A0A087XIP1_POEFO Loading...

endothelin-converting enzyme 1

AlphaFold DB , UniProt , Accession A0A087XIP1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 763 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	28.3	Very low	26.2	Very low	235 Å²	235	165.5 Å²	165.5	100%	1.158	89%	0.891	S	S	*	*				0	92.7	0	-74.2	163.5	61.1	0	0	105.7
2	S	31.4	Very low	26	Very low	116 Å²	116	166.8 Å²	166.8	81%	0.811	89%	0.891	S	S	*	*				46	120.4	54	-153.5	0	0	0	0	113.7
3	V	25.6	Very low	25.9	Very low	143 Å²	143	161.5 Å²	161.5	87%	0.867	88%	0.875	S	S	*	*			trans	91	79.5	179.1	-161.4	0	0	0	0	116
4	A	25.2	Very low	25.9	Very low	102 Å²	102	157.2 Å²	157.2	84%	0.843	86%	0.863	S	S	*	*			trans	-167.2	59.3	142.5	0	0	0	0	0	110.2
5	L	29.2	Very low	25.8	Very low	173 Å²	173	159.6 Å²	159.6	91%	0.906	86%	0.856	S	S	*	*			trans	-139.6	66.9	169	-106	167.2	0	0	0	107.7
6	Q	27.1	Very low	25.8	Very low	187 Å²	187	161.2 Å²	161.2	87%	0.874	85%	0.853	S	S	*	*			trans	-169.6	77.8	171.4	-115.4	166.2	-4.9	0	0	109.5
7	D	24.7	Very low	25.8	Very low	159 Å²	159	166.1 Å²	166.1	85%	0.85	86%	0.857	S	S	*	*			trans	-175.3	97.4	139.7	-101.4	-21.4	0	0	0	110
8	L	25.1	Very low	25.8	Very low	185 Å²	185	160.9 Å²	160.9	97%	0.969	84%	0.843	S	S	*	*			trans	178.6	68.9	142.3	-94.6	159.4	0	0	0	108
9	R	23.6	Very low	25.9	Very low	233 Å²	233	159.7 Å²	159.7	88%	0.879	84%	0.843	S	S	*	*			trans	-140.7	88.5	166	-154.4	-178.6	-165.9	-173.4	5.1	108.4
10	N	23.5	Very low	25.9	Very low	155 Å²	155	160.8 Å²	160.8	83%	0.829	85%	0.848	S	S	*	*			trans	168.9	93.3	151.9	-88.4	-16.6	0	0	0	108.7
11	T	24.2	Very low	25.9	Very low	133 Å²	133	161.3 Å²	161.3	82%	0.816	85%	0.846	S	S	*	*	S	Bend		177.2	137.4	105.9	20.5	0	0	0	0	105.1
12	M	24.3	Very low	26	Very low	180 Å²	180	157.7 Å²	157.7	89%	0.887	83%	0.827	S	S	*	*			cis	-149.9	146.1	19.9	-89.1	168.4	-165.6	0	0	109.4
13	S	24.8	Very low	25.9	Very low	98 Å²	98	159.6 Å²	159.6	69%	0.685	82%	0.823	S	S	*	*			trans	-70.8	139	156.1	-175.9	0	0	0	0	108.2
14	S	25.4	Very low	26.1	Very low	102 Å²	102	161.6 Å²	161.6	71%	0.713	82%	0.823	S	S	*	*				-163.7	128.2	77.6	62.3	0	0	0	0	111.8
15	Y	25	Very low	26.2	Very low	193 Å²	193	160 Å²	160	76%	0.757	82%	0.817	S	S	*	*				52.9	127.4	115.3	-78.7	-105.4	0	0	0	114.5
16	K	25.3	Very low	26.1	Very low	185 Å²	185	156.8 Å²	156.8	80%	0.804	81%	0.808	S	S	*	*			cis	-169.6	144.3	28.8	-138.1	164.3	-171.6	-172.6	0	110
17	R	26.2	Very low	26.3	Very low	244 Å²	244	154.8 Å²	154.8	92%	0.921	80%	0.803	S	S	*	*			trans	-31.9	154.2	153	-111.4	174.1	-172.9	165.3	0.4	113.5
18	A	25.9	Very low	26.5	Very low	74 Å²	74	153 Å²	153	61%	0.612	80%	0.799	S	S	*	*			cis	-169.7	163	26.6	0	0	0	0	0	111.5
19	T	27.9	Very low	27.7	Very low	138 Å²	138	150 Å²	150	85%	0.847	79%	0.79	S	S	*	*			trans	46.5	126.3	140.3	53.2	0	0	0	0	121
20	L	24.4	Very low	28	Very low	180 Å²	180	142.8 Å²	142.8	94%	0.942	78%	0.78	S	S	*	*			trans	-124.1	121.5	159	-87.7	161.7	0	0	0	108.6
21	E	27.6	Very low	28.4	Very low	172 Å²	172	144.8 Å²	144.8	80%	0.804	79%	0.785	S	S	*	*			trans	-127.1	138.2	153.2	-106.4	177.7	179.8	0	0	107.8
22	E	28.8	Very low	28.7	Very low	159 Å²	159	142.7 Å²	142.7	74%	0.743	78%	0.781	S	S	*	*			trans	73.3	126.3	146.4	-68.9	-175.6	167.5	0	0	124.2
23	E	29.7	Very low	29	Very low	156 Å²	156	138.8 Å²	138.8	73%	0.729	78%	0.777	S	S	*	*			trans	81.8	120.9	133.7	-73.3	-170.9	164.7	0	0	123.5
24	E	29.6	Very low	29.4	Very low	186 Å²	186	140 Å²	140	87%	0.869	79%	0.785	S	S	*	*			trans	39	141.8	132.1	-63.4	-164.8	154.6	0	0	122.3
25	G	27.7	Very low	29.7	Very low	69 Å²	69	140.6 Å²	140.6	71%	0.711	79%	0.79	S	S	*	*			trans	133.9	89	142.8	0	0	0	0	0	116.6
26	S	27.8	Very low	30.7	Very low	104 Å²	104	136.3 Å²	136.3	73%	0.727	79%	0.786	S	S	*	*			trans	38.5	144.2	135.4	71.7	0	0	0	0	123.9
27	D	30.3	Very low	31	Very low	145 Å²	145	134.9 Å²	134.9	78%	0.775	79%	0.787	S	S	*	*			trans	91.1	106.3	143.7	-61.6	-23.4	0	0	0	121.2
28	T	30	Very low	31.4	Very low	123 Å²	123	134 Å²	134	76%	0.755	78%	0.784	S	S	*	*			trans	-42.6	172.8	144.1	52.9	0	0	0	0	114.1
29	P	49.2	Very low	31.9	Very low	121 Å²	121	136.8 Å²	136.8	79%	0.786	79%	0.793	S	S	*	*			cis	-148.1	-163.9	19.9	34.4	-8.5	0	0	0	116.3
30	A	30.8	Very low	32.2	Very low	82 Å²	82	138.2 Å²	138.2	68%	0.678	79%	0.79	S	S	*	*			trans	101.3	102.3	155.1	0	0	0	0	0	116.1
31	E	31.8	Very low	32.8	Very low	197 Å²	197	135.9 Å²	135.9	92%	0.921	78%	0.783	S	S	*	*				78.6	136.8	89	-85.3	-171.5	168.8	0	0	112.2
32	A	30.9	Very low	33.1	Very low	88 Å²	88	131 Å²	131	73%	0.727	78%	0.778	S	S	*	*			cis	-166.2	168.5	11.3	0	0	0	0	0	110.8
33	A	31.1	Very low	33.5	Very low	99 Å²	99	133.6 Å²	133.6	82%	0.818	79%	0.787	S	S	*	*			trans	74.3	129	153.4	0	0	0	0	0	117.6
34	S	32.2	Very low	33.8	Very low	122 Å²	122	137.7 Å²	137.7	85%	0.853	80%	0.796	S	S	*	*			cis	-163.6	149.8	36.7	45.7	0	0	0	0	112.6
35	S	32.1	Very low	34.5	Very low	115 Å²	115	139 Å²	139	80%	0.804	80%	0.799	S	S	*	*			trans	-72.6	178.3	173.6	-117.1	0	0	0	0	112.7
36	P	46	Very low	34.8	Very low	104 Å²	104	138.7 Å²	138.7	68%	0.675	80%	0.795	S	S	*	*			cis	-135.2	-177.1	23	42.1	-21.3	0	0	0	112.9
37	D	32.3	Very low	35.5	Very low	155 Å²	155	137.8 Å²	137.8	83%	0.829	80%	0.802	S	S	*	*			cis	-154.3	146.5	28.2	-99.3	-47	0	0	0	109.9
38	R	32.9	Very low	36.1	Very low	225 Å²	225	136.7 Å²	136.7	85%	0.849	80%	0.801	S	S	*	*			trans	-104.6	131.2	173.2	-120.2	-178.2	176.8	-174	-0.2	108.5
39	V	36.2	Very low	36.9	Very low	132 Å²	132	137.7 Å²	137.7	80%	0.8	80%	0.802	S	S	*	*			trans	-111.1	111	161.7	178	0	0	0	0	108.3
40	E	35.3	Very low	37.1	Very low	168 Å²	168	137.8 Å²	137.8	79%	0.785	79%	0.794	S	S	*	*			trans	-74.9	134	166.8	-70	-179.8	155.1	0	0	109.7
41	V	36.8	Very low	38.1	Very low	132 Å²	132	141.7 Å²	141.7	80%	0.8	80%	0.803	S	S	*	*			trans	-112.9	108.1	165.6	-174.2	0	0	0	0	108
42	G	34.6	Very low	38.9	Very low	68 Å²	68	134.8 Å²	134.8	70%	0.701	79%	0.785	S	S	*	*			trans	-70.8	138.9	176.9	0	0	0	0	0	112.7	R44	G42-R44 PolarHBondContact O-N 2.61Å
43	F	36.7	Very low	40.3	Very low	214 Å²	214	142.8 Å²	142.8	94%	0.939	80%	0.796	S	S	*	*			trans	-71.8	108	168.4	-83.9	-91.7	0	0	0	110.4
44	R	36	Very low	41.5	Very low	243 Å²	243	144.7 Å²	144.7	92%	0.917	78%	0.782	S	S	*	*			trans	-82.4	115.6	159.2	-89.4	-177.6	171.2	-179.6	-1.9	109	G42 G46	G42-R44 PolarHBondContact O-N 2.61Å; R44-G46 PolarHBondContact O-N 3.4Å
45	K	43.3	Very low	43.3	Very low	214 Å²	214	142.8 Å²	142.8	93%	0.93	77%	0.765	S	S	*	*			trans	-65.9	93.1	161.1	-87.9	178.9	173.5	175.8	0	108.8
46	G	34.7	Very low	45.1	Very low	61 Å²	61	145.9 Å²	145.9	63%	0.629	77%	0.767	S	S	*	*			trans	-91.3	109.8	160.4	0	0	0	0	0	108.7	R44 V48	R44-G46 PolarHBondContact O-N 3.4Å; G46-V48 PolarHBondContact O-N 2.91Å
47	G	41.7	Very low	46.4	Very low	85 Å²	85	146.6 Å²	146.6	88%	0.876	76%	0.764	S	S	*	*			trans	-66	111.3	165.8	0	0	0	0	0	108.6
48	V	43	Very low	48.3	Very low	122 Å²	122	143.8 Å²	143.8	74%	0.739	75%	0.747	S	S	*	*			trans	-86.8	113.3	168.6	179.8	0	0	0	0	106.7	G46 I50	G46-V48 PolarHBondContact O-N 2.91Å; V48-I50 HydrophobicContact CG1-CG1 4.36Å; V48-I50 PolarHBondContact O-N 3.38Å
49	D	48.4	Very low	50.2	Low	145 Å²	145	136.6 Å²	136.6	78%	0.775	73%	0.727	S	S	*	*			trans	-73.4	104.6	173.6	-159.9	-2.7	0	0	0	108.7	L51	D49-L51 PolarHBondContact O-N 3.36Å
50	I	52.2	Low	52.3	Low	122 Å²	122	135.3 Å²	135.3	63%	0.626	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-0.5	-169.5	-69.2	171.4	0	0	0	112.8	V48	V48-I50 HydrophobicContact CG1-CG1 4.36Å; V48-I50 PolarHBondContact O-N 3.38Å
51	L	51.3	Low	54.5	Low	164 Å²	164	131.8 Å²	131.8	86%	0.859	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	39.9	-175.7	-85.6	127.7	0	0	0	114.4	D49	D49-L51 PolarHBondContact O-N 3.36Å
52	G	49.9	Very low	56.5	Low	53 Å²	53	127.9 Å²	127.9	55%	0.546	68%	0.68	S	S	.	*	S	Bend	trans	-71	137.3	161.5	0	0	0	0	0	111.5	R54	G52-R54 PolarHBondContact O-N 2.91Å
53	R	59.7	Low	58.9	Low	256 Å²	256	128.9 Å²	128.9	97%	0.966	67%	0.672	S	S	*	*			trans	-47.7	96	179.1	-82.4	177.1	166.4	174.6	-4.3	111.9
54	R	56.3	Low	61.2	Low	139 Å²	139	124.2 Å²	124.2	53%	0.525	66%	0.655	S	S	.	*			trans	-70.3	135.5	171	-65.6	-173.6	-173.8	-171.2	1.8	109.2	G52 E58 V59	G52-R54 PolarHBondContact O-N 2.91Å; R54-E58 WeakPolarHBondContact CA-OE2 3.41Å; R54-E58 HydrophobicContact CB-CB 4.15Å; R54-V59 HydrophobicContact CB-CG2 3.94Å
55	T	69.9	Low	63.7	Low	82 Å²	82	118.1 Å²	118.1	50%	0.503	64%	0.64	S	S	.	*			trans	-64.6	152.9	174.7	57.6	0	0	0	0	109.8	L57 E58 V59	T55-L57 PolarHBondContact O-N 3.25Å; T55-E58 PolarHBondContact N-OE2 3.19Å; T55-E58 PolarHBondContact O-N 3.38Å; T55-E58 WeakPolarHBondContact OG1-CG 3.42Å; T55-E58 PolarHBondContact OG1-OE2 3.29Å; T55-E58 VanDerWaalsContact OG1-OE2 3.13Å; T55-V59 PolarHBondContact O-N 3.02Å
56	Q	70.1	Confident	65.8	Low	180 Å²	180	113 Å²	113	84%	0.841	62%	0.622	S	S	*	*	H	α-helix	trans	-55.6	-29.1	-178.9	-74.6	-155.4	-9.6	0	0	112.7	L60	Q56-L60 WeakPolarHBondContact O-CB 3.47Å; Q56-L60 PolarHBondContact O-N 3.17Å
57	L	73.4	Confident	68.4	Low	118 Å²	118	112.8 Å²	112.8	62%	0.618	61%	0.614	S	S	*	*	H	α-helix	trans	-66.7	-41.7	175.5	-162.5	79.7	0	0	0	112.5	T55 L60 L61	T55-L57 PolarHBondContact O-N 3.25Å; L57-L60 PolarHBondContact O-N 3.46Å; L57-L61 HydrophobicContact CD2-CD1 4.45Å; L57-L61 HydrophobicContact CG-CD1 4.19Å; L57-L61 WeakPolarHBondContact O-CB 3.45Å; L57-L61 VanDerWaalsContact O-CG 3.31Å; L57-L61 WeakPolarHBondContact O-CG 3.22Å; L57-L61 PolarHBondContact O-N 3.13Å
58	E	71.3	Confident	70.6	Confident	97 Å²	97	111.6 Å²	111.6	45%	0.453	60%	0.596	S	S	.	*	H	α-helix	trans	-68.9	-35.3	178.5	-73.2	168.7	147.7	0	0	112	R54 T55 S62	R54-E58 WeakPolarHBondContact CA-OE2 3.41Å; R54-E58 HydrophobicContact CB-CB 4.15Å; T55-E58 PolarHBondContact N-OE2 3.19Å; T55-E58 PolarHBondContact O-N 3.38Å; T55-E58 WeakPolarHBondContact OG1-CG 3.42Å; T55-E58 PolarHBondContact OG1-OE2 3.29Å; T55-E58 VanDerWaalsContact OG1-OE2 3.13Å; E58-S62 VanDerWaalsContact O-CB 3.29Å; E58-S62 WeakPolarHBondContact O-CB 3.5Å; E58-S62 PolarHBondContact O-N 3.05Å; E58-S62 PolarHBondContact O-OG 2.67Å
59	V	74.1	Confident	72.9	Confident	73 Å²	73	110.5 Å²	110.5	44%	0.442	59%	0.585	S	S	.	*	H	α-helix	trans	-66.6	-45.6	173.2	178.8	0	0	0	0	110.1	R54 T55 L61 S62 V63	R54-V59 HydrophobicContact CB-CG2 3.94Å; T55-V59 PolarHBondContact O-N 3.02Å; V59-L61 PolarHBondContact O-N 2.71Å; V59-S62 PolarHBondContact O-N 3.1Å; V59-V63 HydrophobicContact CG1-CG2 4.49Å; V59-V63 VanDerWaalsContact O-CG2 3.28Å; V59-V63 WeakPolarHBondContact O-CG2 3.4Å; V59-V63 PolarHBondContact O-N 2.98Å
60	L	80.7	Confident	75	Confident	105 Å²	105	108.6 Å²	108.6	55%	0.55	58%	0.575	S	S	.	*	H	α-helix	trans	-61.3	-45.3	177.5	-165.4	83	0	0	0	111.8	Q56 L57 V63 M64	Q56-L60 WeakPolarHBondContact O-CB 3.47Å; Q56-L60 PolarHBondContact O-N 3.17Å; L57-L60 PolarHBondContact O-N 3.46Å; L60-V63 PolarHBondContact O-N 3.26Å; L60-M64 WeakPolarHBondContact O-CG 3.46Å; L60-M64 PolarHBondContact O-N 3.06Å
61	L	81	Confident	76.8	Confident	95 Å²	95	105.4 Å²	105.4	50%	0.497	57%	0.567	S	S	.	*	H	α-helix	trans	-65.4	-38.4	177.2	-74.3	168.4	0	0	0	112	L57 V59 M64 L65	L57-L61 HydrophobicContact CD2-CD1 4.45Å; L57-L61 HydrophobicContact CG-CD1 4.19Å; L57-L61 WeakPolarHBondContact O-CB 3.45Å; L57-L61 VanDerWaalsContact O-CG 3.31Å; L57-L61 WeakPolarHBondContact O-CG 3.22Å; L57-L61 PolarHBondContact O-N 3.13Å; V59-L61 PolarHBondContact O-N 2.71Å; L61-M64 PolarHBondContact O-N 3.42Å; L61-L65 VanDerWaalsContact O-CB 3.28Å; L61-L65 WeakPolarHBondContact O-CB 3.25Å; L61-L65 PolarHBondContact O-N 3.47Å
62	S	79.4	Confident	78.7	Confident	50 Å²	50	102.7 Å²	102.7	35%	0.35	55%	0.552	S	S	.	*	H	α-helix	trans	-64.9	-40.3	175.3	-58.4	0	0	0	0	111.7	E58 V59 L66	E58-S62 VanDerWaalsContact O-CB 3.29Å; E58-S62 WeakPolarHBondContact O-CB 3.5Å; E58-S62 PolarHBondContact O-N 3.05Å; E58-S62 PolarHBondContact O-OG 2.67Å; V59-S62 PolarHBondContact O-N 3.1Å; S62-L66 WeakPolarHBondContact O-CB 3.21Å; S62-L66 PolarHBondContact O-N 2.67Å
63	V	83.5	Confident	80.6	Confident	88 Å²	88	106.8 Å²	106.8	53%	0.533	56%	0.555	S	S	.	*	H	α-helix	trans	-68.1	-42.2	176.5	171.9	0	0	0	0	111	V59 L60 L66 A67	V59-V63 HydrophobicContact CG1-CG2 4.49Å; V59-V63 VanDerWaalsContact O-CG2 3.28Å; V59-V63 WeakPolarHBondContact O-CG2 3.4Å; V59-V63 PolarHBondContact O-N 2.98Å; L60-V63 PolarHBondContact O-N 3.26Å; V63-L66 PolarHBondContact O-N 2.68Å; V63-A67 VanDerWaalsContact O-CB 3.32Å; V63-A67 WeakPolarHBondContact O-CB 3.29Å; V63-A67 PolarHBondContact O-N 3.06Å
64	M	85.1	Confident	82	Confident	116 Å²	116	97 Å²	97	57%	0.571	53%	0.529	S	S	*	.	H	α-helix	trans	-66.5	-38.4	175.9	-71.2	-143.3	-64.5	0	0	112.4	L60 L61 A67 A68	L60-M64 WeakPolarHBondContact O-CG 3.46Å; L60-M64 PolarHBondContact O-N 3.06Å; L61-M64 PolarHBondContact O-N 3.42Å; M64-A67 PolarHBondContact O-N 3.46Å; M64-A68 VanDerWaalsContact O-CB 3.31Å; M64-A68 WeakPolarHBondContact O-CB 3.5Å; M64-A68 PolarHBondContact O-N 2.95Å
65	L	88	Confident	83.5	Confident	115 Å²	115	94 Å²	94	60%	0.602	53%	0.529	S	S	*	.	H	α-helix	trans	-64.9	-43.1	174.7	-171.1	74.5	0	0	0	111.1	L61 A68 L69	L61-L65 VanDerWaalsContact O-CB 3.28Å; L61-L65 WeakPolarHBondContact O-CB 3.25Å; L61-L65 PolarHBondContact O-N 3.47Å; L65-A68 PolarHBondContact O-N 3.15Å; L65-L69 HydrophobicContact CG-CD1 4.17Å; L65-L69 WeakPolarHBondContact O-CB 3.18Å; L65-L69 VanDerWaalsContact O-CG 3.27Å; L65-L69 WeakPolarHBondContact O-CG 3.37Å; L65-L69 PolarHBondContact O-N 3.02Å
66	L	88.1	Confident	84.4	Confident	108 Å²	108	95.1 Å²	95.1	57%	0.565	53%	0.531	S	S	*	.	H	α-helix	trans	-64.4	-42.1	176.2	-164.6	78.4	0	0	0	111.3	S62 V63 L69 L70	S62-L66 WeakPolarHBondContact O-CB 3.21Å; S62-L66 PolarHBondContact O-N 2.67Å; V63-L66 PolarHBondContact O-N 2.68Å; L66-L69 PolarHBondContact O-N 3.21Å; L66-L70 HydrophobicContact CG-CD1 4.21Å; L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 VanDerWaalsContact O-CG 3.25Å; L66-L70 WeakPolarHBondContact O-CG 3.29Å; L66-L70 PolarHBondContact O-N 2.97Å
67	A	88.6	Confident	85.1	Confident	56 Å²	56	89.3 Å²	89.3	46%	0.463	51%	0.508	S	S	.	.	H	α-helix	trans	-63.7	-40.9	175.3	0	0	0	0	0	111.9	V63 M64 L70 A71	V63-A67 VanDerWaalsContact O-CB 3.32Å; V63-A67 WeakPolarHBondContact O-CB 3.29Å; V63-A67 PolarHBondContact O-N 3.06Å; M64-A67 PolarHBondContact O-N 3.46Å; A67-L70 PolarHBondContact O-N 2.76Å; A67-A71 VanDerWaalsContact O-CB 3.29Å; A67-A71 WeakPolarHBondContact O-CB 3.43Å; A67-A71 PolarHBondContact O-N 2.95Å
68	A	89.6	Confident	85.5	Confident	59 Å²	59	88.6 Å²	88.6	49%	0.488	51%	0.508	S	S	.	.	H	α-helix	trans	-66.1	-41.4	175.4	0	0	0	0	0	112	M64 L65 A71 L72	M64-A68 VanDerWaalsContact O-CB 3.31Å; M64-A68 WeakPolarHBondContact O-CB 3.5Å; M64-A68 PolarHBondContact O-N 2.95Å; L65-A68 PolarHBondContact O-N 3.15Å; A68-A71 PolarHBondContact O-N 3.12Å; A68-L72 WeakPolarHBondContact O-CB 3.41Å; A68-L72 PolarHBondContact O-N 2.84Å
69	L	91.5	Very high	85.8	Confident	99 Å²	99	88.5 Å²	88.5	52%	0.518	51%	0.51	S	S	.	.	H	α-helix	trans	-66.8	-39.5	175.8	-74.2	168.7	0	0	0	112.1	L65 L66 L72 F73	L65-L69 HydrophobicContact CG-CD1 4.17Å; L65-L69 WeakPolarHBondContact O-CB 3.18Å; L65-L69 VanDerWaalsContact O-CG 3.27Å; L65-L69 WeakPolarHBondContact O-CG 3.37Å; L65-L69 PolarHBondContact O-N 3.02Å; L66-L69 PolarHBondContact O-N 3.21Å; L69-L72 PolarHBondContact O-N 3.5Å; L69-F73 VanDerWaalsContact O-CB 3.32Å; L69-F73 WeakPolarHBondContact O-CB 3.5Å; L69-F73 PolarHBondContact O-N 2.87Å
70	L	91.3	Very high	85.7	Confident	106 Å²	106	86.7 Å²	86.7	56%	0.555	51%	0.506	S	S	*	.	H	α-helix	trans	-67.5	-39	174.6	-74.9	168.9	0	0	0	111.7	L66 A67 F73 A74	L66-L70 HydrophobicContact CG-CD1 4.21Å; L66-L70 WeakPolarHBondContact O-CB 3.41Å; L66-L70 VanDerWaalsContact O-CG 3.25Å; L66-L70 WeakPolarHBondContact O-CG 3.29Å; L66-L70 PolarHBondContact O-N 2.97Å; A67-L70 PolarHBondContact O-N 2.76Å; L70-F73 PolarHBondContact O-N 3Å; L70-A74 VanDerWaalsContact O-CB 3.29Å; L70-A74 WeakPolarHBondContact O-CB 3.43Å; L70-A74 PolarHBondContact O-N 3.25Å
71	A	90.6	Very high	85.1	Confident	55 Å²	55	87 Å²	87	46%	0.455	51%	0.508	S	S	.	.	H	α-helix	trans	-66.1	-40	173.4	0	0	0	0	0	111.6	A67 A68 A74 C75	A67-A71 VanDerWaalsContact O-CB 3.29Å; A67-A71 WeakPolarHBondContact O-CB 3.43Å; A67-A71 PolarHBondContact O-N 2.95Å; A68-A71 PolarHBondContact O-N 3.12Å; A71-A74 PolarHBondContact O-N 3.45Å; A71-C75 WeakPolarHBondContact O-CB 3.34Å; A71-C75 PolarHBondContact O-N 2.78Å
72	L	91.1	Very high	83.8	Confident	107 Å²	107	84.8 Å²	84.8	56%	0.56	51%	0.507	S	S	*	.	H	α-helix	trans	-64.9	-43.4	174.8	-159.2	93.5	0	0	0	111	A68 L69 C75 L76	A68-L72 WeakPolarHBondContact O-CB 3.41Å; A68-L72 PolarHBondContact O-N 2.84Å; L69-L72 PolarHBondContact O-N 3.5Å; L72-C75 PolarHBondContact O-N 3.38Å; L72-L76 HydrophobicContact CD2-CD1 4.24Å; L72-L76 HydrophobicContact CG-CD1 4.42Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 VanDerWaalsContact O-CG 3.27Å; L72-L76 WeakPolarHBondContact O-CG 3.37Å; L72-L76 PolarHBondContact O-N 2.94Å
73	F	90.3	Very high	82.7	Confident	138 Å²	138	90.1 Å²	90.1	61%	0.605	53%	0.525	S	S	*	.	H	α-helix	trans	-63.7	-43.4	175.4	-176	-101	0	0	0	111.3	L69 L70 C75 L76 V77	L69-F73 VanDerWaalsContact O-CB 3.32Å; L69-F73 WeakPolarHBondContact O-CB 3.5Å; L69-F73 PolarHBondContact O-N 2.87Å; L70-F73 PolarHBondContact O-N 3Å; F73-C75 PolarHBondContact O-N 3.29Å; F73-L76 CarbonylContact O-C 3.6Å; F73-L76 PolarHBondContact O-N 3.34Å; F73-V77 HydrophobicContact CD1-CG2 4.04Å; F73-V77 HydrophobicContact CE1-CG2 3.7Å; F73-V77 HydrophobicContact CE2-CG2 4.31Å; F73-V77 HydrophobicContact CG-CG2 4.49Å; F73-V77 HydrophobicContact CZ-CG2 3.85Å; F73-V77 WeakPolarHBondContact O-CB 3.22Å; F73-V77 VanDerWaalsContact O-CG2 3.25Å; F73-V77 WeakPolarHBondContact O-CG2 3.48Å; F73-V77 PolarHBondContact O-N 3.15Å
74	A	88.9	Confident	81	Confident	50 Å²	50	89.7 Å²	89.7	41%	0.413	53%	0.526	S	S	.	.	H	α-helix	trans	-62.2	-42.1	174	0	0	0	0	0	111.7	L70 A71 V77 V78	L70-A74 VanDerWaalsContact O-CB 3.29Å; L70-A74 WeakPolarHBondContact O-CB 3.43Å; L70-A74 PolarHBondContact O-N 3.25Å; A71-A74 PolarHBondContact O-N 3.45Å; A74-V77 PolarHBondContact O-N 2.66Å; A74-V78 WeakPolarHBondContact O-CB 3.32Å; A74-V78 VanDerWaalsContact O-CG2 3.23Å; A74-V78 WeakPolarHBondContact O-CG2 3.33Å; A74-V78 PolarHBondContact O-N 3.04Å
75	C	88.3	Confident	79	Confident	77 Å²	77	88.8 Å²	88.8	52%	0.52	53%	0.531	S	S	.	.	H	α-helix	trans	-62.5	-41.6	172.6	-87.5	0	0	0	0	112.2	A71 L72 F73 V78 L79	A71-C75 WeakPolarHBondContact O-CB 3.34Å; A71-C75 PolarHBondContact O-N 2.78Å; L72-C75 PolarHBondContact O-N 3.38Å; F73-C75 PolarHBondContact O-N 3.29Å; C75-V78 PolarHBondContact O-N 2.84Å; C75-L79 VanDerWaalsContact O-CB 3.23Å; C75-L79 WeakPolarHBondContact O-CB 3.29Å; C75-L79 WeakPolarHBondContact O-CD1 3.24Å; C75-L79 VanDerWaalsContact O-CG 3.31Å; C75-L79 WeakPolarHBondContact O-CG 3.2Å; C75-L79 PolarHBondContact O-N 2.86Å
76	L	87.4	Confident	76.9	Confident	105 Å²	105	89.3 Å²	89.3	55%	0.55	53%	0.534	S	S	.	.	H	α-helix	trans	-68.2	-34	176.6	-73.9	168.8	0	0	0	112.2	L72 F73 G80	L72-L76 HydrophobicContact CD2-CD1 4.24Å; L72-L76 HydrophobicContact CG-CD1 4.42Å; L72-L76 WeakPolarHBondContact O-CB 3.45Å; L72-L76 VanDerWaalsContact O-CG 3.27Å; L72-L76 WeakPolarHBondContact O-CG 3.37Å; L72-L76 PolarHBondContact O-N 2.94Å; F73-L76 CarbonylContact O-C 3.6Å; F73-L76 PolarHBondContact O-N 3.34Å; L76-G80 WeakPolarHBondContact O-CA 3.38Å; L76-G80 PolarHBondContact O-N 3.36Å
77	V	85.1	Confident	74.9	Confident	59 Å²	59	89 Å²	89	36%	0.358	54%	0.541	S	S	.	.	H	α-helix	trans	-71.4	-42	173	169.8	0	0	0	0	110.4	F73 A74 G80 L81	F73-V77 HydrophobicContact CD1-CG2 4.04Å; F73-V77 HydrophobicContact CE1-CG2 3.7Å; F73-V77 HydrophobicContact CE2-CG2 4.31Å; F73-V77 HydrophobicContact CG-CG2 4.49Å; F73-V77 HydrophobicContact CZ-CG2 3.85Å; F73-V77 WeakPolarHBondContact O-CB 3.22Å; F73-V77 VanDerWaalsContact O-CG2 3.25Å; F73-V77 WeakPolarHBondContact O-CG2 3.48Å; F73-V77 PolarHBondContact O-N 3.15Å; A74-V77 PolarHBondContact O-N 2.66Å; V77-G80 PolarHBondContact O-N 3.19Å; V77-L81 HydrophobicContact CG1-CD1 3.7Å; V77-L81 HydrophobicContact CG1-CG 4.22Å; V77-L81 WeakPolarHBondContact O-CB 3.3Å; V77-L81 WeakPolarHBondContact O-CG 3.28Å; V77-L81 PolarHBondContact O-N 3.18Å
78	V	82.3	Confident	72.9	Confident	102 Å²	102	89.8 Å²	89.8	62%	0.618	56%	0.555	S	S	*	*	H	α-helix	trans	-66.9	-39.8	175.4	170.5	0	0	0	0	111.3	A74 C75 G82	A74-V78 WeakPolarHBondContact O-CB 3.32Å; A74-V78 VanDerWaalsContact O-CG2 3.23Å; A74-V78 WeakPolarHBondContact O-CG2 3.33Å; A74-V78 PolarHBondContact O-N 3.04Å; C75-V78 PolarHBondContact O-N 2.84Å; V78-G82 WeakPolarHBondContact O-CA 3.43Å; V78-G82 PolarHBondContact O-N 3.39Å
79	L	77.9	Confident	71.5	Confident	96 Å²	96	97.5 Å²	97.5	50%	0.503	57%	0.571	S	S	.	*	H	α-helix	trans	-66.3	-43.7	171.6	-79.3	160.1	0	0	0	110.9	C75 L81 G82 F83	C75-L79 VanDerWaalsContact O-CB 3.23Å; C75-L79 WeakPolarHBondContact O-CB 3.29Å; C75-L79 WeakPolarHBondContact O-CD1 3.24Å; C75-L79 VanDerWaalsContact O-CG 3.31Å; C75-L79 WeakPolarHBondContact O-CG 3.2Å; C75-L79 PolarHBondContact O-N 2.86Å; L79-L81 PolarHBondContact O-N 2.9Å; L79-G82 CarbonylContact O-C 3.59Å; L79-G82 PolarHBondContact O-N 2.89Å; L79-F83 HydrophobicContact CD2-CE2 4.26Å; L79-F83 WeakPolarHBondContact O-CB 3.12Å; L79-F83 VanDerWaalsContact O-CD2 3.24Å; L79-F83 WeakPolarHBondContact O-CD2 3.27Å; L79-F83 PolarHBondContact O-N 3.06Å
80	G	70.9	Confident	70.8	Confident	34 Å²	34	94.3 Å²	94.3	35%	0.351	56%	0.562	S	S	.	*	H	α-helix	trans	-65.1	-36.9	177.4	0	0	0	0	0	113.2	L76 V77 S84	L76-G80 WeakPolarHBondContact O-CA 3.38Å; L76-G80 PolarHBondContact O-N 3.36Å; V77-G80 PolarHBondContact O-N 3.19Å; G80-S84 WeakPolarHBondContact O-CB 3.37Å; G80-S84 PolarHBondContact O-N 3.32Å; G80-S84 PolarHBondContact O-OG 2.83Å
81	L	67.7	Low	70.8	Confident	113 Å²	113	93.7 Å²	93.7	59%	0.592	56%	0.559	S	S	*	*	H	α-helix	trans	-74.2	-34.1	172.2	-69.7	171.1	0	0	0	111.5	V77 L79 S85	V77-L81 HydrophobicContact CG1-CD1 3.7Å; V77-L81 HydrophobicContact CG1-CG 4.22Å; V77-L81 WeakPolarHBondContact O-CB 3.3Å; V77-L81 WeakPolarHBondContact O-CG 3.28Å; V77-L81 PolarHBondContact O-N 3.18Å; L79-L81 PolarHBondContact O-N 2.9Å; L81-S85 VanDerWaalsContact O-CB 3.27Å; L81-S85 WeakPolarHBondContact O-CB 3.45Å; L81-S85 PolarHBondContact O-N 2.9Å
82	G	54.6	Low	70.9	Confident	47 Å²	47	92.1 Å²	92.1	49%	0.485	54%	0.544	S	S	.	.	H	α-helix	trans	-68	-39.2	173.6	0	0	0	0	0	113.2	V78 L79	V78-G82 WeakPolarHBondContact O-CA 3.43Å; V78-G82 PolarHBondContact O-N 3.39Å; L79-G82 CarbonylContact O-C 3.59Å; L79-G82 PolarHBondContact O-N 2.89Å
83	F	55.5	Low	71.1	Confident	162 Å²	162	93.2 Å²	93.2	71%	0.711	55%	0.55	S	S	*	.	H	α-helix	trans	-76.9	-32.3	172.9	-84.1	-74.4	0	0	0	112.5	L79 S85	L79-F83 HydrophobicContact CD2-CE2 4.26Å; L79-F83 WeakPolarHBondContact O-CB 3.12Å; L79-F83 VanDerWaalsContact O-CD2 3.24Å; L79-F83 WeakPolarHBondContact O-CD2 3.27Å; L79-F83 PolarHBondContact O-N 3.06Å; F83-S85 VanDerWaalsContact C-N 3.3Å
84	S	47.6	Very low	71.3	Confident	80 Å²	80	89.3 Å²	89.3	56%	0.559	54%	0.539	S	S	*	.	H	α-helix	trans	-71.3	-26.5	172.6	-65.2	0	0	0	0	112.4	G80 D86 S87	G80-S84 WeakPolarHBondContact O-CB 3.37Å; G80-S84 PolarHBondContact O-N 3.32Å; G80-S84 PolarHBondContact O-OG 2.83Å; S84-D86 VanDerWaalsContact C-N 3.26Å; S84-D86 PolarHBondContact O-N 2.93Å; S84-S87 WeakPolarHBondContact O-CB 3.15Å; S84-S87 PolarHBondContact O-N 3.02Å; S84-S87 PolarHBondContact O-OG 2.91Å
85	S	43.8	Very low	71.6	Confident	97 Å²	97	94.8 Å²	94.8	68%	0.678	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-14.8	177.9	-176	0	0	0	0	114.1	L81 F83	L81-S85 VanDerWaalsContact O-CB 3.27Å; L81-S85 WeakPolarHBondContact O-CB 3.45Å; L81-S85 PolarHBondContact O-N 2.9Å; F83-S85 VanDerWaalsContact C-N 3.3Å
86	D	44.6	Very low	71.8	Confident	126 Å²	126	92 Å²	92	67%	0.674	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-2.1	176.9	-146.6	18.9	0	0	0	112.9	S84 G88	S84-D86 VanDerWaalsContact C-N 3.26Å; S84-D86 PolarHBondContact O-N 2.93Å; D86-G88 PolarHBondContact O-N 2.9Å; D86-G88 VanDerWaalsContact O-N 3.1Å
87	S	44.7	Very low	72.1	Confident	102 Å²	102	87.1 Å²	87.1	71%	0.713	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	1.6	177.3	-60.3	0	0	0	0	113.8	S84	S84-S87 WeakPolarHBondContact O-CB 3.15Å; S84-S87 PolarHBondContact O-N 3.02Å; S84-S87 PolarHBondContact O-OG 2.91Å
88	G	47.5	Very low	72.6	Confident	72 Å²	72	87.8 Å²	87.8	74%	0.742	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	2.5	-177.9	0	0	0	0	0	116.3	D86	D86-G88 PolarHBondContact O-N 2.9Å; D86-G88 VanDerWaalsContact O-N 3.1Å
89	R	60	Low	73.3	Confident	221 Å²	221	86.2 Å²	86.2	83%	0.834	51%	0.508	S	S	*	.	S	Bend	trans	-129.1	50.8	174.9	-75.6	-177.8	169.8	163.9	-1.9	111.4
90	G	76.7	Confident	74.1	Confident	31 Å²	31	82 Å²	82	32%	0.32	49%	0.487	S	S	.	.			trans	-66.2	139.5	-169.8	0	0	0	0	0	114.5	K686 R687	G90-K686 WeakPolarHBondContact O-CA 3.45Å; G90-K686 VanDerWaalsContact O-CB 3.3Å; G90-K686 WeakPolarHBondContact O-CB 3.16Å; G90-R687 PolarHBondContact O-N 2.79Å
91	L	91.1	Very high	75.3	Confident	94 Å²	94	80.5 Å²	80.5	49%	0.492	47%	0.471	S	S	.	.	B	Isolated β-bridge	trans	-74.2	146.3	162	-64.4	174.6	0	0	0	109.9	L93 R687 P689	L91-L93 HydrophobicContact CB-CD2 4.15Å; L91-L93 HydrophobicContact CB-CG 4.39Å; L91-R687 CarbonylContact C-O 3.56Å; L91-R687 WeakPolarHBondContact CA-O 3.39Å; L91-R687 HydrophobicContact CD2-CB 4.22Å; L91-P689 HydrophobicContact CD1-CB 4.48Å
92	C	93.5	Very high	76.7	Confident	22 Å²	22	78 Å²	78	15%	0.149	46%	0.462	C	S	.	.			trans	-82.1	114.7	169.2	-173.4	0	0	0	0	109.2	S94 C97 K686 R687 P689	C92-S94 PolarHBondContact SG-OG 2.8Å; C92-S94 VanDerWaalsContact SG-OG 3.4Å; C92-C97 HydrophobicContact CB-CB 3.57Å; C92-C97 WeakPolarHBondContact CB-SG 3.48Å; C92-C97 WeakPolarHBondContact O-CB 3.36Å; C92-C97 WeakPolarHBondContact SG-CB 3.18Å; C92-C97 CovalentContact SG-SG 2.03Å; C92-C97 PolarHBondContact SG-SG 3.2Å; C92-K686 HydrophobicContact CB-CB 3.9Å; C92-R687 PolarHBondContact N-O 3.38Å; C92-P689 VanDerWaalsContact O-CD 3.26Å; C92-P689 WeakPolarHBondContact O-CD 3.47Å
93	L	94.4	Very high	78.6	Confident	130 Å²	130	80.9 Å²	80.9	68%	0.681	46%	0.464	S	S	*	.			trans	-114.2	18.8	-177.8	-58	178.8	0	0	0	112.5	L91 P689	L91-L93 HydrophobicContact CB-CD2 4.15Å; L91-L93 HydrophobicContact CB-CG 4.39Å; L93-P689 HydrophobicContact CD2-CB 4.25Å; L93-P689 HydrophobicContact CD2-CG 4.4Å
94	S	94.8	Very high	80.6	Confident	55 Å²	55	73.4 Å²	73.4	39%	0.385	43%	0.431	S	S	.	.	S	Bend	trans	-64.6	156.4	167.5	62.8	0	0	0	0	109.9	C92 A96 C97 V98	C92-S94 PolarHBondContact SG-OG 2.8Å; C92-S94 VanDerWaalsContact SG-OG 3.4Å; S94-A96 VanDerWaalsContact C-N 3.29Å; S94-A96 PolarHBondContact O-N 3.28Å; S94-C97 PolarHBondContact O-N 2.94Å; S94-C97 VanDerWaalsContact O-N 3.15Å; S94-C97 WeakPolarHBondContact OG-CB 3.43Å; S94-C97 PolarHBondContact OG-N 3.37Å; S94-C97 PolarHBondContact OG-SG 3.49Å; S94-V98 WeakPolarHBondContact O-CG2 3.29Å; S94-V98 PolarHBondContact O-N 2.93Å
95	E	94.4	Very high	82.9	Confident	166 Å²	166	72 Å²	72	78%	0.776	42%	0.419	S	S	*	.	H	α-helix	trans	-54.1	-47.2	176.8	-176.3	176.2	174.6	0	0	111.6	C97 V98 T99	E95-C97 PolarHBondContact O-N 3.05Å; E95-V98 PolarHBondContact O-N 3.04Å; E95-T99 WeakPolarHBondContact O-CB 3.4Å; E95-T99 PolarHBondContact O-N 3.33Å; E95-T99 PolarHBondContact O-OG1 3.49Å; E95-T99 VanDerWaalsContact O-OG1 3.06Å
96	A	92.3	Very high	85.4	Confident	18 Å²	18	72 Å²	72	15%	0.149	41%	0.408	C	S	.	.	H	α-helix	trans	-54.8	-47.9	175.9	0	0	0	0	0	112.6	S94 V98 T99 V100 D584	S94-A96 VanDerWaalsContact C-N 3.29Å; S94-A96 PolarHBondContact O-N 3.28Å; A96-V98 PolarHBondContact O-N 3.01Å; A96-T99 PolarHBondContact O-N 3.42Å; A96-V100 WeakPolarHBondContact O-CB 3.3Å; A96-V100 VanDerWaalsContact O-CG1 3.31Å; A96-V100 WeakPolarHBondContact O-CG1 3.24Å; A96-V100 PolarHBondContact O-N 3.46Å; A96-D584 HydrophobicContact CB-CB 4Å; A96-D584 WeakPolarHBondContact CB-OD2 3.37Å
97	C	95.1	Very high	87.9	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.02	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-38.2	178.6	-77.7	0	0	0	0	113	C92 S94 E95 A101 L688	C92-C97 HydrophobicContact CB-CB 3.57Å; C92-C97 WeakPolarHBondContact CB-SG 3.48Å; C92-C97 WeakPolarHBondContact O-CB 3.36Å; C92-C97 WeakPolarHBondContact SG-CB 3.18Å; C92-C97 CovalentContact SG-SG 2.03Å; C92-C97 PolarHBondContact SG-SG 3.2Å; S94-C97 PolarHBondContact O-N 2.94Å; S94-C97 VanDerWaalsContact O-N 3.15Å; S94-C97 WeakPolarHBondContact OG-CB 3.43Å; S94-C97 PolarHBondContact OG-N 3.37Å; S94-C97 PolarHBondContact OG-SG 3.49Å; E95-C97 PolarHBondContact O-N 3.05Å; C97-A101 WeakPolarHBondContact O-CB 3.44Å; C97-A101 PolarHBondContact O-N 3.42Å; C97-L688 HydrophobicContact CB-CD2 3.71Å
98	V	96.1	Very high	90.4	Very high	72 Å²	72	62 Å²	62	44%	0.436	35%	0.347	S	S	.	.	H	α-helix	trans	-70.1	-43.8	177.7	174.9	0	0	0	0	110.7	S94 E95 A96 A101 S102 P689	S94-V98 WeakPolarHBondContact O-CG2 3.29Å; S94-V98 PolarHBondContact O-N 2.93Å; E95-V98 PolarHBondContact O-N 3.04Å; A96-V98 PolarHBondContact O-N 3.01Å; V98-A101 PolarHBondContact O-N 2.9Å; V98-S102 PolarHBondContact O-N 2.96Å; V98-P689 HydrophobicContact CG2-CG 4.28Å
99	T	95.6	Very high	92.8	Very high	69 Å²	69	59.2 Å²	59.2	42%	0.423	32%	0.316	S	S	.	.	H	α-helix	trans	-62	-51.3	178.9	-62.7	0	0	0	0	111.2	E95 A96 A101 S102 Q103	E95-T99 WeakPolarHBondContact O-CB 3.4Å; E95-T99 PolarHBondContact O-N 3.33Å; E95-T99 PolarHBondContact O-OG1 3.49Å; E95-T99 VanDerWaalsContact O-OG1 3.06Å; A96-T99 PolarHBondContact O-N 3.42Å; T99-A101 VanDerWaalsContact C-N 3.34Å; T99-A101 PolarHBondContact O-N 3.25Å; T99-S102 WeakPolarHBondContact O-CB 3.37Å; T99-S102 PolarHBondContact O-N 3.41Å; T99-Q103 WeakPolarHBondContact O-CG 3.44Å; T99-Q103 PolarHBondContact O-N 2.79Å
100	V	95.5	Very high	94.5	Very high	8 Å²	8	55 Å²	55	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-37.7	179.8	75.7	0	0	0	0	111.5	A96 S102 Q103 I104 L589 L688	A96-V100 WeakPolarHBondContact O-CB 3.3Å; A96-V100 VanDerWaalsContact O-CG1 3.31Å; A96-V100 WeakPolarHBondContact O-CG1 3.24Å; A96-V100 PolarHBondContact O-N 3.46Å; V100-S102 VanDerWaalsContact C-N 3.31Å; V100-S102 PolarHBondContact O-N 2.89Å; V100-Q103 PolarHBondContact O-N 2.57Å; V100-I104 HydrophobicContact CG2-CD1 4.09Å; V100-I104 HydrophobicContact CG2-CG1 4.42Å; V100-I104 WeakPolarHBondContact O-CB 3.49Å; V100-I104 VanDerWaalsContact O-CG1 3.23Å; V100-I104 WeakPolarHBondContact O-CG1 3.2Å; V100-I104 PolarHBondContact O-N 3.08Å; V100-L589 HydrophobicContact CG1-CD1 4.26Å; V100-L589 HydrophobicContact CG2-CD1 3.61Å; V100-L688 HydrophobicContact CG1-CD1 3.86Å; V100-L688 HydrophobicContact CG1-CD2 3.93Å
101	A	96.6	Very high	95.5	Very high	3 Å²	3	58.5 Å²	58.5	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-41.2	174.3	0	0	0	0	0	112.2	C97 V98 T99 V105 L688 P689 V691	C97-A101 WeakPolarHBondContact O-CB 3.44Å; C97-A101 PolarHBondContact O-N 3.42Å; V98-A101 PolarHBondContact O-N 2.9Å; T99-A101 VanDerWaalsContact C-N 3.34Å; T99-A101 PolarHBondContact O-N 3.25Å; A101-V105 WeakPolarHBondContact O-CB 3.44Å; A101-V105 VanDerWaalsContact O-CG2 3.28Å; A101-V105 WeakPolarHBondContact O-CG2 3.49Å; A101-V105 PolarHBondContact O-N 3.12Å; A101-L688 HydrophobicContact CB-CB 4.21Å; A101-L688 HydrophobicContact CB-CD1 4.37Å; A101-P689 HydrophobicContact CB-CG 4.17Å; A101-P689 WeakPolarHBondContact CB-O 3.38Å; A101-V691 HydrophobicContact CB-CG2 3.85Å
102	S	96.1	Very high	95.8	Very high	59 Å²	59	54.9 Å²	54.9	41%	0.413	30%	0.303	S	S	.	.	H	α-helix	trans	-62.4	-49.3	175.8	-165.6	0	0	0	0	111.3	V98 T99 V100 I104 V105 E106	V98-S102 PolarHBondContact O-N 2.96Å; T99-S102 WeakPolarHBondContact O-CB 3.37Å; T99-S102 PolarHBondContact O-N 3.41Å; V100-S102 VanDerWaalsContact C-N 3.31Å; V100-S102 PolarHBondContact O-N 2.89Å; S102-I104 VanDerWaalsContact C-N 3.32Å; S102-I104 PolarHBondContact O-N 3.15Å; S102-V105 PolarHBondContact O-N 3.43Å; S102-E106 WeakPolarHBondContact O-CB 3.36Å; S102-E106 VanDerWaalsContact O-CG 3.31Å; S102-E106 WeakPolarHBondContact O-CG 2.94Å; S102-E106 PolarHBondContact O-N 3.48Å
103	Q	94.9	Very high	96	Very high	109 Å²	109	57.6 Å²	57.6	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-58.4	-43.9	178.8	-69.8	173.7	-12.2	0	0	111.9	T99 V100 E106 A107	T99-Q103 WeakPolarHBondContact O-CG 3.44Å; T99-Q103 PolarHBondContact O-N 2.79Å; V100-Q103 PolarHBondContact O-N 2.57Å; Q103-E106 PolarHBondContact O-N 2.93Å; Q103-A107 WeakPolarHBondContact O-CB 3.38Å; Q103-A107 PolarHBondContact O-N 3.24Å
104	I	96.6	Very high	96.2	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-50.3	177.4	-70.9	175.2	0	0	0	110.9	V100 S102 E106 A107 M108 L589 L688 V691 L698 L701 Q705	V100-I104 HydrophobicContact CG2-CD1 4.09Å; V100-I104 HydrophobicContact CG2-CG1 4.42Å; V100-I104 WeakPolarHBondContact O-CB 3.49Å; V100-I104 VanDerWaalsContact O-CG1 3.23Å; V100-I104 WeakPolarHBondContact O-CG1 3.2Å; V100-I104 PolarHBondContact O-N 3.08Å; S102-I104 VanDerWaalsContact C-N 3.32Å; S102-I104 PolarHBondContact O-N 3.15Å; I104-E106 VanDerWaalsContact C-N 3.25Å; I104-E106 PolarHBondContact O-N 3.31Å; I104-A107 PolarHBondContact O-N 3.42Å; I104-A107 VanDerWaalsContact O-N 3.16Å; I104-M108 HydrophobicContact CG2-CG 4.42Å; I104-M108 HydrophobicContact CG2-SD 3.89Å; I104-M108 VanDerWaalsContact O-CG 3.24Å; I104-M108 WeakPolarHBondContact O-CG 3.3Å; I104-M108 PolarHBondContact O-N 3.44Å; I104-M108 VanDerWaalsContact O-N 3.12Å; I104-L589 HydrophobicContact CD1-CD1 3.81Å; I104-L589 HydrophobicContact CD1-CD2 3.89Å; I104-L589 HydrophobicContact CD1-CG 4.49Å; I104-L688 HydrophobicContact CD1-CD1 3.93Å; I104-V691 HydrophobicContact CG2-CG1 4.05Å; I104-V691 HydrophobicContact CG2-CG2 4.4Å; I104-L698 HydrophobicContact CD1-CD1 3.71Å; I104-L701 HydrophobicContact CG2-CD2 3.38Å; I104-L701 HydrophobicContact CG2-CG 4.3Å; I104-Q705 PolarHBondContact O-NE2 3.32Å
105	V	96.3	Very high	96.4	Very high	50 Å²	50	50.3 Å²	50.3	30%	0.303	28%	0.275	S	S	.	.	H	α-helix	trans	-61.7	-36.4	-179	169.4	0	0	0	0	111.5	A101 S102 V691	A101-V105 WeakPolarHBondContact O-CB 3.44Å; A101-V105 VanDerWaalsContact O-CG2 3.28Å; A101-V105 WeakPolarHBondContact O-CG2 3.49Å; A101-V105 PolarHBondContact O-N 3.12Å; S102-V105 PolarHBondContact O-N 3.43Å; V105-V691 HydrophobicContact CG2-CG2 4.16Å
106	E	96.3	Very high	96.6	Very high	96 Å²	96	46.8 Å²	46.8	45%	0.449	26%	0.259	S	S	.	.	H	α-helix	trans	-69.5	-33.1	176.8	-74	-171.8	-172.5	0	0	113.8	S102 Q103 I104 G125 K129	S102-E106 WeakPolarHBondContact O-CB 3.36Å; S102-E106 VanDerWaalsContact O-CG 3.31Å; S102-E106 WeakPolarHBondContact O-CG 2.94Å; S102-E106 PolarHBondContact O-N 3.48Å; Q103-E106 PolarHBondContact O-N 2.93Å; I104-E106 VanDerWaalsContact C-N 3.25Å; I104-E106 PolarHBondContact O-N 3.31Å; E106-G125 CarbonylContact O-C 3.5Å; E106-G125 WeakPolarHBondContact O-CA 3.17Å; E106-K129 IonicContact OE1-NZ 3.51Å; E106-K129 IonicContact OE2-NZ 3.17Å; E106-K129 PolarHBondContact OE2-NZ 2.91Å
107	A	97.3	Very high	96.9	Very high	7 Å²	7	47.8 Å²	47.8	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-75.5	-29.6	178.4	0	0	0	0	0	112.9	Q103 I104 A122 C123 G125 W126	Q103-A107 WeakPolarHBondContact O-CB 3.38Å; Q103-A107 PolarHBondContact O-N 3.24Å; I104-A107 PolarHBondContact O-N 3.42Å; I104-A107 VanDerWaalsContact O-N 3.16Å; A107-A122 CarbonylContact C-O 3.51Å; A107-A122 VanDerWaalsContact O-O 3.08Å; A107-C123 CarbonylContact O-C 3.52Å; A107-C123 VanDerWaalsContact O-C 3.26Å; A107-C123 WeakPolarHBondContact O-CA 3.29Å; A107-G125 CarbonylContact O-C 3.54Å; A107-G125 WeakPolarHBondContact O-CA 3.41Å; A107-G125 PolarHBondContact O-N 2.91Å; A107-W126 HydrophobicContact CB-CB 3.89Å; A107-W126 PolarHBondContact O-N 3.18Å
108	M	97.8	Very high	97	Very high	11 Å²	11	47.6 Å²	47.6	5%	0.054	26%	0.261	C	S	.	.			trans	-71	152.5	-178.4	-69.1	169.9	83.5	0	0	114	I104 F121 V691 L693 L701	I104-M108 HydrophobicContact CG2-CG 4.42Å; I104-M108 HydrophobicContact CG2-SD 3.89Å; I104-M108 VanDerWaalsContact O-CG 3.24Å; I104-M108 WeakPolarHBondContact O-CG 3.3Å; I104-M108 PolarHBondContact O-N 3.44Å; I104-M108 VanDerWaalsContact O-N 3.12Å; M108-F121 CarbonylContact C-O 3.24Å; M108-F121 VanDerWaalsContact CA-O 3.29Å; M108-F121 WeakPolarHBondContact CA-O 3.48Å; M108-F121 HydrophobicContact CE-CD1 4.49Å; M108-F121 HydrophobicContact CE-CE1 3.59Å; M108-F121 HydrophobicContact CE-CE2 3.83Å; M108-F121 HydrophobicContact CE-CZ 3.2Å; M108-V691 HydrophobicContact SD-CG1 4.46Å; M108-L693 HydrophobicContact CE-CD1 4.01Å; M108-L701 HydrophobicContact CE-CD1 4.45Å; M108-L701 HydrophobicContact CE-CD2 4Å; M108-L701 HydrophobicContact CG-CD1 4.08Å; M108-L701 HydrophobicContact CG-CD2 4.15Å; M108-L701 HydrophobicContact SD-CD2 3.66Å
109	D	98.1	Very high	97.2	Very high	15 Å²	15	44.7 Å²	44.7	8%	0.08	24%	0.242	C	C	.	.			trans	-117.7	93.8	163.1	-174.7	4.8	0	0	0	110.4	S111 A112 Q120 F121 R128	D109-S111 PolarHBondContact O-N 2.7Å; D109-S111 VanDerWaalsContact O-N 3.07Å; D109-S111 WeakPolarHBondContact OD1-CB 3.39Å; D109-S111 PolarHBondContact OD1-N 2.67Å; D109-S111 PolarHBondContact OD1-OG 2.82Å; D109-S111 PolarHBondContact OD2-OG 2.79Å; D109-A112 PolarHBondContact O-N 3.13Å; D109-A112 VanDerWaalsContact O-N 3.12Å; D109-Q120 WeakPolarHBondContact CB-O 3.48Å; D109-Q120 PolarHBondContact OD2-NE2 3.07Å; D109-F121 PolarHBondContact N-O 2.83Å; D109-R128 IonicContact OD1-NH2 3.54Å; D109-R128 IonicContact OD2-NH2 3.86Å
110	R	95.6	Very high	97.3	Very high	132 Å²	132	44.3 Å²	44.3	50%	0.498	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-6.5	-178.3	-64.1	-174.1	178.7	-169.3	0.5	114.4	A690 V691	R110-A690 PolarHBondContact NH2-O 3.49Å; R110-V691 PolarHBondContact NH2-O 3.37Å
111	S	96.9	Very high	97.5	Very high	104 Å²	104	44.8 Å²	44.8	73%	0.727	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-19.1	174.1	72.9	0	0	0	0	113	D109	D109-S111 PolarHBondContact O-N 2.7Å; D109-S111 VanDerWaalsContact O-N 3.07Å; D109-S111 WeakPolarHBondContact OD1-CB 3.39Å; D109-S111 PolarHBondContact OD1-N 2.67Å; D109-S111 PolarHBondContact OD1-OG 2.82Å; D109-S111 PolarHBondContact OD2-OG 2.79Å
112	A	98.1	Very high	97.6	Very high	19 Å²	19	44.6 Å²	44.6	16%	0.157	24%	0.235	C	C	.	.	S	Bend	trans	-84.5	138.4	175.4	0	0	0	0	0	111.1	D109 P114 Q120 F121	D109-A112 PolarHBondContact O-N 3.13Å; D109-A112 VanDerWaalsContact O-N 3.12Å; A112-P114 WeakPolarHBondContact O-CD 3.4Å; A112-Q120 HydrophobicContact CB-CB 4.12Å; A112-Q120 HydrophobicContact CB-CG 3.66Å; A112-F121 HydrophobicContact CB-CB 4.25Å; A112-F121 WeakPolarHBondContact O-CD2 3.48Å
113	D	98.1	Very high	97.7	Very high	79 Å²	79	41.8 Å²	41.8	42%	0.422	22%	0.216	S	C	.	.			trans	-75	119	173.3	178.5	-5.5	0	0	0	109.5	C115 Q116 D117	D113-C115 PolarHBondContact O-N 3.14Å; D113-C115 WeakPolarHBondContact OD1-CB 3.46Å; D113-C115 PolarHBondContact OD1-N 2.95Å; D113-Q116 HydrophobicContact CB-CB 4.14Å; D113-Q116 HydrophobicContact CB-CG 3.76Å; D113-Q116 PolarHBondContact O-N 3.27Å; D113-Q116 WeakPolarHBondContact OD2-CG 3.24Å; D113-D117 PolarHBondContact O-N 3.2Å; D113-D117 VanDerWaalsContact O-N 3.15Å
114	P	98.2	Very high	97.8	Very high	26 Å²	26	36.7 Å²	36.7	17%	0.169	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.2	179.4	25	-34.9	0	0	0	113.4	A112 F118 F121 F746 M754	A112-P114 WeakPolarHBondContact O-CD 3.4Å; P114-F118 HydrophobicContact CB-CD2 3.59Å; P114-F118 HydrophobicContact CB-CE2 3.89Å; P114-F121 HydrophobicContact CB-CB 4.34Å; P114-F121 HydrophobicContact CB-CD1 3.94Å; P114-F121 HydrophobicContact CB-CD2 4.21Å; P114-F121 HydrophobicContact CB-CE1 4.25Å; P114-F121 HydrophobicContact CB-CE2 4.5Å; P114-F121 HydrophobicContact CB-CG 3.9Å; P114-F121 HydrophobicContact CG-CD2 4.46Å; P114-F121 HydrophobicContact CG-CE2 4.49Å; P114-F746 HydrophobicContact CB-CD1 3.79Å; P114-F746 HydrophobicContact CB-CE1 4.23Å; P114-F746 HydrophobicContact CG-CD1 3.96Å; P114-M754 WeakPolarHBondContact O-CG 3.38Å
115	C	98.4	Very high	97.9	Very high	6 Å²	6	36.6 Å²	36.6	4%	0.041	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-7.4	177.9	-61.7	0	0	0	0	113.9	D113 C748 T752 M754	D113-C115 PolarHBondContact O-N 3.14Å; D113-C115 WeakPolarHBondContact OD1-CB 3.46Å; D113-C115 PolarHBondContact OD1-N 2.95Å; C115-C748 WeakPolarHBondContact CA-SG 3.32Å; C115-C748 HydrophobicContact CB-CB 3.69Å; C115-C748 WeakPolarHBondContact CB-SG 3.28Å; C115-C748 WeakPolarHBondContact SG-CA 3.35Å; C115-C748 WeakPolarHBondContact SG-CB 3.29Å; C115-C748 CovalentContact SG-SG 2.05Å; C115-C748 PolarHBondContact SG-SG 3.38Å; C115-T752 VanDerWaalsContact O-CB 3.25Å; C115-T752 WeakPolarHBondContact O-CB 3.31Å; C115-T752 PolarHBondContact O-OG1 2.94Å; C115-T752 VanDerWaalsContact O-OG1 3.11Å; C115-M754 WeakPolarHBondContact O-CB 3.28Å; C115-M754 WeakPolarHBondContact O-CG 3.39Å; C115-M754 PolarHBondContact O-N 2.85Å
116	Q	98.4	Very high	97.9	Very high	92 Å²	92	35.9 Å²	35.9	43%	0.43	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-48.6	175.3	-60.2	-59.8	-38	0	0	112.4	D113 P753	D113-Q116 HydrophobicContact CB-CB 4.14Å; D113-Q116 HydrophobicContact CB-CG 3.76Å; D113-Q116 PolarHBondContact O-N 3.27Å; D113-Q116 WeakPolarHBondContact OD2-CG 3.24Å; Q116-P753 WeakPolarHBondContact O-CB 3.29Å
117	D	98.4	Very high	98	Very high	38 Å²	38	33.4 Å²	33.4	20%	0.203	17%	0.173	C	C	.	.			trans	-147.4	90.8	177.3	-169	-30.5	0	0	0	108.7	D113 Y119 Q120 F121 K729	D113-D117 PolarHBondContact O-N 3.2Å; D113-D117 VanDerWaalsContact O-N 3.15Å; D117-Y119 PolarHBondContact O-N 3.46Å; D117-Y119 WeakPolarHBondContact OD1-CB 3.36Å; D117-Y119 PolarHBondContact OD1-N 2.81Å; D117-Q120 HydrophobicContact CB-CB 3.99Å; D117-Q120 PolarHBondContact O-N 2.92Å; D117-Q120 PolarHBondContact OD1-N 2.96Å; D117-F121 PolarHBondContact O-N 2.9Å; D117-K729 WeakPolarHBondContact OD2-CE 3.49Å; D117-K729 IonicContact OD2-NZ 3.93Å; D117-K729 PolarHBondContact OD2-NZ 2.86Å
118	F	98.8	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66.7	-28.3	-179	-164.4	-102.9	0	0	0	112.4	P114 F121 A122 F700 A704 V732 L736 F742 F746 M754	P114-F118 HydrophobicContact CB-CD2 3.59Å; P114-F118 HydrophobicContact CB-CE2 3.89Å; F118-F121 AromaticContact CD2-CD1 3.89Å; F118-F121 HydrophobicContact CD2-CD1 3.89Å; F118-F121 AromaticContact CE2-CD1 3.56Å; F118-F121 HydrophobicContact CE2-CD1 3.56Å; F118-F121 AromaticContact CE2-CE1 3.84Å; F118-F121 HydrophobicContact CE2-CE1 3.84Å; F118-F121 HydrophobicContact CZ-CD1 4.17Å; F118-F121 HydrophobicContact CZ-CE1 4.35Å; F118-F121 PolarHBondContact O-N 3.43Å; F118-A122 HydrophobicContact CD1-CB 4.47Å; F118-A122 HydrophobicContact CE1-CB 4.35Å; F118-A122 VanDerWaalsContact O-CB 3.23Å; F118-A122 WeakPolarHBondContact O-CB 3.37Å; F118-A122 PolarHBondContact O-N 3.34Å; F118-F700 HydrophobicContact CE1-CB 4.43Å; F118-F700 WeakPolarHBondContact CE1-O 3.33Å; F118-F700 HydrophobicContact CZ-CB 4.32Å; F118-A704 HydrophobicContact CD1-CB 3.81Å; F118-A704 HydrophobicContact CE1-CB 3.63Å; F118-V732 HydrophobicContact CD1-CG1 4.11Å; F118-L736 HydrophobicContact CB-CD1 4.13Å; F118-L736 HydrophobicContact CD1-CD1 3.13Å; F118-L736 HydrophobicContact CE1-CD1 3.68Å; F118-L736 HydrophobicContact CG-CD1 3.78Å; F118-F742 HydrophobicContact CB-CZ 4.13Å; F118-F742 HydrophobicContact CD1-CE2 4.11Å; F118-F742 HydrophobicContact CD1-CZ 4.47Å; F118-F742 AromaticContact CD2-CE2 3.49Å; F118-F742 HydrophobicContact CD2-CE2 3.49Å; F118-F742 VanDerWaalsContact CD2-CE2 3.49Å; F118-F742 AromaticContact CD2-CZ 3.45Å; F118-F742 HydrophobicContact CD2-CZ 3.45Å; F118-F742 VanDerWaalsContact CD2-CZ 3.45Å; F118-F742 HydrophobicContact CE1-CE2 4.09Å; F118-F742 AromaticContact CE2-CE2 3.51Å; F118-F742 HydrophobicContact CE2-CE2 3.51Å; F118-F742 AromaticContact CE2-CZ 3.93Å; F118-F742 HydrophobicContact CE2-CZ 3.93Å; F118-F742 AromaticContact CG-CE2 3.79Å; F118-F742 HydrophobicContact CG-CE2 3.79Å; F118-F742 AromaticContact CG-CZ 3.76Å; F118-F742 HydrophobicContact CG-CZ 3.76Å; F118-F742 AromaticContact CZ-CE2 3.8Å; F118-F742 HydrophobicContact CZ-CE2 3.8Å; F118-F746 HydrophobicContact CE2-CD1 4.07Å; F118-F746 HydrophobicContact CE2-CD2 4.36Å; F118-F746 AromaticContact CE2-CE1 3.56Å; F118-F746 HydrophobicContact CE2-CE1 3.56Å; F118-F746 AromaticContact CE2-CE2 3.88Å; F118-F746 HydrophobicContact CE2-CE2 3.88Å; F118-F746 HydrophobicContact CE2-CG 4.44Å; F118-F746 AromaticContact CE2-CZ 3.45Å; F118-F746 HydrophobicContact CE2-CZ 3.45Å; F118-F746 VanDerWaalsContact CE2-CZ 3.45Å; F118-F746 HydrophobicContact CZ-CE1 4.19Å; F118-F746 AromaticContact CZ-CE2 3.99Å; F118-F746 HydrophobicContact CZ-CE2 3.99Å; F118-F746 AromaticContact CZ-CZ 3.63Å; F118-F746 HydrophobicContact CZ-CZ 3.63Å; F118-M754 HydrophobicContact CB-CE 3.62Å; F118-M754 HydrophobicContact CB-CG 4.38Å; F118-M754 HydrophobicContact CB-SD 4.08Å
119	Y	98.7	Very high	97.8	Very high	11 Å²	11	46 Å²	46	4%	0.043	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-44.3	175.7	-175.9	-99.2	0	0	0	110.7	D117 A122 C123 M127 W707 S709 K729 V732	D117-Y119 PolarHBondContact O-N 3.46Å; D117-Y119 WeakPolarHBondContact OD1-CB 3.36Å; D117-Y119 PolarHBondContact OD1-N 2.81Å; Y119-A122 PolarHBondContact O-N 2.69Å; Y119-C123 HydrophobicContact CE1-CB 4.41Å; Y119-C123 HydrophobicContact CE2-CB 4.32Å; Y119-C123 VanDerWaalsContact O-CB 3.27Å; Y119-C123 WeakPolarHBondContact O-CB 3.42Å; Y119-C123 PolarHBondContact O-N 3.42Å; Y119-M127 HydrophobicContact CD1-CE 4.28Å; Y119-M127 HydrophobicContact CE1-CE 3.88Å; Y119-M127 HydrophobicContact CE1-SD 3.73Å; Y119-W707 HydrophobicContact CE2-CB 4.49Å; Y119-W707 WeakPolarHBondContact CE2-O 3.31Å; Y119-W707 PolarHBondContact OH-O 3.44Å; Y119-S709 PolarHBondContact OH-N 2.94Å; Y119-S709 PolarHBondContact OH-O 3.29Å; Y119-S709 VanDerWaalsContact OH-O 3.1Å; Y119-S709 PolarHBondContact OH-OG 3.48Å; Y119-K729 HydrophobicContact CD1-CB 3.92Å; Y119-K729 HydrophobicContact CD1-CD 4.21Å; Y119-K729 HydrophobicContact CD1-CG 3.84Å; Y119-K729 HydrophobicContact CD2-CB 4.39Å; Y119-K729 HydrophobicContact CE1-CB 4.05Å; Y119-K729 HydrophobicContact CE1-CG 4.44Å; Y119-K729 HydrophobicContact CG-CB 4.09Å; Y119-K729 HydrophobicContact CG-CG 3.97Å; Y119-V732 HydrophobicContact CD2-CB 4.04Å; Y119-V732 HydrophobicContact CD2-CG1 4.45Å; Y119-V732 HydrophobicContact CD2-CG2 3.9Å; Y119-V732 HydrophobicContact CE2-CG2 4.48Å
120	Q	98.6	Very high	97.6	Very high	61 Å²	61	47.7 Å²	47.7	29%	0.285	23%	0.231	S	C	.	.	H	α-helix	trans	-62.4	-44.4	173.3	-177.8	61.7	24	0	0	111.4	D109 A112 D117 A122 G124	D109-Q120 WeakPolarHBondContact CB-O 3.48Å; D109-Q120 PolarHBondContact OD2-NE2 3.07Å; A112-Q120 HydrophobicContact CB-CB 4.12Å; A112-Q120 HydrophobicContact CB-CG 3.66Å; D117-Q120 HydrophobicContact CB-CB 3.99Å; D117-Q120 PolarHBondContact O-N 2.92Å; D117-Q120 PolarHBondContact OD1-N 2.96Å; Q120-A122 VanDerWaalsContact C-N 3.33Å; Q120-A122 PolarHBondContact O-N 2.97Å; Q120-G124 VanDerWaalsContact O-CA 3.28Å; Q120-G124 WeakPolarHBondContact O-CA 3.38Å; Q120-G124 PolarHBondContact O-N 3.1Å
121	F	98.7	Very high	97.4	Very high	17 Å²	17	45.7 Å²	45.7	8%	0.075	24%	0.235	C	C	.	.	H	α-helix	trans	-58.6	-42.7	176.3	171.4	-98.6	0	0	0	112.7	M108 D109 A112 P114 D117 F118 L701 F746	M108-F121 CarbonylContact C-O 3.24Å; M108-F121 VanDerWaalsContact CA-O 3.29Å; M108-F121 WeakPolarHBondContact CA-O 3.48Å; M108-F121 HydrophobicContact CE-CD1 4.49Å; M108-F121 HydrophobicContact CE-CE1 3.59Å; M108-F121 HydrophobicContact CE-CE2 3.83Å; M108-F121 HydrophobicContact CE-CZ 3.2Å; D109-F121 PolarHBondContact N-O 2.83Å; A112-F121 HydrophobicContact CB-CB 4.25Å; A112-F121 WeakPolarHBondContact O-CD2 3.48Å; P114-F121 HydrophobicContact CB-CB 4.34Å; P114-F121 HydrophobicContact CB-CD1 3.94Å; P114-F121 HydrophobicContact CB-CD2 4.21Å; P114-F121 HydrophobicContact CB-CE1 4.25Å; P114-F121 HydrophobicContact CB-CE2 4.5Å; P114-F121 HydrophobicContact CB-CG 3.9Å; P114-F121 HydrophobicContact CG-CD2 4.46Å; P114-F121 HydrophobicContact CG-CE2 4.49Å; D117-F121 PolarHBondContact O-N 2.9Å; F118-F121 AromaticContact CD2-CD1 3.89Å; F118-F121 HydrophobicContact CD2-CD1 3.89Å; F118-F121 AromaticContact CE2-CD1 3.56Å; F118-F121 HydrophobicContact CE2-CD1 3.56Å; F118-F121 AromaticContact CE2-CE1 3.84Å; F118-F121 HydrophobicContact CE2-CE1 3.84Å; F118-F121 HydrophobicContact CZ-CD1 4.17Å; F118-F121 HydrophobicContact CZ-CE1 4.35Å; F118-F121 PolarHBondContact O-N 3.43Å; F121-L701 HydrophobicContact CD1-CD1 4.49Å; F121-L701 HydrophobicContact CE1-CD1 4.26Å; F121-F746 HydrophobicContact CE1-CE1 4.17Å
122	A	98.6	Very high	97.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-79.7	-38.1	-176.5	0	0	0	0	0	114	A107 F118 Y119 Q120 L701 A704 Q705	A107-A122 CarbonylContact C-O 3.51Å; A107-A122 VanDerWaalsContact O-O 3.08Å; F118-A122 HydrophobicContact CD1-CB 4.47Å; F118-A122 HydrophobicContact CE1-CB 4.35Å; F118-A122 VanDerWaalsContact O-CB 3.23Å; F118-A122 WeakPolarHBondContact O-CB 3.37Å; F118-A122 PolarHBondContact O-N 3.34Å; Y119-A122 PolarHBondContact O-N 2.69Å; Q120-A122 VanDerWaalsContact C-N 3.33Å; Q120-A122 PolarHBondContact O-N 2.97Å; A122-L701 HydrophobicContact CB-CD1 3.64Å; A122-A704 HydrophobicContact CB-CB 3.49Å; A122-A704 VanDerWaalsContact CB-CB 3.49Å; A122-Q705 HydrophobicContact CB-CG 4.32Å; A122-Q705 PolarHBondContact O-NE2 2.85Å
123	C	98.5	Very high	96.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-117.5	-7.6	-167.7	-66.7	0	0	0	0	114.9	A107 Y119 G125 W126 M127 A704 C708	A107-C123 CarbonylContact O-C 3.52Å; A107-C123 VanDerWaalsContact O-C 3.26Å; A107-C123 WeakPolarHBondContact O-CA 3.29Å; Y119-C123 HydrophobicContact CE1-CB 4.41Å; Y119-C123 HydrophobicContact CE2-CB 4.32Å; Y119-C123 VanDerWaalsContact O-CB 3.27Å; Y119-C123 WeakPolarHBondContact O-CB 3.42Å; Y119-C123 PolarHBondContact O-N 3.42Å; C123-G125 VanDerWaalsContact C-N 3.28Å; C123-G125 PolarHBondContact O-N 3.35Å; C123-W126 WeakPolarHBondContact O-CA 3.45Å; C123-W126 WeakPolarHBondContact O-CB 3.33Å; C123-W126 PolarHBondContact O-N 2.85Å; C123-M127 HydrophobicContact CB-CE 4.37Å; C123-M127 WeakPolarHBondContact O-CG 3.44Å; C123-M127 PolarHBondContact O-N 3.18Å; C123-A704 PolarHBondContact SG-O 3.14Å; C123-C708 WeakPolarHBondContact CA-SG 3.21Å; C123-C708 HydrophobicContact CB-CB 3.79Å; C123-C708 WeakPolarHBondContact CB-SG 3.25Å; C123-C708 WeakPolarHBondContact SG-CA 3.44Å; C123-C708 WeakPolarHBondContact SG-CB 3.5Å; C123-C708 CovalentContact SG-SG 2.04Å; C123-C708 PolarHBondContact SG-SG 3.01Å
124	G	98.1	Very high	96.1	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-30.8	-173.4	0	0	0	0	0	114.1	Q120 R128	Q120-G124 VanDerWaalsContact O-CA 3.28Å; Q120-G124 WeakPolarHBondContact O-CA 3.38Å; Q120-G124 PolarHBondContact O-N 3.1Å; G124-R128 WeakPolarHBondContact O-CG 3.49Å; G124-R128 PolarHBondContact O-N 3.4Å; G124-R128 PolarHBondContact O-NE 3.4Å; G124-R128 VanDerWaalsContact O-NE 3.16Å
125	G	98.1	Very high	95.3	Very high	4 Å²	4	47.3 Å²	47.3	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-69.2	-45.1	168.8	0	0	0	0	0	112	E106 A107 C123 R128 K129	E106-G125 CarbonylContact O-C 3.5Å; E106-G125 WeakPolarHBondContact O-CA 3.17Å; A107-G125 CarbonylContact O-C 3.54Å; A107-G125 WeakPolarHBondContact O-CA 3.41Å; A107-G125 PolarHBondContact O-N 2.91Å; C123-G125 VanDerWaalsContact C-N 3.28Å; C123-G125 PolarHBondContact O-N 3.35Å; G125-R128 PolarHBondContact O-N 3.27Å; G125-K129 PolarHBondContact O-N 3.01Å
126	W	97.4	Very high	94.9	Very high	35 Å²	35	49.3 Å²	49.3	13%	0.133	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-48.6	179.7	-173.3	96.6	0	0	0	111.6	A107 C123 R128 K129 N130 W139 C708 V710	A107-W126 HydrophobicContact CB-CB 3.89Å; A107-W126 PolarHBondContact O-N 3.18Å; C123-W126 WeakPolarHBondContact O-CA 3.45Å; C123-W126 WeakPolarHBondContact O-CB 3.33Å; C123-W126 PolarHBondContact O-N 2.85Å; W126-R128 VanDerWaalsContact C-N 3.28Å; W126-R128 PolarHBondContact O-N 3.11Å; W126-K129 PolarHBondContact O-N 2.75Å; W126-K129 VanDerWaalsContact O-N 3.14Å; W126-N130 HydrophobicContact CD2-CB 4.15Å; W126-N130 HydrophobicContact CE3-CB 4.18Å; W126-N130 HydrophobicContact CH2-CB 3.96Å; W126-N130 HydrophobicContact CZ2-CB 3.96Å; W126-N130 HydrophobicContact CZ3-CB 4.07Å; W126-N130 PolarHBondContact NE1-ND2 2.89Å; W126-N130 WeakPolarHBondContact O-CB 3.25Å; W126-N130 PolarHBondContact O-N 3.02Å; W126-N130 PolarHBondContact O-ND2 2.89Å; W126-W139 AromaticContact CH2-CD1 3.69Å; W126-W139 HydrophobicContact CH2-CG 4.5Å; W126-C708 HydrophobicContact CB-CB 4.23Å; W126-C708 HydrophobicContact CD2-CB 3.63Å; W126-C708 HydrophobicContact CE3-CB 3.69Å; W126-C708 HydrophobicContact CG-CB 3.87Å; W126-C708 HydrophobicContact CZ3-CB 4.34Å; W126-V710 HydrophobicContact CZ3-CG1 4.34Å
127	M	96.9	Very high	94.7	Very high	44 Å²	44	46 Å²	46	22%	0.217	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-33.5	179.5	-67.9	-172.7	-69.7	0	0	112.3	Y119 C123 V710	Y119-M127 HydrophobicContact CD1-CE 4.28Å; Y119-M127 HydrophobicContact CE1-CE 3.88Å; Y119-M127 HydrophobicContact CE1-SD 3.73Å; C123-M127 HydrophobicContact CB-CE 4.37Å; C123-M127 WeakPolarHBondContact O-CG 3.44Å; C123-M127 PolarHBondContact O-N 3.18Å; M127-V710 HydrophobicContact CB-CG1 3.89Å; M127-V710 HydrophobicContact CG-CG1 3.82Å; M127-V710 HydrophobicContact SD-CG1 4.43Å
128	R	96.1	Very high	94.4	Very high	166 Å²	166	50.8 Å²	50.8	63%	0.626	25%	0.247	S	C	*	.	H	α-helix	trans	-71	-36.1	175	-76.9	-176	-65.5	-162.8	-2.2	112.8	D109 G124 G125 W126	D109-R128 IonicContact OD1-NH2 3.54Å; D109-R128 IonicContact OD2-NH2 3.86Å; G124-R128 WeakPolarHBondContact O-CG 3.49Å; G124-R128 PolarHBondContact O-N 3.4Å; G124-R128 PolarHBondContact O-NE 3.4Å; G124-R128 VanDerWaalsContact O-NE 3.16Å; G125-R128 PolarHBondContact O-N 3.27Å; W126-R128 VanDerWaalsContact C-N 3.28Å; W126-R128 PolarHBondContact O-N 3.11Å
129	K	95.4	Very high	94.3	Very high	117 Å²	117	51.8 Å²	51.8	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-83.9	-22.5	-179.4	-70.7	-169.4	-178.7	-162.4	0	113.6	E106 G125 W126 P131	E106-K129 IonicContact OE1-NZ 3.51Å; E106-K129 IonicContact OE2-NZ 3.17Å; E106-K129 PolarHBondContact OE2-NZ 2.91Å; G125-K129 PolarHBondContact O-N 3.01Å; W126-K129 PolarHBondContact O-N 2.75Å; W126-K129 VanDerWaalsContact O-N 3.14Å; K129-P131 WeakPolarHBondContact O-CD 3.31Å
130	N	94.2	Very high	94.1	Very high	49 Å²	49	52.1 Å²	52.1	26%	0.262	25%	0.254	S	S	.	.	S	Bend	trans	-117.6	70.8	-178.3	-63	-88.3	0	0	0	109.6	W126 V710	W126-N130 HydrophobicContact CD2-CB 4.15Å; W126-N130 HydrophobicContact CE3-CB 4.18Å; W126-N130 HydrophobicContact CH2-CB 3.96Å; W126-N130 HydrophobicContact CZ2-CB 3.96Å; W126-N130 HydrophobicContact CZ3-CB 4.07Å; W126-N130 PolarHBondContact NE1-ND2 2.89Å; W126-N130 WeakPolarHBondContact O-CB 3.25Å; W126-N130 PolarHBondContact O-N 3.02Å; W126-N130 PolarHBondContact O-ND2 2.89Å; N130-V710 WeakPolarHBondContact O-CG2 3.05Å
131	P	91.9	Very high	93.8	Very high	91 Å²	91	49.8 Å²	49.8	59%	0.591	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-59.8	158	168	30.7	-35.4	0	0	0	109.4	K129 P133	K129-P131 WeakPolarHBondContact O-CD 3.31Å; P131-P133 VanDerWaalsContact O-CD 3.27Å; P131-P133 WeakPolarHBondContact O-CD 3.46Å; P131-P133 VanDerWaalsContact O-N 3.16Å
132	L	91.1	Very high	93.7	Very high	54 Å²	54	50.9 Å²	50.9	28%	0.283	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-57.5	120.4	178.1	-167.8	74.2	0	0	0	109.8	R136 W139 V710 T712	L132-R136 HydrophobicContact CD1-CB 4.34Å; L132-R136 WeakPolarHBondContact CD2-O 3.35Å; L132-R136 HydrophobicContact CG-CB 4.46Å; L132-R136 WeakPolarHBondContact CG-O 3.42Å; L132-W139 HydrophobicContact CD1-CB 3.99Å; L132-V710 HydrophobicContact CB-CG2 4.37Å; L132-V710 HydrophobicContact CD1-CG2 4.22Å; L132-T712 HydrophobicContact CD2-CG2 3.53Å
133	P	88.9	Confident	93.4	Very high	44 Å²	44	52.4 Å²	52.4	29%	0.286	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-62.1	151	178.2	-22.8	33.8	0	0	0	111.5	P131 G135 R136 W139	P131-P133 VanDerWaalsContact O-CD 3.27Å; P131-P133 WeakPolarHBondContact O-CD 3.46Å; P131-P133 VanDerWaalsContact O-N 3.16Å; P133-G135 PolarHBondContact O-N 2.77Å; P133-R136 HydrophobicContact CB-CB 4.48Å; P133-R136 HydrophobicContact CB-CG 3.98Å; P133-R136 HydrophobicContact CG-CG 4.32Å; P133-R136 PolarHBondContact O-N 3.34Å; P133-W139 HydrophobicContact CG-CB 4.48Å; P133-W139 HydrophobicContact CG-CD2 3.64Å; P133-W139 HydrophobicContact CG-CE3 3.84Å; P133-W139 HydrophobicContact CG-CG 3.93Å; P133-W139 HydrophobicContact CG-CZ2 4.47Å; P133-W139 HydrophobicContact CG-CZ3 4.36Å
134	D	84.6	Confident	93.1	Very high	146 Å²	146	54.3 Å²	54.3	78%	0.781	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	131.7	175.5	-71.4	-18.4	0	0	0	110.4	R136 C421	D134-R136 VanDerWaalsContact C-N 3.28Å; D134-R136 PolarHBondContact O-N 3.36Å; D134-C421 HydrophobicContact CB-CB 4.46Å
135	G	82.8	Confident	92.9	Very high	17 Å²	17	54.5 Å²	54.5	18%	0.175	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	7.6	178.9	0	0	0	0	0	115.6	P133 T417 K419	P133-G135 PolarHBondContact O-N 2.77Å; G135-T417 WeakPolarHBondContact O-CG2 3.35Å; G135-K419 WeakPolarHBondContact CA-O 3.4Å
136	R	89.9	Confident	92.7	Very high	48 Å²	48	57.9 Å²	57.9	18%	0.181	28%	0.283	C	S	.	.			trans	-105.9	152.4	169.5	-59.8	-63.7	-168.1	-159.7	-3.8	110.4	L132 P133 D134 W139 E147 T417 T422	L132-R136 HydrophobicContact CD1-CB 4.34Å; L132-R136 WeakPolarHBondContact CD2-O 3.35Å; L132-R136 HydrophobicContact CG-CB 4.46Å; L132-R136 WeakPolarHBondContact CG-O 3.42Å; P133-R136 HydrophobicContact CB-CB 4.48Å; P133-R136 HydrophobicContact CB-CG 3.98Å; P133-R136 HydrophobicContact CG-CG 4.32Å; P133-R136 PolarHBondContact O-N 3.34Å; D134-R136 VanDerWaalsContact C-N 3.28Å; D134-R136 PolarHBondContact O-N 3.36Å; R136-W139 HydrophobicContact CG-CE3 4.39Å; R136-E147 IonicContact CZ-OE1 2.68Å; R136-E147 IonicContact NE-OE1 3.81Å; R136-E147 PolarHBondContact NE-OE1 2.9Å; R136-E147 IonicContact NH2-OE1 3.04Å; R136-E147 PolarHBondContact NH2-OE1 3.01Å; R136-T417 PolarHBondContact O-OG1 3.49Å; R136-T422 PolarHBondContact NH1-OG1 3.45Å
137	S	92.4	Very high	92.5	Very high	24 Å²	24	58.6 Å²	58.6	17%	0.168	29%	0.288	C	S	.	.	S	Bend	trans	-105.6	-23.1	173.1	59.2	0	0	0	0	112.8	Y415 T417 R711 T712	S137-Y415 VanDerWaalsContact CB-O 3.29Å; S137-Y415 WeakPolarHBondContact CB-O 3.34Å; S137-T417 WeakPolarHBondContact CA-OG1 3.01Å; S137-T417 WeakPolarHBondContact CB-OG1 3.47Å; S137-T417 PolarHBondContact N-OG1 2.91Å; S137-R711 CarbonylContact O-C 3.43Å; S137-R711 VanDerWaalsContact O-CA 3.27Å; S137-R711 WeakPolarHBondContact O-CA 3.45Å; S137-T712 PolarHBondContact O-N 3.46Å; S137-T712 PolarHBondContact O-OG1 3.47Å
138	R	93.3	Very high	92.4	Very high	138 Å²	138	61.8 Å²	61.8	52%	0.521	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.3	173	64.4	-176.5	-178.1	177.8	1.5	110.6	V710 R711	R138-V710 WeakPolarHBondContact CA-O 3.36Å; R138-R711 HydrophobicContact CB-CB 4.31Å
139	W	95.4	Very high	92.4	Very high	21 Å²	21	54.1 Å²	54.1	8%	0.08	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	132.3	173.3	-168.1	-112.8	0	0	0	109.7	W126 L132 P133 R136 N143 E147 S709 V710	W126-W139 AromaticContact CH2-CD1 3.69Å; W126-W139 HydrophobicContact CH2-CG 4.5Å; L132-W139 HydrophobicContact CD1-CB 3.99Å; P133-W139 HydrophobicContact CG-CB 4.48Å; P133-W139 HydrophobicContact CG-CD2 3.64Å; P133-W139 HydrophobicContact CG-CE3 3.84Å; P133-W139 HydrophobicContact CG-CG 3.93Å; P133-W139 HydrophobicContact CG-CZ2 4.47Å; P133-W139 HydrophobicContact CG-CZ3 4.36Å; R136-W139 HydrophobicContact CG-CE3 4.39Å; W139-N143 HydrophobicContact CD2-CB 4.26Å; W139-N143 HydrophobicContact CE3-CB 3.66Å; W139-N143 HydrophobicContact CH2-CB 4.41Å; W139-N143 HydrophobicContact CZ3-CB 3.75Å; W139-E147 HydrophobicContact CH2-CB 4.41Å; W139-E147 HydrophobicContact CH2-CG 3.85Å; W139-E147 WeakPolarHBondContact CH2-OE1 3.1Å; W139-E147 VanDerWaalsContact CH2-OE2 3.3Å; W139-E147 WeakPolarHBondContact CH2-OE2 3.49Å; W139-E147 VanDerWaalsContact CZ3-CD 3.47Å; W139-E147 HydrophobicContact CZ3-CG 4.05Å; W139-E147 VanDerWaalsContact CZ3-OE1 3.24Å; W139-E147 WeakPolarHBondContact CZ3-OE1 3.47Å; W139-S709 CarbonylContact O-C 3.26Å; W139-S709 WeakPolarHBondContact O-CA 3.43Å; W139-S709 WeakPolarHBondContact O-CB 3.43Å; W139-V710 HydrophobicContact CB-CG2 3.8Å; W139-V710 PolarHBondContact N-O 2.98Å; W139-V710 PolarHBondContact O-N 3.05Å
140	S	95.6	Very high	92.4	Very high	17 Å²	17	48.7 Å²	48.7	12%	0.119	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	171.5	-174.4	65.6	0	0	0	0	110.8	F142 N143 S144 C708	S140-F142 PolarHBondContact O-N 3.42Å; S140-F142 PolarHBondContact OG-N 2.83Å; S140-N143 PolarHBondContact N-OD1 3.24Å; S140-N143 PolarHBondContact O-N 3.21Å; S140-N143 VanDerWaalsContact O-N 3.09Å; S140-N143 PolarHBondContact OG-N 2.77Å; S140-N143 PolarHBondContact OG-OD1 3.34Å; S140-S144 PolarHBondContact O-N 3.42Å; S140-C708 VanDerWaalsContact CA-O 3.31Å; S140-C708 WeakPolarHBondContact CA-O 3.44Å
141	T	93	Very high	92.5	Very high	13 Å²	13	48.7 Å²	48.7	8%	0.08	26%	0.257	C	S	.	.	H	α-helix	trans	-51	-43.1	168.3	-57.6	0	0	0	0	111.9	N143 S144 I145 P579 Q705 V706 C708	T141-N143 PolarHBondContact O-N 3.2Å; T141-S144 PolarHBondContact O-N 3.19Å; T141-I145 HydrophobicContact CG2-CD1 4.37Å; T141-I145 WeakPolarHBondContact O-CG1 3.19Å; T141-I145 PolarHBondContact O-N 3.05Å; T141-P579 HydrophobicContact CG2-CG 3.31Å; T141-Q705 PolarHBondContact OG1-O 3.01Å; T141-V706 WeakPolarHBondContact CB-O 3.21Å; T141-C708 PolarHBondContact N-O 2.9Å
142	F	95	Very high	92.7	Very high	40 Å²	40	46.8 Å²	46.8	18%	0.175	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-44.3	175.9	-69.3	-101.5	0	0	0	112.2	S140 S144 I145 W146 V558 I575 F580 V706 W707	S140-F142 PolarHBondContact O-N 3.42Å; S140-F142 PolarHBondContact OG-N 2.83Å; F142-S144 VanDerWaalsContact C-N 3.35Å; F142-S144 PolarHBondContact O-N 3.38Å; F142-I145 PolarHBondContact O-N 3.43Å; F142-W146 WeakPolarHBondContact O-CB 3.38Å; F142-W146 PolarHBondContact O-N 2.94Å; F142-V558 HydrophobicContact CD1-CG1 4.21Å; F142-I575 HydrophobicContact CE1-CD1 4.43Å; F142-F580 HydrophobicContact CD1-CE2 4.49Å; F142-F580 AromaticContact CD1-CZ 3.84Å; F142-F580 HydrophobicContact CD1-CZ 3.84Å; F142-F580 HydrophobicContact CD2-CZ 4.17Å; F142-F580 AromaticContact CE1-CE1 3.96Å; F142-F580 HydrophobicContact CE1-CE1 3.96Å; F142-F580 HydrophobicContact CE1-CE2 4.45Å; F142-F580 AromaticContact CE1-CZ 3.46Å; F142-F580 HydrophobicContact CE1-CZ 3.46Å; F142-F580 VanDerWaalsContact CE1-CZ 3.46Å; F142-F580 HydrophobicContact CE2-CE1 4.31Å; F142-F580 AromaticContact CE2-CZ 3.8Å; F142-F580 HydrophobicContact CE2-CZ 3.8Å; F142-F580 HydrophobicContact CG-CZ 4.19Å; F142-F580 AromaticContact CZ-CE1 3.72Å; F142-F580 HydrophobicContact CZ-CE1 3.72Å; F142-F580 AromaticContact CZ-CZ 3.44Å; F142-F580 HydrophobicContact CZ-CZ 3.44Å; F142-F580 VanDerWaalsContact CZ-CZ 3.44Å; F142-V706 HydrophobicContact CE2-CG1 3.81Å; F142-V706 HydrophobicContact CZ-CG1 4.03Å; F142-W707 AromaticContact CE2-CE3 3.93Å; F142-W707 HydrophobicContact CE2-CE3 3.93Å; F142-W707 HydrophobicContact CE2-CH2 4.27Å; F142-W707 AromaticContact CE2-CZ3 3.7Å; F142-W707 HydrophobicContact CE2-CZ3 3.7Å; F142-W707 HydrophobicContact CZ-CE3 4.5Å; F142-W707 HydrophobicContact CZ-CH2 4.02Å; F142-W707 AromaticContact CZ-CZ3 3.89Å; F142-W707 HydrophobicContact CZ-CZ3 3.89Å
143	N	93.4	Very high	92.9	Very high	31 Å²	31	44.2 Å²	44.2	17%	0.166	23%	0.228	C	C	.	.	H	α-helix	trans	-66	-38.1	179.3	-59	117	0	0	0	112.1	W139 S140 T141 I145 W146 E147	W139-N143 HydrophobicContact CD2-CB 4.26Å; W139-N143 HydrophobicContact CE3-CB 3.66Å; W139-N143 HydrophobicContact CH2-CB 4.41Å; W139-N143 HydrophobicContact CZ3-CB 3.75Å; S140-N143 PolarHBondContact N-OD1 3.24Å; S140-N143 PolarHBondContact O-N 3.21Å; S140-N143 VanDerWaalsContact O-N 3.09Å; S140-N143 PolarHBondContact OG-N 2.77Å; S140-N143 PolarHBondContact OG-OD1 3.34Å; T141-N143 PolarHBondContact O-N 3.2Å; N143-I145 VanDerWaalsContact C-N 3.34Å; N143-I145 PolarHBondContact O-N 3.47Å; N143-W146 PolarHBondContact O-N 3.36Å; N143-E147 PolarHBondContact O-N 3.22Å
144	S	91.8	Very high	93.3	Very high	41 Å²	41	44.8 Å²	44.8	29%	0.287	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-43	178.5	-176.2	0	0	0	0	111.9	S140 T141 F142 Q148	S140-S144 PolarHBondContact O-N 3.42Å; T141-S144 PolarHBondContact O-N 3.19Å; F142-S144 VanDerWaalsContact C-N 3.35Å; F142-S144 PolarHBondContact O-N 3.38Å; S144-Q148 WeakPolarHBondContact O-CG 3.45Å; S144-Q148 PolarHBondContact O-N 2.89Å
145	I	93.4	Very high	93.9	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-69.3	-43.1	177.3	-62.7	171.6	0	0	0	110.8	T141 F142 N143 E147 Q148 N149 V558 Q577 A578 F580	T141-I145 HydrophobicContact CG2-CD1 4.37Å; T141-I145 WeakPolarHBondContact O-CG1 3.19Å; T141-I145 PolarHBondContact O-N 3.05Å; F142-I145 PolarHBondContact O-N 3.43Å; N143-I145 VanDerWaalsContact C-N 3.34Å; N143-I145 PolarHBondContact O-N 3.47Å; I145-E147 VanDerWaalsContact C-N 3.3Å; I145-E147 PolarHBondContact O-N 3.45Å; I145-Q148 WeakPolarHBondContact O-CB 3.3Å; I145-Q148 PolarHBondContact O-N 3.18Å; I145-Q148 VanDerWaalsContact O-N 3.1Å; I145-N149 PolarHBondContact O-N 3.12Å; I145-V558 HydrophobicContact CB-CG1 4.17Å; I145-V558 HydrophobicContact CB-CG2 4.32Å; I145-V558 HydrophobicContact CD1-CG1 4.44Å; I145-V558 HydrophobicContact CG2-CG1 3.97Å; I145-V558 HydrophobicContact CG2-CG2 3.76Å; I145-Q577 VanDerWaalsContact CG2-CD 3.41Å; I145-Q577 HydrophobicContact CG2-CG 3.78Å; I145-A578 WeakPolarHBondContact CD1-O 3.47Å; I145-F580 HydrophobicContact CD1-CD2 3.7Å; I145-F580 HydrophobicContact CD1-CE2 3.47Å; I145-F580 VanDerWaalsContact CD1-CE2 3.47Å
146	W	94.3	Very high	94.4	Very high	75 Å²	75	44.4 Å²	44.4	28%	0.284	22%	0.216	S	C	.	.	H	α-helix	trans	-57.8	-45	176.8	179.5	85.6	0	0	0	111	F142 N143 Q148 N149 Q150 V558	F142-W146 WeakPolarHBondContact O-CB 3.38Å; F142-W146 PolarHBondContact O-N 2.94Å; N143-W146 PolarHBondContact O-N 3.36Å; W146-Q148 VanDerWaalsContact C-N 3.31Å; W146-Q148 PolarHBondContact O-N 3.13Å; W146-N149 PolarHBondContact O-N 3.44Å; W146-Q150 HydrophobicContact CD2-CG 3.73Å; W146-Q150 HydrophobicContact CE3-CG 3.9Å; W146-Q150 HydrophobicContact CG-CG 4.4Å; W146-Q150 HydrophobicContact CH2-CG 3.79Å; W146-Q150 HydrophobicContact CZ2-CG 3.61Å; W146-Q150 HydrophobicContact CZ3-CG 3.94Å; W146-Q150 WeakPolarHBondContact O-CG 3.46Å; W146-Q150 PolarHBondContact O-N 3.45Å; W146-V558 HydrophobicContact CB-CG2 4.07Å
147	E	93.1	Very high	94.7	Very high	51 Å²	51	42.1 Å²	42.1	24%	0.238	21%	0.207	C	C	.	.	H	α-helix	trans	-62.4	-35.2	176.1	-76.5	-161.1	177	0	0	113.4	R136 W139 N143 I145 Q150 A151	R136-E147 IonicContact CZ-OE1 2.68Å; R136-E147 IonicContact NE-OE1 3.81Å; R136-E147 PolarHBondContact NE-OE1 2.9Å; R136-E147 IonicContact NH2-OE1 3.04Å; R136-E147 PolarHBondContact NH2-OE1 3.01Å; W139-E147 HydrophobicContact CH2-CB 4.41Å; W139-E147 HydrophobicContact CH2-CG 3.85Å; W139-E147 WeakPolarHBondContact CH2-OE1 3.1Å; W139-E147 VanDerWaalsContact CH2-OE2 3.3Å; W139-E147 WeakPolarHBondContact CH2-OE2 3.49Å; W139-E147 VanDerWaalsContact CZ3-CD 3.47Å; W139-E147 HydrophobicContact CZ3-CG 4.05Å; W139-E147 VanDerWaalsContact CZ3-OE1 3.24Å; W139-E147 WeakPolarHBondContact CZ3-OE1 3.47Å; N143-E147 PolarHBondContact O-N 3.22Å; I145-E147 VanDerWaalsContact C-N 3.3Å; I145-E147 PolarHBondContact O-N 3.45Å; E147-Q150 PolarHBondContact O-N 3.37Å; E147-A151 WeakPolarHBondContact O-CB 3.3Å; E147-A151 PolarHBondContact O-N 3.2Å
148	Q	94.3	Very high	94.8	Very high	110 Å²	110	44.7 Å²	44.7	51%	0.514	22%	0.216	S	C	.	.	H	α-helix	trans	-64.8	-45.2	174.1	-68.7	170.1	36	0	0	111.3	S144 I145 W146 Q150 A151 L152	S144-Q148 WeakPolarHBondContact O-CG 3.45Å; S144-Q148 PolarHBondContact O-N 2.89Å; I145-Q148 WeakPolarHBondContact O-CB 3.3Å; I145-Q148 PolarHBondContact O-N 3.18Å; I145-Q148 VanDerWaalsContact O-N 3.1Å; W146-Q148 VanDerWaalsContact C-N 3.31Å; W146-Q148 PolarHBondContact O-N 3.13Å; Q148-Q150 VanDerWaalsContact C-N 3.33Å; Q148-Q150 PolarHBondContact O-N 3.44Å; Q148-A151 PolarHBondContact O-N 3Å; Q148-L152 PolarHBondContact O-N 3.45Å
149	N	95.9	Very high	94.4	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.032	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-45.4	175	-70.5	-2.8	0	0	0	110.9	I145 W146 A151 L152 L153 F444 P556 V558 Q577	I145-N149 PolarHBondContact O-N 3.12Å; W146-N149 PolarHBondContact O-N 3.44Å; N149-A151 VanDerWaalsContact C-N 3.34Å; N149-A151 PolarHBondContact O-N 2.95Å; N149-L152 WeakPolarHBondContact O-CB 3.44Å; N149-L152 PolarHBondContact O-N 3.45Å; N149-L153 VanDerWaalsContact O-CG 3.28Å; N149-L153 WeakPolarHBondContact O-CG 3.32Å; N149-L153 PolarHBondContact O-N 3.18Å; N149-F444 HydrophobicContact CB-CE2 3.89Å; N149-F444 HydrophobicContact CB-CZ 4.43Å; N149-P556 PolarHBondContact ND2-O 3.33Å; N149-V558 WeakPolarHBondContact ND2-CG2 3.4Å; N149-Q577 PolarHBondContact ND2-NE2 3.32Å; N149-Q577 PolarHBondContact OD1-NE2 2.91Å
150	Q	96.1	Very high	93.2	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-41.8	178.3	-63.5	-78.5	-59.2	0	0	111.7	W146 E147 Q148 L153 K154 W425	W146-Q150 HydrophobicContact CD2-CG 3.73Å; W146-Q150 HydrophobicContact CE3-CG 3.9Å; W146-Q150 HydrophobicContact CG-CG 4.4Å; W146-Q150 HydrophobicContact CH2-CG 3.79Å; W146-Q150 HydrophobicContact CZ2-CG 3.61Å; W146-Q150 HydrophobicContact CZ3-CG 3.94Å; W146-Q150 WeakPolarHBondContact O-CG 3.46Å; W146-Q150 PolarHBondContact O-N 3.45Å; E147-Q150 PolarHBondContact O-N 3.37Å; Q148-Q150 VanDerWaalsContact C-N 3.33Å; Q148-Q150 PolarHBondContact O-N 3.44Å; Q150-L153 PolarHBondContact O-N 3.11Å; Q150-K154 WeakPolarHBondContact O-CB 3.11Å; Q150-K154 PolarHBondContact O-N 3.44Å; Q150-W425 HydrophobicContact CB-CH2 4.49Å; Q150-W425 HydrophobicContact CB-CZ3 4.06Å
151	A	96.1	Very high	92.4	Very high	48 Å²	48	48.7 Å²	48.7	40%	0.397	27%	0.273	S	S	.	.	H	α-helix	trans	-64.7	-38.5	177.4	0	0	0	0	0	112.6	E147 Q148 N149 H155 W425	E147-A151 WeakPolarHBondContact O-CB 3.3Å; E147-A151 PolarHBondContact O-N 3.2Å; Q148-A151 PolarHBondContact O-N 3Å; N149-A151 VanDerWaalsContact C-N 3.34Å; N149-A151 PolarHBondContact O-N 2.95Å; A151-H155 PolarHBondContact O-N 3.15Å; A151-H155 VanDerWaalsContact O-N 3.13Å; A151-W425 HydrophobicContact CB-CH2 4.27Å
152	L	95.8	Very high	91.9	Very high	52 Å²	52	50.2 Å²	50.2	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-48.5	172.3	175.3	64.8	0	0	0	111.4	Q148 N149 K154 H155 L156 F444 A447 T448	Q148-L152 PolarHBondContact O-N 3.45Å; N149-L152 WeakPolarHBondContact O-CB 3.44Å; N149-L152 PolarHBondContact O-N 3.45Å; L152-K154 VanDerWaalsContact C-N 3.3Å; L152-K154 PolarHBondContact O-N 3.49Å; L152-H155 WeakPolarHBondContact O-CA 3.32Å; L152-H155 WeakPolarHBondContact O-CB 3.44Å; L152-H155 PolarHBondContact O-N 2.86Å; L152-L156 HydrophobicContact CD1-CD1 4.43Å; L152-L156 HydrophobicContact CD1-CG 4.34Å; L152-L156 HydrophobicContact CG-CD1 4.11Å; L152-L156 HydrophobicContact CG-CG 4.44Å; L152-L156 WeakPolarHBondContact O-CG 3.43Å; L152-L156 PolarHBondContact O-N 2.81Å; L152-F444 HydrophobicContact CD2-CD2 4.13Å; L152-F444 HydrophobicContact CD2-CE2 4.06Å; L152-A447 HydrophobicContact CD2-CB 4.4Å; L152-T448 HydrophobicContact CD2-CG2 3.11Å
153	L	97	Very high	91.1	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-41.6	179.2	-69.9	171.8	0	0	0	111.8	N149 Q150 H155 L156 L157 I429 L440 F444 P556	N149-L153 VanDerWaalsContact O-CG 3.28Å; N149-L153 WeakPolarHBondContact O-CG 3.32Å; N149-L153 PolarHBondContact O-N 3.18Å; Q150-L153 PolarHBondContact O-N 3.11Å; L153-H155 VanDerWaalsContact C-N 3.32Å; L153-H155 PolarHBondContact O-N 3.37Å; L153-L156 HydrophobicContact CD2-CD1 4.38Å; L153-L156 PolarHBondContact O-N 3.42Å; L153-L157 WeakPolarHBondContact O-CG 3.31Å; L153-L157 PolarHBondContact O-N 3.3Å; L153-I429 HydrophobicContact CB-CD1 4.1Å; L153-I429 HydrophobicContact CB-CG2 3.96Å; L153-I429 HydrophobicContact CD1-CG2 3.82Å; L153-L440 HydrophobicContact CB-CD1 4.47Å; L153-L440 HydrophobicContact CD1-CD2 3.96Å; L153-L440 HydrophobicContact CD1-CG 4.18Å; L153-L440 HydrophobicContact CD2-CD1 3.71Å; L153-L440 HydrophobicContact CD2-CD2 4.43Å; L153-L440 HydrophobicContact CD2-CG 3.75Å; L153-L440 HydrophobicContact CG-CD1 4.47Å; L153-L440 HydrophobicContact CG-CG 4.47Å; L153-F444 HydrophobicContact CD2-CB 3.9Å; L153-F444 HydrophobicContact CD2-CD2 3.99Å; L153-F444 HydrophobicContact CD2-CG 4.42Å; L153-F444 HydrophobicContact CG-CD2 4.27Å; L153-P556 HydrophobicContact CD1-CB 4.04Å; L153-P556 HydrophobicContact CD1-CG 4.43Å
154	K	97.1	Very high	90.5	Very high	55 Å²	55	53.7 Å²	53.7	24%	0.239	30%	0.3	C	S	.	.	H	α-helix	trans	-55.1	-48	170.9	-176.3	-161.2	-176.1	-66.8	0	111.5	Q150 L152 L156 L157 E158 W425 I429	Q150-K154 WeakPolarHBondContact O-CB 3.11Å; Q150-K154 PolarHBondContact O-N 3.44Å; L152-K154 VanDerWaalsContact C-N 3.3Å; L152-K154 PolarHBondContact O-N 3.49Å; K154-L156 VanDerWaalsContact C-N 3.31Å; K154-L156 PolarHBondContact O-N 2.98Å; K154-L157 PolarHBondContact O-N 3.4Å; K154-E158 HydrophobicContact CG-CG 4.5Å; K154-E158 WeakPolarHBondContact CG-OE1 3.3Å; K154-E158 VanDerWaalsContact NZ-CD 3.26Å; K154-E158 IonicContact NZ-OE1 2.67Å; K154-E158 PolarHBondContact NZ-OE1 2.85Å; K154-E158 IonicContact NZ-OE2 3.39Å; K154-E158 PolarHBondContact NZ-OE2 3.15Å; K154-E158 WeakPolarHBondContact O-CB 3.38Å; K154-E158 PolarHBondContact O-N 3.29Å; K154-W425 HydrophobicContact CB-CE3 3.77Å; K154-W425 HydrophobicContact CB-CZ3 3.88Å; K154-W425 HydrophobicContact CD-CB 4.45Å; K154-W425 HydrophobicContact CD-CD2 3.51Å; K154-W425 HydrophobicContact CD-CE3 3.6Å; K154-W425 HydrophobicContact CD-CG 3.91Å; K154-W425 HydrophobicContact CD-CH2 4.33Å; K154-W425 HydrophobicContact CD-CZ2 4.27Å; K154-W425 HydrophobicContact CD-CZ3 4.01Å; K154-W425 HydrophobicContact CG-CD2 4.15Å; K154-W425 HydrophobicContact CG-CE3 3.85Å; K154-W425 HydrophobicContact CG-CG 4.48Å; K154-W425 HydrophobicContact CG-CZ3 4.36Å; K154-I429 HydrophobicContact CB-CD1 4.45Å; K154-I429 HydrophobicContact CB-CG1 4.46Å
155	H	95.7	Very high	90.3	Very high	119 Å²	119	55.8 Å²	55.8	55%	0.551	31%	0.311	S	S	*	.	H	α-helix	trans	-61.5	-40.3	178.6	179.6	61	0	0	0	112.1	A151 L152 L153 N159	A151-H155 PolarHBondContact O-N 3.15Å; A151-H155 VanDerWaalsContact O-N 3.13Å; L152-H155 WeakPolarHBondContact O-CA 3.32Å; L152-H155 WeakPolarHBondContact O-CB 3.44Å; L152-H155 PolarHBondContact O-N 2.86Å; L153-H155 VanDerWaalsContact C-N 3.32Å; L153-H155 PolarHBondContact O-N 3.37Å; H155-N159 PolarHBondContact O-N 3.01Å
156	L	94.4	Very high	90.3	Very high	36 Å²	36	55.7 Å²	55.7	19%	0.188	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-44.1	178.4	-66	171.8	0	0	0	112	L152 L153 K154 F162 L443 A447	L152-L156 HydrophobicContact CD1-CD1 4.43Å; L152-L156 HydrophobicContact CD1-CG 4.34Å; L152-L156 HydrophobicContact CG-CD1 4.11Å; L152-L156 HydrophobicContact CG-CG 4.44Å; L152-L156 WeakPolarHBondContact O-CG 3.43Å; L152-L156 PolarHBondContact O-N 2.81Å; L153-L156 HydrophobicContact CD2-CD1 4.38Å; L153-L156 PolarHBondContact O-N 3.42Å; K154-L156 VanDerWaalsContact C-N 3.31Å; K154-L156 PolarHBondContact O-N 2.98Å; L156-F162 WeakPolarHBondContact O-CD2 3.39Å; L156-L443 HydrophobicContact CD1-CB 4.27Å; L156-A447 HydrophobicContact CD1-CB 3.96Å; L156-A447 HydrophobicContact CD2-CB 4.09Å
157	L	95.8	Very high	90.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-77.7	-30.6	-177.2	-66.5	177.8	0	0	0	114	L153 K154 T172 Q173 Y176 I429 L440 L443	L153-L157 WeakPolarHBondContact O-CG 3.31Å; L153-L157 PolarHBondContact O-N 3.3Å; K154-L157 PolarHBondContact O-N 3.4Å; L157-T172 HydrophobicContact CD2-CG2 4.09Å; L157-Q173 HydrophobicContact CD2-CB 4.4Å; L157-Q173 PolarHBondContact O-NE2 3.42Å; L157-Y176 HydrophobicContact CB-CD1 3.83Å; L157-Y176 HydrophobicContact CB-CE1 4.12Å; L157-Y176 HydrophobicContact CB-CG 4.35Å; L157-Y176 HydrophobicContact CD1-CD1 4Å; L157-Y176 HydrophobicContact CD1-CD2 3.98Å; L157-Y176 HydrophobicContact CD1-CG 3.64Å; L157-I429 HydrophobicContact CD1-CD1 3.58Å; L157-L440 HydrophobicContact CD1-CD1 3.83Å; L157-L440 HydrophobicContact CD2-CD1 4.21Å; L157-L440 HydrophobicContact CG-CD1 4.17Å; L157-L443 HydrophobicContact CD2-CD1 3.7Å
158	E	94.5	Very high	90.6	Very high	78 Å²	78	54 Å²	54	36%	0.364	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	5.3	-179.7	-66.5	-177.5	-160.4	0	0	114	K154 G160 Y176	K154-E158 HydrophobicContact CG-CG 4.5Å; K154-E158 WeakPolarHBondContact CG-OE1 3.3Å; K154-E158 VanDerWaalsContact NZ-CD 3.26Å; K154-E158 IonicContact NZ-OE1 2.67Å; K154-E158 PolarHBondContact NZ-OE1 2.85Å; K154-E158 IonicContact NZ-OE2 3.39Å; K154-E158 PolarHBondContact NZ-OE2 3.15Å; K154-E158 WeakPolarHBondContact O-CB 3.38Å; K154-E158 PolarHBondContact O-N 3.29Å; E158-G160 PolarHBondContact O-N 3.13Å; E158-Y176 HydrophobicContact CG-CE1 3.6Å; E158-Y176 PolarHBondContact OE1-OH 3.32Å
159	N	84.3	Confident	90.7	Very high	64 Å²	64	49 Å²	49	34%	0.342	28%	0.282	S	S	.	.			trans	-64.5	125.2	179.9	-168.1	-11.1	0	0	0	110.6	H155 T161 F162	H155-N159 PolarHBondContact O-N 3.01Å; N159-T161 PolarHBondContact O-N 3.44Å; N159-T161 PolarHBondContact OD1-N 3.21Å; N159-T161 PolarHBondContact OD1-OG1 2.86Å; N159-F162 VanDerWaalsContact O-CB 3.23Å; N159-F162 WeakPolarHBondContact O-CB 3.39Å; N159-F162 PolarHBondContact O-N 2.9Å
160	G	71.4	Confident	90.7	Very high	84 Å²	84	54.4 Å²	54.4	87%	0.866	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-10.9	-179.9	0	0	0	0	0	114.5	E158	E158-G160 PolarHBondContact O-N 3.13Å
161	T	77.3	Confident	90.8	Very high	113 Å²	113	55.3 Å²	55.3	69%	0.693	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	19.3	171.2	59.7	0	0	0	0	112.9	N159 N163	N159-T161 PolarHBondContact O-N 3.44Å; N159-T161 PolarHBondContact OD1-N 3.21Å; N159-T161 PolarHBondContact OD1-OG1 2.86Å; T161-N163 PolarHBondContact O-N 2.93Å; T161-N163 VanDerWaalsContact O-N 3.1Å
162	F	83.6	Confident	90.8	Very high	44 Å²	44	53 Å²	53	19%	0.193	29%	0.287	C	S	.	.			trans	-52.7	120.8	178.1	-179.6	-94.4	0	0	0	110.3	L156 N159 E169 Q173 L443	L156-F162 WeakPolarHBondContact O-CD2 3.39Å; N159-F162 VanDerWaalsContact O-CB 3.23Å; N159-F162 WeakPolarHBondContact O-CB 3.39Å; N159-F162 PolarHBondContact O-N 2.9Å; F162-E169 HydrophobicContact CZ-CB 4.38Å; F162-E169 WeakPolarHBondContact CZ-O 3.29Å; F162-Q173 VanDerWaalsContact CB-NE2 3.31Å; F162-Q173 HydrophobicContact CD1-CB 4.29Å; F162-Q173 HydrophobicContact CD1-CG 4.29Å; F162-Q173 HydrophobicContact CE1-CB 3.78Å; F162-Q173 HydrophobicContact CE1-CG 4.28Å; F162-Q173 VanDerWaalsContact CG-NE2 3.29Å; F162-Q173 HydrophobicContact CZ-CB 4.02Å; F162-L443 HydrophobicContact CE2-CD1 4.03Å; F162-L443 HydrophobicContact CE2-CD2 4.16Å; F162-L443 HydrophobicContact CZ-CD1 4.45Å
163	N	78.2	Confident	90.9	Very high	141 Å²	141	52.5 Å²	52.5	75%	0.754	28%	0.284	S	S	*	.			trans	-131.2	83.3	178	-172.7	18.8	0	0	0	107.8	T161 T165	T161-N163 PolarHBondContact O-N 2.93Å; T161-N163 VanDerWaalsContact O-N 3.1Å; N163-T165 PolarHBondContact O-N 2.74Å
164	G	80.1	Confident	90.9	Very high	4 Å²	4	53.9 Å²	53.9	4%	0.041	29%	0.293	C	S	.	.			trans	-56.6	121.5	175.7	0	0	0	0	0	110.4	S166 E169 R170	G164-S166 VanDerWaalsContact C-N 3.25Å; G164-S166 PolarHBondContact O-N 2.72Å; G164-E169 WeakPolarHBondContact CA-OE2 3.24Å; G164-R170 PolarHBondContact O-NH1 2.92Å; G164-R170 VanDerWaalsContact O-NH1 3.14Å
165	T	87.3	Confident	90.9	Very high	85 Å²	85	51.3 Å²	51.3	52%	0.521	28%	0.282	S	S	.	.	S	Bend	trans	-71.9	-20.5	179.7	55.6	0	0	0	0	112.6	N163 E169 K446	N163-T165 PolarHBondContact O-N 2.74Å; T165-E169 WeakPolarHBondContact CA-OE2 3.47Å; T165-E169 PolarHBondContact N-OE2 3.25Å; T165-E169 PolarHBondContact OG1-OE1 2.91Å; T165-E169 PolarHBondContact OG1-OE2 2.89Å; T165-K446 PolarHBondContact OG1-NZ 3.3Å
166	S	94.8	Very high	91	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.014	26%	0.256	C	S	.	.	S	Bend	trans	-127.4	166.3	177.3	99.2	0	0	0	0	111.9	G164 A168 E169 R170 D510	G164-S166 VanDerWaalsContact C-N 3.25Å; G164-S166 PolarHBondContact O-N 2.72Å; S166-A168 PolarHBondContact OG-N 3.22Å; S166-E169 PolarHBondContact OG-N 3.24Å; S166-R170 PolarHBondContact O-N 2.77Å; S166-D510 WeakPolarHBondContact CB-OD1 3.49Å; S166-D510 PolarHBondContact OG-OD1 3.44Å
167	E	96.1	Very high	91.1	Very high	90 Å²	90	47.7 Å²	47.7	42%	0.421	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-41	171.9	-171.5	-178.4	143.8	0	0	112.4	E169 R170 K171 D510	E167-E169 VanDerWaalsContact C-N 3.32Å; E167-E169 PolarHBondContact O-N 3.39Å; E167-R170 WeakPolarHBondContact O-CA 3.21Å; E167-R170 WeakPolarHBondContact O-CB 3.04Å; E167-R170 PolarHBondContact O-N 2.85Å; E167-K171 HydrophobicContact CG-CD 4.47Å; E167-K171 PolarHBondContact O-N 3.06Å; E167-K171 WeakPolarHBondContact OE1-CE 3.5Å; E167-K171 IonicContact OE1-NZ 2.96Å; E167-K171 PolarHBondContact OE1-NZ 3.17Å; E167-D510 VanDerWaalsContact N-CG 3.28Å; E167-D510 PolarHBondContact N-OD1 2.99Å; E167-D510 PolarHBondContact N-OD2 3Å
168	A	97.4	Very high	91.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-41.4	176.4	0	0	0	0	0	112.3	S166 R170 K171 T172 A439 L509 D510 Y513	S166-A168 PolarHBondContact OG-N 3.22Å; A168-R170 VanDerWaalsContact C-N 3.33Å; A168-R170 PolarHBondContact O-N 3.14Å; A168-K171 PolarHBondContact O-N 2.61Å; A168-T172 WeakPolarHBondContact O-CB 3.45Å; A168-T172 PolarHBondContact O-N 3.27Å; A168-T172 PolarHBondContact O-OG1 3.34Å; A168-A439 HydrophobicContact CB-CB 3.93Å; A168-L509 HydrophobicContact CB-CD2 4.25Å; A168-L509 HydrophobicContact CB-CG 3.87Å; A168-D510 WeakPolarHBondContact CB-OD1 3.45Å; A168-D510 PolarHBondContact N-OD1 2.88Å; A168-Y513 HydrophobicContact CB-CD2 3.6Å; A168-Y513 HydrophobicContact CB-CE2 4.32Å; A168-Y513 HydrophobicContact CB-CG 4.34Å
169	E	96.9	Very high	91.3	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.014	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-39.3	173.9	-71.6	179.6	167.9	0	0	111.8	F162 G164 T165 S166 E167 T172 Q173 L443 K446 L509	F162-E169 HydrophobicContact CZ-CB 4.38Å; F162-E169 WeakPolarHBondContact CZ-O 3.29Å; G164-E169 WeakPolarHBondContact CA-OE2 3.24Å; T165-E169 WeakPolarHBondContact CA-OE2 3.47Å; T165-E169 PolarHBondContact N-OE2 3.25Å; T165-E169 PolarHBondContact OG1-OE1 2.91Å; T165-E169 PolarHBondContact OG1-OE2 2.89Å; S166-E169 PolarHBondContact OG-N 3.24Å; E167-E169 VanDerWaalsContact C-N 3.32Å; E167-E169 PolarHBondContact O-N 3.39Å; E169-T172 WeakPolarHBondContact O-CB 3.49Å; E169-T172 PolarHBondContact O-N 3.14Å; E169-Q173 PolarHBondContact O-N 3.4Å; E169-Q173 VanDerWaalsContact O-N 3.15Å; E169-L443 HydrophobicContact CB-CD2 4.49Å; E169-L443 HydrophobicContact CG-CD2 4.01Å; E169-L443 HydrophobicContact CG-CG 4.28Å; E169-K446 IonicContact OE1-NZ 2.86Å; E169-K446 PolarHBondContact OE1-NZ 3.41Å; E169-K446 IonicContact OE2-NZ 3.13Å; E169-L509 HydrophobicContact CG-CD2 4.38Å
170	R	95.6	Very high	91.9	Very high	121 Å²	121	43.3 Å²	43.3	46%	0.457	25%	0.246	S	C	.	.	H	α-helix	trans	-67.4	-44.6	175.4	-68.6	-175.4	-70.2	-97.6	1.3	112	G164 S166 E167 A168 T172 Q173 S174	G164-R170 PolarHBondContact O-NH1 2.92Å; G164-R170 VanDerWaalsContact O-NH1 3.14Å; S166-R170 PolarHBondContact O-N 2.77Å; E167-R170 WeakPolarHBondContact O-CA 3.21Å; E167-R170 WeakPolarHBondContact O-CB 3.04Å; E167-R170 PolarHBondContact O-N 2.85Å; A168-R170 VanDerWaalsContact C-N 3.33Å; A168-R170 PolarHBondContact O-N 3.14Å; R170-T172 PolarHBondContact O-N 2.92Å; R170-Q173 PolarHBondContact O-N 3.27Å; R170-Q173 VanDerWaalsContact O-N 3.16Å; R170-S174 PolarHBondContact O-N 3.1Å
171	K	97	Very high	93.1	Very high	22 Å²	22	42.4 Å²	42.4	10%	0.096	22%	0.221	C	C	.	.	H	α-helix	trans	-56.3	-39.5	172.7	-74.7	178.4	-179.5	172.1	0	111.4	E167 A168 S174 Y175 L436 Y513 Y516 V518	E167-K171 HydrophobicContact CG-CD 4.47Å; E167-K171 PolarHBondContact O-N 3.06Å; E167-K171 WeakPolarHBondContact OE1-CE 3.5Å; E167-K171 IonicContact OE1-NZ 2.96Å; E167-K171 PolarHBondContact OE1-NZ 3.17Å; A168-K171 PolarHBondContact O-N 2.61Å; K171-S174 PolarHBondContact O-N 3.24Å; K171-Y175 WeakPolarHBondContact O-CB 3.41Å; K171-Y175 PolarHBondContact O-N 3.3Å; K171-L436 HydrophobicContact CB-CD1 4.46Å; K171-Y513 PolarHBondContact NZ-O 3.13Å; K171-Y516 WeakPolarHBondContact CE-O 3.38Å; K171-Y516 PolarHBondContact NZ-O 3.06Å; K171-V518 HydrophobicContact CB-CB 4.49Å; K171-V518 HydrophobicContact CB-CG2 4.03Å; K171-V518 HydrophobicContact CG-CB 4.47Å; K171-V518 HydrophobicContact CG-CG2 4.26Å
172	T	97.4	Very high	94	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-46.4	176.6	-56.2	0	0	0	0	111.7	L157 A168 E169 R170 Y176 T432 L436 A439 L440	L157-T172 HydrophobicContact CD2-CG2 4.09Å; A168-T172 WeakPolarHBondContact O-CB 3.45Å; A168-T172 PolarHBondContact O-N 3.27Å; A168-T172 PolarHBondContact O-OG1 3.34Å; E169-T172 WeakPolarHBondContact O-CB 3.49Å; E169-T172 PolarHBondContact O-N 3.14Å; R170-T172 PolarHBondContact O-N 2.92Å; T172-Y176 WeakPolarHBondContact O-CB 3.36Å; T172-Y176 PolarHBondContact O-N 3.13Å; T172-Y176 VanDerWaalsContact O-N 3.13Å; T172-T432 HydrophobicContact CG2-CG2 3.51Å; T172-L436 VanDerWaalsContact CA-CD1 3.46Å; T172-L436 HydrophobicContact CG2-CB 4.33Å; T172-A439 WeakPolarHBondContact OG1-CB 3.32Å; T172-L440 HydrophobicContact CG2-CB 4.09Å; T172-L440 HydrophobicContact CG2-CD1 3.98Å
173	Q	96.7	Very high	94.6	Very high	41 Å²	41	44.6 Å²	44.6	19%	0.192	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-48.4	175.1	-171.7	-174.9	46.8	0	0	111.9	L157 F162 E169 R170 Y175 Y176 L177	L157-Q173 HydrophobicContact CD2-CB 4.4Å; L157-Q173 PolarHBondContact O-NE2 3.42Å; F162-Q173 VanDerWaalsContact CB-NE2 3.31Å; F162-Q173 HydrophobicContact CD1-CB 4.29Å; F162-Q173 HydrophobicContact CD1-CG 4.29Å; F162-Q173 HydrophobicContact CE1-CB 3.78Å; F162-Q173 HydrophobicContact CE1-CG 4.28Å; F162-Q173 VanDerWaalsContact CG-NE2 3.29Å; F162-Q173 HydrophobicContact CZ-CB 4.02Å; E169-Q173 PolarHBondContact O-N 3.4Å; E169-Q173 VanDerWaalsContact O-N 3.15Å; R170-Q173 PolarHBondContact O-N 3.27Å; R170-Q173 VanDerWaalsContact O-N 3.16Å; Q173-Y175 VanDerWaalsContact C-N 3.32Å; Q173-Y175 PolarHBondContact O-N 3.02Å; Q173-Y176 WeakPolarHBondContact O-CB 3.42Å; Q173-Y176 PolarHBondContact O-N 3.13Å; Q173-L177 HydrophobicContact CG-CD1 3.91Å; Q173-L177 HydrophobicContact CG-CG 4.22Å; Q173-L177 WeakPolarHBondContact O-CG 3.49Å; Q173-L177 PolarHBondContact O-N 2.9Å
174	S	96.4	Very high	95.5	Very high	29 Å²	29	42.2 Å²	42.2	20%	0.203	21%	0.209	C	C	.	.	H	α-helix	trans	-56.8	-44.1	178.3	-81.3	0	0	0	0	112.4	R170 K171 L177 S178 D520	R170-S174 PolarHBondContact O-N 3.1Å; K171-S174 PolarHBondContact O-N 3.24Å; S174-L177 PolarHBondContact O-N 2.8Å; S174-S178 WeakPolarHBondContact O-CB 3.41Å; S174-S178 PolarHBondContact O-N 3.03Å; S174-D520 WeakPolarHBondContact CB-OD1 3.37Å; S174-D520 PolarHBondContact OG-OD1 3.29Å
175	Y	97.6	Very high	96.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-50	177.1	-173.9	-90.8	0	0	0	111.1	K171 Q173 L177 S178 C179 N431 T432 T435 L436 Y516 V518 F523 N526 M527	K171-Y175 WeakPolarHBondContact O-CB 3.41Å; K171-Y175 PolarHBondContact O-N 3.3Å; Q173-Y175 VanDerWaalsContact C-N 3.32Å; Q173-Y175 PolarHBondContact O-N 3.02Å; Y175-L177 PolarHBondContact O-N 2.87Å; Y175-S178 PolarHBondContact O-N 3.41Å; Y175-S178 PolarHBondContact O-OG 3.14Å; Y175-C179 PolarHBondContact O-N 3.25Å; Y175-C179 VanDerWaalsContact O-N 3.16Å; Y175-N431 HydrophobicContact CE1-CB 4.25Å; Y175-N431 WeakPolarHBondContact CE1-O 3.46Å; Y175-T432 HydrophobicContact CD1-CG2 4.3Å; Y175-T435 HydrophobicContact CD2-CG2 4.26Å; Y175-T435 HydrophobicContact CE1-CG2 4.39Å; Y175-T435 HydrophobicContact CE2-CG2 3.84Å; Y175-T435 PolarHBondContact OH-OG1 3.4Å; Y175-L436 HydrophobicContact CG-CD1 4.24Å; Y175-Y516 VanDerWaalsContact CD2-OH 3.22Å; Y175-Y516 WeakPolarHBondContact CD2-OH 3.25Å; Y175-Y516 VanDerWaalsContact CE2-OH 3.29Å; Y175-Y516 WeakPolarHBondContact CE2-OH 3.43Å; Y175-V518 HydrophobicContact CD2-CG1 4.47Å; Y175-F523 AromaticContact CE1-CE2 3.9Å; Y175-F523 HydrophobicContact CE1-CE2 3.9Å; Y175-F523 HydrophobicContact CE2-CE2 4.37Å; Y175-F523 AromaticContact CZ-CE2 3.69Å; Y175-N526 HydrophobicContact CD2-CB 3.68Å; Y175-N526 HydrophobicContact CE2-CB 3.58Å; Y175-M527 PolarHBondContact OH-SD 3.4Å
176	Y	97.8	Very high	96.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58	-47	177.3	172.6	-104.9	0	0	0	112.6	L157 E158 T172 Q173 S178 C179 L180 W425 C428 I429	L157-Y176 HydrophobicContact CB-CD1 3.83Å; L157-Y176 HydrophobicContact CB-CE1 4.12Å; L157-Y176 HydrophobicContact CB-CG 4.35Å; L157-Y176 HydrophobicContact CD1-CD1 4Å; L157-Y176 HydrophobicContact CD1-CD2 3.98Å; L157-Y176 HydrophobicContact CD1-CG 3.64Å; E158-Y176 HydrophobicContact CG-CE1 3.6Å; E158-Y176 PolarHBondContact OE1-OH 3.32Å; T172-Y176 WeakPolarHBondContact O-CB 3.36Å; T172-Y176 PolarHBondContact O-N 3.13Å; T172-Y176 VanDerWaalsContact O-N 3.13Å; Q173-Y176 WeakPolarHBondContact O-CB 3.42Å; Q173-Y176 PolarHBondContact O-N 3.13Å; Y176-S178 VanDerWaalsContact C-N 3.35Å; Y176-S178 PolarHBondContact O-N 3.26Å; Y176-C179 WeakPolarHBondContact O-CB 3.46Å; Y176-C179 PolarHBondContact O-N 3.1Å; Y176-L180 HydrophobicContact CD1-CD1 4.08Å; Y176-L180 HydrophobicContact CE1-CD1 3.33Å; Y176-L180 HydrophobicContact CE1-CG 4.07Å; Y176-L180 HydrophobicContact CE2-CD1 4.32Å; Y176-L180 HydrophobicContact CE2-CG 4.26Å; Y176-L180 VanDerWaalsContact CZ-CD1 3.49Å; Y176-L180 PolarHBondContact O-N 2.84Å; Y176-L180 VanDerWaalsContact O-N 3.12Å; Y176-W425 WeakPolarHBondContact OH-CB 3.49Å; Y176-C428 HydrophobicContact CD2-CB 3.72Å; Y176-C428 HydrophobicContact CE2-CB 3.68Å; Y176-I429 HydrophobicContact CD2-CD1 3.7Å; Y176-I429 HydrophobicContact CD2-CG1 4.33Å; Y176-I429 HydrophobicContact CE2-CD1 3.39Å; Y176-I429 HydrophobicContact CE2-CG1 3.75Å
177	L	97	Very high	97	Very high	79 Å²	79	48.4 Å²	48.4	41%	0.414	23%	0.231	S	C	.	.	H	α-helix	trans	-65.5	-36.9	179.1	-67.7	178.1	0	0	0	112.2	Q173 S174 Y175 C179 L180 N181	Q173-L177 HydrophobicContact CG-CD1 3.91Å; Q173-L177 HydrophobicContact CG-CG 4.22Å; Q173-L177 WeakPolarHBondContact O-CG 3.49Å; Q173-L177 PolarHBondContact O-N 2.9Å; S174-L177 PolarHBondContact O-N 2.8Å; Y175-L177 PolarHBondContact O-N 2.87Å; L177-C179 VanDerWaalsContact C-N 3.28Å; L177-C179 PolarHBondContact O-N 2.84Å; L177-L180 HydrophobicContact CD2-CD1 4.3Å; L177-L180 PolarHBondContact O-N 3.17Å; L177-N181 PolarHBondContact O-N 3.29Å
178	S	97.4	Very high	97	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.028	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-38.1	174.6	80.6	0	0	0	0	111.8	S174 Y175 Y176 N181 N526	S174-S178 WeakPolarHBondContact O-CB 3.41Å; S174-S178 PolarHBondContact O-N 3.03Å; Y175-S178 PolarHBondContact O-N 3.41Å; Y175-S178 PolarHBondContact O-OG 3.14Å; Y176-S178 VanDerWaalsContact C-N 3.35Å; Y176-S178 PolarHBondContact O-N 3.26Å; S178-N181 PolarHBondContact O-N 3.49Å; S178-N526 PolarHBondContact OG-ND2 3.01Å
179	C	97.2	Very high	97	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.3	-34.7	176.3	176	0	0	0	0	112.7	Y175 Y176 L177 N181 R424 C428 F523	Y175-C179 PolarHBondContact O-N 3.25Å; Y175-C179 VanDerWaalsContact O-N 3.16Å; Y176-C179 WeakPolarHBondContact O-CB 3.46Å; Y176-C179 PolarHBondContact O-N 3.1Å; L177-C179 VanDerWaalsContact C-N 3.28Å; L177-C179 PolarHBondContact O-N 2.84Å; C179-N181 VanDerWaalsContact C-N 3.31Å; C179-R424 PolarHBondContact O-NE 2.7Å; C179-R424 PolarHBondContact O-NH2 3.33Å; C179-R424 PolarHBondContact SG-NH2 3.21Å; C179-C428 HydrophobicContact CB-CB 3.66Å; C179-C428 WeakPolarHBondContact CB-SG 3.49Å; C179-C428 PolarHBondContact O-SG 2.86Å; C179-C428 VanDerWaalsContact O-SG 3.36Å; C179-C428 WeakPolarHBondContact SG-CA 3.49Å; C179-C428 WeakPolarHBondContact SG-CB 3.45Å; C179-C428 CovalentContact SG-SG 2.04Å; C179-C428 PolarHBondContact SG-SG 3.43Å; C179-F523 HydrophobicContact CB-CD1 4.41Å; C179-F523 HydrophobicContact CB-CD2 3.62Å; C179-F523 HydrophobicContact CB-CE1 4.35Å; C179-F523 HydrophobicContact CB-CE2 3.59Å; C179-F523 HydrophobicContact CB-CG 4.06Å; C179-F523 HydrophobicContact CB-CZ 3.98Å
180	L	96.9	Very high	97	Very high	47 Å²	47	47.5 Å²	47.5	25%	0.246	23%	0.233	C	C	.	.	H	α-helix	trans	-71.5	-23.4	177.5	-77.5	-175.8	0	0	0	113.5	Y176 L177 T182 R424 W425 C428	Y176-L180 HydrophobicContact CD1-CD1 4.08Å; Y176-L180 HydrophobicContact CE1-CD1 3.33Å; Y176-L180 HydrophobicContact CE1-CG 4.07Å; Y176-L180 HydrophobicContact CE2-CD1 4.32Å; Y176-L180 HydrophobicContact CE2-CG 4.26Å; Y176-L180 VanDerWaalsContact CZ-CD1 3.49Å; Y176-L180 PolarHBondContact O-N 2.84Å; Y176-L180 VanDerWaalsContact O-N 3.12Å; L177-L180 HydrophobicContact CD2-CD1 4.3Å; L177-L180 PolarHBondContact O-N 3.17Å; L180-T182 PolarHBondContact O-N 2.88Å; L180-R424 HydrophobicContact CD2-CG 4.39Å; L180-W425 HydrophobicContact CD2-CB 3.93Å; L180-C428 HydrophobicContact CD2-CB 4.36Å
181	N	96.9	Very high	97.1	Very high	65 Å²	65	46.3 Å²	46.3	35%	0.348	23%	0.232	S	C	.	.			trans	-75.7	70.9	-176.7	-169.9	-6.6	0	0	0	111.9	L177 S178 C179 Q183 R184 I185	L177-N181 PolarHBondContact O-N 3.29Å; S178-N181 PolarHBondContact O-N 3.49Å; C179-N181 VanDerWaalsContact C-N 3.31Å; N181-Q183 PolarHBondContact O-N 3.38Å; N181-R184 HydrophobicContact CB-CB 4.37Å; N181-R184 PolarHBondContact O-N 2.8Å; N181-R184 VanDerWaalsContact O-N 3.16Å; N181-R184 PolarHBondContact OD1-N 2.99Å; N181-I185 WeakPolarHBondContact O-CG1 3.48Å; N181-I185 PolarHBondContact O-N 2.79Å
182	T	96.1	Very high	97.1	Very high	71 Å²	71	46.3 Å²	46.3	44%	0.436	24%	0.235	S	C	.	.	H	α-helix	trans	-62.3	-32.1	-179.4	56.5	0	0	0	0	112.3	L180 R184 I185 E186 R424	L180-T182 PolarHBondContact O-N 2.88Å; T182-R184 VanDerWaalsContact C-N 3.29Å; T182-R184 PolarHBondContact O-N 2.72Å; T182-I185 PolarHBondContact O-N 2.87Å; T182-E186 WeakPolarHBondContact O-CB 3.27Å; T182-E186 VanDerWaalsContact O-CG 3.24Å; T182-E186 WeakPolarHBondContact O-CG 3.31Å; T182-E186 PolarHBondContact O-N 3.06Å; T182-R424 HydrophobicContact CG2-CG 4.04Å
183	Q	97	Very high	97.1	Very high	131 Å²	131	46.3 Å²	46.3	61%	0.612	24%	0.235	S	C	*	.	H	α-helix	trans	-55	-48.3	174.7	-179	-176.4	-12.1	0	0	110.8	N181 I185 E186 E187	N181-Q183 PolarHBondContact O-N 3.38Å; Q183-I185 PolarHBondContact O-N 2.92Å; Q183-E186 PolarHBondContact O-N 3.14Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.48Å; Q183-E187 PolarHBondContact NE2-OE1 3.2Å; Q183-E187 WeakPolarHBondContact O-CB 3.35Å; Q183-E187 VanDerWaalsContact O-CG 3.26Å; Q183-E187 WeakPolarHBondContact O-CG 3.39Å; Q183-E187 PolarHBondContact O-N 3.23Å
184	R	96.7	Very high	97.1	Very high	91 Å²	91	46.7 Å²	46.7	34%	0.343	24%	0.238	S	C	.	.	H	α-helix	trans	-66.8	-37.6	179.7	-177.7	55	178.4	160.1	1.9	112.7	N181 T182 E187 L188 D521	N181-R184 HydrophobicContact CB-CB 4.37Å; N181-R184 PolarHBondContact O-N 2.8Å; N181-R184 VanDerWaalsContact O-N 3.16Å; N181-R184 PolarHBondContact OD1-N 2.99Å; T182-R184 VanDerWaalsContact C-N 3.29Å; T182-R184 PolarHBondContact O-N 2.72Å; R184-E187 IonicContact NH1-OE2 2.92Å; R184-E187 PolarHBondContact O-N 3.13Å; R184-L188 HydrophobicContact CG-CD1 4.38Å; R184-L188 WeakPolarHBondContact O-CG 3.42Å; R184-L188 PolarHBondContact O-N 3.13Å; R184-L188 VanDerWaalsContact O-N 3.11Å; R184-D521 WeakPolarHBondContact CG-O 3.32Å; R184-D521 PolarHBondContact NE-O 2.91Å
185	I	97.4	Very high	97.2	Very high	13 Å²	13	49.6 Å²	49.6	7%	0.067	25%	0.251	C	S	.	.	H	α-helix	trans	-64.5	-45.2	177.4	-64	170.6	0	0	0	110.4	N181 T182 Q183 L188 G189 L399 F523	N181-I185 WeakPolarHBondContact O-CG1 3.48Å; N181-I185 PolarHBondContact O-N 2.79Å; T182-I185 PolarHBondContact O-N 2.87Å; Q183-I185 PolarHBondContact O-N 2.92Å; I185-L188 PolarHBondContact O-N 3.32Å; I185-G189 PolarHBondContact O-N 2.66Å; I185-L399 VanDerWaalsContact CG2-C 3.49Å; I185-L399 WeakPolarHBondContact CG2-O 3.34Å; I185-F523 HydrophobicContact CD1-CB 4.32Å; I185-F523 HydrophobicContact CD1-CD1 4.17Å
186	E	97.6	Very high	97.2	Very high	92 Å²	92	50.2 Å²	50.2	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-38.9	176	-67.5	-62.3	142	0	0	112.2	T182 Q183 L188 G189 Q401	T182-E186 WeakPolarHBondContact O-CB 3.27Å; T182-E186 VanDerWaalsContact O-CG 3.24Å; T182-E186 WeakPolarHBondContact O-CG 3.31Å; T182-E186 PolarHBondContact O-N 3.06Å; Q183-E186 PolarHBondContact O-N 3.14Å; E186-L188 VanDerWaalsContact C-N 3.32Å; E186-L188 PolarHBondContact O-N 3.33Å; E186-G189 PolarHBondContact O-N 2.83Å; E186-Q401 VanDerWaalsContact OE1-CB 3.24Å; E186-Q401 WeakPolarHBondContact OE1-CB 3.37Å; E186-Q401 PolarHBondContact OE1-N 2.99Å
187	E	97.5	Very high	97.2	Very high	116 Å²	116	50.5 Å²	50.5	54%	0.542	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-36.8	175.2	-77.4	171.3	-170.1	0	0	112.8	Q183 R184	Q183-E187 WeakPolarHBondContact CG-OE1 3.48Å; Q183-E187 PolarHBondContact NE2-OE1 3.2Å; Q183-E187 WeakPolarHBondContact O-CB 3.35Å; Q183-E187 VanDerWaalsContact O-CG 3.26Å; Q183-E187 WeakPolarHBondContact O-CG 3.39Å; Q183-E187 PolarHBondContact O-N 3.23Å; R184-E187 IonicContact NH1-OE2 2.92Å; R184-E187 PolarHBondContact O-N 3.13Å
188	L	96.8	Very high	97.1	Very high	48 Å²	48	49.9 Å²	49.9	25%	0.251	26%	0.262	S	S	.	.	H	α-helix	trans	-78.9	-32.9	178.1	-72.1	173.7	0	0	0	112.5	R184 I185 E186 S190 Q191 P192	R184-L188 HydrophobicContact CG-CD1 4.38Å; R184-L188 WeakPolarHBondContact O-CG 3.42Å; R184-L188 PolarHBondContact O-N 3.13Å; R184-L188 VanDerWaalsContact O-N 3.11Å; I185-L188 PolarHBondContact O-N 3.32Å; E186-L188 VanDerWaalsContact C-N 3.32Å; E186-L188 PolarHBondContact O-N 3.33Å; L188-S190 PolarHBondContact O-N 3.5Å; L188-Q191 WeakPolarHBondContact O-CB 3.11Å; L188-Q191 PolarHBondContact O-N 3.29Å; L188-P192 HydrophobicContact CB-CG 3.97Å; L188-P192 HydrophobicContact CD1-CG 4.35Å
189	G	97.1	Very high	97.1	Very high	10 Å²	10	56.9 Å²	56.9	10%	0.103	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	-131	178.6	0	0	0	0	0	113.4	I185 E186 D400	I185-G189 PolarHBondContact O-N 2.66Å; E186-G189 PolarHBondContact O-N 2.83Å; G189-D400 WeakPolarHBondContact CA-OD2 3.18Å
190	S	97.1	Very high	97.1	Very high	18 Å²	18	57.6 Å²	57.6	13%	0.126	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-8	178.1	49	0	0	0	0	114.5	L188 L193 I194 L285	L188-S190 PolarHBondContact O-N 3.5Å; S190-L193 PolarHBondContact O-N 3.22Å; S190-I194 WeakPolarHBondContact O-CG1 3.32Å; S190-I194 PolarHBondContact O-N 3.05Å; S190-I194 VanDerWaalsContact O-N 3.13Å; S190-L285 PolarHBondContact OG-O 2.89Å
191	Q	97.4	Very high	96.9	Very high	95 Å²	95	55.7 Å²	55.7	44%	0.444	29%	0.287	S	S	.	.	H	α-helix	trans	-59.2	-43	-169.5	-165.9	63.6	47.3	0	0	113.7	L188 L193 I194 D195	L188-Q191 WeakPolarHBondContact O-CB 3.11Å; L188-Q191 PolarHBondContact O-N 3.29Å; Q191-L193 VanDerWaalsContact C-N 3.3Å; Q191-L193 PolarHBondContact O-N 2.82Å; Q191-I194 PolarHBondContact O-N 2.91Å; Q191-D195 PolarHBondContact NE2-OD1 3.31Å; Q191-D195 VanDerWaalsContact O-CG 3.31Å; Q191-D195 PolarHBondContact O-N 3.48Å
192	P	97.2	Very high	96.9	Very high	23 Å²	23	53.2 Å²	53.2	15%	0.149	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-38.9	-179.3	-25.8	35.5	0	0	0	113.8	L188 L196 F524	L188-P192 HydrophobicContact CB-CG 3.97Å; L188-P192 HydrophobicContact CD1-CG 4.35Å; P192-L196 WeakPolarHBondContact O-CB 3.29Å; P192-L196 PolarHBondContact O-N 3.41Å; P192-L196 VanDerWaalsContact O-N 3.15Å; P192-F524 HydrophobicContact CB-CB 4.3Å; P192-F524 HydrophobicContact CB-CD1 3.4Å; P192-F524 HydrophobicContact CB-CD2 4.1Å; P192-F524 HydrophobicContact CB-CE1 3.59Å; P192-F524 HydrophobicContact CB-CE2 4.34Å; P192-F524 HydrophobicContact CB-CG 3.68Å; P192-F524 HydrophobicContact CB-CZ 4.1Å
193	L	97.6	Very high	96.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-76.5	-36.7	178.5	-176.6	56	0	0	0	111.9	S190 Q191 D195 L196 I197 L286 V392 L399 F524	S190-L193 PolarHBondContact O-N 3.22Å; Q191-L193 VanDerWaalsContact C-N 3.3Å; Q191-L193 PolarHBondContact O-N 2.82Å; L193-D195 VanDerWaalsContact C-N 3.35Å; L193-L196 HydrophobicContact CD1-CD2 4.25Å; L193-L196 PolarHBondContact O-N 3Å; L193-I197 HydrophobicContact CD1-CD1 4.33Å; L193-I197 HydrophobicContact CD1-CG1 4.34Å; L193-I197 HydrophobicContact CG-CD1 4.03Å; L193-I197 VanDerWaalsContact O-CG1 3.28Å; L193-I197 WeakPolarHBondContact O-CG1 3.27Å; L193-I197 PolarHBondContact O-N 3.41Å; L193-L286 HydrophobicContact CB-CD2 4.3Å; L193-L286 HydrophobicContact CD2-CD1 4.2Å; L193-L286 HydrophobicContact CD2-CD2 3.93Å; L193-L286 HydrophobicContact CG-CD2 4.11Å; L193-V392 HydrophobicContact CD2-CB 4.37Å; L193-V392 HydrophobicContact CD2-CG1 4.18Å; L193-V392 HydrophobicContact CD2-CG2 4.18Å; L193-L399 HydrophobicContact CB-CD1 4.02Å; L193-L399 HydrophobicContact CB-CD2 4.27Å; L193-L399 HydrophobicContact CD2-CD1 3.69Å; L193-F524 HydrophobicContact CB-CE2 4.02Å; L193-F524 HydrophobicContact CB-CZ 4.08Å; L193-F524 HydrophobicContact CD1-CE2 4.45Å; L193-F524 HydrophobicContact CD1-CZ 4.24Å
194	I	97.5	Very high	96.9	Very high	49 Å²	49	46.1 Å²	46.1	25%	0.251	24%	0.24	S	C	.	.	H	α-helix	trans	-60.5	-46.2	174	-69.4	169.8	0	0	0	110.5	S190 Q191 L196 I197 A198 L286	S190-I194 WeakPolarHBondContact O-CG1 3.32Å; S190-I194 PolarHBondContact O-N 3.05Å; S190-I194 VanDerWaalsContact O-N 3.13Å; Q191-I194 PolarHBondContact O-N 2.91Å; I194-L196 VanDerWaalsContact C-N 3.3Å; I194-L196 PolarHBondContact O-N 3.17Å; I194-I197 PolarHBondContact O-N 3.32Å; I194-A198 WeakPolarHBondContact O-CB 3.32Å; I194-A198 PolarHBondContact O-N 2.84Å; I194-L286 HydrophobicContact CG1-CD2 4.02Å
195	D	97.3	Very high	96.6	Very high	89 Å²	89	42.1 Å²	42.1	48%	0.476	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-40.2	177.9	-70.3	-17.8	0	0	0	111.3	Q191 L193 A198 K199	Q191-D195 PolarHBondContact NE2-OD1 3.31Å; Q191-D195 VanDerWaalsContact O-CG 3.31Å; Q191-D195 PolarHBondContact O-N 3.48Å; L193-D195 VanDerWaalsContact C-N 3.35Å; D195-A198 PolarHBondContact O-N 2.98Å; D195-K199 VanDerWaalsContact O-CB 3.3Å; D195-K199 WeakPolarHBondContact O-CB 3.47Å; D195-K199 PolarHBondContact O-N 3.46Å
196	L	97.3	Very high	96.4	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.068	25%	0.246	C	C	.	.	H	α-helix	trans	-64.6	-46.5	176.5	-179.3	62.1	0	0	0	112.3	P192 L193 I194 A198 K199 I200 Y225 L391 F524 L528	P192-L196 WeakPolarHBondContact O-CB 3.29Å; P192-L196 PolarHBondContact O-N 3.41Å; P192-L196 VanDerWaalsContact O-N 3.15Å; L193-L196 HydrophobicContact CD1-CD2 4.25Å; L193-L196 PolarHBondContact O-N 3Å; I194-L196 VanDerWaalsContact C-N 3.3Å; I194-L196 PolarHBondContact O-N 3.17Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-A198 PolarHBondContact O-N 3.46Å; L196-K199 WeakPolarHBondContact O-CB 3.25Å; L196-K199 PolarHBondContact O-N 2.68Å; L196-I200 HydrophobicContact CD1-CD1 3.96Å; L196-I200 HydrophobicContact CD1-CG1 4.43Å; L196-I200 HydrophobicContact CG-CD1 4.11Å; L196-I200 WeakPolarHBondContact O-CG1 3.38Å; L196-I200 PolarHBondContact O-N 3.31Å; L196-I200 VanDerWaalsContact O-N 3.13Å; L196-Y225 HydrophobicContact CD1-CE1 3.89Å; L196-Y225 HydrophobicContact CD1-CE2 3.83Å; L196-Y225 VanDerWaalsContact CD1-CZ 3.42Å; L196-Y225 VanDerWaalsContact CD1-OH 3.3Å; L196-Y225 WeakPolarHBondContact CD1-OH 3.44Å; L196-L391 HydrophobicContact CD2-CD1 4.11Å; L196-L391 HydrophobicContact CD2-CD2 4.12Å; L196-L391 HydrophobicContact CD2-CG 4.28Å; L196-L391 HydrophobicContact CG-CD2 4.12Å; L196-F524 HydrophobicContact CD2-CZ 4.11Å; L196-L528 HydrophobicContact CD1-CD1 4.46Å; L196-L528 HydrophobicContact CD2-CD1 4.01Å; L196-L528 HydrophobicContact CD2-CD2 4.07Å
197	I	97.6	Very high	96	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-58.4	-46.8	176.2	-71.6	163.9	0	0	0	109.9	L193 I194 K199 I200 G201 G202 W203 L286 M388 V392	L193-I197 HydrophobicContact CD1-CD1 4.33Å; L193-I197 HydrophobicContact CD1-CG1 4.34Å; L193-I197 HydrophobicContact CG-CD1 4.03Å; L193-I197 VanDerWaalsContact O-CG1 3.28Å; L193-I197 WeakPolarHBondContact O-CG1 3.27Å; L193-I197 PolarHBondContact O-N 3.41Å; I194-I197 PolarHBondContact O-N 3.32Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-K199 PolarHBondContact O-N 3.22Å; I197-I200 PolarHBondContact O-N 3.49Å; I197-G201 PolarHBondContact O-N 3.39Å; I197-G202 WeakPolarHBondContact O-CA 3.31Å; I197-G202 PolarHBondContact O-N 3.47Å; I197-W203 HydrophobicContact CD1-CZ2 4.13Å; I197-W203 HydrophobicContact CG2-CD2 4.48Å; I197-W203 HydrophobicContact CG2-CG 4.11Å; I197-L286 HydrophobicContact CD1-CD1 4.25Å; I197-M388 HydrophobicContact CG2-SD 4.22Å; I197-V392 HydrophobicContact CD1-CG2 3.88Å
198	A	96.5	Very high	95.7	Very high	66 Å²	66	43.3 Å²	43.3	55%	0.545	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-41	177.8	0	0	0	0	0	112.3	I194 D195 L196 I200	I194-A198 WeakPolarHBondContact O-CB 3.32Å; I194-A198 PolarHBondContact O-N 2.84Å; D195-A198 PolarHBondContact O-N 2.98Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-A198 PolarHBondContact O-N 3.46Å; A198-I200 VanDerWaalsContact C-N 3.34Å; A198-I200 PolarHBondContact O-N 2.87Å
199	K	96.5	Very high	95.6	Very high	152 Å²	152	42.1 Å²	42.1	66%	0.661	25%	0.249	S	C	*	.	H	α-helix	trans	-61.2	-38.4	178.5	-179	-176.8	177.7	-173.3	0	112.9	D195 L196 I197	D195-K199 VanDerWaalsContact O-CB 3.3Å; D195-K199 WeakPolarHBondContact O-CB 3.47Å; D195-K199 PolarHBondContact O-N 3.46Å; L196-K199 WeakPolarHBondContact O-CB 3.25Å; L196-K199 PolarHBondContact O-N 2.68Å; I197-K199 VanDerWaalsContact C-N 3.35Å; I197-K199 PolarHBondContact O-N 3.22Å
200	I	96.2	Very high	95.5	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.072	28%	0.282	C	S	.	.	H	α-helix	trans	-81.3	-34.1	-176.4	-64.9	165.5	0	0	0	111.5	L196 I197 A198 V217 M220 V221 Y225 M388 L391	L196-I200 HydrophobicContact CD1-CD1 3.96Å; L196-I200 HydrophobicContact CD1-CG1 4.43Å; L196-I200 HydrophobicContact CG-CD1 4.11Å; L196-I200 WeakPolarHBondContact O-CG1 3.38Å; L196-I200 PolarHBondContact O-N 3.31Å; L196-I200 VanDerWaalsContact O-N 3.13Å; I197-I200 PolarHBondContact O-N 3.49Å; A198-I200 VanDerWaalsContact C-N 3.34Å; A198-I200 PolarHBondContact O-N 2.87Å; I200-V217 HydrophobicContact CG2-CB 4.39Å; I200-V217 HydrophobicContact CG2-CG1 4.06Å; I200-V217 HydrophobicContact CG2-CG2 4.24Å; I200-M220 HydrophobicContact CG1-CB 4.38Å; I200-M220 HydrophobicContact CG2-CB 3.99Å; I200-V221 HydrophobicContact CD1-CG1 4.38Å; I200-V221 HydrophobicContact CG2-CG1 4.24Å; I200-Y225 HydrophobicContact CD1-CD2 3.81Å; I200-Y225 HydrophobicContact CD1-CE2 3.59Å; I200-Y225 HydrophobicContact CG1-CE2 4.08Å; I200-M388 HydrophobicContact CB-CE 3.86Å; I200-M388 HydrophobicContact CG2-CE 3.55Å; I200-M388 HydrophobicContact CG2-SD 4.47Å; I200-L391 HydrophobicContact CD1-CD1 4.37Å; I200-L391 HydrophobicContact CD1-CD2 3.34Å; I200-L391 HydrophobicContact CD1-CG 4.49Å
201	G	94.3	Very high	95.4	Very high	7 Å²	7	52.9 Å²	52.9	7%	0.072	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	166	-10.8	178.4	0	0	0	0	0	115.9	I197 W209 K211	I197-G201 PolarHBondContact O-N 3.39Å; G201-W209 PolarHBondContact O-NE1 3.37Å; G201-K211 PolarHBondContact O-NZ 2.9Å
202	G	96.3	Very high	95.3	Very high	14 Å²	14	54.4 Å²	54.4	14%	0.144	31%	0.309	C	S	.	.			trans	72.6	177.6	-170.8	0	0	0	0	0	112.5	I197 W209 N384 M388	I197-G202 WeakPolarHBondContact O-CA 3.31Å; I197-G202 PolarHBondContact O-N 3.47Å; G202-W209 PolarHBondContact O-NE1 2.93Å; G202-N384 PolarHBondContact O-ND2 3.04Å; G202-M388 WeakPolarHBondContact O-CE 3.16Å
203	W	96.8	Very high	95.3	Very high	5 Å²	5	54.5 Å²	54.5	2%	0.019	31%	0.308	C	S	.	.			trans	-148.9	167	180	63.8	-11.7	0	0	0	111.2	I197 M205 L286 M297 M388 V392	I197-W203 HydrophobicContact CD1-CZ2 4.13Å; I197-W203 HydrophobicContact CG2-CD2 4.48Å; I197-W203 HydrophobicContact CG2-CG 4.11Å; W203-M205 HydrophobicContact CD2-CB 3.66Å; W203-M205 HydrophobicContact CE3-CB 4.31Å; W203-M205 HydrophobicContact CE3-CE 4.32Å; W203-M205 HydrophobicContact CG-CB 3.92Å; W203-M205 HydrophobicContact CH2-CB 4.38Å; W203-M205 HydrophobicContact CH2-CG 4.36Å; W203-M205 HydrophobicContact CZ2-CB 3.75Å; W203-M205 HydrophobicContact CZ2-CG 3.96Å; W203-M205 HydrophobicContact CZ3-CE 4.24Å; W203-M205 PolarHBondContact O-N 3.29Å; W203-M205 VanDerWaalsContact O-N 3.15Å; W203-L286 HydrophobicContact CH2-CD1 3.93Å; W203-L286 HydrophobicContact CZ2-CB 4.09Å; W203-L286 HydrophobicContact CZ2-CD1 3.83Å; W203-M297 HydrophobicContact CH2-CE 4.16Å; W203-M297 HydrophobicContact CZ3-CE 4.26Å; W203-M388 HydrophobicContact CB-CB 4.11Å; W203-M388 HydrophobicContact CB-CG 4.03Å; W203-M388 HydrophobicContact CD2-CB 4.13Å; W203-M388 HydrophobicContact CE3-CB 3.58Å; W203-M388 HydrophobicContact CG-CB 4.42Å; W203-M388 HydrophobicContact CZ3-CB 4.32Å; W203-V392 HydrophobicContact CH2-CG2 3.79Å; W203-V392 HydrophobicContact CZ2-CG2 4.48Å; W203-V392 HydrophobicContact CZ3-CG2 4.09Å
204	N	95.8	Very high	95.3	Very high	47 Å²	47	56.3 Å²	56.3	25%	0.251	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.6	-174.3	-158.7	13.6	0	0	0	113.3	G207 W209 Q296 S381 N385	N204-G207 CarbonylContact C-O 3.44Å; N204-G207 VanDerWaalsContact CA-O 3.24Å; N204-G207 WeakPolarHBondContact CA-O 3.5Å; N204-G207 PolarHBondContact OD1-O 2.95Å; N204-W209 HydrophobicContact CB-CB 3.89Å; N204-Q296 PolarHBondContact O-NE2 2.85Å; N204-Q296 PolarHBondContact O-OE1 3.03Å; N204-S381 PolarHBondContact ND2-OG 2.82Å; N204-N385 WeakPolarHBondContact CB-OD1 3.39Å; N204-N385 PolarHBondContact N-OD1 3.21Å
205	M	91.5	Very high	95.4	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.034	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-37.4	-178.3	-147.6	64.6	57.2	0	0	112	W203 G288 T293 Q296 M297	W203-M205 HydrophobicContact CD2-CB 3.66Å; W203-M205 HydrophobicContact CE3-CB 4.31Å; W203-M205 HydrophobicContact CE3-CE 4.32Å; W203-M205 HydrophobicContact CG-CB 3.92Å; W203-M205 HydrophobicContact CH2-CB 4.38Å; W203-M205 HydrophobicContact CH2-CG 4.36Å; W203-M205 HydrophobicContact CZ2-CB 3.75Å; W203-M205 HydrophobicContact CZ2-CG 3.96Å; W203-M205 HydrophobicContact CZ3-CE 4.24Å; W203-M205 PolarHBondContact O-N 3.29Å; W203-M205 VanDerWaalsContact O-N 3.15Å; M205-G288 WeakPolarHBondContact O-CA 3.07Å; M205-T293 HydrophobicContact CG-CG2 4.49Å; M205-T293 HydrophobicContact SD-CG2 3.69Å; M205-Q296 HydrophobicContact CE-CB 3.8Å; M205-Q296 HydrophobicContact SD-CB 4.06Å; M205-M297 HydrophobicContact CE-CE 3.27Å; M205-M297 HydrophobicContact CE-CG 4.44Å; M205-M297 HydrophobicContact CE-SD 3.9Å; M205-M297 HydrophobicContact CG-CE 4.49Å; M205-M297 HydrophobicContact SD-CE 3.88Å
206	T	92.1	Very high	95.4	Very high	80 Å²	80	56.4 Å²	56.4	49%	0.491	31%	0.313	S	S	.	.	S	Bend	trans	-102.6	1.8	-173.9	51.9	0	0	0	0	113.5	L286	T206-L286 VanDerWaalsContact CG2-O 3.24Å; T206-L286 WeakPolarHBondContact CG2-O 3.28Å
207	G	89.6	Confident	95.4	Very high	30 Å²	30	55.8 Å²	55.8	31%	0.309	31%	0.309	S	S	.	.	S	Bend	trans	158	173.3	-179.1	0	0	0	0	0	112	N204 W209	N204-G207 CarbonylContact C-O 3.44Å; N204-G207 VanDerWaalsContact CA-O 3.24Å; N204-G207 WeakPolarHBondContact CA-O 3.5Å; N204-G207 PolarHBondContact OD1-O 2.95Å; G207-W209 PolarHBondContact O-N 3.42Å
208	P	90.9	Very high	95.5	Very high	137 Å²	137	55.5 Å²	55.5	89%	0.89	31%	0.308	S	S	*	.			trans	-55.6	134.3	-178.6	-23.4	32.9	0	0	0	112.3
209	W	95.9	Very high	95.6	Very high	23 Å²	23	53.6 Å²	53.6	9%	0.087	29%	0.288	C	S	.	.			trans	-130.9	122.8	178	-169.6	101.7	0	0	0	110.9	G201 G202 N204 G207 K211 N213 R380 S381 N384	G201-W209 PolarHBondContact O-NE1 3.37Å; G202-W209 PolarHBondContact O-NE1 2.93Å; N204-W209 HydrophobicContact CB-CB 3.89Å; G207-W209 PolarHBondContact O-N 3.42Å; W209-K211 HydrophobicContact CH2-CB 4.2Å; W209-K211 WeakPolarHBondContact CH2-O 3.38Å; W209-K211 HydrophobicContact CZ2-CB 3.84Å; W209-N213 WeakPolarHBondContact CZ2-OD1 3.43Å; W209-R380 HydrophobicContact CZ3-CB 4.19Å; W209-R380 WeakPolarHBondContact CZ3-O 3.43Å; W209-S381 PolarHBondContact O-OG 3.44Å; W209-N384 HydrophobicContact CD2-CB 4.28Å; W209-N384 VanDerWaalsContact CE2-ND2 3.25Å; W209-N384 HydrophobicContact CE3-CB 4.28Å; W209-N384 HydrophobicContact CH2-CB 3.37Å; W209-N384 HydrophobicContact CZ2-CB 3.32Å; W209-N384 VanDerWaalsContact CZ2-OD1 3.31Å; W209-N384 WeakPolarHBondContact CZ2-OD1 3.45Å; W209-N384 HydrophobicContact CZ3-CB 3.88Å; W209-N384 PolarHBondContact NE1-ND2 2.87Å
210	D	94.3	Very high	95.6	Very high	149 Å²	149	48.9 Å²	48.9	80%	0.797	27%	0.269	S	S	*	.			trans	-154.4	71.6	178	-175.4	22.4	0	0	0	109.3
211	K	95.6	Very high	95.7	Very high	105 Å²	105	48.2 Å²	48.2	46%	0.457	27%	0.265	S	S	.	.			trans	-114.8	148.3	179.8	-65.5	179.9	-178.5	174.3	0	110.2	G201 W209 N213	G201-K211 PolarHBondContact O-NZ 2.9Å; W209-K211 HydrophobicContact CH2-CB 4.2Å; W209-K211 WeakPolarHBondContact CH2-O 3.38Å; W209-K211 HydrophobicContact CZ2-CB 3.84Å; K211-N213 WeakPolarHBondContact CB-OD1 3.41Å
212	D	95.2	Very high	95.8	Very high	127 Å²	127	48.6 Å²	48.6	68%	0.679	27%	0.266	S	S	*	.	S	Bend	trans	-100.8	72.1	173.3	-159.3	5.2	0	0	0	110.1	R380	D212-R380 IonicContact OD1-CZ 2.97Å; D212-R380 IonicContact OD1-NH1 3.68Å; D212-R380 PolarHBondContact OD1-NH1 3.46Å; D212-R380 IonicContact OD2-CZ 2.68Å; D212-R380 IonicContact OD2-NH1 3.8Å; D212-R380 PolarHBondContact OD2-NH1 3.23Å; D212-R380 IonicContact OD2-NH2 2.66Å
213	N	96.7	Very high	95.7	Very high	24 Å²	24	48.2 Å²	48.2	13%	0.128	26%	0.262	C	S	.	.			trans	-139.6	30.2	-172.3	69.1	-26.1	0	0	0	113.1	W209 K211 M215 E216 V217	W209-N213 WeakPolarHBondContact CZ2-OD1 3.43Å; K211-N213 WeakPolarHBondContact CB-OD1 3.41Å; N213-M215 VanDerWaalsContact C-N 3.35Å; N213-M215 PolarHBondContact O-N 3.22Å; N213-E216 WeakPolarHBondContact CA-OE2 3.45Å; N213-E216 HydrophobicContact CB-CB 4.42Å; N213-E216 PolarHBondContact O-N 3.31Å; N213-V217 WeakPolarHBondContact ND2-CG2 3.06Å; N213-V217 WeakPolarHBondContact O-CG2 3.42Å; N213-V217 PolarHBondContact O-N 3.2Å
214	F	98.2	Very high	95.5	Very high	38 Å²	38	49.2 Å²	49.2	17%	0.167	27%	0.27	C	S	.	.	H	α-helix	trans	-54.5	-49.4	-176.3	172.3	-96.4	0	0	0	111.9	V217 L218 F230 V339 I375 L383 M387	F214-V217 PolarHBondContact O-N 2.64Å; F214-L218 HydrophobicContact CE1-CD2 3.85Å; F214-L218 HydrophobicContact CZ-CD2 4.03Å; F214-L218 VanDerWaalsContact O-CB 3.25Å; F214-L218 WeakPolarHBondContact O-CB 3.4Å; F214-L218 PolarHBondContact O-N 2.75Å; F214-F230 AromaticContact CE2-CE2 3.9Å; F214-F230 HydrophobicContact CE2-CE2 3.9Å; F214-F230 HydrophobicContact CE2-CZ 4.1Å; F214-F230 HydrophobicContact CZ-CE2 4.04Å; F214-V339 HydrophobicContact CE1-CG2 4.4Å; F214-I375 HydrophobicContact CE1-CG2 4.19Å; F214-I375 HydrophobicContact CE2-CG2 4.07Å; F214-I375 HydrophobicContact CZ-CD1 4.25Å; F214-I375 HydrophobicContact CZ-CG2 3.68Å; F214-L383 HydrophobicContact CD2-CB 4.25Å; F214-L383 HydrophobicContact CD2-CD1 4.14Å; F214-L383 HydrophobicContact CE2-CB 4.29Å; F214-L383 HydrophobicContact CE2-CD1 4.12Å; F214-M387 HydrophobicContact CD2-CE 3.55Å; F214-M387 HydrophobicContact CD2-SD 4.26Å; F214-M387 HydrophobicContact CE2-CE 3.89Å; F214-M387 HydrophobicContact CE2-SD 4.04Å; F214-M387 HydrophobicContact CG-CE 4.41Å
215	M	98.1	Very high	95.5	Very high	34 Å²	34	48 Å²	48	17%	0.167	26%	0.262	C	S	.	.	H	α-helix	trans	-66.4	-39.6	-178	-75.7	-60	-58.9	0	0	112.4	N213 L218 K219 V339 D340 F344	N213-M215 VanDerWaalsContact C-N 3.35Å; N213-M215 PolarHBondContact O-N 3.22Å; M215-L218 PolarHBondContact O-N 2.89Å; M215-L218 HydrophobicContact SD-CD2 4.38Å; M215-K219 VanDerWaalsContact O-CB 3.3Å; M215-K219 WeakPolarHBondContact O-CB 3.39Å; M215-K219 WeakPolarHBondContact O-CE 3.43Å; M215-K219 VanDerWaalsContact O-CG 3.27Å; M215-K219 WeakPolarHBondContact O-CG 3.24Å; M215-K219 PolarHBondContact O-N 3.15Å; M215-V339 HydrophobicContact CE-CG1 4.03Å; M215-V339 HydrophobicContact SD-CG1 4.06Å; M215-D340 HydrophobicContact CE-CB 3.92Å; M215-F344 HydrophobicContact CE-CB 4.08Å
216	E	98	Very high	95.7	Very high	106 Å²	106	51.3 Å²	51.3	50%	0.495	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-45.5	177.3	-66.6	77.9	-174.2	0	0	111.3	N213 M220	N213-E216 WeakPolarHBondContact CA-OE2 3.45Å; N213-E216 HydrophobicContact CB-CB 4.42Å; N213-E216 PolarHBondContact O-N 3.31Å; E216-M220 WeakPolarHBondContact O-CB 3.23Å; E216-M220 VanDerWaalsContact O-CG 3.28Å; E216-M220 WeakPolarHBondContact O-CG 3.37Å; E216-M220 PolarHBondContact O-N 3.4Å
217	V	98.3	Very high	95.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-48.9	177	175.2	0	0	0	0	110	I200 N213 F214 K219 M220 V221 M387 M388	I200-V217 HydrophobicContact CG2-CB 4.39Å; I200-V217 HydrophobicContact CG2-CG1 4.06Å; I200-V217 HydrophobicContact CG2-CG2 4.24Å; N213-V217 WeakPolarHBondContact ND2-CG2 3.06Å; N213-V217 WeakPolarHBondContact O-CG2 3.42Å; N213-V217 PolarHBondContact O-N 3.2Å; F214-V217 PolarHBondContact O-N 2.64Å; V217-K219 VanDerWaalsContact C-N 3.34Å; V217-K219 PolarHBondContact O-N 2.98Å; V217-M220 PolarHBondContact O-N 3.44Å; V217-V221 HydrophobicContact CG1-CG1 4.09Å; V217-V221 WeakPolarHBondContact O-CG1 3.33Å; V217-V221 WeakPolarHBondContact O-CG2 3.37Å; V217-V221 PolarHBondContact O-N 2.75Å; V217-M387 HydrophobicContact CB-CE 3.87Å; V217-M387 HydrophobicContact CB-SD 4.42Å; V217-M387 HydrophobicContact CG1-CB 4.02Å; V217-M387 HydrophobicContact CG1-CE 3.67Å; V217-M387 HydrophobicContact CG1-SD 4Å; V217-M388 HydrophobicContact CG1-CE 3.9Å; V217-M388 HydrophobicContact CG2-CE 4.29Å
218	L	98.6	Very high	96	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-56	-46.8	179.7	179.5	60.2	0	0	0	111.9	F214 M215 V221 S222 P229 F230 F231 V339 F344 M387	F214-L218 HydrophobicContact CE1-CD2 3.85Å; F214-L218 HydrophobicContact CZ-CD2 4.03Å; F214-L218 VanDerWaalsContact O-CB 3.25Å; F214-L218 WeakPolarHBondContact O-CB 3.4Å; F214-L218 PolarHBondContact O-N 2.75Å; M215-L218 PolarHBondContact O-N 2.89Å; M215-L218 HydrophobicContact SD-CD2 4.38Å; L218-V221 WeakPolarHBondContact O-CG2 3.47Å; L218-S222 WeakPolarHBondContact O-CB 3.45Å; L218-S222 PolarHBondContact O-N 3.11Å; L218-S222 PolarHBondContact O-OG 3.12Å; L218-P229 HydrophobicContact CD1-CG 3.74Å; L218-F230 HydrophobicContact CD1-CD2 4.07Å; L218-F230 HydrophobicContact CD1-CE2 4.28Å; L218-F231 HydrophobicContact CD2-CZ 4.19Å; L218-V339 HydrophobicContact CD2-CG1 4.14Å; L218-V339 HydrophobicContact CD2-CG2 3.92Å; L218-F344 HydrophobicContact CD1-CE2 4.37Å; L218-F344 HydrophobicContact CD2-CD2 4.21Å; L218-F344 HydrophobicContact CD2-CE2 4.32Å; L218-F344 HydrophobicContact CG-CD2 4.05Å; L218-F344 HydrophobicContact CG-CE2 3.79Å; L218-M387 HydrophobicContact CB-SD 3.82Å; L218-M387 HydrophobicContact CD1-SD 4.13Å
219	K	97.8	Very high	96.3	Very high	27 Å²	27	42.5 Å²	42.5	12%	0.117	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-49.9	175.9	-79.8	-175.5	-63.3	-167.9	0	111.5	M215 V217 S222 G223 D343 F344 F347	M215-K219 VanDerWaalsContact O-CB 3.3Å; M215-K219 WeakPolarHBondContact O-CB 3.39Å; M215-K219 WeakPolarHBondContact O-CE 3.43Å; M215-K219 VanDerWaalsContact O-CG 3.27Å; M215-K219 WeakPolarHBondContact O-CG 3.24Å; M215-K219 PolarHBondContact O-N 3.15Å; V217-K219 VanDerWaalsContact C-N 3.34Å; V217-K219 PolarHBondContact O-N 2.98Å; K219-S222 PolarHBondContact O-N 3.37Å; K219-G223 PolarHBondContact O-N 3.32Å; K219-D343 WeakPolarHBondContact CD-OD2 3.44Å; K219-D343 WeakPolarHBondContact CE-OD2 3.39Å; K219-D343 IonicContact NZ-OD1 3.49Å; K219-D343 PolarHBondContact NZ-OD1 2.95Å; K219-D343 IonicContact NZ-OD2 2.98Å; K219-D343 PolarHBondContact NZ-OD2 2.95Å; K219-F344 HydrophobicContact CG-CD2 3.87Å; K219-F347 HydrophobicContact CB-CD1 3.55Å; K219-F347 HydrophobicContact CB-CE1 3.72Å; K219-F347 HydrophobicContact CB-CG 3.99Å; K219-F347 HydrophobicContact CB-CZ 4.29Å; K219-F347 HydrophobicContact CD-CB 3.66Å; K219-F347 HydrophobicContact CD-CD1 4.18Å; K219-F347 HydrophobicContact CD-CD2 4.2Å; K219-F347 HydrophobicContact CD-CG 3.75Å; K219-F347 HydrophobicContact CG-CB 4.13Å; K219-F347 HydrophobicContact CG-CD1 3.93Å; K219-F347 HydrophobicContact CG-CG 4.03Å; K219-F347 VanDerWaalsContact O-CE1 3.24Å; K219-F347 WeakPolarHBondContact O-CE1 3.48Å
220	M	97.5	Very high	96.5	Very high	53 Å²	53	41.4 Å²	41.4	26%	0.261	21%	0.205	S	C	.	.	H	α-helix	trans	-64.3	-45.9	-177.9	-74	-60.2	-59.4	0	0	112.7	I200 E216 V217 P224 Y225 F347	I200-M220 HydrophobicContact CG1-CB 4.38Å; I200-M220 HydrophobicContact CG2-CB 3.99Å; E216-M220 WeakPolarHBondContact O-CB 3.23Å; E216-M220 VanDerWaalsContact O-CG 3.28Å; E216-M220 WeakPolarHBondContact O-CG 3.37Å; E216-M220 PolarHBondContact O-N 3.4Å; V217-M220 PolarHBondContact O-N 3.44Å; M220-P224 WeakPolarHBondContact O-CD 3.35Å; M220-Y225 HydrophobicContact CE-CE2 3.98Å; M220-Y225 WeakPolarHBondContact O-CD2 3.38Å; M220-F347 HydrophobicContact SD-CZ 3.85Å
221	V	97.3	Very high	96.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.7	-35.5	-179.7	-58.2	0	0	0	0	112.1	I200 V217 L218 Y225 R226 A227 P229 M387 L391	I200-V221 HydrophobicContact CD1-CG1 4.38Å; I200-V221 HydrophobicContact CG2-CG1 4.24Å; V217-V221 HydrophobicContact CG1-CG1 4.09Å; V217-V221 WeakPolarHBondContact O-CG1 3.33Å; V217-V221 WeakPolarHBondContact O-CG2 3.37Å; V217-V221 PolarHBondContact O-N 2.75Å; L218-V221 WeakPolarHBondContact O-CG2 3.47Å; V221-Y225 CarbonylContact O-C 3.57Å; V221-R226 PolarHBondContact O-N 2.91Å; V221-A227 HydrophobicContact CB-CB 4.27Å; V221-A227 WeakPolarHBondContact O-CB 3.28Å; V221-A227 PolarHBondContact O-N 2.74Å; V221-P229 HydrophobicContact CG2-CG 3.76Å; V221-M387 HydrophobicContact CG2-CB 4.49Å; V221-L391 HydrophobicContact CG1-CB 4.36Å
222	S	96.6	Very high	96.8	Very high	14 Å²	14	30.8 Å²	30.8	10%	0.098	16%	0.155	C	C	.	.	H	α-helix	trans	-84.6	-40	-175	-52.1	0	0	0	0	113.5	L218 K219 R226	L218-S222 WeakPolarHBondContact O-CB 3.45Å; L218-S222 PolarHBondContact O-N 3.11Å; L218-S222 PolarHBondContact O-OG 3.12Å; K219-S222 PolarHBondContact O-N 3.37Å; S222-R226 WeakPolarHBondContact O-CA 3.42Å; S222-R226 PolarHBondContact O-N 3.13Å
223	G	94.5	Very high	96.9	Very high	6 Å²	6	25.4 Å²	25.4	6%	0.062	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-86.9	-177	0	0	0	0	0	111.6	K219 Y225 R226	K219-G223 PolarHBondContact O-N 3.32Å; G223-Y225 VanDerWaalsContact C-N 3.28Å; G223-Y225 PolarHBondContact O-N 3.09Å; G223-R226 PolarHBondContact O-N 3.26Å
224	P	93.6	Very high	96.9	Very high	27 Å²	27	25.2 Å²	25.2	18%	0.175	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.5	-176.6	-26.6	32.8	0	0	0	115.6	M220 F347 Y531 N532	M220-P224 WeakPolarHBondContact O-CD 3.35Å; P224-F347 HydrophobicContact CG-CE1 4.42Å; P224-F347 HydrophobicContact CG-CZ 4.45Å; P224-Y531 CarbonylContact O-C 3.4Å; P224-Y531 WeakPolarHBondContact O-CB 3.16Å; P224-N532 WeakPolarHBondContact O-CA 3.33Å; P224-N532 PolarHBondContact O-N 2.98Å; P224-N532 VanDerWaalsContact O-N 3.12Å
225	Y	95.3	Very high	96.9	Very high	20 Å²	20	24.3 Å²	24.3	8%	0.078	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-4.8	-173.4	-55.1	-56.1	0	0	0	114.5	L196 I200 M220 V221 G223 A227 L391 L528	L196-Y225 HydrophobicContact CD1-CE1 3.89Å; L196-Y225 HydrophobicContact CD1-CE2 3.83Å; L196-Y225 VanDerWaalsContact CD1-CZ 3.42Å; L196-Y225 VanDerWaalsContact CD1-OH 3.3Å; L196-Y225 WeakPolarHBondContact CD1-OH 3.44Å; I200-Y225 HydrophobicContact CD1-CD2 3.81Å; I200-Y225 HydrophobicContact CD1-CE2 3.59Å; I200-Y225 HydrophobicContact CG1-CE2 4.08Å; M220-Y225 HydrophobicContact CE-CE2 3.98Å; M220-Y225 WeakPolarHBondContact O-CD2 3.38Å; V221-Y225 CarbonylContact O-C 3.57Å; G223-Y225 VanDerWaalsContact C-N 3.28Å; G223-Y225 PolarHBondContact O-N 3.09Å; Y225-A227 PolarHBondContact O-N 3.18Å; Y225-A227 VanDerWaalsContact O-N 3.11Å; Y225-L391 HydrophobicContact CD2-CD1 4.09Å; Y225-L391 HydrophobicContact CG-CD1 3.96Å; Y225-L528 HydrophobicContact CD1-CD2 3.9Å; Y225-L528 HydrophobicContact CE1-CD1 4.24Å; Y225-L528 HydrophobicContact CE1-CD2 4.19Å
226	R	94.6	Very high	96.8	Very high	77 Å²	77	25 Å²	25	29%	0.291	14%	0.136	S	C	.	.			trans	51.5	33.7	173.9	-55.3	-165.3	67.3	-166.1	-5.5	115.3	V221 S222 G223 K394 Y531 S534 A535	V221-R226 PolarHBondContact O-N 2.91Å; S222-R226 WeakPolarHBondContact O-CA 3.42Å; S222-R226 PolarHBondContact O-N 3.13Å; G223-R226 PolarHBondContact O-N 3.26Å; R226-K394 WeakPolarHBondContact O-CE 3.49Å; R226-Y531 WeakPolarHBondContact CD-O 3.43Å; R226-S534 PolarHBondContact NH1-OG 3.48Å; R226-A535 HydrophobicContact CG-CB 4.24Å
227	A	93.8	Very high	96.8	Very high	10 Å²	10	20.6 Å²	20.6	8%	0.083	12%	0.116	C	C	.	.			trans	-80.2	-16.6	-179.5	0	0	0	0	0	114.6	V221 Y225 K394	V221-A227 HydrophobicContact CB-CB 4.27Å; V221-A227 WeakPolarHBondContact O-CB 3.28Å; V221-A227 PolarHBondContact O-N 2.74Å; Y225-A227 PolarHBondContact O-N 3.18Å; Y225-A227 VanDerWaalsContact O-N 3.11Å; A227-K394 HydrophobicContact CB-CG 3.92Å
228	Q	95.7	Very high	96.8	Very high	52 Å²	52	20.8 Å²	20.8	24%	0.243	12%	0.117	C	C	.	.			trans	42.2	56.6	169.9	-61.5	-174.6	-22	0	0	115.9	S232 V233 S252	Q228-S232 VanDerWaalsContact OE1-CB 3.24Å; Q228-V233 PolarHBondContact NE2-O 3.17Å; Q228-V233 VanDerWaalsContact NE2-O 3.11Å; Q228-S252 PolarHBondContact O-OG 2.71Å
229	P	97.4	Very high	96.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.118	C	C	.	.			trans	-66.6	147.3	170.4	31.6	-36.2	0	0	0	110.6	L218 V221 F231 Y386 M387 T390	L218-P229 HydrophobicContact CD1-CG 3.74Å; V221-P229 HydrophobicContact CG2-CG 3.76Å; P229-F231 PolarHBondContact O-N 3.39Å; P229-Y386 HydrophobicContact CB-CD1 4.37Å; P229-Y386 HydrophobicContact CB-CE1 3.74Å; P229-M387 HydrophobicContact CB-CG 4.09Å; P229-M387 HydrophobicContact CG-CG 3.95Å; P229-T390 HydrophobicContact CB-CG2 3.93Å
230	F	98.5	Very high	96.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	65.2	-38.2	177.2	-41.5	-71.8	0	0	0	117.4	F214 L218 F303 Y367 V371 I375 L383 Y386 M387	F214-F230 AromaticContact CE2-CE2 3.9Å; F214-F230 HydrophobicContact CE2-CE2 3.9Å; F214-F230 HydrophobicContact CE2-CZ 4.1Å; F214-F230 HydrophobicContact CZ-CE2 4.04Å; L218-F230 HydrophobicContact CD1-CD2 4.07Å; L218-F230 HydrophobicContact CD1-CE2 4.28Å; F230-F303 HydrophobicContact CD1-CE1 4.12Å; F230-F303 HydrophobicContact CD1-CZ 4.04Å; F230-F303 AromaticContact CE1-CE1 3.74Å; F230-F303 HydrophobicContact CE1-CE1 3.74Å; F230-F303 AromaticContact CE1-CZ 3.56Å; F230-F303 HydrophobicContact CE1-CZ 3.56Å; F230-Y367 VanDerWaalsContact O-CE1 3.27Å; F230-Y367 WeakPolarHBondContact O-CE1 3.45Å; F230-Y367 PolarHBondContact O-OH 3.5Å; F230-V371 HydrophobicContact CB-CG1 3.8Å; F230-I375 HydrophobicContact CB-CD1 4.42Å; F230-I375 HydrophobicContact CD1-CD1 4.23Å; F230-I375 HydrophobicContact CD1-CG1 4.12Å; F230-I375 HydrophobicContact CD2-CD1 4.3Å; F230-I375 HydrophobicContact CE1-CG1 4.14Å; F230-I375 HydrophobicContact CG-CD1 4.08Å; F230-I375 HydrophobicContact CG-CG1 4.46Å; F230-I375 HydrophobicContact CZ-CG1 4.49Å; F230-L383 HydrophobicContact CE1-CD2 3.89Å; F230-L383 HydrophobicContact CZ-CD2 3.83Å; F230-Y386 HydrophobicContact CD1-CD1 4.07Å; F230-Y386 AromaticContact CD1-CE1 3.53Å; F230-Y386 HydrophobicContact CD1-CE1 3.53Å; F230-Y386 HydrophobicContact CD2-CE1 4.48Å; F230-Y386 AromaticContact CE1-CD1 3.36Å; F230-Y386 HydrophobicContact CE1-CD1 3.36Å; F230-Y386 AromaticContact CE1-CE1 3.32Å; F230-Y386 HydrophobicContact CE1-CE1 3.32Å; F230-Y386 HydrophobicContact CE2-CD1 4.36Å; F230-Y386 HydrophobicContact CE2-CE1 4.32Å; F230-Y386 HydrophobicContact CG-CE1 4.12Å; F230-Y386 AromaticContact CZ-CD1 3.53Å; F230-Y386 HydrophobicContact CZ-CD1 3.53Å; F230-Y386 AromaticContact CZ-CE1 3.76Å; F230-Y386 HydrophobicContact CZ-CE1 3.76Å; F230-M387 HydrophobicContact CE2-CG 3.63Å; F230-M387 HydrophobicContact CE2-SD 3.88Å; F230-M387 HydrophobicContact CZ-CG 3.93Å
231	F	98.7	Very high	96.8	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.022	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	155.4	178.6	47.7	-95.9	0	0	0	110.6	L218 P229 V233 V249 D250 S252 V339 W341 F344 L368	L218-F231 HydrophobicContact CD2-CZ 4.19Å; P229-F231 PolarHBondContact O-N 3.39Å; F231-V233 HydrophobicContact CD2-CG2 4.06Å; F231-V233 HydrophobicContact CE2-CG2 4.28Å; F231-V249 HydrophobicContact CB-CG1 4.26Å; F231-V249 HydrophobicContact CD2-CG1 4.39Å; F231-D250 CarbonylContact C-O 3.59Å; F231-D250 VanDerWaalsContact CA-O 3.31Å; F231-D250 WeakPolarHBondContact CA-O 3.5Å; F231-D250 WeakPolarHBondContact CB-O 3.44Å; F231-S252 WeakPolarHBondContact CA-OG 3.25Å; F231-S252 PolarHBondContact N-OG 3.11Å; F231-S252 PolarHBondContact O-OG 3.31Å; F231-V339 HydrophobicContact CE1-CG2 3.89Å; F231-V339 HydrophobicContact CZ-CG1 4.34Å; F231-V339 HydrophobicContact CZ-CG2 3.96Å; F231-W341 AromaticContact CD1-CH2 3.98Å; F231-W341 HydrophobicContact CD1-CH2 3.98Å; F231-W341 AromaticContact CD2-CH2 3.89Å; F231-W341 HydrophobicContact CD2-CH2 3.89Å; F231-W341 HydrophobicContact CD2-CZ3 4.01Å; F231-W341 AromaticContact CE1-CH2 3.85Å; F231-W341 HydrophobicContact CE1-CH2 3.85Å; F231-W341 HydrophobicContact CE1-CZ2 4.37Å; F231-W341 AromaticContact CE2-CH2 3.74Å; F231-W341 HydrophobicContact CE2-CH2 3.74Å; F231-W341 AromaticContact CE2-CZ3 3.66Å; F231-W341 HydrophobicContact CE2-CZ3 3.66Å; F231-W341 HydrophobicContact CG-CH2 4.01Å; F231-W341 AromaticContact CZ-CH2 3.72Å; F231-W341 HydrophobicContact CZ-CH2 3.72Å; F231-W341 HydrophobicContact CZ-CZ2 4.46Å; F231-W341 AromaticContact CZ-CZ3 3.95Å; F231-W341 HydrophobicContact CZ-CZ3 3.95Å; F231-F344 HydrophobicContact CE2-CD1 4.38Å; F231-F344 AromaticContact CE2-CE1 3.8Å; F231-F344 HydrophobicContact CE2-CE1 3.8Å; F231-F344 AromaticContact CE2-CZ 3.94Å; F231-F344 HydrophobicContact CE2-CZ 3.94Å; F231-L368 HydrophobicContact CB-CD2 3.83Å; F231-L368 HydrophobicContact CD1-CD2 4.44Å; F231-L368 HydrophobicContact CG-CD2 4.32Å
232	S	98.1	Very high	96.8	Very high	26 Å²	26	25.3 Å²	25.3	18%	0.182	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	144.9	172.8	65.2	0	0	0	0	110.1	Q228 V249 D250 S252	Q228-S232 VanDerWaalsContact OE1-CB 3.24Å; S232-V249 VanDerWaalsContact O-CA 3.31Å; S232-V249 WeakPolarHBondContact O-CA 3.36Å; S232-D250 PolarHBondContact N-O 3.03Å; S232-D250 PolarHBondContact O-N 3.48Å; S232-D250 VanDerWaalsContact O-N 3.13Å; S232-D250 PolarHBondContact OG-O 2.64Å; S232-S252 PolarHBondContact N-OG 3.15Å
233	V	97.9	Very high	96.8	Very high	14 Å²	14	29.6 Å²	29.6	9%	0.085	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.8	169.2	177.5	0	0	0	0	108.6	Q228 F231 I247 Q248 V249 F344 L345	Q228-V233 PolarHBondContact NE2-O 3.17Å; Q228-V233 VanDerWaalsContact NE2-O 3.11Å; F231-V233 HydrophobicContact CD2-CG2 4.06Å; F231-V233 HydrophobicContact CE2-CG2 4.28Å; V233-I247 HydrophobicContact CG1-CG2 4.09Å; V233-Q248 WeakPolarHBondContact CA-O 3.49Å; V233-V249 HydrophobicContact CG2-CG2 4.12Å; V233-F344 HydrophobicContact CG2-CE1 3.76Å; V233-L345 HydrophobicContact CG1-CD2 3.72Å; V233-L345 HydrophobicContact CG2-CD2 4.31Å
234	G	96.9	Very high	96.9	Very high	21 Å²	21	31.7 Å²	31.7	22%	0.216	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	171.4	175.7	0	0	0	0	0	112	Q248	G234-Q248 PolarHBondContact N-O 3.4Å; G234-Q248 PolarHBondContact O-N 3.05Å
235	V	97.8	Very high	97.2	Very high	18 Å²	18	31.4 Å²	31.4	11%	0.109	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.8	170.3	173.7	0	0	0	0	106.9	N245 L349 M538 Q541 L542	V235-N245 HydrophobicContact CG1-CB 3.89Å; V235-L349 HydrophobicContact CG2-CD1 4.36Å; V235-L349 HydrophobicContact CG2-CD2 3.81Å; V235-M538 HydrophobicContact CB-CG 4.08Å; V235-M538 HydrophobicContact CB-SD 4.01Å; V235-M538 HydrophobicContact CG2-SD 3.8Å; V235-Q541 HydrophobicContact CG1-CB 4.12Å; V235-L542 HydrophobicContact CG1-CB 3.88Å; V235-L542 HydrophobicContact CG1-CD1 3.91Å; V235-L542 HydrophobicContact CG2-CB 4.24Å; V235-L542 HydrophobicContact CG2-CD1 4.2Å
236	S	96.4	Very high	97.3	Very high	48 Å²	48	30.5 Å²	30.5	34%	0.336	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	177.4	173	87.4	0	0	0	0	110.7	D238 N245 V246 Q248	S236-D238 PolarHBondContact O-N 3.18Å; S236-N245 CarbonylContact O-C 3.54Å; S236-N245 VanDerWaalsContact O-CA 3.29Å; S236-N245 WeakPolarHBondContact O-CA 3.48Å; S236-N245 PolarHBondContact O-OD1 3.25Å; S236-V246 PolarHBondContact N-O 3.2Å; S236-V246 PolarHBondContact O-N 3.29Å; S236-Q248 PolarHBondContact OG-NE2 3.25Å; S236-Q248 PolarHBondContact OG-OE1 3.34Å
237	T	97.6	Very high	97.5	Very high	14 Å²	14	26.9 Å²	26.9	9%	0.086	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	133.1	-179.5	-54.7	0	0	0	0	111	P239 S242 N245 Q248 P546 T565	T237-P239 WeakPolarHBondContact O-CD 3.29Å; T237-S242 VanDerWaalsContact CG2-CA 3.48Å; T237-S242 WeakPolarHBondContact CG2-O 3.39Å; T237-N245 WeakPolarHBondContact CA-OD1 3.5Å; T237-N245 PolarHBondContact N-OD1 3.48Å; T237-N245 VanDerWaalsContact N-OD1 3.1Å; T237-Q248 PolarHBondContact O-NE2 2.9Å; T237-P546 HydrophobicContact CG2-CB 4.41Å; T237-P546 HydrophobicContact CG2-CG 3.95Å; T237-P546 WeakPolarHBondContact OG1-CB 3.23Å; T237-T565 HydrophobicContact CG2-CG2 4.06Å
238	D	98.3	Very high	97.8	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	117.8	173.4	-175.5	-18.1	0	0	0	109.6	S236 K240 N241 S242 S244 V246 Y324 K326	S236-D238 PolarHBondContact O-N 3.18Å; D238-K240 PolarHBondContact O-N 3.13Å; D238-K240 PolarHBondContact OD1-N 3.27Å; D238-N241 HydrophobicContact CB-CB 4.36Å; D238-N241 CarbonylContact O-C 3.4Å; D238-N241 PolarHBondContact O-N 3.28Å; D238-S242 PolarHBondContact O-N 3.36Å; D238-S244 PolarHBondContact N-O 2.76Å; D238-V246 HydrophobicContact CB-CB 4.05Å; D238-V246 HydrophobicContact CB-CG1 3.75Å; D238-Y324 WeakPolarHBondContact OD1-CE2 3.44Å; D238-Y324 PolarHBondContact OD1-OH 3.16Å; D238-Y324 PolarHBondContact OD2-OH 3.22Å; D238-K326 IonicContact OD2-NZ 3.26Å; D238-K326 PolarHBondContact OD2-NZ 3.18Å
239	P	97.5	Very high	97.9	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.013	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-34.1	177.4	-30.4	33.6	0	0	0	114.2	T237 Y324 Y363 Y613 N618 L619	T237-P239 WeakPolarHBondContact O-CD 3.29Å; P239-Y324 HydrophobicContact CB-CD2 3.91Å; P239-Y324 HydrophobicContact CB-CE2 3.96Å; P239-Y324 HydrophobicContact CG-CD2 3.92Å; P239-Y324 HydrophobicContact CG-CE2 3.99Å; P239-Y363 VanDerWaalsContact CG-OH 3.32Å; P239-Y363 WeakPolarHBondContact CG-OH 3.2Å; P239-Y613 HydrophobicContact CB-CE1 4.12Å; P239-N618 CarbonylContact O-C 3.57Å; P239-N618 WeakPolarHBondContact O-CA 3.1Å; P239-L619 HydrophobicContact CB-CB 4.07Å; P239-L619 HydrophobicContact CB-CD2 4.09Å; P239-L619 VanDerWaalsContact O-CB 3.29Å; P239-L619 WeakPolarHBondContact O-CB 3.35Å; P239-L619 PolarHBondContact O-N 3.23Å
240	K	98.3	Very high	98	Very high	100 Å²	100	27 Å²	27	44%	0.435	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-4	179.4	-66.3	-161.9	176.5	-177.1	0	114.4	D238 Y324 L619	D238-K240 PolarHBondContact O-N 3.13Å; D238-K240 PolarHBondContact OD1-N 3.27Å; K240-Y324 HydrophobicContact CB-CE1 4.44Å; K240-Y324 HydrophobicContact CB-CE2 4.49Å; K240-Y324 HydrophobicContact CD-CD1 3.88Å; K240-Y324 HydrophobicContact CD-CE1 3.46Å; K240-Y324 VanDerWaalsContact CD-CE1 3.46Å; K240-Y324 VanDerWaalsContact CE-CD1 3.47Å; K240-Y324 HydrophobicContact CG-CD1 4.2Å; K240-Y324 HydrophobicContact CG-CD2 4.49Å; K240-Y324 HydrophobicContact CG-CE1 3.74Å; K240-Y324 HydrophobicContact CG-CE2 4.03Å; K240-L619 HydrophobicContact CG-CB 4.15Å; K240-L619 HydrophobicContact CG-CD2 4.32Å
241	N	97.8	Very high	98	Very high	61 Å²	61	28.4 Å²	28.4	33%	0.326	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	88.6	174.8	179.4	12.9	0	0	0	110.3	D238 N243 S244 N618	D238-N241 HydrophobicContact CB-CB 4.36Å; D238-N241 CarbonylContact O-C 3.4Å; D238-N241 PolarHBondContact O-N 3.28Å; N241-N243 PolarHBondContact O-N 3.39Å; N241-N243 PolarHBondContact OD1-N 2.71Å; N241-S244 PolarHBondContact ND2-OG 2.98Å; N241-S244 VanDerWaalsContact ND2-OG 3.15Å; N241-S244 PolarHBondContact O-N 2.99Å; N241-N618 VanDerWaalsContact CA-OD1 3.24Å; N241-N618 WeakPolarHBondContact CA-OD1 3.2Å
242	S	96.9	Very high	97.9	Very high	12 Å²	12	29.4 Å²	29.4	8%	0.084	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-10.4	-175.9	59.7	0	0	0	0	115	T237 D238 P546 T565 E616 N618	T237-S242 VanDerWaalsContact CG2-CA 3.48Å; T237-S242 WeakPolarHBondContact CG2-O 3.39Å; D238-S242 PolarHBondContact O-N 3.36Å; S242-P546 WeakPolarHBondContact O-CG 3.37Å; S242-T565 VanDerWaalsContact CB-O 3.29Å; S242-T565 WeakPolarHBondContact CB-O 3.22Å; S242-E616 WeakPolarHBondContact CB-O 3.46Å; S242-E616 PolarHBondContact OG-O 2.77Å; S242-N618 PolarHBondContact N-OD1 2.94Å; S242-N618 PolarHBondContact OG-OD1 3Å
243	N	97	Very high	97.8	Very high	105 Å²	105	28.8 Å²	28.8	56%	0.561	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	4.4	176.5	-62.3	-56.5	0	0	0	113.5	N241 P546	N241-N243 PolarHBondContact O-N 3.39Å; N241-N243 PolarHBondContact OD1-N 2.71Å; N243-P546 VanDerWaalsContact C-CD 3.47Å
244	S	97.8	Very high	97.8	Very high	49 Å²	49	30 Å²	30	34%	0.343	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146.9	-178.4	-59.8	0	0	0	0	111.1	D238 N241	D238-S244 PolarHBondContact N-O 2.76Å; N241-S244 PolarHBondContact ND2-OG 2.98Å; N241-S244 VanDerWaalsContact ND2-OG 3.15Å; N241-S244 PolarHBondContact O-N 2.99Å
245	N	98.4	Very high	97.8	Very high	21 Å²	21	31.9 Å²	31.9	11%	0.112	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	155.8	167.6	-72.8	-55.4	0	0	0	110.5	V235 S236 T237 Q541 K544	V235-N245 HydrophobicContact CG1-CB 3.89Å; S236-N245 CarbonylContact O-C 3.54Å; S236-N245 VanDerWaalsContact O-CA 3.29Å; S236-N245 WeakPolarHBondContact O-CA 3.48Å; S236-N245 PolarHBondContact O-OD1 3.25Å; T237-N245 WeakPolarHBondContact CA-OD1 3.5Å; T237-N245 PolarHBondContact N-OD1 3.48Å; T237-N245 VanDerWaalsContact N-OD1 3.1Å; N245-Q541 PolarHBondContact ND2-O 2.7Å; N245-K544 PolarHBondContact ND2-O 2.94Å
246	V	98.7	Very high	97.7	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	153.5	177.1	69.8	0	0	0	0	110.1	S236 D238 Q248 P359 V361	S236-V246 PolarHBondContact N-O 3.2Å; S236-V246 PolarHBondContact O-N 3.29Å; D238-V246 HydrophobicContact CB-CB 4.05Å; D238-V246 HydrophobicContact CB-CG1 3.75Å; V246-Q248 HydrophobicContact CG1-CG 4.13Å; V246-P359 HydrophobicContact CG2-CB 4.31Å; V246-P359 HydrophobicContact CG2-CG 4.49Å; V246-P359 WeakPolarHBondContact CG2-O 3.34Å; V246-V361 HydrophobicContact CG1-CB 4.35Å; V246-V361 HydrophobicContact CG1-CG2 3.73Å; V246-V361 HydrophobicContact CG2-CG2 4.01Å
247	I	98.8	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.8	169.9	-55.6	174.1	0	0	0	108	V233 L345 L349 L354 E358 V360 V361 L542	V233-I247 HydrophobicContact CG1-CG2 4.09Å; I247-L345 HydrophobicContact CD1-CD1 4.5Å; I247-L345 HydrophobicContact CG2-CD2 4Å; I247-L349 HydrophobicContact CD1-CD1 3.55Å; I247-L349 HydrophobicContact CG1-CD1 3.75Å; I247-L349 HydrophobicContact CG2-CD1 4.45Å; I247-L354 HydrophobicContact CD1-CD1 4.12Å; I247-E358 HydrophobicContact CD1-CG 3.87Å; I247-V360 HydrophobicContact CB-CG1 4.34Å; I247-V360 HydrophobicContact CB-CG2 4.26Å; I247-V360 HydrophobicContact CG2-CG1 4.09Å; I247-V360 HydrophobicContact CG2-CG2 4.4Å; I247-V360 CarbonylContact O-C 3.48Å; I247-V360 WeakPolarHBondContact O-CA 3.34Å; I247-V361 PolarHBondContact O-N 2.94Å; I247-L542 HydrophobicContact CD1-CD2 4.17Å; I247-L542 HydrophobicContact CG1-CD1 3.83Å; I247-L542 HydrophobicContact CG1-CD2 4Å
248	Q	98.6	Very high	97.6	Very high	28 Å²	28	31.8 Å²	31.8	13%	0.131	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.8	177.1	-70.7	170.6	-10.6	0	0	109.9	V233 G234 S236 T237 V246 V361 Y363	V233-Q248 WeakPolarHBondContact CA-O 3.49Å; G234-Q248 PolarHBondContact N-O 3.4Å; G234-Q248 PolarHBondContact O-N 3.05Å; S236-Q248 PolarHBondContact OG-NE2 3.25Å; S236-Q248 PolarHBondContact OG-OE1 3.34Å; T237-Q248 PolarHBondContact O-NE2 2.9Å; V246-Q248 HydrophobicContact CG1-CG 4.13Å; Q248-V361 WeakPolarHBondContact CA-O 3.47Å; Q248-V361 HydrophobicContact CG-CB 4.2Å; Q248-Y363 HydrophobicContact CB-CE2 4.17Å; Q248-Y363 HydrophobicContact CG-CE2 3.96Å
249	V	98.8	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.8	175.3	-174	0	0	0	0	109.5	F231 S232 V233 L332 W341 V360 V361 L362 Y363 L368	F231-V249 HydrophobicContact CB-CG1 4.26Å; F231-V249 HydrophobicContact CD2-CG1 4.39Å; S232-V249 VanDerWaalsContact O-CA 3.31Å; S232-V249 WeakPolarHBondContact O-CA 3.36Å; V233-V249 HydrophobicContact CG2-CG2 4.12Å; V249-L332 HydrophobicContact CG2-CD2 4.42Å; V249-W341 HydrophobicContact CG1-CH2 4.05Å; V249-W341 HydrophobicContact CG1-CZ3 4.1Å; V249-W341 HydrophobicContact CG2-CZ3 4.39Å; V249-V360 HydrophobicContact CB-CG1 4.46Å; V249-V360 HydrophobicContact CG2-CG1 3.61Å; V249-V361 PolarHBondContact N-O 2.82Å; V249-L362 HydrophobicContact CB-CD2 3.85Å; V249-L362 HydrophobicContact CG2-CD2 4.25Å; V249-Y363 PolarHBondContact O-N 3.02Å; V249-Y363 VanDerWaalsContact O-N 3.13Å; V249-L368 HydrophobicContact CB-CD1 4.41Å; V249-L368 HydrophobicContact CG1-CD1 3.84Å; V249-L368 HydrophobicContact CG1-CD2 3.91Å
250	D	98.7	Very high	97.3	Very high	37 Å²	37	36.4 Å²	36.4	20%	0.198	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	171.3	-177.8	-159	13.3	0	0	0	113.2	F231 S232 R317 Y363 A364	F231-D250 CarbonylContact C-O 3.59Å; F231-D250 VanDerWaalsContact CA-O 3.31Å; F231-D250 WeakPolarHBondContact CA-O 3.5Å; F231-D250 WeakPolarHBondContact CB-O 3.44Å; S232-D250 PolarHBondContact N-O 3.03Å; S232-D250 PolarHBondContact O-N 3.48Å; S232-D250 VanDerWaalsContact O-N 3.13Å; S232-D250 PolarHBondContact OG-O 2.64Å; D250-R317 IonicContact OD1-CZ 2.74Å; D250-R317 IonicContact OD1-NH1 3.54Å; D250-R317 IonicContact OD1-NH2 2.64Å; D250-R317 PolarHBondContact OD1-NH2 2.9Å; D250-R317 IonicContact OD2-CZ 2.61Å; D250-R317 IonicContact OD2-NH2 3.94Å; D250-R317 PolarHBondContact OD2-NH2 2.64Å; D250-Y363 HydrophobicContact CB-CD2 4.36Å; D250-Y363 VanDerWaalsContact OD1-CB 3.29Å; D250-Y363 WeakPolarHBondContact OD1-CB 3.32Å; D250-A364 WeakPolarHBondContact OD1-CB 3.08Å
251	Q	98.5	Very high	97.1	Very high	30 Å²	30	31.8 Å²	31.8	14%	0.14	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	140.3	175.9	62.4	-175.4	43.4	0	0	112.6	T311 V312 A364 Y367	Q251-T311 HydrophobicContact CG-CG2 4.46Å; Q251-V312 PolarHBondContact NE2-O 3.25Å; Q251-A364 HydrophobicContact CB-CB 4.08Å; Q251-A364 HydrophobicContact CG-CB 4.37Å; Q251-Y367 VanDerWaalsContact CA-CE1 3.42Å; Q251-Y367 HydrophobicContact CB-CD1 3.72Å; Q251-Y367 HydrophobicContact CB-CD2 3.85Å; Q251-Y367 HydrophobicContact CB-CE1 3.6Å; Q251-Y367 HydrophobicContact CB-CE2 3.74Å; Q251-Y367 HydrophobicContact CB-CG 3.85Å
252	S	97.9	Very high	97.1	Very high	25 Å²	25	28.9 Å²	28.9	18%	0.175	16%	0.161	C	C	.	.			trans	-156.9	-164.6	175.6	77.4	0	0	0	0	111.8	Q228 F231 S232 Y367	Q228-S252 PolarHBondContact O-OG 2.71Å; F231-S252 WeakPolarHBondContact CA-OG 3.25Å; F231-S252 PolarHBondContact N-OG 3.11Å; F231-S252 PolarHBondContact O-OG 3.31Å; S232-S252 PolarHBondContact N-OG 3.15Å; S252-Y367 PolarHBondContact N-OH 3.46Å; S252-Y367 PolarHBondContact O-OH 2.8Å
253	G	96.1	Very high	96.9	Very high	13 Å²	13	31 Å²	31	13%	0.134	17%	0.171	C	C	.	.			trans	93.2	4.2	163.7	0	0	0	0	0	115.9	Y386	G253-Y386 VanDerWaalsContact C-OH 3.23Å; G253-Y386 WeakPolarHBondContact CA-OH 3.34Å; G253-Y386 PolarHBondContact O-OH 2.8Å
254	L	97.5	Very high	96.5	Very high	41 Å²	41	29.6 Å²	29.6	22%	0.215	16%	0.163	C	C	.	.			trans	-94.3	143.7	168.9	-56.8	-178.1	0	0	0	110	R259 Y262 E304 L307 A308 T311	L254-R259 HydrophobicContact CD1-CB 4.02Å; L254-Y262 HydrophobicContact CB-CE2 4Å; L254-Y262 HydrophobicContact CD1-CD2 4.39Å; L254-Y262 HydrophobicContact CD1-CE2 4.17Å; L254-Y262 HydrophobicContact CD2-CE2 4.09Å; L254-Y262 HydrophobicContact CG-CE2 4.31Å; L254-E304 HydrophobicContact CD2-CB 4.39Å; L254-E304 WeakPolarHBondContact CD2-O 3.38Å; L254-L307 HydrophobicContact CD2-CB 4.11Å; L254-L307 HydrophobicContact CD2-CD2 4.2Å; L254-L307 HydrophobicContact CD2-CG 4.19Å; L254-A308 HydrophobicContact CD1-CB 3.81Å; L254-A308 HydrophobicContact CD2-CB 3.87Å; L254-T311 HydrophobicContact CD1-CG2 4.46Å
255	F	96.4	Very high	95.4	Very high	59 Å²	59	33.1 Å²	33.1	26%	0.259	17%	0.173	S	C	.	.			trans	-92.6	-42.4	175.2	-176.3	-107.6	0	0	0	113	Y262 Y275 Y278 Q393 L410	F255-Y262 PolarHBondContact N-OH 3.37Å; F255-Y262 VanDerWaalsContact N-OH 3.09Å; F255-Y275 HydrophobicContact CB-CE1 4.49Å; F255-Y275 HydrophobicContact CB-CE2 4.11Å; F255-Y275 WeakPolarHBondContact CB-OH 3.31Å; F255-Y275 AromaticContact CD1-CD2 3.7Å; F255-Y275 HydrophobicContact CD1-CD2 3.7Å; F255-Y275 AromaticContact CD1-CE2 3.08Å; F255-Y275 HydrophobicContact CD1-CE2 3.08Å; F255-Y275 AromaticContact CD1-CZ 3.61Å; F255-Y275 AromaticContact CE1-CD2 3.99Å; F255-Y275 HydrophobicContact CE1-CD2 3.99Å; F255-Y275 AromaticContact CE1-CE2 3.62Å; F255-Y275 HydrophobicContact CE1-CE2 3.62Å; F255-Y275 AromaticContact CG-CE2 3.82Å; F255-Y275 HydrophobicContact CG-CE2 3.82Å; F255-Y275 AromaticContact CG-CZ 3.95Å; F255-Y278 HydrophobicContact CE1-CD1 4.34Å; F255-Y278 AromaticContact CE1-CE1 3.93Å; F255-Y278 HydrophobicContact CE1-CE1 3.93Å; F255-Y278 AromaticContact CZ-CE1 3.82Å; F255-Y278 HydrophobicContact CZ-CE1 3.82Å; F255-Q393 HydrophobicContact CD2-CB 4.07Å; F255-Q393 HydrophobicContact CD2-CG 3.56Å; F255-Q393 HydrophobicContact CE2-CB 3.93Å; F255-Q393 HydrophobicContact CE2-CG 3.62Å; F255-Q393 HydrophobicContact CG-CG 4.41Å; F255-L410 HydrophobicContact CD1-CD2 4.48Å; F255-L410 HydrophobicContact CE1-CD2 3.6Å; F255-L410 HydrophobicContact CZ-CD2 4.43Å
256	L	96.6	Very high	94.1	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	21%	0.206	C	C	.	.	S	Bend	trans	-67.8	149.2	177.6	-59.3	176.6	0	0	0	109.6	S258 Y261 Y262 V271 L272 Y275 L414	L256-S258 PolarHBondContact O-N 3.36Å; L256-Y261 HydrophobicContact CB-CG 4.38Å; L256-Y262 HydrophobicContact CB-CD2 4.39Å; L256-Y262 HydrophobicContact CB-CE2 3.57Å; L256-Y262 HydrophobicContact CD1-CD1 4.48Å; L256-Y262 HydrophobicContact CD1-CD2 4.47Å; L256-Y262 HydrophobicContact CD1-CE1 4.1Å; L256-Y262 HydrophobicContact CD1-CE2 4.1Å; L256-Y262 HydrophobicContact CG-CE1 4.41Å; L256-Y262 HydrophobicContact CG-CE2 4.04Å; L256-Y262 PolarHBondContact N-OH 3.36Å; L256-V271 HydrophobicContact CD1-CG1 4.25Å; L256-V271 HydrophobicContact CD2-CG1 4.17Å; L256-L272 HydrophobicContact CD1-CD2 3.86Å; L256-Y275 HydrophobicContact CD1-CD1 3.93Å; L256-Y275 HydrophobicContact CD1-CG 4.39Å; L256-Y275 HydrophobicContact CD2-CD1 4.12Å; L256-Y275 HydrophobicContact CD2-CD2 4.26Å; L256-Y275 HydrophobicContact CD2-CG 3.9Å; L256-Y275 HydrophobicContact CG-CD1 3.94Å; L256-Y275 HydrophobicContact CG-CE1 4.3Å; L256-Y275 HydrophobicContact CG-CG 4.24Å; L256-L414 HydrophobicContact CD2-CD1 4.47Å; L256-L414 HydrophobicContact CD2-CD2 4.43Å
257	P	94.8	Very high	93.1	Very high	53 Å²	53	41.2 Å²	41.2	34%	0.344	23%	0.229	S	C	.	.	S	Bend	trans	-59.1	-21.6	-166.9	-28.8	37.3	0	0	0	115.8	Y261 T722	P257-Y261 HydrophobicContact CB-CE2 4.3Å; P257-Y261 HydrophobicContact CG-CE2 4.38Å; P257-T722 HydrophobicContact CB-CG2 3.57Å
258	S	95.2	Very high	92.5	Very high	21 Å²	21	41.6 Å²	41.6	15%	0.147	23%	0.231	C	C	.	.	S	Bend	trans	-147.9	152.9	178	170.6	0	0	0	0	111.1	L256 D260 Y261 V721	L256-S258 PolarHBondContact O-N 3.36Å; S258-D260 PolarHBondContact O-N 3.38Å; S258-D260 VanDerWaalsContact O-N 3.14Å; S258-D260 PolarHBondContact OG-N 3.16Å; S258-Y261 PolarHBondContact O-N 2.69Å; S258-V721 VanDerWaalsContact CB-CG1 3.48Å; S258-V721 WeakPolarHBondContact OG-CG1 3.46Å
259	R	96	Very high	92.1	Very high	42 Å²	42	47 Å²	47	16%	0.158	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-30.6	169.9	67.8	-177.8	-61.1	-79.4	7.6	112.7	L254 Y261 Y262 L263 A308 N309 T311	L254-R259 HydrophobicContact CD1-CB 4.02Å; R259-Y261 VanDerWaalsContact C-N 3.25Å; R259-Y261 PolarHBondContact O-N 3.47Å; R259-Y262 WeakPolarHBondContact O-CB 3.39Å; R259-Y262 PolarHBondContact O-N 3.32Å; R259-L263 VanDerWaalsContact NH1-CD1 3.25Å; R259-L263 WeakPolarHBondContact O-CG 3.43Å; R259-L263 PolarHBondContact O-N 3.36Å; R259-A308 HydrophobicContact CB-CB 4.05Å; R259-A308 PolarHBondContact NE-O 2.75Å; R259-A308 PolarHBondContact NH2-O 2.91Å; R259-N309 PolarHBondContact NH2-O 3.17Å; R259-T311 HydrophobicContact CB-CG2 4.4Å; R259-T311 PolarHBondContact NE-O 2.88Å
260	D	93.8	Very high	91.8	Very high	62 Å²	62	55.5 Å²	55.5	33%	0.332	29%	0.293	S	S	.	.	H	α-helix	trans	-71.4	-21.2	-174.2	-65.9	-22.4	0	0	0	112.8	S258 Y262 L263 N264 N268 V721	S258-D260 PolarHBondContact O-N 3.38Å; S258-D260 VanDerWaalsContact O-N 3.14Å; S258-D260 PolarHBondContact OG-N 3.16Å; D260-Y262 PolarHBondContact O-N 2.95Å; D260-L263 PolarHBondContact O-N 3.46Å; D260-N264 WeakPolarHBondContact O-CB 3.43Å; D260-N264 PolarHBondContact O-N 3.15Å; D260-N268 PolarHBondContact O-ND2 2.86Å; D260-N268 VanDerWaalsContact O-ND2 3.16Å; D260-V721 HydrophobicContact CB-CG1 3.9Å
261	Y	95.7	Very high	91.6	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-33.3	169.1	-82.3	-78.1	0	0	0	112.6	L256 P257 S258 R259 N268 V271 L414 E718	L256-Y261 HydrophobicContact CB-CG 4.38Å; P257-Y261 HydrophobicContact CB-CE2 4.3Å; P257-Y261 HydrophobicContact CG-CE2 4.38Å; S258-Y261 PolarHBondContact O-N 2.69Å; R259-Y261 VanDerWaalsContact C-N 3.25Å; R259-Y261 PolarHBondContact O-N 3.47Å; Y261-N268 HydrophobicContact CD1-CB 4.17Å; Y261-N268 WeakPolarHBondContact O-CB 3.41Å; Y261-V271 HydrophobicContact CD1-CB 4.11Å; Y261-V271 HydrophobicContact CD1-CG1 3.7Å; Y261-V271 HydrophobicContact CD1-CG2 4.3Å; Y261-V271 HydrophobicContact CE1-CB 4.35Å; Y261-V271 HydrophobicContact CE1-CG1 4.04Å; Y261-V271 HydrophobicContact CE1-CG2 4.04Å; Y261-L414 HydrophobicContact CD1-CD2 4.36Å; Y261-L414 HydrophobicContact CE1-CD2 3.89Å; Y261-E718 HydrophobicContact CE2-CG 4.42Å; Y261-E718 VanDerWaalsContact OH-CA 3.31Å; Y261-E718 WeakPolarHBondContact OH-CA 3.47Å; Y261-E718 WeakPolarHBondContact OH-CB 3.29Å; Y261-E718 WeakPolarHBondContact OH-CG 3.28Å
262	Y	96.6	Very high	91.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-81.9	-32.8	178.8	-61.5	-92.2	0	0	0	112.9	L254 F255 L256 R259 D260 K265 L272 Y275 L301 E304 A308	L254-Y262 HydrophobicContact CB-CE2 4Å; L254-Y262 HydrophobicContact CD1-CD2 4.39Å; L254-Y262 HydrophobicContact CD1-CE2 4.17Å; L254-Y262 HydrophobicContact CD2-CE2 4.09Å; L254-Y262 HydrophobicContact CG-CE2 4.31Å; F255-Y262 PolarHBondContact N-OH 3.37Å; F255-Y262 VanDerWaalsContact N-OH 3.09Å; L256-Y262 HydrophobicContact CB-CD2 4.39Å; L256-Y262 HydrophobicContact CB-CE2 3.57Å; L256-Y262 HydrophobicContact CD1-CD1 4.48Å; L256-Y262 HydrophobicContact CD1-CD2 4.47Å; L256-Y262 HydrophobicContact CD1-CE1 4.1Å; L256-Y262 HydrophobicContact CD1-CE2 4.1Å; L256-Y262 HydrophobicContact CG-CE1 4.41Å; L256-Y262 HydrophobicContact CG-CE2 4.04Å; L256-Y262 PolarHBondContact N-OH 3.36Å; R259-Y262 WeakPolarHBondContact O-CB 3.39Å; R259-Y262 PolarHBondContact O-N 3.32Å; D260-Y262 PolarHBondContact O-N 2.95Å; Y262-K265 WeakPolarHBondContact O-CG 3.29Å; Y262-L272 HydrophobicContact CD1-CD2 4.26Å; Y262-Y275 HydrophobicContact CE1-CE1 4.26Å; Y262-L301 HydrophobicContact CD1-CD1 4.21Å; Y262-L301 HydrophobicContact CE1-CD1 3.98Å; Y262-E304 HydrophobicContact CD1-CB 4.3Å; Y262-E304 HydrophobicContact CE1-CB 3.64Å; Y262-E304 WeakPolarHBondContact CE1-OE2 3.39Å; Y262-E304 PolarHBondContact OH-OE2 3.29Å; Y262-A308 HydrophobicContact CD2-CB 3.82Å; Y262-A308 HydrophobicContact CG-CB 3.83Å
263	L	93.9	Very high	91.5	Very high	56 Å²	56	55 Å²	55	29%	0.293	30%	0.297	S	S	.	.	H	α-helix	trans	-96.8	-35.8	-168.8	-59	176.6	0	0	0	113.4	R259 D260 K265 N309	R259-L263 VanDerWaalsContact NH1-CD1 3.25Å; R259-L263 WeakPolarHBondContact O-CG 3.43Å; R259-L263 PolarHBondContact O-N 3.36Å; D260-L263 PolarHBondContact O-N 3.46Å; L263-K265 PolarHBondContact O-N 3.38Å; L263-N309 HydrophobicContact CD2-CB 4Å
264	N	86.8	Confident	91.5	Very high	76 Å²	76	55 Å²	55	41%	0.406	30%	0.296	S	S	.	.			trans	-85.8	63.5	175.9	-167.6	-2.2	0	0	0	111.2	D260 T266 A267 N268	D260-N264 WeakPolarHBondContact O-CB 3.43Å; D260-N264 PolarHBondContact O-N 3.15Å; N264-T266 VanDerWaalsContact C-N 3.26Å; N264-T266 PolarHBondContact O-N 3.47Å; N264-T266 PolarHBondContact OD1-OG1 2.71Å; N264-A267 HydrophobicContact CB-CB 4.45Å; N264-A267 WeakPolarHBondContact ND2-CB 3.43Å; N264-A267 PolarHBondContact O-N 2.94Å; N264-A267 VanDerWaalsContact O-N 3.1Å; N264-N268 WeakPolarHBondContact O-CB 3.44Å; N264-N268 PolarHBondContact O-N 3.23Å
265	K	74.6	Confident	91.5	Very high	123 Å²	123	53.1 Å²	53.1	54%	0.535	29%	0.286	S	S	.	.	H	α-helix	trans	-57.3	-35.6	-170.8	-65.2	-172.4	177	-172.6	0	113.6	Y262 L263 N268 E269 L272	Y262-K265 WeakPolarHBondContact O-CG 3.29Å; L263-K265 PolarHBondContact O-N 3.38Å; K265-N268 PolarHBondContact O-N 2.76Å; K265-E269 WeakPolarHBondContact O-CA 3.34Å; K265-E269 WeakPolarHBondContact O-CB 3.48Å; K265-E269 PolarHBondContact O-N 3.23Å; K265-L272 HydrophobicContact CG-CD1 4.06Å
266	T	71.1	Confident	91.6	Very high	133 Å²	133	51.2 Å²	51.2	82%	0.816	28%	0.278	S	S	*	.	H	α-helix	trans	-70.1	-33.4	-180	41.3	0	0	0	0	113.1	N264	N264-T266 VanDerWaalsContact C-N 3.26Å; N264-T266 PolarHBondContact O-N 3.47Å; N264-T266 PolarHBondContact OD1-OG1 2.71Å
267	A	78.3	Confident	91.7	Very high	60 Å²	60	55.7 Å²	55.7	50%	0.496	30%	0.302	S	S	.	.	H	α-helix	trans	-79.3	-33.8	174.7	0	0	0	0	0	111.5	N264	N264-A267 HydrophobicContact CB-CB 4.45Å; N264-A267 WeakPolarHBondContact ND2-CB 3.43Å; N264-A267 PolarHBondContact O-N 2.94Å; N264-A267 VanDerWaalsContact O-N 3.1Å
268	N	87.4	Confident	91.9	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.043	29%	0.287	C	S	.	.	H	α-helix	trans	-110.7	13.7	-167	-64.6	-39.6	0	0	0	114.8	D260 Y261 N264 K265 K270 V271 L272 H717	D260-N268 PolarHBondContact O-ND2 2.86Å; D260-N268 VanDerWaalsContact O-ND2 3.16Å; Y261-N268 HydrophobicContact CD1-CB 4.17Å; Y261-N268 WeakPolarHBondContact O-CB 3.41Å; N264-N268 WeakPolarHBondContact O-CB 3.44Å; N264-N268 PolarHBondContact O-N 3.23Å; K265-N268 PolarHBondContact O-N 2.76Å; N268-K270 PolarHBondContact O-N 3.21Å; N268-V271 PolarHBondContact O-N 3.35Å; N268-L272 PolarHBondContact O-N 3.25Å; N268-H717 PolarHBondContact OD1-NE2 3.3Å
269	E	89.8	Confident	92	Very high	142 Å²	142	52.4 Å²	52.4	66%	0.664	28%	0.28	S	S	*	.	H	α-helix	trans	-52.4	-43.1	-177.7	-174.5	178.3	-169	0	0	112.3	K265 V271 L272 A273	K265-E269 WeakPolarHBondContact O-CA 3.34Å; K265-E269 WeakPolarHBondContact O-CB 3.48Å; K265-E269 PolarHBondContact O-N 3.23Å; E269-V271 VanDerWaalsContact C-N 3.34Å; E269-V271 PolarHBondContact O-N 3.45Å; E269-L272 PolarHBondContact O-N 3Å; E269-A273 WeakPolarHBondContact O-CB 3.43Å; E269-A273 PolarHBondContact O-N 3.29Å
270	K	92.3	Very high	92.1	Very high	177 Å²	177	50.7 Å²	50.7	77%	0.77	27%	0.274	S	S	*	.	H	α-helix	trans	-61.7	-41.2	178.6	-67.7	-178.8	-179.7	175.9	0	112.5	N268 A274	N268-K270 PolarHBondContact O-N 3.21Å; K270-A274 WeakPolarHBondContact O-CB 3.4Å; K270-A274 PolarHBondContact O-N 2.97Å
271	V	95.1	Very high	92.4	Very high	11 Å²	11	50.5 Å²	50.5	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-71.3	-42.4	-179.6	174	0	0	0	0	110.6	L256 Y261 N268 E269 A273 A274 Y275 L414	L256-V271 HydrophobicContact CD1-CG1 4.25Å; L256-V271 HydrophobicContact CD2-CG1 4.17Å; Y261-V271 HydrophobicContact CD1-CB 4.11Å; Y261-V271 HydrophobicContact CD1-CG1 3.7Å; Y261-V271 HydrophobicContact CD1-CG2 4.3Å; Y261-V271 HydrophobicContact CE1-CB 4.35Å; Y261-V271 HydrophobicContact CE1-CG1 4.04Å; Y261-V271 HydrophobicContact CE1-CG2 4.04Å; N268-V271 PolarHBondContact O-N 3.35Å; E269-V271 VanDerWaalsContact C-N 3.34Å; E269-V271 PolarHBondContact O-N 3.45Å; V271-A273 PolarHBondContact O-N 3.13Å; V271-A274 PolarHBondContact O-N 2.85Å; V271-Y275 WeakPolarHBondContact O-CB 3.48Å; V271-Y275 PolarHBondContact O-N 3.36Å; V271-L414 HydrophobicContact CB-CD2 4.48Å; V271-L414 HydrophobicContact CG1-CD2 3.39Å; V271-L414 HydrophobicContact CG1-CG 4.08Å; V271-L414 HydrophobicContact CG2-CD2 4.25Å
272	L	96.2	Very high	92.5	Very high	21 Å²	21	50.3 Å²	50.3	11%	0.11	27%	0.271	C	S	.	.	H	α-helix	trans	-64.3	-40.2	177.2	-69.8	172.6	0	0	0	112.1	L256 Y262 K265 N268 E269 Y275 L276 L301	L256-L272 HydrophobicContact CD1-CD2 3.86Å; Y262-L272 HydrophobicContact CD1-CD2 4.26Å; K265-L272 HydrophobicContact CG-CD1 4.06Å; N268-L272 PolarHBondContact O-N 3.25Å; E269-L272 PolarHBondContact O-N 3Å; L272-Y275 PolarHBondContact O-N 3.37Å; L272-L276 PolarHBondContact O-N 3.45Å; L272-L301 HydrophobicContact CD2-CD1 4.24Å
273	A	96.6	Very high	92.5	Very high	50 Å²	50	50.3 Å²	50.3	41%	0.413	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-47.5	173.5	0	0	0	0	0	111.5	E269 V271 Y275 L276 D277	E269-A273 WeakPolarHBondContact O-CB 3.43Å; E269-A273 PolarHBondContact O-N 3.29Å; V271-A273 PolarHBondContact O-N 3.13Å; A273-Y275 VanDerWaalsContact C-N 3.29Å; A273-Y275 PolarHBondContact O-N 2.71Å; A273-L276 PolarHBondContact O-N 2.96Å; A273-D277 PolarHBondContact O-N 3.18Å
274	A	96.8	Very high	92.7	Very high	14 Å²	14	50.4 Å²	50.4	12%	0.116	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-35.9	177.2	0	0	0	0	0	112.7	K270 V271 D277 Y278 L410 S413	K270-A274 WeakPolarHBondContact O-CB 3.4Å; K270-A274 PolarHBondContact O-N 2.97Å; V271-A274 PolarHBondContact O-N 2.85Å; A274-D277 PolarHBondContact O-N 3.13Å; A274-Y278 WeakPolarHBondContact O-CB 3.49Å; A274-Y278 PolarHBondContact O-N 3.15Å; A274-L410 HydrophobicContact CB-CD1 4.09Å; A274-S413 VanDerWaalsContact CB-OG 3.31Å; A274-S413 WeakPolarHBondContact CB-OG 3.43Å
275	Y	98	Very high	93.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-68.5	-43.7	176.6	-180	-136.9	0	0	0	111.6	F255 L256 Y262 V271 L272 A273 D277 Y278 M279 L301 E304 W389 Q393 L410	F255-Y275 HydrophobicContact CB-CE1 4.49Å; F255-Y275 HydrophobicContact CB-CE2 4.11Å; F255-Y275 WeakPolarHBondContact CB-OH 3.31Å; F255-Y275 AromaticContact CD1-CD2 3.7Å; F255-Y275 HydrophobicContact CD1-CD2 3.7Å; F255-Y275 AromaticContact CD1-CE2 3.08Å; F255-Y275 HydrophobicContact CD1-CE2 3.08Å; F255-Y275 AromaticContact CD1-CZ 3.61Å; F255-Y275 AromaticContact CE1-CD2 3.99Å; F255-Y275 HydrophobicContact CE1-CD2 3.99Å; F255-Y275 AromaticContact CE1-CE2 3.62Å; F255-Y275 HydrophobicContact CE1-CE2 3.62Å; F255-Y275 AromaticContact CG-CE2 3.82Å; F255-Y275 HydrophobicContact CG-CE2 3.82Å; F255-Y275 AromaticContact CG-CZ 3.95Å; L256-Y275 HydrophobicContact CD1-CD1 3.93Å; L256-Y275 HydrophobicContact CD1-CG 4.39Å; L256-Y275 HydrophobicContact CD2-CD1 4.12Å; L256-Y275 HydrophobicContact CD2-CD2 4.26Å; L256-Y275 HydrophobicContact CD2-CG 3.9Å; L256-Y275 HydrophobicContact CG-CD1 3.94Å; L256-Y275 HydrophobicContact CG-CE1 4.3Å; L256-Y275 HydrophobicContact CG-CG 4.24Å; Y262-Y275 HydrophobicContact CE1-CE1 4.26Å; V271-Y275 WeakPolarHBondContact O-CB 3.48Å; V271-Y275 PolarHBondContact O-N 3.36Å; L272-Y275 PolarHBondContact O-N 3.37Å; A273-Y275 VanDerWaalsContact C-N 3.29Å; A273-Y275 PolarHBondContact O-N 2.71Å; Y275-D277 VanDerWaalsContact C-N 3.34Å; Y275-D277 PolarHBondContact O-N 2.93Å; Y275-Y278 HydrophobicContact CD2-CD1 4.08Å; Y275-Y278 HydrophobicContact CE2-CD1 4.21Å; Y275-Y278 WeakPolarHBondContact O-CB 3.44Å; Y275-Y278 PolarHBondContact O-N 3.45Å; Y275-M279 HydrophobicContact CD1-SD 4.08Å; Y275-M279 HydrophobicContact CD2-CG 4.11Å; Y275-M279 HydrophobicContact CD2-SD 4.35Å; Y275-M279 HydrophobicContact CE1-SD 3.75Å; Y275-M279 HydrophobicContact CE2-CG 3.76Å; Y275-M279 HydrophobicContact CE2-SD 4.02Å; Y275-M279 HydrophobicContact CG-SD 4.36Å; Y275-M279 WeakPolarHBondContact O-CG 3.36Å; Y275-M279 PolarHBondContact O-N 3.32Å; Y275-L301 HydrophobicContact CD1-CD1 3.67Å; Y275-L301 HydrophobicContact CE1-CD1 3.82Å; Y275-E304 WeakPolarHBondContact CE1-OE2 3.05Å; Y275-E304 VanDerWaalsContact OH-CD 3.31Å; Y275-E304 PolarHBondContact OH-OE1 2.97Å; Y275-E304 PolarHBondContact OH-OE2 3.49Å; Y275-W389 AromaticContact CE2-CZ2 3.92Å; Y275-W389 HydrophobicContact CE2-CZ2 3.92Å; Y275-W389 AromaticContact CZ-NE1 4Å; Y275-W389 PolarHBondContact OH-NE1 3.18Å; Y275-Q393 PolarHBondContact OH-NE2 2.9Å; Y275-L410 HydrophobicContact CD2-CD2 4.02Å
276	L	98.3	Very high	94.4	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-44.4	173.4	-178.1	61.6	0	0	0	111.7	L272 A273 Y278 M279 V280 M297 Q298 L301	L272-L276 PolarHBondContact O-N 3.45Å; A273-L276 PolarHBondContact O-N 2.96Å; L276-Y278 VanDerWaalsContact C-N 3.3Å; L276-Y278 PolarHBondContact O-N 3.27Å; L276-M279 WeakPolarHBondContact O-CB 3.31Å; L276-M279 PolarHBondContact O-N 2.92Å; L276-V280 HydrophobicContact CD1-CG2 4.35Å; L276-V280 VanDerWaalsContact O-CG2 3.28Å; L276-V280 WeakPolarHBondContact O-CG2 3.05Å; L276-V280 PolarHBondContact O-N 2.92Å; L276-M297 HydrophobicContact CD1-CB 4.01Å; L276-Q298 HydrophobicContact CD1-CB 4.31Å; L276-L301 HydrophobicContact CB-CD2 4.05Å; L276-L301 HydrophobicContact CD1-CD2 4.37Å
277	D	98.2	Very high	95.6	Very high	99 Å²	99	39 Å²	39	53%	0.529	23%	0.226	S	C	.	.	H	α-helix	trans	-60.3	-42.1	176.9	-76.1	-17.8	0	0	0	111.4	A273 A274 Y275 V280 E281	A273-D277 PolarHBondContact O-N 3.18Å; A274-D277 PolarHBondContact O-N 3.13Å; Y275-D277 VanDerWaalsContact C-N 3.34Å; Y275-D277 PolarHBondContact O-N 2.93Å; D277-V280 PolarHBondContact O-N 3.42Å; D277-E281 WeakPolarHBondContact O-CB 3.49Å; D277-E281 PolarHBondContact O-N 3.21Å
278	Y	98.3	Very high	96.5	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-48.7	173.8	170.4	-107.9	0	0	0	112	F255 A274 Y275 L276 V280 E281 L282 W389 A406 Q407 L410	F255-Y278 HydrophobicContact CE1-CD1 4.34Å; F255-Y278 AromaticContact CE1-CE1 3.93Å; F255-Y278 HydrophobicContact CE1-CE1 3.93Å; F255-Y278 AromaticContact CZ-CE1 3.82Å; F255-Y278 HydrophobicContact CZ-CE1 3.82Å; A274-Y278 WeakPolarHBondContact O-CB 3.49Å; A274-Y278 PolarHBondContact O-N 3.15Å; Y275-Y278 HydrophobicContact CD2-CD1 4.08Å; Y275-Y278 HydrophobicContact CE2-CD1 4.21Å; Y275-Y278 WeakPolarHBondContact O-CB 3.44Å; Y275-Y278 PolarHBondContact O-N 3.45Å; L276-Y278 VanDerWaalsContact C-N 3.3Å; L276-Y278 PolarHBondContact O-N 3.27Å; Y278-V280 VanDerWaalsContact C-N 3.28Å; Y278-V280 PolarHBondContact O-N 3.19Å; Y278-E281 PolarHBondContact O-N 2.94Å; Y278-L282 HydrophobicContact CD2-CD2 4.38Å; Y278-L282 HydrophobicContact CD2-CG 4.2Å; Y278-L282 HydrophobicContact CE1-CD1 3.95Å; Y278-L282 HydrophobicContact CE1-CG 4.43Å; Y278-L282 HydrophobicContact CE2-CD1 3.84Å; Y278-L282 HydrophobicContact CE2-CD2 3.94Å; Y278-L282 HydrophobicContact CE2-CG 3.86Å; Y278-L282 WeakPolarHBondContact O-CG 3.5Å; Y278-L282 PolarHBondContact O-N 3.17Å; Y278-W389 HydrophobicContact CD1-CH2 4.09Å; Y278-W389 HydrophobicContact CD1-CZ2 4.31Å; Y278-W389 AromaticContact CE1-CH2 3.88Å; Y278-W389 HydrophobicContact CE1-CH2 3.88Å; Y278-W389 HydrophobicContact CE1-CZ2 4.16Å; Y278-A406 HydrophobicContact CD2-CB 3.98Å; Y278-A406 WeakPolarHBondContact CD2-O 3.4Å; Y278-A406 HydrophobicContact CE2-CB 4.17Å; Y278-Q407 HydrophobicContact CE2-CB 4.04Å; Y278-L410 HydrophobicContact CD1-CD2 3.82Å; Y278-L410 HydrophobicContact CD2-CB 4.48Å; Y278-L410 HydrophobicContact CE1-CD2 4.25Å; Y278-L410 HydrophobicContact CG-CB 4.32Å; Y278-L410 HydrophobicContact CG-CD2 4.01Å
279	M	98.6	Very high	96.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-55.3	-45.1	175.9	-67.2	169.3	81.1	0	0	111.4	Y275 L276 L282 G283 M297 I300 L301 W389	Y275-M279 HydrophobicContact CD1-SD 4.08Å; Y275-M279 HydrophobicContact CD2-CG 4.11Å; Y275-M279 HydrophobicContact CD2-SD 4.35Å; Y275-M279 HydrophobicContact CE1-SD 3.75Å; Y275-M279 HydrophobicContact CE2-CG 3.76Å; Y275-M279 HydrophobicContact CE2-SD 4.02Å; Y275-M279 HydrophobicContact CG-SD 4.36Å; Y275-M279 WeakPolarHBondContact O-CG 3.36Å; Y275-M279 PolarHBondContact O-N 3.32Å; L276-M279 WeakPolarHBondContact O-CB 3.31Å; L276-M279 PolarHBondContact O-N 2.92Å; M279-L282 PolarHBondContact O-N 3.18Å; M279-G283 PolarHBondContact O-N 3.39Å; M279-M297 HydrophobicContact CB-CB 3.77Å; M279-M297 HydrophobicContact CB-CG 3.75Å; M279-M297 HydrophobicContact CB-SD 3.83Å; M279-M297 HydrophobicContact CE-CB 4.18Å; M279-M297 WeakPolarHBondContact CE-O 3.43Å; M279-M297 HydrophobicContact CE-SD 4Å; M279-M297 WeakPolarHBondContact O-CE 3.33Å; M279-I300 HydrophobicContact CE-CB 3.62Å; M279-I300 HydrophobicContact CE-CG2 3.49Å; M279-I300 VanDerWaalsContact CE-CG2 3.49Å; M279-L301 HydrophobicContact CE-CB 4.46Å; M279-L301 HydrophobicContact SD-CB 4.24Å; M279-W389 HydrophobicContact CB-CH2 4.08Å; M279-W389 HydrophobicContact CB-CZ2 4.16Å; M279-W389 HydrophobicContact CE-CZ2 4.49Å; M279-W389 HydrophobicContact CG-CH2 3.76Å; M279-W389 HydrophobicContact CG-CZ2 3.36Å
280	V	98.6	Very high	97.1	Very high	7 Å²	7	41.2 Å²	41.2	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-70.1	-40.3	-178.1	173.5	0	0	0	0	112.3	L276 D277 Y278 G283 T284 T293 Q294 M297	L276-V280 HydrophobicContact CD1-CG2 4.35Å; L276-V280 VanDerWaalsContact O-CG2 3.28Å; L276-V280 WeakPolarHBondContact O-CG2 3.05Å; L276-V280 PolarHBondContact O-N 2.92Å; D277-V280 PolarHBondContact O-N 3.42Å; Y278-V280 VanDerWaalsContact C-N 3.28Å; Y278-V280 PolarHBondContact O-N 3.19Å; V280-G283 PolarHBondContact O-N 2.7Å; V280-T284 WeakPolarHBondContact O-CB 3.4Å; V280-T284 PolarHBondContact O-N 2.71Å; V280-T284 PolarHBondContact O-OG1 2.7Å; V280-T293 HydrophobicContact CB-CG2 4.35Å; V280-T293 HydrophobicContact CG1-CG2 4.13Å; V280-T293 HydrophobicContact CG2-CG2 4.47Å; V280-Q294 HydrophobicContact CG2-CB 4.41Å; V280-M297 HydrophobicContact CG2-CB 3.83Å; V280-M297 HydrophobicContact CG2-CG 4.08Å
281	E	98.3	Very high	97.2	Very high	57 Å²	57	36.9 Å²	36.9	27%	0.266	22%	0.218	S	C	.	.	H	α-helix	trans	-61.3	-47.2	175.3	-173.3	162.8	-165.7	0	0	110.6	D277 Y278 T284 L285 A406 K409	D277-E281 WeakPolarHBondContact O-CB 3.49Å; D277-E281 PolarHBondContact O-N 3.21Å; Y278-E281 PolarHBondContact O-N 2.94Å; E281-T284 PolarHBondContact O-N 3.18Å; E281-L285 HydrophobicContact CG-CD1 4.34Å; E281-L285 WeakPolarHBondContact O-CG 3.39Å; E281-L285 PolarHBondContact O-N 2.75Å; E281-A406 HydrophobicContact CB-CB 4.39Å; E281-A406 HydrophobicContact CG-CB 3.9Å; E281-K409 IonicContact OE1-NZ 3.85Å; E281-K409 PolarHBondContact OE1-NZ 2.94Å; E281-K409 IonicContact OE2-NZ 3.58Å; E281-K409 PolarHBondContact OE2-NZ 3.01Å
282	L	98.4	Very high	97.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.6	-46.2	176.9	-65.8	-153.1	0	0	0	112.8	Y278 M279 T284 L285 L286 W389 V392 V396 F403 A406	Y278-L282 HydrophobicContact CD2-CD2 4.38Å; Y278-L282 HydrophobicContact CD2-CG 4.2Å; Y278-L282 HydrophobicContact CE1-CD1 3.95Å; Y278-L282 HydrophobicContact CE1-CG 4.43Å; Y278-L282 HydrophobicContact CE2-CD1 3.84Å; Y278-L282 HydrophobicContact CE2-CD2 3.94Å; Y278-L282 HydrophobicContact CE2-CG 3.86Å; Y278-L282 WeakPolarHBondContact O-CG 3.5Å; Y278-L282 PolarHBondContact O-N 3.17Å; M279-L282 PolarHBondContact O-N 3.18Å; L282-T284 PolarHBondContact O-N 3.49Å; L282-L285 HydrophobicContact CD2-CD1 4.26Å; L282-L285 PolarHBondContact O-N 2.67Å; L282-L285 VanDerWaalsContact O-N 3.16Å; L282-L286 WeakPolarHBondContact O-CB 3.43Å; L282-L286 VanDerWaalsContact O-CG 3.28Å; L282-L286 WeakPolarHBondContact O-CG 3.41Å; L282-L286 PolarHBondContact O-N 2.81Å; L282-W389 HydrophobicContact CB-CH2 4.41Å; L282-W389 HydrophobicContact CB-CZ3 4.05Å; L282-W389 HydrophobicContact CD1-CH2 3.9Å; L282-W389 HydrophobicContact CD1-CZ3 3.99Å; L282-W389 HydrophobicContact CG-CH2 4.41Å; L282-W389 HydrophobicContact CG-CZ3 4.48Å; L282-V392 HydrophobicContact CD1-CG1 3.93Å; L282-V396 HydrophobicContact CD1-CB 4.37Å; L282-V396 HydrophobicContact CD1-CG2 3.75Å; L282-V396 HydrophobicContact CD2-CG2 4.3Å; L282-F403 HydrophobicContact CD2-CD1 3.64Å; L282-F403 HydrophobicContact CD2-CE1 4.2Å; L282-A406 HydrophobicContact CD2-CB 3.73Å
283	G	98.1	Very high	97.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-36.5	176.7	0	0	0	0	0	112.3	M279 V280 L286 G287 G288	M279-G283 PolarHBondContact O-N 3.39Å; V280-G283 PolarHBondContact O-N 2.7Å; G283-L286 PolarHBondContact O-N 3.28Å; G283-G287 PolarHBondContact O-N 2.61Å; G283-G288 WeakPolarHBondContact O-CA 3.18Å; G283-G288 PolarHBondContact O-N 3.37Å
284	T	98	Very high	97.4	Very high	58 Å²	58	38.1 Å²	38.1	36%	0.356	22%	0.221	S	C	.	.	H	α-helix	trans	-71.2	-43.1	175.8	-53.2	0	0	0	0	111.9	V280 E281 L282 L286 G287	V280-T284 WeakPolarHBondContact O-CB 3.4Å; V280-T284 PolarHBondContact O-N 2.71Å; V280-T284 PolarHBondContact O-OG1 2.7Å; E281-T284 PolarHBondContact O-N 3.18Å; L282-T284 PolarHBondContact O-N 3.49Å; T284-L286 PolarHBondContact O-N 2.7Å; T284-G287 PolarHBondContact O-N 3.36Å
285	L	98.1	Very high	97.4	Very high	32 Å²	32	42.9 Å²	42.9	17%	0.168	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-26.5	175.9	-70.7	173.4	0	0	0	112.9	S190 E281 L282 G287 R402 F403	S190-L285 PolarHBondContact OG-O 2.89Å; E281-L285 HydrophobicContact CG-CD1 4.34Å; E281-L285 WeakPolarHBondContact O-CG 3.39Å; E281-L285 PolarHBondContact O-N 2.75Å; L282-L285 HydrophobicContact CD2-CD1 4.26Å; L282-L285 PolarHBondContact O-N 2.67Å; L282-L285 VanDerWaalsContact O-N 3.16Å; L285-G287 VanDerWaalsContact C-N 3.31Å; L285-R402 HydrophobicContact CD1-CB 3.91Å; L285-R402 HydrophobicContact CD2-CB 3.88Å; L285-R402 HydrophobicContact CD2-CG 4.45Å; L285-F403 HydrophobicContact CB-CE1 3.91Å; L285-F403 HydrophobicContact CB-CE2 4.29Å; L285-F403 HydrophobicContact CB-CZ 3.67Å; L285-F403 HydrophobicContact CD1-CD1 4.14Å; L285-F403 HydrophobicContact CD1-CD2 4.41Å; L285-F403 HydrophobicContact CD1-CE1 4.14Å; L285-F403 HydrophobicContact CD1-CE2 4.4Å; L285-F403 HydrophobicContact CD1-CG 4.28Å; L285-F403 HydrophobicContact CD1-CZ 4.28Å
286	L	97.8	Very high	97.4	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	9.4	176.1	-63.8	171.2	0	0	0	113.6	L193 I194 I197 W203 T206 L282 G283 T284 V392 F403	L193-L286 HydrophobicContact CB-CD2 4.3Å; L193-L286 HydrophobicContact CD2-CD1 4.2Å; L193-L286 HydrophobicContact CD2-CD2 3.93Å; L193-L286 HydrophobicContact CG-CD2 4.11Å; I194-L286 HydrophobicContact CG1-CD2 4.02Å; I197-L286 HydrophobicContact CD1-CD1 4.25Å; W203-L286 HydrophobicContact CH2-CD1 3.93Å; W203-L286 HydrophobicContact CZ2-CB 4.09Å; W203-L286 HydrophobicContact CZ2-CD1 3.83Å; T206-L286 VanDerWaalsContact CG2-O 3.24Å; T206-L286 WeakPolarHBondContact CG2-O 3.28Å; L282-L286 WeakPolarHBondContact O-CB 3.43Å; L282-L286 VanDerWaalsContact O-CG 3.28Å; L282-L286 WeakPolarHBondContact O-CG 3.41Å; L282-L286 PolarHBondContact O-N 2.81Å; G283-L286 PolarHBondContact O-N 3.28Å; T284-L286 PolarHBondContact O-N 2.7Å; L286-V392 HydrophobicContact CD1-CB 4.48Å; L286-V392 HydrophobicContact CD1-CG1 3.87Å; L286-V392 HydrophobicContact CD1-CG2 3.7Å; L286-F403 HydrophobicContact CD2-CE1 4.07Å; L286-F403 HydrophobicContact CD2-CZ 3.91Å; L286-F403 HydrophobicContact CG-CE1 4.15Å; L286-F403 HydrophobicContact CG-CZ 4.3Å
287	G	96.1	Very high	97.4	Very high	57 Å²	57	42.9 Å²	42.9	59%	0.588	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.3	8.9	170.5	0	0	0	0	0	115.7	G283 T284 L285	G283-G287 PolarHBondContact O-N 2.61Å; T284-G287 PolarHBondContact O-N 3.36Å; L285-G287 VanDerWaalsContact C-N 3.31Å
288	G	97	Very high	97.4	Very high	7 Å²	7	41.1 Å²	41.1	7%	0.072	23%	0.232	C	C	.	.			trans	-77.1	148.9	175.1	0	0	0	0	0	114.1	M205 G283	M205-G288 WeakPolarHBondContact O-CA 3.07Å; G283-G288 WeakPolarHBondContact O-CA 3.18Å; G283-G288 PolarHBondContact O-N 3.37Å
289	E	96.4	Very high	97.4	Very high	108 Å²	108	44.6 Å²	44.6	51%	0.505	25%	0.248	S	C	.	.			trans	-75.6	129.9	171.1	-172.1	-77.9	133.6	0	0	109.8	S291 A292 T293	E289-S291 VanDerWaalsContact C-N 3.34Å; E289-S291 PolarHBondContact O-N 3.26Å; E289-S291 WeakPolarHBondContact OE1-CB 3.5Å; E289-S291 PolarHBondContact OE1-N 3.49Å; E289-S291 PolarHBondContact OE1-OG 3.33Å; E289-S291 WeakPolarHBondContact OE2-CA 3.37Å; E289-S291 VanDerWaalsContact OE2-CB 3.28Å; E289-S291 WeakPolarHBondContact OE2-CB 3.28Å; E289-S291 PolarHBondContact OE2-N 3.05Å; E289-S291 VanDerWaalsContact OE2-N 3.09Å; E289-A292 HydrophobicContact CB-CB 4.49Å; E289-A292 PolarHBondContact O-N 3.25Å; E289-A292 PolarHBondContact OE2-N 3.4Å; E289-T293 WeakPolarHBondContact O-CB 3.43Å; E289-T293 PolarHBondContact O-N 3.1Å; E289-T293 PolarHBondContact O-OG1 2.65Å
290	K	94.3	Very high	97.4	Very high	142 Å²	142	44.6 Å²	44.6	62%	0.617	25%	0.248	S	C	*	.	H	α-helix	trans	-52.1	-45.4	-168.7	-175.1	174.1	-179.4	174.8	0	114.1	Q294	K290-Q294 WeakPolarHBondContact O-CB 3.27Å; K290-Q294 PolarHBondContact O-N 2.86Å
291	S	94.6	Very high	97.4	Very high	86 Å²	86	44.9 Å²	44.9	60%	0.601	25%	0.249	S	C	*	.	H	α-helix	trans	-70	-43.1	-175.9	-41.1	0	0	0	0	111.7	E289 L295	E289-S291 VanDerWaalsContact C-N 3.34Å; E289-S291 PolarHBondContact O-N 3.26Å; E289-S291 WeakPolarHBondContact OE1-CB 3.5Å; E289-S291 PolarHBondContact OE1-N 3.49Å; E289-S291 PolarHBondContact OE1-OG 3.33Å; E289-S291 WeakPolarHBondContact OE2-CA 3.37Å; E289-S291 VanDerWaalsContact OE2-CB 3.28Å; E289-S291 WeakPolarHBondContact OE2-CB 3.28Å; E289-S291 PolarHBondContact OE2-N 3.05Å; E289-S291 VanDerWaalsContact OE2-N 3.09Å; S291-L295 PolarHBondContact O-N 2.89Å
292	A	95.8	Very high	97.4	Very high	40 Å²	40	47.1 Å²	47.1	33%	0.331	26%	0.26	S	S	.	.	H	α-helix	trans	-65.8	-43.8	173.9	0	0	0	0	0	111.8	E289 Q294 L295 Q296	E289-A292 HydrophobicContact CB-CB 4.49Å; E289-A292 PolarHBondContact O-N 3.25Å; E289-A292 PolarHBondContact OE2-N 3.4Å; A292-Q294 VanDerWaalsContact C-N 3.33Å; A292-Q294 PolarHBondContact O-N 3.07Å; A292-L295 PolarHBondContact O-N 2.89Å; A292-Q296 WeakPolarHBondContact O-CG 3.33Å; A292-Q296 PolarHBondContact O-N 2.99Å
293	T	97.3	Very high	97.5	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-43.8	176.2	-63.4	0	0	0	0	111.3	M205 V280 E289 L295 Q296 M297	M205-T293 HydrophobicContact CG-CG2 4.49Å; M205-T293 HydrophobicContact SD-CG2 3.69Å; V280-T293 HydrophobicContact CB-CG2 4.35Å; V280-T293 HydrophobicContact CG1-CG2 4.13Å; V280-T293 HydrophobicContact CG2-CG2 4.47Å; E289-T293 WeakPolarHBondContact O-CB 3.43Å; E289-T293 PolarHBondContact O-N 3.1Å; E289-T293 PolarHBondContact O-OG1 2.65Å; T293-L295 VanDerWaalsContact C-N 3.32Å; T293-L295 PolarHBondContact O-N 3.37Å; T293-Q296 PolarHBondContact O-N 2.78Å; T293-M297 HydrophobicContact CG2-CE 4.48Å; T293-M297 HydrophobicContact CG2-CG 3.99Å; T293-M297 WeakPolarHBondContact O-CB 3.45Å; T293-M297 VanDerWaalsContact O-CG 3.28Å; T293-M297 WeakPolarHBondContact O-CG 3.4Å; T293-M297 PolarHBondContact O-N 3.37Å
294	Q	97.9	Very high	97.5	Very high	69 Å²	69	47.5 Å²	47.5	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-54.1	-48.6	175.8	-174.8	74.7	39.2	0	0	111.9	V280 K290 A292 Q298	V280-Q294 HydrophobicContact CG2-CB 4.41Å; K290-Q294 WeakPolarHBondContact O-CB 3.27Å; K290-Q294 PolarHBondContact O-N 2.86Å; A292-Q294 VanDerWaalsContact C-N 3.33Å; A292-Q294 PolarHBondContact O-N 3.07Å; Q294-Q298 WeakPolarHBondContact O-CB 3.2Å; Q294-Q298 PolarHBondContact O-N 2.97Å
295	L	97.4	Very high	97.5	Very high	113 Å²	113	45.9 Å²	45.9	59%	0.592	25%	0.252	S	S	*	.	H	α-helix	trans	-65.5	-44.7	-179.2	-176.1	65.8	0	0	0	111.6	S291 A292 T293 Q298 Q299	S291-L295 PolarHBondContact O-N 2.89Å; A292-L295 PolarHBondContact O-N 2.89Å; T293-L295 VanDerWaalsContact C-N 3.32Å; T293-L295 PolarHBondContact O-N 3.37Å; L295-Q298 WeakPolarHBondContact O-CB 3.47Å; L295-Q298 PolarHBondContact O-N 3.13Å; L295-Q299 WeakPolarHBondContact O-CG 3.31Å; L295-Q299 PolarHBondContact O-N 3.29Å; L295-Q299 VanDerWaalsContact O-N 3.14Å
296	Q	98.1	Very high	97.5	Very high	19 Å²	19	47.7 Å²	47.7	9%	0.089	26%	0.264	C	S	.	.	H	α-helix	trans	-67.3	-41.4	-178.6	-67.4	-177.2	30.4	0	0	112	N204 M205 A292 T293 Q298 Q299 I300 N385	N204-Q296 PolarHBondContact O-NE2 2.85Å; N204-Q296 PolarHBondContact O-OE1 3.03Å; M205-Q296 HydrophobicContact CE-CB 3.8Å; M205-Q296 HydrophobicContact SD-CB 4.06Å; A292-Q296 WeakPolarHBondContact O-CG 3.33Å; A292-Q296 PolarHBondContact O-N 2.99Å; T293-Q296 PolarHBondContact O-N 2.78Å; Q296-Q298 VanDerWaalsContact C-N 3.34Å; Q296-Q299 WeakPolarHBondContact O-CB 3.24Å; Q296-Q299 PolarHBondContact O-N 2.93Å; Q296-I300 WeakPolarHBondContact O-CG1 3.47Å; Q296-I300 PolarHBondContact O-N 2.99Å; Q296-I300 VanDerWaalsContact O-N 3.09Å; Q296-N385 PolarHBondContact OE1-ND2 3.02Å
297	M	98.4	Very high	97.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.5	-34.1	177.1	-67.1	-54.6	-179.1	0	0	112.2	W203 M205 L276 M279 V280 T293 Q299 I300 L301 W389	W203-M297 HydrophobicContact CH2-CE 4.16Å; W203-M297 HydrophobicContact CZ3-CE 4.26Å; M205-M297 HydrophobicContact CE-CE 3.27Å; M205-M297 HydrophobicContact CE-CG 4.44Å; M205-M297 HydrophobicContact CE-SD 3.9Å; M205-M297 HydrophobicContact CG-CE 4.49Å; M205-M297 HydrophobicContact SD-CE 3.88Å; L276-M297 HydrophobicContact CD1-CB 4.01Å; M279-M297 HydrophobicContact CB-CB 3.77Å; M279-M297 HydrophobicContact CB-CG 3.75Å; M279-M297 HydrophobicContact CB-SD 3.83Å; M279-M297 HydrophobicContact CE-CB 4.18Å; M279-M297 WeakPolarHBondContact CE-O 3.43Å; M279-M297 HydrophobicContact CE-SD 4Å; M279-M297 WeakPolarHBondContact O-CE 3.33Å; V280-M297 HydrophobicContact CG2-CB 3.83Å; V280-M297 HydrophobicContact CG2-CG 4.08Å; T293-M297 HydrophobicContact CG2-CE 4.48Å; T293-M297 HydrophobicContact CG2-CG 3.99Å; T293-M297 WeakPolarHBondContact O-CB 3.45Å; T293-M297 VanDerWaalsContact O-CG 3.28Å; T293-M297 WeakPolarHBondContact O-CG 3.4Å; T293-M297 PolarHBondContact O-N 3.37Å; M297-Q299 VanDerWaalsContact C-N 3.32Å; M297-Q299 PolarHBondContact O-N 2.94Å; M297-I300 PolarHBondContact O-N 3.42Å; M297-I300 HydrophobicContact SD-CD1 3.76Å; M297-L301 PolarHBondContact O-N 2.91Å; M297-W389 HydrophobicContact CE-CE3 4.08Å; M297-W389 HydrophobicContact CE-CZ3 4.31Å; M297-W389 HydrophobicContact SD-CE3 4.36Å
298	Q	98.5	Very high	97.7	Very high	62 Å²	62	44.9 Å²	44.9	29%	0.29	24%	0.235	S	C	.	.	H	α-helix	trans	-60	-42.4	171	179.6	62	45	0	0	111.5	L276 Q294 L295 Q296 I300 L301 E302	L276-Q298 HydrophobicContact CD1-CB 4.31Å; Q294-Q298 WeakPolarHBondContact O-CB 3.2Å; Q294-Q298 PolarHBondContact O-N 2.97Å; L295-Q298 WeakPolarHBondContact O-CB 3.47Å; L295-Q298 PolarHBondContact O-N 3.13Å; Q296-Q298 VanDerWaalsContact C-N 3.34Å; Q298-I300 PolarHBondContact O-N 3.14Å; Q298-L301 PolarHBondContact O-N 3.32Å; Q298-E302 WeakPolarHBondContact CG-OE1 3.47Å; Q298-E302 PolarHBondContact NE2-OE1 3.03Å; Q298-E302 WeakPolarHBondContact O-CG 3.24Å; Q298-E302 PolarHBondContact O-N 3.22Å
299	Q	98.6	Very high	97.7	Very high	78 Å²	78	49.6 Å²	49.6	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-65	-38.1	176.5	-67.8	171.9	-40.7	0	0	112.3	L295 Q296 M297 E302 F303 L382	L295-Q299 WeakPolarHBondContact O-CG 3.31Å; L295-Q299 PolarHBondContact O-N 3.29Å; L295-Q299 VanDerWaalsContact O-N 3.14Å; Q296-Q299 WeakPolarHBondContact O-CB 3.24Å; Q296-Q299 PolarHBondContact O-N 2.93Å; M297-Q299 VanDerWaalsContact C-N 3.32Å; M297-Q299 PolarHBondContact O-N 2.94Å; Q299-E302 PolarHBondContact O-N 3.27Å; Q299-F303 WeakPolarHBondContact O-CB 3.49Å; Q299-F303 PolarHBondContact O-N 3.1Å; Q299-L382 HydrophobicContact CB-CD1 3.74Å; Q299-L382 HydrophobicContact CB-CD2 4.29Å
300	I	98.8	Very high	97.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-43.2	175	-64.1	172.8	0	0	0	110.5	M279 Q296 M297 Q298 E302 F303 E304 L382 N385 Y386 W389	M279-I300 HydrophobicContact CE-CB 3.62Å; M279-I300 HydrophobicContact CE-CG2 3.49Å; M279-I300 VanDerWaalsContact CE-CG2 3.49Å; Q296-I300 WeakPolarHBondContact O-CG1 3.47Å; Q296-I300 PolarHBondContact O-N 2.99Å; Q296-I300 VanDerWaalsContact O-N 3.09Å; M297-I300 PolarHBondContact O-N 3.42Å; M297-I300 HydrophobicContact SD-CD1 3.76Å; Q298-I300 PolarHBondContact O-N 3.14Å; I300-E302 VanDerWaalsContact C-N 3.32Å; I300-E302 PolarHBondContact O-N 3.07Å; I300-F303 WeakPolarHBondContact O-CB 3.42Å; I300-F303 PolarHBondContact O-N 3.19Å; I300-E304 PolarHBondContact O-N 3.29Å; I300-L382 HydrophobicContact CG1-CD1 4.05Å; I300-N385 HydrophobicContact CD1-CB 4.03Å; I300-N385 HydrophobicContact CG1-CB 4.37Å; I300-Y386 HydrophobicContact CG2-CD2 4.09Å; I300-W389 HydrophobicContact CD1-CB 4.07Å; I300-W389 HydrophobicContact CD1-CG 4.39Å; I300-W389 HydrophobicContact CG2-CB 4.45Å; I300-W389 HydrophobicContact CG2-CG 4.13Å
301	L	98.6	Very high	98	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.063	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-39.9	176.4	178.9	59.3	0	0	0	112	Y262 L272 Y275 L276 M279 M297 Q298 E304 T305	Y262-L301 HydrophobicContact CD1-CD1 4.21Å; Y262-L301 HydrophobicContact CE1-CD1 3.98Å; L272-L301 HydrophobicContact CD2-CD1 4.24Å; Y275-L301 HydrophobicContact CD1-CD1 3.67Å; Y275-L301 HydrophobicContact CE1-CD1 3.82Å; L276-L301 HydrophobicContact CB-CD2 4.05Å; L276-L301 HydrophobicContact CD1-CD2 4.37Å; M279-L301 HydrophobicContact CE-CB 4.46Å; M279-L301 HydrophobicContact SD-CB 4.24Å; M297-L301 PolarHBondContact O-N 2.91Å; Q298-L301 PolarHBondContact O-N 3.32Å; L301-E304 PolarHBondContact O-N 3.11Å; L301-T305 WeakPolarHBondContact O-CB 3.28Å; L301-T305 PolarHBondContact O-N 3.03Å; L301-T305 PolarHBondContact O-OG1 2.76Å
302	E	98.3	Very high	98.2	Very high	104 Å²	104	37.1 Å²	37.1	49%	0.486	20%	0.197	S	C	.	.	H	α-helix	trans	-64	-41.7	173.7	-75	168.4	-165.3	0	0	111.7	Q298 Q299 I300 T305 V306	Q298-E302 WeakPolarHBondContact CG-OE1 3.47Å; Q298-E302 PolarHBondContact NE2-OE1 3.03Å; Q298-E302 WeakPolarHBondContact O-CG 3.24Å; Q298-E302 PolarHBondContact O-N 3.22Å; Q299-E302 PolarHBondContact O-N 3.27Å; I300-E302 VanDerWaalsContact C-N 3.32Å; I300-E302 PolarHBondContact O-N 3.07Å; E302-T305 WeakPolarHBondContact O-CB 3.28Å; E302-T305 PolarHBondContact O-N 2.95Å; E302-V306 WeakPolarHBondContact O-CG2 3.35Å; E302-V306 PolarHBondContact O-N 2.95Å
303	F	98.8	Very high	98.1	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.039	19%	0.19	C	C	.	.	H	α-helix	trans	-60.9	-48.9	173.8	-175.6	-87.4	0	0	0	111.7	F230 Q299 I300 T305 V306 L307 L374 T378 L383 Y386	F230-F303 HydrophobicContact CD1-CE1 4.12Å; F230-F303 HydrophobicContact CD1-CZ 4.04Å; F230-F303 AromaticContact CE1-CE1 3.74Å; F230-F303 HydrophobicContact CE1-CE1 3.74Å; F230-F303 AromaticContact CE1-CZ 3.56Å; F230-F303 HydrophobicContact CE1-CZ 3.56Å; Q299-F303 WeakPolarHBondContact O-CB 3.49Å; Q299-F303 PolarHBondContact O-N 3.1Å; I300-F303 WeakPolarHBondContact O-CB 3.42Å; I300-F303 PolarHBondContact O-N 3.19Å; F303-T305 PolarHBondContact O-N 3.14Å; F303-V306 PolarHBondContact O-N 2.77Å; F303-V306 VanDerWaalsContact O-N 3.15Å; F303-L307 PolarHBondContact O-N 2.74Å; F303-L374 HydrophobicContact CD2-CD2 4.49Å; F303-L374 HydrophobicContact CE1-CD2 4.35Å; F303-L374 HydrophobicContact CE2-CD1 4.02Å; F303-L374 HydrophobicContact CE2-CD2 3.76Å; F303-L374 HydrophobicContact CE2-CG 3.65Å; F303-L374 HydrophobicContact CZ-CD2 3.64Å; F303-L374 HydrophobicContact CZ-CG 3.91Å; F303-T378 HydrophobicContact CD2-CG2 3.99Å; F303-T378 HydrophobicContact CE2-CG2 3.92Å; F303-L383 HydrophobicContact CE2-CD2 4.12Å; F303-L383 HydrophobicContact CZ-CD2 4.2Å; F303-Y386 HydrophobicContact CD1-CD1 4.16Å; F303-Y386 AromaticContact CD1-CD2 3.92Å; F303-Y386 HydrophobicContact CD1-CD2 3.92Å; F303-Y386 HydrophobicContact CD1-CE1 4.41Å; F303-Y386 HydrophobicContact CD1-CE2 4.2Å; F303-Y386 AromaticContact CD1-CG 3.89Å; F303-Y386 HydrophobicContact CD1-CG 3.89Å; F303-Y386 AromaticContact CE1-CD1 3.75Å; F303-Y386 HydrophobicContact CE1-CD1 3.75Å; F303-Y386 HydrophobicContact CE1-CD2 4.28Å; F303-Y386 AromaticContact CE1-CE1 3.82Å; F303-Y386 HydrophobicContact CE1-CE1 3.82Å; F303-Y386 HydrophobicContact CE1-CE2 4.34Å; F303-Y386 AromaticContact CE1-CG 3.98Å; F303-Y386 HydrophobicContact CE1-CG 3.98Å
304	E	98.6	Very high	97.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-34.7	174.9	-74.7	-174.2	-168.3	0	0	111.9	L254 Y262 Y275 I300 L301 L307 A308 Y386 W389	L254-E304 HydrophobicContact CD2-CB 4.39Å; L254-E304 WeakPolarHBondContact CD2-O 3.38Å; Y262-E304 HydrophobicContact CD1-CB 4.3Å; Y262-E304 HydrophobicContact CE1-CB 3.64Å; Y262-E304 WeakPolarHBondContact CE1-OE2 3.39Å; Y262-E304 PolarHBondContact OH-OE2 3.29Å; Y275-E304 WeakPolarHBondContact CE1-OE2 3.05Å; Y275-E304 VanDerWaalsContact OH-CD 3.31Å; Y275-E304 PolarHBondContact OH-OE1 2.97Å; Y275-E304 PolarHBondContact OH-OE2 3.49Å; I300-E304 PolarHBondContact O-N 3.29Å; L301-E304 PolarHBondContact O-N 3.11Å; E304-L307 WeakPolarHBondContact O-CB 3.5Å; E304-L307 PolarHBondContact O-N 3.17Å; E304-A308 WeakPolarHBondContact O-CB 3.09Å; E304-A308 PolarHBondContact O-N 2.97Å; E304-Y386 HydrophobicContact CG-CD2 4.28Å; E304-Y386 HydrophobicContact CG-CE2 3.85Å; E304-W389 PolarHBondContact OE1-NE1 3.21Å
305	T	98.4	Very high	97.5	Very high	24 Å²	24	41 Å²	41	15%	0.147	21%	0.213	C	C	.	.	H	α-helix	trans	-66.2	-40.2	175.8	-57.1	0	0	0	0	111.8	L301 E302 F303 A308 N309	L301-T305 WeakPolarHBondContact O-CB 3.28Å; L301-T305 PolarHBondContact O-N 3.03Å; L301-T305 PolarHBondContact O-OG1 2.76Å; E302-T305 WeakPolarHBondContact O-CB 3.28Å; E302-T305 PolarHBondContact O-N 2.95Å; F303-T305 PolarHBondContact O-N 3.14Å; T305-A308 PolarHBondContact O-N 3.26Å; T305-N309 PolarHBondContact O-N 3.1Å; T305-N309 VanDerWaalsContact O-N 3.12Å
306	V	98.4	Very high	97.3	Very high	70 Å²	70	41.7 Å²	41.7	42%	0.424	21%	0.213	S	C	.	.	H	α-helix	trans	-65.4	-42.8	173.5	176.8	0	0	0	0	110.2	E302 F303 A308 N309 I310 L374	E302-V306 WeakPolarHBondContact O-CG2 3.35Å; E302-V306 PolarHBondContact O-N 2.95Å; F303-V306 PolarHBondContact O-N 2.77Å; F303-V306 VanDerWaalsContact O-N 3.15Å; V306-A308 PolarHBondContact O-N 3.16Å; V306-N309 WeakPolarHBondContact O-CB 3.43Å; V306-N309 PolarHBondContact O-N 3.34Å; V306-I310 HydrophobicContact CG1-CD1 4.24Å; V306-I310 WeakPolarHBondContact O-CG1 3.18Å; V306-I310 PolarHBondContact O-N 3.46Å; V306-L374 HydrophobicContact CG1-CD1 3.84Å; V306-L374 HydrophobicContact CG1-CD2 4.06Å
307	L	98.6	Very high	97.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-45	176	-169.4	61.5	0	0	0	111.5	L254 F303 E304 N309 I310 T311 Y367 V371 L374 Y386	L254-L307 HydrophobicContact CD2-CB 4.11Å; L254-L307 HydrophobicContact CD2-CD2 4.2Å; L254-L307 HydrophobicContact CD2-CG 4.19Å; F303-L307 PolarHBondContact O-N 2.74Å; E304-L307 WeakPolarHBondContact O-CB 3.5Å; E304-L307 PolarHBondContact O-N 3.17Å; L307-N309 VanDerWaalsContact C-N 3.26Å; L307-N309 PolarHBondContact O-N 3.29Å; L307-I310 WeakPolarHBondContact O-CA 3.4Å; L307-I310 WeakPolarHBondContact O-CB 3.4Å; L307-I310 PolarHBondContact O-N 3.13Å; L307-T311 PolarHBondContact O-N 3.3Å; L307-T311 PolarHBondContact O-OG1 3.24Å; L307-Y367 HydrophobicContact CD1-CE2 4.01Å; L307-Y367 WeakPolarHBondContact CD1-OH 3.46Å; L307-V371 HydrophobicContact CD1-CG2 3.57Å; L307-L374 HydrophobicContact CD1-CD2 4.45Å; L307-Y386 WeakPolarHBondContact CD2-OH 3.37Å
308	A	98.4	Very high	97	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-34.6	177.1	0	0	0	0	0	112.8	L254 R259 Y262 E304 T305 V306 I310 T311	L254-A308 HydrophobicContact CD1-CB 3.81Å; L254-A308 HydrophobicContact CD2-CB 3.87Å; R259-A308 HydrophobicContact CB-CB 4.05Å; R259-A308 PolarHBondContact NE-O 2.75Å; R259-A308 PolarHBondContact NH2-O 2.91Å; Y262-A308 HydrophobicContact CD2-CB 3.82Å; Y262-A308 HydrophobicContact CG-CB 3.83Å; E304-A308 WeakPolarHBondContact O-CB 3.09Å; E304-A308 PolarHBondContact O-N 2.97Å; T305-A308 PolarHBondContact O-N 3.26Å; V306-A308 PolarHBondContact O-N 3.16Å; A308-I310 VanDerWaalsContact C-N 3.32Å; A308-T311 WeakPolarHBondContact O-CB 3.41Å; A308-T311 PolarHBondContact O-N 2.91Å
309	N	98.3	Very high	96.8	Very high	106 Å²	106	41.4 Å²	41.4	57%	0.567	21%	0.21	S	C	*	.	H	α-helix	trans	-65.7	-35.9	174	-172.3	68.9	0	0	0	112.2	R259 L263 T305 V306 L307	R259-N309 PolarHBondContact NH2-O 3.17Å; L263-N309 HydrophobicContact CD2-CB 4Å; T305-N309 PolarHBondContact O-N 3.1Å; T305-N309 VanDerWaalsContact O-N 3.12Å; V306-N309 WeakPolarHBondContact O-CB 3.43Å; V306-N309 PolarHBondContact O-N 3.34Å; L307-N309 VanDerWaalsContact C-N 3.26Å; L307-N309 PolarHBondContact O-N 3.29Å
310	I	98.6	Very high	96.6	Very high	19 Å²	19	38.8 Å²	38.8	10%	0.097	20%	0.198	C	C	.	.	H	α-helix	trans	-75	-34.7	177.4	-60.2	164.8	0	0	0	111.3	V306 L307 A308 V312 Y367 Q370 V371 L374	V306-I310 HydrophobicContact CG1-CD1 4.24Å; V306-I310 WeakPolarHBondContact O-CG1 3.18Å; V306-I310 PolarHBondContact O-N 3.46Å; L307-I310 WeakPolarHBondContact O-CA 3.4Å; L307-I310 WeakPolarHBondContact O-CB 3.4Å; L307-I310 PolarHBondContact O-N 3.13Å; A308-I310 VanDerWaalsContact C-N 3.32Å; I310-V312 PolarHBondContact O-N 3.46Å; I310-Y367 HydrophobicContact CB-CD2 4.29Å; I310-Y367 HydrophobicContact CG2-CD2 3.61Å; I310-Y367 HydrophobicContact CG2-CE2 4.2Å; I310-Y367 HydrophobicContact CG2-CG 4.21Å; I310-Q370 HydrophobicContact CB-CB 4.49Å; I310-Q370 HydrophobicContact CD1-CB 4.12Å; I310-Q370 HydrophobicContact CG1-CB 4.19Å; I310-Q370 HydrophobicContact CG2-CB 3.44Å; I310-Q370 VanDerWaalsContact CG2-CB 3.44Å; I310-Q370 HydrophobicContact CG2-CG 4.29Å; I310-V371 HydrophobicContact CG2-CG2 4.4Å; I310-L374 HydrophobicContact CD1-CB 4.46Å; I310-L374 HydrophobicContact CD1-CD2 3.99Å
311	T	98.5	Very high	96.4	Very high	15 Å²	15	43.5 Å²	43.5	9%	0.092	22%	0.22	C	C	.	.	S	Bend	trans	-53.8	130.4	178.5	-60.3	0	0	0	0	111.9	Q251 L254 R259 L307 A308	Q251-T311 HydrophobicContact CG-CG2 4.46Å; L254-T311 HydrophobicContact CD1-CG2 4.46Å; R259-T311 HydrophobicContact CB-CG2 4.4Å; R259-T311 PolarHBondContact NE-O 2.88Å; L307-T311 PolarHBondContact O-N 3.3Å; L307-T311 PolarHBondContact O-OG1 3.24Å; A308-T311 WeakPolarHBondContact O-CB 3.41Å; A308-T311 PolarHBondContact O-N 2.91Å
312	V	97.4	Very high	96.3	Very high	40 Å²	40	49.6 Å²	49.6	24%	0.242	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-75.1	132.4	179	-175	0	0	0	0	109.8	Q251 I310 Q316 R317	Q251-V312 PolarHBondContact NE2-O 3.25Å; I310-V312 PolarHBondContact O-N 3.46Å; V312-Q316 HydrophobicContact CG1-CB 4.05Å; V312-R317 HydrophobicContact CB-CG 4.19Å; V312-R317 HydrophobicContact CG1-CG 3.8Å
313	P	94.8	Very high	96.2	Very high	28 Å²	28	45.8 Å²	45.8	18%	0.182	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-59.4	146.3	176.9	-24.9	35.2	0	0	0	113.8	D315 Q316 R317	P313-D315 VanDerWaalsContact C-N 3.34Å; P313-D315 WeakPolarHBondContact CB-OD1 3.43Å; P313-D315 PolarHBondContact O-N 3.39Å; P313-Q316 HydrophobicContact CB-CG 4.43Å; P313-Q316 PolarHBondContact O-N 3.47Å; P313-Q316 VanDerWaalsContact O-N 3.11Å; P313-R317 WeakPolarHBondContact O-CG 3.27Å
314	Q	90.8	Very high	96.2	Very high	111 Å²	111	46.2 Å²	46.2	52%	0.519	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-60.8	-39	-174.1	-170.9	65.4	11	0	0	113.2	Q316 R317	Q314-Q316 PolarHBondContact O-N 3.31Å; Q314-R317 PolarHBondContact O-N 2.96Å
315	D	90.9	Very high	96.2	Very high	51 Å²	51	49 Å²	49	27%	0.273	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-68.4	-18.5	179.4	65	-9.8	0	0	0	113.6	P313 N653 K655 Q656	P313-D315 VanDerWaalsContact C-N 3.34Å; P313-D315 WeakPolarHBondContact CB-OD1 3.43Å; P313-D315 PolarHBondContact O-N 3.39Å; D315-N653 PolarHBondContact OD2-ND2 3.04Å; D315-K655 HydrophobicContact CB-CB 4.4Å; D315-Q656 HydrophobicContact CB-CB 4.32Å
316	Q	94	Very high	96.2	Very high	128 Å²	128	52.6 Å²	52.6	60%	0.598	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-88.7	-6.2	173.8	-63.4	178.2	27.4	0	0	113.1	V312 P313 Q314	V312-Q316 HydrophobicContact CG1-CB 4.05Å; P313-Q316 HydrophobicContact CB-CG 4.43Å; P313-Q316 PolarHBondContact O-N 3.47Å; P313-Q316 VanDerWaalsContact O-N 3.11Å; Q314-Q316 PolarHBondContact O-N 3.31Å
317	R	94.9	Very high	96.2	Very high	23 Å²	23	50.5 Å²	50.5	9%	0.087	24%	0.244	C	C	.	.	S	Bend	trans	-105.1	15.9	-177.9	-60.8	176.9	64.2	70	6.3	113.1	D250 V312 P313 Q314 I323 Y363	D250-R317 IonicContact OD1-CZ 2.74Å; D250-R317 IonicContact OD1-NH1 3.54Å; D250-R317 IonicContact OD1-NH2 2.64Å; D250-R317 PolarHBondContact OD1-NH2 2.9Å; D250-R317 IonicContact OD2-CZ 2.61Å; D250-R317 IonicContact OD2-NH2 3.94Å; D250-R317 PolarHBondContact OD2-NH2 2.64Å; V312-R317 HydrophobicContact CB-CG 4.19Å; V312-R317 HydrophobicContact CG1-CG 3.8Å; P313-R317 WeakPolarHBondContact O-CG 3.27Å; Q314-R317 PolarHBondContact O-N 2.96Å; R317-I323 HydrophobicContact CB-CD1 4.46Å; R317-I323 WeakPolarHBondContact O-CD1 3.46Å; R317-Y363 PolarHBondContact NH1-O 3.21Å
318	R	94.2	Very high	96.2	Very high	24 Å²	24	52.4 Å²	52.4	9%	0.091	26%	0.256	C	S	.	.			trans	-87.9	-12.3	-177.5	-62.9	-169.3	63.8	75.9	15.3	114.6	D608 Q609 K655 Q656	R318-D608 IonicContact CZ-OD1 3.53Å; R318-D608 IonicContact CZ-OD2 2.71Å; R318-D608 IonicContact NE-OD1 2.75Å; R318-D608 IonicContact NE-OD2 3.34Å; R318-D608 PolarHBondContact NE-OD2 3.01Å; R318-D608 IonicContact NH2-OD1 3.54Å; R318-D608 PolarHBondContact NH2-OD1 3.04Å; R318-D608 IonicContact NH2-OD2 2.78Å; R318-D608 PolarHBondContact NH2-OD2 3.41Å; R318-Q609 WeakPolarHBondContact O-CG 3.44Å; R318-K655 VanDerWaalsContact CD-O 3.29Å; R318-K655 WeakPolarHBondContact CD-O 3.45Å; R318-Q656 PolarHBondContact NH1-O 2.87Å
319	D	95.6	Very high	96.2	Very high	27 Å²	27	52.6 Å²	52.6	14%	0.144	26%	0.257	C	S	.	.			trans	-100.2	97.5	179	-175.7	-39.7	0	0	0	108.5	E321 K322 I323	D319-E321 VanDerWaalsContact C-N 3.3Å; D319-E321 PolarHBondContact O-N 2.94Å; D319-E321 PolarHBondContact OD1-N 3.18Å; D319-K322 HydrophobicContact CB-CB 4.15Å; D319-K322 HydrophobicContact CB-CD 4.07Å; D319-K322 HydrophobicContact CB-CG 4.29Å; D319-K322 PolarHBondContact O-N 2.9Å; D319-K322 WeakPolarHBondContact OD1-CG 3.49Å; D319-K322 PolarHBondContact OD1-N 3.43Å; D319-K322 VanDerWaalsContact OD2-CD 3.29Å; D319-K322 WeakPolarHBondContact OD2-CD 3.33Å; D319-K322 WeakPolarHBondContact OD2-CE 3.31Å; D319-K322 IonicContact OD2-NZ 3.39Å; D319-K322 PolarHBondContact OD2-NZ 3.4Å; D319-I323 WeakPolarHBondContact O-CG1 3.49Å; D319-I323 PolarHBondContact O-N 3.37Å
320	E	94.6	Very high	96.2	Very high	23 Å²	23	49.3 Å²	49.3	11%	0.107	25%	0.245	C	C	.	.	H	α-helix	trans	-65	-38.2	-172.8	-170.5	81.4	176.8	0	0	110.6	K322 I323 Y324 Y363 E612 Y613 L619	E320-K322 PolarHBondContact O-N 3.45Å; E320-I323 PolarHBondContact O-N 3.23Å; E320-Y324 VanDerWaalsContact O-CB 3.24Å; E320-Y324 WeakPolarHBondContact O-CB 3.33Å; E320-Y324 PolarHBondContact O-N 3.4Å; E320-Y363 WeakPolarHBondContact OE1-CE1 3.43Å; E320-Y363 PolarHBondContact OE1-OH 2.71Å; E320-E612 PolarHBondContact N-OE2 2.91Å; E320-E612 VanDerWaalsContact N-OE2 3.15Å; E320-Y613 HydrophobicContact CB-CE2 4.49Å; E320-Y613 HydrophobicContact CG-CE2 4.46Å; E320-Y613 VanDerWaalsContact CG-OH 3.31Å; E320-Y613 WeakPolarHBondContact CG-OH 3.39Å; E320-Y613 PolarHBondContact OE1-OH 3.25Å; E320-L619 HydrophobicContact CB-CD1 4.07Å; E320-L619 HydrophobicContact CB-CD2 4.29Å; E320-L619 HydrophobicContact CG-CD1 4.19Å; E320-L619 HydrophobicContact CG-CD2 3.72Å
321	E	94.4	Very high	96.3	Very high	99 Å²	99	53.2 Å²	53.2	46%	0.463	26%	0.262	S	S	.	.	H	α-helix	trans	-57.8	-37.9	176.7	-173	173.1	-161.9	0	0	112.1	D319 E612	D319-E321 VanDerWaalsContact C-N 3.3Å; D319-E321 PolarHBondContact O-N 2.94Å; D319-E321 PolarHBondContact OD1-N 3.18Å; E321-E612 PolarHBondContact N-OE2 3.23Å
322	K	95.4	Very high	96.3	Very high	141 Å²	141	52.5 Å²	52.5	61%	0.613	26%	0.258	S	S	*	.	H	α-helix	trans	-73.9	-39.1	177.1	-77.4	-178.7	-171.7	132.2	0	114.1	D319 E320 H325	D319-K322 HydrophobicContact CB-CB 4.15Å; D319-K322 HydrophobicContact CB-CD 4.07Å; D319-K322 HydrophobicContact CB-CG 4.29Å; D319-K322 PolarHBondContact O-N 2.9Å; D319-K322 WeakPolarHBondContact OD1-CG 3.49Å; D319-K322 PolarHBondContact OD1-N 3.43Å; D319-K322 VanDerWaalsContact OD2-CD 3.29Å; D319-K322 WeakPolarHBondContact OD2-CD 3.33Å; D319-K322 WeakPolarHBondContact OD2-CE 3.31Å; D319-K322 IonicContact OD2-NZ 3.39Å; D319-K322 PolarHBondContact OD2-NZ 3.4Å; E320-K322 PolarHBondContact O-N 3.45Å; K322-H325 PolarHBondContact O-CE1 3.47Å; K322-H325 PolarHBondContact O-NE2 3.2Å
323	I	96.8	Very high	96.3	Very high	23 Å²	23	53.2 Å²	53.2	12%	0.118	26%	0.259	C	S	.	.	H	α-helix	trans	-88.7	-13	-174.9	65.1	169.6	0	0	0	113.1	R317 D319 E320 H325 Y363	R317-I323 HydrophobicContact CB-CD1 4.46Å; R317-I323 WeakPolarHBondContact O-CD1 3.46Å; D319-I323 WeakPolarHBondContact O-CG1 3.49Å; D319-I323 PolarHBondContact O-N 3.37Å; E320-I323 PolarHBondContact O-N 3.23Å; I323-H325 PolarHBondContact O-CD2 3.13Å; I323-H325 PolarHBondContact O-N 2.69Å; I323-Y363 HydrophobicContact CD1-CD1 3.92Å; I323-Y363 HydrophobicContact CG1-CD1 3.99Å; I323-Y363 WeakPolarHBondContact O-CA 3.1Å
324	Y	98.1	Very high	96.5	Very high	18 Å²	18	59 Å²	59	7%	0.071	29%	0.287	C	S	.	.			trans	-72.2	111.2	175.5	-179.7	-84	0	0	0	111.6	D238 P239 K240 E320 K326 V361 L619	D238-Y324 WeakPolarHBondContact OD1-CE2 3.44Å; D238-Y324 PolarHBondContact OD1-OH 3.16Å; D238-Y324 PolarHBondContact OD2-OH 3.22Å; P239-Y324 HydrophobicContact CB-CD2 3.91Å; P239-Y324 HydrophobicContact CB-CE2 3.96Å; P239-Y324 HydrophobicContact CG-CD2 3.92Å; P239-Y324 HydrophobicContact CG-CE2 3.99Å; K240-Y324 HydrophobicContact CB-CE1 4.44Å; K240-Y324 HydrophobicContact CB-CE2 4.49Å; K240-Y324 HydrophobicContact CD-CD1 3.88Å; K240-Y324 HydrophobicContact CD-CE1 3.46Å; K240-Y324 VanDerWaalsContact CD-CE1 3.46Å; K240-Y324 VanDerWaalsContact CE-CD1 3.47Å; K240-Y324 HydrophobicContact CG-CD1 4.2Å; K240-Y324 HydrophobicContact CG-CD2 4.49Å; K240-Y324 HydrophobicContact CG-CE1 3.74Å; K240-Y324 HydrophobicContact CG-CE2 4.03Å; E320-Y324 VanDerWaalsContact O-CB 3.24Å; E320-Y324 WeakPolarHBondContact O-CB 3.33Å; E320-Y324 PolarHBondContact O-N 3.4Å; Y324-K326 HydrophobicContact CE1-CB 3.81Å; Y324-V361 HydrophobicContact CD2-CG1 3.78Å; Y324-V361 HydrophobicContact CD2-CG2 4.39Å; Y324-V361 HydrophobicContact CE2-CB 4.47Å; Y324-V361 HydrophobicContact CE2-CG1 3.9Å; Y324-V361 HydrophobicContact CE2-CG2 3.66Å; Y324-V361 HydrophobicContact CG-CG1 4.49Å; Y324-L619 HydrophobicContact CD2-CD2 4.37Å; Y324-L619 HydrophobicContact CG-CD2 4.24Å
325	H	98.3	Very high	96.9	Very high	59 Å²	59	55 Å²	55	27%	0.273	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	100.5	173.9	-55.5	-56.1	0	0	0	111.8	K322 I323 V361 L362	K322-H325 PolarHBondContact O-CE1 3.47Å; K322-H325 PolarHBondContact O-NE2 3.2Å; I323-H325 PolarHBondContact O-CD2 3.13Å; I323-H325 PolarHBondContact O-N 2.69Å; H325-V361 WeakPolarHBondContact O-CA 3.5Å; H325-L362 HydrophobicContact CB-CB 4.36Å; H325-L362 WeakPolarHBondContact CB-O 3.43Å; H325-L362 PolarHBondContact N-O 3.27Å; H325-L362 VanDerWaalsContact N-O 3.14Å; H325-L362 PolarHBondContact O-N 2.9Å
326	K	98.5	Very high	97.3	Very high	100 Å²	100	52.7 Å²	52.7	44%	0.435	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.5	174.4	-165.3	174.4	-163	161.6	0	110.8	D238 Y324 P359 V360 V361	D238-K326 IonicContact OD2-NZ 3.26Å; D238-K326 PolarHBondContact OD2-NZ 3.18Å; Y324-K326 HydrophobicContact CE1-CB 3.81Å; K326-P359 VanDerWaalsContact CE-CB 3.43Å; K326-P359 HydrophobicContact CG-CB 4.48Å; K326-V360 WeakPolarHBondContact CA-O 3.38Å; K326-V361 HydrophobicContact CB-CG2 4.39Å; K326-V361 HydrophobicContact CG-CG2 4.33Å
327	V	98.8	Very high	97.5	Very high	26 Å²	26	50.3 Å²	50.3	16%	0.158	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	171.7	178.1	-58.1	0	0	0	0	109.9	E331 L332 P359 V360 L362	V327-E331 WeakPolarHBondContact CA-OE2 3.39Å; V327-E331 HydrophobicContact CB-CB 3.97Å; V327-L332 HydrophobicContact CG2-CB 4.22Å; V327-P359 CarbonylContact O-C 3.54Å; V327-P359 WeakPolarHBondContact O-CA 3.36Å; V327-V360 HydrophobicContact CG2-CB 4.43Å; V327-V360 PolarHBondContact N-O 3.44Å; V327-V360 PolarHBondContact O-N 3.29Å; V327-V360 VanDerWaalsContact O-O 3.14Å; V327-L362 HydrophobicContact CG1-CD1 4.34Å; V327-L362 HydrophobicContact CG2-CD1 3.75Å; V327-L362 HydrophobicContact CG2-CD2 4.3Å; V327-L362 HydrophobicContact CG2-CG 3.84Å
328	T	98.9	Very high	97.6	Very high	40 Å²	40	50.1 Å²	50.1	25%	0.245	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	161.3	166.9	57	0	0	0	0	111.3	A330 E331 L332 E358	T328-A330 PolarHBondContact O-N 3.42Å; T328-E331 PolarHBondContact N-OE2 3.18Å; T328-E331 PolarHBondContact O-N 3.19Å; T328-E331 VanDerWaalsContact O-N 3.12Å; T328-E331 VanDerWaalsContact OG1-CG 3.29Å; T328-E331 WeakPolarHBondContact OG1-CG 3.48Å; T328-E331 PolarHBondContact OG1-N 3.24Å; T328-E331 PolarHBondContact OG1-OE2 3.1Å; T328-L332 PolarHBondContact O-N 3.5Å; T328-E358 CarbonylContact C-O 3.58Å; T328-E358 WeakPolarHBondContact CA-O 3.23Å
329	I	98.8	Very high	97.8	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-55.1	-39.1	170.7	-69.4	-178.8	0	0	0	111.1	E331 L332 Q333 W341 L342 L345 D356 E358 V360	I329-E331 PolarHBondContact O-N 2.85Å; I329-L332 PolarHBondContact O-N 2.87Å; I329-Q333 WeakPolarHBondContact O-CB 3.43Å; I329-Q333 PolarHBondContact O-N 2.91Å; I329-W341 HydrophobicContact CG2-CB 4.2Å; I329-L342 HydrophobicContact CD1-CD1 4.15Å; I329-L342 HydrophobicContact CG2-CB 3.95Å; I329-L342 HydrophobicContact CG2-CD1 4.4Å; I329-L345 HydrophobicContact CD1-CB 4.46Å; I329-L345 HydrophobicContact CD1-CD1 3.59Å; I329-L345 HydrophobicContact CG1-CD1 3.78Å; I329-D356 PolarHBondContact N-O 2.92Å; I329-E358 HydrophobicContact CD1-CB 3.64Å; I329-E358 HydrophobicContact CD1-CG 4.13Å; I329-E358 HydrophobicContact CG1-CB 3.98Å; I329-E358 PolarHBondContact N-O 3.47Å; I329-V360 HydrophobicContact CG1-CG2 3.71Å
330	A	98.9	Very high	98	Very high	38 Å²	38	51.6 Å²	51.6	31%	0.314	27%	0.266	S	S	.	.	H	α-helix	trans	-59.5	-43.5	175.8	0	0	0	0	0	112.8	T328 Q333 L334 D356	T328-A330 PolarHBondContact O-N 3.42Å; A330-Q333 WeakPolarHBondContact O-CB 3.26Å; A330-Q333 PolarHBondContact O-N 3.11Å; A330-L334 WeakPolarHBondContact O-CG 3.4Å; A330-L334 PolarHBondContact O-N 3.45Å; A330-D356 HydrophobicContact CB-CB 4.19Å; A330-D356 WeakPolarHBondContact CB-O 3.41Å; A330-D356 PolarHBondContact N-O 3Å
331	E	98.8	Very high	98.2	Very high	101 Å²	101	50.6 Å²	50.6	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-69.8	-37.4	177.3	-73.1	165.7	143.1	0	0	112	V327 T328 I329 Q333 L334 L335	V327-E331 WeakPolarHBondContact CA-OE2 3.39Å; V327-E331 HydrophobicContact CB-CB 3.97Å; T328-E331 PolarHBondContact N-OE2 3.18Å; T328-E331 PolarHBondContact O-N 3.19Å; T328-E331 VanDerWaalsContact O-N 3.12Å; T328-E331 VanDerWaalsContact OG1-CG 3.29Å; T328-E331 WeakPolarHBondContact OG1-CG 3.48Å; T328-E331 PolarHBondContact OG1-N 3.24Å; T328-E331 PolarHBondContact OG1-OE2 3.1Å; I329-E331 PolarHBondContact O-N 2.85Å; E331-Q333 VanDerWaalsContact C-N 3.31Å; E331-Q333 PolarHBondContact O-N 2.94Å; E331-L334 PolarHBondContact O-N 2.95Å; E331-L335 PolarHBondContact O-N 3.38Å
332	L	98.8	Very high	98.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-40.7	172.4	176.8	56.5	0	0	0	111.3	V249 V327 T328 I329 L334 L335 A336 W341 V360 L362 L368	V249-L332 HydrophobicContact CG2-CD2 4.42Å; V327-L332 HydrophobicContact CG2-CB 4.22Å; T328-L332 PolarHBondContact O-N 3.5Å; I329-L332 PolarHBondContact O-N 2.87Å; L332-L334 VanDerWaalsContact C-N 3.29Å; L332-L334 PolarHBondContact O-N 3Å; L332-L335 HydrophobicContact CD1-CD2 4.49Å; L332-L335 PolarHBondContact O-N 3.11Å; L332-L335 VanDerWaalsContact O-N 3.15Å; L332-A336 PolarHBondContact O-N 2.55Å; L332-W341 HydrophobicContact CD1-CD2 4.27Å; L332-W341 HydrophobicContact CD1-CZ2 4.03Å; L332-W341 HydrophobicContact CD2-CB 4.37Å; L332-W341 HydrophobicContact CD2-CD2 3.51Å; L332-W341 HydrophobicContact CD2-CE3 3.52Å; L332-W341 HydrophobicContact CD2-CG 3.91Å; L332-W341 HydrophobicContact CD2-CH2 4.47Å; L332-W341 HydrophobicContact CD2-CZ2 4.47Å; L332-W341 HydrophobicContact CD2-CZ3 4.02Å; L332-W341 HydrophobicContact CG-CB 4.48Å; L332-W341 HydrophobicContact CG-CD2 3.63Å; L332-W341 HydrophobicContact CG-CE3 4.16Å; L332-W341 HydrophobicContact CG-CG 3.78Å; L332-W341 HydrophobicContact CG-CZ2 4.31Å; L332-V360 HydrophobicContact CD2-CG1 4.26Å; L332-L362 HydrophobicContact CD1-CD1 4.01Å; L332-L362 HydrophobicContact CD1-CD2 3.87Å; L332-L362 HydrophobicContact CD2-CD2 4.2Å; L332-L368 HydrophobicContact CD1-CD1 4.24Å
333	Q	98.8	Very high	98.5	Very high	54 Å²	54	44.8 Å²	44.8	25%	0.252	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-37.6	175.5	-171.4	62.2	61.6	0	0	112.6	I329 A330 E331 P337 V339	I329-Q333 WeakPolarHBondContact O-CB 3.43Å; I329-Q333 PolarHBondContact O-N 2.91Å; A330-Q333 WeakPolarHBondContact O-CB 3.26Å; A330-Q333 PolarHBondContact O-N 3.11Å; E331-Q333 VanDerWaalsContact C-N 3.31Å; E331-Q333 PolarHBondContact O-N 2.94Å; Q333-P337 WeakPolarHBondContact O-CA 3.44Å; Q333-V339 PolarHBondContact NE2-O 3.11Å; Q333-V339 PolarHBondContact OE1-O 3.47Å
334	L	98.6	Very high	98.6	Very high	150 Å²	150	43.8 Å²	43.8	79%	0.785	23%	0.234	S	C	*	.	H	α-helix	trans	-71.8	-35.5	175.1	-67.2	174.1	0	0	0	112.4	A330 E331 L332	A330-L334 WeakPolarHBondContact O-CG 3.4Å; A330-L334 PolarHBondContact O-N 3.45Å; E331-L334 PolarHBondContact O-N 2.95Å; L332-L334 VanDerWaalsContact C-N 3.29Å; L332-L334 PolarHBondContact O-N 3Å
335	L	98.6	Very high	98.6	Very high	28 Å²	28	43 Å²	43	15%	0.147	23%	0.231	C	C	.	.	H	α-helix	trans	-70.8	-43.8	-179.6	-179.4	71.8	0	0	0	112.5	E331 L332 L362 R365 Q369	E331-L335 PolarHBondContact O-N 3.38Å; L332-L335 HydrophobicContact CD1-CD2 4.49Å; L332-L335 PolarHBondContact O-N 3.11Å; L332-L335 VanDerWaalsContact O-N 3.15Å; L335-L362 HydrophobicContact CD2-CD1 3.63Å; L335-R365 HydrophobicContact CD1-CG 4.05Å; L335-R365 HydrophobicContact CD2-CG 3.59Å; L335-R365 HydrophobicContact CG-CG 4.47Å; L335-Q369 HydrophobicContact CD1-CB 4.31Å
336	A	98.6	Very high	98.5	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.017	23%	0.233	C	C	.	.			trans	-133	71	-171.7	0	0	0	0	0	111.2	L332 A338 W341 L368 S372	L332-A336 PolarHBondContact O-N 2.55Å; A336-A338 VanDerWaalsContact C-N 3.26Å; A336-A338 PolarHBondContact O-N 2.64Å; A336-A338 VanDerWaalsContact O-N 3.14Å; A336-W341 HydrophobicContact CB-CZ2 3.98Å; A336-W341 PolarHBondContact O-NE1 3.29Å; A336-L368 HydrophobicContact CB-CB 4.36Å; A336-S372 VanDerWaalsContact C-OG 3.28Å
337	P	98.4	Very high	98.5	Very high	78 Å²	78	41.5 Å²	41.5	51%	0.506	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.3	-167.1	29.8	-38.1	0	0	0	116.2	Q333 V339 S372	Q333-P337 WeakPolarHBondContact O-CA 3.44Å; P337-V339 PolarHBondContact O-N 2.81Å; P337-S372 VanDerWaalsContact CD-OG 3.3Å; P337-S372 WeakPolarHBondContact CD-OG 3.46Å
338	A	98.3	Very high	98.3	Very high	18 Å²	18	41 Å²	41	15%	0.149	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18	-179.1	0	0	0	0	0	114.1	A336 S372 I375 N376	A336-A338 VanDerWaalsContact C-N 3.26Å; A336-A338 PolarHBondContact O-N 2.64Å; A336-A338 VanDerWaalsContact O-N 3.14Å; A338-S372 WeakPolarHBondContact CB-O 3.28Å; A338-S372 WeakPolarHBondContact CB-OG 3.06Å; A338-S372 PolarHBondContact N-OG 3.28Å; A338-I375 HydrophobicContact CB-CB 3.91Å; A338-I375 HydrophobicContact CB-CD1 4.39Å; A338-I375 HydrophobicContact CB-CG2 3.82Å; A338-N376 WeakPolarHBondContact CB-OD1 3.21Å
339	V	98.3	Very high	98.2	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	22%	0.215	C	C	.	.	S	Bend	trans	-116.2	138.2	177.4	177.8	0	0	0	0	108.1	F214 M215 L218 F231 Q333 P337 W341 F344	F214-V339 HydrophobicContact CE1-CG2 4.4Å; M215-V339 HydrophobicContact CE-CG1 4.03Å; M215-V339 HydrophobicContact SD-CG1 4.06Å; L218-V339 HydrophobicContact CD2-CG1 4.14Å; L218-V339 HydrophobicContact CD2-CG2 3.92Å; F231-V339 HydrophobicContact CE1-CG2 3.89Å; F231-V339 HydrophobicContact CZ-CG1 4.34Å; F231-V339 HydrophobicContact CZ-CG2 3.96Å; Q333-V339 PolarHBondContact NE2-O 3.11Å; Q333-V339 PolarHBondContact OE1-O 3.47Å; P337-V339 PolarHBondContact O-N 2.81Å; V339-W341 HydrophobicContact CB-CD2 4.41Å; V339-W341 HydrophobicContact CB-CZ2 4.42Å; V339-W341 HydrophobicContact CG1-CD2 4.3Å; V339-W341 VanDerWaalsContact O-CD1 3.24Å; V339-W341 PolarHBondContact O-N 3.4Å; V339-F344 HydrophobicContact CG1-CB 3.99Å; V339-F344 HydrophobicContact CG1-CG 4.29Å
340	D	98.4	Very high	97.9	Very high	79 Å²	79	41.6 Å²	41.6	42%	0.422	24%	0.235	S	C	.	.			trans	-77.1	95.4	163.9	-172.8	-29.1	0	0	0	108.1	M215 L342 D343 F344	M215-D340 HydrophobicContact CE-CB 3.92Å; D340-L342 PolarHBondContact OD1-N 3Å; D340-D343 HydrophobicContact CB-CB 4.09Å; D340-D343 WeakPolarHBondContact OD1-CB 3.45Å; D340-D343 PolarHBondContact OD1-N 3.19Å; D340-D343 VanDerWaalsContact OD1-N 3.13Å; D340-F344 WeakPolarHBondContact O-CB 3.25Å; D340-F344 PolarHBondContact O-N 3.14Å
341	W	98.8	Very high	97.7	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.011	26%	0.26	C	S	.	.	H	α-helix	trans	-69.4	-35.4	-170.5	-72.6	95	0	0	0	112.7	F231 V249 I329 L332 A336 V339 L345 L368	F231-W341 AromaticContact CD1-CH2 3.98Å; F231-W341 HydrophobicContact CD1-CH2 3.98Å; F231-W341 AromaticContact CD2-CH2 3.89Å; F231-W341 HydrophobicContact CD2-CH2 3.89Å; F231-W341 HydrophobicContact CD2-CZ3 4.01Å; F231-W341 AromaticContact CE1-CH2 3.85Å; F231-W341 HydrophobicContact CE1-CH2 3.85Å; F231-W341 HydrophobicContact CE1-CZ2 4.37Å; F231-W341 AromaticContact CE2-CH2 3.74Å; F231-W341 HydrophobicContact CE2-CH2 3.74Å; F231-W341 AromaticContact CE2-CZ3 3.66Å; F231-W341 HydrophobicContact CE2-CZ3 3.66Å; F231-W341 HydrophobicContact CG-CH2 4.01Å; F231-W341 AromaticContact CZ-CH2 3.72Å; F231-W341 HydrophobicContact CZ-CH2 3.72Å; F231-W341 HydrophobicContact CZ-CZ2 4.46Å; F231-W341 AromaticContact CZ-CZ3 3.95Å; F231-W341 HydrophobicContact CZ-CZ3 3.95Å; V249-W341 HydrophobicContact CG1-CH2 4.05Å; V249-W341 HydrophobicContact CG1-CZ3 4.1Å; V249-W341 HydrophobicContact CG2-CZ3 4.39Å; I329-W341 HydrophobicContact CG2-CB 4.2Å; L332-W341 HydrophobicContact CD1-CD2 4.27Å; L332-W341 HydrophobicContact CD1-CZ2 4.03Å; L332-W341 HydrophobicContact CD2-CB 4.37Å; L332-W341 HydrophobicContact CD2-CD2 3.51Å; L332-W341 HydrophobicContact CD2-CE3 3.52Å; L332-W341 HydrophobicContact CD2-CG 3.91Å; L332-W341 HydrophobicContact CD2-CH2 4.47Å; L332-W341 HydrophobicContact CD2-CZ2 4.47Å; L332-W341 HydrophobicContact CD2-CZ3 4.02Å; L332-W341 HydrophobicContact CG-CB 4.48Å; L332-W341 HydrophobicContact CG-CD2 3.63Å; L332-W341 HydrophobicContact CG-CE3 4.16Å; L332-W341 HydrophobicContact CG-CG 3.78Å; L332-W341 HydrophobicContact CG-CZ2 4.31Å; A336-W341 HydrophobicContact CB-CZ2 3.98Å; A336-W341 PolarHBondContact O-NE1 3.29Å; V339-W341 HydrophobicContact CB-CD2 4.41Å; V339-W341 HydrophobicContact CB-CZ2 4.42Å; V339-W341 HydrophobicContact CG1-CD2 4.3Å; V339-W341 VanDerWaalsContact O-CD1 3.24Å; V339-W341 PolarHBondContact O-N 3.4Å; W341-L345 VanDerWaalsContact O-CB 3.24Å; W341-L345 WeakPolarHBondContact O-CB 3.18Å; W341-L345 WeakPolarHBondContact O-CG 3Å; W341-L345 PolarHBondContact O-N 2.69Å; W341-L368 HydrophobicContact CH2-CD2 4.36Å
342	L	98.6	Very high	97.4	Very high	58 Å²	58	42.7 Å²	42.7	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-67.9	-46.2	178.7	-179.1	58.9	0	0	0	110.3	I329 D340 T346 L354	I329-L342 HydrophobicContact CD1-CD1 4.15Å; I329-L342 HydrophobicContact CG2-CB 3.95Å; I329-L342 HydrophobicContact CG2-CD1 4.4Å; D340-L342 PolarHBondContact OD1-N 3Å; L342-T346 WeakPolarHBondContact O-CB 3.17Å; L342-T346 PolarHBondContact O-N 2.6Å; L342-T346 PolarHBondContact O-OG1 3.48Å; L342-L354 HydrophobicContact CD1-CB 4.24Å
343	D	98.3	Very high	97.1	Very high	60 Å²	60	50 Å²	50	32%	0.321	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-46.5	174.9	175.1	58.6	0	0	0	111.5	K219 D340 F347	K219-D343 WeakPolarHBondContact CD-OD2 3.44Å; K219-D343 WeakPolarHBondContact CE-OD2 3.39Å; K219-D343 IonicContact NZ-OD1 3.49Å; K219-D343 PolarHBondContact NZ-OD1 2.95Å; K219-D343 IonicContact NZ-OD2 2.98Å; K219-D343 PolarHBondContact NZ-OD2 2.95Å; D340-D343 HydrophobicContact CB-CB 4.09Å; D340-D343 WeakPolarHBondContact OD1-CB 3.45Å; D340-D343 PolarHBondContact OD1-N 3.19Å; D340-D343 VanDerWaalsContact OD1-N 3.13Å; D343-F347 WeakPolarHBondContact O-CB 3.44Å; D343-F347 PolarHBondContact O-N 3.07Å
344	F	98.5	Very high	97.1	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-47.6	179.8	178.2	-95.4	0	0	0	112.9	M215 L218 K219 F231 V233 V339 D340 F347 S348	M215-F344 HydrophobicContact CE-CB 4.08Å; L218-F344 HydrophobicContact CD1-CE2 4.37Å; L218-F344 HydrophobicContact CD2-CD2 4.21Å; L218-F344 HydrophobicContact CD2-CE2 4.32Å; L218-F344 HydrophobicContact CG-CD2 4.05Å; L218-F344 HydrophobicContact CG-CE2 3.79Å; K219-F344 HydrophobicContact CG-CD2 3.87Å; F231-F344 HydrophobicContact CE2-CD1 4.38Å; F231-F344 AromaticContact CE2-CE1 3.8Å; F231-F344 HydrophobicContact CE2-CE1 3.8Å; F231-F344 AromaticContact CE2-CZ 3.94Å; F231-F344 HydrophobicContact CE2-CZ 3.94Å; V233-F344 HydrophobicContact CG2-CE1 3.76Å; V339-F344 HydrophobicContact CG1-CB 3.99Å; V339-F344 HydrophobicContact CG1-CG 4.29Å; D340-F344 WeakPolarHBondContact O-CB 3.25Å; D340-F344 PolarHBondContact O-N 3.14Å; F344-F347 PolarHBondContact O-N 3.36Å; F344-S348 WeakPolarHBondContact O-CB 3.42Å; F344-S348 PolarHBondContact O-N 2.9Å; F344-S348 PolarHBondContact O-OG 3.22Å
345	L	98.4	Very high	97	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.5	-39.6	-178.8	-69.5	172.6	0	0	0	111.5	V233 I247 I329 W341 F347 S348 L349 L354 V360	V233-L345 HydrophobicContact CG1-CD2 3.72Å; V233-L345 HydrophobicContact CG2-CD2 4.31Å; I247-L345 HydrophobicContact CD1-CD1 4.5Å; I247-L345 HydrophobicContact CG2-CD2 4Å; I329-L345 HydrophobicContact CD1-CB 4.46Å; I329-L345 HydrophobicContact CD1-CD1 3.59Å; I329-L345 HydrophobicContact CG1-CD1 3.78Å; W341-L345 VanDerWaalsContact O-CB 3.24Å; W341-L345 WeakPolarHBondContact O-CB 3.18Å; W341-L345 WeakPolarHBondContact O-CG 3Å; W341-L345 PolarHBondContact O-N 2.69Å; L345-F347 VanDerWaalsContact C-N 3.3Å; L345-F347 PolarHBondContact O-N 3.49Å; L345-S348 PolarHBondContact O-N 3.3Å; L345-L349 WeakPolarHBondContact O-CB 3.38Å; L345-L349 PolarHBondContact O-N 3.22Å; L345-L354 HydrophobicContact CB-CD1 3.81Å; L345-V360 HydrophobicContact CD1-CG2 4.31Å
346	T	97.4	Very high	97	Very high	52 Å²	52	47.8 Å²	47.8	32%	0.319	28%	0.276	S	S	.	.	H	α-helix	trans	-61	-41.1	175.9	-58.3	0	0	0	0	111	L342 A350	L342-T346 WeakPolarHBondContact O-CB 3.17Å; L342-T346 PolarHBondContact O-N 2.6Å; L342-T346 PolarHBondContact O-OG1 3.48Å; T346-A350 PolarHBondContact O-N 2.95Å
347	F	97	Very high	97	Very high	76 Å²	76	52.1 Å²	52.1	33%	0.333	30%	0.302	S	S	.	.	H	α-helix	trans	-66.9	-48.2	174.5	179.4	-88.9	0	0	0	112.3	K219 M220 P224 D343 F344 L345 L349 A350	K219-F347 HydrophobicContact CB-CD1 3.55Å; K219-F347 HydrophobicContact CB-CE1 3.72Å; K219-F347 HydrophobicContact CB-CG 3.99Å; K219-F347 HydrophobicContact CB-CZ 4.29Å; K219-F347 HydrophobicContact CD-CB 3.66Å; K219-F347 HydrophobicContact CD-CD1 4.18Å; K219-F347 HydrophobicContact CD-CD2 4.2Å; K219-F347 HydrophobicContact CD-CG 3.75Å; K219-F347 HydrophobicContact CG-CB 4.13Å; K219-F347 HydrophobicContact CG-CD1 3.93Å; K219-F347 HydrophobicContact CG-CG 4.03Å; K219-F347 VanDerWaalsContact O-CE1 3.24Å; K219-F347 WeakPolarHBondContact O-CE1 3.48Å; M220-F347 HydrophobicContact SD-CZ 3.85Å; P224-F347 HydrophobicContact CG-CE1 4.42Å; P224-F347 HydrophobicContact CG-CZ 4.45Å; D343-F347 WeakPolarHBondContact O-CB 3.44Å; D343-F347 PolarHBondContact O-N 3.07Å; F344-F347 PolarHBondContact O-N 3.36Å; L345-F347 VanDerWaalsContact C-N 3.3Å; L345-F347 PolarHBondContact O-N 3.49Å; F347-L349 VanDerWaalsContact C-N 3.28Å; F347-L349 PolarHBondContact O-N 3.07Å; F347-A350 PolarHBondContact O-N 3.11Å
348	S	95.1	Very high	97	Very high	17 Å²	17	49.1 Å²	49.1	12%	0.119	28%	0.281	C	S	.	.	H	α-helix	trans	-69.6	-26.7	-173.5	-58.4	0	0	0	0	113.1	F344 L345	F344-S348 WeakPolarHBondContact O-CB 3.42Å; F344-S348 PolarHBondContact O-N 2.9Å; F344-S348 PolarHBondContact O-OG 3.22Å; L345-S348 PolarHBondContact O-N 3.3Å
349	L	96	Very high	97	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	19.2	-177.8	-58.1	176.1	0	0	0	112.7	V235 I247 L345 F347 L352 L354 M538 A539 L542	V235-L349 HydrophobicContact CG2-CD1 4.36Å; V235-L349 HydrophobicContact CG2-CD2 3.81Å; I247-L349 HydrophobicContact CD1-CD1 3.55Å; I247-L349 HydrophobicContact CG1-CD1 3.75Å; I247-L349 HydrophobicContact CG2-CD1 4.45Å; L345-L349 WeakPolarHBondContact O-CB 3.38Å; L345-L349 PolarHBondContact O-N 3.22Å; F347-L349 VanDerWaalsContact C-N 3.28Å; F347-L349 PolarHBondContact O-N 3.07Å; L349-L352 HydrophobicContact CB-CD1 4.33Å; L349-L352 VanDerWaalsContact O-CB 3.29Å; L349-L352 WeakPolarHBondContact O-CB 3.49Å; L349-L352 WeakPolarHBondContact O-CG 3.46Å; L349-L352 PolarHBondContact O-N 3.34Å; L349-L354 HydrophobicContact CB-CD1 4.42Å; L349-L354 HydrophobicContact CD1-CD1 4.1Å; L349-M538 HydrophobicContact CD2-SD 3.85Å; L349-A539 HydrophobicContact CB-CB 4.34Å; L349-A539 HydrophobicContact CD2-CB 3.98Å; L349-L542 HydrophobicContact CD1-CD2 4.43Å
350	A	93.4	Very high	97	Very high	53 Å²	53	50.2 Å²	50.2	44%	0.438	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	141.9	175.7	0	0	0	0	0	111.4	T346 F347	T346-A350 PolarHBondContact O-N 2.95Å; F347-A350 PolarHBondContact O-N 3.11Å
351	P	93.8	Very high	97	Very high	127 Å²	127	46.5 Å²	46.5	83%	0.825	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95.2	25.8	10.4	39.4	-37.6	0	0	0	114.4
352	L	93.8	Very high	97	Very high	35 Å²	35	46.3 Å²	46.3	18%	0.183	27%	0.267	C	S	.	.			trans	-70.6	134	-177.5	-62.6	167.5	0	0	0	111.9	L349 L354 A539 L542 R543	L349-L352 HydrophobicContact CB-CD1 4.33Å; L349-L352 VanDerWaalsContact O-CB 3.29Å; L349-L352 WeakPolarHBondContact O-CB 3.49Å; L349-L352 WeakPolarHBondContact O-CG 3.46Å; L349-L352 PolarHBondContact O-N 3.34Å; L352-L354 HydrophobicContact CB-CD2 4.29Å; L352-L354 PolarHBondContact O-N 3.44Å; L352-A539 VanDerWaalsContact CD1-O 3.25Å; L352-A539 WeakPolarHBondContact CD1-O 3.44Å; L352-L542 HydrophobicContact CD1-CB 3.73Å; L352-L542 HydrophobicContact CD1-CD2 3.83Å; L352-L542 HydrophobicContact CD1-CG 4.37Å; L352-R543 HydrophobicContact CD2-CG 4.04Å
353	D	92.8	Very high	97	Very high	155 Å²	155	44.9 Å²	44.9	83%	0.829	26%	0.257	S	S	*	.			trans	-79.5	110.9	171.4	-69.4	-36.6	0	0	0	109.6
354	L	97.5	Very high	97	Very high	21 Å²	21	42.2 Å²	42.2	11%	0.11	24%	0.244	C	C	.	.			trans	-107.1	153.2	175.9	-54.3	-175.7	0	0	0	110.6	I247 L342 L345 L349 L352 E358 L542	I247-L354 HydrophobicContact CD1-CD1 4.12Å; L342-L354 HydrophobicContact CD1-CB 4.24Å; L345-L354 HydrophobicContact CB-CD1 3.81Å; L349-L354 HydrophobicContact CB-CD1 4.42Å; L349-L354 HydrophobicContact CD1-CD1 4.1Å; L352-L354 HydrophobicContact CB-CD2 4.29Å; L352-L354 PolarHBondContact O-N 3.44Å; L354-E358 HydrophobicContact CD2-CG 4.14Å; L354-L542 HydrophobicContact CD2-CD2 4.05Å
355	N	97.6	Very high	96.9	Very high	75 Å²	75	47.6 Å²	47.6	40%	0.401	26%	0.264	S	S	.	.			trans	-134.2	174	172.1	65.5	54.7	0	0	0	110.3	T357 E358	N355-T357 PolarHBondContact O-N 3.23Å; N355-T357 WeakPolarHBondContact OD1-CA 3.33Å; N355-T357 WeakPolarHBondContact OD1-CB 3.44Å; N355-T357 PolarHBondContact OD1-N 2.84Å; N355-T357 PolarHBondContact OD1-OG1 3.42Å; N355-E358 WeakPolarHBondContact O-CB 3.49Å; N355-E358 PolarHBondContact O-N 3.21Å; N355-E358 VanDerWaalsContact O-N 3.1Å; N355-E358 PolarHBondContact OD1-N 3.45Å
356	D	97.8	Very high	96.9	Very high	89 Å²	89	52.7 Å²	52.7	48%	0.476	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.8	-175.8	64.7	-17.1	0	0	0	114.5	I329 A330	I329-D356 PolarHBondContact N-O 2.92Å; A330-D356 HydrophobicContact CB-CB 4.19Å; A330-D356 WeakPolarHBondContact CB-O 3.41Å; A330-D356 PolarHBondContact N-O 3Å
357	T	98.4	Very high	97	Very high	93 Å²	93	50.2 Å²	50.2	57%	0.571	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-4	175	72.5	0	0	0	0	114.1	N355	N355-T357 PolarHBondContact O-N 3.23Å; N355-T357 WeakPolarHBondContact OD1-CA 3.33Å; N355-T357 WeakPolarHBondContact OD1-CB 3.44Å; N355-T357 PolarHBondContact OD1-N 2.84Å; N355-T357 PolarHBondContact OD1-OG1 3.42Å
358	E	98.6	Very high	97.1	Very high	14 Å²	14	46.7 Å²	46.7	7%	0.065	26%	0.257	C	S	.	.			trans	-57.7	131.4	-179.9	-175.4	67.2	-150.9	0	0	111.3	I247 T328 I329 L354 N355 R543	I247-E358 HydrophobicContact CD1-CG 3.87Å; T328-E358 CarbonylContact C-O 3.58Å; T328-E358 WeakPolarHBondContact CA-O 3.23Å; I329-E358 HydrophobicContact CD1-CB 3.64Å; I329-E358 HydrophobicContact CD1-CG 4.13Å; I329-E358 HydrophobicContact CG1-CB 3.98Å; I329-E358 PolarHBondContact N-O 3.47Å; L354-E358 HydrophobicContact CD2-CG 4.14Å; N355-E358 WeakPolarHBondContact O-CB 3.49Å; N355-E358 PolarHBondContact O-N 3.21Å; N355-E358 VanDerWaalsContact O-N 3.1Å; N355-E358 PolarHBondContact OD1-N 3.45Å; E358-R543 IonicContact OE1-CZ 3.31Å; E358-R543 VanDerWaalsContact OE1-CZ 3.31Å; E358-R543 IonicContact OE1-NH1 2.67Å; E358-R543 PolarHBondContact OE1-NH1 3.49Å; E358-R543 IonicContact OE1-NH2 3.05Å; E358-R543 PolarHBondContact OE1-NH2 3.38Å; E358-R543 IonicContact OE2-CZ 3.63Å; E358-R543 IonicContact OE2-NH1 3.72Å; E358-R543 IonicContact OE2-NH2 2.71Å; E358-R543 PolarHBondContact OE2-NH2 3.43Å
359	P	98.6	Very high	97.2	Very high	45 Å²	45	50 Å²	50	29%	0.292	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	136.9	179	28.4	-35	0	0	0	112.9	V246 K326 V327	V246-P359 HydrophobicContact CG2-CB 4.31Å; V246-P359 HydrophobicContact CG2-CG 4.49Å; V246-P359 WeakPolarHBondContact CG2-O 3.34Å; K326-P359 VanDerWaalsContact CE-CB 3.43Å; K326-P359 HydrophobicContact CG-CB 4.48Å; V327-P359 CarbonylContact O-C 3.54Å; V327-P359 WeakPolarHBondContact O-CA 3.36Å
360	V	98.8	Very high	97.4	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.8	175.8	-173.5	0	0	0	0	109	I247 V249 K326 V327 I329 L332 L345 L362	I247-V360 HydrophobicContact CB-CG1 4.34Å; I247-V360 HydrophobicContact CB-CG2 4.26Å; I247-V360 HydrophobicContact CG2-CG1 4.09Å; I247-V360 HydrophobicContact CG2-CG2 4.4Å; I247-V360 CarbonylContact O-C 3.48Å; I247-V360 WeakPolarHBondContact O-CA 3.34Å; V249-V360 HydrophobicContact CB-CG1 4.46Å; V249-V360 HydrophobicContact CG2-CG1 3.61Å; K326-V360 WeakPolarHBondContact CA-O 3.38Å; V327-V360 HydrophobicContact CG2-CB 4.43Å; V327-V360 PolarHBondContact N-O 3.44Å; V327-V360 PolarHBondContact O-N 3.29Å; V327-V360 VanDerWaalsContact O-O 3.14Å; I329-V360 HydrophobicContact CG1-CG2 3.71Å; L332-V360 HydrophobicContact CD2-CG1 4.26Å; L345-V360 HydrophobicContact CD1-CG2 4.31Å; V360-L362 HydrophobicContact CG1-CD2 3.81Å
361	V	98.8	Very high	97.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.2	170.9	174.3	0	0	0	0	109	V246 I247 Q248 V249 Y324 H325 K326 Y363	V246-V361 HydrophobicContact CG1-CB 4.35Å; V246-V361 HydrophobicContact CG1-CG2 3.73Å; V246-V361 HydrophobicContact CG2-CG2 4.01Å; I247-V361 PolarHBondContact O-N 2.94Å; Q248-V361 WeakPolarHBondContact CA-O 3.47Å; Q248-V361 HydrophobicContact CG-CB 4.2Å; V249-V361 PolarHBondContact N-O 2.82Å; Y324-V361 HydrophobicContact CD2-CG1 3.78Å; Y324-V361 HydrophobicContact CD2-CG2 4.39Å; Y324-V361 HydrophobicContact CE2-CB 4.47Å; Y324-V361 HydrophobicContact CE2-CG1 3.9Å; Y324-V361 HydrophobicContact CE2-CG2 3.66Å; Y324-V361 HydrophobicContact CG-CG1 4.49Å; H325-V361 WeakPolarHBondContact O-CA 3.5Å; K326-V361 HydrophobicContact CB-CG2 4.39Å; K326-V361 HydrophobicContact CG-CG2 4.33Å; V361-Y363 HydrophobicContact CG1-CE1 4.2Å; V361-Y363 HydrophobicContact CG1-CE2 4.2Å
362	L	98.7	Very high	97.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.9	175.1	-46.7	-179.2	0	0	0	109.2	V249 H325 V327 L332 L335 V360 L368	V249-L362 HydrophobicContact CB-CD2 3.85Å; V249-L362 HydrophobicContact CG2-CD2 4.25Å; H325-L362 HydrophobicContact CB-CB 4.36Å; H325-L362 WeakPolarHBondContact CB-O 3.43Å; H325-L362 PolarHBondContact N-O 3.27Å; H325-L362 VanDerWaalsContact N-O 3.14Å; H325-L362 PolarHBondContact O-N 2.9Å; V327-L362 HydrophobicContact CG1-CD1 4.34Å; V327-L362 HydrophobicContact CG2-CD1 3.75Å; V327-L362 HydrophobicContact CG2-CD2 4.3Å; V327-L362 HydrophobicContact CG2-CG 3.84Å; L332-L362 HydrophobicContact CD1-CD1 4.01Å; L332-L362 HydrophobicContact CD1-CD2 3.87Å; L332-L362 HydrophobicContact CD2-CD2 4.2Å; L335-L362 HydrophobicContact CD2-CD1 3.63Å; V360-L362 HydrophobicContact CG1-CD2 3.81Å; L362-L368 HydrophobicContact CB-CD1 4.38Å; L362-L368 HydrophobicContact CD1-CD1 4.26Å; L362-L368 HydrophobicContact CD2-CD1 3.88Å; L362-L368 HydrophobicContact CG-CD1 4.4Å
363	Y	98.3	Very high	98.1	Very high	28 Å²	28	48.2 Å²	48.2	11%	0.11	24%	0.242	C	C	.	.	S	Bend	trans	-100.7	-11.3	177.2	-73.3	-63	0	0	0	114	P239 Q248 V249 D250 R317 E320 I323 V361	P239-Y363 VanDerWaalsContact CG-OH 3.32Å; P239-Y363 WeakPolarHBondContact CG-OH 3.2Å; Q248-Y363 HydrophobicContact CB-CE2 4.17Å; Q248-Y363 HydrophobicContact CG-CE2 3.96Å; V249-Y363 PolarHBondContact O-N 3.02Å; V249-Y363 VanDerWaalsContact O-N 3.13Å; D250-Y363 HydrophobicContact CB-CD2 4.36Å; D250-Y363 VanDerWaalsContact OD1-CB 3.29Å; D250-Y363 WeakPolarHBondContact OD1-CB 3.32Å; R317-Y363 PolarHBondContact NH1-O 3.21Å; E320-Y363 WeakPolarHBondContact OE1-CE1 3.43Å; E320-Y363 PolarHBondContact OE1-OH 2.71Å; I323-Y363 HydrophobicContact CD1-CD1 3.92Å; I323-Y363 HydrophobicContact CG1-CD1 3.99Å; I323-Y363 WeakPolarHBondContact O-CA 3.1Å; V361-Y363 HydrophobicContact CG1-CE1 4.2Å; V361-Y363 HydrophobicContact CG1-CE2 4.2Å
364	A	97.4	Very high	98.4	Very high	4 Å²	4	42 Å²	42	3%	0.033	21%	0.209	C	C	.	.			trans	-142.4	67.6	-178.8	0	0	0	0	0	110	D250 Q251 Y367 L368	D250-A364 WeakPolarHBondContact OD1-CB 3.08Å; Q251-A364 HydrophobicContact CB-CB 4.08Å; Q251-A364 HydrophobicContact CG-CB 4.37Å; A364-Y367 HydrophobicContact CB-CD1 4.23Å; A364-Y367 HydrophobicContact CB-CG 4.14Å; A364-Y367 WeakPolarHBondContact O-CB 3.33Å; A364-Y367 PolarHBondContact O-N 2.85Å; A364-L368 WeakPolarHBondContact O-CG 3.47Å; A364-L368 PolarHBondContact O-N 2.98Å
365	R	97.5	Very high	98.4	Very high	114 Å²	114	41.4 Å²	41.4	43%	0.43	21%	0.206	S	C	.	.	H	α-helix	trans	-59.2	-52.9	-172.4	-174.5	-171.4	178.7	174.4	0.7	112.8	L335 Y367 L368 Q369	L335-R365 HydrophobicContact CD1-CG 4.05Å; L335-R365 HydrophobicContact CD2-CG 3.59Å; L335-R365 HydrophobicContact CG-CG 4.47Å; R365-Y367 VanDerWaalsContact C-N 3.26Å; R365-Y367 PolarHBondContact O-N 3.01Å; R365-L368 PolarHBondContact O-N 3.03Å; R365-Q369 PolarHBondContact O-N 3.31Å
366	E	98.1	Very high	98.4	Very high	107 Å²	107	43 Å²	43	50%	0.5	21%	0.214	S	C	.	.	H	α-helix	trans	-68.4	-28.7	-179.3	-67.6	69.3	-153.8	0	0	111.9	Q370	E366-Q370 WeakPolarHBondContact O-CG 3.49Å; E366-Q370 PolarHBondContact O-N 3.15Å; E366-Q370 VanDerWaalsContact O-N 3.13Å; E366-Q370 PolarHBondContact O-NE2 3.33Å; E366-Q370 VanDerWaalsContact O-NE2 3.13Å
367	Y	98.7	Very high	98.4	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-50.3	172.3	168.9	-86.3	0	0	0	110.4	F230 Q251 S252 L307 I310 A364 R365 Q369 Q370 V371	F230-Y367 VanDerWaalsContact O-CE1 3.27Å; F230-Y367 WeakPolarHBondContact O-CE1 3.45Å; F230-Y367 PolarHBondContact O-OH 3.5Å; Q251-Y367 VanDerWaalsContact CA-CE1 3.42Å; Q251-Y367 HydrophobicContact CB-CD1 3.72Å; Q251-Y367 HydrophobicContact CB-CD2 3.85Å; Q251-Y367 HydrophobicContact CB-CE1 3.6Å; Q251-Y367 HydrophobicContact CB-CE2 3.74Å; Q251-Y367 HydrophobicContact CB-CG 3.85Å; S252-Y367 PolarHBondContact N-OH 3.46Å; S252-Y367 PolarHBondContact O-OH 2.8Å; L307-Y367 HydrophobicContact CD1-CE2 4.01Å; L307-Y367 WeakPolarHBondContact CD1-OH 3.46Å; I310-Y367 HydrophobicContact CB-CD2 4.29Å; I310-Y367 HydrophobicContact CG2-CD2 3.61Å; I310-Y367 HydrophobicContact CG2-CE2 4.2Å; I310-Y367 HydrophobicContact CG2-CG 4.21Å; A364-Y367 HydrophobicContact CB-CD1 4.23Å; A364-Y367 HydrophobicContact CB-CG 4.14Å; A364-Y367 WeakPolarHBondContact O-CB 3.33Å; A364-Y367 PolarHBondContact O-N 2.85Å; R365-Y367 VanDerWaalsContact C-N 3.26Å; R365-Y367 PolarHBondContact O-N 3.01Å; Y367-Q369 VanDerWaalsContact C-N 3.29Å; Y367-Q369 PolarHBondContact O-N 2.93Å; Y367-Q370 PolarHBondContact O-N 3.03Å; Y367-Q370 VanDerWaalsContact O-N 3.13Å; Y367-V371 HydrophobicContact CD1-CG2 3.95Å; Y367-V371 HydrophobicContact CD2-CG2 4.23Å; Y367-V371 HydrophobicContact CE1-CB 4.44Å; Y367-V371 HydrophobicContact CE1-CG2 3.54Å; Y367-V371 HydrophobicContact CE2-CG2 3.86Å; Y367-V371 HydrophobicContact CG-CG2 4.27Å; Y367-V371 WeakPolarHBondContact O-CB 3.37Å; Y367-V371 WeakPolarHBondContact O-CG2 3.38Å; Y367-V371 PolarHBondContact O-N 3.12Å
368	L	98.8	Very high	98.4	Very high	2 Å²	2	43 Å²	43	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-61.2	-37.7	-179.2	-68.4	172.7	0	0	0	112.3	F231 V249 L332 A336 W341 L362 A364 R365 S372	F231-L368 HydrophobicContact CB-CD2 3.83Å; F231-L368 HydrophobicContact CD1-CD2 4.44Å; F231-L368 HydrophobicContact CG-CD2 4.32Å; V249-L368 HydrophobicContact CB-CD1 4.41Å; V249-L368 HydrophobicContact CG1-CD1 3.84Å; V249-L368 HydrophobicContact CG1-CD2 3.91Å; L332-L368 HydrophobicContact CD1-CD1 4.24Å; A336-L368 HydrophobicContact CB-CB 4.36Å; W341-L368 HydrophobicContact CH2-CD2 4.36Å; L362-L368 HydrophobicContact CB-CD1 4.38Å; L362-L368 HydrophobicContact CD1-CD1 4.26Å; L362-L368 HydrophobicContact CD2-CD1 3.88Å; L362-L368 HydrophobicContact CG-CD1 4.4Å; A364-L368 WeakPolarHBondContact O-CG 3.47Å; A364-L368 PolarHBondContact O-N 2.98Å; R365-L368 PolarHBondContact O-N 3.03Å; L368-S372 WeakPolarHBondContact O-CB 3.35Å; L368-S372 PolarHBondContact O-N 3.3Å
369	Q	98.6	Very high	98.4	Very high	86 Å²	86	47.4 Å²	47.4	40%	0.402	23%	0.228	S	C	.	.	H	α-helix	trans	-61.9	-49.5	173.7	-175.5	179.3	-4.7	0	0	111.5	L335 R365 Y367 V371 S372 E373	L335-Q369 HydrophobicContact CD1-CB 4.31Å; R365-Q369 PolarHBondContact O-N 3.31Å; Y367-Q369 VanDerWaalsContact C-N 3.29Å; Y367-Q369 PolarHBondContact O-N 2.93Å; Q369-V371 PolarHBondContact O-N 2.9Å; Q369-S372 WeakPolarHBondContact O-CB 3.25Å; Q369-S372 PolarHBondContact O-N 3.18Å; Q369-E373 PolarHBondContact O-N 3.38Å
370	Q	98.8	Very high	98.3	Very high	85 Å²	85	51.6 Å²	51.6	40%	0.397	24%	0.238	S	C	.	.	H	α-helix	trans	-67	-35.8	179.7	-75.2	175.5	82.6	0	0	112.7	I310 E366 Y367 E373 L374	I310-Q370 HydrophobicContact CB-CB 4.49Å; I310-Q370 HydrophobicContact CD1-CB 4.12Å; I310-Q370 HydrophobicContact CG1-CB 4.19Å; I310-Q370 HydrophobicContact CG2-CB 3.44Å; I310-Q370 VanDerWaalsContact CG2-CB 3.44Å; I310-Q370 HydrophobicContact CG2-CG 4.29Å; E366-Q370 WeakPolarHBondContact O-CG 3.49Å; E366-Q370 PolarHBondContact O-N 3.15Å; E366-Q370 VanDerWaalsContact O-N 3.13Å; E366-Q370 PolarHBondContact O-NE2 3.33Å; E366-Q370 VanDerWaalsContact O-NE2 3.13Å; Y367-Q370 PolarHBondContact O-N 3.03Å; Y367-Q370 VanDerWaalsContact O-N 3.13Å; Q370-E373 PolarHBondContact O-N 3.44Å; Q370-L374 WeakPolarHBondContact O-CB 3.2Å; Q370-L374 PolarHBondContact O-N 3.09Å
371	V	98.8	Very high	98.3	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-41.4	173	166.2	0	0	0	0	110.9	F230 L307 I310 Y367 Q369 E373 L374 I375	F230-V371 HydrophobicContact CB-CG1 3.8Å; L307-V371 HydrophobicContact CD1-CG2 3.57Å; I310-V371 HydrophobicContact CG2-CG2 4.4Å; Y367-V371 HydrophobicContact CD1-CG2 3.95Å; Y367-V371 HydrophobicContact CD2-CG2 4.23Å; Y367-V371 HydrophobicContact CE1-CB 4.44Å; Y367-V371 HydrophobicContact CE1-CG2 3.54Å; Y367-V371 HydrophobicContact CE2-CG2 3.86Å; Y367-V371 HydrophobicContact CG-CG2 4.27Å; Y367-V371 WeakPolarHBondContact O-CB 3.37Å; Y367-V371 WeakPolarHBondContact O-CG2 3.38Å; Y367-V371 PolarHBondContact O-N 3.12Å; Q369-V371 PolarHBondContact O-N 2.9Å; V371-E373 VanDerWaalsContact C-N 3.3Å; V371-E373 PolarHBondContact O-N 2.6Å; V371-L374 WeakPolarHBondContact O-CB 3.17Å; V371-L374 PolarHBondContact O-N 3.46Å; V371-L374 VanDerWaalsContact O-N 3.17Å; V371-I375 HydrophobicContact CG1-CD1 3.86Å; V371-I375 HydrophobicContact CG1-CG1 4.41Å; V371-I375 WeakPolarHBondContact O-CG1 3.33Å; V371-I375 PolarHBondContact O-N 3.24Å
372	S	98.8	Very high	98.2	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-40.7	173.2	-178.6	0	0	0	0	111.9	A336 P337 A338 L368 Q369 N376	A336-S372 VanDerWaalsContact C-OG 3.28Å; P337-S372 VanDerWaalsContact CD-OG 3.3Å; P337-S372 WeakPolarHBondContact CD-OG 3.46Å; A338-S372 WeakPolarHBondContact CB-O 3.28Å; A338-S372 WeakPolarHBondContact CB-OG 3.06Å; A338-S372 PolarHBondContact N-OG 3.28Å; L368-S372 WeakPolarHBondContact O-CB 3.35Å; L368-S372 PolarHBondContact O-N 3.3Å; Q369-S372 WeakPolarHBondContact O-CB 3.25Å; Q369-S372 PolarHBondContact O-N 3.18Å; S372-N376 PolarHBondContact O-N 2.92Å; S372-N376 PolarHBondContact O-ND2 3.15Å
373	E	98.6	Very high	98.2	Very high	85 Å²	85	54.1 Å²	54.1	40%	0.397	25%	0.253	S	S	.	.	H	α-helix	trans	-66.5	-39.3	174.2	-71.2	-173.3	-155	0	0	112.7	Q369 Q370 V371 N376 K377	Q369-E373 PolarHBondContact O-N 3.38Å; Q370-E373 PolarHBondContact O-N 3.44Å; V371-E373 VanDerWaalsContact C-N 3.3Å; V371-E373 PolarHBondContact O-N 2.6Å; E373-N376 PolarHBondContact O-N 3.43Å; E373-K377 WeakPolarHBondContact O-CB 3.38Å; E373-K377 WeakPolarHBondContact O-CD 3.49Å; E373-K377 VanDerWaalsContact O-CG 3.27Å; E373-K377 WeakPolarHBondContact O-CG 3.28Å; E373-K377 PolarHBondContact O-N 2.92Å; E373-K377 VanDerWaalsContact O-N 3.14Å; E373-K377 IonicContact OE2-NZ 3.23Å; E373-K377 PolarHBondContact OE2-NZ 3.04Å
374	L	98.7	Very high	98.2	Very high	24 Å²	24	52.9 Å²	52.9	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-50.3	177.6	-179.7	59.7	0	0	0	110.3	F303 V306 L307 I310 Q370 V371 N376 K377 T378	F303-L374 HydrophobicContact CD2-CD2 4.49Å; F303-L374 HydrophobicContact CE1-CD2 4.35Å; F303-L374 HydrophobicContact CE2-CD1 4.02Å; F303-L374 HydrophobicContact CE2-CD2 3.76Å; F303-L374 HydrophobicContact CE2-CG 3.65Å; F303-L374 HydrophobicContact CZ-CD2 3.64Å; F303-L374 HydrophobicContact CZ-CG 3.91Å; V306-L374 HydrophobicContact CG1-CD1 3.84Å; V306-L374 HydrophobicContact CG1-CD2 4.06Å; L307-L374 HydrophobicContact CD1-CD2 4.45Å; I310-L374 HydrophobicContact CD1-CB 4.46Å; I310-L374 HydrophobicContact CD1-CD2 3.99Å; Q370-L374 WeakPolarHBondContact O-CB 3.2Å; Q370-L374 PolarHBondContact O-N 3.09Å; V371-L374 WeakPolarHBondContact O-CB 3.17Å; V371-L374 PolarHBondContact O-N 3.46Å; V371-L374 VanDerWaalsContact O-N 3.17Å; L374-N376 VanDerWaalsContact C-N 3.32Å; L374-N376 PolarHBondContact O-N 2.95Å; L374-K377 PolarHBondContact O-N 3.32Å; L374-K377 VanDerWaalsContact O-N 3.1Å; L374-T378 WeakPolarHBondContact O-CB 3.24Å; L374-T378 PolarHBondContact O-N 2.84Å; L374-T378 PolarHBondContact O-OG1 3.26Å
375	I	98.7	Very high	98.3	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.051	25%	0.247	C	C	.	.	H	α-helix	trans	-54.2	-48.8	176.6	-68.3	164.1	0	0	0	110.6	F214 F230 A338 V371 K377 T378 L383	F214-I375 HydrophobicContact CE1-CG2 4.19Å; F214-I375 HydrophobicContact CE2-CG2 4.07Å; F214-I375 HydrophobicContact CZ-CD1 4.25Å; F214-I375 HydrophobicContact CZ-CG2 3.68Å; F230-I375 HydrophobicContact CB-CD1 4.42Å; F230-I375 HydrophobicContact CD1-CD1 4.23Å; F230-I375 HydrophobicContact CD1-CG1 4.12Å; F230-I375 HydrophobicContact CD2-CD1 4.3Å; F230-I375 HydrophobicContact CE1-CG1 4.14Å; F230-I375 HydrophobicContact CG-CD1 4.08Å; F230-I375 HydrophobicContact CG-CG1 4.46Å; F230-I375 HydrophobicContact CZ-CG1 4.49Å; A338-I375 HydrophobicContact CB-CB 3.91Å; A338-I375 HydrophobicContact CB-CD1 4.39Å; A338-I375 HydrophobicContact CB-CG2 3.82Å; V371-I375 HydrophobicContact CG1-CD1 3.86Å; V371-I375 HydrophobicContact CG1-CG1 4.41Å; V371-I375 WeakPolarHBondContact O-CG1 3.33Å; V371-I375 PolarHBondContact O-N 3.24Å; I375-K377 VanDerWaalsContact C-N 3.26Å; I375-K377 PolarHBondContact O-N 3.49Å; I375-T378 PolarHBondContact O-N 3.43Å; I375-L383 HydrophobicContact CG1-CD2 4.41Å; I375-L383 HydrophobicContact CG2-CD1 4.06Å
376	N	98	Very high	98.4	Very high	107 Å²	107	47.3 Å²	47.3	57%	0.572	23%	0.226	S	C	*	.	H	α-helix	trans	-66.1	-24.5	-178.2	-75.1	-26.8	0	0	0	114.4	A338 S372 E373 L374	A338-N376 WeakPolarHBondContact CB-OD1 3.21Å; S372-N376 PolarHBondContact O-N 2.92Å; S372-N376 PolarHBondContact O-ND2 3.15Å; E373-N376 PolarHBondContact O-N 3.43Å; L374-N376 VanDerWaalsContact C-N 3.32Å; L374-N376 PolarHBondContact O-N 2.95Å
377	K	97.7	Very high	98.4	Very high	156 Å²	156	42.3 Å²	42.3	68%	0.678	20%	0.203	S	C	*	.	H	α-helix	trans	-94	-14.6	-178.7	-70.2	168	-172.7	161	0	112.9	E373 L374 I375	E373-K377 WeakPolarHBondContact O-CB 3.38Å; E373-K377 WeakPolarHBondContact O-CD 3.49Å; E373-K377 VanDerWaalsContact O-CG 3.27Å; E373-K377 WeakPolarHBondContact O-CG 3.28Å; E373-K377 PolarHBondContact O-N 2.92Å; E373-K377 VanDerWaalsContact O-N 3.14Å; E373-K377 IonicContact OE2-NZ 3.23Å; E373-K377 PolarHBondContact OE2-NZ 3.04Å; L374-K377 PolarHBondContact O-N 3.32Å; L374-K377 VanDerWaalsContact O-N 3.1Å; I375-K377 VanDerWaalsContact C-N 3.26Å; I375-K377 PolarHBondContact O-N 3.49Å
378	T	98.4	Very high	98.4	Very high	27 Å²	27	42.2 Å²	42.2	17%	0.166	20%	0.203	C	C	.	.	S	Bend	trans	-91.1	143.5	-175.7	-61.2	0	0	0	0	111.7	F303 L374 I375 L382 L383	F303-T378 HydrophobicContact CD2-CG2 3.99Å; F303-T378 HydrophobicContact CE2-CG2 3.92Å; L374-T378 WeakPolarHBondContact O-CB 3.24Å; L374-T378 PolarHBondContact O-N 2.84Å; L374-T378 PolarHBondContact O-OG1 3.26Å; I375-T378 PolarHBondContact O-N 3.43Å; T378-L382 HydrophobicContact CG2-CB 4.02Å; T378-L382 HydrophobicContact CG2-CD2 3.82Å; T378-L382 HydrophobicContact CG2-CG 3.94Å; T378-L383 HydrophobicContact CG2-CD2 3.92Å; T378-L383 HydrophobicContact CG2-CG 3.86Å
379	D	97.4	Very high	98.3	Very high	107 Å²	107	42.1 Å²	42.1	57%	0.572	20%	0.202	S	C	*	.			trans	-59.7	141	174.5	178.6	-96.2	0	0	0	112	S381 L382 L383	D379-S381 VanDerWaalsContact C-N 3.29Å; D379-S381 PolarHBondContact O-N 3.14Å; D379-S381 WeakPolarHBondContact OD1-CA 3.32Å; D379-S381 WeakPolarHBondContact OD1-CB 3.47Å; D379-S381 PolarHBondContact OD1-N 3.41Å; D379-L382 HydrophobicContact CB-CB 4.46Å; D379-L382 PolarHBondContact O-N 2.93Å; D379-L382 PolarHBondContact OD1-N 2.68Å; D379-L383 PolarHBondContact O-N 3.22Å
380	R	96.8	Very high	98.3	Very high	132 Å²	132	38.2 Å²	38.2	50%	0.498	18%	0.184	S	C	.	.	H	α-helix	trans	-62.2	-36.2	-175.3	-60.1	178.7	-171.6	-168	-6.1	112.5	W209 D212 L383 N384	W209-R380 HydrophobicContact CZ3-CB 4.19Å; W209-R380 WeakPolarHBondContact CZ3-O 3.43Å; D212-R380 IonicContact OD1-CZ 2.97Å; D212-R380 IonicContact OD1-NH1 3.68Å; D212-R380 PolarHBondContact OD1-NH1 3.46Å; D212-R380 IonicContact OD2-CZ 2.68Å; D212-R380 IonicContact OD2-NH1 3.8Å; D212-R380 PolarHBondContact OD2-NH1 3.23Å; D212-R380 IonicContact OD2-NH2 2.66Å; R380-L383 PolarHBondContact O-N 3.38Å; R380-N384 PolarHBondContact O-N 3.09Å
381	S	97.8	Very high	98.2	Very high	16 Å²	16	34.3 Å²	34.3	11%	0.112	17%	0.166	C	C	.	.	H	α-helix	trans	-66.2	-42.2	178.5	-159.8	0	0	0	0	110.8	N204 W209 D379 N384 N385	N204-S381 PolarHBondContact ND2-OG 2.82Å; W209-S381 PolarHBondContact O-OG 3.44Å; D379-S381 VanDerWaalsContact C-N 3.29Å; D379-S381 PolarHBondContact O-N 3.14Å; D379-S381 WeakPolarHBondContact OD1-CA 3.32Å; D379-S381 WeakPolarHBondContact OD1-CB 3.47Å; D379-S381 PolarHBondContact OD1-N 3.41Å; S381-N384 PolarHBondContact O-N 2.94Å; S381-N385 WeakPolarHBondContact O-CB 3.36Å; S381-N385 PolarHBondContact O-N 3.29Å
382	L	98.4	Very high	98.1	Very high	30 Å²	30	34.2 Å²	34.2	16%	0.157	17%	0.165	C	C	.	.	H	α-helix	trans	-65.4	-42.5	175.1	-179.8	54.2	0	0	0	111.9	Q299 I300 T378 D379 N384 N385 Y386	Q299-L382 HydrophobicContact CB-CD1 3.74Å; Q299-L382 HydrophobicContact CB-CD2 4.29Å; I300-L382 HydrophobicContact CG1-CD1 4.05Å; T378-L382 HydrophobicContact CG2-CB 4.02Å; T378-L382 HydrophobicContact CG2-CD2 3.82Å; T378-L382 HydrophobicContact CG2-CG 3.94Å; D379-L382 HydrophobicContact CB-CB 4.46Å; D379-L382 PolarHBondContact O-N 2.93Å; D379-L382 PolarHBondContact OD1-N 2.68Å; L382-N384 PolarHBondContact O-N 2.8Å; L382-N385 PolarHBondContact O-N 2.88Å; L382-Y386 WeakPolarHBondContact O-CB 3.4Å; L382-Y386 PolarHBondContact O-N 2.88Å
383	L	98.6	Very high	98	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-46.5	175.4	-71.4	172.9	0	0	0	112.1	F214 F230 F303 I375 T378 D379 R380 Y386 M387	F214-L383 HydrophobicContact CD2-CB 4.25Å; F214-L383 HydrophobicContact CD2-CD1 4.14Å; F214-L383 HydrophobicContact CE2-CB 4.29Å; F214-L383 HydrophobicContact CE2-CD1 4.12Å; F230-L383 HydrophobicContact CE1-CD2 3.89Å; F230-L383 HydrophobicContact CZ-CD2 3.83Å; F303-L383 HydrophobicContact CE2-CD2 4.12Å; F303-L383 HydrophobicContact CZ-CD2 4.2Å; I375-L383 HydrophobicContact CG1-CD2 4.41Å; I375-L383 HydrophobicContact CG2-CD1 4.06Å; T378-L383 HydrophobicContact CG2-CD2 3.92Å; T378-L383 HydrophobicContact CG2-CG 3.86Å; D379-L383 PolarHBondContact O-N 3.22Å; R380-L383 PolarHBondContact O-N 3.38Å; L383-Y386 PolarHBondContact O-N 2.95Å; L383-M387 WeakPolarHBondContact O-CG 3.31Å; L383-M387 PolarHBondContact O-N 3.37Å
384	N	98.6	Very high	97.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-65.2	-42.1	177.1	177.4	81.7	0	0	0	112	G202 W209 R380 S381 L382 Y386 M387 M388	G202-N384 PolarHBondContact O-ND2 3.04Å; W209-N384 HydrophobicContact CD2-CB 4.28Å; W209-N384 VanDerWaalsContact CE2-ND2 3.25Å; W209-N384 HydrophobicContact CE3-CB 4.28Å; W209-N384 HydrophobicContact CH2-CB 3.37Å; W209-N384 HydrophobicContact CZ2-CB 3.32Å; W209-N384 VanDerWaalsContact CZ2-OD1 3.31Å; W209-N384 WeakPolarHBondContact CZ2-OD1 3.45Å; W209-N384 HydrophobicContact CZ3-CB 3.88Å; W209-N384 PolarHBondContact NE1-ND2 2.87Å; R380-N384 PolarHBondContact O-N 3.09Å; S381-N384 PolarHBondContact O-N 2.94Å; L382-N384 PolarHBondContact O-N 2.8Å; N384-Y386 VanDerWaalsContact C-N 3.31Å; N384-Y386 PolarHBondContact O-N 2.9Å; N384-M387 PolarHBondContact O-N 2.86Å; N384-M388 WeakPolarHBondContact O-CB 3.32Å; N384-M388 VanDerWaalsContact O-CG 3.23Å; N384-M388 WeakPolarHBondContact O-CG 3.28Å; N384-M388 PolarHBondContact O-N 2.95Å
385	N	98.5	Very high	97.4	Very high	2 Å²	2	35 Å²	35	1%	0.011	17%	0.168	C	C	.	.	H	α-helix	trans	-58.2	-43.9	175.3	-85.6	5.4	0	0	0	111.7	N204 Q296 I300 S381 L382 M388 W389	N204-N385 WeakPolarHBondContact CB-OD1 3.39Å; N204-N385 PolarHBondContact N-OD1 3.21Å; Q296-N385 PolarHBondContact OE1-ND2 3.02Å; I300-N385 HydrophobicContact CD1-CB 4.03Å; I300-N385 HydrophobicContact CG1-CB 4.37Å; S381-N385 WeakPolarHBondContact O-CB 3.36Å; S381-N385 PolarHBondContact O-N 3.29Å; L382-N385 PolarHBondContact O-N 2.88Å; N385-M388 PolarHBondContact O-N 2.95Å; N385-W389 VanDerWaalsContact O-CB 3.28Å; N385-W389 WeakPolarHBondContact O-CB 3.41Å; N385-W389 PolarHBondContact O-N 3.37Å
386	Y	98.8	Very high	97.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-46.4	175.3	168.8	-105.6	0	0	0	112.3	P229 F230 G253 I300 F303 E304 L307 L382 L383 N384 M388 W389 T390	P229-Y386 HydrophobicContact CB-CD1 4.37Å; P229-Y386 HydrophobicContact CB-CE1 3.74Å; F230-Y386 HydrophobicContact CD1-CD1 4.07Å; F230-Y386 AromaticContact CD1-CE1 3.53Å; F230-Y386 HydrophobicContact CD1-CE1 3.53Å; F230-Y386 HydrophobicContact CD2-CE1 4.48Å; F230-Y386 AromaticContact CE1-CD1 3.36Å; F230-Y386 HydrophobicContact CE1-CD1 3.36Å; F230-Y386 AromaticContact CE1-CE1 3.32Å; F230-Y386 HydrophobicContact CE1-CE1 3.32Å; F230-Y386 HydrophobicContact CE2-CD1 4.36Å; F230-Y386 HydrophobicContact CE2-CE1 4.32Å; F230-Y386 HydrophobicContact CG-CE1 4.12Å; F230-Y386 AromaticContact CZ-CD1 3.53Å; F230-Y386 HydrophobicContact CZ-CD1 3.53Å; F230-Y386 AromaticContact CZ-CE1 3.76Å; F230-Y386 HydrophobicContact CZ-CE1 3.76Å; G253-Y386 VanDerWaalsContact C-OH 3.23Å; G253-Y386 WeakPolarHBondContact CA-OH 3.34Å; G253-Y386 PolarHBondContact O-OH 2.8Å; I300-Y386 HydrophobicContact CG2-CD2 4.09Å; F303-Y386 HydrophobicContact CD1-CD1 4.16Å; F303-Y386 AromaticContact CD1-CD2 3.92Å; F303-Y386 HydrophobicContact CD1-CD2 3.92Å; F303-Y386 HydrophobicContact CD1-CE1 4.41Å; F303-Y386 HydrophobicContact CD1-CE2 4.2Å; F303-Y386 AromaticContact CD1-CG 3.89Å; F303-Y386 HydrophobicContact CD1-CG 3.89Å; F303-Y386 AromaticContact CE1-CD1 3.75Å; F303-Y386 HydrophobicContact CE1-CD1 3.75Å; F303-Y386 HydrophobicContact CE1-CD2 4.28Å; F303-Y386 AromaticContact CE1-CE1 3.82Å; F303-Y386 HydrophobicContact CE1-CE1 3.82Å; F303-Y386 HydrophobicContact CE1-CE2 4.34Å; F303-Y386 AromaticContact CE1-CG 3.98Å; F303-Y386 HydrophobicContact CE1-CG 3.98Å; E304-Y386 HydrophobicContact CG-CD2 4.28Å; E304-Y386 HydrophobicContact CG-CE2 3.85Å; L307-Y386 WeakPolarHBondContact CD2-OH 3.37Å; L382-Y386 WeakPolarHBondContact O-CB 3.4Å; L382-Y386 PolarHBondContact O-N 2.88Å; L383-Y386 PolarHBondContact O-N 2.95Å; N384-Y386 VanDerWaalsContact C-N 3.31Å; N384-Y386 PolarHBondContact O-N 2.9Å; Y386-M388 VanDerWaalsContact C-N 3.33Å; Y386-M388 PolarHBondContact O-N 2.8Å; Y386-W389 WeakPolarHBondContact O-CB 3.47Å; Y386-W389 PolarHBondContact O-N 3.42Å; Y386-W389 VanDerWaalsContact O-N 3.13Å; Y386-T390 HydrophobicContact CE1-CG2 4.42Å; Y386-T390 HydrophobicContact CE2-CG2 4.05Å; Y386-T390 WeakPolarHBondContact O-CG2 3.47Å; Y386-T390 PolarHBondContact O-N 3.43Å
387	M	98.6	Very high	96.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-43.2	175.9	-71.6	-170.7	-70.8	0	0	112.1	F214 V217 L218 V221 P229 F230 L383 N384 W389 T390 L391	F214-M387 HydrophobicContact CD2-CE 3.55Å; F214-M387 HydrophobicContact CD2-SD 4.26Å; F214-M387 HydrophobicContact CE2-CE 3.89Å; F214-M387 HydrophobicContact CE2-SD 4.04Å; F214-M387 HydrophobicContact CG-CE 4.41Å; V217-M387 HydrophobicContact CB-CE 3.87Å; V217-M387 HydrophobicContact CB-SD 4.42Å; V217-M387 HydrophobicContact CG1-CB 4.02Å; V217-M387 HydrophobicContact CG1-CE 3.67Å; V217-M387 HydrophobicContact CG1-SD 4Å; L218-M387 HydrophobicContact CB-SD 3.82Å; L218-M387 HydrophobicContact CD1-SD 4.13Å; V221-M387 HydrophobicContact CG2-CB 4.49Å; P229-M387 HydrophobicContact CB-CG 4.09Å; P229-M387 HydrophobicContact CG-CG 3.95Å; F230-M387 HydrophobicContact CE2-CG 3.63Å; F230-M387 HydrophobicContact CE2-SD 3.88Å; F230-M387 HydrophobicContact CZ-CG 3.93Å; L383-M387 WeakPolarHBondContact O-CG 3.31Å; L383-M387 PolarHBondContact O-N 3.37Å; N384-M387 PolarHBondContact O-N 2.86Å; M387-W389 VanDerWaalsContact C-N 3.32Å; M387-W389 PolarHBondContact O-N 3.17Å; M387-T390 PolarHBondContact O-N 2.93Å; M387-T390 PolarHBondContact O-OG1 3.09Å; M387-L391 PolarHBondContact O-N 3.48Å
388	M	98.1	Very high	96.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-34	176.5	-68.8	-73.3	178.8	0	0	111.9	I197 I200 G202 W203 V217 N384 N385 Y386 L391 V392	I197-M388 HydrophobicContact CG2-SD 4.22Å; I200-M388 HydrophobicContact CB-CE 3.86Å; I200-M388 HydrophobicContact CG2-CE 3.55Å; I200-M388 HydrophobicContact CG2-SD 4.47Å; G202-M388 WeakPolarHBondContact O-CE 3.16Å; W203-M388 HydrophobicContact CB-CB 4.11Å; W203-M388 HydrophobicContact CB-CG 4.03Å; W203-M388 HydrophobicContact CD2-CB 4.13Å; W203-M388 HydrophobicContact CE3-CB 3.58Å; W203-M388 HydrophobicContact CG-CB 4.42Å; W203-M388 HydrophobicContact CZ3-CB 4.32Å; V217-M388 HydrophobicContact CG1-CE 3.9Å; V217-M388 HydrophobicContact CG2-CE 4.29Å; N384-M388 WeakPolarHBondContact O-CB 3.32Å; N384-M388 VanDerWaalsContact O-CG 3.23Å; N384-M388 WeakPolarHBondContact O-CG 3.28Å; N384-M388 PolarHBondContact O-N 2.95Å; N385-M388 PolarHBondContact O-N 2.95Å; Y386-M388 VanDerWaalsContact C-N 3.33Å; Y386-M388 PolarHBondContact O-N 2.8Å; M388-L391 WeakPolarHBondContact O-CB 3.28Å; M388-L391 PolarHBondContact O-N 2.87Å; M388-L391 HydrophobicContact SD-CD2 4.32Å; M388-V392 WeakPolarHBondContact O-CG2 3.44Å; M388-V392 PolarHBondContact O-N 3.02Å
389	W	98.5	Very high	96.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.2	-43.1	172.6	177.7	-119.1	0	0	0	112.2	Y275 Y278 M279 L282 M297 I300 E304 N385 Y386 M387 L391 V392 Q393	Y275-W389 AromaticContact CE2-CZ2 3.92Å; Y275-W389 HydrophobicContact CE2-CZ2 3.92Å; Y275-W389 AromaticContact CZ-NE1 4Å; Y275-W389 PolarHBondContact OH-NE1 3.18Å; Y278-W389 HydrophobicContact CD1-CH2 4.09Å; Y278-W389 HydrophobicContact CD1-CZ2 4.31Å; Y278-W389 AromaticContact CE1-CH2 3.88Å; Y278-W389 HydrophobicContact CE1-CH2 3.88Å; Y278-W389 HydrophobicContact CE1-CZ2 4.16Å; M279-W389 HydrophobicContact CB-CH2 4.08Å; M279-W389 HydrophobicContact CB-CZ2 4.16Å; M279-W389 HydrophobicContact CE-CZ2 4.49Å; M279-W389 HydrophobicContact CG-CH2 3.76Å; M279-W389 HydrophobicContact CG-CZ2 3.36Å; L282-W389 HydrophobicContact CB-CH2 4.41Å; L282-W389 HydrophobicContact CB-CZ3 4.05Å; L282-W389 HydrophobicContact CD1-CH2 3.9Å; L282-W389 HydrophobicContact CD1-CZ3 3.99Å; L282-W389 HydrophobicContact CG-CH2 4.41Å; L282-W389 HydrophobicContact CG-CZ3 4.48Å; M297-W389 HydrophobicContact CE-CE3 4.08Å; M297-W389 HydrophobicContact CE-CZ3 4.31Å; M297-W389 HydrophobicContact SD-CE3 4.36Å; I300-W389 HydrophobicContact CD1-CB 4.07Å; I300-W389 HydrophobicContact CD1-CG 4.39Å; I300-W389 HydrophobicContact CG2-CB 4.45Å; I300-W389 HydrophobicContact CG2-CG 4.13Å; E304-W389 PolarHBondContact OE1-NE1 3.21Å; N385-W389 VanDerWaalsContact O-CB 3.28Å; N385-W389 WeakPolarHBondContact O-CB 3.41Å; N385-W389 PolarHBondContact O-N 3.37Å; Y386-W389 WeakPolarHBondContact O-CB 3.47Å; Y386-W389 PolarHBondContact O-N 3.42Å; Y386-W389 VanDerWaalsContact O-N 3.13Å; M387-W389 VanDerWaalsContact C-N 3.32Å; M387-W389 PolarHBondContact O-N 3.17Å; W389-L391 VanDerWaalsContact C-N 3.26Å; W389-L391 PolarHBondContact O-N 2.93Å; W389-V392 HydrophobicContact CE3-CB 4.18Å; W389-V392 HydrophobicContact CE3-CG1 4.08Å; W389-V392 HydrophobicContact CZ3-CB 4.45Å; W389-V392 HydrophobicContact CZ3-CG1 3.85Å; W389-V392 WeakPolarHBondContact O-CB 3.35Å; W389-V392 PolarHBondContact O-N 3.25Å; W389-V392 VanDerWaalsContact O-N 3.14Å; W389-Q393 HydrophobicContact CD2-CG 4.41Å; W389-Q393 HydrophobicContact CZ2-CG 4.02Å; W389-Q393 WeakPolarHBondContact O-CG 3.49Å; W389-Q393 PolarHBondContact O-N 3.45Å
390	T	97.6	Very high	96.5	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-61.2	-35.1	173.9	66.8	0	0	0	0	112.7	P229 Y386 M387 K394	P229-T390 HydrophobicContact CB-CG2 3.93Å; Y386-T390 HydrophobicContact CE1-CG2 4.42Å; Y386-T390 HydrophobicContact CE2-CG2 4.05Å; Y386-T390 WeakPolarHBondContact O-CG2 3.47Å; Y386-T390 PolarHBondContact O-N 3.43Å; M387-T390 PolarHBondContact O-N 2.93Å; M387-T390 PolarHBondContact O-OG1 3.09Å; T390-K394 PolarHBondContact O-N 2.83Å
391	L	96.8	Very high	96.4	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-68	-42.5	173.9	-178.8	73.6	0	0	0	112.1	L196 I200 V221 Y225 M387 M388 W389 Q393 K394 G395	L196-L391 HydrophobicContact CD2-CD1 4.11Å; L196-L391 HydrophobicContact CD2-CD2 4.12Å; L196-L391 HydrophobicContact CD2-CG 4.28Å; L196-L391 HydrophobicContact CG-CD2 4.12Å; I200-L391 HydrophobicContact CD1-CD1 4.37Å; I200-L391 HydrophobicContact CD1-CD2 3.34Å; I200-L391 HydrophobicContact CD1-CG 4.49Å; V221-L391 HydrophobicContact CG1-CB 4.36Å; Y225-L391 HydrophobicContact CD2-CD1 4.09Å; Y225-L391 HydrophobicContact CG-CD1 3.96Å; M387-L391 PolarHBondContact O-N 3.48Å; M388-L391 WeakPolarHBondContact O-CB 3.28Å; M388-L391 PolarHBondContact O-N 2.87Å; M388-L391 HydrophobicContact SD-CD2 4.32Å; W389-L391 VanDerWaalsContact C-N 3.26Å; W389-L391 PolarHBondContact O-N 2.93Å; L391-Q393 VanDerWaalsContact C-N 3.29Å; L391-Q393 PolarHBondContact O-N 3.45Å; L391-K394 PolarHBondContact O-N 3.19Å; L391-K394 VanDerWaalsContact O-N 3.11Å; L391-G395 PolarHBondContact O-N 2.77Å
392	V	97.6	Very high	96.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.4	-45.5	175.7	168	0	0	0	0	110.4	L193 I197 W203 L282 L286 M388 W389 K394 G395 V396	L193-V392 HydrophobicContact CD2-CB 4.37Å; L193-V392 HydrophobicContact CD2-CG1 4.18Å; L193-V392 HydrophobicContact CD2-CG2 4.18Å; I197-V392 HydrophobicContact CD1-CG2 3.88Å; W203-V392 HydrophobicContact CH2-CG2 3.79Å; W203-V392 HydrophobicContact CZ2-CG2 4.48Å; W203-V392 HydrophobicContact CZ3-CG2 4.09Å; L282-V392 HydrophobicContact CD1-CG1 3.93Å; L286-V392 HydrophobicContact CD1-CB 4.48Å; L286-V392 HydrophobicContact CD1-CG1 3.87Å; L286-V392 HydrophobicContact CD1-CG2 3.7Å; M388-V392 WeakPolarHBondContact O-CG2 3.44Å; M388-V392 PolarHBondContact O-N 3.02Å; W389-V392 HydrophobicContact CE3-CB 4.18Å; W389-V392 HydrophobicContact CE3-CG1 4.08Å; W389-V392 HydrophobicContact CZ3-CB 4.45Å; W389-V392 HydrophobicContact CZ3-CG1 3.85Å; W389-V392 WeakPolarHBondContact O-CB 3.35Å; W389-V392 PolarHBondContact O-N 3.25Å; W389-V392 VanDerWaalsContact O-N 3.14Å; V392-K394 VanDerWaalsContact C-N 3.25Å; V392-K394 PolarHBondContact O-N 3.37Å; V392-G395 PolarHBondContact O-N 3.11Å; V392-G395 VanDerWaalsContact O-N 3.1Å; V392-V396 WeakPolarHBondContact O-CB 3.03Å; V392-V396 PolarHBondContact O-N 3.48Å
393	Q	95.3	Very high	96.3	Very high	34 Å²	34	18.9 Å²	18.9	16%	0.159	9%	0.093	C	C	.	.	H	α-helix	trans	-59	-34.6	176.7	-67.7	168.1	-13.9	0	0	112.9	F255 Y275 W389 L391	F255-Q393 HydrophobicContact CD2-CB 4.07Å; F255-Q393 HydrophobicContact CD2-CG 3.56Å; F255-Q393 HydrophobicContact CE2-CB 3.93Å; F255-Q393 HydrophobicContact CE2-CG 3.62Å; F255-Q393 HydrophobicContact CG-CG 4.41Å; Y275-Q393 PolarHBondContact OH-NE2 2.9Å; W389-Q393 HydrophobicContact CD2-CG 4.41Å; W389-Q393 HydrophobicContact CZ2-CG 4.02Å; W389-Q393 WeakPolarHBondContact O-CG 3.49Å; W389-Q393 PolarHBondContact O-N 3.45Å; L391-Q393 VanDerWaalsContact C-N 3.29Å; L391-Q393 PolarHBondContact O-N 3.45Å
394	K	92.4	Very high	96	Very high	92 Å²	92	20.8 Å²	20.8	40%	0.4	10%	0.101	S	C	.	.	H	α-helix	trans	-73.7	-25.6	176.1	-71.4	-52.9	-174.6	-174.3	0	114.6	R226 A227 T390 L391 V392 Y531	R226-K394 WeakPolarHBondContact O-CE 3.49Å; A227-K394 HydrophobicContact CB-CG 3.92Å; T390-K394 PolarHBondContact O-N 2.83Å; L391-K394 PolarHBondContact O-N 3.19Å; L391-K394 VanDerWaalsContact O-N 3.11Å; V392-K394 VanDerWaalsContact C-N 3.25Å; V392-K394 PolarHBondContact O-N 3.37Å; K394-Y531 HydrophobicContact CB-CE2 4.39Å; K394-Y531 PolarHBondContact O-OH 3.37Å
395	G	92.9	Very high	95.7	Very high	5 Å²	5	23.8 Å²	23.8	5%	0.052	12%	0.118	C	C	.	.	H	α-helix	trans	-96.6	-24.4	-177.5	0	0	0	0	0	114.8	L391 V392 A397 T398	L391-G395 PolarHBondContact O-N 2.77Å; V392-G395 PolarHBondContact O-N 3.11Å; V392-G395 VanDerWaalsContact O-N 3.1Å; G395-A397 VanDerWaalsContact C-N 3.32Å; G395-A397 PolarHBondContact O-N 3.07Å; G395-A397 VanDerWaalsContact O-N 3.17Å; G395-T398 PolarHBondContact O-N 3.07Å; G395-T398 VanDerWaalsContact O-N 3.1Å; G395-T398 PolarHBondContact O-OG1 3.26Å
396	V	94.1	Very high	95.6	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.03	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-57.3	-37.7	-165.1	68.7	0	0	0	0	114.8	L282 V392 T398 L399 F403	L282-V396 HydrophobicContact CD1-CB 4.37Å; L282-V396 HydrophobicContact CD1-CG2 3.75Å; L282-V396 HydrophobicContact CD2-CG2 4.3Å; V392-V396 WeakPolarHBondContact O-CB 3.03Å; V392-V396 PolarHBondContact O-N 3.48Å; V396-T398 PolarHBondContact O-N 2.99Å; V396-L399 PolarHBondContact O-N 3.16Å; V396-F403 HydrophobicContact CG2-CB 3.77Å; V396-F403 HydrophobicContact CG2-CD1 3.72Å; V396-F403 HydrophobicContact CG2-CG 4.17Å
397	A	90.7	Very high	95.3	Very high	42 Å²	42	26.5 Å²	26.5	35%	0.347	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-67.8	-7.4	-177.1	0	0	0	0	0	114.1	G395	G395-A397 VanDerWaalsContact C-N 3.32Å; G395-A397 PolarHBondContact O-N 3.07Å; G395-A397 VanDerWaalsContact O-N 3.17Å
398	T	93.9	Very high	94.9	Very high	8 Å²	8	27.7 Å²	27.7	5%	0.049	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-108.4	4.6	-177.9	66	0	0	0	0	113.7	G395 V396 F523 F524 M527	G395-T398 PolarHBondContact O-N 3.07Å; G395-T398 VanDerWaalsContact O-N 3.1Å; G395-T398 PolarHBondContact O-OG1 3.26Å; V396-T398 PolarHBondContact O-N 2.99Å; T398-F523 HydrophobicContact CG2-CD1 4.02Å; T398-F523 HydrophobicContact CG2-CE1 3.56Å; T398-F523 HydrophobicContact CG2-CZ 4Å; T398-F524 WeakPolarHBondContact OG1-CD2 3.01Å; T398-M527 HydrophobicContact CG2-CB 4.03Å; T398-M527 HydrophobicContact CG2-CG 4.13Å
399	L	96.3	Very high	94.6	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-97.5	-175.4	-178.5	-59.1	179.5	0	0	0	112.4	I185 L193 V396 F403 F524	I185-L399 VanDerWaalsContact CG2-C 3.49Å; I185-L399 WeakPolarHBondContact CG2-O 3.34Å; L193-L399 HydrophobicContact CB-CD1 4.02Å; L193-L399 HydrophobicContact CB-CD2 4.27Å; L193-L399 HydrophobicContact CD2-CD1 3.69Å; V396-L399 PolarHBondContact O-N 3.16Å; L399-F403 HydrophobicContact CB-CB 4.1Å; L399-F403 HydrophobicContact CB-CD2 3.56Å; L399-F403 HydrophobicContact CB-CE2 4.11Å; L399-F403 HydrophobicContact CB-CG 3.83Å; L399-F403 HydrophobicContact CD1-CD1 3.81Å; L399-F403 HydrophobicContact CD1-CD2 3.89Å; L399-F403 HydrophobicContact CD1-CE1 3.75Å; L399-F403 HydrophobicContact CD1-CE2 3.83Å; L399-F403 HydrophobicContact CD1-CG 3.88Å; L399-F403 HydrophobicContact CD1-CZ 3.76Å; L399-F403 HydrophobicContact CG-CD2 4.39Å; L399-F524 HydrophobicContact CD2-CD2 3.61Å; L399-F524 HydrophobicContact CD2-CE2 3.86Å; L399-F524 HydrophobicContact CG-CD2 4.49Å
400	D	96.4	Very high	94.4	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	16%	0.16	C	C	.	.			trans	-66.1	169.6	-177.6	74.8	40.4	0	0	0	114.8	G189 R402 F403 E404	G189-D400 WeakPolarHBondContact CA-OD2 3.18Å; D400-R402 PolarHBondContact O-N 2.92Å; D400-R402 WeakPolarHBondContact OD1-CB 3.35Å; D400-R402 WeakPolarHBondContact OD1-CG 3.44Å; D400-R402 IonicContact OD1-CZ 3.41Å; D400-R402 PolarHBondContact OD1-N 3.27Å; D400-R402 IonicContact OD1-NE 2.64Å; D400-R402 PolarHBondContact OD1-NE 3.34Å; D400-R402 VanDerWaalsContact OD1-NE 3.09Å; D400-R402 IonicContact OD1-NH2 2.7Å; D400-R402 IonicContact OD2-CZ 3.39Å; D400-R402 VanDerWaalsContact OD2-CZ 3.29Å; D400-R402 IonicContact OD2-NE 3.35Å; D400-R402 PolarHBondContact OD2-NE 3.35Å; D400-R402 IonicContact OD2-NH2 3.3Å; D400-R402 PolarHBondContact OD2-NH2 3.26Å; D400-F403 PolarHBondContact O-N 3.2Å; D400-E404 PolarHBondContact O-N 3.32Å
401	Q	94.9	Very high	94.1	Very high	83 Å²	83	35 Å²	35	39%	0.388	17%	0.171	S	C	.	.	H	α-helix	trans	-54.4	-24.7	-176	-170.5	67.6	79.6	0	0	114.1	E186 F403 E404 N405	E186-Q401 VanDerWaalsContact OE1-CB 3.24Å; E186-Q401 WeakPolarHBondContact OE1-CB 3.37Å; E186-Q401 PolarHBondContact OE1-N 2.99Å; Q401-F403 VanDerWaalsContact C-N 3.3Å; Q401-F403 PolarHBondContact O-N 2.8Å; Q401-E404 PolarHBondContact NE2-OE2 2.86Å; Q401-E404 PolarHBondContact O-N 3.36Å; Q401-N405 PolarHBondContact NE2-OD1 3.23Å; Q401-N405 WeakPolarHBondContact O-CB 3.4Å; Q401-N405 PolarHBondContact O-N 3.17Å; Q401-N405 PolarHBondContact O-ND2 3.48Å; Q401-N405 VanDerWaalsContact O-ND2 3.14Å; Q401-N405 PolarHBondContact O-OD1 3.48Å
402	R	96.9	Very high	93.8	Very high	100 Å²	100	38.2 Å²	38.2	38%	0.377	19%	0.185	S	C	.	.	H	α-helix	trans	-65.3	-38.2	178.6	-56.8	175	-67.9	155.8	-3.3	110.9	L285 D400 A406	L285-R402 HydrophobicContact CD1-CB 3.91Å; L285-R402 HydrophobicContact CD2-CB 3.88Å; L285-R402 HydrophobicContact CD2-CG 4.45Å; D400-R402 PolarHBondContact O-N 2.92Å; D400-R402 WeakPolarHBondContact OD1-CB 3.35Å; D400-R402 WeakPolarHBondContact OD1-CG 3.44Å; D400-R402 IonicContact OD1-CZ 3.41Å; D400-R402 PolarHBondContact OD1-N 3.27Å; D400-R402 IonicContact OD1-NE 2.64Å; D400-R402 PolarHBondContact OD1-NE 3.34Å; D400-R402 VanDerWaalsContact OD1-NE 3.09Å; D400-R402 IonicContact OD1-NH2 2.7Å; D400-R402 IonicContact OD2-CZ 3.39Å; D400-R402 VanDerWaalsContact OD2-CZ 3.29Å; D400-R402 IonicContact OD2-NE 3.35Å; D400-R402 PolarHBondContact OD2-NE 3.35Å; D400-R402 IonicContact OD2-NH2 3.3Å; D400-R402 PolarHBondContact OD2-NH2 3.26Å; R402-A406 PolarHBondContact O-N 2.97Å; R402-A406 VanDerWaalsContact O-N 3.15Å
403	F	96.6	Very high	93.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-72.3	-41.9	177.7	-68.9	-89.3	0	0	0	111.6	L282 L285 L286 V396 L399 D400 Q401 N405 A406 Q407	L282-F403 HydrophobicContact CD2-CD1 3.64Å; L282-F403 HydrophobicContact CD2-CE1 4.2Å; L285-F403 HydrophobicContact CB-CE1 3.91Å; L285-F403 HydrophobicContact CB-CE2 4.29Å; L285-F403 HydrophobicContact CB-CZ 3.67Å; L285-F403 HydrophobicContact CD1-CD1 4.14Å; L285-F403 HydrophobicContact CD1-CD2 4.41Å; L285-F403 HydrophobicContact CD1-CE1 4.14Å; L285-F403 HydrophobicContact CD1-CE2 4.4Å; L285-F403 HydrophobicContact CD1-CG 4.28Å; L285-F403 HydrophobicContact CD1-CZ 4.28Å; L286-F403 HydrophobicContact CD2-CE1 4.07Å; L286-F403 HydrophobicContact CD2-CZ 3.91Å; L286-F403 HydrophobicContact CG-CE1 4.15Å; L286-F403 HydrophobicContact CG-CZ 4.3Å; V396-F403 HydrophobicContact CG2-CB 3.77Å; V396-F403 HydrophobicContact CG2-CD1 3.72Å; V396-F403 HydrophobicContact CG2-CG 4.17Å; L399-F403 HydrophobicContact CB-CB 4.1Å; L399-F403 HydrophobicContact CB-CD2 3.56Å; L399-F403 HydrophobicContact CB-CE2 4.11Å; L399-F403 HydrophobicContact CB-CG 3.83Å; L399-F403 HydrophobicContact CD1-CD1 3.81Å; L399-F403 HydrophobicContact CD1-CD2 3.89Å; L399-F403 HydrophobicContact CD1-CE1 3.75Å; L399-F403 HydrophobicContact CD1-CE2 3.83Å; L399-F403 HydrophobicContact CD1-CG 3.88Å; L399-F403 HydrophobicContact CD1-CZ 3.76Å; L399-F403 HydrophobicContact CG-CD2 4.39Å; D400-F403 PolarHBondContact O-N 3.2Å; Q401-F403 VanDerWaalsContact C-N 3.3Å; Q401-F403 PolarHBondContact O-N 2.8Å; F403-N405 VanDerWaalsContact C-N 3.33Å; F403-N405 PolarHBondContact O-N 3.48Å; F403-A406 PolarHBondContact O-N 2.84Å; F403-Q407 PolarHBondContact O-N 3.27Å
404	E	92.5	Very high	93.4	Very high	48 Å²	48	39.1 Å²	39.1	22%	0.224	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-45.3	172.8	-64.9	-174.4	170.7	0	0	111.3	D400 Q401 A406 Q407 D408 R424	D400-E404 PolarHBondContact O-N 3.32Å; Q401-E404 PolarHBondContact NE2-OE2 2.86Å; Q401-E404 PolarHBondContact O-N 3.36Å; E404-A406 VanDerWaalsContact C-N 3.3Å; E404-A406 PolarHBondContact O-N 2.81Å; E404-Q407 PolarHBondContact O-N 2.8Å; E404-Q407 VanDerWaalsContact O-N 3.16Å; E404-D408 PolarHBondContact O-N 3.05Å; E404-R424 IonicContact OE1-CZ 2.61Å; E404-R424 IonicContact OE1-NH1 3.87Å; E404-R424 PolarHBondContact OE1-NH1 2.89Å
405	N	92.8	Very high	93.3	Very high	65 Å²	65	37.7 Å²	37.7	35%	0.348	19%	0.187	S	C	.	.	H	α-helix	trans	-62.5	-36.3	178.2	-70.5	-24	0	0	0	112.7	Q401 F403 K409	Q401-N405 PolarHBondContact NE2-OD1 3.23Å; Q401-N405 WeakPolarHBondContact O-CB 3.4Å; Q401-N405 PolarHBondContact O-N 3.17Å; Q401-N405 PolarHBondContact O-ND2 3.48Å; Q401-N405 VanDerWaalsContact O-ND2 3.14Å; Q401-N405 PolarHBondContact O-OD1 3.48Å; F403-N405 VanDerWaalsContact C-N 3.33Å; F403-N405 PolarHBondContact O-N 3.48Å; N405-K409 WeakPolarHBondContact O-CG 3.46Å; N405-K409 PolarHBondContact O-N 3.27Å
406	A	95	Very high	93.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-43.1	175.4	0	0	0	0	0	110.5	Y278 E281 L282 R402 F403 E404 K409	Y278-A406 HydrophobicContact CD2-CB 3.98Å; Y278-A406 WeakPolarHBondContact CD2-O 3.4Å; Y278-A406 HydrophobicContact CE2-CB 4.17Å; E281-A406 HydrophobicContact CB-CB 4.39Å; E281-A406 HydrophobicContact CG-CB 3.9Å; L282-A406 HydrophobicContact CD2-CB 3.73Å; R402-A406 PolarHBondContact O-N 2.97Å; R402-A406 VanDerWaalsContact O-N 3.15Å; F403-A406 PolarHBondContact O-N 2.84Å; E404-A406 VanDerWaalsContact C-N 3.3Å; E404-A406 PolarHBondContact O-N 2.81Å; A406-K409 PolarHBondContact O-N 2.98Å
407	Q	92.6	Very high	92.7	Very high	58 Å²	58	39.2 Å²	39.2	27%	0.271	20%	0.2	S	C	.	.	H	α-helix	trans	-63.2	-43	177.1	-173.1	173.9	8.7	0	0	111.8	Y278 F403 E404 K409 L410 L411	Y278-Q407 HydrophobicContact CE2-CB 4.04Å; F403-Q407 PolarHBondContact O-N 3.27Å; E404-Q407 PolarHBondContact O-N 2.8Å; E404-Q407 VanDerWaalsContact O-N 3.16Å; Q407-K409 VanDerWaalsContact C-N 3.27Å; Q407-K409 PolarHBondContact O-N 3.36Å; Q407-L410 WeakPolarHBondContact O-CB 3.24Å; Q407-L410 PolarHBondContact O-N 3.44Å; Q407-L411 HydrophobicContact CG-CD1 3.98Å; Q407-L411 HydrophobicContact CG-CG 4.15Å; Q407-L411 WeakPolarHBondContact O-CG 3.44Å; Q407-L411 PolarHBondContact O-N 3.3Å
408	D	90.8	Very high	91.6	Very high	27 Å²	27	45.2 Å²	45.2	14%	0.144	22%	0.219	C	C	.	.	H	α-helix	trans	-55.2	-39.1	177.9	-90.5	1.1	0	0	0	112.8	E404 L410 L411 E412 S420	E404-D408 PolarHBondContact O-N 3.05Å; D408-L410 PolarHBondContact O-N 3.11Å; D408-L411 PolarHBondContact O-N 2.88Å; D408-E412 PolarHBondContact O-N 3.26Å; D408-S420 VanDerWaalsContact OD1-CB 3.27Å; D408-S420 WeakPolarHBondContact OD1-CB 3.43Å; D408-S420 PolarHBondContact OD2-N 2.95Å
409	K	91.6	Very high	90.4	Very high	104 Å²	104	51.2 Å²	51.2	45%	0.452	24%	0.244	S	C	.	.	H	α-helix	trans	-64.9	-38.6	177.4	-64.5	170.9	-162.5	167.3	0	112.5	E281 N405 A406 Q407 S413	E281-K409 IonicContact OE1-NZ 3.85Å; E281-K409 PolarHBondContact OE1-NZ 2.94Å; E281-K409 IonicContact OE2-NZ 3.58Å; E281-K409 PolarHBondContact OE2-NZ 3.01Å; N405-K409 WeakPolarHBondContact O-CG 3.46Å; N405-K409 PolarHBondContact O-N 3.27Å; A406-K409 PolarHBondContact O-N 2.98Å; Q407-K409 VanDerWaalsContact C-N 3.27Å; Q407-K409 PolarHBondContact O-N 3.36Å; K409-S413 PolarHBondContact O-N 3.18Å; K409-S413 PolarHBondContact O-OG 2.97Å
410	L	93.7	Very high	89	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-69.5	-44.1	175.4	177	59.4	0	0	0	110.8	F255 A274 Y275 Y278 Q407 D408 E412 S413 L414	F255-L410 HydrophobicContact CD1-CD2 4.48Å; F255-L410 HydrophobicContact CE1-CD2 3.6Å; F255-L410 HydrophobicContact CZ-CD2 4.43Å; A274-L410 HydrophobicContact CB-CD1 4.09Å; Y275-L410 HydrophobicContact CD2-CD2 4.02Å; Y278-L410 HydrophobicContact CD1-CD2 3.82Å; Y278-L410 HydrophobicContact CD2-CB 4.48Å; Y278-L410 HydrophobicContact CE1-CD2 4.25Å; Y278-L410 HydrophobicContact CG-CB 4.32Å; Y278-L410 HydrophobicContact CG-CD2 4.01Å; Q407-L410 WeakPolarHBondContact O-CB 3.24Å; Q407-L410 PolarHBondContact O-N 3.44Å; D408-L410 PolarHBondContact O-N 3.11Å; L410-E412 VanDerWaalsContact C-N 3.27Å; L410-E412 PolarHBondContact O-N 2.91Å; L410-S413 PolarHBondContact O-N 3Å; L410-L414 HydrophobicContact CD1-CD1 4.1Å; L410-L414 HydrophobicContact CD1-CG 4.26Å; L410-L414 HydrophobicContact CD2-CD1 4.4Å; L410-L414 HydrophobicContact CG-CD1 3.9Å; L410-L414 HydrophobicContact CG-CG 4.48Å; L410-L414 PolarHBondContact O-N 3.39Å
411	L	91.7	Very high	87.8	Confident	49 Å²	49	56.3 Å²	56.3	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-33.2	177	-64.2	177.5	0	0	0	112	Q407 D408 S413 L414 Y415	Q407-L411 HydrophobicContact CG-CD1 3.98Å; Q407-L411 HydrophobicContact CG-CG 4.15Å; Q407-L411 WeakPolarHBondContact O-CG 3.44Å; Q407-L411 PolarHBondContact O-N 3.3Å; D408-L411 PolarHBondContact O-N 2.88Å; L411-S413 VanDerWaalsContact C-N 3.29Å; L411-S413 PolarHBondContact O-N 2.04Å; L411-L414 PolarHBondContact O-N 3.2Å; L411-Y415 HydrophobicContact CB-CD2 4.25Å; L411-Y415 HydrophobicContact CD2-CD2 3.66Å; L411-Y415 HydrophobicContact CD2-CE2 3.46Å; L411-Y415 VanDerWaalsContact CD2-CE2 3.46Å; L411-Y415 WeakPolarHBondContact O-CA 3.4Å; L411-Y415 WeakPolarHBondContact O-CB 3.32Å; L411-Y415 PolarHBondContact O-N 3.36Å
412	E	91.4	Very high	87.3	Confident	69 Å²	69	54 Å²	54	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-42.7	171.4	-179.7	175.6	-178.9	0	0	111.3	D408 L410 G416 T417 K418	D408-E412 PolarHBondContact O-N 3.26Å; L410-E412 VanDerWaalsContact C-N 3.27Å; L410-E412 PolarHBondContact O-N 2.91Å; E412-G416 WeakPolarHBondContact O-CA 3.43Å; E412-G416 PolarHBondContact O-N 3.36Å; E412-T417 WeakPolarHBondContact CA-O 3.38Å; E412-T417 VanDerWaalsContact CB-O 3.28Å; E412-T417 WeakPolarHBondContact CB-O 3.01Å; E412-K418 VanDerWaalsContact CD-CA 3.48Å; E412-K418 HydrophobicContact CG-CB 4.48Å; E412-K418 HydrophobicContact CG-CG 4.32Å; E412-K418 VanDerWaalsContact OE1-CG 3.26Å; E412-K418 WeakPolarHBondContact OE1-CG 3.39Å
413	S	92.3	Very high	87	Confident	44 Å²	44	51.8 Å²	51.8	31%	0.308	27%	0.27	S	S	.	.	H	α-helix	trans	-75.8	-34.9	-178.9	-59.9	0	0	0	0	112.9	A274 K409 L410 L411	A274-S413 VanDerWaalsContact CB-OG 3.31Å; A274-S413 WeakPolarHBondContact CB-OG 3.43Å; K409-S413 PolarHBondContact O-N 3.18Å; K409-S413 PolarHBondContact O-OG 2.97Å; L410-S413 PolarHBondContact O-N 3Å; L411-S413 VanDerWaalsContact C-N 3.29Å; L411-S413 PolarHBondContact O-N 2.04Å
414	L	91.4	Very high	86.8	Confident	9 Å²	9	53.9 Å²	53.9	5%	0.047	28%	0.277	C	S	.	.	H	α-helix	trans	-76.7	-40.2	178.8	-79.6	170.7	0	0	0	113	L256 Y261 V271 L410 L411	L256-L414 HydrophobicContact CD2-CD1 4.47Å; L256-L414 HydrophobicContact CD2-CD2 4.43Å; Y261-L414 HydrophobicContact CD1-CD2 4.36Å; Y261-L414 HydrophobicContact CE1-CD2 3.89Å; V271-L414 HydrophobicContact CB-CD2 4.48Å; V271-L414 HydrophobicContact CG1-CD2 3.39Å; V271-L414 HydrophobicContact CG1-CG 4.08Å; V271-L414 HydrophobicContact CG2-CD2 4.25Å; L410-L414 HydrophobicContact CD1-CD1 4.1Å; L410-L414 HydrophobicContact CD1-CG 4.26Å; L410-L414 HydrophobicContact CD2-CD1 4.4Å; L410-L414 HydrophobicContact CG-CD1 3.9Å; L410-L414 HydrophobicContact CG-CG 4.48Å; L410-L414 PolarHBondContact O-N 3.39Å; L411-L414 PolarHBondContact O-N 3.2Å
415	Y	91.9	Very high	87	Confident	63 Å²	63	54.3 Å²	54.3	25%	0.247	28%	0.277	C	S	.	.	H	α-helix	trans	-123.8	-1.1	-167.2	-57	-60.4	0	0	0	113.9	S137 L411 T712 E718	S137-Y415 VanDerWaalsContact CB-O 3.29Å; S137-Y415 WeakPolarHBondContact CB-O 3.34Å; L411-Y415 HydrophobicContact CB-CD2 4.25Å; L411-Y415 HydrophobicContact CD2-CD2 3.66Å; L411-Y415 HydrophobicContact CD2-CE2 3.46Å; L411-Y415 VanDerWaalsContact CD2-CE2 3.46Å; L411-Y415 WeakPolarHBondContact O-CA 3.4Å; L411-Y415 WeakPolarHBondContact O-CB 3.32Å; L411-Y415 PolarHBondContact O-N 3.36Å; Y415-T712 WeakPolarHBondContact O-CB 3.37Å; Y415-T712 WeakPolarHBondContact O-CG2 3.32Å; Y415-T712 PolarHBondContact O-OG1 2.89Å; Y415-E718 HydrophobicContact CD1-CB 4.46Å; Y415-E718 HydrophobicContact CD1-CG 4.35Å; Y415-E718 HydrophobicContact CE1-CB 4.28Å; Y415-E718 HydrophobicContact CE1-CG 3.7Å
416	G	90.1	Very high	87.1	Confident	24 Å²	24	51.9 Å²	51.9	25%	0.247	26%	0.264	C	S	.	.	S	Bend	trans	79.3	17.8	173.6	0	0	0	0	0	114.6	E412 E714	E412-G416 WeakPolarHBondContact O-CA 3.43Å; E412-G416 PolarHBondContact O-N 3.36Å; G416-E714 WeakPolarHBondContact CA-OE2 3.37Å
417	T	83.9	Confident	87	Confident	18 Å²	18	54.2 Å²	54.2	11%	0.11	28%	0.278	C	S	.	.			trans	-114.4	108.8	-171.9	-56.5	0	0	0	0	111.7	G135 R136 S137 E412 K419	G135-T417 WeakPolarHBondContact O-CG2 3.35Å; R136-T417 PolarHBondContact O-OG1 3.49Å; S137-T417 WeakPolarHBondContact CA-OG1 3.01Å; S137-T417 WeakPolarHBondContact CB-OG1 3.47Å; S137-T417 PolarHBondContact N-OG1 2.91Å; E412-T417 WeakPolarHBondContact CA-O 3.38Å; E412-T417 VanDerWaalsContact CB-O 3.28Å; E412-T417 WeakPolarHBondContact CB-O 3.01Å; T417-K419 VanDerWaalsContact C-N 3.27Å; T417-K419 PolarHBondContact O-N 3.28Å; T417-K419 VanDerWaalsContact O-N 3.15Å
418	K	67.4	Low	87.2	Confident	168 Å²	168	51.5 Å²	51.5	73%	0.73	27%	0.265	S	S	*	.	S	Bend	trans	-64.8	-19.4	-169.2	-55.7	-156.1	163.3	177.7	0	117.5	E412	E412-K418 VanDerWaalsContact CD-CA 3.48Å; E412-K418 HydrophobicContact CG-CB 4.48Å; E412-K418 HydrophobicContact CG-CG 4.32Å; E412-K418 VanDerWaalsContact OE1-CG 3.26Å; E412-K418 WeakPolarHBondContact OE1-CG 3.39Å
419	K	68.8	Low	87.5	Confident	133 Å²	133	50.2 Å²	50.2	58%	0.578	26%	0.258	S	S	*	.	S	Bend	trans	-166	128.1	177.7	-173.3	170.8	-178.3	175.7	0	107.8	G135 T417 C421	G135-K419 WeakPolarHBondContact CA-O 3.4Å; T417-K419 VanDerWaalsContact C-N 3.27Å; T417-K419 PolarHBondContact O-N 3.28Å; T417-K419 VanDerWaalsContact O-N 3.15Å; K419-C421 PolarHBondContact O-N 2.68Å; K419-C421 VanDerWaalsContact O-N 3.08Å
420	S	66.6	Low	87.8	Confident	44 Å²	44	46 Å²	46	31%	0.308	25%	0.245	S	C	.	.			trans	-66.8	112.1	170.5	-175.3	0	0	0	0	108	D408 T422	D408-S420 VanDerWaalsContact OD1-CB 3.27Å; D408-S420 WeakPolarHBondContact OD1-CB 3.43Å; D408-S420 PolarHBondContact OD2-N 2.95Å; S420-T422 PolarHBondContact O-N 2.96Å; S420-T422 WeakPolarHBondContact OG-CB 3.34Å; S420-T422 PolarHBondContact OG-OG1 2.98Å
421	C	71.4	Confident	87.9	Confident	71 Å²	71	47.1 Å²	47.1	48%	0.48	25%	0.251	S	S	.	.			trans	-89	15.4	171.9	-67.4	0	0	0	0	111.3	D134 K419 P423	D134-C421 HydrophobicContact CB-CB 4.46Å; K419-C421 PolarHBondContact O-N 2.68Å; K419-C421 VanDerWaalsContact O-N 3.08Å; C421-P423 VanDerWaalsContact O-CD 3.23Å; C421-P423 WeakPolarHBondContact O-CD 3.43Å
422	T	83.4	Confident	88.2	Confident	34 Å²	34	44.8 Å²	44.8	21%	0.209	24%	0.239	C	C	.	.			trans	-65	117.1	179.9	-55.3	0	0	0	0	108.8	R136 S420 R424 Q426	R136-T422 PolarHBondContact NH1-OG1 3.45Å; S420-T422 PolarHBondContact O-N 2.96Å; S420-T422 WeakPolarHBondContact OG-CB 3.34Å; S420-T422 PolarHBondContact OG-OG1 2.98Å; T422-R424 PolarHBondContact O-N 3.09Å; T422-Q426 HydrophobicContact CG2-CB 3.75Å
423	P	90.9	Very high	88.5	Confident	54 Å²	54	42.3 Å²	42.3	35%	0.351	23%	0.228	S	C	.	.			trans	-58.1	140.9	176.3	-25.5	36.1	0	0	0	111	C421 W425 Q426 T427	C421-P423 VanDerWaalsContact O-CD 3.23Å; C421-P423 WeakPolarHBondContact O-CD 3.43Å; P423-W425 VanDerWaalsContact CB-CD1 3.41Å; P423-W425 HydrophobicContact CB-CG 4.22Å; P423-W425 VanDerWaalsContact CB-NE1 3.31Å; P423-W425 PolarHBondContact O-N 3.04Å; P423-Q426 WeakPolarHBondContact O-CB 3.42Å; P423-Q426 PolarHBondContact O-N 3.43Å; P423-T427 PolarHBondContact O-N 3.2Å
424	R	92.9	Very high	88.7	Confident	44 Å²	44	46.1 Å²	46.1	17%	0.166	24%	0.244	C	C	.	.	H	α-helix	trans	-50.4	-38.2	-179.2	-176.9	64.8	-179.7	-179.1	9	113	C179 L180 T182 E404 T422 Q426 T427 C428	C179-R424 PolarHBondContact O-NE 2.7Å; C179-R424 PolarHBondContact O-NH2 3.33Å; C179-R424 PolarHBondContact SG-NH2 3.21Å; L180-R424 HydrophobicContact CD2-CG 4.39Å; T182-R424 HydrophobicContact CG2-CG 4.04Å; E404-R424 IonicContact OE1-CZ 2.61Å; E404-R424 IonicContact OE1-NH1 3.87Å; E404-R424 PolarHBondContact OE1-NH1 2.89Å; T422-R424 PolarHBondContact O-N 3.09Å; R424-Q426 VanDerWaalsContact C-N 3.31Å; R424-Q426 PolarHBondContact O-N 2.96Å; R424-T427 WeakPolarHBondContact O-CB 3.1Å; R424-T427 PolarHBondContact O-N 3.12Å; R424-C428 PolarHBondContact O-N 2.82Å; R424-C428 PolarHBondContact O-SG 3.35Å
425	W	95.9	Very high	88.9	Confident	57 Å²	57	46 Å²	46	22%	0.216	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-37.7	177.3	72.3	-102.8	0	0	0	112.9	Q150 A151 K154 Y176 L180 P423 C428 I429	Q150-W425 HydrophobicContact CB-CH2 4.49Å; Q150-W425 HydrophobicContact CB-CZ3 4.06Å; A151-W425 HydrophobicContact CB-CH2 4.27Å; K154-W425 HydrophobicContact CB-CE3 3.77Å; K154-W425 HydrophobicContact CB-CZ3 3.88Å; K154-W425 HydrophobicContact CD-CB 4.45Å; K154-W425 HydrophobicContact CD-CD2 3.51Å; K154-W425 HydrophobicContact CD-CE3 3.6Å; K154-W425 HydrophobicContact CD-CG 3.91Å; K154-W425 HydrophobicContact CD-CH2 4.33Å; K154-W425 HydrophobicContact CD-CZ2 4.27Å; K154-W425 HydrophobicContact CD-CZ3 4.01Å; K154-W425 HydrophobicContact CG-CD2 4.15Å; K154-W425 HydrophobicContact CG-CE3 3.85Å; K154-W425 HydrophobicContact CG-CG 4.48Å; K154-W425 HydrophobicContact CG-CZ3 4.36Å; Y176-W425 WeakPolarHBondContact OH-CB 3.49Å; L180-W425 HydrophobicContact CD2-CB 3.93Å; P423-W425 VanDerWaalsContact CB-CD1 3.41Å; P423-W425 HydrophobicContact CB-CG 4.22Å; P423-W425 VanDerWaalsContact CB-NE1 3.31Å; P423-W425 PolarHBondContact O-N 3.04Å; W425-C428 PolarHBondContact O-N 3.31Å; W425-I429 HydrophobicContact CE3-CG1 4.13Å; W425-I429 HydrophobicContact CZ3-CG1 4.49Å; W425-I429 WeakPolarHBondContact O-CG1 3.45Å; W425-I429 PolarHBondContact O-N 2.95Å
426	Q	94.7	Very high	89.2	Confident	15 Å²	15	43 Å²	43	7%	0.07	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-44	176.7	-73.9	-174.3	-18.9	0	0	110.6	T422 P423 R424 C428 I429 G430	T422-Q426 HydrophobicContact CG2-CB 3.75Å; P423-Q426 WeakPolarHBondContact O-CB 3.42Å; P423-Q426 PolarHBondContact O-N 3.43Å; R424-Q426 VanDerWaalsContact C-N 3.31Å; R424-Q426 PolarHBondContact O-N 2.96Å; Q426-C428 VanDerWaalsContact C-N 3.25Å; Q426-C428 PolarHBondContact O-N 3.16Å; Q426-I429 PolarHBondContact O-N 3.44Å; Q426-G430 PolarHBondContact O-N 3.3Å
427	T	93.4	Very high	89.5	Confident	49 Å²	49	42 Å²	42	30%	0.301	22%	0.222	S	C	.	.	H	α-helix	trans	-56.1	-43.9	172.8	-55.4	0	0	0	0	110.8	P423 R424 G430 N431	P423-T427 PolarHBondContact O-N 3.2Å; R424-T427 WeakPolarHBondContact O-CB 3.1Å; R424-T427 PolarHBondContact O-N 3.12Å; T427-G430 PolarHBondContact O-N 2.99Å; T427-N431 PolarHBondContact O-N 3.2Å; T427-N431 PolarHBondContact O-ND2 3.05Å
428	C	97.1	Very high	90.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.9	-36.7	-180	-64.5	0	0	0	0	113.7	Y176 C179 L180 R424 W425 Q426 T432	Y176-C428 HydrophobicContact CD2-CB 3.72Å; Y176-C428 HydrophobicContact CE2-CB 3.68Å; C179-C428 HydrophobicContact CB-CB 3.66Å; C179-C428 WeakPolarHBondContact CB-SG 3.49Å; C179-C428 PolarHBondContact O-SG 2.86Å; C179-C428 VanDerWaalsContact O-SG 3.36Å; C179-C428 WeakPolarHBondContact SG-CA 3.49Å; C179-C428 WeakPolarHBondContact SG-CB 3.45Å; C179-C428 CovalentContact SG-SG 2.04Å; C179-C428 PolarHBondContact SG-SG 3.43Å; L180-C428 HydrophobicContact CD2-CB 4.36Å; R424-C428 PolarHBondContact O-N 2.82Å; R424-C428 PolarHBondContact O-SG 3.35Å; W425-C428 PolarHBondContact O-N 3.31Å; Q426-C428 VanDerWaalsContact C-N 3.25Å; Q426-C428 PolarHBondContact O-N 3.16Å; C428-T432 VanDerWaalsContact O-CB 3.31Å; C428-T432 WeakPolarHBondContact O-CB 3.36Å; C428-T432 PolarHBondContact O-N 3.26Å; C428-T432 PolarHBondContact O-OG1 3.03Å
429	I	97.9	Very high	91.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-45.2	172.3	-63.8	-64.3	0	0	0	110.1	L153 K154 L157 Y176 W425 Q426 N431 T432 D433 L440	L153-I429 HydrophobicContact CB-CD1 4.1Å; L153-I429 HydrophobicContact CB-CG2 3.96Å; L153-I429 HydrophobicContact CD1-CG2 3.82Å; K154-I429 HydrophobicContact CB-CD1 4.45Å; K154-I429 HydrophobicContact CB-CG1 4.46Å; L157-I429 HydrophobicContact CD1-CD1 3.58Å; Y176-I429 HydrophobicContact CD2-CD1 3.7Å; Y176-I429 HydrophobicContact CD2-CG1 4.33Å; Y176-I429 HydrophobicContact CE2-CD1 3.39Å; Y176-I429 HydrophobicContact CE2-CG1 3.75Å; W425-I429 HydrophobicContact CE3-CG1 4.13Å; W425-I429 HydrophobicContact CZ3-CG1 4.49Å; W425-I429 WeakPolarHBondContact O-CG1 3.45Å; W425-I429 PolarHBondContact O-N 2.95Å; Q426-I429 PolarHBondContact O-N 3.44Å; I429-N431 PolarHBondContact O-N 3.26Å; I429-T432 WeakPolarHBondContact O-CB 3.4Å; I429-T432 PolarHBondContact O-N 2.98Å; I429-T432 VanDerWaalsContact O-N 3.11Å; I429-D433 PolarHBondContact O-N 3.05Å; I429-L440 HydrophobicContact CG2-CD2 4.43Å
430	G	96.3	Very high	93	Very high	17 Å²	17	28.8 Å²	28.8	18%	0.175	16%	0.163	C	C	.	.	H	α-helix	trans	-55.8	-51.5	175.2	0	0	0	0	0	112.5	Q426 T427 T432 D433 D434	Q426-G430 PolarHBondContact O-N 3.3Å; T427-G430 PolarHBondContact O-N 2.99Å; G430-T432 PolarHBondContact O-N 3.41Å; G430-D433 PolarHBondContact O-N 3.27Å; G430-D434 PolarHBondContact O-N 2.62Å
431	N	96.8	Very high	94.4	Very high	27 Å²	27	26.7 Å²	26.7	14%	0.144	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-34	176.1	-80.4	-93.9	0	0	0	112.7	Y175 T427 I429 T435 F523	Y175-N431 HydrophobicContact CE1-CB 4.25Å; Y175-N431 WeakPolarHBondContact CE1-O 3.46Å; T427-N431 PolarHBondContact O-N 3.2Å; T427-N431 PolarHBondContact O-ND2 3.05Å; I429-N431 PolarHBondContact O-N 3.26Å; N431-T435 WeakPolarHBondContact O-CB 3.48Å; N431-T435 PolarHBondContact O-N 2.76Å; N431-T435 PolarHBondContact O-OG1 2.9Å; N431-F523 HydrophobicContact CB-CZ 4.2Å
432	T	97.9	Very high	95.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-71.1	-39.7	177.8	-55.8	0	0	0	0	111.1	T172 Y175 C428 I429 G430 T435 L436 L440	T172-T432 HydrophobicContact CG2-CG2 3.51Å; Y175-T432 HydrophobicContact CD1-CG2 4.3Å; C428-T432 VanDerWaalsContact O-CB 3.31Å; C428-T432 WeakPolarHBondContact O-CB 3.36Å; C428-T432 PolarHBondContact O-N 3.26Å; C428-T432 PolarHBondContact O-OG1 3.03Å; I429-T432 WeakPolarHBondContact O-CB 3.4Å; I429-T432 PolarHBondContact O-N 2.98Å; I429-T432 VanDerWaalsContact O-N 3.11Å; G430-T432 PolarHBondContact O-N 3.41Å; T432-T435 PolarHBondContact O-N 3.48Å; T432-L436 CarbonylContact O-C 3.52Å; T432-L436 WeakPolarHBondContact O-CA 3.42Å; T432-L436 PolarHBondContact O-N 3.39Å; T432-L440 HydrophobicContact CG2-CD2 4.29Å
433	D	97.6	Very high	96.2	Very high	17 Å²	17	22.7 Å²	22.7	9%	0.091	12%	0.121	C	C	.	.	H	α-helix	trans	-65.7	-42.8	175.3	-164.9	27.1	0	0	0	111.3	I429 G430 T435 G437 L440 T554	I429-D433 PolarHBondContact O-N 3.05Å; G430-D433 PolarHBondContact O-N 3.27Å; D433-T435 PolarHBondContact O-N 3.41Å; D433-T435 VanDerWaalsContact O-N 3.16Å; D433-G437 WeakPolarHBondContact O-CA 3.34Å; D433-G437 PolarHBondContact O-N 3.06Å; D433-G437 VanDerWaalsContact OD1-CA 3.28Å; D433-G437 WeakPolarHBondContact OD1-CA 3.31Å; D433-L440 HydrophobicContact CB-CD2 3.81Å; D433-T554 WeakPolarHBondContact OD1-CB 3.08Å; D433-T554 PolarHBondContact OD1-OG1 3.47Å; D433-T554 PolarHBondContact OD2-OG1 3.09Å
434	D	95.8	Very high	96.5	Very high	124 Å²	124	20.1 Å²	20.1	66%	0.663	10%	0.104	S	C	*	.	H	α-helix	trans	-61.7	-25.3	176.6	-69.5	-24	0	0	0	113.3	G430 F530	G430-D434 PolarHBondContact O-N 2.62Å; D434-F530 WeakPolarHBondContact O-CZ 3.4Å
435	T	96.4	Very high	96.6	Very high	6 Å²	6	18.3 Å²	18.3	4%	0.037	10%	0.098	C	C	.	.	H	α-helix	trans	-102.8	-46.9	-173.4	-54.9	0	0	0	0	112.4	Y175 N431 T432 D433 Y516 F530	Y175-T435 HydrophobicContact CD2-CG2 4.26Å; Y175-T435 HydrophobicContact CE1-CG2 4.39Å; Y175-T435 HydrophobicContact CE2-CG2 3.84Å; Y175-T435 PolarHBondContact OH-OG1 3.4Å; N431-T435 WeakPolarHBondContact O-CB 3.48Å; N431-T435 PolarHBondContact O-N 2.76Å; N431-T435 PolarHBondContact O-OG1 2.9Å; T432-T435 PolarHBondContact O-N 3.48Å; D433-T435 PolarHBondContact O-N 3.41Å; D433-T435 VanDerWaalsContact O-N 3.16Å; T435-Y516 HydrophobicContact CG2-CE1 3.96Å; T435-Y516 WeakPolarHBondContact CG2-OH 3.49Å; T435-F530 HydrophobicContact CG2-CB 3.81Å; T435-F530 HydrophobicContact CG2-CD1 4.15Å; T435-F530 HydrophobicContact CG2-CD2 3.36Å; T435-F530 HydrophobicContact CG2-CE2 3.91Å; T435-F530 HydrophobicContact CG2-CG 3.49Å; T435-F530 VanDerWaalsContact CG2-CG 3.49Å; T435-F530 HydrophobicContact CG2-CZ 4.49Å; T435-F530 WeakPolarHBondContact O-CE2 3.34Å
436	L	97.6	Very high	96.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-128.9	26.7	-169.2	-71.3	170	0	0	0	111.3	K171 T172 Y175 T432 F438 A439 L440 Y513 Y516	K171-L436 HydrophobicContact CB-CD1 4.46Å; T172-L436 VanDerWaalsContact CA-CD1 3.46Å; T172-L436 HydrophobicContact CG2-CB 4.33Å; Y175-L436 HydrophobicContact CG-CD1 4.24Å; T432-L436 CarbonylContact O-C 3.52Å; T432-L436 WeakPolarHBondContact O-CA 3.42Å; T432-L436 PolarHBondContact O-N 3.39Å; L436-F438 VanDerWaalsContact C-N 3.29Å; L436-F438 PolarHBondContact O-N 3.17Å; L436-F438 VanDerWaalsContact O-N 3.14Å; L436-A439 WeakPolarHBondContact O-CB 3.48Å; L436-A439 PolarHBondContact O-N 3.09Å; L436-L440 PolarHBondContact O-N 3.17Å; L436-Y513 VanDerWaalsContact C-OH 3.29Å; L436-Y513 HydrophobicContact CD2-CD1 3.46Å; L436-Y513 VanDerWaalsContact CD2-CD1 3.46Å; L436-Y513 HydrophobicContact CD2-CE1 3.44Å; L436-Y513 VanDerWaalsContact CD2-CE1 3.44Å; L436-Y513 HydrophobicContact CD2-CG 4.02Å; L436-Y513 PolarHBondContact O-OH 3.21Å; L436-Y516 HydrophobicContact CD1-CE1 3.98Å; L436-Y516 HydrophobicContact CD2-CD1 3.68Å; L436-Y516 HydrophobicContact CD2-CE1 3.64Å; L436-Y516 HydrophobicContact CG-CD1 4.45Å; L436-Y516 HydrophobicContact CG-CE1 3.9Å
437	G	97.3	Very high	96.3	Very high	3 Å²	3	22.4 Å²	22.4	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-63.1	-22.3	-168.4	0	0	0	0	0	116.7	D433 G441	D433-G437 WeakPolarHBondContact O-CA 3.34Å; D433-G437 PolarHBondContact O-N 3.06Å; D433-G437 VanDerWaalsContact OD1-CA 3.28Å; D433-G437 WeakPolarHBondContact OD1-CA 3.31Å; G437-G441 WeakPolarHBondContact O-CA 3.36Å; G437-G441 PolarHBondContact O-N 3.24Å
438	F	97.5	Very high	96.1	Very high	43 Å²	43	23 Å²	23	19%	0.189	13%	0.131	C	C	.	.	H	α-helix	trans	-74.4	-37.9	170.8	-67	-63.5	0	0	0	112	L436 G441 A442 P500 F502 I503 L509 Y513 W551	L436-F438 VanDerWaalsContact C-N 3.29Å; L436-F438 PolarHBondContact O-N 3.17Å; L436-F438 VanDerWaalsContact O-N 3.14Å; F438-G441 PolarHBondContact O-N 3.28Å; F438-A442 PolarHBondContact O-N 2.95Å; F438-P500 HydrophobicContact CD1-CG 4.24Å; F438-P500 HydrophobicContact CE1-CG 4.18Å; F438-F502 HydrophobicContact CB-CE2 4.5Å; F438-F502 HydrophobicContact CB-CZ 4.23Å; F438-F502 HydrophobicContact CD1-CZ 4.17Å; F438-F502 HydrophobicContact CD2-CZ 4.39Å; F438-F502 HydrophobicContact CG-CZ 4.01Å; F438-I503 HydrophobicContact CB-CG2 4.05Å; F438-I503 HydrophobicContact CD1-CG2 4.27Å; F438-L509 HydrophobicContact CB-CD1 4.44Å; F438-Y513 HydrophobicContact CB-CE2 4.43Å; F438-Y513 WeakPolarHBondContact CB-OH 3.35Å; F438-Y513 PolarHBondContact N-OH 3.01Å; F438-W551 HydrophobicContact CE1-CB 3.99Å; F438-W551 HydrophobicContact CZ-CB 4.04Å
439	A	97.8	Very high	95.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-69.3	-40.2	172.9	0	0	0	0	0	111.8	A168 T172 L436 G441 A442 L443 L509 Y513	A168-A439 HydrophobicContact CB-CB 3.93Å; T172-A439 WeakPolarHBondContact OG1-CB 3.32Å; L436-A439 WeakPolarHBondContact O-CB 3.48Å; L436-A439 PolarHBondContact O-N 3.09Å; A439-G441 VanDerWaalsContact C-N 3.28Å; A439-G441 PolarHBondContact O-N 3.27Å; A439-A442 WeakPolarHBondContact O-CB 3.46Å; A439-A442 PolarHBondContact O-N 3.48Å; A439-L443 PolarHBondContact O-N 2.92Å; A439-L509 HydrophobicContact CB-CD1 4.23Å; A439-L509 HydrophobicContact CB-CD2 4.31Å; A439-Y513 HydrophobicContact CB-CD2 4.37Å; A439-Y513 HydrophobicContact CB-CE2 3.75Å; A439-Y513 PolarHBondContact N-OH 2.72Å
440	L	97.4	Very high	94.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-37.6	170.4	-169	61.1	0	0	0	111.7	L153 L157 T172 I429 T432 D433 L436 L443 F444	L153-L440 HydrophobicContact CB-CD1 4.47Å; L153-L440 HydrophobicContact CD1-CD2 3.96Å; L153-L440 HydrophobicContact CD1-CG 4.18Å; L153-L440 HydrophobicContact CD2-CD1 3.71Å; L153-L440 HydrophobicContact CD2-CD2 4.43Å; L153-L440 HydrophobicContact CD2-CG 3.75Å; L153-L440 HydrophobicContact CG-CD1 4.47Å; L153-L440 HydrophobicContact CG-CG 4.47Å; L157-L440 HydrophobicContact CD1-CD1 3.83Å; L157-L440 HydrophobicContact CD2-CD1 4.21Å; L157-L440 HydrophobicContact CG-CD1 4.17Å; T172-L440 HydrophobicContact CG2-CB 4.09Å; T172-L440 HydrophobicContact CG2-CD1 3.98Å; I429-L440 HydrophobicContact CG2-CD2 4.43Å; T432-L440 HydrophobicContact CG2-CD2 4.29Å; D433-L440 HydrophobicContact CB-CD2 3.81Å; L436-L440 PolarHBondContact O-N 3.17Å; L440-L443 HydrophobicContact CD1-CD1 4.47Å; L440-L443 WeakPolarHBondContact O-CB 3.38Å; L440-L443 PolarHBondContact O-N 3.16Å; L440-F444 PolarHBondContact O-N 2.83Å
441	G	97.3	Very high	93.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-36.6	175	0	0	0	0	0	113.3	G437 F438 A439 L443 F444 V445	G437-G441 WeakPolarHBondContact O-CA 3.36Å; G437-G441 PolarHBondContact O-N 3.24Å; F438-G441 PolarHBondContact O-N 3.28Å; A439-G441 VanDerWaalsContact C-N 3.28Å; A439-G441 PolarHBondContact O-N 3.27Å; G441-L443 VanDerWaalsContact C-N 3.32Å; G441-L443 PolarHBondContact O-N 3.36Å; G441-F444 PolarHBondContact O-N 3.11Å; G441-V445 WeakPolarHBondContact O-CB 3.37Å; G441-V445 VanDerWaalsContact O-CG2 3.27Å; G441-V445 WeakPolarHBondContact O-CG2 3.35Å; G441-V445 PolarHBondContact O-N 3.29Å
442	A	96.6	Very high	93.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-44.5	172.9	0	0	0	0	0	111.1	F438 A439 K446 I503 L509	F438-A442 PolarHBondContact O-N 2.95Å; A439-A442 WeakPolarHBondContact O-CB 3.46Å; A439-A442 PolarHBondContact O-N 3.48Å; A442-K446 WeakPolarHBondContact O-CB 3.39Å; A442-K446 WeakPolarHBondContact O-CD 3.47Å; A442-K446 WeakPolarHBondContact O-CG 3.33Å; A442-K446 PolarHBondContact O-N 2.93Å; A442-K446 VanDerWaalsContact O-N 3.13Å; A442-I503 HydrophobicContact CB-CB 4.18Å; A442-I503 HydrophobicContact CB-CG1 4.32Å; A442-I503 VanDerWaalsContact CB-O 3.25Å; A442-I503 WeakPolarHBondContact CB-O 3.39Å; A442-L509 HydrophobicContact CB-CD2 3.91Å
443	L	96.1	Very high	92.4	Very high	20 Å²	20	39.4 Å²	39.4	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-44.3	175	-61.4	174.7	0	0	0	111.7	L156 L157 F162 E169 A439 L440 G441 A447	L156-L443 HydrophobicContact CD1-CB 4.27Å; L157-L443 HydrophobicContact CD2-CD1 3.7Å; F162-L443 HydrophobicContact CE2-CD1 4.03Å; F162-L443 HydrophobicContact CE2-CD2 4.16Å; F162-L443 HydrophobicContact CZ-CD1 4.45Å; E169-L443 HydrophobicContact CB-CD2 4.49Å; E169-L443 HydrophobicContact CG-CD2 4.01Å; E169-L443 HydrophobicContact CG-CG 4.28Å; A439-L443 PolarHBondContact O-N 2.92Å; L440-L443 HydrophobicContact CD1-CD1 4.47Å; L440-L443 WeakPolarHBondContact O-CB 3.38Å; L440-L443 PolarHBondContact O-N 3.16Å; G441-L443 VanDerWaalsContact C-N 3.32Å; G441-L443 PolarHBondContact O-N 3.36Å; L443-A447 PolarHBondContact O-N 2.85Å
444	F	96.1	Very high	91.9	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-53.7	178.8	-176.7	-100	0	0	0	111.8	N149 L152 L153 L440 G441 K446 A447 T448 P556 A573	N149-F444 HydrophobicContact CB-CE2 3.89Å; N149-F444 HydrophobicContact CB-CZ 4.43Å; L152-F444 HydrophobicContact CD2-CD2 4.13Å; L152-F444 HydrophobicContact CD2-CE2 4.06Å; L153-F444 HydrophobicContact CD2-CB 3.9Å; L153-F444 HydrophobicContact CD2-CD2 3.99Å; L153-F444 HydrophobicContact CD2-CG 4.42Å; L153-F444 HydrophobicContact CG-CD2 4.27Å; L440-F444 PolarHBondContact O-N 2.83Å; G441-F444 PolarHBondContact O-N 3.11Å; F444-K446 PolarHBondContact O-N 3.1Å; F444-A447 WeakPolarHBondContact O-CB 3.39Å; F444-A447 PolarHBondContact O-N 3.24Å; F444-T448 HydrophobicContact CD2-CG2 4.19Å; F444-T448 HydrophobicContact CE1-CG2 4.32Å; F444-T448 WeakPolarHBondContact CE1-OG1 3.34Å; F444-T448 HydrophobicContact CE2-CG2 3.86Å; F444-T448 HydrophobicContact CZ-CG2 3.93Å; F444-T448 PolarHBondContact O-N 2.91Å; F444-T448 PolarHBondContact O-OG1 3.44Å; F444-P556 HydrophobicContact CB-CB 4.28Å; F444-P556 HydrophobicContact CD1-CB 4.14Å; F444-P556 HydrophobicContact CD2-CB 3.97Å; F444-P556 HydrophobicContact CE1-CB 4.5Å; F444-P556 HydrophobicContact CE2-CB 4.34Å; F444-P556 HydrophobicContact CG-CB 3.86Å; F444-A573 HydrophobicContact CD1-CB 4.36Å; F444-A573 HydrophobicContact CE1-CB 4.03Å
445	V	94.8	Very high	91.5	Very high	6 Å²	6	39.1 Å²	39.1	4%	0.036	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-42.7	-176.5	168.1	0	0	0	0	111.3	G441 A447 T448 F449 F499 I503 L504 P555 A573	G441-V445 WeakPolarHBondContact O-CB 3.37Å; G441-V445 VanDerWaalsContact O-CG2 3.27Å; G441-V445 WeakPolarHBondContact O-CG2 3.35Å; G441-V445 PolarHBondContact O-N 3.29Å; V445-A447 PolarHBondContact O-N 2.74Å; V445-T448 PolarHBondContact O-N 3.47Å; V445-F449 HydrophobicContact CB-CB 4.4Å; V445-F449 HydrophobicContact CG1-CB 3.92Å; V445-F449 WeakPolarHBondContact O-CB 3.41Å; V445-F449 PolarHBondContact O-N 3.17Å; V445-F499 HydrophobicContact CB-CD1 4.16Å; V445-F499 HydrophobicContact CB-CG 4.44Å; V445-F499 HydrophobicContact CG1-CD1 3.33Å; V445-F499 HydrophobicContact CG1-CD2 4.24Å; V445-F499 HydrophobicContact CG1-CE1 3.3Å; V445-F499 HydrophobicContact CG1-CE2 4.23Å; V445-F499 HydrophobicContact CG1-CG 3.83Å; V445-F499 HydrophobicContact CG1-CZ 3.78Å; V445-F499 HydrophobicContact CG2-CB 3.83Å; V445-F499 HydrophobicContact CG2-CD1 3.67Å; V445-F499 HydrophobicContact CG2-CE1 4.48Å; V445-F499 HydrophobicContact CG2-CG 3.84Å; V445-I503 HydrophobicContact CG2-CD1 4.3Å; V445-L504 HydrophobicContact CG1-CD2 4.26Å; V445-P555 HydrophobicContact CG2-CB 3.78Å; V445-P555 HydrophobicContact CG2-CG 4.47Å; V445-A573 HydrophobicContact CG2-CB 4.24Å
446	K	92.5	Very high	91.1	Very high	105 Å²	105	39.8 Å²	39.8	46%	0.457	20%	0.199	S	C	.	.	H	α-helix	trans	-57.5	-29.3	174.7	-74.2	169.5	-173.7	174.1	0	112.5	T165 E169 A442 F444 L504	T165-K446 PolarHBondContact OG1-NZ 3.3Å; E169-K446 IonicContact OE1-NZ 2.86Å; E169-K446 PolarHBondContact OE1-NZ 3.41Å; E169-K446 IonicContact OE2-NZ 3.13Å; A442-K446 WeakPolarHBondContact O-CB 3.39Å; A442-K446 WeakPolarHBondContact O-CD 3.47Å; A442-K446 WeakPolarHBondContact O-CG 3.33Å; A442-K446 PolarHBondContact O-N 2.93Å; A442-K446 VanDerWaalsContact O-N 3.13Å; F444-K446 PolarHBondContact O-N 3.1Å; K446-L504 HydrophobicContact CG-CD2 4.2Å
447	A	91.8	Very high	90.8	Very high	53 Å²	53	39.9 Å²	39.9	44%	0.438	20%	0.199	S	C	.	.	H	α-helix	trans	-91.5	-32.5	-178.2	0	0	0	0	0	114	L152 L156 L443 F444 V445	L152-A447 HydrophobicContact CD2-CB 4.4Å; L156-A447 HydrophobicContact CD1-CB 3.96Å; L156-A447 HydrophobicContact CD2-CB 4.09Å; L443-A447 PolarHBondContact O-N 2.85Å; F444-A447 WeakPolarHBondContact O-CB 3.39Å; F444-A447 PolarHBondContact O-N 3.24Å; V445-A447 PolarHBondContact O-N 2.74Å
448	T	89.1	Confident	90.6	Very high	61 Å²	61	43.4 Å²	43.4	37%	0.374	22%	0.215	S	C	.	.	H	α-helix	trans	-113.7	-29.9	-168	59.1	0	0	0	0	115	L152 F444 V445	L152-T448 HydrophobicContact CD2-CG2 3.11Å; F444-T448 HydrophobicContact CD2-CG2 4.19Å; F444-T448 HydrophobicContact CE1-CG2 4.32Å; F444-T448 WeakPolarHBondContact CE1-OG1 3.34Å; F444-T448 HydrophobicContact CE2-CG2 3.86Å; F444-T448 HydrophobicContact CZ-CG2 3.93Å; F444-T448 PolarHBondContact O-N 2.91Å; F444-T448 PolarHBondContact O-OG1 3.44Å; V445-T448 PolarHBondContact O-N 3.47Å
449	F	82.7	Confident	90.4	Very high	37 Å²	37	46.2 Å²	46.2	16%	0.162	23%	0.229	C	C	.	.			trans	-104.1	117.7	-157.7	-160.9	-93.5	0	0	0	112	V445 K454 F499 A573 L576	V445-F449 HydrophobicContact CB-CB 4.4Å; V445-F449 HydrophobicContact CG1-CB 3.92Å; V445-F449 WeakPolarHBondContact O-CB 3.41Å; V445-F449 PolarHBondContact O-N 3.17Å; F449-K454 HydrophobicContact CE1-CB 3.96Å; F449-K454 HydrophobicContact CZ-CB 4.17Å; F449-F499 HydrophobicContact CD1-CD1 4.06Å; F449-F499 AromaticContact CD1-CE1 3.51Å; F449-F499 HydrophobicContact CD1-CE1 3.51Å; F449-F499 HydrophobicContact CE1-CD1 4.26Å; F449-F499 AromaticContact CE1-CE1 3.78Å; F449-F499 HydrophobicContact CE1-CE1 3.78Å; F449-F499 HydrophobicContact CG-CD1 4.48Å; F449-F499 HydrophobicContact CG-CE1 4.27Å; F449-A573 HydrophobicContact CD2-CB 3.54Å; F449-A573 HydrophobicContact CE2-CB 3.93Å; F449-A573 HydrophobicContact CG-CB 4.27Å; F449-L576 HydrophobicContact CE2-CB 4.32Å; F449-L576 HydrophobicContact CE2-CD1 3.75Å; F449-L576 HydrophobicContact CZ-CD1 4.04Å
450	D	79.8	Confident	90.2	Very high	74 Å²	74	46.6 Å²	46.6	40%	0.396	23%	0.231	S	C	.	.			trans	-92.3	146.8	174.8	77.3	87.1	0	0	0	111.4	H452 S453	D450-H452 PolarHBondContact O-N 3.18Å; D450-H452 WeakPolarHBondContact OD1-CA 3.38Å; D450-H452 VanDerWaalsContact OD1-CB 3.24Å; D450-H452 WeakPolarHBondContact OD1-CB 3.39Å; D450-H452 PolarHBondContact OD1-N 3.3Å; D450-S453 PolarHBondContact O-N 3.3Å; D450-S453 PolarHBondContact OD1-N 3.04Å; D450-S453 PolarHBondContact OD1-OG 2.76Å; D450-S453 WeakPolarHBondContact OD2-CB 3.35Å; D450-S453 PolarHBondContact OD2-OG 2.89Å
451	K	79.7	Confident	90.2	Very high	161 Å²	161	46.6 Å²	46.6	70%	0.7	23%	0.231	S	C	*	.	H	α-helix	trans	-63.4	-28.5	-178.5	-174.9	176	175.4	179.4	0	113	K454 E455	K451-K454 WeakPolarHBondContact O-CB 3.43Å; K451-K454 PolarHBondContact O-N 3.14Å; K451-E455 PolarHBondContact O-N 2.87Å
452	H	83.9	Confident	90.1	Very high	106 Å²	106	50.2 Å²	50.2	49%	0.491	25%	0.25	S	S	.	.	H	α-helix	trans	-71.9	-34.1	-176.3	-172.4	52.9	0	0	0	111.9	D450 K454 E455 I456	D450-H452 PolarHBondContact O-N 3.18Å; D450-H452 WeakPolarHBondContact OD1-CA 3.38Å; D450-H452 VanDerWaalsContact OD1-CB 3.24Å; D450-H452 WeakPolarHBondContact OD1-CB 3.39Å; D450-H452 PolarHBondContact OD1-N 3.3Å; H452-K454 VanDerWaalsContact C-N 3.27Å; H452-K454 PolarHBondContact O-N 3.41Å; H452-E455 IonicContact ND1-OE2 3.05Å; H452-E455 PolarHBondContact O-N 3.13Å; H452-I456 WeakPolarHBondContact O-CG1 3.4Å; H452-I456 PolarHBondContact O-N 2.96Å; H452-I456 VanDerWaalsContact O-N 3.09Å
453	S	83	Confident	90.2	Very high	10 Å²	10	51.7 Å²	51.7	7%	0.07	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-34.4	173.3	-71.9	0	0	0	0	112.9	D450 A457	D450-S453 PolarHBondContact O-N 3.3Å; D450-S453 PolarHBondContact OD1-N 3.04Å; D450-S453 PolarHBondContact OD1-OG 2.76Å; D450-S453 WeakPolarHBondContact OD2-CB 3.35Å; D450-S453 PolarHBondContact OD2-OG 2.89Å; S453-A457 WeakPolarHBondContact O-CB 3.37Å; S453-A457 PolarHBondContact O-N 3.33Å; S453-A457 VanDerWaalsContact O-N 3.07Å
454	K	86.1	Confident	90.3	Very high	39 Å²	39	50.8 Å²	50.8	17%	0.17	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-49.7	173.2	-174.2	171.4	177.2	166.7	0	111.7	F449 K451 H452 I456 A457 E458 I497 E501	F449-K454 HydrophobicContact CE1-CB 3.96Å; F449-K454 HydrophobicContact CZ-CB 4.17Å; K451-K454 WeakPolarHBondContact O-CB 3.43Å; K451-K454 PolarHBondContact O-N 3.14Å; H452-K454 VanDerWaalsContact C-N 3.27Å; H452-K454 PolarHBondContact O-N 3.41Å; K454-I456 VanDerWaalsContact C-N 3.31Å; K454-I456 PolarHBondContact O-N 2.97Å; K454-A457 PolarHBondContact O-N 3.41Å; K454-E458 VanDerWaalsContact CE-OE1 3.24Å; K454-E458 WeakPolarHBondContact CE-OE1 3.33Å; K454-E458 WeakPolarHBondContact O-CG 3.43Å; K454-E458 PolarHBondContact O-N 3.01Å; K454-I497 HydrophobicContact CG-CB 4.48Å; K454-I497 HydrophobicContact CG-CG2 4.1Å; K454-E501 IonicContact NZ-OE1 3.86Å; K454-E501 PolarHBondContact NZ-OE1 3.28Å
455	E	88.6	Confident	90.4	Very high	96 Å²	96	51.5 Å²	51.5	45%	0.449	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-40.2	-179.1	-66.1	171.1	177	0	0	111.8	K451 H452 E458 E459	K451-E455 PolarHBondContact O-N 2.87Å; H452-E455 IonicContact ND1-OE2 3.05Å; H452-E455 PolarHBondContact O-N 3.13Å; E455-E458 PolarHBondContact O-N 2.69Å; E455-E459 PolarHBondContact O-N 2.93Å
456	I	88.6	Confident	90.5	Very high	21 Å²	21	54.8 Å²	54.8	11%	0.108	28%	0.278	C	S	.	.	H	α-helix	trans	-67.4	-43.7	176.6	-65.8	167.7	0	0	0	111.1	H452 K454 E458 E459 M460 Y581 H583	H452-I456 WeakPolarHBondContact O-CG1 3.4Å; H452-I456 PolarHBondContact O-N 2.96Å; H452-I456 VanDerWaalsContact O-N 3.09Å; K454-I456 VanDerWaalsContact C-N 3.31Å; K454-I456 PolarHBondContact O-N 2.97Å; I456-E458 VanDerWaalsContact C-N 3.29Å; I456-E458 PolarHBondContact O-N 3.37Å; I456-E459 PolarHBondContact O-N 3.35Å; I456-M460 HydrophobicContact CG2-CG 4.42Å; I456-M460 HydrophobicContact CG2-SD 4.22Å; I456-M460 WeakPolarHBondContact O-CG 3.28Å; I456-M460 PolarHBondContact O-N 3.06Å; I456-Y581 VanDerWaalsContact CD1-OH 3.26Å; I456-Y581 WeakPolarHBondContact CD1-OH 3.38Å; I456-Y581 HydrophobicContact CG2-CE2 3.77Å; I456-H583 HydrophobicContact CD1-CB 4.42Å
457	A	90.9	Very high	90.8	Very high	1 Å²	1	50 Å²	50	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-39	177.5	0	0	0	0	0	111.5	S453 K454 M460 I461 I497 L576 M598	S453-A457 WeakPolarHBondContact O-CB 3.37Å; S453-A457 PolarHBondContact O-N 3.33Å; S453-A457 VanDerWaalsContact O-N 3.07Å; K454-A457 PolarHBondContact O-N 3.41Å; A457-M460 PolarHBondContact O-N 3.47Å; A457-I461 WeakPolarHBondContact O-CG2 3.33Å; A457-I461 PolarHBondContact O-N 3.17Å; A457-I497 HydrophobicContact CB-CD1 4.26Å; A457-I497 HydrophobicContact CB-CG2 3.79Å; A457-L576 HydrophobicContact CB-CD2 4.35Å; A457-M598 HydrophobicContact CB-CE 3.8Å; A457-M598 WeakPolarHBondContact O-CE 3.18Å
458	E	91.9	Very high	91.1	Very high	78 Å²	78	47.6 Å²	47.6	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-63.1	-40.1	173.4	-75	172.1	178.1	0	0	112.5	K454 E455 I456 I461 N462 I497	K454-E458 VanDerWaalsContact CE-OE1 3.24Å; K454-E458 WeakPolarHBondContact CE-OE1 3.33Å; K454-E458 WeakPolarHBondContact O-CG 3.43Å; K454-E458 PolarHBondContact O-N 3.01Å; E455-E458 PolarHBondContact O-N 2.69Å; I456-E458 VanDerWaalsContact C-N 3.29Å; I456-E458 PolarHBondContact O-N 3.37Å; E458-I461 VanDerWaalsContact O-CG2 3.24Å; E458-I461 WeakPolarHBondContact O-CG2 3.4Å; E458-N462 PolarHBondContact O-N 3.01Å; E458-N462 PolarHBondContact O-ND2 3.23Å; E458-I497 HydrophobicContact CB-CD1 4.29Å; E458-I497 HydrophobicContact CG-CD1 3.52Å
459	E	92.9	Very high	91.5	Very high	102 Å²	102	47.2 Å²	47.2	48%	0.477	23%	0.231	S	C	.	.	H	α-helix	trans	-65.6	-45.6	173.7	-172.7	176.5	-168.1	0	0	111.1	E455 I456 I461 N462 E463 K681	E455-E459 PolarHBondContact O-N 2.93Å; I456-E459 PolarHBondContact O-N 3.35Å; E459-I461 PolarHBondContact O-N 3.49Å; E459-N462 WeakPolarHBondContact O-CB 3.26Å; E459-N462 PolarHBondContact O-N 2.98Å; E459-E463 PolarHBondContact O-N 3.16Å; E459-K681 IonicContact OE1-NZ 2.93Å
460	M	95	Very high	92.1	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.034	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-46	-178.6	-74.7	-175.6	63.3	0	0	112.7	I456 A457 N462 E463 I464 Y581 N590 F591 I594 M598	I456-M460 HydrophobicContact CG2-CG 4.42Å; I456-M460 HydrophobicContact CG2-SD 4.22Å; I456-M460 WeakPolarHBondContact O-CG 3.28Å; I456-M460 PolarHBondContact O-N 3.06Å; A457-M460 PolarHBondContact O-N 3.47Å; M460-N462 VanDerWaalsContact C-N 3.26Å; M460-N462 PolarHBondContact O-N 3.22Å; M460-E463 PolarHBondContact O-N 2.95Å; M460-I464 WeakPolarHBondContact O-CD1 3.38Å; M460-I464 VanDerWaalsContact O-CG1 3.3Å; M460-I464 WeakPolarHBondContact O-CG1 3.38Å; M460-I464 PolarHBondContact O-N 3.21Å; M460-Y581 HydrophobicContact SD-CD2 4.49Å; M460-Y581 HydrophobicContact SD-CE2 4.46Å; M460-N590 HydrophobicContact CE-CB 3.96Å; M460-N590 HydrophobicContact SD-CB 4.3Å; M460-F591 HydrophobicContact CE-CD1 4.16Å; M460-F591 HydrophobicContact CE-CE1 4.25Å; M460-F591 HydrophobicContact CE-CG 4.28Å; M460-F591 HydrophobicContact CE-CZ 4.47Å; M460-F591 HydrophobicContact CG-CZ 4.43Å; M460-I594 HydrophobicContact CE-CG2 3.7Å; M460-I594 HydrophobicContact SD-CG2 4.28Å; M460-M598 HydrophobicContact CB-CE 4.41Å; M460-M598 HydrophobicContact CB-SD 3.91Å
461	I	96.1	Very high	92.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-36	178.6	-174.1	62.3	0	0	0	111.6	A457 E458 E459 I464 R465 I497 I569 F571 M598	A457-I461 WeakPolarHBondContact O-CG2 3.33Å; A457-I461 PolarHBondContact O-N 3.17Å; E458-I461 VanDerWaalsContact O-CG2 3.24Å; E458-I461 WeakPolarHBondContact O-CG2 3.4Å; E459-I461 PolarHBondContact O-N 3.49Å; I461-I464 PolarHBondContact O-N 2.8Å; I461-R465 WeakPolarHBondContact O-CB 3.45Å; I461-R465 PolarHBondContact O-N 2.98Å; I461-I497 HydrophobicContact CG2-CD1 4.27Å; I461-I569 HydrophobicContact CD1-CD1 3.46Å; I461-I569 VanDerWaalsContact CD1-CD1 3.46Å; I461-I569 HydrophobicContact CG1-CD1 3.75Å; I461-F571 HydrophobicContact CD1-CE2 4.44Å; I461-F571 HydrophobicContact CD1-CZ 4.44Å; I461-M598 HydrophobicContact CB-CE 4.49Å; I461-M598 HydrophobicContact CB-CG 4.49Å; I461-M598 HydrophobicContact CB-SD 4.07Å; I461-M598 HydrophobicContact CD1-CB 3.69Å; I461-M598 HydrophobicContact CD1-CG 4.01Å
462	N	96.6	Very high	93.5	Very high	77 Å²	77	40.7 Å²	40.7	41%	0.412	20%	0.197	S	C	.	.	H	α-helix	trans	-67.1	-38.9	175.9	-80	-51	0	0	0	112.8	E458 E459 M460 I464 R465 S466	E458-N462 PolarHBondContact O-N 3.01Å; E458-N462 PolarHBondContact O-ND2 3.23Å; E459-N462 WeakPolarHBondContact O-CB 3.26Å; E459-N462 PolarHBondContact O-N 2.98Å; M460-N462 VanDerWaalsContact C-N 3.26Å; M460-N462 PolarHBondContact O-N 3.22Å; N462-I464 VanDerWaalsContact C-N 3.33Å; N462-R465 PolarHBondContact OD1-NH1 2.84Å; N462-S466 WeakPolarHBondContact O-CB 3.15Å; N462-S466 PolarHBondContact O-N 3.21Å; N462-S466 PolarHBondContact O-OG 3.01Å
463	E	97.2	Very high	94	Very high	31 Å²	31	40 Å²	40	15%	0.145	20%	0.197	C	C	.	.	H	α-helix	trans	-64.5	-39.2	173.7	-69.5	-167.1	166.2	0	0	111.5	E459 M460 S466 A467 F591 A674	E459-E463 PolarHBondContact O-N 3.16Å; M460-E463 PolarHBondContact O-N 2.95Å; E463-S466 WeakPolarHBondContact O-CB 3.24Å; E463-S466 PolarHBondContact O-N 3.03Å; E463-A467 PolarHBondContact O-N 3.15Å; E463-F591 VanDerWaalsContact OE2-CZ 3.27Å; E463-F591 WeakPolarHBondContact OE2-CZ 3.48Å; E463-A674 HydrophobicContact CB-CB 4.35Å
464	I	98.4	Very high	94.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.3	-46.6	177.5	-66.8	160.2	0	0	0	111.5	M460 I461 N462 S466 A467 F468 F591 G595 M598 A670 A674	M460-I464 WeakPolarHBondContact O-CD1 3.38Å; M460-I464 VanDerWaalsContact O-CG1 3.3Å; M460-I464 WeakPolarHBondContact O-CG1 3.38Å; M460-I464 PolarHBondContact O-N 3.21Å; I461-I464 PolarHBondContact O-N 2.8Å; N462-I464 VanDerWaalsContact C-N 3.33Å; I464-S466 PolarHBondContact O-N 3.37Å; I464-A467 PolarHBondContact O-N 2.81Å; I464-A467 VanDerWaalsContact O-N 3.13Å; I464-F468 PolarHBondContact O-N 3.43Å; I464-F591 HydrophobicContact CG1-CD1 4.49Å; I464-F591 HydrophobicContact CG1-CE1 4.25Å; I464-G595 VanDerWaalsContact CD1-O 3.32Å; I464-G595 WeakPolarHBondContact CD1-O 3.42Å; I464-M598 HydrophobicContact CD1-CB 3.55Å; I464-M598 HydrophobicContact CD1-CG 4.37Å; I464-M598 HydrophobicContact CD1-SD 3.91Å; I464-A670 HydrophobicContact CG2-CB 4.08Å; I464-A674 HydrophobicContact CG1-CB 3.83Å
465	R	98.2	Very high	94.7	Very high	17 Å²	17	45.9 Å²	45.9	6%	0.064	22%	0.217	C	C	.	.	H	α-helix	trans	-54.7	-43.7	172.5	179.6	-174.9	-71.6	119.1	6.1	110.9	I461 N462 F468 K469 A490 D495 L602	I461-R465 WeakPolarHBondContact O-CB 3.45Å; I461-R465 PolarHBondContact O-N 2.98Å; N462-R465 PolarHBondContact OD1-NH1 2.84Å; R465-F468 PolarHBondContact O-N 3.25Å; R465-K469 HydrophobicContact CG-CD 4.28Å; R465-K469 WeakPolarHBondContact O-CG 3.36Å; R465-K469 PolarHBondContact O-N 3.28Å; R465-A490 WeakPolarHBondContact CD-O 3.44Å; R465-A490 PolarHBondContact NE-O 3.37Å; R465-A490 VanDerWaalsContact NE-O 3.15Å; R465-D495 IonicContact CZ-OD1 2.67Å; R465-D495 IonicContact CZ-OD2 2.75Å; R465-D495 IonicContact NH1-OD2 3.66Å; R465-D495 PolarHBondContact NH1-OD2 3.32Å; R465-D495 IonicContact NH2-OD1 2.69Å; R465-D495 PolarHBondContact NH2-OD1 2.84Å; R465-D495 IonicContact NH2-OD2 2.7Å; R465-D495 PolarHBondContact NH2-OD2 3.01Å; R465-L602 HydrophobicContact CB-CD1 4.06Å; R465-L602 HydrophobicContact CG-CD1 4.23Å
466	S	97.9	Very high	95	Very high	74 Å²	74	46.3 Å²	46.3	52%	0.517	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-43.6	177.4	-61.1	0	0	0	0	112.1	N462 E463 I464 K469 Y470	N462-S466 WeakPolarHBondContact O-CB 3.15Å; N462-S466 PolarHBondContact O-N 3.21Å; N462-S466 PolarHBondContact O-OG 3.01Å; E463-S466 WeakPolarHBondContact O-CB 3.24Å; E463-S466 PolarHBondContact O-N 3.03Å; I464-S466 PolarHBondContact O-N 3.37Å; S466-K469 PolarHBondContact O-N 3.1Å; S466-Y470 WeakPolarHBondContact O-CB 3.41Å; S466-Y470 PolarHBondContact O-N 3.35Å
467	A	97.8	Very high	95.3	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.041	23%	0.231	C	C	.	.	H	α-helix	trans	-65.5	-38.3	177.1	0	0	0	0	0	113	E463 I464 S471 A670 H673 A674	E463-A467 PolarHBondContact O-N 3.15Å; I464-A467 PolarHBondContact O-N 2.81Å; I464-A467 VanDerWaalsContact O-N 3.13Å; A467-S471 PolarHBondContact O-N 3.01Å; A467-S471 VanDerWaalsContact O-N 3.09Å; A467-S471 PolarHBondContact O-OG 2.95Å; A467-A670 WeakPolarHBondContact CB-O 3.34Å; A467-H673 HydrophobicContact CB-CB 3.94Å; A467-A674 HydrophobicContact CB-CB 3.93Å
468	F	98.1	Very high	95.6	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-51.4	172.8	-179.2	-92.5	0	0	0	111.2	I464 R465 Y470 S471 L472 A490 L602 F606 A670 W763	I464-F468 PolarHBondContact O-N 3.43Å; R465-F468 PolarHBondContact O-N 3.25Å; F468-Y470 VanDerWaalsContact C-N 3.28Å; F468-Y470 PolarHBondContact O-N 3.23Å; F468-S471 WeakPolarHBondContact O-CA 3.5Å; F468-S471 WeakPolarHBondContact O-CB 3.46Å; F468-S471 PolarHBondContact O-N 2.93Å; F468-L472 HydrophobicContact CD1-CD1 4.29Å; F468-L472 HydrophobicContact CD1-CG 4.38Å; F468-L472 HydrophobicContact CE1-CD1 3.98Å; F468-L472 HydrophobicContact CE1-CD2 4.09Å; F468-L472 HydrophobicContact CE1-CG 4.12Å; F468-L472 HydrophobicContact CZ-CD2 4.29Å; F468-L472 PolarHBondContact O-N 2.82Å; F468-L472 VanDerWaalsContact O-N 3.11Å; F468-A490 HydrophobicContact CD1-CB 4.39Å; F468-L602 HydrophobicContact CB-CD2 3.35Å; F468-L602 HydrophobicContact CD1-CD2 3.76Å; F468-L602 HydrophobicContact CD2-CD2 3.62Å; F468-L602 HydrophobicContact CE1-CD2 4.45Å; F468-L602 HydrophobicContact CE2-CD2 4.32Å; F468-L602 HydrophobicContact CG-CD2 3.3Å; F468-F606 HydrophobicContact CD1-CE2 4.42Å; F468-F606 AromaticContact CE1-CD2 3.75Å; F468-F606 HydrophobicContact CE1-CD2 3.75Å; F468-F606 AromaticContact CE1-CE2 3.47Å; F468-F606 HydrophobicContact CE1-CE2 3.47Å; F468-F606 VanDerWaalsContact CE1-CE2 3.47Å; F468-F606 HydrophobicContact CE1-CG 4.44Å; F468-F606 AromaticContact CE1-CZ 3.95Å; F468-F606 HydrophobicContact CE1-CZ 3.95Å; F468-F606 HydrophobicContact CE2-CD2 4.31Å; F468-F606 AromaticContact CZ-CD2 3.39Å; F468-F606 HydrophobicContact CZ-CD2 3.39Å; F468-F606 AromaticContact CZ-CE2 3.65Å; F468-F606 HydrophobicContact CZ-CE2 3.65Å; F468-F606 AromaticContact CZ-CG 3.96Å; F468-F606 HydrophobicContact CZ-CG 3.96Å; F468-F606 HydrophobicContact CZ-CZ 4.39Å; F468-A670 HydrophobicContact CB-CB 4.28Å; F468-W763 HydrophobicContact CE2-CB 3.92Å; F468-W763 HydrophobicContact CE2-CD2 4.37Å; F468-W763 HydrophobicContact CE2-CE3 4.39Å; F468-W763 HydrophobicContact CE2-CG 4.15Å; F468-W763 HydrophobicContact CZ-CD2 4.23Å; F468-W763 AromaticContact CZ-CE3 3.97Å; F468-W763 HydrophobicContact CZ-CE3 3.97Å; F468-W763 HydrophobicContact CZ-CG 4.47Å
469	K	97.8	Very high	95.8	Very high	52 Å²	52	45 Å²	45	23%	0.226	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-37.9	178.1	-72.5	175.5	68.6	-174.5	0	112.9	R465 S466 S471 L472 K487 A490 D491	R465-K469 HydrophobicContact CG-CD 4.28Å; R465-K469 WeakPolarHBondContact O-CG 3.36Å; R465-K469 PolarHBondContact O-N 3.28Å; S466-K469 PolarHBondContact O-N 3.1Å; K469-S471 VanDerWaalsContact C-N 3.27Å; K469-S471 PolarHBondContact O-N 2.99Å; K469-L472 WeakPolarHBondContact O-CB 3.42Å; K469-L472 PolarHBondContact O-N 2.89Å; K469-K487 HydrophobicContact CG-CG 4.45Å; K469-A490 HydrophobicContact CD-CB 4.44Å; K469-A490 HydrophobicContact CG-CB 4.05Å; K469-D491 WeakPolarHBondContact CD-OD1 3.26Å; K469-D491 VanDerWaalsContact CE-OD1 3.31Å; K469-D491 WeakPolarHBondContact CE-OD1 3.28Å; K469-D491 WeakPolarHBondContact CE-OD2 3.44Å; K469-D491 IonicContact NZ-OD1 3.8Å; K469-D491 PolarHBondContact NZ-OD1 3.23Å; K469-D491 IonicContact NZ-OD2 3.16Å; K469-D491 PolarHBondContact NZ-OD2 3.34Å
470	Y	95.5	Very high	96	Very high	129 Å²	129	46 Å²	46	51%	0.506	23%	0.233	S	C	.	.	H	α-helix	trans	-65.4	-32.7	174.5	-175.4	-104.1	0	0	0	112.5	S466 F468 R474	S466-Y470 WeakPolarHBondContact O-CB 3.41Å; S466-Y470 PolarHBondContact O-N 3.35Å; F468-Y470 VanDerWaalsContact C-N 3.28Å; F468-Y470 PolarHBondContact O-N 3.23Å; Y470-R474 VanDerWaalsContact CE1-NH2 3.29Å; Y470-R474 PolarHBondContact OH-NH2 3.48Å
471	S	94.5	Very high	96.1	Very high	6 Å²	6	51.6 Å²	51.6	4%	0.042	26%	0.259	C	S	.	.	H	α-helix	trans	-71.2	-33.7	177.4	-58.3	0	0	0	0	111.6	A467 F468 K469 D473 R474 L475 H673	A467-S471 PolarHBondContact O-N 3.01Å; A467-S471 VanDerWaalsContact O-N 3.09Å; A467-S471 PolarHBondContact O-OG 2.95Å; F468-S471 WeakPolarHBondContact O-CA 3.5Å; F468-S471 WeakPolarHBondContact O-CB 3.46Å; F468-S471 PolarHBondContact O-N 2.93Å; K469-S471 VanDerWaalsContact C-N 3.27Å; K469-S471 PolarHBondContact O-N 2.99Å; S471-D473 VanDerWaalsContact C-N 3.26Å; S471-D473 PolarHBondContact O-N 3.31Å; S471-R474 PolarHBondContact O-N 3.34Å; S471-L475 PolarHBondContact O-N 3.25Å; S471-H673 PolarHBondContact OG-ND1 3.36Å
472	L	95.4	Very high	96.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-54.6	-39	175.4	-66.2	176.3	0	0	0	112.7	F468 K469 R474 L475 R483 A486 K487 W763	F468-L472 HydrophobicContact CD1-CD1 4.29Å; F468-L472 HydrophobicContact CD1-CG 4.38Å; F468-L472 HydrophobicContact CE1-CD1 3.98Å; F468-L472 HydrophobicContact CE1-CD2 4.09Å; F468-L472 HydrophobicContact CE1-CG 4.12Å; F468-L472 HydrophobicContact CZ-CD2 4.29Å; F468-L472 PolarHBondContact O-N 2.82Å; F468-L472 VanDerWaalsContact O-N 3.11Å; K469-L472 WeakPolarHBondContact O-CB 3.42Å; K469-L472 PolarHBondContact O-N 2.89Å; L472-R474 PolarHBondContact O-N 3.24Å; L472-R474 VanDerWaalsContact O-N 3.09Å; L472-L475 HydrophobicContact CD2-CD1 3.77Å; L472-L475 PolarHBondContact O-N 2.98Å; L472-L475 VanDerWaalsContact O-N 3.17Å; L472-R483 WeakPolarHBondContact O-CD 3.23Å; L472-A486 HydrophobicContact CD1-CB 3.89Å; L472-A486 HydrophobicContact CD2-CB 4.34Å; L472-K487 HydrophobicContact CD1-CB 4.46Å; L472-K487 HydrophobicContact CD1-CG 3.61Å; L472-W763 HydrophobicContact CD2-CE3 3.88Å; L472-W763 HydrophobicContact CD2-CZ3 3.76Å
473	D	92.4	Very high	96.3	Very high	91 Å²	91	49.7 Å²	49.7	49%	0.487	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.3	178.7	-77.3	-41.5	0	0	0	114.3	S471 K487	S471-D473 VanDerWaalsContact C-N 3.26Å; S471-D473 PolarHBondContact O-N 3.31Å; D473-K487 WeakPolarHBondContact OD1-CE 3.24Å; D473-K487 IonicContact OD1-NZ 3.81Å; D473-K487 PolarHBondContact OD1-NZ 3.24Å; D473-K487 IonicContact OD2-NZ 3.46Å; D473-K487 PolarHBondContact OD2-NZ 3.42Å
474	R	91.3	Very high	96.3	Very high	166 Å²	166	52.9 Å²	52.9	63%	0.626	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-4.8	-176.7	-60.7	174.9	172.8	-161	-4.3	112.6	Y470 S471 L472 S476	Y470-R474 VanDerWaalsContact CE1-NH2 3.29Å; Y470-R474 PolarHBondContact OH-NH2 3.48Å; S471-R474 PolarHBondContact O-N 3.34Å; L472-R474 PolarHBondContact O-N 3.24Å; L472-R474 VanDerWaalsContact O-N 3.09Å; R474-S476 PolarHBondContact O-N 3.42Å
475	L	93.7	Very high	96.3	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.037	27%	0.272	C	S	.	.			trans	-73.5	107.2	178	-66.1	-176.2	0	0	0	110.4	S471 L472 W477 R483 W763	S471-L475 PolarHBondContact O-N 3.25Å; L472-L475 HydrophobicContact CD2-CD1 3.77Å; L472-L475 PolarHBondContact O-N 2.98Å; L472-L475 VanDerWaalsContact O-N 3.17Å; L475-W477 VanDerWaalsContact C-N 3.29Å; L475-W477 HydrophobicContact CD1-CZ2 4.05Å; L475-W477 PolarHBondContact O-N 2.93Å; L475-R483 PolarHBondContact O-NH1 2.77Å; L475-W763 HydrophobicContact CD1-CE3 3.86Å; L475-W763 HydrophobicContact CD1-CZ3 4.1Å
476	S	93.7	Very high	96.3	Very high	106 Å²	106	53.4 Å²	53.4	74%	0.741	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-13.7	-177.2	56.6	0	0	0	0	114.8	R474	R474-S476 PolarHBondContact O-N 3.42Å
477	W	96.1	Very high	96.4	Very high	27 Å²	27	51.3 Å²	51.3	10%	0.102	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-13.9	-173.5	62.6	-96.7	0	0	0	114.2	L475 W623 A630 F631 R634 V762 W763	L475-W477 VanDerWaalsContact C-N 3.29Å; L475-W477 HydrophobicContact CD1-CZ2 4.05Å; L475-W477 PolarHBondContact O-N 2.93Å; W477-W623 HydrophobicContact CH2-CH2 4.13Å; W477-W623 HydrophobicContact CH2-CZ3 4.11Å; W477-W623 HydrophobicContact CZ3-CZ3 4.07Å; W477-A630 HydrophobicContact CB-CB 4.39Å; W477-A630 HydrophobicContact CE3-CB 4.04Å; W477-A630 WeakPolarHBondContact O-CB 3.19Å; W477-F631 HydrophobicContact CH2-CB 4.07Å; W477-F631 AromaticContact CH2-CD2 3.77Å; W477-F631 HydrophobicContact CH2-CD2 3.77Å; W477-F631 HydrophobicContact CH2-CG 4.42Å; W477-F631 HydrophobicContact CZ2-CD2 4.47Å; W477-F631 HydrophobicContact CZ3-CB 3.75Å; W477-F631 HydrophobicContact CZ3-CD2 4.33Å; W477-R634 VanDerWaalsContact CD1-CD 3.43Å; W477-R634 VanDerWaalsContact CG-CD 3.45Å; W477-V762 HydrophobicContact CZ2-CG1 4.27Å; W477-V762 WeakPolarHBondContact CZ2-O 3.35Å; W477-V762 PolarHBondContact NE1-O 3.13Å; W477-W763 AromaticContact CH2-CH2 3.84Å; W477-W763 HydrophobicContact CH2-CH2 3.84Å; W477-W763 HydrophobicContact CH2-CZ2 4.24Å; W477-W763 HydrophobicContact CH2-CZ3 4.15Å; W477-W763 HydrophobicContact CZ2-CE3 4.33Å; W477-W763 HydrophobicContact CZ2-CH2 4.13Å; W477-W763 HydrophobicContact CZ2-CZ2 4.48Å; W477-W763 HydrophobicContact CZ2-CZ3 4.04Å
478	M	96.8	Very high	96.4	Very high	7 Å²	7	54 Å²	54	3%	0.034	27%	0.265	C	S	.	.	S	Bend	trans	-101	152.9	179.9	-170	176	-73.2	0	0	109.5	T482 R483 W623 W763	M478-T482 HydrophobicContact CE-CG2 4.18Å; M478-T482 HydrophobicContact CG-CG2 3.72Å; M478-T482 HydrophobicContact SD-CG2 3.71Å; M478-R483 HydrophobicContact CB-CG 4.07Å; M478-R483 HydrophobicContact CG-CG 3.92Å; M478-R483 PolarHBondContact O-NH1 3.03Å; M478-R483 HydrophobicContact SD-CB 4.29Å; M478-R483 HydrophobicContact SD-CG 3.75Å; M478-R483 PolarHBondContact SD-N 2.8Å; M478-W623 HydrophobicContact CE-CH2 3.96Å; M478-W623 HydrophobicContact CE-CZ2 4.18Å; M478-W623 HydrophobicContact CE-CZ3 4.26Å; M478-W763 HydrophobicContact CE-CH2 3.54Å; M478-W763 HydrophobicContact CE-CZ3 3.53Å
479	D	97.1	Very high	96.4	Very high	37 Å²	37	54 Å²	54	20%	0.198	26%	0.264	C	S	.	.			trans	-84.2	166.1	170.4	61.2	79.2	0	0	0	112.5	E481 T482 R483 Q624 S627	D479-E481 VanDerWaalsContact C-N 3.32Å; D479-E481 PolarHBondContact O-N 3.08Å; D479-E481 WeakPolarHBondContact OD1-CB 3.41Å; D479-E481 PolarHBondContact OD1-N 3.39Å; D479-T482 VanDerWaalsContact CG-OG1 3.27Å; D479-T482 PolarHBondContact O-N 2.63Å; D479-T482 WeakPolarHBondContact OD1-CB 3.45Å; D479-T482 PolarHBondContact OD1-N 3.36Å; D479-T482 PolarHBondContact OD1-OG1 3.32Å; D479-T482 PolarHBondContact OD2-OG1 2.95Å; D479-R483 WeakPolarHBondContact O-CB 3.46Å; D479-R483 WeakPolarHBondContact O-CG 3.47Å; D479-R483 PolarHBondContact O-N 3.47Å; D479-Q624 WeakPolarHBondContact OD2-CB 3.3Å; D479-S627 PolarHBondContact N-OG 2.96Å; D479-S627 VanDerWaalsContact N-OG 3.14Å; D479-S627 PolarHBondContact OD2-OG 2.88Å
480	D	96.9	Very high	96.5	Very high	123 Å²	123	51.5 Å²	51.5	66%	0.658	25%	0.253	S	S	*	.	H	α-helix	trans	-63	-36.1	-176.5	-76.8	-41.1	0	0	0	113.2	R483 Q484	D480-R483 VanDerWaalsContact CG-NH2 3.26Å; D480-R483 IonicContact OD1-CZ 3.68Å; D480-R483 IonicContact OD1-NE 3.28Å; D480-R483 PolarHBondContact OD1-NE 3.09Å; D480-R483 IonicContact OD1-NH2 2.64Å; D480-R483 PolarHBondContact OD1-NH2 3.26Å; D480-R483 IonicContact OD2-NH2 3.82Å; D480-Q484 PolarHBondContact O-N 3.07Å
481	E	97.3	Very high	96.6	Very high	126 Å²	126	49.5 Å²	49.5	59%	0.589	25%	0.251	S	S	*	.	H	α-helix	trans	-68.8	-47.5	-179.2	-175.9	-179.6	-174.3	0	0	110.5	D479 R483 Q484 A485 Q624	D479-E481 VanDerWaalsContact C-N 3.32Å; D479-E481 PolarHBondContact O-N 3.08Å; D479-E481 WeakPolarHBondContact OD1-CB 3.41Å; D479-E481 PolarHBondContact OD1-N 3.39Å; E481-R483 VanDerWaalsContact C-N 3.34Å; E481-R483 PolarHBondContact O-N 3.16Å; E481-Q484 PolarHBondContact O-N 3.01Å; E481-A485 PolarHBondContact O-N 2.75Å; E481-Q624 PolarHBondContact OE2-NE2 3.09Å
482	T	98.1	Very high	96.8	Very high	2 Å²	2	51 Å²	51	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-38.4	176.8	-52.9	0	0	0	0	111.1	M478 D479 Q484 A485 A486 W623 Q624	M478-T482 HydrophobicContact CE-CG2 4.18Å; M478-T482 HydrophobicContact CG-CG2 3.72Å; M478-T482 HydrophobicContact SD-CG2 3.71Å; D479-T482 VanDerWaalsContact CG-OG1 3.27Å; D479-T482 PolarHBondContact O-N 2.63Å; D479-T482 WeakPolarHBondContact OD1-CB 3.45Å; D479-T482 PolarHBondContact OD1-N 3.36Å; D479-T482 PolarHBondContact OD1-OG1 3.32Å; D479-T482 PolarHBondContact OD2-OG1 2.95Å; T482-Q484 PolarHBondContact O-N 3.24Å; T482-A485 PolarHBondContact O-N 3.48Å; T482-A486 WeakPolarHBondContact O-CB 3.49Å; T482-A486 PolarHBondContact O-N 3.24Å; T482-W623 HydrophobicContact CG2-CB 3.94Å; T482-W623 HydrophobicContact CG2-CD2 3.51Å; T482-W623 HydrophobicContact CG2-CE3 4.09Å; T482-W623 HydrophobicContact CG2-CG 3.42Å; T482-W623 VanDerWaalsContact CG2-CG 3.42Å; T482-Q624 PolarHBondContact OG1-N 2.59Å
483	R	98	Very high	96.9	Very high	35 Å²	35	51.5 Å²	51.5	13%	0.132	27%	0.267	C	S	.	.	H	α-helix	trans	-59	-45.8	172.7	-83	-170.1	-74.6	-88.5	-8.8	111.9	L472 L475 M478 D479 D480 E481 A486 K487	L472-R483 WeakPolarHBondContact O-CD 3.23Å; L475-R483 PolarHBondContact O-NH1 2.77Å; M478-R483 HydrophobicContact CB-CG 4.07Å; M478-R483 HydrophobicContact CG-CG 3.92Å; M478-R483 PolarHBondContact O-NH1 3.03Å; M478-R483 HydrophobicContact SD-CB 4.29Å; M478-R483 HydrophobicContact SD-CG 3.75Å; M478-R483 PolarHBondContact SD-N 2.8Å; D479-R483 WeakPolarHBondContact O-CB 3.46Å; D479-R483 WeakPolarHBondContact O-CG 3.47Å; D479-R483 PolarHBondContact O-N 3.47Å; D480-R483 VanDerWaalsContact CG-NH2 3.26Å; D480-R483 IonicContact OD1-CZ 3.68Å; D480-R483 IonicContact OD1-NE 3.28Å; D480-R483 PolarHBondContact OD1-NE 3.09Å; D480-R483 IonicContact OD1-NH2 2.64Å; D480-R483 PolarHBondContact OD1-NH2 3.26Å; D480-R483 IonicContact OD2-NH2 3.82Å; E481-R483 VanDerWaalsContact C-N 3.34Å; E481-R483 PolarHBondContact O-N 3.16Å; R483-A486 PolarHBondContact O-N 3.39Å; R483-K487 WeakPolarHBondContact O-CG 3.47Å; R483-K487 PolarHBondContact O-N 3.13Å; R483-K487 VanDerWaalsContact O-N 3.07Å
484	Q	97.9	Very high	97.1	Very high	97 Å²	97	51.6 Å²	51.6	45%	0.453	26%	0.261	S	S	.	.	H	α-helix	trans	-66	-43.6	179.3	-173.8	57.3	52.5	0	0	111	D480 E481 T482 A486 K487 D488	D480-Q484 PolarHBondContact O-N 3.07Å; E481-Q484 PolarHBondContact O-N 3.01Å; T482-Q484 PolarHBondContact O-N 3.24Å; Q484-A486 VanDerWaalsContact C-N 3.28Å; Q484-A486 PolarHBondContact O-N 3.46Å; Q484-K487 WeakPolarHBondContact O-CB 3.48Å; Q484-K487 PolarHBondContact O-N 2.91Å; Q484-D488 PolarHBondContact NE2-OD1 3.46Å; Q484-D488 PolarHBondContact O-N 3.36Å
485	A	98.3	Very high	97.2	Very high	28 Å²	28	45.8 Å²	45.8	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-37.2	175.9	0	0	0	0	0	112.2	E481 T482 D488 K489 W622	E481-A485 PolarHBondContact O-N 2.75Å; T482-A485 PolarHBondContact O-N 3.48Å; A485-D488 PolarHBondContact O-N 2.97Å; A485-K489 PolarHBondContact O-N 2.91Å; A485-W622 HydrophobicContact CB-CE3 3.68Å; A485-W622 HydrophobicContact CB-CZ3 3.82Å
486	A	98.5	Very high	97.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-37.8	176.3	0	0	0	0	0	112	L472 T482 R483 Q484 K489 A490 F606 W622	L472-A486 HydrophobicContact CD1-CB 3.89Å; L472-A486 HydrophobicContact CD2-CB 4.34Å; T482-A486 WeakPolarHBondContact O-CB 3.49Å; T482-A486 PolarHBondContact O-N 3.24Å; R483-A486 PolarHBondContact O-N 3.39Å; Q484-A486 VanDerWaalsContact C-N 3.28Å; Q484-A486 PolarHBondContact O-N 3.46Å; A486-K489 PolarHBondContact O-N 3.33Å; A486-A490 WeakPolarHBondContact O-CB 3.41Å; A486-A490 PolarHBondContact O-N 3.15Å; A486-F606 HydrophobicContact CB-CD1 4.4Å; A486-F606 HydrophobicContact CB-CE1 3.92Å; A486-F606 WeakPolarHBondContact O-CE1 3.38Å; A486-F606 WeakPolarHBondContact O-CZ 3.27Å; A486-W622 HydrophobicContact CB-CH2 4.45Å; A486-W622 HydrophobicContact CB-CZ3 4.36Å
487	K	98.5	Very high	97.2	Very high	30 Å²	30	41 Å²	41	13%	0.13	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-45.8	171.8	-71	174.4	179.1	-176	0	111.8	K469 L472 D473 R483 Q484 K489 A490 D491	K469-K487 HydrophobicContact CG-CG 4.45Å; L472-K487 HydrophobicContact CD1-CB 4.46Å; L472-K487 HydrophobicContact CD1-CG 3.61Å; D473-K487 WeakPolarHBondContact OD1-CE 3.24Å; D473-K487 IonicContact OD1-NZ 3.81Å; D473-K487 PolarHBondContact OD1-NZ 3.24Å; D473-K487 IonicContact OD2-NZ 3.46Å; D473-K487 PolarHBondContact OD2-NZ 3.42Å; R483-K487 WeakPolarHBondContact O-CG 3.47Å; R483-K487 PolarHBondContact O-N 3.13Å; R483-K487 VanDerWaalsContact O-N 3.07Å; Q484-K487 WeakPolarHBondContact O-CB 3.48Å; Q484-K487 PolarHBondContact O-N 2.91Å; K487-K489 VanDerWaalsContact C-N 3.27Å; K487-K489 PolarHBondContact O-N 3.47Å; K487-A490 PolarHBondContact O-N 3Å; K487-D491 PolarHBondContact O-N 2.93Å
488	D	98.6	Very high	97.2	Very high	63 Å²	63	39.8 Å²	39.8	34%	0.337	20%	0.204	S	C	.	.	H	α-helix	trans	-61.9	-37.6	178.7	-67.7	0.7	0	0	0	111.3	Q484 A485 A492 K615	Q484-D488 PolarHBondContact NE2-OD1 3.46Å; Q484-D488 PolarHBondContact O-N 3.36Å; A485-D488 PolarHBondContact O-N 2.97Å; D488-A492 WeakPolarHBondContact O-CB 3.48Å; D488-A492 PolarHBondContact O-N 3.26Å; D488-K615 HydrophobicContact CB-CD 4.39Å
489	K	98.6	Very high	97.1	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-46.7	172.7	-179.3	172.2	-172.7	-173.8	0	112.1	A485 A486 K487 D491 A492 I493 N567 A605 F606 G610 Y613 K615 W622	A485-K489 PolarHBondContact O-N 2.91Å; A486-K489 PolarHBondContact O-N 3.33Å; K487-K489 VanDerWaalsContact C-N 3.27Å; K487-K489 PolarHBondContact O-N 3.47Å; K489-D491 VanDerWaalsContact C-N 3.25Å; K489-D491 PolarHBondContact O-N 2.84Å; K489-A492 PolarHBondContact O-N 3.49Å; K489-I493 PolarHBondContact O-N 2.81Å; K489-N567 PolarHBondContact O-ND2 3.25Å; K489-A605 WeakPolarHBondContact CE-O 3.29Å; K489-A605 PolarHBondContact NZ-O 3.43Å; K489-F606 HydrophobicContact CB-CE1 4.02Å; K489-F606 HydrophobicContact CB-CZ 4.13Å; K489-F606 HydrophobicContact CD-CD1 4.46Å; K489-F606 HydrophobicContact CD-CE1 3.85Å; K489-F606 HydrophobicContact CD-CZ 4.23Å; K489-F606 HydrophobicContact CG-CE1 4.06Å; K489-F606 HydrophobicContact CG-CZ 4.04Å; K489-G610 PolarHBondContact NZ-O 3.45Å; K489-Y613 WeakPolarHBondContact CE-O 3.4Å; K489-Y613 PolarHBondContact NZ-O 3.38Å; K489-K615 HydrophobicContact CB-CB 4.01Å; K489-K615 HydrophobicContact CG-CB 4.23Å; K489-W622 HydrophobicContact CB-CH2 4.33Å; K489-W622 HydrophobicContact CD-CH2 3.79Å; K489-W622 HydrophobicContact CD-CZ2 3.68Å
490	A	98.4	Very high	97	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-35.9	178.5	0	0	0	0	0	112.3	R465 F468 K469 A486 K487 A492 I493 F606	R465-A490 WeakPolarHBondContact CD-O 3.44Å; R465-A490 PolarHBondContact NE-O 3.37Å; R465-A490 VanDerWaalsContact NE-O 3.15Å; F468-A490 HydrophobicContact CD1-CB 4.39Å; K469-A490 HydrophobicContact CD-CB 4.44Å; K469-A490 HydrophobicContact CG-CB 4.05Å; A486-A490 WeakPolarHBondContact O-CB 3.41Å; A486-A490 PolarHBondContact O-N 3.15Å; K487-A490 PolarHBondContact O-N 3Å; A490-A492 VanDerWaalsContact C-N 3.32Å; A490-I493 PolarHBondContact O-N 3.35Å; A490-F606 HydrophobicContact CB-CE2 4.29Å; A490-F606 HydrophobicContact CB-CZ 3.91Å
491	D	98.2	Very high	96.7	Very high	87 Å²	87	38.7 Å²	38.7	47%	0.465	19%	0.194	S	C	.	.	H	α-helix	trans	-70	-27.8	174.7	-77.7	-26.4	0	0	0	113.2	K469 K487 K489	K469-D491 WeakPolarHBondContact CD-OD1 3.26Å; K469-D491 VanDerWaalsContact CE-OD1 3.31Å; K469-D491 WeakPolarHBondContact CE-OD1 3.28Å; K469-D491 WeakPolarHBondContact CE-OD2 3.44Å; K469-D491 IonicContact NZ-OD1 3.8Å; K469-D491 PolarHBondContact NZ-OD1 3.23Å; K469-D491 IonicContact NZ-OD2 3.16Å; K469-D491 PolarHBondContact NZ-OD2 3.34Å; K487-D491 PolarHBondContact O-N 2.93Å; K489-D491 VanDerWaalsContact C-N 3.25Å; K489-D491 PolarHBondContact O-N 2.84Å
492	A	98.3	Very high	96.6	Very high	39 Å²	39	34.8 Å²	34.8	32%	0.322	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.7	178.9	0	0	0	0	0	113.8	D488 K489 A490 Y494 N567 K615	D488-A492 WeakPolarHBondContact O-CB 3.48Å; D488-A492 PolarHBondContact O-N 3.26Å; K489-A492 PolarHBondContact O-N 3.49Å; A490-A492 VanDerWaalsContact C-N 3.32Å; A492-Y494 PolarHBondContact O-N 3.05Å; A492-N567 PolarHBondContact O-ND2 3.39Å; A492-K615 HydrophobicContact CB-CB 3.89Å
493	I	98.1	Very high	96.5	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.051	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-62.7	126.5	177.3	-68.9	171	0	0	0	109.3	K489 A490 N567 I569 L602 A605 F606	K489-I493 PolarHBondContact O-N 2.81Å; A490-I493 PolarHBondContact O-N 3.35Å; I493-N567 CarbonylContact C-O 2.89Å; I493-N567 VanDerWaalsContact CA-O 3.28Å; I493-N567 WeakPolarHBondContact CA-O 3.45Å; I493-N567 WeakPolarHBondContact CG1-OD1 3.48Å; I493-I569 HydrophobicContact CG2-CB 4.41Å; I493-I569 HydrophobicContact CG2-CD1 3.89Å; I493-I569 HydrophobicContact CG2-CG1 3.76Å; I493-I569 HydrophobicContact CG2-CG2 3.99Å; I493-L602 HydrophobicContact CD1-CD1 3.71Å; I493-L602 HydrophobicContact CD1-CG 4.07Å; I493-A605 HydrophobicContact CD1-CB 3.89Å; I493-F606 HydrophobicContact CD1-CE2 4.38Å
494	Y	96	Very high	96.3	Very high	93 Å²	93	36.4 Å²	36.4	37%	0.365	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	128.1	177.6	-172.2	-114.7	0	0	0	111.2	A492 M496 K548 D549 N567 G568 I569	A492-Y494 PolarHBondContact O-N 3.05Å; Y494-M496 HydrophobicContact CD1-CE 4.06Å; Y494-M496 HydrophobicContact CD1-CG 3.88Å; Y494-M496 HydrophobicContact CD1-SD 4.32Å; Y494-M496 HydrophobicContact CE1-CE 4.4Å; Y494-M496 HydrophobicContact CE1-CG 3.63Å; Y494-M496 HydrophobicContact CE1-SD 4.08Å; Y494-K548 HydrophobicContact CD1-CB 4.43Å; Y494-K548 HydrophobicContact CE1-CB 4.32Å; Y494-D549 PolarHBondContact OH-OD1 3.14Å; Y494-N567 PolarHBondContact N-O 3.5Å; Y494-G568 CarbonylContact O-C 3.53Å; Y494-G568 WeakPolarHBondContact O-CA 3.29Å; Y494-I569 PolarHBondContact O-N 2.87Å
495	D	93.6	Very high	96.2	Very high	43 Å²	43	35.2 Å²	35.2	23%	0.23	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.8	-175.4	-59	-30.1	0	0	0	111	R465 I569	R465-D495 IonicContact CZ-OD1 2.67Å; R465-D495 IonicContact CZ-OD2 2.75Å; R465-D495 IonicContact NH1-OD2 3.66Å; R465-D495 PolarHBondContact NH1-OD2 3.32Å; R465-D495 IonicContact NH2-OD1 2.69Å; R465-D495 PolarHBondContact NH2-OD1 2.84Å; R465-D495 IonicContact NH2-OD2 2.7Å; R465-D495 PolarHBondContact NH2-OD2 3.01Å; D495-I569 VanDerWaalsContact OD1-CD1 3.25Å; D495-I569 WeakPolarHBondContact OD1-CD1 3.16Å; D495-I569 VanDerWaalsContact OD1-CG1 3.28Å; D495-I569 WeakPolarHBondContact OD1-CG1 3.43Å
496	M	94.4	Very high	96.1	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.039	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.9	175	-74.7	-177.9	-86.9	0	0	110	Y494 W551 I569 V570 F571	Y494-M496 HydrophobicContact CD1-CE 4.06Å; Y494-M496 HydrophobicContact CD1-CG 3.88Å; Y494-M496 HydrophobicContact CD1-SD 4.32Å; Y494-M496 HydrophobicContact CE1-CE 4.4Å; Y494-M496 HydrophobicContact CE1-CG 3.63Å; Y494-M496 HydrophobicContact CE1-SD 4.08Å; M496-W551 HydrophobicContact CB-CH2 4.19Å; M496-W551 HydrophobicContact CB-CZ2 3.57Å; M496-W551 HydrophobicContact CG-CZ2 4.31Å; M496-W551 HydrophobicContact SD-CG 4.43Å; M496-W551 PolarHBondContact SD-NE1 3Å; M496-I569 PolarHBondContact N-O 2.94Å; M496-V570 HydrophobicContact CB-CB 4.28Å; M496-V570 HydrophobicContact CB-CG1 4.02Å; M496-V570 HydrophobicContact CB-CG2 3.94Å; M496-V570 HydrophobicContact CE-CG2 3.34Å; M496-V570 CarbonylContact O-C 3.49Å; M496-V570 WeakPolarHBondContact O-CA 3.15Å; M496-V570 HydrophobicContact SD-CG2 4.14Å; M496-F571 PolarHBondContact O-N 2.78Å
497	I	94.2	Very high	96	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.4	-168.8	-65.5	169.5	0	0	0	110.7	K454 A457 E458 I461 F499 F571 L576	K454-I497 HydrophobicContact CG-CB 4.48Å; K454-I497 HydrophobicContact CG-CG2 4.1Å; A457-I497 HydrophobicContact CB-CD1 4.26Å; A457-I497 HydrophobicContact CB-CG2 3.79Å; E458-I497 HydrophobicContact CB-CD1 4.29Å; E458-I497 HydrophobicContact CG-CD1 3.52Å; I461-I497 HydrophobicContact CG2-CD1 4.27Å; I497-F499 PolarHBondContact O-N 3.37Å; I497-F571 HydrophobicContact CG1-CD2 4.12Å; I497-L576 HydrophobicContact CG2-CD1 3.78Å
498	G	94.4	Very high	95.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81	-73.9	177.9	0	0	0	0	0	112.6	F571 P572 A573	G498-F571 PolarHBondContact N-O 3.28Å; G498-P572 CarbonylContact O-C 3.48Å; G498-A573 PolarHBondContact O-N 2.96Å
499	F	95.1	Very high	95.8	Very high	19 Å²	19	43.7 Å²	43.7	8%	0.083	22%	0.218	C	C	.	.			trans	-160.6	156.9	-172.7	57.9	-87.4	0	0	0	112.2	V445 F449 I497 I503 L504 W551 P555	V445-F499 HydrophobicContact CB-CD1 4.16Å; V445-F499 HydrophobicContact CB-CG 4.44Å; V445-F499 HydrophobicContact CG1-CD1 3.33Å; V445-F499 HydrophobicContact CG1-CD2 4.24Å; V445-F499 HydrophobicContact CG1-CE1 3.3Å; V445-F499 HydrophobicContact CG1-CE2 4.23Å; V445-F499 HydrophobicContact CG1-CG 3.83Å; V445-F499 HydrophobicContact CG1-CZ 3.78Å; V445-F499 HydrophobicContact CG2-CB 3.83Å; V445-F499 HydrophobicContact CG2-CD1 3.67Å; V445-F499 HydrophobicContact CG2-CE1 4.48Å; V445-F499 HydrophobicContact CG2-CG 3.84Å; F449-F499 HydrophobicContact CD1-CD1 4.06Å; F449-F499 AromaticContact CD1-CE1 3.51Å; F449-F499 HydrophobicContact CD1-CE1 3.51Å; F449-F499 HydrophobicContact CE1-CD1 4.26Å; F449-F499 AromaticContact CE1-CE1 3.78Å; F449-F499 HydrophobicContact CE1-CE1 3.78Å; F449-F499 HydrophobicContact CG-CD1 4.48Å; F449-F499 HydrophobicContact CG-CE1 4.27Å; I497-F499 PolarHBondContact O-N 3.37Å; F499-I503 HydrophobicContact CB-CD1 3.64Å; F499-I503 HydrophobicContact CD2-CD1 4.04Å; F499-I503 HydrophobicContact CD2-CG1 4.1Å; F499-I503 HydrophobicContact CG-CD1 4.11Å; F499-L504 HydrophobicContact CD2-CD1 4.31Å; F499-L504 HydrophobicContact CD2-CG 4.29Å; F499-L504 HydrophobicContact CE2-CD1 3.36Å; F499-L504 HydrophobicContact CE2-CG 3.78Å; F499-L504 HydrophobicContact CZ-CD1 3.66Å; F499-L504 HydrophobicContact CZ-CG 4.47Å; F499-W551 VanDerWaalsContact CA-CH2 3.49Å; F499-W551 VanDerWaalsContact N-CH2 3.31Å; F499-P555 HydrophobicContact CB-CB 4.11Å; F499-P555 HydrophobicContact CB-CG 3.83Å
500	P	94.6	Very high	95.8	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.045	23%	0.229	C	C	.	.			trans	-75.1	134.7	170.7	24.7	-24.3	0	0	0	111.1	F438 F502 I503 W551	F438-P500 HydrophobicContact CD1-CG 4.24Å; F438-P500 HydrophobicContact CE1-CG 4.18Å; P500-F502 HydrophobicContact CB-CD1 3.65Å; P500-F502 HydrophobicContact CB-CE1 3.6Å; P500-F502 HydrophobicContact CG-CD1 4.02Å; P500-F502 HydrophobicContact CG-CE1 3.51Å; P500-F502 HydrophobicContact CG-CZ 4.26Å; P500-F502 PolarHBondContact O-N 3.19Å; P500-F502 VanDerWaalsContact O-N 3.13Å; P500-I503 HydrophobicContact CG-CG2 3.94Å; P500-I503 WeakPolarHBondContact O-CG1 3.43Å; P500-I503 PolarHBondContact O-N 3.13Å; P500-W551 HydrophobicContact CB-CG 4.4Å; P500-W551 HydrophobicContact CG-CD2 4.15Å; P500-W551 HydrophobicContact CG-CG 4.08Å
501	E	92.6	Very high	95.7	Very high	118 Å²	118	50.5 Å²	50.5	55%	0.551	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-58.3	-31.4	-171.4	-62.7	-66.5	158.9	0	0	113.7	K454 I503 L504	K454-E501 IonicContact NZ-OE1 3.86Å; K454-E501 PolarHBondContact NZ-OE1 3.28Å; E501-I503 PolarHBondContact O-N 2.57Å; E501-I503 VanDerWaalsContact O-N 3.09Å; E501-L504 PolarHBondContact O-N 2.64Å; E501-L504 VanDerWaalsContact O-N 3.12Å
502	F	94.6	Very high	95.5	Very high	45 Å²	45	49.2 Å²	49.2	20%	0.197	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-58.1	-27	-177.6	81.7	-97	0	0	0	113.6	F438 P500 L504 D505 E508 L509 V512	F438-F502 HydrophobicContact CB-CE2 4.5Å; F438-F502 HydrophobicContact CB-CZ 4.23Å; F438-F502 HydrophobicContact CD1-CZ 4.17Å; F438-F502 HydrophobicContact CD2-CZ 4.39Å; F438-F502 HydrophobicContact CG-CZ 4.01Å; P500-F502 HydrophobicContact CB-CD1 3.65Å; P500-F502 HydrophobicContact CB-CE1 3.6Å; P500-F502 HydrophobicContact CG-CD1 4.02Å; P500-F502 HydrophobicContact CG-CE1 3.51Å; P500-F502 HydrophobicContact CG-CZ 4.26Å; P500-F502 PolarHBondContact O-N 3.19Å; P500-F502 VanDerWaalsContact O-N 3.13Å; F502-L504 PolarHBondContact O-N 3.2Å; F502-D505 PolarHBondContact O-N 3.5Å; F502-D505 VanDerWaalsContact O-N 3.13Å; F502-E508 VanDerWaalsContact CA-OE2 3.32Å; F502-E508 WeakPolarHBondContact CA-OE2 3.44Å; F502-E508 HydrophobicContact CB-CB 4.04Å; F502-E508 WeakPolarHBondContact CB-OE2 3.12Å; F502-L509 HydrophobicContact CE2-CD1 4.28Å; F502-V512 HydrophobicContact CD2-CG2 4.07Å; F502-V512 HydrophobicContact CE2-CB 4.44Å; F502-V512 HydrophobicContact CE2-CG2 3.68Å; F502-V512 HydrophobicContact CZ-CG2 4.39Å
503	I	95.7	Very high	95.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-70	-17.3	-176.8	76.4	179.4	0	0	0	112.6	F438 A442 V445 F499 P500 E501 L509 P555	F438-I503 HydrophobicContact CB-CG2 4.05Å; F438-I503 HydrophobicContact CD1-CG2 4.27Å; A442-I503 HydrophobicContact CB-CB 4.18Å; A442-I503 HydrophobicContact CB-CG1 4.32Å; A442-I503 VanDerWaalsContact CB-O 3.25Å; A442-I503 WeakPolarHBondContact CB-O 3.39Å; V445-I503 HydrophobicContact CG2-CD1 4.3Å; F499-I503 HydrophobicContact CB-CD1 3.64Å; F499-I503 HydrophobicContact CD2-CD1 4.04Å; F499-I503 HydrophobicContact CD2-CG1 4.1Å; F499-I503 HydrophobicContact CG-CD1 4.11Å; P500-I503 HydrophobicContact CG-CG2 3.94Å; P500-I503 WeakPolarHBondContact O-CG1 3.43Å; P500-I503 PolarHBondContact O-N 3.13Å; E501-I503 PolarHBondContact O-N 2.57Å; E501-I503 VanDerWaalsContact O-N 3.09Å; I503-L509 HydrophobicContact CB-CD1 4.44Å; I503-L509 HydrophobicContact CG2-CD1 4.5Å; I503-P555 HydrophobicContact CD1-CG 3.68Å
504	L	94	Very high	95.3	Very high	70 Å²	70	53.4 Å²	53.4	37%	0.366	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-91.3	-10.3	176.9	-61.9	-171.3	0	0	0	112.7	V445 K446 F499 E501 F502 P506	V445-L504 HydrophobicContact CG1-CD2 4.26Å; K446-L504 HydrophobicContact CG-CD2 4.2Å; F499-L504 HydrophobicContact CD2-CD1 4.31Å; F499-L504 HydrophobicContact CD2-CG 4.29Å; F499-L504 HydrophobicContact CE2-CD1 3.36Å; F499-L504 HydrophobicContact CE2-CG 3.78Å; F499-L504 HydrophobicContact CZ-CD1 3.66Å; F499-L504 HydrophobicContact CZ-CG 4.47Å; E501-L504 PolarHBondContact O-N 2.64Å; E501-L504 VanDerWaalsContact O-N 3.12Å; F502-L504 PolarHBondContact O-N 3.2Å; L504-P506 WeakPolarHBondContact O-CD 3.36Å
505	D	96.1	Very high	95.2	Very high	71 Å²	71	51 Å²	51	38%	0.38	27%	0.27	S	S	.	.	S	Bend	trans	-92	112.7	168.5	-170.5	-46.1	0	0	0	109.2	F502 K507 E508 L509	F502-D505 PolarHBondContact O-N 3.5Å; F502-D505 VanDerWaalsContact O-N 3.13Å; D505-K507 PolarHBondContact O-N 3.09Å; D505-K507 VanDerWaalsContact O-N 3.15Å; D505-K507 WeakPolarHBondContact OD1-CB 3.22Å; D505-K507 PolarHBondContact OD1-N 2.92Å; D505-E508 HydrophobicContact CB-CB 4.13Å; D505-E508 HydrophobicContact CB-CG 4.03Å; D505-E508 PolarHBondContact O-N 3.16Å; D505-E508 PolarHBondContact OD1-N 3.39Å; D505-L509 WeakPolarHBondContact O-CB 3.4Å; D505-L509 PolarHBondContact O-N 3.29Å
506	P	95.6	Very high	95.4	Very high	55 Å²	55	48.9 Å²	48.9	36%	0.357	26%	0.259	S	S	.	.	H	α-helix	trans	-56	-33.2	-178.8	-27.3	36	0	0	0	113.8	L504 D510	L504-P506 WeakPolarHBondContact O-CD 3.36Å; P506-D510 VanDerWaalsContact O-CB 3.31Å; P506-D510 WeakPolarHBondContact O-CB 3.41Å; P506-D510 PolarHBondContact O-N 3.38Å
507	K	96.8	Very high	95.5	Very high	145 Å²	145	54.4 Å²	54.4	63%	0.63	28%	0.284	S	S	*	.	H	α-helix	trans	-74.5	-47.8	-178	-174.7	-172.4	171.5	-164.1	0	110.8	D505 L509 D510 D511	D505-K507 PolarHBondContact O-N 3.09Å; D505-K507 VanDerWaalsContact O-N 3.15Å; D505-K507 WeakPolarHBondContact OD1-CB 3.22Å; D505-K507 PolarHBondContact OD1-N 2.92Å; K507-L509 VanDerWaalsContact C-N 3.28Å; K507-L509 PolarHBondContact O-N 3.27Å; K507-D510 PolarHBondContact O-N 3.42Å; K507-D511 WeakPolarHBondContact O-CB 3.47Å; K507-D511 VanDerWaalsContact O-CG 3.22Å; K507-D511 PolarHBondContact O-N 2.9Å
508	E	96.5	Very high	95.6	Very high	98 Å²	98	55.4 Å²	55.4	46%	0.458	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-37.5	178.4	-60.5	-169.2	164.5	0	0	111.3	F502 D505 D511 V512	F502-E508 VanDerWaalsContact CA-OE2 3.32Å; F502-E508 WeakPolarHBondContact CA-OE2 3.44Å; F502-E508 HydrophobicContact CB-CB 4.04Å; F502-E508 WeakPolarHBondContact CB-OE2 3.12Å; D505-E508 HydrophobicContact CB-CB 4.13Å; D505-E508 HydrophobicContact CB-CG 4.03Å; D505-E508 PolarHBondContact O-N 3.16Å; D505-E508 PolarHBondContact OD1-N 3.39Å; E508-D511 PolarHBondContact O-N 2.99Å; E508-V512 WeakPolarHBondContact O-CG2 3.43Å; E508-V512 PolarHBondContact O-N 3.41Å
509	L	96.9	Very high	95.6	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-42.4	174.2	-176.4	62.9	0	0	0	112.3	A168 E169 F438 A439 A442 F502 I503 D505 K507 V512 Y513	A168-L509 HydrophobicContact CB-CD2 4.25Å; A168-L509 HydrophobicContact CB-CG 3.87Å; E169-L509 HydrophobicContact CG-CD2 4.38Å; F438-L509 HydrophobicContact CB-CD1 4.44Å; A439-L509 HydrophobicContact CB-CD1 4.23Å; A439-L509 HydrophobicContact CB-CD2 4.31Å; A442-L509 HydrophobicContact CB-CD2 3.91Å; F502-L509 HydrophobicContact CE2-CD1 4.28Å; I503-L509 HydrophobicContact CB-CD1 4.44Å; I503-L509 HydrophobicContact CG2-CD1 4.5Å; D505-L509 WeakPolarHBondContact O-CB 3.4Å; D505-L509 PolarHBondContact O-N 3.29Å; K507-L509 VanDerWaalsContact C-N 3.28Å; K507-L509 PolarHBondContact O-N 3.27Å; L509-V512 PolarHBondContact O-N 3.38Å; L509-Y513 HydrophobicContact CD1-CD2 4.31Å; L509-Y513 HydrophobicContact CD1-CE2 3.88Å; L509-Y513 WeakPolarHBondContact O-CD2 3.36Å
510	D	97.8	Very high	95.4	Very high	42 Å²	42	61.2 Å²	61.2	23%	0.225	33%	0.326	C	S	.	.	H	α-helix	trans	-66.7	-39.4	177.3	-73.4	-9.8	0	0	0	111.5	S166 E167 A168 P506 K507 V512 Y513 D514	S166-D510 WeakPolarHBondContact CB-OD1 3.49Å; S166-D510 PolarHBondContact OG-OD1 3.44Å; E167-D510 VanDerWaalsContact N-CG 3.28Å; E167-D510 PolarHBondContact N-OD1 2.99Å; E167-D510 PolarHBondContact N-OD2 3Å; A168-D510 WeakPolarHBondContact CB-OD1 3.45Å; A168-D510 PolarHBondContact N-OD1 2.88Å; P506-D510 VanDerWaalsContact O-CB 3.31Å; P506-D510 WeakPolarHBondContact O-CB 3.41Å; P506-D510 PolarHBondContact O-N 3.38Å; K507-D510 PolarHBondContact O-N 3.42Å; D510-V512 VanDerWaalsContact C-N 3.26Å; D510-V512 PolarHBondContact O-N 3.03Å; D510-Y513 CarbonylContact O-C 3.53Å; D510-Y513 PolarHBondContact O-N 3.27Å; D510-Y513 VanDerWaalsContact O-N 3.11Å; D510-D514 PolarHBondContact O-N 3.44Å; D510-D514 VanDerWaalsContact O-N 3.12Å
511	D	95.9	Very high	95.2	Very high	102 Å²	102	66.1 Å²	66.1	55%	0.545	35%	0.352	S	S	.	.	H	α-helix	trans	-60.6	-33.8	176.2	-71.3	-18.3	0	0	0	111.9	K507 E508 Y513 D514	K507-D511 WeakPolarHBondContact O-CB 3.47Å; K507-D511 VanDerWaalsContact O-CG 3.22Å; K507-D511 PolarHBondContact O-N 2.9Å; E508-D511 PolarHBondContact O-N 2.99Å; D511-Y513 VanDerWaalsContact C-N 3.29Å; D511-Y513 PolarHBondContact O-N 3.04Å; D511-D514 PolarHBondContact O-N 3.37Å
512	V	94.4	Very high	95.3	Very high	61 Å²	61	61.7 Å²	61.7	37%	0.37	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-33.5	176.4	166.9	0	0	0	0	112.3	F502 E508 L509 D510 F533	F502-V512 HydrophobicContact CD2-CG2 4.07Å; F502-V512 HydrophobicContact CE2-CB 4.44Å; F502-V512 HydrophobicContact CE2-CG2 3.68Å; F502-V512 HydrophobicContact CZ-CG2 4.39Å; E508-V512 WeakPolarHBondContact O-CG2 3.43Å; E508-V512 PolarHBondContact O-N 3.41Å; L509-V512 PolarHBondContact O-N 3.38Å; D510-V512 VanDerWaalsContact C-N 3.26Å; D510-V512 PolarHBondContact O-N 3.03Å; V512-F533 VanDerWaalsContact O-CZ 3.32Å; V512-F533 WeakPolarHBondContact O-CZ 3.31Å
513	Y	96.5	Very high	95.4	Very high	11 Å²	11	59.8 Å²	59.8	4%	0.043	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	18	-177.7	-63.6	-73.1	0	0	0	112.9	A168 K171 L436 F438 A439 L509 D510 D511 Y516 F533	A168-Y513 HydrophobicContact CB-CD2 3.6Å; A168-Y513 HydrophobicContact CB-CE2 4.32Å; A168-Y513 HydrophobicContact CB-CG 4.34Å; K171-Y513 PolarHBondContact NZ-O 3.13Å; L436-Y513 VanDerWaalsContact C-OH 3.29Å; L436-Y513 HydrophobicContact CD2-CD1 3.46Å; L436-Y513 VanDerWaalsContact CD2-CD1 3.46Å; L436-Y513 HydrophobicContact CD2-CE1 3.44Å; L436-Y513 VanDerWaalsContact CD2-CE1 3.44Å; L436-Y513 HydrophobicContact CD2-CG 4.02Å; L436-Y513 PolarHBondContact O-OH 3.21Å; F438-Y513 HydrophobicContact CB-CE2 4.43Å; F438-Y513 WeakPolarHBondContact CB-OH 3.35Å; F438-Y513 PolarHBondContact N-OH 3.01Å; A439-Y513 HydrophobicContact CB-CD2 4.37Å; A439-Y513 HydrophobicContact CB-CE2 3.75Å; A439-Y513 PolarHBondContact N-OH 2.72Å; L509-Y513 HydrophobicContact CD1-CD2 4.31Å; L509-Y513 HydrophobicContact CD1-CE2 3.88Å; L509-Y513 WeakPolarHBondContact O-CD2 3.36Å; D510-Y513 CarbonylContact O-C 3.53Å; D510-Y513 PolarHBondContact O-N 3.27Å; D510-Y513 VanDerWaalsContact O-N 3.11Å; D511-Y513 VanDerWaalsContact C-N 3.29Å; D511-Y513 PolarHBondContact O-N 3.04Å; Y513-Y516 PolarHBondContact O-N 3.09Å; Y513-F533 HydrophobicContact CD1-CE1 4.3Å; Y513-F533 HydrophobicContact CD1-CZ 4.34Å
514	D	95.4	Very high	95.5	Very high	125 Å²	125	60.3 Å²	60.3	67%	0.668	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	135.7	174	-174.5	33.7	0	0	0	110.8	D510 D511 Y516 F533	D510-D514 PolarHBondContact O-N 3.44Å; D510-D514 VanDerWaalsContact O-N 3.12Å; D511-D514 PolarHBondContact O-N 3.37Å; D514-Y516 PolarHBondContact O-N 2.85Å; D514-F533 WeakPolarHBondContact O-CE2 3.39Å
515	G	94	Very high	95.6	Very high	42 Å²	42	61 Å²	61	43%	0.433	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	2.1	-174.3	0	0	0	0	0	115.9
516	Y	97.4	Very high	95.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.311	C	S	.	.			trans	-87.5	115.4	165.1	-178.9	-134.5	0	0	0	110.9	K171 Y175 T435 L436 Y513 D514 V518 N526 N529 F530 F533	K171-Y516 WeakPolarHBondContact CE-O 3.38Å; K171-Y516 PolarHBondContact NZ-O 3.06Å; Y175-Y516 VanDerWaalsContact CD2-OH 3.22Å; Y175-Y516 WeakPolarHBondContact CD2-OH 3.25Å; Y175-Y516 VanDerWaalsContact CE2-OH 3.29Å; Y175-Y516 WeakPolarHBondContact CE2-OH 3.43Å; T435-Y516 HydrophobicContact CG2-CE1 3.96Å; T435-Y516 WeakPolarHBondContact CG2-OH 3.49Å; L436-Y516 HydrophobicContact CD1-CE1 3.98Å; L436-Y516 HydrophobicContact CD2-CD1 3.68Å; L436-Y516 HydrophobicContact CD2-CE1 3.64Å; L436-Y516 HydrophobicContact CG-CD1 4.45Å; L436-Y516 HydrophobicContact CG-CE1 3.9Å; Y513-Y516 PolarHBondContact O-N 3.09Å; D514-Y516 PolarHBondContact O-N 2.85Å; Y516-V518 HydrophobicContact CD1-CG2 3.87Å; Y516-V518 HydrophobicContact CE1-CG2 3.32Å; Y516-V518 HydrophobicContact CE2-CG2 4.3Å; Y516-N526 PolarHBondContact OH-O 3.46Å; Y516-N529 HydrophobicContact CD2-CB 4.35Å; Y516-N529 HydrophobicContact CE2-CB 3.94Å; Y516-F530 HydrophobicContact CE2-CB 3.74Å; Y516-F533 HydrophobicContact CD2-CB 4.11Å; Y516-F533 HydrophobicContact CD2-CG 4.32Å; Y516-F533 HydrophobicContact CG-CD1 4.36Å; Y516-F533 HydrophobicContact CG-CG 4.3Å
517	E	96.1	Very high	95.7	Very high	123 Å²	123	55.9 Å²	55.9	58%	0.575	30%	0.299	S	S	*	.			trans	-100.5	125.2	-178.8	-64.3	-59.4	148.2	0	0	111.5	N529	E517-N529 PolarHBondContact O-ND2 2.81Å
518	V	97.3	Very high	95.7	Very high	27 Å²	27	49.7 Å²	49.7	16%	0.164	27%	0.272	C	S	.	.			trans	-116.7	128.2	178	-179.1	0	0	0	0	109.2	K171 Y175 Y516	K171-V518 HydrophobicContact CB-CB 4.49Å; K171-V518 HydrophobicContact CB-CG2 4.03Å; K171-V518 HydrophobicContact CG-CB 4.47Å; K171-V518 HydrophobicContact CG-CG2 4.26Å; Y175-V518 HydrophobicContact CD2-CG1 4.47Å; Y516-V518 HydrophobicContact CD1-CG2 3.87Å; Y516-V518 HydrophobicContact CE1-CG2 3.32Å; Y516-V518 HydrophobicContact CE2-CG2 4.3Å
519	S	93.9	Very high	95.7	Very high	44 Å²	44	47.1 Å²	47.1	31%	0.308	26%	0.262	S	S	.	.			trans	-106.9	135.9	176.3	175.4	0	0	0	0	110.3	D521 N526	S519-D521 PolarHBondContact O-N 2.96Å; S519-D521 PolarHBondContact OG-N 2.74Å; S519-N526 PolarHBondContact N-OD1 2.92Å; S519-N526 PolarHBondContact O-ND2 3.41Å; S519-N526 PolarHBondContact O-OD1 3.06Å
520	D	91.8	Very high	95.7	Very high	97 Å²	97	48.5 Å²	48.5	52%	0.519	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.1	174.8	-61.8	-34.2	0	0	0	112.5	S174	S174-D520 WeakPolarHBondContact CB-OD1 3.37Å; S174-D520 PolarHBondContact OG-OD1 3.29Å
521	D	89.6	Confident	95.6	Very high	111 Å²	111	48.1 Å²	48.1	59%	0.594	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-11	-167.5	-69.1	-36.6	0	0	0	114.8	R184 S519	R184-D521 WeakPolarHBondContact CG-O 3.32Å; R184-D521 PolarHBondContact NE-O 2.91Å; S519-D521 PolarHBondContact O-N 2.96Å; S519-D521 PolarHBondContact OG-N 2.74Å
522	S	94.4	Very high	95.6	Very high	25 Å²	25	45.6 Å²	45.6	18%	0.175	25%	0.25	C	C	.	.			trans	-150.9	100.1	-175.3	-171.5	0	0	0	0	114.3	F524 Q525 N526	S522-F524 PolarHBondContact O-N 3.34Å; S522-Q525 PolarHBondContact O-N 2.75Å; S522-Q525 WeakPolarHBondContact OG-CB 3.3Å; S522-Q525 PolarHBondContact OG-N 3.17Å; S522-N526 PolarHBondContact O-N 2.98Å; S522-N526 PolarHBondContact O-ND2 2.9Å; S522-N526 PolarHBondContact O-OD1 3.29Å
523	F	96.9	Very high	95.8	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.022	24%	0.237	C	C	.	.	H	α-helix	trans	-59.6	-43.9	172.2	-179.7	-128.4	0	0	0	112.8	Y175 C179 I185 T398 N431 Q525 N526 M527	Y175-F523 AromaticContact CE1-CE2 3.9Å; Y175-F523 HydrophobicContact CE1-CE2 3.9Å; Y175-F523 HydrophobicContact CE2-CE2 4.37Å; Y175-F523 AromaticContact CZ-CE2 3.69Å; C179-F523 HydrophobicContact CB-CD1 4.41Å; C179-F523 HydrophobicContact CB-CD2 3.62Å; C179-F523 HydrophobicContact CB-CE1 4.35Å; C179-F523 HydrophobicContact CB-CE2 3.59Å; C179-F523 HydrophobicContact CB-CG 4.06Å; C179-F523 HydrophobicContact CB-CZ 3.98Å; I185-F523 HydrophobicContact CD1-CB 4.32Å; I185-F523 HydrophobicContact CD1-CD1 4.17Å; T398-F523 HydrophobicContact CG2-CD1 4.02Å; T398-F523 HydrophobicContact CG2-CE1 3.56Å; T398-F523 HydrophobicContact CG2-CZ 4Å; N431-F523 HydrophobicContact CB-CZ 4.2Å; F523-Q525 PolarHBondContact O-N 3.24Å; F523-N526 WeakPolarHBondContact O-CB 3.27Å; F523-N526 PolarHBondContact O-N 3.45Å; F523-M527 PolarHBondContact O-N 3.16Å; F523-M527 VanDerWaalsContact O-N 3.11Å
524	F	97.3	Very high	95.7	Very high	12 Å²	12	44.3 Å²	44.3	5%	0.053	24%	0.242	C	C	.	.	H	α-helix	trans	-56.3	-47.6	176.6	-177.9	-88.2	0	0	0	111.7	P192 L193 L196 T398 L399 S522 N526 M527 L528	P192-F524 HydrophobicContact CB-CB 4.3Å; P192-F524 HydrophobicContact CB-CD1 3.4Å; P192-F524 HydrophobicContact CB-CD2 4.1Å; P192-F524 HydrophobicContact CB-CE1 3.59Å; P192-F524 HydrophobicContact CB-CE2 4.34Å; P192-F524 HydrophobicContact CB-CG 3.68Å; P192-F524 HydrophobicContact CB-CZ 4.1Å; L193-F524 HydrophobicContact CB-CE2 4.02Å; L193-F524 HydrophobicContact CB-CZ 4.08Å; L193-F524 HydrophobicContact CD1-CE2 4.45Å; L193-F524 HydrophobicContact CD1-CZ 4.24Å; L196-F524 HydrophobicContact CD2-CZ 4.11Å; T398-F524 WeakPolarHBondContact OG1-CD2 3.01Å; L399-F524 HydrophobicContact CD2-CD2 3.61Å; L399-F524 HydrophobicContact CD2-CE2 3.86Å; L399-F524 HydrophobicContact CG-CD2 4.49Å; S522-F524 PolarHBondContact O-N 3.34Å; F524-N526 PolarHBondContact O-N 2.9Å; F524-M527 PolarHBondContact O-N 3.39Å; F524-L528 HydrophobicContact CD1-CD1 3.99Å; F524-L528 HydrophobicContact CD1-CG 4.29Å; F524-L528 HydrophobicContact CE1-CD1 3.46Å; F524-L528 VanDerWaalsContact CE1-CD1 3.46Å; F524-L528 HydrophobicContact CE1-CG 4.03Å; F524-L528 HydrophobicContact CZ-CD1 4.16Å; F524-L528 PolarHBondContact O-N 2.9Å
525	Q	96.8	Very high	95.7	Very high	83 Å²	83	38.7 Å²	38.7	39%	0.388	21%	0.214	S	C	.	.	H	α-helix	trans	-67.5	-36.3	179.5	-172	58.7	55.9	0	0	112	S522 F523 M527 L528 N529	S522-Q525 PolarHBondContact O-N 2.75Å; S522-Q525 WeakPolarHBondContact OG-CB 3.3Å; S522-Q525 PolarHBondContact OG-N 3.17Å; F523-Q525 PolarHBondContact O-N 3.24Å; Q525-M527 VanDerWaalsContact C-N 3.27Å; Q525-M527 PolarHBondContact O-N 2.95Å; Q525-L528 PolarHBondContact O-N 3.46Å; Q525-N529 PolarHBondContact NE2-OD1 3.39Å; Q525-N529 WeakPolarHBondContact O-CB 3.42Å; Q525-N529 PolarHBondContact O-N 3.37Å; Q525-N529 PolarHBondContact O-OD1 3.47Å
526	N	97.8	Very high	95.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-38.4	176	-66.8	-19.2	0	0	0	112.2	Y175 S178 Y516 S519 S522 F523 F524 F530	Y175-N526 HydrophobicContact CD2-CB 3.68Å; Y175-N526 HydrophobicContact CE2-CB 3.58Å; S178-N526 PolarHBondContact OG-ND2 3.01Å; Y516-N526 PolarHBondContact OH-O 3.46Å; S519-N526 PolarHBondContact N-OD1 2.92Å; S519-N526 PolarHBondContact O-ND2 3.41Å; S519-N526 PolarHBondContact O-OD1 3.06Å; S522-N526 PolarHBondContact O-N 2.98Å; S522-N526 PolarHBondContact O-ND2 2.9Å; S522-N526 PolarHBondContact O-OD1 3.29Å; F523-N526 WeakPolarHBondContact O-CB 3.27Å; F523-N526 PolarHBondContact O-N 3.45Å; F524-N526 PolarHBondContact O-N 2.9Å; N526-F530 WeakPolarHBondContact O-CB 3.4Å; N526-F530 PolarHBondContact O-N 2.69Å
527	M	96.3	Very high	95.6	Very high	20 Å²	20	46.7 Å²	46.7	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-42.6	175.8	-164.4	68	-163.9	0	0	111.9	Y175 T398 F523 F524 Q525 N529 F530 Y531	Y175-M527 PolarHBondContact OH-SD 3.4Å; T398-M527 HydrophobicContact CG2-CB 4.03Å; T398-M527 HydrophobicContact CG2-CG 4.13Å; F523-M527 PolarHBondContact O-N 3.16Å; F523-M527 VanDerWaalsContact O-N 3.11Å; F524-M527 PolarHBondContact O-N 3.39Å; Q525-M527 VanDerWaalsContact C-N 3.27Å; Q525-M527 PolarHBondContact O-N 2.95Å; M527-N529 PolarHBondContact O-N 2.99Å; M527-F530 HydrophobicContact CE-CD1 4.05Å; M527-F530 WeakPolarHBondContact O-CB 3.2Å; M527-F530 PolarHBondContact O-N 3.05Å; M527-Y531 HydrophobicContact CE-CD1 4.19Å; M527-Y531 HydrophobicContact CE-CE1 3.32Å; M527-Y531 HydrophobicContact CE-CE2 4.3Å; M527-Y531 VanDerWaalsContact CE-OH 3.31Å; M527-Y531 WeakPolarHBondContact CE-OH 3.32Å; M527-Y531 HydrophobicContact CG-CD2 4.42Å; M527-Y531 HydrophobicContact CG-CE1 4.44Å; M527-Y531 HydrophobicContact CG-CE2 3.73Å; M527-Y531 WeakPolarHBondContact O-CD2 3.27Å; M527-Y531 PolarHBondContact O-N 3.33Å
528	L	95.8	Very high	95.6	Very high	15 Å²	15	42.4 Å²	42.4	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-40.6	175.2	-63.6	-172.1	0	0	0	112.4	L196 Y225 F524 Q525 F530 Y531 N532	L196-L528 HydrophobicContact CD1-CD1 4.46Å; L196-L528 HydrophobicContact CD2-CD1 4.01Å; L196-L528 HydrophobicContact CD2-CD2 4.07Å; Y225-L528 HydrophobicContact CD1-CD2 3.9Å; Y225-L528 HydrophobicContact CE1-CD1 4.24Å; Y225-L528 HydrophobicContact CE1-CD2 4.19Å; F524-L528 HydrophobicContact CD1-CD1 3.99Å; F524-L528 HydrophobicContact CD1-CG 4.29Å; F524-L528 HydrophobicContact CE1-CD1 3.46Å; F524-L528 VanDerWaalsContact CE1-CD1 3.46Å; F524-L528 HydrophobicContact CE1-CG 4.03Å; F524-L528 HydrophobicContact CZ-CD1 4.16Å; F524-L528 PolarHBondContact O-N 2.9Å; Q525-L528 PolarHBondContact O-N 3.46Å; L528-F530 VanDerWaalsContact C-N 3.25Å; L528-F530 PolarHBondContact O-N 3.3Å; L528-Y531 HydrophobicContact CD2-CD2 4.23Å; L528-Y531 PolarHBondContact O-N 2.97Å; L528-N532 PolarHBondContact O-N 2.93Å
529	N	97.2	Very high	95.5	Very high	44 Å²	44	41.2 Å²	41.2	24%	0.235	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-40.7	174.5	-71.8	-5.4	0	0	0	110.5	Y516 E517 Q525 M527 N532 F533	Y516-N529 HydrophobicContact CD2-CB 4.35Å; Y516-N529 HydrophobicContact CE2-CB 3.94Å; E517-N529 PolarHBondContact O-ND2 2.81Å; Q525-N529 PolarHBondContact NE2-OD1 3.39Å; Q525-N529 WeakPolarHBondContact O-CB 3.42Å; Q525-N529 PolarHBondContact O-N 3.37Å; Q525-N529 PolarHBondContact O-OD1 3.47Å; M527-N529 PolarHBondContact O-N 2.99Å; N529-N532 PolarHBondContact O-N 3.03Å; N529-F533 VanDerWaalsContact O-CB 3.3Å; N529-F533 WeakPolarHBondContact O-CB 3.5Å; N529-F533 PolarHBondContact O-N 2.99Å
530	F	97.3	Very high	95.6	Very high	29 Å²	29	42.8 Å²	42.8	13%	0.127	22%	0.216	C	C	.	.	H	α-helix	trans	-65.2	-45.4	177.6	173.5	-108.2	0	0	0	112.2	D434 T435 Y516 N526 M527 L528 N532 F533 S534	D434-F530 WeakPolarHBondContact O-CZ 3.4Å; T435-F530 HydrophobicContact CG2-CB 3.81Å; T435-F530 HydrophobicContact CG2-CD1 4.15Å; T435-F530 HydrophobicContact CG2-CD2 3.36Å; T435-F530 HydrophobicContact CG2-CE2 3.91Å; T435-F530 HydrophobicContact CG2-CG 3.49Å; T435-F530 VanDerWaalsContact CG2-CG 3.49Å; T435-F530 HydrophobicContact CG2-CZ 4.49Å; T435-F530 WeakPolarHBondContact O-CE2 3.34Å; Y516-F530 HydrophobicContact CE2-CB 3.74Å; N526-F530 WeakPolarHBondContact O-CB 3.4Å; N526-F530 PolarHBondContact O-N 2.69Å; M527-F530 HydrophobicContact CE-CD1 4.05Å; M527-F530 WeakPolarHBondContact O-CB 3.2Å; M527-F530 PolarHBondContact O-N 3.05Å; L528-F530 VanDerWaalsContact C-N 3.25Å; L528-F530 PolarHBondContact O-N 3.3Å; F530-N532 VanDerWaalsContact C-N 3.29Å; F530-N532 PolarHBondContact O-N 2.86Å; F530-F533 HydrophobicContact CD2-CD1 4.21Å; F530-F533 HydrophobicContact CE2-CD1 4.47Å; F530-F533 PolarHBondContact O-N 3.22Å; F530-S534 WeakPolarHBondContact O-CB 3.31Å; F530-S534 PolarHBondContact O-N 3.35Å
531	Y	96.1	Very high	95.8	Very high	34 Å²	34	39.7 Å²	39.7	13%	0.133	20%	0.198	C	C	.	.	H	α-helix	trans	-57.2	-44.2	177.1	-66.1	-41.1	0	0	0	112.1	P224 R226 K394 M527 L528 S534 A535	P224-Y531 CarbonylContact O-C 3.4Å; P224-Y531 WeakPolarHBondContact O-CB 3.16Å; R226-Y531 WeakPolarHBondContact CD-O 3.43Å; K394-Y531 HydrophobicContact CB-CE2 4.39Å; K394-Y531 PolarHBondContact O-OH 3.37Å; M527-Y531 HydrophobicContact CE-CD1 4.19Å; M527-Y531 HydrophobicContact CE-CE1 3.32Å; M527-Y531 HydrophobicContact CE-CE2 4.3Å; M527-Y531 VanDerWaalsContact CE-OH 3.31Å; M527-Y531 WeakPolarHBondContact CE-OH 3.32Å; M527-Y531 HydrophobicContact CG-CD2 4.42Å; M527-Y531 HydrophobicContact CG-CE1 4.44Å; M527-Y531 HydrophobicContact CG-CE2 3.73Å; M527-Y531 WeakPolarHBondContact O-CD2 3.27Å; M527-Y531 PolarHBondContact O-N 3.33Å; L528-Y531 HydrophobicContact CD2-CD2 4.23Å; L528-Y531 PolarHBondContact O-N 2.97Å; Y531-S534 PolarHBondContact O-N 3.34Å; Y531-A535 WeakPolarHBondContact O-CB 3.38Å; Y531-A535 PolarHBondContact O-N 2.98Å
532	N	96.2	Very high	96.2	Very high	49 Å²	49	34.7 Å²	34.7	26%	0.262	17%	0.171	S	C	.	.	H	α-helix	trans	-68.2	-42.5	178	175.7	56	0	0	0	112.1	P224 L528 N529 F530 A535 R536	P224-N532 WeakPolarHBondContact O-CA 3.33Å; P224-N532 PolarHBondContact O-N 2.98Å; P224-N532 VanDerWaalsContact O-N 3.12Å; L528-N532 PolarHBondContact O-N 2.93Å; N529-N532 PolarHBondContact O-N 3.03Å; F530-N532 VanDerWaalsContact C-N 3.29Å; F530-N532 PolarHBondContact O-N 2.86Å; N532-A535 PolarHBondContact O-N 3.27Å; N532-R536 PolarHBondContact ND2-NH2 3.21Å; N532-R536 WeakPolarHBondContact O-CG 3.45Å; N532-R536 PolarHBondContact O-N 3.18Å; N532-R536 VanDerWaalsContact O-N 3.15Å
533	F	97.1	Very high	96.3	Very high	22 Å²	22	39.7 Å²	39.7	10%	0.096	19%	0.187	C	C	.	.	H	α-helix	trans	-58.9	-49.5	173.4	165.4	-100.7	0	0	0	111.2	V512 Y513 D514 Y516 N529 F530 A535 R536 V537	V512-F533 VanDerWaalsContact O-CZ 3.32Å; V512-F533 WeakPolarHBondContact O-CZ 3.31Å; Y513-F533 HydrophobicContact CD1-CE1 4.3Å; Y513-F533 HydrophobicContact CD1-CZ 4.34Å; D514-F533 WeakPolarHBondContact O-CE2 3.39Å; Y516-F533 HydrophobicContact CD2-CB 4.11Å; Y516-F533 HydrophobicContact CD2-CG 4.32Å; Y516-F533 HydrophobicContact CG-CD1 4.36Å; Y516-F533 HydrophobicContact CG-CG 4.3Å; N529-F533 VanDerWaalsContact O-CB 3.3Å; N529-F533 WeakPolarHBondContact O-CB 3.5Å; N529-F533 PolarHBondContact O-N 2.99Å; F530-F533 HydrophobicContact CD2-CD1 4.21Å; F530-F533 HydrophobicContact CE2-CD1 4.47Å; F530-F533 PolarHBondContact O-N 3.22Å; F533-A535 VanDerWaalsContact C-N 3.33Å; F533-A535 PolarHBondContact O-N 2.97Å; F533-R536 WeakPolarHBondContact O-CB 3.41Å; F533-R536 PolarHBondContact O-N 3.09Å; F533-R536 VanDerWaalsContact O-N 3.08Å; F533-V537 HydrophobicContact CD1-CG2 4.36Å; F533-V537 HydrophobicContact CD2-CG2 4.2Å; F533-V537 HydrophobicContact CE1-CG2 3.88Å; F533-V537 HydrophobicContact CE2-CG2 3.7Å; F533-V537 HydrophobicContact CZ-CG2 3.52Å; F533-V537 WeakPolarHBondContact O-CG2 3.4Å; F533-V537 PolarHBondContact O-N 2.86Å
534	S	95.6	Very high	96.3	Very high	23 Å²	23	44 Å²	44	16%	0.161	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-38.2	179.5	-175.7	0	0	0	0	112.5	R226 F530 Y531 R536 V537 M538	R226-S534 PolarHBondContact NH1-OG 3.48Å; F530-S534 WeakPolarHBondContact O-CB 3.31Å; F530-S534 PolarHBondContact O-N 3.35Å; Y531-S534 PolarHBondContact O-N 3.34Å; S534-R536 VanDerWaalsContact C-N 3.35Å; S534-V537 PolarHBondContact O-N 3.36Å; S534-M538 WeakPolarHBondContact O-CB 3.35Å; S534-M538 PolarHBondContact O-N 3.08Å
535	A	95.1	Very high	96.2	Very high	8 Å²	8	48.2 Å²	48.2	7%	0.066	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-40.9	173.5	0	0	0	0	0	112	R226 Y531 N532 F533 M538 A539	R226-A535 HydrophobicContact CG-CB 4.24Å; Y531-A535 WeakPolarHBondContact O-CB 3.38Å; Y531-A535 PolarHBondContact O-N 2.98Å; N532-A535 PolarHBondContact O-N 3.27Å; F533-A535 VanDerWaalsContact C-N 3.33Å; F533-A535 PolarHBondContact O-N 2.97Å; A535-M538 PolarHBondContact O-N 3.36Å; A535-A539 PolarHBondContact O-N 2.89Å
536	R	95.1	Very high	96.1	Very high	147 Å²	147	45.2 Å²	45.2	56%	0.555	22%	0.22	S	C	*	.	H	α-helix	trans	-68	-43.3	176.7	-68	171.7	-175.2	-172.8	-1.8	112.4	N532 F533 S534 M538 A539 D540	N532-R536 PolarHBondContact ND2-NH2 3.21Å; N532-R536 WeakPolarHBondContact O-CG 3.45Å; N532-R536 PolarHBondContact O-N 3.18Å; N532-R536 VanDerWaalsContact O-N 3.15Å; F533-R536 WeakPolarHBondContact O-CB 3.41Å; F533-R536 PolarHBondContact O-N 3.09Å; F533-R536 VanDerWaalsContact O-N 3.08Å; S534-R536 VanDerWaalsContact C-N 3.35Å; R536-M538 VanDerWaalsContact C-N 3.27Å; R536-M538 PolarHBondContact O-N 2.84Å; R536-A539 PolarHBondContact O-N 3.49Å; R536-D540 VanDerWaalsContact O-CB 3.3Å; R536-D540 WeakPolarHBondContact O-CB 3.46Å; R536-D540 PolarHBondContact O-N 3.39Å
537	V	94.7	Very high	95.7	Very high	62 Å²	62	48.7 Å²	48.7	38%	0.376	24%	0.239	S	C	.	.	H	α-helix	trans	-58.5	-43.3	175.6	171.7	0	0	0	0	110.4	F533 S534 Q541	F533-V537 HydrophobicContact CD1-CG2 4.36Å; F533-V537 HydrophobicContact CD2-CG2 4.2Å; F533-V537 HydrophobicContact CE1-CG2 3.88Å; F533-V537 HydrophobicContact CE2-CG2 3.7Å; F533-V537 HydrophobicContact CZ-CG2 3.52Å; F533-V537 WeakPolarHBondContact O-CG2 3.4Å; F533-V537 PolarHBondContact O-N 2.86Å; S534-V537 PolarHBondContact O-N 3.36Å; V537-Q541 WeakPolarHBondContact O-CG 3.43Å; V537-Q541 PolarHBondContact O-N 3.43Å; V537-Q541 PolarHBondContact O-NE2 2.63Å
538	M	95	Very high	95.3	Very high	33 Å²	33	52.1 Å²	52.1	16%	0.163	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-48.4	175.5	176	-100.6	-69.4	0	0	111.9	V235 L349 S534 A535 R536 D540 Q541	V235-M538 HydrophobicContact CB-CG 4.08Å; V235-M538 HydrophobicContact CB-SD 4.01Å; V235-M538 HydrophobicContact CG2-SD 3.8Å; L349-M538 HydrophobicContact CD2-SD 3.85Å; S534-M538 WeakPolarHBondContact O-CB 3.35Å; S534-M538 PolarHBondContact O-N 3.08Å; A535-M538 PolarHBondContact O-N 3.36Å; R536-M538 VanDerWaalsContact C-N 3.27Å; R536-M538 PolarHBondContact O-N 2.84Å; M538-D540 VanDerWaalsContact C-N 3.35Å; M538-D540 PolarHBondContact O-N 3.47Å; M538-Q541 WeakPolarHBondContact O-CB 3.32Å; M538-Q541 PolarHBondContact O-N 3.48Å
539	A	95.9	Very high	95	Very high	3 Å²	3	55 Å²	55	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-44.4	177.9	0	0	0	0	0	112.1	L349 L352 A535 R536 Q541 L542	L349-A539 HydrophobicContact CB-CB 4.34Å; L349-A539 HydrophobicContact CD2-CB 3.98Å; L352-A539 VanDerWaalsContact CD1-O 3.25Å; L352-A539 WeakPolarHBondContact CD1-O 3.44Å; A535-A539 PolarHBondContact O-N 2.89Å; R536-A539 PolarHBondContact O-N 3.49Å; A539-Q541 PolarHBondContact O-N 2.97Å; A539-L542 WeakPolarHBondContact O-CB 3.14Å; A539-L542 PolarHBondContact O-N 2.82Å
540	D	95.2	Very high	94.7	Very high	77 Å²	77	56.5 Å²	56.5	41%	0.412	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-19.1	179.6	170.4	70.4	0	0	0	113.8	R536 M538 K544	R536-D540 VanDerWaalsContact O-CB 3.3Å; R536-D540 WeakPolarHBondContact O-CB 3.46Å; R536-D540 PolarHBondContact O-N 3.39Å; M538-D540 VanDerWaalsContact C-N 3.35Å; M538-D540 PolarHBondContact O-N 3.47Å; D540-K544 WeakPolarHBondContact O-CD 3.27Å; D540-K544 WeakPolarHBondContact O-CE 3.35Å; D540-K544 WeakPolarHBondContact O-CG 3.4Å; D540-K544 WeakPolarHBondContact OD1-CE 3.22Å; D540-K544 IonicContact OD1-NZ 3.22Å; D540-K544 PolarHBondContact OD1-NZ 2.95Å; D540-K544 VanDerWaalsContact OD2-CE 3.29Å; D540-K544 WeakPolarHBondContact OD2-CE 3.46Å; D540-K544 IonicContact OD2-NZ 3.98Å; D540-K544 PolarHBondContact OD2-NZ 2.89Å
541	Q	96.2	Very high	94.6	Very high	31 Å²	31	56.1 Å²	56.1	15%	0.145	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-23	174.4	-60.3	-48.5	-70.1	0	0	114	V235 N245 V537 M538 A539 R543 K544 Q550	V235-Q541 HydrophobicContact CG1-CB 4.12Å; N245-Q541 PolarHBondContact ND2-O 2.7Å; V537-Q541 WeakPolarHBondContact O-CG 3.43Å; V537-Q541 PolarHBondContact O-N 3.43Å; V537-Q541 PolarHBondContact O-NE2 2.63Å; M538-Q541 WeakPolarHBondContact O-CB 3.32Å; M538-Q541 PolarHBondContact O-N 3.48Å; A539-Q541 PolarHBondContact O-N 2.97Å; Q541-R543 PolarHBondContact O-N 3.32Å; Q541-K544 PolarHBondContact O-N 2.99Å; Q541-Q550 VanDerWaalsContact OE1-NE2 3.1Å
542	L	97.7	Very high	94.5	Very high	6 Å²	6	58.8 Å²	58.8	3%	0.031	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.1	-165	-177.1	62.1	0	0	0	113.7	V235 I247 L349 L352 L354 A539	V235-L542 HydrophobicContact CG1-CB 3.88Å; V235-L542 HydrophobicContact CG1-CD1 3.91Å; V235-L542 HydrophobicContact CG2-CB 4.24Å; V235-L542 HydrophobicContact CG2-CD1 4.2Å; I247-L542 HydrophobicContact CD1-CD2 4.17Å; I247-L542 HydrophobicContact CG1-CD1 3.83Å; I247-L542 HydrophobicContact CG1-CD2 4Å; L349-L542 HydrophobicContact CD1-CD2 4.43Å; L352-L542 HydrophobicContact CD1-CB 3.73Å; L352-L542 HydrophobicContact CD1-CD2 3.83Å; L352-L542 HydrophobicContact CD1-CG 4.37Å; L354-L542 HydrophobicContact CD2-CD2 4.05Å; A539-L542 WeakPolarHBondContact O-CB 3.14Å; A539-L542 PolarHBondContact O-N 2.82Å
543	R	96.9	Very high	94.5	Very high	131 Å²	131	58.4 Å²	58.4	49%	0.494	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	2.5	179.8	-55.2	-57.5	-177.4	-139.1	3.5	113.5	L352 E358 Q541	L352-R543 HydrophobicContact CD2-CG 4.04Å; E358-R543 IonicContact OE1-CZ 3.31Å; E358-R543 VanDerWaalsContact OE1-CZ 3.31Å; E358-R543 IonicContact OE1-NH1 2.67Å; E358-R543 PolarHBondContact OE1-NH1 3.49Å; E358-R543 IonicContact OE1-NH2 3.05Å; E358-R543 PolarHBondContact OE1-NH2 3.38Å; E358-R543 IonicContact OE2-CZ 3.63Å; E358-R543 IonicContact OE2-NH1 3.72Å; E358-R543 IonicContact OE2-NH2 2.71Å; E358-R543 PolarHBondContact OE2-NH2 3.43Å; Q541-R543 PolarHBondContact O-N 3.32Å
544	K	96.2	Very high	94.5	Very high	96 Å²	96	58.4 Å²	58.4	42%	0.417	29%	0.294	S	S	.	.	S	Bend	trans	-92.6	148.1	176.7	-65.2	-177.9	-178.2	-177.6	0	110	N245 D540 Q541	N245-K544 PolarHBondContact ND2-O 2.94Å; D540-K544 WeakPolarHBondContact O-CD 3.27Å; D540-K544 WeakPolarHBondContact O-CE 3.35Å; D540-K544 WeakPolarHBondContact O-CG 3.4Å; D540-K544 WeakPolarHBondContact OD1-CE 3.22Å; D540-K544 IonicContact OD1-NZ 3.22Å; D540-K544 PolarHBondContact OD1-NZ 2.95Å; D540-K544 VanDerWaalsContact OD2-CE 3.29Å; D540-K544 WeakPolarHBondContact OD2-CE 3.46Å; D540-K544 IonicContact OD2-NZ 3.98Å; D540-K544 PolarHBondContact OD2-NZ 2.89Å; Q541-K544 PolarHBondContact O-N 2.99Å
545	T	95.8	Very high	94.6	Very high	100 Å²	100	57.3 Å²	57.3	61%	0.613	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-69.5	131.7	168.3	-58.9	0	0	0	0	108.7	N547	T545-N547 PolarHBondContact O-N 3.2Å
546	P	94.7	Very high	94.6	Very high	20 Å²	20	57.1 Å²	57.1	13%	0.13	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-52.2	129.5	174.5	-27.4	35.2	0	0	0	111.7	T237 S242 N243	T237-P546 HydrophobicContact CG2-CB 4.41Å; T237-P546 HydrophobicContact CG2-CG 3.95Å; T237-P546 WeakPolarHBondContact OG1-CB 3.23Å; S242-P546 WeakPolarHBondContact O-CG 3.37Å; N243-P546 VanDerWaalsContact C-CD 3.47Å
547	N	90.8	Very high	94.7	Very high	73 Å²	73	51.5 Å²	51.5	39%	0.39	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-91.5	128.5	178.7	-178.3	0.4	0	0	0	110.2	T545 D549 Q550 K566	T545-N547 PolarHBondContact O-N 3.2Å; N547-D549 PolarHBondContact O-N 2.86Å; N547-D549 PolarHBondContact OD1-N 3.09Å; N547-Q550 HydrophobicContact CB-CG 3.91Å; N547-Q550 PolarHBondContact O-N 3.22Å; N547-K566 WeakPolarHBondContact O-CE 3.34Å; N547-K566 PolarHBondContact O-NZ 3.37Å
548	K	87.3	Confident	94.9	Very high	91 Å²	91	49.2 Å²	49.2	40%	0.396	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.8	177	-70.5	-161.2	176.1	-157.9	0	113.5	Y494 Q550 K566	Y494-K548 HydrophobicContact CD1-CB 4.43Å; Y494-K548 HydrophobicContact CE1-CB 4.32Å; K548-Q550 VanDerWaalsContact C-N 3.32Å; K548-Q550 PolarHBondContact O-N 3.25Å; K548-K566 PolarHBondContact NZ-O 3.42Å
549	D	89.8	Confident	95	Very high	75 Å²	75	51 Å²	51	40%	0.401	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.1	-178.9	-58.5	-39.3	0	0	0	113.9	Y494 N547	Y494-D549 PolarHBondContact OH-OD1 3.14Å; N547-D549 PolarHBondContact O-N 2.86Å; N547-D549 PolarHBondContact OD1-N 3.09Å
550	Q	90.8	Very high	95	Very high	76 Å²	76	51.1 Å²	51.1	36%	0.355	26%	0.264	S	S	.	.			trans	-81.6	124.5	171.8	-79.8	170.2	-17.3	0	0	110.8	Q541 N547 K548 K566	Q541-Q550 VanDerWaalsContact OE1-NE2 3.1Å; N547-Q550 HydrophobicContact CB-CG 3.91Å; N547-Q550 PolarHBondContact O-N 3.22Å; K548-Q550 VanDerWaalsContact C-N 3.32Å; K548-Q550 PolarHBondContact O-N 3.25Å; Q550-K566 PolarHBondContact O-NZ 3.48Å
551	W	94.4	Very high	95.2	Very high	22 Å²	22	48.8 Å²	48.8	8%	0.083	25%	0.249	C	C	.	.			trans	-97.6	146.4	-178.3	-67.2	38.4	0	0	0	111	F438 M496 F499 P500 Y561 V570 P572	F438-W551 HydrophobicContact CE1-CB 3.99Å; F438-W551 HydrophobicContact CZ-CB 4.04Å; M496-W551 HydrophobicContact CB-CH2 4.19Å; M496-W551 HydrophobicContact CB-CZ2 3.57Å; M496-W551 HydrophobicContact CG-CZ2 4.31Å; M496-W551 HydrophobicContact SD-CG 4.43Å; M496-W551 PolarHBondContact SD-NE1 3Å; F499-W551 VanDerWaalsContact CA-CH2 3.49Å; F499-W551 VanDerWaalsContact N-CH2 3.31Å; P500-W551 HydrophobicContact CB-CG 4.4Å; P500-W551 HydrophobicContact CG-CD2 4.15Å; P500-W551 HydrophobicContact CG-CG 4.08Å; W551-Y561 WeakPolarHBondContact CA-OH 3.49Å; W551-V570 HydrophobicContact CD2-CG1 3.72Å; W551-V570 HydrophobicContact CE3-CG1 3.3Å; W551-V570 HydrophobicContact CH2-CG1 3.78Å; W551-V570 HydrophobicContact CZ2-CG1 4.21Å; W551-V570 HydrophobicContact CZ3-CG1 3.32Å; W551-P572 HydrophobicContact CZ3-CG 4.4Å
552	S	93.3	Very high	95.3	Very high	90 Å²	90	48.5 Å²	48.5	63%	0.629	25%	0.247	S	C	*	.	S	Bend	trans	-96.9	-4.6	172.4	-54.7	0	0	0	0	113.4	Y561	S552-Y561 PolarHBondContact N-OH 3.43Å
553	M	96.7	Very high	95.3	Very high	41 Å²	41	49.6 Å²	49.6	20%	0.202	25%	0.253	C	S	.	.	S	Bend	trans	-129.3	149.7	174.6	-67.1	-175	-176.9	0	0	110	T557 N559 Y561 P572	M553-T557 HydrophobicContact CB-CG2 4.36Å; M553-T557 HydrophobicContact CG-CG2 4.43Å; M553-T557 HydrophobicContact SD-CG2 3.92Å; M553-N559 HydrophobicContact CE-CB 4.09Å; M553-N559 HydrophobicContact SD-CB 3.82Å; M553-Y561 HydrophobicContact CB-CD1 4.31Å; M553-Y561 HydrophobicContact CB-CE1 3.93Å; M553-Y561 HydrophobicContact CE-CD1 3.82Å; M553-Y561 HydrophobicContact CE-CG 4.2Å; M553-Y561 HydrophobicContact CG-CD1 3.75Å; M553-Y561 HydrophobicContact CG-CE1 3.79Å; M553-Y561 HydrophobicContact SD-CD1 3.53Å; M553-Y561 VanDerWaalsContact SD-CD1 3.53Å; M553-Y561 HydrophobicContact SD-CE1 4.12Å; M553-Y561 HydrophobicContact SD-CG 4.47Å; M553-P572 HydrophobicContact CB-CG 4.04Å; M553-P572 HydrophobicContact SD-CG 4.42Å
554	T	97.3	Very high	95.3	Very high	22 Å²	22	45 Å²	45	14%	0.135	24%	0.24	C	C	.	.			trans	-87	152.7	-179.2	63.7	0	0	0	0	110	D433 T557	D433-T554 WeakPolarHBondContact OD1-CB 3.08Å; D433-T554 PolarHBondContact OD1-OG1 3.47Å; D433-T554 PolarHBondContact OD2-OG1 3.09Å; T554-T557 WeakPolarHBondContact O-CB 3.45Å; T554-T557 PolarHBondContact O-N 3.27Å; T554-T557 PolarHBondContact O-OG1 2.92Å; T554-T557 VanDerWaalsContact O-OG1 3.11Å; T554-T557 PolarHBondContact OG1-OG1 3.05Å; T554-T557 VanDerWaalsContact OG1-OG1 3.07Å
555	P	96.9	Very high	95.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-38.6	179.8	-27.8	34.7	0	0	0	117.2	V445 F499 I503 T557 A573 G574	V445-P555 HydrophobicContact CG2-CB 3.78Å; V445-P555 HydrophobicContact CG2-CG 4.47Å; F499-P555 HydrophobicContact CB-CB 4.11Å; F499-P555 HydrophobicContact CB-CG 3.83Å; I503-P555 HydrophobicContact CD1-CG 3.68Å; P555-T557 PolarHBondContact O-N 3.06Å; P555-A573 PolarHBondContact O-N 2.86Å; P555-G574 PolarHBondContact O-N 2.84Å
556	P	96.9	Very high	95.4	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.019	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.4	-179.5	31.2	-36.4	0	0	0	114.1	N149 L153 F444	N149-P556 PolarHBondContact ND2-O 3.33Å; L153-P556 HydrophobicContact CD1-CB 4.04Å; L153-P556 HydrophobicContact CD1-CG 4.43Å; F444-P556 HydrophobicContact CB-CB 4.28Å; F444-P556 HydrophobicContact CD1-CB 4.14Å; F444-P556 HydrophobicContact CD2-CB 3.97Å; F444-P556 HydrophobicContact CE1-CB 4.5Å; F444-P556 HydrophobicContact CE2-CB 4.34Å; F444-P556 HydrophobicContact CG-CB 3.86Å
557	T	97.3	Very high	95.6	Very high	29 Å²	29	36.5 Å²	36.5	18%	0.178	19%	0.194	C	C	.	.			trans	-61.6	134.7	-179.6	-65.9	0	0	0	0	111.1	M553 T554 P555 N559 P572 G574	M553-T557 HydrophobicContact CB-CG2 4.36Å; M553-T557 HydrophobicContact CG-CG2 4.43Å; M553-T557 HydrophobicContact SD-CG2 3.92Å; T554-T557 WeakPolarHBondContact O-CB 3.45Å; T554-T557 PolarHBondContact O-N 3.27Å; T554-T557 PolarHBondContact O-OG1 2.92Å; T554-T557 VanDerWaalsContact O-OG1 3.11Å; T554-T557 PolarHBondContact OG1-OG1 3.05Å; T554-T557 VanDerWaalsContact OG1-OG1 3.07Å; P555-T557 PolarHBondContact O-N 3.06Å; T557-N559 HydrophobicContact CG2-CB 3.71Å; T557-N559 PolarHBondContact O-N 2.95Å; T557-P572 WeakPolarHBondContact O-CB 3.14Å; T557-G574 CarbonylContact O-C 3.57Å; T557-G574 WeakPolarHBondContact O-CA 3.13Å
558	V	97	Very high	95.9	Very high	15 Å²	15	33 Å²	33	9%	0.091	18%	0.176	C	C	.	.	S	Bend	trans	-97.3	74.2	174.5	-169.7	0	0	0	0	108.7	F142 I145 W146 N149 I575 F580	F142-V558 HydrophobicContact CD1-CG1 4.21Å; I145-V558 HydrophobicContact CB-CG1 4.17Å; I145-V558 HydrophobicContact CB-CG2 4.32Å; I145-V558 HydrophobicContact CD1-CG1 4.44Å; I145-V558 HydrophobicContact CG2-CG1 3.97Å; I145-V558 HydrophobicContact CG2-CG2 3.76Å; W146-V558 HydrophobicContact CB-CG2 4.07Å; N149-V558 WeakPolarHBondContact ND2-CG2 3.4Å; V558-I575 HydrophobicContact CG1-CG1 4.46Å; V558-F580 HydrophobicContact CG1-CE2 4.48Å
559	N	97.1	Very high	96.4	Very high	71 Å²	71	28.7 Å²	28.7	38%	0.38	16%	0.157	S	C	.	.			trans	-160.8	-179	179.6	-153.1	-3.6	0	0	0	110.2	M553 T557 P572 I575	M553-N559 HydrophobicContact CE-CB 4.09Å; M553-N559 HydrophobicContact SD-CB 3.82Å; T557-N559 HydrophobicContact CG2-CB 3.71Å; T557-N559 PolarHBondContact O-N 2.95Å; N559-P572 VanDerWaalsContact O-CD 3.31Å; N559-P572 WeakPolarHBondContact O-CD 3.44Å; N559-I575 WeakPolarHBondContact O-CG2 3.38Å
560	A	97.7	Very high	96.7	Very high	5 Å²	5	25.1 Å²	25.1	4%	0.041	14%	0.138	C	C	.	.			trans	-143.2	167.2	167.1	0	0	0	0	0	109.4	V570 F571 V597 E601	A560-V570 WeakPolarHBondContact CA-O 3.42Å; A560-V570 WeakPolarHBondContact CB-O 3.39Å; A560-F571 HydrophobicContact CB-CD1 3.71Å; A560-F571 HydrophobicContact CB-CE1 3.97Å; A560-V597 HydrophobicContact CB-CG1 3.66Å; A560-E601 HydrophobicContact CB-CG 3.83Å; A560-E601 WeakPolarHBondContact CB-OE1 3.28Å
561	Y	98.1	Very high	97	Very high	27 Å²	27	21.5 Å²	21.5	11%	0.106	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	157.6	173.7	70.6	-82.1	0	0	0	113.8	W551 S552 M553 M563 I569 V570 E601	W551-Y561 WeakPolarHBondContact CA-OH 3.49Å; S552-Y561 PolarHBondContact N-OH 3.43Å; M553-Y561 HydrophobicContact CB-CD1 4.31Å; M553-Y561 HydrophobicContact CB-CE1 3.93Å; M553-Y561 HydrophobicContact CE-CD1 3.82Å; M553-Y561 HydrophobicContact CE-CG 4.2Å; M553-Y561 HydrophobicContact CG-CD1 3.75Å; M553-Y561 HydrophobicContact CG-CE1 3.79Å; M553-Y561 HydrophobicContact SD-CD1 3.53Å; M553-Y561 VanDerWaalsContact SD-CD1 3.53Å; M553-Y561 HydrophobicContact SD-CE1 4.12Å; M553-Y561 HydrophobicContact SD-CG 4.47Å; Y561-M563 HydrophobicContact CD2-CB 4.36Å; Y561-M563 HydrophobicContact CE2-CB 4.15Å; Y561-M563 HydrophobicContact CE2-CE 3.97Å; Y561-I569 WeakPolarHBondContact O-CA 3.23Å; Y561-V570 HydrophobicContact CD1-CB 3.8Å; Y561-V570 HydrophobicContact CD1-CG1 4.35Å; Y561-V570 HydrophobicContact CD1-CG2 4.37Å; Y561-V570 HydrophobicContact CD2-CG2 4.37Å; Y561-V570 HydrophobicContact CE1-CB 3.32Å; Y561-V570 HydrophobicContact CE1-CG1 3.56Å; Y561-V570 HydrophobicContact CE1-CG2 3.7Å; Y561-V570 HydrophobicContact CE2-CB 4.17Å; Y561-V570 HydrophobicContact CE2-CG2 3.67Å; Y561-V570 HydrophobicContact CG-CB 4.41Å; Y561-V570 PolarHBondContact N-O 2.71Å; Y561-V570 VanDerWaalsContact N-O 3.17Å; Y561-V570 PolarHBondContact O-N 3.38Å; Y561-V570 VanDerWaalsContact OH-CG2 3.27Å; Y561-V570 WeakPolarHBondContact OH-CG2 3.29Å; Y561-E601 WeakPolarHBondContact CA-OE2 3.48Å
562	Y	98.4	Very high	97.2	Very high	25 Å²	25	20.5 Å²	20.5	10%	0.098	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.5	164.8	170.4	-105.1	0	0	0	110.9	P564 N567 G568 I569 E601 H604 A605	Y562-P564 HydrophobicContact CD1-CG 4.13Å; Y562-P564 HydrophobicContact CE1-CB 3.95Å; Y562-P564 HydrophobicContact CE1-CG 3.7Å; Y562-N567 PolarHBondContact OH-OD1 3.47Å; Y562-G568 WeakPolarHBondContact CA-O 3.44Å; Y562-G568 WeakPolarHBondContact CD2-O 3.28Å; Y562-I569 HydrophobicContact CD2-CG2 3.74Å; Y562-I569 HydrophobicContact CG-CG2 4.44Å; Y562-E601 PolarHBondContact N-OE2 3.43Å; Y562-H604 HydrophobicContact CD1-CB 3.62Å; Y562-H604 HydrophobicContact CG-CB 3.8Å; Y562-A605 HydrophobicContact CD2-CB 4.31Å; Y562-A605 HydrophobicContact CE1-CB 4.25Å; Y562-A605 HydrophobicContact CE2-CB 3.62Å; Y562-A605 VanDerWaalsContact CZ-CA 3.4Å
563	M	97.4	Very high	97.3	Very high	29 Å²	29	16.4 Å²	16.4	14%	0.143	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	111	174.5	-179.4	165.7	17.2	0	0	110.9	Y561 T565 K566 N567 G568	Y561-M563 HydrophobicContact CD2-CB 4.36Å; Y561-M563 HydrophobicContact CE2-CB 4.15Å; Y561-M563 HydrophobicContact CE2-CE 3.97Å; M563-T565 PolarHBondContact O-N 2.84Å; M563-K566 HydrophobicContact CE-CD 3.33Å; M563-K566 HydrophobicContact CE-CG 3.9Å; M563-K566 HydrophobicContact CG-CB 4.36Å; M563-K566 HydrophobicContact CG-CG 4.06Å; M563-K566 PolarHBondContact O-N 3Å; M563-K566 HydrophobicContact SD-CD 3.81Å; M563-K566 VanDerWaalsContact SD-CE 3.54Å; M563-K566 HydrophobicContact SD-CG 3.8Å; M563-N567 PolarHBondContact O-N 3.48Å; M563-N567 VanDerWaalsContact O-N 3.1Å; M563-G568 PolarHBondContact N-O 2.85Å; M563-G568 PolarHBondContact O-N 3.49Å
564	P	97.7	Very high	97.2	Very high	36 Å²	36	14.5 Å²	14.5	23%	0.234	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-57.5	-44.3	-174.7	-24	29.8	0	0	0	114.6	Y562 K566 N567 Y613 G617	Y562-P564 HydrophobicContact CD1-CG 4.13Å; Y562-P564 HydrophobicContact CE1-CB 3.95Å; Y562-P564 HydrophobicContact CE1-CG 3.7Å; P564-K566 PolarHBondContact O-N 2.89Å; P564-N567 PolarHBondContact O-N 3.06Å; P564-N567 VanDerWaalsContact O-N 3.07Å; P564-Y613 HydrophobicContact CB-CD1 3.84Å; P564-Y613 HydrophobicContact CB-CD2 3.51Å; P564-Y613 HydrophobicContact CB-CE1 3.96Å; P564-Y613 HydrophobicContact CB-CE2 3.65Å; P564-Y613 HydrophobicContact CB-CG 3.59Å; P564-Y613 HydrophobicContact CG-CD2 4.38Å; P564-Y613 HydrophobicContact CG-CE2 4.23Å; P564-G617 VanDerWaalsContact O-CA 3.25Å; P564-G617 WeakPolarHBondContact O-CA 3.31Å
565	T	97.3	Very high	97.1	Very high	22 Å²	22	13.5 Å²	13.5	14%	0.135	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-69.4	-17.5	-176.2	52	0	0	0	0	114.2	T237 S242 M563 Y613 G617	T237-T565 HydrophobicContact CG2-CG2 4.06Å; S242-T565 VanDerWaalsContact CB-O 3.29Å; S242-T565 WeakPolarHBondContact CB-O 3.22Å; M563-T565 PolarHBondContact O-N 2.84Å; T565-Y613 HydrophobicContact CG2-CE1 3.91Å; T565-G617 WeakPolarHBondContact CA-O 3.4Å
566	K	96.8	Very high	97	Very high	14 Å²	14	14.2 Å²	14.2	6%	0.061	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-101.2	-11.5	173.7	-57	-164.1	-172.5	-176.7	0	112.7	N547 K548 Q550 M563 P564 G568	N547-K566 WeakPolarHBondContact O-CE 3.34Å; N547-K566 PolarHBondContact O-NZ 3.37Å; K548-K566 PolarHBondContact NZ-O 3.42Å; Q550-K566 PolarHBondContact O-NZ 3.48Å; M563-K566 HydrophobicContact CE-CD 3.33Å; M563-K566 HydrophobicContact CE-CG 3.9Å; M563-K566 HydrophobicContact CG-CB 4.36Å; M563-K566 HydrophobicContact CG-CG 4.06Å; M563-K566 PolarHBondContact O-N 3Å; M563-K566 HydrophobicContact SD-CD 3.81Å; M563-K566 VanDerWaalsContact SD-CE 3.54Å; M563-K566 HydrophobicContact SD-CG 3.8Å; P564-K566 PolarHBondContact O-N 2.89Å; K566-G568 PolarHBondContact O-N 2.97Å
567	N	98	Very high	96.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.1	54.3	-163.4	-170	33.5	0	0	0	109.9	K489 A492 I493 Y494 Y562 M563 P564 K615	K489-N567 PolarHBondContact O-ND2 3.25Å; A492-N567 PolarHBondContact O-ND2 3.39Å; I493-N567 CarbonylContact C-O 2.89Å; I493-N567 VanDerWaalsContact CA-O 3.28Å; I493-N567 WeakPolarHBondContact CA-O 3.45Å; I493-N567 WeakPolarHBondContact CG1-OD1 3.48Å; Y494-N567 PolarHBondContact N-O 3.5Å; Y562-N567 PolarHBondContact OH-OD1 3.47Å; M563-N567 PolarHBondContact O-N 3.48Å; M563-N567 VanDerWaalsContact O-N 3.1Å; P564-N567 PolarHBondContact O-N 3.06Å; P564-N567 VanDerWaalsContact O-N 3.07Å; N567-K615 PolarHBondContact ND2-O 3.45Å; N567-K615 VanDerWaalsContact ND2-O 3.14Å
568	G	97.1	Very high	96.4	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.1	-170.8	0	0	0	0	0	113	Y494 Y562 M563 K566	Y494-G568 CarbonylContact O-C 3.53Å; Y494-G568 WeakPolarHBondContact O-CA 3.29Å; Y562-G568 WeakPolarHBondContact CA-O 3.44Å; Y562-G568 WeakPolarHBondContact CD2-O 3.28Å; M563-G568 PolarHBondContact N-O 2.85Å; M563-G568 PolarHBondContact O-N 3.49Å; K566-G568 PolarHBondContact O-N 2.97Å
569	I	97.9	Very high	96	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	140.1	177.4	58.1	-179.3	0	0	0	110.1	I461 I493 Y494 D495 M496 Y561 Y562 F571 E601	I461-I569 HydrophobicContact CD1-CD1 3.46Å; I461-I569 VanDerWaalsContact CD1-CD1 3.46Å; I461-I569 HydrophobicContact CG1-CD1 3.75Å; I493-I569 HydrophobicContact CG2-CB 4.41Å; I493-I569 HydrophobicContact CG2-CD1 3.89Å; I493-I569 HydrophobicContact CG2-CG1 3.76Å; I493-I569 HydrophobicContact CG2-CG2 3.99Å; Y494-I569 PolarHBondContact O-N 2.87Å; D495-I569 VanDerWaalsContact OD1-CD1 3.25Å; D495-I569 WeakPolarHBondContact OD1-CD1 3.16Å; D495-I569 VanDerWaalsContact OD1-CG1 3.28Å; D495-I569 WeakPolarHBondContact OD1-CG1 3.43Å; M496-I569 PolarHBondContact N-O 2.94Å; Y561-I569 WeakPolarHBondContact O-CA 3.23Å; Y562-I569 HydrophobicContact CD2-CG2 3.74Å; Y562-I569 HydrophobicContact CG-CG2 4.44Å; I569-F571 HydrophobicContact CB-CE2 4.08Å; I569-F571 HydrophobicContact CB-CZ 4.24Å; I569-F571 HydrophobicContact CD1-CE2 3.78Å; I569-F571 HydrophobicContact CD1-CZ 4.04Å; I569-F571 HydrophobicContact CG1-CE2 3.82Å; I569-F571 HydrophobicContact CG1-CZ 4.31Å; I569-E601 HydrophobicContact CB-CB 4Å; I569-E601 HydrophobicContact CG2-CB 3.67Å; I569-E601 WeakPolarHBondContact CG2-O 3.34Å
570	V	97.6	Very high	95.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	129.6	-170.5	-170.8	0	0	0	0	111.6	M496 W551 A560 Y561	M496-V570 HydrophobicContact CB-CB 4.28Å; M496-V570 HydrophobicContact CB-CG1 4.02Å; M496-V570 HydrophobicContact CB-CG2 3.94Å; M496-V570 HydrophobicContact CE-CG2 3.34Å; M496-V570 CarbonylContact O-C 3.49Å; M496-V570 WeakPolarHBondContact O-CA 3.15Å; M496-V570 HydrophobicContact SD-CG2 4.14Å; W551-V570 HydrophobicContact CD2-CG1 3.72Å; W551-V570 HydrophobicContact CE3-CG1 3.3Å; W551-V570 HydrophobicContact CH2-CG1 3.78Å; W551-V570 HydrophobicContact CZ2-CG1 4.21Å; W551-V570 HydrophobicContact CZ3-CG1 3.32Å; A560-V570 WeakPolarHBondContact CA-O 3.42Å; A560-V570 WeakPolarHBondContact CB-O 3.39Å; Y561-V570 HydrophobicContact CD1-CB 3.8Å; Y561-V570 HydrophobicContact CD1-CG1 4.35Å; Y561-V570 HydrophobicContact CD1-CG2 4.37Å; Y561-V570 HydrophobicContact CD2-CG2 4.37Å; Y561-V570 HydrophobicContact CE1-CB 3.32Å; Y561-V570 HydrophobicContact CE1-CG1 3.56Å; Y561-V570 HydrophobicContact CE1-CG2 3.7Å; Y561-V570 HydrophobicContact CE2-CB 4.17Å; Y561-V570 HydrophobicContact CE2-CG2 3.67Å; Y561-V570 HydrophobicContact CG-CB 4.41Å; Y561-V570 PolarHBondContact N-O 2.71Å; Y561-V570 VanDerWaalsContact N-O 3.17Å; Y561-V570 PolarHBondContact O-N 3.38Å; Y561-V570 VanDerWaalsContact OH-CG2 3.27Å; Y561-V570 WeakPolarHBondContact OH-CG2 3.29Å
571	F	97.1	Very high	95.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	90.8	179.5	-53	-81.7	0	0	0	109.9	I461 M496 I497 G498 A560 I569 I575 V597 M598 E601	I461-F571 HydrophobicContact CD1-CE2 4.44Å; I461-F571 HydrophobicContact CD1-CZ 4.44Å; M496-F571 PolarHBondContact O-N 2.78Å; I497-F571 HydrophobicContact CG1-CD2 4.12Å; G498-F571 PolarHBondContact N-O 3.28Å; A560-F571 HydrophobicContact CB-CD1 3.71Å; A560-F571 HydrophobicContact CB-CE1 3.97Å; I569-F571 HydrophobicContact CB-CE2 4.08Å; I569-F571 HydrophobicContact CB-CZ 4.24Å; I569-F571 HydrophobicContact CD1-CE2 3.78Å; I569-F571 HydrophobicContact CD1-CZ 4.04Å; I569-F571 HydrophobicContact CG1-CE2 3.82Å; I569-F571 HydrophobicContact CG1-CZ 4.31Å; F571-I575 HydrophobicContact CB-CG2 4.48Å; F571-V597 HydrophobicContact CD1-CG1 4.37Å; F571-V597 HydrophobicContact CE1-CG1 4.15Å; F571-M598 HydrophobicContact CD1-CG 4.35Å; F571-M598 HydrophobicContact CE1-CB 4.31Å; F571-M598 HydrophobicContact CE1-CG 3.78Å; F571-M598 HydrophobicContact CE2-CG 4.18Å; F571-M598 HydrophobicContact CZ-CB 4.12Å; F571-M598 HydrophobicContact CZ-CG 3.7Å; F571-E601 HydrophobicContact CE1-CB 4.23Å; F571-E601 HydrophobicContact CE1-CG 3.63Å; F571-E601 HydrophobicContact CZ-CB 3.97Å; F571-E601 HydrophobicContact CZ-CG 3.88Å
572	P	97	Very high	95	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	148.5	172.6	-26.9	33.9	0	0	0	114	G498 W551 M553 T557 N559 G574 I575	G498-P572 CarbonylContact O-C 3.48Å; W551-P572 HydrophobicContact CZ3-CG 4.4Å; M553-P572 HydrophobicContact CB-CG 4.04Å; M553-P572 HydrophobicContact SD-CG 4.42Å; T557-P572 WeakPolarHBondContact O-CB 3.14Å; N559-P572 VanDerWaalsContact O-CD 3.31Å; N559-P572 WeakPolarHBondContact O-CD 3.44Å; P572-G574 PolarHBondContact O-N 3.2Å; P572-G574 VanDerWaalsContact O-N 3.08Å; P572-I575 WeakPolarHBondContact O-CG2 3.36Å; P572-I575 PolarHBondContact O-N 2.95Å; P572-I575 VanDerWaalsContact O-N 3.09Å
573	A	95.6	Very high	94.5	Very high	5 Å²	5	19.2 Å²	19.2	4%	0.041	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-53.8	-32.6	177.7	0	0	0	0	0	112.4	F444 V445 F449 G498 P555 I575 L576	F444-A573 HydrophobicContact CD1-CB 4.36Å; F444-A573 HydrophobicContact CE1-CB 4.03Å; V445-A573 HydrophobicContact CG2-CB 4.24Å; F449-A573 HydrophobicContact CD2-CB 3.54Å; F449-A573 HydrophobicContact CE2-CB 3.93Å; F449-A573 HydrophobicContact CG-CB 4.27Å; G498-A573 PolarHBondContact O-N 2.96Å; P555-A573 PolarHBondContact O-N 2.86Å; A573-I575 VanDerWaalsContact C-N 3.28Å; A573-I575 PolarHBondContact O-N 3.1Å; A573-L576 PolarHBondContact O-N 2.92Å; A573-L576 VanDerWaalsContact O-N 3.13Å
574	G	95.6	Very high	94	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-62.9	-22.2	179.5	0	0	0	0	0	115.5	P555 T557 P572 Q577	P555-G574 PolarHBondContact O-N 2.84Å; T557-G574 CarbonylContact O-C 3.57Å; T557-G574 WeakPolarHBondContact O-CA 3.13Å; P572-G574 PolarHBondContact O-N 3.2Å; P572-G574 VanDerWaalsContact O-N 3.08Å; G574-Q577 PolarHBondContact O-NE2 3.35Å
575	I	95.4	Very high	93.7	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-93	-16.9	173.5	-157.9	165.7	0	0	0	113.1	F142 V558 N559 F571 P572 A573 Q577 F580 I594 V597	F142-I575 HydrophobicContact CE1-CD1 4.43Å; V558-I575 HydrophobicContact CG1-CG1 4.46Å; N559-I575 WeakPolarHBondContact O-CG2 3.38Å; F571-I575 HydrophobicContact CB-CG2 4.48Å; P572-I575 WeakPolarHBondContact O-CG2 3.36Å; P572-I575 PolarHBondContact O-N 2.95Å; P572-I575 VanDerWaalsContact O-N 3.09Å; A573-I575 VanDerWaalsContact C-N 3.28Å; A573-I575 PolarHBondContact O-N 3.1Å; I575-Q577 PolarHBondContact O-N 3.38Å; I575-F580 HydrophobicContact CD1-CD1 4.36Å; I575-F580 HydrophobicContact CD1-CE1 4.18Å; I575-F580 HydrophobicContact CD1-CZ 4.42Å; I575-F580 HydrophobicContact CG1-CD1 4.17Å; I575-F580 HydrophobicContact CG1-CD2 4.03Å; I575-F580 HydrophobicContact CG1-CE1 4.3Å; I575-F580 HydrophobicContact CG1-CE2 4.21Å; I575-F580 HydrophobicContact CG1-CG 4.03Å; I575-F580 HydrophobicContact CG1-CZ 4.35Å; I575-F580 WeakPolarHBondContact O-CB 3.45Å; I575-I594 HydrophobicContact CG2-CD1 4.08Å; I575-V597 HydrophobicContact CD1-CG1 4.16Å
576	L	93.5	Very high	93.5	Very high	15 Å²	15	20.1 Å²	20.1	8%	0.079	11%	0.113	C	C	.	.	S	Bend	trans	-81.5	52.1	-177.3	-63.7	173.3	0	0	0	112.1	F449 A457 I497 A573 I594	F449-L576 HydrophobicContact CE2-CB 4.32Å; F449-L576 HydrophobicContact CE2-CD1 3.75Å; F449-L576 HydrophobicContact CZ-CD1 4.04Å; A457-L576 HydrophobicContact CB-CD2 4.35Å; I497-L576 HydrophobicContact CG2-CD1 3.78Å; A573-L576 PolarHBondContact O-N 2.92Å; A573-L576 VanDerWaalsContact O-N 3.13Å; L576-I594 HydrophobicContact CD2-CD1 3.84Å; L576-I594 HydrophobicContact CD2-CG1 3.87Å
577	Q	91.9	Very high	93.5	Very high	48 Å²	48	21.4 Å²	21.4	22%	0.224	12%	0.118	C	C	.	.	S	Bend	trans	-149.3	171.1	-179.6	59.2	-176.1	-28	0	0	111.8	I145 N149 G574 I575 F580 Y581	I145-Q577 VanDerWaalsContact CG2-CD 3.41Å; I145-Q577 HydrophobicContact CG2-CG 3.78Å; N149-Q577 PolarHBondContact ND2-NE2 3.32Å; N149-Q577 PolarHBondContact OD1-NE2 2.91Å; G574-Q577 PolarHBondContact O-NE2 3.35Å; I575-Q577 PolarHBondContact O-N 3.38Å; Q577-F580 WeakPolarHBondContact O-CB 3.5Å; Q577-F580 PolarHBondContact O-N 3.2Å; Q577-Y581 CarbonylContact C-O 3.58Å; Q577-Y581 WeakPolarHBondContact CA-O 3.45Å; Q577-Y581 PolarHBondContact O-N 3.35Å
578	A	89.9	Confident	93.4	Very high	45 Å²	45	21.4 Å²	21.4	37%	0.372	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	141.7	-175.2	0	0	0	0	0	111.4	I145 Y581	I145-A578 WeakPolarHBondContact CD1-O 3.47Å; A578-Y581 PolarHBondContact N-O 3.48Å
579	P	89.9	Confident	93.4	Very high	52 Å²	52	21.8 Å²	21.8	34%	0.338	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91.9	4.3	6.5	36.3	-31.3	0	0	0	114.4	T141	T141-P579 HydrophobicContact CG2-CG 3.31Å
580	F	90.8	Very high	93.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-46.9	177.7	-62.6	-88.8	0	0	0	111.3	F142 I145 V558 I575 Q577 I594 V597 V706	F142-F580 HydrophobicContact CD1-CE2 4.49Å; F142-F580 AromaticContact CD1-CZ 3.84Å; F142-F580 HydrophobicContact CD1-CZ 3.84Å; F142-F580 HydrophobicContact CD2-CZ 4.17Å; F142-F580 AromaticContact CE1-CE1 3.96Å; F142-F580 HydrophobicContact CE1-CE1 3.96Å; F142-F580 HydrophobicContact CE1-CE2 4.45Å; F142-F580 AromaticContact CE1-CZ 3.46Å; F142-F580 HydrophobicContact CE1-CZ 3.46Å; F142-F580 VanDerWaalsContact CE1-CZ 3.46Å; F142-F580 HydrophobicContact CE2-CE1 4.31Å; F142-F580 AromaticContact CE2-CZ 3.8Å; F142-F580 HydrophobicContact CE2-CZ 3.8Å; F142-F580 HydrophobicContact CG-CZ 4.19Å; F142-F580 AromaticContact CZ-CE1 3.72Å; F142-F580 HydrophobicContact CZ-CE1 3.72Å; F142-F580 AromaticContact CZ-CZ 3.44Å; F142-F580 HydrophobicContact CZ-CZ 3.44Å; F142-F580 VanDerWaalsContact CZ-CZ 3.44Å; I145-F580 HydrophobicContact CD1-CD2 3.7Å; I145-F580 HydrophobicContact CD1-CE2 3.47Å; I145-F580 VanDerWaalsContact CD1-CE2 3.47Å; V558-F580 HydrophobicContact CG1-CE2 4.48Å; I575-F580 HydrophobicContact CD1-CD1 4.36Å; I575-F580 HydrophobicContact CD1-CE1 4.18Å; I575-F580 HydrophobicContact CD1-CZ 4.42Å; I575-F580 HydrophobicContact CG1-CD1 4.17Å; I575-F580 HydrophobicContact CG1-CD2 4.03Å; I575-F580 HydrophobicContact CG1-CE1 4.3Å; I575-F580 HydrophobicContact CG1-CE2 4.21Å; I575-F580 HydrophobicContact CG1-CG 4.03Å; I575-F580 HydrophobicContact CG1-CZ 4.35Å; I575-F580 WeakPolarHBondContact O-CB 3.45Å; Q577-F580 WeakPolarHBondContact O-CB 3.5Å; Q577-F580 PolarHBondContact O-N 3.2Å; F580-I594 HydrophobicContact CB-CB 4.22Å; F580-I594 HydrophobicContact CB-CD1 4.43Å; F580-I594 WeakPolarHBondContact O-CB 3.47Å; F580-I594 PolarHBondContact O-N 2.78Å; F580-V597 HydrophobicContact CD1-CG2 3.94Å; F580-V597 HydrophobicContact CE1-CG2 4.1Å; F580-V706 HydrophobicContact CD1-CG1 4.02Å; F580-V706 HydrophobicContact CD1-CG2 3.99Å; F580-V706 HydrophobicContact CE1-CB 4.25Å; F580-V706 HydrophobicContact CE1-CG1 3.22Å; F580-V706 HydrophobicContact CE1-CG2 4.01Å; F580-V706 HydrophobicContact CZ-CG1 3.66Å
581	Y	91.6	Very high	93.4	Very high	5 Å²	5	21.9 Å²	21.9	2%	0.02	12%	0.12	C	C	.	.			trans	-145.3	135.2	-176.1	173.4	-101.1	0	0	0	111.4	I456 M460 Q577 A578 I594	I456-Y581 VanDerWaalsContact CD1-OH 3.26Å; I456-Y581 WeakPolarHBondContact CD1-OH 3.38Å; I456-Y581 HydrophobicContact CG2-CE2 3.77Å; M460-Y581 HydrophobicContact SD-CD2 4.49Å; M460-Y581 HydrophobicContact SD-CE2 4.46Å; Q577-Y581 CarbonylContact C-O 3.58Å; Q577-Y581 WeakPolarHBondContact CA-O 3.45Å; Q577-Y581 PolarHBondContact O-N 3.35Å; A578-Y581 PolarHBondContact N-O 3.48Å; Y581-I594 HydrophobicContact CD2-CG2 4.04Å; Y581-I594 HydrophobicContact CG-CG2 4.38Å
582	A	89.6	Confident	93.5	Very high	14 Å²	14	21.9 Å²	21.9	12%	0.116	12%	0.121	C	C	.	.			trans	-147.7	141.9	157.3	0	0	0	0	0	109.7	D584 H585 N590	A582-D584 PolarHBondContact O-N 2.67Å; A582-H585 HydrophobicContact CB-CB 4.12Å; A582-H585 PolarHBondContact O-N 3.3Å; A582-N590 PolarHBondContact N-OD1 3.21Å; A582-N590 VanDerWaalsContact N-OD1 3.15Å; A582-N590 PolarHBondContact O-ND2 2.7Å; A582-N590 PolarHBondContact O-OD1 2.85Å
583	H	86.3	Confident	93.5	Very high	116 Å²	116	22 Å²	22	54%	0.537	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.4	-174.9	77	-73.4	0	0	0	113.2	I456	I456-H583 HydrophobicContact CD1-CB 4.42Å
584	D	87.1	Confident	93.6	Very high	74 Å²	74	21.9 Å²	21.9	40%	0.396	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	0.4	-175.3	59.8	-10.6	0	0	0	114.1	A96 A582	A96-D584 HydrophobicContact CB-CB 4Å; A96-D584 WeakPolarHBondContact CB-OD2 3.37Å; A582-D584 PolarHBondContact O-N 2.67Å
585	H	91.4	Very high	93.7	Very high	25 Å²	25	21.9 Å²	21.9	12%	0.116	12%	0.12	C	C	.	.	S	Bend	trans	-78.4	153.1	172.1	-78.2	-161.8	0	0	0	111.6	A582 K587	A582-H585 HydrophobicContact CB-CB 4.12Å; A582-H585 PolarHBondContact O-N 3.3Å; H585-K587 PolarHBondContact O-N 3Å
586	P	94.4	Very high	93.8	Very high	8 Å²	8	22.1 Å²	22.1	5%	0.052	12%	0.122	C	C	.	.			trans	-50.8	138.6	168.1	-25.7	32.5	0	0	0	112.2	S588 L589 N590 L688	P586-S588 WeakPolarHBondContact CB-OG 3.47Å; P586-S588 PolarHBondContact O-N 2.81Å; P586-L589 HydrophobicContact CG-CD1 4.44Å; P586-L589 WeakPolarHBondContact O-CB 3.44Å; P586-L589 PolarHBondContact O-N 3.25Å; P586-N590 PolarHBondContact O-N 2.86Å; P586-L688 HydrophobicContact CG-CD1 4.36Å; P586-L688 HydrophobicContact CG-CD2 3.65Å; P586-L688 HydrophobicContact CG-CG 3.99Å
587	K	95.6	Very high	94.1	Very high	41 Å²	41	22.3 Å²	22.3	18%	0.178	12%	0.124	C	C	.	.	H	α-helix	trans	-60.9	-33.7	177.9	-61.7	-55.5	-173	-175	0	112	H585 L589 N590 F591 Y675 W678 E685	H585-K587 PolarHBondContact O-N 3Å; K587-L589 PolarHBondContact O-N 3.05Å; K587-N590 PolarHBondContact O-N 3.49Å; K587-F591 HydrophobicContact CB-CD2 4.12Å; K587-F591 HydrophobicContact CB-CE2 4.32Å; K587-F591 WeakPolarHBondContact O-CB 3.33Å; K587-F591 WeakPolarHBondContact O-CD2 3.37Å; K587-F591 PolarHBondContact O-N 2.95Å; K587-Y675 HydrophobicContact CB-CE2 4.22Å; K587-W678 HydrophobicContact CB-CD2 4.38Å; K587-W678 HydrophobicContact CB-CE3 4.29Å; K587-W678 HydrophobicContact CB-CH2 4.38Å; K587-W678 HydrophobicContact CB-CZ2 4.46Å; K587-W678 HydrophobicContact CB-CZ3 4.3Å; K587-W678 HydrophobicContact CG-CD2 4.26Å; K587-W678 HydrophobicContact CG-CE3 4.41Å; K587-W678 HydrophobicContact CG-CH2 3.79Å; K587-W678 HydrophobicContact CG-CZ2 3.59Å; K587-W678 HydrophobicContact CG-CZ3 4.2Å; K587-E685 WeakPolarHBondContact CB-OE1 3.24Å; K587-E685 PolarHBondContact N-OE1 2.62Å; K587-E685 PolarHBondContact N-OE2 3.32Å
588	S	97.2	Very high	94.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-46.9	-44.1	167	40	0	0	0	0	113.6	P586 G592 Y675 E685 N695 F699	P586-S588 WeakPolarHBondContact CB-OG 3.47Å; P586-S588 PolarHBondContact O-N 2.81Å; S588-G592 PolarHBondContact O-N 3.47Å; S588-Y675 WeakPolarHBondContact CB-OH 3.46Å; S588-E685 PolarHBondContact N-OE2 2.05Å; S588-N695 VanDerWaalsContact CB-O 3.22Å; S588-N695 WeakPolarHBondContact CB-O 3.48Å; S588-F699 WeakPolarHBondContact O-CA 3.35Å
589	L	97.1	Very high	94.8	Very high	9 Å²	9	17.9 Å²	17.9	5%	0.047	10%	0.095	C	C	.	.	H	α-helix	trans	-74.6	-43	178	-68.6	177.9	0	0	0	112.1	V100 I104 P586 K587 F591 G592 G593 L688 L698	V100-L589 HydrophobicContact CG1-CD1 4.26Å; V100-L589 HydrophobicContact CG2-CD1 3.61Å; I104-L589 HydrophobicContact CD1-CD1 3.81Å; I104-L589 HydrophobicContact CD1-CD2 3.89Å; I104-L589 HydrophobicContact CD1-CG 4.49Å; P586-L589 HydrophobicContact CG-CD1 4.44Å; P586-L589 WeakPolarHBondContact O-CB 3.44Å; P586-L589 PolarHBondContact O-N 3.25Å; K587-L589 PolarHBondContact O-N 3.05Å; L589-F591 PolarHBondContact O-N 3.36Å; L589-G592 CarbonylContact O-C 3.34Å; L589-G592 PolarHBondContact O-N 3.1Å; L589-G593 PolarHBondContact O-N 3.32Å; L589-L688 HydrophobicContact CD1-CD1 4.24Å; L589-L698 HydrophobicContact CD1-CD2 4.48Å; L589-L698 HydrophobicContact CD2-CD1 3.77Å; L589-L698 HydrophobicContact CD2-CD2 4.27Å; L589-L698 HydrophobicContact CD2-CG 3.63Å; L589-L698 HydrophobicContact CG-CD1 4.42Å; L589-L698 HydrophobicContact CG-CD2 4.06Å; L589-L698 HydrophobicContact CG-CG 3.96Å
590	N	96.6	Very high	95.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.4	-43.5	178.2	-71.4	-11	0	0	0	111.6	M460 A582 P586 K587 G593 I594 G595	M460-N590 HydrophobicContact CE-CB 3.96Å; M460-N590 HydrophobicContact SD-CB 4.3Å; A582-N590 PolarHBondContact N-OD1 3.21Å; A582-N590 VanDerWaalsContact N-OD1 3.15Å; A582-N590 PolarHBondContact O-ND2 2.7Å; A582-N590 PolarHBondContact O-OD1 2.85Å; P586-N590 PolarHBondContact O-N 2.86Å; K587-N590 PolarHBondContact O-N 3.49Å; N590-G593 CarbonylContact O-C 3.52Å; N590-G593 PolarHBondContact O-N 3.23Å; N590-I594 WeakPolarHBondContact O-CG2 3.13Å; N590-I594 PolarHBondContact O-N 3.34Å; N590-I594 VanDerWaalsContact O-N 3.09Å; N590-G595 PolarHBondContact O-N 3.24Å
591	F	98.3	Very high	95.6	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	8%	0.084	C	C	.	.	H	α-helix	trans	-67.1	-36.4	174.2	-82.4	-74.1	0	0	0	112.1	M460 E463 I464 K587 L589 G593 G595 V596 A674 Y675 W678 F699	M460-F591 HydrophobicContact CE-CD1 4.16Å; M460-F591 HydrophobicContact CE-CE1 4.25Å; M460-F591 HydrophobicContact CE-CG 4.28Å; M460-F591 HydrophobicContact CE-CZ 4.47Å; M460-F591 HydrophobicContact CG-CZ 4.43Å; E463-F591 VanDerWaalsContact OE2-CZ 3.27Å; E463-F591 WeakPolarHBondContact OE2-CZ 3.48Å; I464-F591 HydrophobicContact CG1-CD1 4.49Å; I464-F591 HydrophobicContact CG1-CE1 4.25Å; K587-F591 HydrophobicContact CB-CD2 4.12Å; K587-F591 HydrophobicContact CB-CE2 4.32Å; K587-F591 WeakPolarHBondContact O-CB 3.33Å; K587-F591 WeakPolarHBondContact O-CD2 3.37Å; K587-F591 PolarHBondContact O-N 2.95Å; L589-F591 PolarHBondContact O-N 3.36Å; F591-G593 VanDerWaalsContact C-N 3.33Å; F591-G595 CarbonylContact O-C 3.08Å; F591-G595 WeakPolarHBondContact O-CA 3.38Å; F591-V596 WeakPolarHBondContact O-CG2 3.45Å; F591-V596 PolarHBondContact O-N 2.89Å; F591-A674 HydrophobicContact CD1-CB 4.12Å; F591-A674 HydrophobicContact CE1-CB 3.72Å; F591-Y675 HydrophobicContact CB-CD2 4.39Å; F591-Y675 HydrophobicContact CB-CG 4.32Å; F591-Y675 AromaticContact CD2-CD2 3.67Å; F591-Y675 HydrophobicContact CD2-CD2 3.67Å; F591-Y675 HydrophobicContact CD2-CG 4.26Å; F591-Y675 HydrophobicContact CE2-CD2 4.34Å; F591-Y675 HydrophobicContact CG-CD2 4.28Å; F591-Y675 HydrophobicContact CG-CG 4.44Å; F591-W678 HydrophobicContact CE2-CB 4.04Å; F591-W678 HydrophobicContact CE2-CG 4.03Å; F591-W678 HydrophobicContact CZ-CB 4.31Å; F591-F699 HydrophobicContact CB-CD2 3.92Å; F591-F699 HydrophobicContact CB-CE2 3.83Å; F591-F699 WeakPolarHBondContact O-CE2 3.09Å
592	G	98.1	Very high	95.9	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-72.5	-23.7	175.6	0	0	0	0	0	114	S588 L589 V596 F699 F703	S588-G592 PolarHBondContact O-N 3.47Å; L589-G592 CarbonylContact O-C 3.34Å; L589-G592 PolarHBondContact O-N 3.1Å; G592-V596 VanDerWaalsContact O-CG2 3.26Å; G592-V596 WeakPolarHBondContact O-CG2 3.37Å; G592-F699 VanDerWaalsContact N-CD2 3.34Å; G592-F703 WeakPolarHBondContact O-CA 3.38Å; G592-F703 WeakPolarHBondContact O-CB 3.48Å; G592-F703 PolarHBondContact O-N 3.03Å
593	G	97.1	Very high	96.4	Very high	3 Å²	3	15.5 Å²	15.5	3%	0.031	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-98.6	177	0	0	0	0	0	111.4	L589 N590 F591 G595 V596 V597	L589-G593 PolarHBondContact O-N 3.32Å; N590-G593 CarbonylContact O-C 3.52Å; N590-G593 PolarHBondContact O-N 3.23Å; F591-G593 VanDerWaalsContact C-N 3.33Å; G593-G595 PolarHBondContact O-N 3.22Å; G593-V596 PolarHBondContact O-N 3.18Å; G593-V596 VanDerWaalsContact O-N 3.09Å; G593-V597 PolarHBondContact O-N 2.66Å
594	I	97.4	Very high	97	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-60.2	-30.7	-177.2	-165.4	64.7	0	0	0	112.6	M460 I575 L576 F580 Y581 N590 V596 V597 M598	M460-I594 HydrophobicContact CE-CG2 3.7Å; M460-I594 HydrophobicContact SD-CG2 4.28Å; I575-I594 HydrophobicContact CG2-CD1 4.08Å; L576-I594 HydrophobicContact CD2-CD1 3.84Å; L576-I594 HydrophobicContact CD2-CG1 3.87Å; F580-I594 HydrophobicContact CB-CB 4.22Å; F580-I594 HydrophobicContact CB-CD1 4.43Å; F580-I594 WeakPolarHBondContact O-CB 3.47Å; F580-I594 PolarHBondContact O-N 2.78Å; Y581-I594 HydrophobicContact CD2-CG2 4.04Å; Y581-I594 HydrophobicContact CG-CG2 4.38Å; N590-I594 WeakPolarHBondContact O-CG2 3.13Å; N590-I594 PolarHBondContact O-N 3.34Å; N590-I594 VanDerWaalsContact O-N 3.09Å; I594-V596 VanDerWaalsContact C-N 3.35Å; I594-V596 PolarHBondContact O-N 2.81Å; I594-V597 HydrophobicContact CD1-CB 4.3Å; I594-V597 PolarHBondContact O-N 3.49Å; I594-M598 HydrophobicContact CG1-CE 3.97Å; I594-M598 HydrophobicContact CG1-CG 4.46Å; I594-M598 HydrophobicContact CG1-SD 4.43Å; I594-M598 WeakPolarHBondContact O-CB 3.36Å; I594-M598 WeakPolarHBondContact O-CG 3.22Å; I594-M598 PolarHBondContact O-N 3.1Å
595	G	98.3	Very high	97.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-65.1	-37.1	176.7	0	0	0	0	0	112.9	I464 N590 F591 G593 M598 G599 A671	I464-G595 VanDerWaalsContact CD1-O 3.32Å; I464-G595 WeakPolarHBondContact CD1-O 3.42Å; N590-G595 PolarHBondContact O-N 3.24Å; F591-G595 CarbonylContact O-C 3.08Å; F591-G595 WeakPolarHBondContact O-CA 3.38Å; G593-G595 PolarHBondContact O-N 3.22Å; G595-M598 PolarHBondContact O-N 3.32Å; G595-G599 PolarHBondContact O-N 3.18Å; G595-A671 WeakPolarHBondContact O-CB 3.37Å
596	V	98.8	Very high	97.9	Very high	7 Å²	7	6 Å²	6	4%	0.042	3%	0.031	C	C	.	.	H	α-helix	trans	-67.9	-40.9	173.6	178.8	0	0	0	0	110.5	F591 G592 G593 I594 M598 G599 H600 L668 A671 F699 F703	F591-V596 WeakPolarHBondContact O-CG2 3.45Å; F591-V596 PolarHBondContact O-N 2.89Å; G592-V596 VanDerWaalsContact O-CG2 3.26Å; G592-V596 WeakPolarHBondContact O-CG2 3.37Å; G593-V596 PolarHBondContact O-N 3.18Å; G593-V596 VanDerWaalsContact O-N 3.09Å; I594-V596 VanDerWaalsContact C-N 3.35Å; I594-V596 PolarHBondContact O-N 2.81Å; V596-M598 VanDerWaalsContact C-N 3.34Å; V596-M598 PolarHBondContact O-N 3.43Å; V596-G599 PolarHBondContact O-N 2.9Å; V596-H600 VanDerWaalsContact O-CB 3.27Å; V596-H600 WeakPolarHBondContact O-CB 3.37Å; V596-H600 PolarHBondContact O-N 2.99Å; V596-L668 HydrophobicContact CG1-CB 4.36Å; V596-L668 HydrophobicContact CG1-CD1 4.49Å; V596-L668 HydrophobicContact CG2-CD1 3.8Å; V596-A671 HydrophobicContact CB-CB 4.49Å; V596-A671 HydrophobicContact CG2-CB 3.88Å; V596-F699 HydrophobicContact CG2-CZ 4.04Å; V596-F703 HydrophobicContact CB-CD2 4.24Å; V596-F703 HydrophobicContact CG1-CD2 3.74Å; V596-F703 HydrophobicContact CG1-CE2 3.87Å; V596-F703 HydrophobicContact CG2-CB 4.48Å; V596-F703 HydrophobicContact CG2-CD2 4.08Å
597	V	98.5	Very high	98.1	Very high	18 Å²	18	6 Å²	6	11%	0.109	3%	0.03	C	C	.	.	H	α-helix	trans	-60.2	-45.3	174.5	-178.7	0	0	0	0	110.6	A560 F571 I575 F580 G593 I594 G599 H600 E601	A560-V597 HydrophobicContact CB-CG1 3.66Å; F571-V597 HydrophobicContact CD1-CG1 4.37Å; F571-V597 HydrophobicContact CE1-CG1 4.15Å; I575-V597 HydrophobicContact CD1-CG1 4.16Å; F580-V597 HydrophobicContact CD1-CG2 3.94Å; F580-V597 HydrophobicContact CE1-CG2 4.1Å; G593-V597 PolarHBondContact O-N 2.66Å; I594-V597 HydrophobicContact CD1-CB 4.3Å; I594-V597 PolarHBondContact O-N 3.49Å; V597-G599 PolarHBondContact O-N 3.43Å; V597-H600 WeakPolarHBondContact O-CB 3.26Å; V597-H600 PolarHBondContact O-N 3.37Å; V597-H600 VanDerWaalsContact O-N 3.15Å; V597-E601 WeakPolarHBondContact O-CG 3.47Å; V597-E601 PolarHBondContact O-N 3.44Å
598	M	98.5	Very high	98.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-59.5	-43.6	175	-79.3	172.2	175.5	0	0	112.9	A457 M460 I461 I464 F571 I594 G595 V596 H600 L602	A457-M598 HydrophobicContact CB-CE 3.8Å; A457-M598 WeakPolarHBondContact O-CE 3.18Å; M460-M598 HydrophobicContact CB-CE 4.41Å; M460-M598 HydrophobicContact CB-SD 3.91Å; I461-M598 HydrophobicContact CB-CE 4.49Å; I461-M598 HydrophobicContact CB-CG 4.49Å; I461-M598 HydrophobicContact CB-SD 4.07Å; I461-M598 HydrophobicContact CD1-CB 3.69Å; I461-M598 HydrophobicContact CD1-CG 4.01Å; I464-M598 HydrophobicContact CD1-CB 3.55Å; I464-M598 HydrophobicContact CD1-CG 4.37Å; I464-M598 HydrophobicContact CD1-SD 3.91Å; F571-M598 HydrophobicContact CD1-CG 4.35Å; F571-M598 HydrophobicContact CE1-CB 4.31Å; F571-M598 HydrophobicContact CE1-CG 3.78Å; F571-M598 HydrophobicContact CE2-CG 4.18Å; F571-M598 HydrophobicContact CZ-CB 4.12Å; F571-M598 HydrophobicContact CZ-CG 3.7Å; I594-M598 HydrophobicContact CG1-CE 3.97Å; I594-M598 HydrophobicContact CG1-CG 4.46Å; I594-M598 HydrophobicContact CG1-SD 4.43Å; I594-M598 WeakPolarHBondContact O-CB 3.36Å; I594-M598 WeakPolarHBondContact O-CG 3.22Å; I594-M598 PolarHBondContact O-N 3.1Å; G595-M598 PolarHBondContact O-N 3.32Å; V596-M598 VanDerWaalsContact C-N 3.34Å; V596-M598 PolarHBondContact O-N 3.43Å; M598-H600 VanDerWaalsContact C-N 3.33Å; M598-L602 WeakPolarHBondContact O-CB 3.4Å; M598-L602 PolarHBondContact O-N 3.49Å; M598-L602 VanDerWaalsContact O-N 3.1Å
599	G	98.6	Very high	98.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-67.3	-33.8	175	0	0	0	0	0	113	G595 V596 V597 T603 G667	G595-G599 PolarHBondContact O-N 3.18Å; V596-G599 PolarHBondContact O-N 2.9Å; V597-G599 PolarHBondContact O-N 3.43Å; G599-T603 WeakPolarHBondContact O-CB 3.38Å; G599-T603 PolarHBondContact O-N 2.63Å; G599-T603 PolarHBondContact O-OG1 3.17Å; G599-G667 WeakPolarHBondContact O-CA 3.41Å
600	H	98.8	Very high	98.2	Very high	12 Å²	12	7.2 Å²	7.2	6%	0.056	4%	0.038	C	C	.	.	H	α-helix	trans	-64	-52.2	177.4	177.4	94.7	0	0	0	110.3	V596 V597 M598 L602 T603 H604 E660 A663 D664 R731	V596-H600 VanDerWaalsContact O-CB 3.27Å; V596-H600 WeakPolarHBondContact O-CB 3.37Å; V596-H600 PolarHBondContact O-N 2.99Å; V597-H600 WeakPolarHBondContact O-CB 3.26Å; V597-H600 PolarHBondContact O-N 3.37Å; V597-H600 VanDerWaalsContact O-N 3.15Å; M598-H600 VanDerWaalsContact C-N 3.33Å; H600-L602 VanDerWaalsContact C-N 3.32Å; H600-L602 PolarHBondContact O-N 3.02Å; H600-T603 WeakPolarHBondContact O-CA 3.49Å; H600-T603 WeakPolarHBondContact O-CB 3.32Å; H600-T603 PolarHBondContact O-N 2.75Å; H600-H604 AromaticContact CD2-CD2 3.78Å; H600-H604 AromaticContact CD2-NE2 3.53Å; H600-H604 AromaticContact CE1-NE2 3.76Å; H600-H604 AromaticContact NE2-CD2 3.81Å; H600-H604 AromaticContact NE2-CE1 3.95Å; H600-H604 AromaticContact NE2-NE2 3.06Å; H600-H604 PolarHBondContact NE2-NE2 3.39Å; H600-H604 PolarHBondContact O-N 3.31Å; H600-E660 IonicContact CE1-OE2 3.19Å; H600-E660 PolarHBondContact CE1-OE2 3.12Å; H600-E660 VanDerWaalsContact CE1-OE2 3.23Å; H600-E660 IonicContact NE2-OE2 3.83Å; H600-E660 PolarHBondContact NE2-OE2 3.39Å; H600-E660 VanDerWaalsContact NE2-OE2 3.16Å; H600-A663 WeakPolarHBondContact CE1-CB 3.42Å; H600-A663 VanDerWaalsContact ND1-CB 3.31Å; H600-A663 WeakPolarHBondContact ND1-CB 3.39Å; H600-D664 IonicContact CE1-OD1 3.33Å; H600-D664 PolarHBondContact CE1-OD1 3.49Å; H600-D664 PolarHBondContact ND1-N 3.22Å; H600-D664 IonicContact ND1-OD1 3.81Å; H600-D664 PolarHBondContact ND1-OD1 3.02Å; H600-R731 PolarHBondContact CE1-NH2 3.39Å
601	E	98.7	Very high	98.3	Very high	9 Å²	9	8.4 Å²	8.4	4%	0.042	4%	0.042	C	C	.	.	H	α-helix	trans	-62.2	-37.9	176.2	-56.9	-47.7	149.4	0	0	112.9	A560 Y561 Y562 I569 F571 V597 T603 H604	A560-E601 HydrophobicContact CB-CG 3.83Å; A560-E601 WeakPolarHBondContact CB-OE1 3.28Å; Y561-E601 WeakPolarHBondContact CA-OE2 3.48Å; Y562-E601 PolarHBondContact N-OE2 3.43Å; I569-E601 HydrophobicContact CB-CB 4Å; I569-E601 HydrophobicContact CG2-CB 3.67Å; I569-E601 WeakPolarHBondContact CG2-O 3.34Å; F571-E601 HydrophobicContact CE1-CB 4.23Å; F571-E601 HydrophobicContact CE1-CG 3.63Å; F571-E601 HydrophobicContact CZ-CB 3.97Å; F571-E601 HydrophobicContact CZ-CG 3.88Å; V597-E601 WeakPolarHBondContact O-CG 3.47Å; V597-E601 PolarHBondContact O-N 3.44Å; E601-T603 VanDerWaalsContact C-N 3.28Å; E601-T603 PolarHBondContact O-N 3.27Å; E601-H604 PolarHBondContact O-N 2.93Å; E601-H604 IonicContact OE2-CD2 3.34Å; E601-H604 PolarHBondContact OE2-CD2 2.71Å
602	L	98.7	Very high	98.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62.7	-38.6	173.6	-173.8	107.9	0	0	0	111.4	R465 F468 I493 M598 H600 A605 F606	R465-L602 HydrophobicContact CB-CD1 4.06Å; R465-L602 HydrophobicContact CG-CD1 4.23Å; F468-L602 HydrophobicContact CB-CD2 3.35Å; F468-L602 HydrophobicContact CD1-CD2 3.76Å; F468-L602 HydrophobicContact CD2-CD2 3.62Å; F468-L602 HydrophobicContact CE1-CD2 4.45Å; F468-L602 HydrophobicContact CE2-CD2 4.32Å; F468-L602 HydrophobicContact CG-CD2 3.3Å; I493-L602 HydrophobicContact CD1-CD1 3.71Å; I493-L602 HydrophobicContact CD1-CG 4.07Å; M598-L602 WeakPolarHBondContact O-CB 3.4Å; M598-L602 PolarHBondContact O-N 3.49Å; M598-L602 VanDerWaalsContact O-N 3.1Å; H600-L602 VanDerWaalsContact C-N 3.32Å; H600-L602 PolarHBondContact O-N 3.02Å; L602-A605 WeakPolarHBondContact O-CB 3.43Å; L602-A605 PolarHBondContact O-N 3.19Å; L602-F606 WeakPolarHBondContact O-CD2 3.08Å
603	T	98.8	Very high	98.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-72.8	-28.5	-179	-56.8	0	0	0	0	112	G599 H600 E601 A605 F606 D607 I662 A663 G667 W763	G599-T603 WeakPolarHBondContact O-CB 3.38Å; G599-T603 PolarHBondContact O-N 2.63Å; G599-T603 PolarHBondContact O-OG1 3.17Å; H600-T603 WeakPolarHBondContact O-CA 3.49Å; H600-T603 WeakPolarHBondContact O-CB 3.32Å; H600-T603 PolarHBondContact O-N 2.75Å; E601-T603 VanDerWaalsContact C-N 3.28Å; E601-T603 PolarHBondContact O-N 3.27Å; T603-A605 PolarHBondContact O-N 3.32Å; T603-A605 VanDerWaalsContact O-N 3.16Å; T603-F606 CarbonylContact O-C 3.48Å; T603-F606 WeakPolarHBondContact O-CA 3.39Å; T603-F606 PolarHBondContact O-N 3Å; T603-D607 PolarHBondContact O-N 3.04Å; T603-D607 VanDerWaalsContact O-N 3.1Å; T603-I662 HydrophobicContact CG2-CG2 4.08Å; T603-A663 HydrophobicContact CG2-CB 4.46Å; T603-G667 PolarHBondContact OG1-N 3.12Å; T603-W763 HydrophobicContact CG2-CB 4.5Å; T603-W763 VanDerWaalsContact CG2-CD1 3.45Å; T603-W763 HydrophobicContact CG2-CG 4.14Å
604	H	98.8	Very high	98.4	Very high	16 Å²	16	9.5 Å²	9.5	7%	0.074	5%	0.046	C	C	.	.	H	α-helix	trans	-57.1	-26.8	171	-82.9	-52.2	0	0	0	113.2	Y562 H600 E601 F606 D607 G610 E660	Y562-H604 HydrophobicContact CD1-CB 3.62Å; Y562-H604 HydrophobicContact CG-CB 3.8Å; H600-H604 AromaticContact CD2-CD2 3.78Å; H600-H604 AromaticContact CD2-NE2 3.53Å; H600-H604 AromaticContact CE1-NE2 3.76Å; H600-H604 AromaticContact NE2-CD2 3.81Å; H600-H604 AromaticContact NE2-CE1 3.95Å; H600-H604 AromaticContact NE2-NE2 3.06Å; H600-H604 PolarHBondContact NE2-NE2 3.39Å; H600-H604 PolarHBondContact O-N 3.31Å; E601-H604 PolarHBondContact O-N 2.93Å; E601-H604 IonicContact OE2-CD2 3.34Å; E601-H604 PolarHBondContact OE2-CD2 2.71Å; H604-F606 PolarHBondContact O-N 2.99Å; H604-D607 IonicContact CE1-OD2 2.67Å; H604-D607 IonicContact CG-OD2 3.95Å; H604-D607 IonicContact ND1-OD2 2.7Å; H604-D607 PolarHBondContact ND1-OD2 3.43Å; H604-D607 PolarHBondContact O-N 2.95Å; H604-G610 WeakPolarHBondContact O-CA 3.5Å; H604-E660 IonicContact CE1-OE1 2.95Å; H604-E660 PolarHBondContact CE1-OE1 3.19Å; H604-E660 IonicContact CE1-OE2 2.6Å; H604-E660 IonicContact NE2-OE1 2.69Å; H604-E660 IonicContact NE2-OE2 3.29Å; H604-E660 PolarHBondContact NE2-OE2 3.32Å
605	A	98.6	Very high	98.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-12	171.2	0	0	0	0	0	113.7	K489 I493 Y562 L602 T603 G610	K489-A605 WeakPolarHBondContact CE-O 3.29Å; K489-A605 PolarHBondContact NZ-O 3.43Å; I493-A605 HydrophobicContact CD1-CB 3.89Å; Y562-A605 HydrophobicContact CD2-CB 4.31Å; Y562-A605 HydrophobicContact CE1-CB 4.25Å; Y562-A605 HydrophobicContact CE2-CB 3.62Å; Y562-A605 VanDerWaalsContact CZ-CA 3.4Å; L602-A605 WeakPolarHBondContact O-CB 3.43Å; L602-A605 PolarHBondContact O-N 3.19Å; T603-A605 PolarHBondContact O-N 3.32Å; T603-A605 VanDerWaalsContact O-N 3.16Å; A605-G610 CarbonylContact O-C 3.38Å; A605-G610 VanDerWaalsContact O-C 3.24Å
606	F	98.6	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136	11.4	-174.5	-50.8	-84.9	0	0	0	113.2	F468 A486 K489 A490 I493 L602 T603 H604 W622 W763	F468-F606 HydrophobicContact CD1-CE2 4.42Å; F468-F606 AromaticContact CE1-CD2 3.75Å; F468-F606 HydrophobicContact CE1-CD2 3.75Å; F468-F606 AromaticContact CE1-CE2 3.47Å; F468-F606 HydrophobicContact CE1-CE2 3.47Å; F468-F606 VanDerWaalsContact CE1-CE2 3.47Å; F468-F606 HydrophobicContact CE1-CG 4.44Å; F468-F606 AromaticContact CE1-CZ 3.95Å; F468-F606 HydrophobicContact CE1-CZ 3.95Å; F468-F606 HydrophobicContact CE2-CD2 4.31Å; F468-F606 AromaticContact CZ-CD2 3.39Å; F468-F606 HydrophobicContact CZ-CD2 3.39Å; F468-F606 AromaticContact CZ-CE2 3.65Å; F468-F606 HydrophobicContact CZ-CE2 3.65Å; F468-F606 AromaticContact CZ-CG 3.96Å; F468-F606 HydrophobicContact CZ-CG 3.96Å; F468-F606 HydrophobicContact CZ-CZ 4.39Å; A486-F606 HydrophobicContact CB-CD1 4.4Å; A486-F606 HydrophobicContact CB-CE1 3.92Å; A486-F606 WeakPolarHBondContact O-CE1 3.38Å; A486-F606 WeakPolarHBondContact O-CZ 3.27Å; K489-F606 HydrophobicContact CB-CE1 4.02Å; K489-F606 HydrophobicContact CB-CZ 4.13Å; K489-F606 HydrophobicContact CD-CD1 4.46Å; K489-F606 HydrophobicContact CD-CE1 3.85Å; K489-F606 HydrophobicContact CD-CZ 4.23Å; K489-F606 HydrophobicContact CG-CE1 4.06Å; K489-F606 HydrophobicContact CG-CZ 4.04Å; A490-F606 HydrophobicContact CB-CE2 4.29Å; A490-F606 HydrophobicContact CB-CZ 3.91Å; I493-F606 HydrophobicContact CD1-CE2 4.38Å; L602-F606 WeakPolarHBondContact O-CD2 3.08Å; T603-F606 CarbonylContact O-C 3.48Å; T603-F606 WeakPolarHBondContact O-CA 3.39Å; T603-F606 PolarHBondContact O-N 3Å; H604-F606 PolarHBondContact O-N 2.99Å; F606-W622 HydrophobicContact CD1-CH2 4.2Å; F606-W622 HydrophobicContact CE1-CH2 4.07Å; F606-W763 HydrophobicContact CB-CD2 4.11Å; F606-W763 VanDerWaalsContact CB-CE2 3.45Å; F606-W763 HydrophobicContact CB-CH2 3.83Å; F606-W763 HydrophobicContact CB-CZ2 3.36Å; F606-W763 HydrophobicContact CB-CZ3 4.39Å; F606-W763 HydrophobicContact CD1-CH2 4.37Å; F606-W763 HydrophobicContact CG-CH2 4.42Å; F606-W763 HydrophobicContact CG-CZ2 4.38Å; F606-W763 WeakPolarHBondContact O-CZ2 3.4Å; F606-W763 PolarHBondContact O-NE1 2.96Å
607	D	98.5	Very high	98.4	Very high	7 Å²	7	16.8 Å²	16.8	4%	0.037	8%	0.078	C	C	.	.	S	Bend	trans	-71.5	-168.1	173.6	71.9	18.1	0	0	0	112.1	T603 H604 Q609 G610 R611 I662	T603-D607 PolarHBondContact O-N 3.04Å; T603-D607 VanDerWaalsContact O-N 3.1Å; H604-D607 IonicContact CE1-OD2 2.67Å; H604-D607 IonicContact CG-OD2 3.95Å; H604-D607 IonicContact ND1-OD2 2.7Å; H604-D607 PolarHBondContact ND1-OD2 3.43Å; H604-D607 PolarHBondContact O-N 2.95Å; D607-Q609 PolarHBondContact O-N 3.44Å; D607-Q609 WeakPolarHBondContact OD1-CA 3.16Å; D607-Q609 PolarHBondContact OD1-N 3.44Å; D607-G610 PolarHBondContact OD1-N 3.43Å; D607-R611 VanDerWaalsContact O-CB 3.25Å; D607-R611 WeakPolarHBondContact O-CB 3.38Å; D607-R611 WeakPolarHBondContact O-CG 3.29Å; D607-R611 PolarHBondContact O-N 3.4Å; D607-I662 HydrophobicContact CB-CB 4.35Å; D607-I662 HydrophobicContact CB-CD1 4.5Å; D607-I662 HydrophobicContact CB-CG2 4.18Å
608	D	97.4	Very high	98.4	Very high	19 Å²	19	17 Å²	17	10%	0.102	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25	-178.1	61.8	-48.4	0	0	0	114.2	R318 R611 F631 L658 G659	R318-D608 IonicContact CZ-OD1 3.53Å; R318-D608 IonicContact CZ-OD2 2.71Å; R318-D608 IonicContact NE-OD1 2.75Å; R318-D608 IonicContact NE-OD2 3.34Å; R318-D608 PolarHBondContact NE-OD2 3.01Å; R318-D608 IonicContact NH2-OD1 3.54Å; R318-D608 PolarHBondContact NH2-OD1 3.04Å; R318-D608 IonicContact NH2-OD2 2.78Å; R318-D608 PolarHBondContact NH2-OD2 3.41Å; D608-R611 PolarHBondContact O-NH2 2.91Å; D608-F631 HydrophobicContact CB-CE1 4.43Å; D608-L658 HydrophobicContact CB-CD2 4.26Å; D608-G659 WeakPolarHBondContact OD1-CA 3.18Å; D608-G659 PolarHBondContact OD1-N 2.78Å
609	Q	97.8	Very high	98.4	Very high	57 Å²	57	17.3 Å²	17.3	27%	0.266	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-54.7	178.7	-77.2	177.1	-57.2	0	0	112.2	R318 D607 R611 E612 Y613	R318-Q609 WeakPolarHBondContact O-CG 3.44Å; D607-Q609 PolarHBondContact O-N 3.44Å; D607-Q609 WeakPolarHBondContact OD1-CA 3.16Å; D607-Q609 PolarHBondContact OD1-N 3.44Å; Q609-R611 PolarHBondContact O-N 2.96Å; Q609-E612 WeakPolarHBondContact O-CB 3.4Å; Q609-E612 WeakPolarHBondContact O-CG 3.13Å; Q609-E612 PolarHBondContact O-N 3.05Å; Q609-Y613 WeakPolarHBondContact O-CD2 3.48Å
610	G	98.2	Very high	98.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.01	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-62.6	-29.2	-175	0	0	0	0	0	113.1	K489 H604 A605 D607 E612 Y613	K489-G610 PolarHBondContact NZ-O 3.45Å; H604-G610 WeakPolarHBondContact O-CA 3.5Å; A605-G610 CarbonylContact O-C 3.38Å; A605-G610 VanDerWaalsContact O-C 3.24Å; D607-G610 PolarHBondContact OD1-N 3.43Å; G610-E612 PolarHBondContact O-N 3.1Å; G610-E612 VanDerWaalsContact O-N 3.13Å; G610-Y613 PolarHBondContact O-N 2.97Å
611	R	98.1	Very high	98.2	Very high	25 Å²	25	28 Å²	28	9%	0.094	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-59.9	-21.3	173.1	75.7	165.8	175.3	62.1	25.7	113.3	D607 D608 Q609 Y613 W622 W623	D607-R611 VanDerWaalsContact O-CB 3.25Å; D607-R611 WeakPolarHBondContact O-CB 3.38Å; D607-R611 WeakPolarHBondContact O-CG 3.29Å; D607-R611 PolarHBondContact O-N 3.4Å; D608-R611 PolarHBondContact O-NH2 2.91Å; Q609-R611 PolarHBondContact O-N 2.96Å; R611-Y613 PolarHBondContact O-N 3.27Å; R611-W622 VanDerWaalsContact O-CE2 3.25Å; R611-W622 WeakPolarHBondContact O-CZ2 3.24Å; R611-W622 PolarHBondContact O-NE1 3.33Å; R611-W623 HydrophobicContact CB-CH2 4.11Å; R611-W623 HydrophobicContact CB-CZ2 3.87Å
612	E	98.4	Very high	98.1	Very high	11 Å²	11	29.9 Å²	29.9	5%	0.051	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-77.7	-15.3	-176.5	-54.7	-166.9	154.5	0	0	112	E320 E321 Q609 G610 L619 R620	E320-E612 PolarHBondContact N-OE2 2.91Å; E320-E612 VanDerWaalsContact N-OE2 3.15Å; E321-E612 PolarHBondContact N-OE2 3.23Å; Q609-E612 WeakPolarHBondContact O-CB 3.4Å; Q609-E612 WeakPolarHBondContact O-CG 3.13Å; Q609-E612 PolarHBondContact O-N 3.05Å; G610-E612 PolarHBondContact O-N 3.1Å; G610-E612 VanDerWaalsContact O-N 3.13Å; E612-L619 HydrophobicContact CB-CD1 3.49Å; E612-L619 VanDerWaalsContact CB-CD1 3.49Å; E612-L619 WeakPolarHBondContact O-CA 3.28Å; E612-R620 PolarHBondContact O-N 3.49Å
613	Y	98.7	Very high	98.1	Very high	13 Å²	13	30.9 Å²	30.9	5%	0.051	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-97.2	136.2	178.2	-63.5	-99.9	0	0	0	110.4	P239 E320 K489 P564 T565 Q609 G610 R611 G617 N618 L619 W622	P239-Y613 HydrophobicContact CB-CE1 4.12Å; E320-Y613 HydrophobicContact CB-CE2 4.49Å; E320-Y613 HydrophobicContact CG-CE2 4.46Å; E320-Y613 VanDerWaalsContact CG-OH 3.31Å; E320-Y613 WeakPolarHBondContact CG-OH 3.39Å; E320-Y613 PolarHBondContact OE1-OH 3.25Å; K489-Y613 WeakPolarHBondContact CE-O 3.4Å; K489-Y613 PolarHBondContact NZ-O 3.38Å; P564-Y613 HydrophobicContact CB-CD1 3.84Å; P564-Y613 HydrophobicContact CB-CD2 3.51Å; P564-Y613 HydrophobicContact CB-CE1 3.96Å; P564-Y613 HydrophobicContact CB-CE2 3.65Å; P564-Y613 HydrophobicContact CB-CG 3.59Å; P564-Y613 HydrophobicContact CG-CD2 4.38Å; P564-Y613 HydrophobicContact CG-CE2 4.23Å; T565-Y613 HydrophobicContact CG2-CE1 3.91Å; Q609-Y613 WeakPolarHBondContact O-CD2 3.48Å; G610-Y613 PolarHBondContact O-N 2.97Å; R611-Y613 PolarHBondContact O-N 3.27Å; Y613-G617 WeakPolarHBondContact CD1-O 3.44Å; Y613-N618 CarbonylContact C-O 3.08Å; Y613-N618 WeakPolarHBondContact CA-O 3.44Å; Y613-L619 HydrophobicContact CD1-CB 4.21Å; Y613-L619 HydrophobicContact CD2-CD1 4.47Å; Y613-L619 HydrophobicContact CE1-CB 4.03Å; Y613-L619 HydrophobicContact CE2-CD1 4.21Å; Y613-W622 PolarHBondContact O-NE1 2.86Å
614	D	98.3	Very high	98	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	16%	0.162	C	C	.	.			trans	-73.9	-172.8	173.7	70	14.7	0	0	0	112.5	E616 G617 N618 R620 W622	D614-E616 VanDerWaalsContact C-N 3.25Å; D614-E616 PolarHBondContact O-N 2.79Å; D614-E616 VanDerWaalsContact OD1-C 3.31Å; D614-E616 VanDerWaalsContact OD1-CA 3.31Å; D614-E616 WeakPolarHBondContact OD1-CA 3.45Å; D614-E616 WeakPolarHBondContact OD1-CB 3.39Å; D614-E616 PolarHBondContact OD1-N 3.4Å; D614-G617 PolarHBondContact O-N 2.88Å; D614-G617 PolarHBondContact OD1-N 3.29Å; D614-N618 PolarHBondContact N-O 2.97Å; D614-N618 PolarHBondContact OD1-N 3.11Å; D614-N618 PolarHBondContact OD2-ND2 3.2Å; D614-R620 HydrophobicContact CB-CG 4.33Å; D614-R620 IonicContact OD2-CZ 2.89Å; D614-R620 IonicContact OD2-NE 2.7Å; D614-R620 PolarHBondContact OD2-NE 2.76Å; D614-R620 IonicContact OD2-NH2 3.06Å; D614-R620 PolarHBondContact OD2-NH2 3.28Å; D614-W622 HydrophobicContact CB-CG 4.37Å
615	K	98.3	Very high	97.9	Very high	84 Å²	84	40.5 Å²	40.5	37%	0.365	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.3	179	72.8	-178.3	-177.6	-175.7	0	114.6	D488 K489 A492 N567	D488-K615 HydrophobicContact CB-CD 4.39Å; K489-K615 HydrophobicContact CB-CB 4.01Å; K489-K615 HydrophobicContact CG-CB 4.23Å; A492-K615 HydrophobicContact CB-CB 3.89Å; N567-K615 PolarHBondContact ND2-O 3.45Å; N567-K615 VanDerWaalsContact ND2-O 3.14Å
616	E	97.8	Very high	97.8	Very high	77 Å²	77	44.3 Å²	44.3	36%	0.36	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-4.9	175.2	-65.7	84.6	-166.8	0	0	112.6	S242 D614 N618 R620	S242-E616 WeakPolarHBondContact CB-O 3.46Å; S242-E616 PolarHBondContact OG-O 2.77Å; D614-E616 VanDerWaalsContact C-N 3.25Å; D614-E616 PolarHBondContact O-N 2.79Å; D614-E616 VanDerWaalsContact OD1-C 3.31Å; D614-E616 VanDerWaalsContact OD1-CA 3.31Å; D614-E616 WeakPolarHBondContact OD1-CA 3.45Å; D614-E616 WeakPolarHBondContact OD1-CB 3.39Å; D614-E616 PolarHBondContact OD1-N 3.4Å; E616-N618 WeakPolarHBondContact CB-ND2 3.49Å; E616-R620 IonicContact OE2-NH2 2.57Å; E616-R620 PolarHBondContact OE2-NH2 3.15Å; E616-R620 VanDerWaalsContact OE2-NH2 3.13Å
617	G	97.9	Very high	97.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	85	21.9	-178.2	0	0	0	0	0	114.4	P564 T565 Y613 D614	P564-G617 VanDerWaalsContact O-CA 3.25Å; P564-G617 WeakPolarHBondContact O-CA 3.31Å; T565-G617 WeakPolarHBondContact CA-O 3.4Å; Y613-G617 WeakPolarHBondContact CD1-O 3.44Å; D614-G617 PolarHBondContact O-N 2.88Å; D614-G617 PolarHBondContact OD1-N 3.29Å
618	N	98.5	Very high	97.7	Very high	22 Å²	22	45 Å²	45	12%	0.118	23%	0.225	C	C	.	.			trans	-98.3	130.8	175.3	-53.6	-74.9	0	0	0	111.6	P239 N241 S242 Y613 D614 E616 R620	P239-N618 CarbonylContact O-C 3.57Å; P239-N618 WeakPolarHBondContact O-CA 3.1Å; N241-N618 VanDerWaalsContact CA-OD1 3.24Å; N241-N618 WeakPolarHBondContact CA-OD1 3.2Å; S242-N618 PolarHBondContact N-OD1 2.94Å; S242-N618 PolarHBondContact OG-OD1 3Å; Y613-N618 CarbonylContact C-O 3.08Å; Y613-N618 WeakPolarHBondContact CA-O 3.44Å; D614-N618 PolarHBondContact N-O 2.97Å; D614-N618 PolarHBondContact OD1-N 3.11Å; D614-N618 PolarHBondContact OD2-ND2 3.2Å; E616-N618 WeakPolarHBondContact CB-ND2 3.49Å; N618-R620 PolarHBondContact O-N 2.8Å
619	L	98.4	Very high	97.7	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.037	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-66.3	96.7	169.6	-177.4	69.3	0	0	0	109.9	P239 K240 E320 Y324 E612 Y613	P239-L619 HydrophobicContact CB-CB 4.07Å; P239-L619 HydrophobicContact CB-CD2 4.09Å; P239-L619 VanDerWaalsContact O-CB 3.29Å; P239-L619 WeakPolarHBondContact O-CB 3.35Å; P239-L619 PolarHBondContact O-N 3.23Å; K240-L619 HydrophobicContact CG-CB 4.15Å; K240-L619 HydrophobicContact CG-CD2 4.32Å; E320-L619 HydrophobicContact CB-CD1 4.07Å; E320-L619 HydrophobicContact CB-CD2 4.29Å; E320-L619 HydrophobicContact CG-CD1 4.19Å; E320-L619 HydrophobicContact CG-CD2 3.72Å; Y324-L619 HydrophobicContact CD2-CD2 4.37Å; Y324-L619 HydrophobicContact CG-CD2 4.24Å; E612-L619 HydrophobicContact CB-CD1 3.49Å; E612-L619 VanDerWaalsContact CB-CD1 3.49Å; E612-L619 WeakPolarHBondContact O-CA 3.28Å; Y613-L619 HydrophobicContact CD1-CB 4.21Å; Y613-L619 HydrophobicContact CD2-CD1 4.47Å; Y613-L619 HydrophobicContact CE1-CB 4.03Å; Y613-L619 HydrophobicContact CE2-CD1 4.21Å
620	R	97	Very high	97.7	Very high	133 Å²	133	46.8 Å²	46.8	50%	0.502	24%	0.235	S	C	.	.	S	Bend	trans	-155.3	153	175.8	62.8	172.9	176.3	-177.8	-8.5	110.6	E612 D614 E616 N618 W622	E612-R620 PolarHBondContact O-N 3.49Å; D614-R620 HydrophobicContact CB-CG 4.33Å; D614-R620 IonicContact OD2-CZ 2.89Å; D614-R620 IonicContact OD2-NE 2.7Å; D614-R620 PolarHBondContact OD2-NE 2.76Å; D614-R620 IonicContact OD2-NH2 3.06Å; D614-R620 PolarHBondContact OD2-NH2 3.28Å; E616-R620 IonicContact OE2-NH2 2.57Å; E616-R620 PolarHBondContact OE2-NH2 3.15Å; E616-R620 VanDerWaalsContact OE2-NH2 3.13Å; N618-R620 PolarHBondContact O-N 2.8Å; R620-W622 VanDerWaalsContact O-CD1 3.26Å; R620-W622 PolarHBondContact O-N 3.29Å
621	P	96.3	Very high	97.7	Very high	103 Å²	103	46.9 Å²	46.9	67%	0.669	24%	0.235	S	C	*	.			trans	-62.8	123.1	172	-22.3	33.8	0	0	0	111.6
622	W	97.6	Very high	97.7	Very high	48 Å²	48	51.1 Å²	51.1	18%	0.182	25%	0.251	C	S	.	.			trans	-132.1	5.2	174.2	61.9	-84.6	0	0	0	113.1	A485 A486 K489 F606 R611 Y613 D614 R620	A485-W622 HydrophobicContact CB-CE3 3.68Å; A485-W622 HydrophobicContact CB-CZ3 3.82Å; A486-W622 HydrophobicContact CB-CH2 4.45Å; A486-W622 HydrophobicContact CB-CZ3 4.36Å; K489-W622 HydrophobicContact CB-CH2 4.33Å; K489-W622 HydrophobicContact CD-CH2 3.79Å; K489-W622 HydrophobicContact CD-CZ2 3.68Å; F606-W622 HydrophobicContact CD1-CH2 4.2Å; F606-W622 HydrophobicContact CE1-CH2 4.07Å; R611-W622 VanDerWaalsContact O-CE2 3.25Å; R611-W622 WeakPolarHBondContact O-CZ2 3.24Å; R611-W622 PolarHBondContact O-NE1 3.33Å; Y613-W622 PolarHBondContact O-NE1 2.86Å; D614-W622 HydrophobicContact CB-CG 4.37Å; R620-W622 VanDerWaalsContact O-CD1 3.26Å; R620-W622 PolarHBondContact O-N 3.29Å
623	W	97.9	Very high	97.6	Very high	21 Å²	21	56.6 Å²	56.6	8%	0.08	28%	0.277	C	S	.	.	S	Bend	trans	-108.4	152	174	-73.6	21.9	0	0	0	110.3	W477 M478 T482 R611 V628 F631 W763	W477-W623 HydrophobicContact CH2-CH2 4.13Å; W477-W623 HydrophobicContact CH2-CZ3 4.11Å; W477-W623 HydrophobicContact CZ3-CZ3 4.07Å; M478-W623 HydrophobicContact CE-CH2 3.96Å; M478-W623 HydrophobicContact CE-CZ2 4.18Å; M478-W623 HydrophobicContact CE-CZ3 4.26Å; T482-W623 HydrophobicContact CG2-CB 3.94Å; T482-W623 HydrophobicContact CG2-CD2 3.51Å; T482-W623 HydrophobicContact CG2-CE3 4.09Å; T482-W623 HydrophobicContact CG2-CG 3.42Å; T482-W623 VanDerWaalsContact CG2-CG 3.42Å; R611-W623 HydrophobicContact CB-CH2 4.11Å; R611-W623 HydrophobicContact CB-CZ2 3.87Å; W623-V628 HydrophobicContact CB-CG2 3.65Å; W623-V628 HydrophobicContact CE3-CG2 4.12Å; W623-V628 HydrophobicContact CG-CG2 4.44Å; W623-F631 AromaticContact CH2-CD2 3.93Å; W623-F631 HydrophobicContact CH2-CD2 3.93Å; W623-F631 HydrophobicContact CH2-CE2 4.41Å; W623-F631 HydrophobicContact CH2-CG 4.31Å; W623-F631 HydrophobicContact CZ3-CB 3.76Å; W623-F631 AromaticContact CZ3-CD2 3.99Å; W623-F631 HydrophobicContact CZ3-CD2 3.99Å; W623-F631 AromaticContact CZ3-CG 3.94Å; W623-F631 HydrophobicContact CZ3-CG 3.94Å; W623-W763 AromaticContact CH2-CH2 3.4Å; W623-W763 HydrophobicContact CH2-CH2 3.4Å; W623-W763 VanDerWaalsContact CH2-CH2 3.4Å; W623-W763 AromaticContact CH2-CZ2 3.67Å; W623-W763 HydrophobicContact CH2-CZ2 3.67Å; W623-W763 AromaticContact CZ2-CH2 3.64Å; W623-W763 HydrophobicContact CZ2-CH2 3.64Å; W623-W763 HydrophobicContact CZ2-CZ2 4.12Å
624	Q	96.8	Very high	97.5	Very high	82 Å²	82	59.2 Å²	59.2	38%	0.383	29%	0.287	S	S	.	.			trans	-67.4	142.7	165	-64.6	-64.8	-17.6	0	0	110.3	D479 E481 T482 S626 S627 V628	D479-Q624 WeakPolarHBondContact OD2-CB 3.3Å; E481-Q624 PolarHBondContact OE2-NE2 3.09Å; T482-Q624 PolarHBondContact OG1-N 2.59Å; Q624-S626 PolarHBondContact O-N 3.43Å; Q624-S626 VanDerWaalsContact O-N 3.11Å; Q624-S627 PolarHBondContact O-N 2.7Å; Q624-V628 PolarHBondContact O-N 2.85Å; Q624-V628 VanDerWaalsContact O-N 3.11Å
625	N	96.8	Very high	97.4	Very high	137 Å²	137	59.5 Å²	59.5	73%	0.733	29%	0.289	S	S	*	.	H	α-helix	trans	-55.6	-33.3	-179.3	-73.9	-14.6	0	0	0	113	V628 E629	N625-V628 PolarHBondContact O-N 2.83Å; N625-E629 PolarHBondContact O-N 3.43Å
626	S	97.2	Very high	97.4	Very high	79 Å²	79	59.6 Å²	59.6	55%	0.552	29%	0.291	S	S	*	.	H	α-helix	trans	-62.3	-40.7	175.3	47.7	0	0	0	0	112.7	Q624 A630	Q624-S626 PolarHBondContact O-N 3.43Å; Q624-S626 VanDerWaalsContact O-N 3.11Å; S626-A630 VanDerWaalsContact O-CB 3.32Å; S626-A630 WeakPolarHBondContact O-CB 3.19Å; S626-A630 PolarHBondContact O-N 3.47Å
627	S	98	Very high	97.4	Very high	1 Å²	1	58 Å²	58	1%	0.007	29%	0.288	C	S	.	.	H	α-helix	trans	-72	-35.6	177.3	-76.1	0	0	0	0	111.8	D479 Q624 A630 F631	D479-S627 PolarHBondContact N-OG 2.96Å; D479-S627 VanDerWaalsContact N-OG 3.14Å; D479-S627 PolarHBondContact OD2-OG 2.88Å; Q624-S627 PolarHBondContact O-N 2.7Å; S627-A630 PolarHBondContact O-N 3.3Å; S627-F631 WeakPolarHBondContact O-CB 3.45Å; S627-F631 PolarHBondContact O-N 2.93Å
628	V	97.4	Very high	97.5	Very high	22 Å²	22	58.1 Å²	58.1	13%	0.133	29%	0.288	C	S	.	.	H	α-helix	trans	-62.5	-45.9	173.5	177.3	0	0	0	0	111.2	W623 Q624 N625 F631 R632	W623-V628 HydrophobicContact CB-CG2 3.65Å; W623-V628 HydrophobicContact CE3-CG2 4.12Å; W623-V628 HydrophobicContact CG-CG2 4.44Å; Q624-V628 PolarHBondContact O-N 2.85Å; Q624-V628 VanDerWaalsContact O-N 3.11Å; N625-V628 PolarHBondContact O-N 2.83Å; V628-F631 PolarHBondContact O-N 2.98Å; V628-R632 WeakPolarHBondContact O-CG 3.13Å; V628-R632 PolarHBondContact O-N 3.32Å
629	E	97.2	Very high	97.5	Very high	93 Å²	93	57.3 Å²	57.3	44%	0.435	28%	0.284	S	S	.	.	H	α-helix	trans	-66.5	-42.8	178.3	-178.2	54.6	-149.3	0	0	111.8	N625 F631 R632 Q633	N625-E629 PolarHBondContact O-N 3.43Å; E629-F631 VanDerWaalsContact C-N 3.31Å; E629-F631 PolarHBondContact O-N 3.3Å; E629-R632 PolarHBondContact O-N 3.18Å; E629-Q633 WeakPolarHBondContact O-CG 3.48Å; E629-Q633 PolarHBondContact O-N 3.24Å; E629-Q633 PolarHBondContact OE1-NE2 3.34Å
630	A	97.9	Very high	97.4	Very high	19 Å²	19	62.1 Å²	62.1	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-62.6	-37.1	175.5	0	0	0	0	0	112.7	W477 S626 S627 Q633 R634	W477-A630 HydrophobicContact CB-CB 4.39Å; W477-A630 HydrophobicContact CE3-CB 4.04Å; W477-A630 WeakPolarHBondContact O-CB 3.19Å; S626-A630 VanDerWaalsContact O-CB 3.32Å; S626-A630 WeakPolarHBondContact O-CB 3.19Å; S626-A630 PolarHBondContact O-N 3.47Å; S627-A630 PolarHBondContact O-N 3.3Å; A630-Q633 PolarHBondContact O-N 3.15Å; A630-R634 WeakPolarHBondContact O-CG 3.48Å; A630-R634 PolarHBondContact O-N 3.21Å
631	F	98.3	Very high	97.5	Very high	3 Å²	3	57.1 Å²	57.1	1%	0.013	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-50	173.1	175.3	-91.7	0	0	0	111.4	W477 D608 W623 S627 V628 E629 Q633 R634 T635 I662 V762 W763	W477-F631 HydrophobicContact CH2-CB 4.07Å; W477-F631 AromaticContact CH2-CD2 3.77Å; W477-F631 HydrophobicContact CH2-CD2 3.77Å; W477-F631 HydrophobicContact CH2-CG 4.42Å; W477-F631 HydrophobicContact CZ2-CD2 4.47Å; W477-F631 HydrophobicContact CZ3-CB 3.75Å; W477-F631 HydrophobicContact CZ3-CD2 4.33Å; D608-F631 HydrophobicContact CB-CE1 4.43Å; W623-F631 AromaticContact CH2-CD2 3.93Å; W623-F631 HydrophobicContact CH2-CD2 3.93Å; W623-F631 HydrophobicContact CH2-CE2 4.41Å; W623-F631 HydrophobicContact CH2-CG 4.31Å; W623-F631 HydrophobicContact CZ3-CB 3.76Å; W623-F631 AromaticContact CZ3-CD2 3.99Å; W623-F631 HydrophobicContact CZ3-CD2 3.99Å; W623-F631 AromaticContact CZ3-CG 3.94Å; W623-F631 HydrophobicContact CZ3-CG 3.94Å; S627-F631 WeakPolarHBondContact O-CB 3.45Å; S627-F631 PolarHBondContact O-N 2.93Å; V628-F631 PolarHBondContact O-N 2.98Å; E629-F631 VanDerWaalsContact C-N 3.31Å; E629-F631 PolarHBondContact O-N 3.3Å; F631-Q633 VanDerWaalsContact C-N 3.27Å; F631-Q633 PolarHBondContact O-N 3.37Å; F631-R634 PolarHBondContact O-N 3.22Å; F631-T635 HydrophobicContact CD1-CG2 3.95Å; F631-T635 HydrophobicContact CD2-CG2 4.34Å; F631-T635 HydrophobicContact CE1-CG2 3.53Å; F631-T635 HydrophobicContact CE2-CG2 3.99Å; F631-T635 HydrophobicContact CG-CG2 4.33Å; F631-T635 HydrophobicContact CZ-CG2 3.57Å; F631-T635 WeakPolarHBondContact O-CG2 3.29Å; F631-T635 PolarHBondContact O-N 2.99Å; F631-T635 PolarHBondContact O-OG1 3.23Å; F631-I662 HydrophobicContact CZ-CD1 4.19Å; F631-V762 HydrophobicContact CD2-CG1 3.72Å; F631-V762 HydrophobicContact CE2-CG1 3.5Å; F631-W763 AromaticContact CD2-CZ2 3.95Å; F631-W763 HydrophobicContact CD2-CZ2 3.95Å; F631-W763 AromaticContact CE2-CZ2 3.63Å; F631-W763 HydrophobicContact CE2-CZ2 3.63Å
632	R	96.6	Very high	97.6	Very high	114 Å²	114	52.2 Å²	52.2	43%	0.43	26%	0.256	S	S	.	.	H	α-helix	trans	-55.9	-42.5	178.1	-73.5	175.8	177.6	167.6	0.8	112.2	V628 E629 R634 T635 E636	V628-R632 WeakPolarHBondContact O-CG 3.13Å; V628-R632 PolarHBondContact O-N 3.32Å; E629-R632 PolarHBondContact O-N 3.18Å; R632-R634 VanDerWaalsContact C-N 3.29Å; R632-R634 PolarHBondContact O-N 3.33Å; R632-T635 WeakPolarHBondContact CA-OG1 3.41Å; R632-T635 PolarHBondContact O-N 3.09Å; R632-T635 PolarHBondContact O-OG1 3.45Å; R632-E636 PolarHBondContact O-N 3.14Å; R632-E636 VanDerWaalsContact O-N 3.09Å
633	Q	96.1	Very high	97.6	Very high	126 Å²	126	53.2 Å²	53.2	59%	0.589	27%	0.265	S	S	*	.	H	α-helix	trans	-62.7	-35.3	177	-70.8	172.4	12.7	0	0	112.7	E629 A630 F631	E629-Q633 WeakPolarHBondContact O-CG 3.48Å; E629-Q633 PolarHBondContact O-N 3.24Å; E629-Q633 PolarHBondContact OE1-NE2 3.34Å; A630-Q633 PolarHBondContact O-N 3.15Å; F631-Q633 VanDerWaalsContact C-N 3.27Å; F631-Q633 PolarHBondContact O-N 3.37Å
634	R	96.5	Very high	97.6	Very high	69 Å²	69	59.3 Å²	59.3	26%	0.26	30%	0.295	S	S	.	.	H	α-helix	trans	-76.8	-40.2	177.7	-73.9	-177.7	168.6	-97.5	4.4	112.7	W477 A630 F631 R632 E636 C637 E761 V762	W477-R634 VanDerWaalsContact CD1-CD 3.43Å; W477-R634 VanDerWaalsContact CG-CD 3.45Å; A630-R634 WeakPolarHBondContact O-CG 3.48Å; A630-R634 PolarHBondContact O-N 3.21Å; F631-R634 PolarHBondContact O-N 3.22Å; R632-R634 VanDerWaalsContact C-N 3.29Å; R632-R634 PolarHBondContact O-N 3.33Å; R634-E636 PolarHBondContact O-N 3.15Å; R634-C637 VanDerWaalsContact O-CB 3.23Å; R634-C637 WeakPolarHBondContact O-CB 3.4Å; R634-C637 PolarHBondContact O-N 3.47Å; R634-C637 VanDerWaalsContact O-N 3.16Å; R634-E761 WeakPolarHBondContact CD-O 3.26Å; R634-E761 PolarHBondContact NH1-O 3.21Å; R634-V762 HydrophobicContact CB-CG2 4.15Å
635	T	97.9	Very high	97.6	Very high	10 Å²	10	57.3 Å²	57.3	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-29.8	177.5	54.6	0	0	0	0	112	F631 R632 C637 M638 V639 I662 V762	F631-T635 HydrophobicContact CD1-CG2 3.95Å; F631-T635 HydrophobicContact CD2-CG2 4.34Å; F631-T635 HydrophobicContact CE1-CG2 3.53Å; F631-T635 HydrophobicContact CE2-CG2 3.99Å; F631-T635 HydrophobicContact CG-CG2 4.33Å; F631-T635 HydrophobicContact CZ-CG2 3.57Å; F631-T635 WeakPolarHBondContact O-CG2 3.29Å; F631-T635 PolarHBondContact O-N 2.99Å; F631-T635 PolarHBondContact O-OG1 3.23Å; R632-T635 WeakPolarHBondContact CA-OG1 3.41Å; R632-T635 PolarHBondContact O-N 3.09Å; R632-T635 PolarHBondContact O-OG1 3.45Å; T635-C637 PolarHBondContact O-N 3.06Å; T635-M638 PolarHBondContact O-N 2.7Å; T635-V639 PolarHBondContact O-N 3.04Å; T635-I662 HydrophobicContact CG2-CD1 3.55Å; T635-I662 HydrophobicContact CG2-CG1 4.3Å; T635-V762 HydrophobicContact CG2-CG2 4.1Å
636	E	98.2	Very high	97.6	Very high	86 Å²	86	53.9 Å²	53.9	40%	0.402	27%	0.268	S	S	.	.	H	α-helix	trans	-59	-33.2	174.4	-166	62.1	-152.6	0	0	112.2	R632 R634 M638 V639 E640	R632-E636 PolarHBondContact O-N 3.14Å; R632-E636 VanDerWaalsContact O-N 3.09Å; R634-E636 PolarHBondContact O-N 3.15Å; E636-M638 VanDerWaalsContact C-N 3.29Å; E636-M638 PolarHBondContact O-N 3.22Å; E636-V639 PolarHBondContact O-N 3.22Å; E636-E640 HydrophobicContact CG-CG 4.48Å; E636-E640 WeakPolarHBondContact O-CB 3.45Å; E636-E640 WeakPolarHBondContact O-CG 3.36Å; E636-E640 PolarHBondContact O-N 3.39Å
637	C	98	Very high	97.6	Very high	44 Å²	44	51.3 Å²	51.3	30%	0.297	25%	0.249	S	C	.	.	H	α-helix	trans	-57	-43.5	173.2	-173.3	0	0	0	0	111.7	R634 T635 Q641 C760	R634-C637 VanDerWaalsContact O-CB 3.23Å; R634-C637 WeakPolarHBondContact O-CB 3.4Å; R634-C637 PolarHBondContact O-N 3.47Å; R634-C637 VanDerWaalsContact O-N 3.16Å; T635-C637 PolarHBondContact O-N 3.06Å; C637-Q641 VanDerWaalsContact O-CB 3.28Å; C637-Q641 WeakPolarHBondContact O-CB 3.46Å; C637-Q641 PolarHBondContact O-N 3.31Å; C637-C760 HydrophobicContact CB-CB 3.78Å; C637-C760 WeakPolarHBondContact CB-SG 3.37Å; C637-C760 PolarHBondContact O-SG 2.93Å; C637-C760 WeakPolarHBondContact SG-CA 3.35Å; C637-C760 WeakPolarHBondContact SG-CB 3.46Å; C637-C760 CovalentContact SG-SG 2.05Å; C637-C760 PolarHBondContact SG-SG 3.08Å
638	M	98.3	Very high	97.4	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-72	-38.8	178.7	-68.2	-178.9	175.5	0	0	111.4	T635 E636 E640 Q641 Y642 L658 I662 N665 C760 V762	T635-M638 PolarHBondContact O-N 2.7Å; E636-M638 VanDerWaalsContact C-N 3.29Å; E636-M638 PolarHBondContact O-N 3.22Å; M638-E640 VanDerWaalsContact C-N 3.34Å; M638-E640 PolarHBondContact O-N 2.67Å; M638-Q641 PolarHBondContact O-N 3.45Å; M638-Y642 VanDerWaalsContact O-CD2 3.29Å; M638-Y642 WeakPolarHBondContact O-CD2 3.32Å; M638-Y642 PolarHBondContact O-N 3.39Å; M638-L658 HydrophobicContact CB-CD1 4.05Å; M638-I662 HydrophobicContact SD-CB 4.44Å; M638-I662 HydrophobicContact SD-CG1 3.75Å; M638-N665 HydrophobicContact CE-CB 3.63Å; M638-C760 HydrophobicContact CE-CB 4.32Å; M638-C760 HydrophobicContact CG-CB 3.74Å; M638-V762 HydrophobicContact CE-CG2 3.9Å; M638-V762 HydrophobicContact SD-CG2 4.07Å
639	V	98.5	Very high	97.2	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.024	30%	0.303	C	S	.	.	H	α-helix	trans	-56.3	-51.6	172.5	174	0	0	0	0	110.1	T635 E636 N643 K655 L658	T635-V639 PolarHBondContact O-N 3.04Å; E636-V639 PolarHBondContact O-N 3.22Å; V639-N643 WeakPolarHBondContact CG1-ND2 3.12Å; V639-N643 WeakPolarHBondContact O-CB 3.4Å; V639-N643 PolarHBondContact O-N 2.89Å; V639-N643 PolarHBondContact O-ND2 3.49Å; V639-N643 VanDerWaalsContact O-ND2 3.1Å; V639-K655 HydrophobicContact CG1-CG 3.66Å; V639-K655 HydrophobicContact CG2-CG 4.3Å; V639-L658 HydrophobicContact CG2-CD1 3.8Å; V639-L658 HydrophobicContact CG2-CD2 3.87Å; V639-L658 HydrophobicContact CG2-CG 4.29Å
640	E	98.1	Very high	97	Very high	109 Å²	109	57.5 Å²	57.5	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-59.1	-51	176.8	-72	-178	172.2	0	0	111	E636 M638 Y642 N643 H644	E636-E640 HydrophobicContact CG-CG 4.48Å; E636-E640 WeakPolarHBondContact O-CB 3.45Å; E636-E640 WeakPolarHBondContact O-CG 3.36Å; E636-E640 PolarHBondContact O-N 3.39Å; M638-E640 VanDerWaalsContact C-N 3.34Å; M638-E640 PolarHBondContact O-N 2.67Å; E640-Y642 PolarHBondContact O-N 3.4Å; E640-N643 PolarHBondContact O-N 3.43Å; E640-H644 PolarHBondContact O-CE1 3.4Å; E640-H644 PolarHBondContact O-N 3.26Å; E640-H644 PolarHBondContact O-ND1 3.03Å
641	Q	98.1	Very high	96.9	Very high	27 Å²	27	60.9 Å²	60.9	13%	0.126	32%	0.318	C	S	.	.	H	α-helix	trans	-52.6	-52.5	-179.9	178.9	-174.2	10.3	0	0	111.9	C637 M638 H644 Y645 G734 N738	C637-Q641 VanDerWaalsContact O-CB 3.28Å; C637-Q641 WeakPolarHBondContact O-CB 3.46Å; C637-Q641 PolarHBondContact O-N 3.31Å; M638-Q641 PolarHBondContact O-N 3.45Å; Q641-H644 PolarHBondContact O-N 3.43Å; Q641-Y645 HydrophobicContact CG-CE2 4.12Å; Q641-Y645 PolarHBondContact NE2-OH 3.23Å; Q641-G734 PolarHBondContact NE2-O 2.7Å; Q641-N738 PolarHBondContact NE2-ND2 2.88Å; Q641-N738 PolarHBondContact OE1-ND2 2.79Å; Q641-N738 PolarHBondContact OE1-OD1 2.75Å
642	Y	98.3	Very high	96.9	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-75.7	-27.1	-173.8	-78.2	-102.4	0	0	0	112.8	M638 E640 H644 Y645 N661 S726	M638-Y642 VanDerWaalsContact O-CD2 3.29Å; M638-Y642 WeakPolarHBondContact O-CD2 3.32Å; M638-Y642 PolarHBondContact O-N 3.39Å; E640-Y642 PolarHBondContact O-N 3.4Å; Y642-H644 PolarHBondContact O-N 3.4Å; Y642-Y645 AromaticContact CD1-CD2 3.9Å; Y642-Y645 HydrophobicContact CD1-CD2 3.9Å; Y642-Y645 HydrophobicContact CD1-CE2 4.08Å; Y642-Y645 HydrophobicContact CE1-CD2 4.47Å; Y642-Y645 HydrophobicContact CE1-CE2 4.32Å; Y642-Y645 HydrophobicContact CG-CD2 4.16Å; Y642-Y645 HydrophobicContact CG-CE2 4.21Å; Y642-Y645 PolarHBondContact O-N 3.47Å; Y642-Y645 VanDerWaalsContact O-N 3.12Å; Y642-N661 WeakPolarHBondContact CD1-ND2 3Å; Y642-N661 HydrophobicContact CD2-CB 4.23Å; Y642-N661 HydrophobicContact CE1-CB 4.3Å; Y642-N661 VanDerWaalsContact CE1-CG 3.47Å; Y642-N661 WeakPolarHBondContact CE1-OD1 3.31Å; Y642-N661 HydrophobicContact CE2-CB 3.82Å; Y642-N661 VanDerWaalsContact CG-ND2 3.28Å; Y642-S726 WeakPolarHBondContact CD1-OG 3.46Å; Y642-S726 VanDerWaalsContact CE1-OG 3.29Å; Y642-S726 WeakPolarHBondContact CE1-OG 3.47Å
643	N	98.1	Very high	96.9	Very high	69 Å²	69	57.6 Å²	57.6	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-22.6	170.5	-77.2	-25.5	0	0	0	113.7	V639 E640 Y645 I652 G654	V639-N643 WeakPolarHBondContact CG1-ND2 3.12Å; V639-N643 WeakPolarHBondContact O-CB 3.4Å; V639-N643 PolarHBondContact O-N 2.89Å; V639-N643 PolarHBondContact O-ND2 3.49Å; V639-N643 VanDerWaalsContact O-ND2 3.1Å; E640-N643 PolarHBondContact O-N 3.43Å; N643-Y645 VanDerWaalsContact C-N 3.33Å; N643-I652 PolarHBondContact OD1-O 3.2Å; N643-G654 WeakPolarHBondContact OD1-CA 3.39Å; N643-G654 PolarHBondContact OD1-N 3.07Å
644	H	96.7	Very high	97	Very high	150 Å²	150	51.6 Å²	51.6	69%	0.694	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.8	177.3	-70.5	90	0	0	0	113.2	E640 Q641 Y642	E640-H644 PolarHBondContact O-CE1 3.4Å; E640-H644 PolarHBondContact O-N 3.26Å; E640-H644 PolarHBondContact O-ND1 3.03Å; Q641-H644 PolarHBondContact O-N 3.43Å; Y642-H644 PolarHBondContact O-N 3.4Å
645	Y	97.8	Very high	97	Very high	39 Å²	39	53.8 Å²	53.8	15%	0.153	29%	0.292	C	S	.	.			trans	-83.7	146.2	178.8	-63.6	-38.5	0	0	0	111.3	Q641 Y642 N643 I652 Y730 I733	Q641-Y645 HydrophobicContact CG-CE2 4.12Å; Q641-Y645 PolarHBondContact NE2-OH 3.23Å; Y642-Y645 AromaticContact CD1-CD2 3.9Å; Y642-Y645 HydrophobicContact CD1-CD2 3.9Å; Y642-Y645 HydrophobicContact CD1-CE2 4.08Å; Y642-Y645 HydrophobicContact CE1-CD2 4.47Å; Y642-Y645 HydrophobicContact CE1-CE2 4.32Å; Y642-Y645 HydrophobicContact CG-CD2 4.16Å; Y642-Y645 HydrophobicContact CG-CE2 4.21Å; Y642-Y645 PolarHBondContact O-N 3.47Å; Y642-Y645 VanDerWaalsContact O-N 3.12Å; N643-Y645 VanDerWaalsContact C-N 3.33Å; Y645-I652 PolarHBondContact O-N 3.25Å; Y645-Y730 AromaticContact CD1-CD1 3.62Å; Y645-Y730 HydrophobicContact CD1-CD1 3.62Å; Y645-Y730 AromaticContact CD1-CE1 3.46Å; Y645-Y730 HydrophobicContact CD1-CE1 3.46Å; Y645-Y730 VanDerWaalsContact CD1-CE1 3.46Å; Y645-Y730 AromaticContact CD2-CD1 3.53Å; Y645-Y730 HydrophobicContact CD2-CD1 3.53Å; Y645-Y730 HydrophobicContact CD2-CE1 4.19Å; Y645-Y730 AromaticContact CD2-CG 3.93Å; Y645-Y730 HydrophobicContact CD2-CG 3.93Å; Y645-Y730 HydrophobicContact CE1-CD1 4.12Å; Y645-Y730 HydrophobicContact CE1-CE1 4.18Å; Y645-Y730 HydrophobicContact CE2-CD1 4.05Å; Y645-Y730 AromaticContact CG-CD1 3.32Å; Y645-Y730 HydrophobicContact CG-CD1 3.32Å; Y645-Y730 AromaticContact CG-CE1 3.48Å; Y645-Y730 HydrophobicContact CG-CE1 3.48Å; Y645-Y730 VanDerWaalsContact CG-CE1 3.48Å; Y645-Y730 AromaticContact CG-CG 3.95Å; Y645-Y730 HydrophobicContact CG-CG 3.95Å; Y645-I733 HydrophobicContact CE1-CG2 4.43Å
646	T	97.3	Very high	97	Very high	66 Å²	66	54 Å²	54	41%	0.405	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.5	179.2	60.3	0	0	0	0	111.9	E650 Y730	T646-E650 CarbonylContact C-O 3.55Å; T646-E650 WeakPolarHBondContact CA-O 3.37Å; T646-E650 WeakPolarHBondContact CB-O 3.22Å; T646-Y730 VanDerWaalsContact O-CE2 3.32Å; T646-Y730 WeakPolarHBondContact O-CE2 3.43Å; T646-Y730 PolarHBondContact O-OH 3.25Å
647	V	95.8	Very high	97	Very high	24 Å²	24	50.1 Å²	50.1	15%	0.145	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124	168.4	179.5	0	0	0	0	107.3	G649 E650 A716 L720 P727 Y730	V647-G649 PolarHBondContact O-N 3.22Å; V647-E650 PolarHBondContact N-O 2.94Å; V647-E650 WeakPolarHBondContact O-CB 3.44Å; V647-E650 PolarHBondContact O-N 3.43Å; V647-A716 HydrophobicContact CG1-CB 3.94Å; V647-L720 HydrophobicContact CB-CD1 4.23Å; V647-L720 HydrophobicContact CG2-CD2 4.47Å; V647-P727 HydrophobicContact CG2-CB 4.14Å; V647-P727 HydrophobicContact CG2-CG 3.84Å; V647-Y730 HydrophobicContact CG2-CD2 4.13Å; V647-Y730 HydrophobicContact CG2-CE2 3.67Å
648	N	93.6	Very high	97	Very high	112 Å²	112	48.8 Å²	48.8	60%	0.599	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	27.8	-178	-57	-24.8	0	0	0	114.5
649	G	93.7	Very high	97	Very high	66 Å²	66	48.7 Å²	48.7	68%	0.68	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	-1.6	-178.1	0	0	0	0	0	114.9	V647	V647-G649 PolarHBondContact O-N 3.22Å
650	E	94.1	Very high	97	Very high	69 Å²	69	49.6 Å²	49.6	32%	0.322	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.6	177.5	-59.6	-176.3	-114.7	0	0	110.6	T646 V647 H717 L720	T646-E650 CarbonylContact C-O 3.55Å; T646-E650 WeakPolarHBondContact CA-O 3.37Å; T646-E650 WeakPolarHBondContact CB-O 3.22Å; V647-E650 PolarHBondContact N-O 2.94Å; V647-E650 WeakPolarHBondContact O-CB 3.44Å; V647-E650 PolarHBondContact O-N 3.43Å; E650-H717 VanDerWaalsContact CD-ND1 3.32Å; E650-H717 IonicContact OE1-CG 3.44Å; E650-H717 IonicContact OE1-ND1 3.92Å; E650-H717 PolarHBondContact OE1-ND1 3.11Å; E650-H717 IonicContact OE2-CE1 3.29Å; E650-H717 PolarHBondContact OE2-CE1 3.18Å; E650-H717 VanDerWaalsContact OE2-CE1 3.31Å; E650-H717 IonicContact OE2-CG 3.92Å; E650-H717 IonicContact OE2-ND1 2.7Å; E650-H717 PolarHBondContact OE2-ND1 3.31Å; E650-L720 HydrophobicContact CB-CD1 3.6Å
651	P	95.9	Very high	97	Very high	90 Å²	90	44.4 Å²	44.4	58%	0.584	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	147	-179.4	31.4	-34.6	0	0	0	111.9
652	I	97.3	Very high	97.1	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.015	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-76.6	137.6	167.8	-69.8	164.4	0	0	0	109.3	N643 Y645 G654 T657 L720 P727 Y730	N643-I652 PolarHBondContact OD1-O 3.2Å; Y645-I652 PolarHBondContact O-N 3.25Å; I652-G654 PolarHBondContact O-N 3.12Å; I652-T657 HydrophobicContact CG2-CG2 4.1Å; I652-L720 HydrophobicContact CB-CD2 4.43Å; I652-L720 HydrophobicContact CG1-CD2 3.53Å; I652-P727 HydrophobicContact CD1-CG 3.93Å; I652-P727 HydrophobicContact CG1-CG 4.26Å; I652-Y730 HydrophobicContact CD1-CD2 3.35Å; I652-Y730 HydrophobicContact CD1-CE2 3.92Å; I652-Y730 HydrophobicContact CD1-CG 3.89Å
653	N	97	Very high	97.1	Very high	45 Å²	45	43.2 Å²	43.2	24%	0.241	24%	0.238	C	C	.	.			trans	-80.3	99.2	170.5	-174.4	-16.5	0	0	0	109.9	D315 K655 Q656 T657	D315-N653 PolarHBondContact OD2-ND2 3.04Å; N653-K655 PolarHBondContact O-N 2.91Å; N653-K655 WeakPolarHBondContact OD1-CB 3.14Å; N653-K655 PolarHBondContact OD1-N 2.67Å; N653-Q656 HydrophobicContact CB-CB 3.84Å; N653-Q656 PolarHBondContact O-N 3.46Å; N653-Q656 PolarHBondContact OD1-N 3.24Å; N653-Q656 VanDerWaalsContact OD1-N 3.13Å; N653-T657 PolarHBondContact O-N 2.91Å; N653-T657 PolarHBondContact O-OG1 3.04Å
654	G	97.7	Very high	97.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-20.8	179.8	0	0	0	0	0	114.3	N643 I652 L658	N643-G654 WeakPolarHBondContact OD1-CA 3.39Å; N643-G654 PolarHBondContact OD1-N 3.07Å; I652-G654 PolarHBondContact O-N 3.12Å; G654-L658 WeakPolarHBondContact O-CB 3.32Å; G654-L658 PolarHBondContact O-N 2.87Å
655	K	97.2	Very high	97.2	Very high	114 Å²	114	33.7 Å²	33.7	50%	0.496	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-44.3	173.5	-67	-175.8	177.2	-180	0	111.7	D315 R318 V639 N653 T657 L658	D315-K655 HydrophobicContact CB-CB 4.4Å; R318-K655 VanDerWaalsContact CD-O 3.29Å; R318-K655 WeakPolarHBondContact CD-O 3.45Å; V639-K655 HydrophobicContact CG1-CG 3.66Å; V639-K655 HydrophobicContact CG2-CG 4.3Å; N653-K655 PolarHBondContact O-N 2.91Å; N653-K655 WeakPolarHBondContact OD1-CB 3.14Å; N653-K655 PolarHBondContact OD1-N 2.67Å; K655-T657 VanDerWaalsContact C-N 3.25Å; K655-T657 PolarHBondContact O-N 3.15Å; K655-L658 WeakPolarHBondContact O-CB 3.47Å; K655-L658 PolarHBondContact O-N 3.06Å
656	Q	96.5	Very high	97.3	Very high	15 Å²	15	32 Å²	32	7%	0.07	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-41.5	175.3	176.6	172.3	-35.6	0	0	111.2	D315 R318 N653 V721 D723	D315-Q656 HydrophobicContact CB-CB 4.32Å; R318-Q656 PolarHBondContact NH1-O 2.87Å; N653-Q656 HydrophobicContact CB-CB 3.84Å; N653-Q656 PolarHBondContact O-N 3.46Å; N653-Q656 PolarHBondContact OD1-N 3.24Å; N653-Q656 VanDerWaalsContact OD1-N 3.13Å; Q656-V721 PolarHBondContact NE2-O 2.98Å; Q656-D723 PolarHBondContact NE2-O 3.12Å
657	T	98.3	Very high	97.3	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.031	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	3.5	-175.6	57.7	0	0	0	0	115.3	I652 N653 K655 G659 E660 N661 P724	I652-T657 HydrophobicContact CG2-CG2 4.1Å; N653-T657 PolarHBondContact O-N 2.91Å; N653-T657 PolarHBondContact O-OG1 3.04Å; K655-T657 VanDerWaalsContact C-N 3.25Å; K655-T657 PolarHBondContact O-N 3.15Å; T657-G659 PolarHBondContact O-N 3.39Å; T657-E660 PolarHBondContact O-N 3.31Å; T657-N661 WeakPolarHBondContact CB-ND2 3.47Å; T657-N661 WeakPolarHBondContact O-CB 3.01Å; T657-N661 PolarHBondContact O-N 2.98Å; T657-N661 PolarHBondContact O-ND2 2.78Å; T657-N661 PolarHBondContact O-OD1 3.45Å; T657-N661 PolarHBondContact OG1-ND2 2.92Å; T657-P724 WeakPolarHBondContact CA-O 3.37Å; T657-P724 WeakPolarHBondContact CB-O 2.98Å; T657-P724 WeakPolarHBondContact CG2-O 3.45Å
658	L	98.6	Very high	97.5	Very high	16 Å²	16	27.9 Å²	27.9	8%	0.084	16%	0.162	C	C	.	.	H	α-helix	trans	-60.1	-49.4	-166.6	-177.9	56.5	0	0	0	113.7	D608 M638 V639 G654 K655 E660 N661 I662	D608-L658 HydrophobicContact CB-CD2 4.26Å; M638-L658 HydrophobicContact CB-CD1 4.05Å; V639-L658 HydrophobicContact CG2-CD1 3.8Å; V639-L658 HydrophobicContact CG2-CD2 3.87Å; V639-L658 HydrophobicContact CG2-CG 4.29Å; G654-L658 WeakPolarHBondContact O-CB 3.32Å; G654-L658 PolarHBondContact O-N 2.87Å; K655-L658 WeakPolarHBondContact O-CB 3.47Å; K655-L658 PolarHBondContact O-N 3.06Å; L658-E660 PolarHBondContact O-N 2.75Å; L658-N661 PolarHBondContact O-N 3.01Å; L658-I662 HydrophobicContact CD1-CD1 3.87Å; L658-I662 HydrophobicContact CD1-CG1 4.05Å; L658-I662 HydrophobicContact CG-CD1 3.78Å; L658-I662 HydrophobicContact CG-CG1 4.41Å; L658-I662 VanDerWaalsContact O-CG1 3.28Å; L658-I662 WeakPolarHBondContact O-CG1 3.27Å; L658-I662 PolarHBondContact O-N 3.36Å
659	G	98.4	Very high	97.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-47.3	-177.8	0	0	0	0	0	112.3	D608 T657 N661 I662 A663	D608-G659 WeakPolarHBondContact OD1-CA 3.18Å; D608-G659 PolarHBondContact OD1-N 2.78Å; T657-G659 PolarHBondContact O-N 3.39Å; G659-N661 PolarHBondContact O-N 3.5Å; G659-I662 WeakPolarHBondContact O-CB 3.43Å; G659-I662 PolarHBondContact O-N 3.42Å; G659-A663 WeakPolarHBondContact O-CB 3.44Å; G659-A663 PolarHBondContact O-N 3.04Å
660	E	98.7	Very high	98	Very high	23 Å²	23	21.4 Å²	21.4	11%	0.107	11%	0.11	C	C	.	.	H	α-helix	trans	-62.8	-40.2	177.1	-60.9	-54.7	143.4	0	0	112.7	H600 H604 T657 L658 A663 D664 P724 H725 R731	H600-E660 IonicContact CE1-OE2 3.19Å; H600-E660 PolarHBondContact CE1-OE2 3.12Å; H600-E660 VanDerWaalsContact CE1-OE2 3.23Å; H600-E660 IonicContact NE2-OE2 3.83Å; H600-E660 PolarHBondContact NE2-OE2 3.39Å; H600-E660 VanDerWaalsContact NE2-OE2 3.16Å; H604-E660 IonicContact CE1-OE1 2.95Å; H604-E660 PolarHBondContact CE1-OE1 3.19Å; H604-E660 IonicContact CE1-OE2 2.6Å; H604-E660 IonicContact NE2-OE1 2.69Å; H604-E660 IonicContact NE2-OE2 3.29Å; H604-E660 PolarHBondContact NE2-OE2 3.32Å; T657-E660 PolarHBondContact O-N 3.31Å; L658-E660 PolarHBondContact O-N 2.75Å; E660-A663 PolarHBondContact O-N 3.21Å; E660-D664 PolarHBondContact O-N 2.94Å; E660-P724 HydrophobicContact CG-CB 4.24Å; E660-P724 WeakPolarHBondContact CG-O 3.48Å; E660-H725 HydrophobicContact CG-CB 4.42Å; E660-H725 VanDerWaalsContact CG-CD2 3.41Å; E660-H725 WeakPolarHBondContact CG-CD2 3.26Å; E660-H725 IonicContact OE1-NE2 3.22Å; E660-H725 IonicContact OE2-CD2 3.31Å; E660-H725 PolarHBondContact OE2-CD2 3.24Å; E660-H725 IonicContact OE2-NE2 2.71Å; E660-H725 PolarHBondContact OE2-NE2 2.95Å; E660-R731 IonicContact OE2-NH2 3.92Å
661	N	98.8	Very high	98.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67	-40.1	176.8	-62.4	-26.7	0	0	0	111.3	Y642 T657 L658 G659 A663 N665 S726	Y642-N661 WeakPolarHBondContact CD1-ND2 3Å; Y642-N661 HydrophobicContact CD2-CB 4.23Å; Y642-N661 HydrophobicContact CE1-CB 4.3Å; Y642-N661 VanDerWaalsContact CE1-CG 3.47Å; Y642-N661 WeakPolarHBondContact CE1-OD1 3.31Å; Y642-N661 HydrophobicContact CE2-CB 3.82Å; Y642-N661 VanDerWaalsContact CG-ND2 3.28Å; T657-N661 WeakPolarHBondContact CB-ND2 3.47Å; T657-N661 WeakPolarHBondContact O-CB 3.01Å; T657-N661 PolarHBondContact O-N 2.98Å; T657-N661 PolarHBondContact O-ND2 2.78Å; T657-N661 PolarHBondContact O-OD1 3.45Å; T657-N661 PolarHBondContact OG1-ND2 2.92Å; L658-N661 PolarHBondContact O-N 3.01Å; G659-N661 PolarHBondContact O-N 3.5Å; N661-A663 VanDerWaalsContact C-N 3.33Å; N661-N665 PolarHBondContact O-N 3.26Å; N661-N665 VanDerWaalsContact O-N 3.17Å; N661-N665 PolarHBondContact O-ND2 3.4Å; N661-S726 WeakPolarHBondContact OD1-CB 3.48Å; N661-S726 PolarHBondContact OD1-OG 2.83Å
662	I	98.9	Very high	98.3	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-61	-46.3	173.6	-68.4	164.2	0	0	0	109.7	T603 D607 F631 T635 M638 L658 G659 N665 G666 W763	T603-I662 HydrophobicContact CG2-CG2 4.08Å; D607-I662 HydrophobicContact CB-CB 4.35Å; D607-I662 HydrophobicContact CB-CD1 4.5Å; D607-I662 HydrophobicContact CB-CG2 4.18Å; F631-I662 HydrophobicContact CZ-CD1 4.19Å; T635-I662 HydrophobicContact CG2-CD1 3.55Å; T635-I662 HydrophobicContact CG2-CG1 4.3Å; M638-I662 HydrophobicContact SD-CB 4.44Å; M638-I662 HydrophobicContact SD-CG1 3.75Å; L658-I662 HydrophobicContact CD1-CD1 3.87Å; L658-I662 HydrophobicContact CD1-CG1 4.05Å; L658-I662 HydrophobicContact CG-CD1 3.78Å; L658-I662 HydrophobicContact CG-CG1 4.41Å; L658-I662 VanDerWaalsContact O-CG1 3.28Å; L658-I662 WeakPolarHBondContact O-CG1 3.27Å; L658-I662 PolarHBondContact O-N 3.36Å; G659-I662 WeakPolarHBondContact O-CB 3.43Å; G659-I662 PolarHBondContact O-N 3.42Å; I662-N665 PolarHBondContact O-N 3.43Å; I662-G666 PolarHBondContact O-N 3.24Å; I662-W763 VanDerWaalsContact CG2-CD1 3.49Å
663	A	98.8	Very high	98.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.2	-41.4	-178.6	0	0	0	0	0	112.7	H600 T603 G659 E660 N661 N665 G667	H600-A663 WeakPolarHBondContact CE1-CB 3.42Å; H600-A663 VanDerWaalsContact ND1-CB 3.31Å; H600-A663 WeakPolarHBondContact ND1-CB 3.39Å; T603-A663 HydrophobicContact CG2-CB 4.46Å; G659-A663 WeakPolarHBondContact O-CB 3.44Å; G659-A663 PolarHBondContact O-N 3.04Å; E660-A663 PolarHBondContact O-N 3.21Å; N661-A663 VanDerWaalsContact C-N 3.33Å; A663-N665 PolarHBondContact O-N 2.96Å; A663-G667 WeakPolarHBondContact O-CA 3.45Å; A663-G667 PolarHBondContact O-N 3.28Å
664	D	98.9	Very high	98.4	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-58.8	-46.9	172.9	-80.9	-13.4	0	0	0	112.5	H600 E660 L668 R731 T735	H600-D664 IonicContact CE1-OD1 3.33Å; H600-D664 PolarHBondContact CE1-OD1 3.49Å; H600-D664 PolarHBondContact ND1-N 3.22Å; H600-D664 IonicContact ND1-OD1 3.81Å; H600-D664 PolarHBondContact ND1-OD1 3.02Å; E660-D664 PolarHBondContact O-N 2.94Å; D664-L668 WeakPolarHBondContact O-CB 3.37Å; D664-L668 PolarHBondContact O-N 3.29Å; D664-R731 IonicContact OD1-CZ 2.92Å; D664-R731 IonicContact OD1-NE 2.75Å; D664-R731 PolarHBondContact OD1-NE 3.39Å; D664-R731 IonicContact OD1-NH2 3.72Å; D664-R731 PolarHBondContact OD1-NH2 3.47Å; D664-R731 WeakPolarHBondContact OD2-CB 3.48Å; D664-R731 WeakPolarHBondContact OD2-CG 3.45Å; D664-R731 IonicContact OD2-CZ 2.79Å; D664-R731 IonicContact OD2-NE 3.35Å; D664-R731 PolarHBondContact OD2-NE 3.15Å; D664-R731 IonicContact OD2-NH2 3.87Å; D664-T735 HydrophobicContact CB-CG2 4.37Å; D664-T735 WeakPolarHBondContact CB-OG1 3.31Å; D664-T735 WeakPolarHBondContact O-CG2 3.45Å
665	N	98.9	Very high	98.5	Very high	18 Å²	18	14 Å²	14	10%	0.096	7%	0.066	C	C	.	.	H	α-helix	trans	-68.8	-47.6	-177	-79.6	-99.2	0	0	0	111.7	M638 N661 I662 A663 K669 N738	M638-N665 HydrophobicContact CE-CB 3.63Å; N661-N665 PolarHBondContact O-N 3.26Å; N661-N665 VanDerWaalsContact O-N 3.17Å; N661-N665 PolarHBondContact O-ND2 3.4Å; I662-N665 PolarHBondContact O-N 3.43Å; A663-N665 PolarHBondContact O-N 2.96Å; N665-K669 WeakPolarHBondContact O-CB 3.49Å; N665-K669 PolarHBondContact O-N 3.1Å; N665-N738 VanDerWaalsContact OD1-CB 3.23Å; N665-N738 WeakPolarHBondContact OD1-CB 3.47Å; N665-N738 PolarHBondContact OD1-ND2 2.04Å
666	G	98.6	Very high	98.5	Very high	4 Å²	4	12.3 Å²	12.3	4%	0.041	6%	0.056	C	C	.	.	H	α-helix	trans	-65.7	-41.6	176.4	0	0	0	0	0	112.1	I662 K669 A670	I662-G666 PolarHBondContact O-N 3.24Å; G666-K669 PolarHBondContact O-N 3.42Å; G666-A670 WeakPolarHBondContact O-CB 3.4Å; G666-A670 PolarHBondContact O-N 2.91Å
667	G	98.6	Very high	98.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.4	-46.5	-179.4	0	0	0	0	0	113.4	G599 T603 A663 K669 A670 A671	G599-G667 WeakPolarHBondContact O-CA 3.41Å; T603-G667 PolarHBondContact OG1-N 3.12Å; A663-G667 WeakPolarHBondContact O-CA 3.45Å; A663-G667 PolarHBondContact O-N 3.28Å; G667-K669 VanDerWaalsContact C-N 3.34Å; G667-K669 PolarHBondContact O-N 2.81Å; G667-A670 PolarHBondContact O-N 3.14Å; G667-A671 VanDerWaalsContact O-CB 3.25Å; G667-A671 WeakPolarHBondContact O-CB 3.48Å; G667-A671 PolarHBondContact O-N 2.03Å
668	L	98.8	Very high	98.4	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-59.4	-46.1	175.4	-177.6	75.9	0	0	0	111.4	V596 D664 A671 Y672 F699 F700 F703 T735 L736	V596-L668 HydrophobicContact CG1-CB 4.36Å; V596-L668 HydrophobicContact CG1-CD1 4.49Å; V596-L668 HydrophobicContact CG2-CD1 3.8Å; D664-L668 WeakPolarHBondContact O-CB 3.37Å; D664-L668 PolarHBondContact O-N 3.29Å; L668-A671 PolarHBondContact O-N 3.4Å; L668-Y672 WeakPolarHBondContact O-CB 3.16Å; L668-Y672 PolarHBondContact O-N 3.29Å; L668-F699 HydrophobicContact CD1-CE1 3.6Å; L668-F699 HydrophobicContact CD1-CZ 3.97Å; L668-F699 HydrophobicContact CG-CE1 4.34Å; L668-F700 HydrophobicContact CD1-CD1 4.45Å; L668-F700 HydrophobicContact CD2-CD1 4.45Å; L668-F700 HydrophobicContact CD2-CE1 4.32Å; L668-F703 HydrophobicContact CD1-CB 4.03Å; L668-F703 HydrophobicContact CD1-CD1 3.93Å; L668-F703 HydrophobicContact CD1-CD2 3.82Å; L668-F703 HydrophobicContact CD1-CE1 4.35Å; L668-F703 HydrophobicContact CD1-CE2 4.24Å; L668-F703 HydrophobicContact CD1-CG 3.63Å; L668-F703 HydrophobicContact CD1-CZ 4.49Å; L668-T735 HydrophobicContact CB-CG2 3.75Å; L668-T735 HydrophobicContact CD2-CG2 3.49Å; L668-T735 VanDerWaalsContact CD2-CG2 3.49Å; L668-T735 HydrophobicContact CG-CG2 4.21Å; L668-L736 HydrophobicContact CD2-CD2 3.65Å
669	K	98.6	Very high	98.3	Very high	40 Å²	40	16.1 Å²	16.1	17%	0.174	8%	0.079	C	C	.	.	H	α-helix	trans	-64.1	-47.1	-179	179.3	-178.6	164.9	-168.1	0	111.6	N665 G666 G667 Y672 H673 E761 W763	N665-K669 WeakPolarHBondContact O-CB 3.49Å; N665-K669 PolarHBondContact O-N 3.1Å; G666-K669 PolarHBondContact O-N 3.42Å; G667-K669 VanDerWaalsContact C-N 3.34Å; G667-K669 PolarHBondContact O-N 2.81Å; K669-Y672 PolarHBondContact O-N 2.85Å; K669-H673 WeakPolarHBondContact O-CB 3.34Å; K669-H673 PolarHBondContact O-N 3.31Å; K669-E761 IonicContact NZ-OE1 3.96Å; K669-E761 PolarHBondContact NZ-OE1 2.83Å; K669-W763 VanDerWaalsContact CD-O 3.26Å; K669-W763 WeakPolarHBondContact CD-O 3.31Å; K669-W763 PolarHBondContact NZ-O 2.89Å; K669-W763 PolarHBondContact NZ-OXT 3.04Å
670	A	98.6	Very high	98.2	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.017	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-45.8	178.1	0	0	0	0	0	111.4	I464 A467 F468 G666 G667 Y672 H673 A674	I464-A670 HydrophobicContact CG2-CB 4.08Å; A467-A670 WeakPolarHBondContact CB-O 3.34Å; F468-A670 HydrophobicContact CB-CB 4.28Å; G666-A670 WeakPolarHBondContact O-CB 3.4Å; G666-A670 PolarHBondContact O-N 2.91Å; G667-A670 PolarHBondContact O-N 3.14Å; A670-Y672 PolarHBondContact O-N 3.48Å; A670-H673 PolarHBondContact O-N 3.4Å; A670-A674 WeakPolarHBondContact O-CB 3.48Å; A670-A674 PolarHBondContact O-N 3.31Å
671	A	98.8	Very high	98.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63	-40.8	177.9	0	0	0	0	0	112.7	G595 V596 G667 L668 A674 Y675 F699	G595-A671 WeakPolarHBondContact O-CB 3.37Å; V596-A671 HydrophobicContact CB-CB 4.49Å; V596-A671 HydrophobicContact CG2-CB 3.88Å; G667-A671 VanDerWaalsContact O-CB 3.25Å; G667-A671 WeakPolarHBondContact O-CB 3.48Å; G667-A671 PolarHBondContact O-N 2.03Å; L668-A671 PolarHBondContact O-N 3.4Å; A671-A674 PolarHBondContact O-N 3.02Å; A671-Y675 PolarHBondContact O-N 3.37Å; A671-F699 HydrophobicContact CB-CE2 4.15Å; A671-F699 HydrophobicContact CB-CZ 4.05Å
672	Y	98.8	Very high	97.9	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-66	-43.8	177.3	-174.6	-110.8	0	0	0	111.8	L668 K669 A670 A674 Y675 R676 D696 F699 F700 D741 H745	L668-Y672 WeakPolarHBondContact O-CB 3.16Å; L668-Y672 PolarHBondContact O-N 3.29Å; K669-Y672 PolarHBondContact O-N 2.85Å; A670-Y672 PolarHBondContact O-N 3.48Å; Y672-A674 VanDerWaalsContact C-N 3.34Å; Y672-A674 PolarHBondContact O-N 3.15Å; Y672-Y675 HydrophobicContact CE2-CD1 4.46Å; Y672-Y675 WeakPolarHBondContact O-CB 3.32Å; Y672-Y675 PolarHBondContact O-N 3.44Å; Y672-R676 HydrophobicContact CD1-CG 4.4Å; Y672-R676 HydrophobicContact CE1-CG 3.91Å; Y672-R676 HydrophobicContact CE2-CG 4.39Å; Y672-R676 WeakPolarHBondContact O-CG 3.38Å; Y672-R676 PolarHBondContact O-N 2.9Å; Y672-D696 PolarHBondContact OH-OD1 3.41Å; Y672-F699 AromaticContact CD2-CD1 3.54Å; Y672-F699 HydrophobicContact CD2-CD1 3.54Å; Y672-F699 HydrophobicContact CD2-CD2 4.31Å; Y672-F699 AromaticContact CD2-CE1 3.67Å; Y672-F699 HydrophobicContact CD2-CE1 3.67Å; Y672-F699 HydrophobicContact CD2-CE2 4.39Å; Y672-F699 AromaticContact CD2-CG 3.92Å; Y672-F699 HydrophobicContact CD2-CG 3.92Å; Y672-F699 HydrophobicContact CD2-CZ 4.12Å; Y672-F699 HydrophobicContact CE2-CD1 4.31Å; Y672-F699 HydrophobicContact CG-CD1 4.39Å; Y672-F699 HydrophobicContact CG-CE1 4.08Å; Y672-F699 HydrophobicContact CG-CZ 4.37Å; Y672-F700 HydrophobicContact CD1-CZ 4.42Å; Y672-F700 HydrophobicContact CD2-CE1 4.47Å; Y672-F700 HydrophobicContact CD2-CE2 4.24Å; Y672-F700 AromaticContact CD2-CZ 3.83Å; Y672-F700 HydrophobicContact CD2-CZ 3.83Å; Y672-F700 HydrophobicContact CE1-CZ 4.5Å; Y672-F700 AromaticContact CE2-CE2 3.93Å; Y672-F700 HydrophobicContact CE2-CE2 3.93Å; Y672-F700 AromaticContact CE2-CZ 3.91Å; Y672-F700 HydrophobicContact CE2-CZ 3.91Å; Y672-F700 HydrophobicContact CG-CZ 4.12Å; Y672-D741 HydrophobicContact CD1-CB 3.72Å; Y672-D741 HydrophobicContact CE1-CB 3.42Å; Y672-D741 VanDerWaalsContact CE1-CB 3.42Å; Y672-D741 VanDerWaalsContact CE1-CG 3.45Å; Y672-H745 AromaticContact CZ-NE2 3.96Å; Y672-H745 PolarHBondContact OH-CD2 3.31Å; Y672-H745 VanDerWaalsContact OH-CD2 3.31Å; Y672-H745 PolarHBondContact OH-NE2 2.83Å
673	H	98.4	Very high	97.7	Very high	46 Å²	46	35.6 Å²	35.6	21%	0.213	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-35.8	175.8	-73.8	179.3	0	0	0	112.7	A467 S471 K669 A670 R676 S677 D741	A467-H673 HydrophobicContact CB-CB 3.94Å; S471-H673 PolarHBondContact OG-ND1 3.36Å; K669-H673 WeakPolarHBondContact O-CB 3.34Å; K669-H673 PolarHBondContact O-N 3.31Å; A670-H673 PolarHBondContact O-N 3.4Å; H673-R676 PolarHBondContact O-N 3.18Å; H673-S677 PolarHBondContact O-N 3.41Å; H673-S677 PolarHBondContact O-OG 2.94Å; H673-D741 IonicContact NE2-OD2 3.09Å
674	A	98.5	Very high	97.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-47.1	171.8	0	0	0	0	0	110.8	E463 I464 A467 F591 A670 A671 Y672 R676 S677 W678	E463-A674 HydrophobicContact CB-CB 4.35Å; I464-A674 HydrophobicContact CG1-CB 3.83Å; A467-A674 HydrophobicContact CB-CB 3.93Å; F591-A674 HydrophobicContact CD1-CB 4.12Å; F591-A674 HydrophobicContact CE1-CB 3.72Å; A670-A674 WeakPolarHBondContact O-CB 3.48Å; A670-A674 PolarHBondContact O-N 3.31Å; A671-A674 PolarHBondContact O-N 3.02Å; Y672-A674 VanDerWaalsContact C-N 3.34Å; Y672-A674 PolarHBondContact O-N 3.15Å; A674-R676 VanDerWaalsContact C-N 3.34Å; A674-R676 PolarHBondContact O-N 3.36Å; A674-S677 WeakPolarHBondContact O-CB 3.11Å; A674-S677 PolarHBondContact O-N 3.38Å; A674-S677 VanDerWaalsContact O-N 3.08Å; A674-W678 PolarHBondContact O-N 3.43Å
675	Y	98.4	Very high	97.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-44.3	175.2	177.3	-125.1	0	0	0	112.8	K587 S588 F591 A671 Y672 S677 W678 I679 E685 N695 F699	K587-Y675 HydrophobicContact CB-CE2 4.22Å; S588-Y675 WeakPolarHBondContact CB-OH 3.46Å; F591-Y675 HydrophobicContact CB-CD2 4.39Å; F591-Y675 HydrophobicContact CB-CG 4.32Å; F591-Y675 AromaticContact CD2-CD2 3.67Å; F591-Y675 HydrophobicContact CD2-CD2 3.67Å; F591-Y675 HydrophobicContact CD2-CG 4.26Å; F591-Y675 HydrophobicContact CE2-CD2 4.34Å; F591-Y675 HydrophobicContact CG-CD2 4.28Å; F591-Y675 HydrophobicContact CG-CG 4.44Å; A671-Y675 PolarHBondContact O-N 3.37Å; Y672-Y675 HydrophobicContact CE2-CD1 4.46Å; Y672-Y675 WeakPolarHBondContact O-CB 3.32Å; Y672-Y675 PolarHBondContact O-N 3.44Å; Y675-S677 VanDerWaalsContact C-N 3.31Å; Y675-S677 PolarHBondContact O-N 3.11Å; Y675-W678 HydrophobicContact CE2-CE3 4.45Å; Y675-W678 WeakPolarHBondContact O-CB 3.49Å; Y675-W678 PolarHBondContact O-N 3.41Å; Y675-I679 HydrophobicContact CD1-CD1 4.19Å; Y675-I679 HydrophobicContact CD2-CG1 4.41Å; Y675-I679 HydrophobicContact CE1-CD1 3.59Å; Y675-I679 HydrophobicContact CE1-CG1 4.4Å; Y675-I679 HydrophobicContact CE2-CD1 4.02Å; Y675-I679 HydrophobicContact CE2-CG1 3.94Å; Y675-I679 VanDerWaalsContact CZ-CD1 3.5Å; Y675-I679 WeakPolarHBondContact O-CG1 3.3Å; Y675-I679 PolarHBondContact O-N 2.96Å; Y675-E685 WeakPolarHBondContact CE2-OE2 3.23Å; Y675-E685 PolarHBondContact OH-OE2 2.92Å; Y675-N695 WeakPolarHBondContact OH-CB 3.42Å; Y675-F699 HydrophobicContact CD1-CD2 4.37Å
676	R	97.8	Very high	97	Very high	80 Å²	80	48.5 Å²	48.5	30%	0.302	24%	0.237	S	C	.	.	H	α-helix	trans	-63.4	-36.8	176.2	-67.5	-49.9	-54	179.7	8.8	112.5	Y672 H673 A674 I679 Q680 E684 D696	Y672-R676 HydrophobicContact CD1-CG 4.4Å; Y672-R676 HydrophobicContact CE1-CG 3.91Å; Y672-R676 HydrophobicContact CE2-CG 4.39Å; Y672-R676 WeakPolarHBondContact O-CG 3.38Å; Y672-R676 PolarHBondContact O-N 2.9Å; H673-R676 PolarHBondContact O-N 3.18Å; A674-R676 VanDerWaalsContact C-N 3.34Å; A674-R676 PolarHBondContact O-N 3.36Å; R676-I679 PolarHBondContact O-N 3.06Å; R676-Q680 PolarHBondContact O-N 2.83Å; R676-E684 IonicContact NH2-OE1 2.74Å; R676-D696 WeakPolarHBondContact CD-OD1 3.45Å; R676-D696 IonicContact CZ-OD1 3.7Å; R676-D696 IonicContact NE-OD1 2.85Å; R676-D696 IonicContact NH1-OD1 3.81Å; R676-D696 PolarHBondContact NH1-OD1 3.41Å; R676-D696 IonicContact NH1-OD2 3.7Å; R676-D696 PolarHBondContact NH1-OD2 3.23Å
677	S	96.8	Very high	96.8	Very high	62 Å²	62	54.1 Å²	54.1	43%	0.434	26%	0.257	S	S	.	.	H	α-helix	trans	-66.9	-40.1	174.7	-56.4	0	0	0	0	111.2	H673 A674 Y675 Q680 K681	H673-S677 PolarHBondContact O-N 3.41Å; H673-S677 PolarHBondContact O-OG 2.94Å; A674-S677 WeakPolarHBondContact O-CB 3.11Å; A674-S677 PolarHBondContact O-N 3.38Å; A674-S677 VanDerWaalsContact O-N 3.08Å; Y675-S677 VanDerWaalsContact C-N 3.31Å; Y675-S677 PolarHBondContact O-N 3.11Å; S677-Q680 WeakPolarHBondContact O-CB 3.27Å; S677-Q680 PolarHBondContact O-N 3.36Å; S677-K681 PolarHBondContact O-N 3.45Å; S677-K681 VanDerWaalsContact O-N 3.09Å
678	W	96.4	Very high	96.7	Very high	44 Å²	44	54.5 Å²	54.5	17%	0.167	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-45.1	173.9	-173.9	95.1	0	0	0	111.6	K587 F591 A674 Y675 Q680 K681 N682 E685	K587-W678 HydrophobicContact CB-CD2 4.38Å; K587-W678 HydrophobicContact CB-CE3 4.29Å; K587-W678 HydrophobicContact CB-CH2 4.38Å; K587-W678 HydrophobicContact CB-CZ2 4.46Å; K587-W678 HydrophobicContact CB-CZ3 4.3Å; K587-W678 HydrophobicContact CG-CD2 4.26Å; K587-W678 HydrophobicContact CG-CE3 4.41Å; K587-W678 HydrophobicContact CG-CH2 3.79Å; K587-W678 HydrophobicContact CG-CZ2 3.59Å; K587-W678 HydrophobicContact CG-CZ3 4.2Å; F591-W678 HydrophobicContact CE2-CB 4.04Å; F591-W678 HydrophobicContact CE2-CG 4.03Å; F591-W678 HydrophobicContact CZ-CB 4.31Å; A674-W678 PolarHBondContact O-N 3.43Å; Y675-W678 HydrophobicContact CE2-CE3 4.45Å; Y675-W678 WeakPolarHBondContact O-CB 3.49Å; Y675-W678 PolarHBondContact O-N 3.41Å; W678-Q680 VanDerWaalsContact C-N 3.32Å; W678-Q680 PolarHBondContact O-N 3.31Å; W678-K681 PolarHBondContact O-N 3.11Å; W678-N682 HydrophobicContact CD2-CB 4.18Å; W678-N682 VanDerWaalsContact CE2-ND2 3.27Å; W678-N682 HydrophobicContact CE3-CB 4.24Å; W678-N682 HydrophobicContact CH2-CB 3.82Å; W678-N682 HydrophobicContact CZ2-CB 3.76Å; W678-N682 HydrophobicContact CZ3-CB 4.05Å; W678-N682 PolarHBondContact NE1-ND2 3.43Å; W678-N682 WeakPolarHBondContact O-CB 3.47Å; W678-N682 PolarHBondContact O-N 2.96Å; W678-N682 PolarHBondContact O-ND2 3.21Å; W678-E685 HydrophobicContact CH2-CG 3.93Å; W678-E685 HydrophobicContact CZ3-CG 3.52Å
679	I	97	Very high	96.5	Very high	10 Å²	10	55.2 Å²	55.2	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-42.2	174	-67.8	173.5	0	0	0	110.8	Y675 R676 K681 N682 G683 E684	Y675-I679 HydrophobicContact CD1-CD1 4.19Å; Y675-I679 HydrophobicContact CD2-CG1 4.41Å; Y675-I679 HydrophobicContact CE1-CD1 3.59Å; Y675-I679 HydrophobicContact CE1-CG1 4.4Å; Y675-I679 HydrophobicContact CE2-CD1 4.02Å; Y675-I679 HydrophobicContact CE2-CG1 3.94Å; Y675-I679 VanDerWaalsContact CZ-CD1 3.5Å; Y675-I679 WeakPolarHBondContact O-CG1 3.3Å; Y675-I679 PolarHBondContact O-N 2.96Å; R676-I679 PolarHBondContact O-N 3.06Å; I679-K681 PolarHBondContact O-N 3.1Å; I679-N682 PolarHBondContact O-N 3.23Å; I679-G683 VanDerWaalsContact O-CA 3.28Å; I679-G683 WeakPolarHBondContact O-CA 3.23Å; I679-G683 PolarHBondContact O-N 2.99Å; I679-E684 HydrophobicContact CG2-CG 4.23Å
680	Q	95.9	Very high	96.2	Very high	173 Å²	173	57.3 Å²	57.3	81%	0.808	29%	0.289	S	S	*	.	H	α-helix	trans	-61	-34.2	179.7	-172.6	178.6	8.8	0	0	112.1	R676 S677 W678	R676-Q680 PolarHBondContact O-N 2.83Å; S677-Q680 WeakPolarHBondContact O-CB 3.27Å; S677-Q680 PolarHBondContact O-N 3.36Å; W678-Q680 VanDerWaalsContact C-N 3.32Å; W678-Q680 PolarHBondContact O-N 3.31Å
681	K	95.3	Very high	96	Very high	139 Å²	139	57.4 Å²	57.4	60%	0.604	29%	0.289	S	S	*	.	H	α-helix	trans	-80.7	-40.5	178.3	-180	-177.7	170.1	-166.2	0	112.9	E459 S677 W678 I679	E459-K681 IonicContact OE1-NZ 2.93Å; S677-K681 PolarHBondContact O-N 3.45Å; S677-K681 VanDerWaalsContact O-N 3.09Å; W678-K681 PolarHBondContact O-N 3.11Å; I679-K681 PolarHBondContact O-N 3.1Å
682	N	95.3	Very high	95.7	Very high	84 Å²	84	64.2 Å²	64.2	45%	0.449	33%	0.326	S	S	.	.	H	α-helix	trans	-110.5	-11.3	-166.2	-60.2	-74.6	0	0	0	114.5	W678 I679	W678-N682 HydrophobicContact CD2-CB 4.18Å; W678-N682 VanDerWaalsContact CE2-ND2 3.27Å; W678-N682 HydrophobicContact CE3-CB 4.24Å; W678-N682 HydrophobicContact CH2-CB 3.82Å; W678-N682 HydrophobicContact CZ2-CB 3.76Å; W678-N682 HydrophobicContact CZ3-CB 4.05Å; W678-N682 PolarHBondContact NE1-ND2 3.43Å; W678-N682 WeakPolarHBondContact O-CB 3.47Å; W678-N682 PolarHBondContact O-N 2.96Å; W678-N682 PolarHBondContact O-ND2 3.21Å; I679-N682 PolarHBondContact O-N 3.23Å
683	G	94.8	Very high	95.6	Very high	36 Å²	36	65.3 Å²	65.3	37%	0.371	33%	0.332	S	S	.	.			trans	87.7	173.6	-172.9	0	0	0	0	0	113.4	I679	I679-G683 VanDerWaalsContact O-CA 3.28Å; I679-G683 WeakPolarHBondContact O-CA 3.23Å; I679-G683 PolarHBondContact O-N 2.99Å
684	E	93.8	Very high	95.5	Very high	120 Å²	120	64.8 Å²	64.8	56%	0.561	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-70.7	136	178.7	-73.1	-72.1	170.1	0	0	111.5	R676 I679	R676-E684 IonicContact NH2-OE1 2.74Å; I679-E684 HydrophobicContact CG2-CG 4.23Å
685	E	94.1	Very high	95.5	Very high	34 Å²	34	65 Å²	65	16%	0.159	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-74.7	155.2	175.2	-52.5	-176.7	87	0	0	111.8	K587 S588 Y675 W678 N695	K587-E685 WeakPolarHBondContact CB-OE1 3.24Å; K587-E685 PolarHBondContact N-OE1 2.62Å; K587-E685 PolarHBondContact N-OE2 3.32Å; S588-E685 PolarHBondContact N-OE2 2.05Å; Y675-E685 WeakPolarHBondContact CE2-OE2 3.23Å; Y675-E685 PolarHBondContact OH-OE2 2.92Å; W678-E685 HydrophobicContact CH2-CG 3.93Å; W678-E685 HydrophobicContact CZ3-CG 3.52Å; E685-N695 PolarHBondContact O-ND2 2.86Å
686	K	94.5	Very high	95.5	Very high	136 Å²	136	65.8 Å²	65.8	59%	0.591	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-63.1	142.4	168	-68.5	-177.8	-177.3	176.6	0	110.1	G90 C92	G90-K686 WeakPolarHBondContact O-CA 3.45Å; G90-K686 VanDerWaalsContact O-CB 3.3Å; G90-K686 WeakPolarHBondContact O-CB 3.16Å; C92-K686 HydrophobicContact CB-CB 3.9Å
687	R	94.7	Very high	95.5	Very high	123 Å²	123	63.5 Å²	63.5	46%	0.464	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-79.5	149	-179.1	-66.3	-175.9	-177.7	-175.8	-1.4	111.9	G90 L91 C92	G90-R687 PolarHBondContact O-N 2.79Å; L91-R687 CarbonylContact C-O 3.56Å; L91-R687 WeakPolarHBondContact CA-O 3.39Å; L91-R687 HydrophobicContact CD2-CB 4.22Å; C92-R687 PolarHBondContact N-O 3.38Å
688	L	95.8	Very high	95.6	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.037	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-67.6	139.6	170.8	-71.3	-173.2	0	0	0	111.9	C97 V100 A101 I104 P586 L589 V691 L698	C97-L688 HydrophobicContact CB-CD2 3.71Å; V100-L688 HydrophobicContact CG1-CD1 3.86Å; V100-L688 HydrophobicContact CG1-CD2 3.93Å; A101-L688 HydrophobicContact CB-CB 4.21Å; A101-L688 HydrophobicContact CB-CD1 4.37Å; I104-L688 HydrophobicContact CD1-CD1 3.93Å; P586-L688 HydrophobicContact CG-CD1 4.36Å; P586-L688 HydrophobicContact CG-CD2 3.65Å; P586-L688 HydrophobicContact CG-CG 3.99Å; L589-L688 HydrophobicContact CD1-CD1 4.24Å; L688-V691 HydrophobicContact CB-CB 4.47Å; L688-V691 HydrophobicContact CB-CG2 3.8Å; L688-V691 HydrophobicContact CD1-CG2 4.25Å; L688-L698 HydrophobicContact CD1-CD1 4.13Å; L688-L698 HydrophobicContact CD1-CD2 3.54Å; L688-L698 HydrophobicContact CD1-CG 4.47Å; L688-L698 HydrophobicContact CG-CD2 3.81Å
689	P	94.5	Very high	95.7	Very high	19 Å²	19	58.7 Å²	58.7	12%	0.123	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	153.4	176.8	30.6	-33.5	0	0	0	110.6	L91 C92 L93 V98 A101 V691	L91-P689 HydrophobicContact CD1-CB 4.48Å; C92-P689 VanDerWaalsContact O-CD 3.26Å; C92-P689 WeakPolarHBondContact O-CD 3.47Å; L93-P689 HydrophobicContact CD2-CB 4.25Å; L93-P689 HydrophobicContact CD2-CG 4.4Å; V98-P689 HydrophobicContact CG2-CG 4.28Å; A101-P689 HydrophobicContact CB-CG 4.17Å; A101-P689 WeakPolarHBondContact CB-O 3.38Å; P689-V691 PolarHBondContact O-N 3.35Å
690	A	92.4	Very high	95.8	Very high	85 Å²	85	58.2 Å²	58.2	70%	0.702	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	-18	174	0	0	0	0	0	118.4	R110 N692	R110-A690 PolarHBondContact NH2-O 3.49Å; A690-N692 VanDerWaalsContact C-N 3.31Å; A690-N692 PolarHBondContact O-N 3.17Å
691	V	94.4	Very high	95.9	Very high	4 Å²	4	50 Å²	50	2%	0.024	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-33.9	177.6	-172.7	0	0	0	0	111.3	A101 I104 V105 M108 R110 L688 P689 L693 L698 L701	A101-V691 HydrophobicContact CB-CG2 3.85Å; I104-V691 HydrophobicContact CG2-CG1 4.05Å; I104-V691 HydrophobicContact CG2-CG2 4.4Å; V105-V691 HydrophobicContact CG2-CG2 4.16Å; M108-V691 HydrophobicContact SD-CG1 4.46Å; R110-V691 PolarHBondContact NH2-O 3.37Å; L688-V691 HydrophobicContact CB-CB 4.47Å; L688-V691 HydrophobicContact CB-CG2 3.8Å; L688-V691 HydrophobicContact CD1-CG2 4.25Å; P689-V691 PolarHBondContact O-N 3.35Å; V691-L693 VanDerWaalsContact C-N 3.31Å; V691-L693 HydrophobicContact CG1-CB 4.04Å; V691-L693 HydrophobicContact CG1-CD1 3.86Å; V691-L693 HydrophobicContact CG1-CG 3.96Å; V691-L693 PolarHBondContact O-N 3.4Å; V691-L698 HydrophobicContact CG1-CD1 4.49Å; V691-L701 HydrophobicContact CG1-CD2 4.48Å
692	N	92.3	Very high	96	Very high	143 Å²	143	43.8 Å²	43.8	77%	0.765	24%	0.237	S	C	*	.			trans	57.9	38.8	-177.1	-165	44	0	0	0	113.7	A690	A690-N692 VanDerWaalsContact C-N 3.31Å; A690-N692 PolarHBondContact O-N 3.17Å
693	L	95.9	Very high	96.2	Very high	26 Å²	26	39.9 Å²	39.9	14%	0.136	22%	0.216	C	C	.	.			trans	-126.1	155.5	174.9	-66.5	178.8	0	0	0	110.4	M108 V691 Q697 L701	M108-L693 HydrophobicContact CE-CD1 4.01Å; V691-L693 VanDerWaalsContact C-N 3.31Å; V691-L693 HydrophobicContact CG1-CB 4.04Å; V691-L693 HydrophobicContact CG1-CD1 3.86Å; V691-L693 HydrophobicContact CG1-CG 3.96Å; V691-L693 PolarHBondContact O-N 3.4Å; L693-Q697 HydrophobicContact CB-CB 3.99Å; L693-Q697 HydrophobicContact CD1-CB 4.45Å; L693-Q697 HydrophobicContact CD2-CB 4.16Å; L693-Q697 HydrophobicContact CG-CB 4.43Å; L693-L701 HydrophobicContact CD1-CD2 3.6Å
694	T	97.1	Very high	96.4	Very high	36 Å²	36	38.1 Å²	38.1	22%	0.221	20%	0.198	C	C	.	.			trans	-74.3	163.1	167.3	62.2	0	0	0	0	110.7	D696 Q697 L698	T694-D696 VanDerWaalsContact C-N 3.28Å; T694-D696 PolarHBondContact O-N 3.18Å; T694-Q697 PolarHBondContact O-N 2.87Å; T694-Q697 VanDerWaalsContact OG1-CG 3.3Å; T694-Q697 WeakPolarHBondContact OG1-CG 3.26Å; T694-Q697 PolarHBondContact OG1-N 3.31Å; T694-Q697 PolarHBondContact OG1-OE1 3.41Å; T694-Q697 VanDerWaalsContact OG1-OE1 3.05Å; T694-L698 WeakPolarHBondContact O-CB 3.36Å; T694-L698 PolarHBondContact O-N 2.87Å
695	N	97.8	Very high	96.6	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.027	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-30.7	178	-54.8	-29	0	0	0	112	S588 Y675 E685 L698 F699	S588-N695 VanDerWaalsContact CB-O 3.22Å; S588-N695 WeakPolarHBondContact CB-O 3.48Å; Y675-N695 WeakPolarHBondContact OH-CB 3.42Å; E685-N695 PolarHBondContact O-ND2 2.86Å; N695-L698 WeakPolarHBondContact O-CB 3.3Å; N695-L698 PolarHBondContact O-N 3.05Å; N695-F699 PolarHBondContact O-N 3.25Å
696	D	98.3	Very high	96.7	Very high	16 Å²	16	32.3 Å²	32.3	9%	0.086	17%	0.171	C	C	.	.	H	α-helix	trans	-62.7	-43.2	170.6	-69.3	-67	0	0	0	112.2	Y672 R676 T694 L698 F699 F700 H745	Y672-D696 PolarHBondContact OH-OD1 3.41Å; R676-D696 WeakPolarHBondContact CD-OD1 3.45Å; R676-D696 IonicContact CZ-OD1 3.7Å; R676-D696 IonicContact NE-OD1 2.85Å; R676-D696 IonicContact NH1-OD1 3.81Å; R676-D696 PolarHBondContact NH1-OD1 3.41Å; R676-D696 IonicContact NH1-OD2 3.7Å; R676-D696 PolarHBondContact NH1-OD2 3.23Å; T694-D696 VanDerWaalsContact C-N 3.28Å; T694-D696 PolarHBondContact O-N 3.18Å; D696-L698 VanDerWaalsContact C-N 3.29Å; D696-L698 PolarHBondContact O-N 2.83Å; D696-F699 WeakPolarHBondContact O-CB 3.34Å; D696-F699 PolarHBondContact O-N 3.04Å; D696-F700 WeakPolarHBondContact O-CD2 3.31Å; D696-H745 VanDerWaalsContact CB-CE1 3.48Å; D696-H745 WeakPolarHBondContact CB-CE1 3.25Å; D696-H745 VanDerWaalsContact CB-ND1 3.32Å; D696-H745 WeakPolarHBondContact CB-ND1 3.4Å; D696-H745 IonicContact OD1-CE1 2.7Å; D696-H745 IonicContact OD2-CE1 3.47Å; D696-H745 PolarHBondContact OD2-CE1 2.86Å; D696-H745 IonicContact OD2-ND1 3.58Å
697	Q	98.6	Very high	96.8	Very high	32 Å²	32	27.3 Å²	27.3	15%	0.15	15%	0.149	C	C	.	.	H	α-helix	trans	-67.4	-34.2	174.6	-72.4	168.5	-42.2	0	0	111.5	L693 T694 F699 F700 L701 H745 F746	L693-Q697 HydrophobicContact CB-CB 3.99Å; L693-Q697 HydrophobicContact CD1-CB 4.45Å; L693-Q697 HydrophobicContact CD2-CB 4.16Å; L693-Q697 HydrophobicContact CG-CB 4.43Å; T694-Q697 PolarHBondContact O-N 2.87Å; T694-Q697 VanDerWaalsContact OG1-CG 3.3Å; T694-Q697 WeakPolarHBondContact OG1-CG 3.26Å; T694-Q697 PolarHBondContact OG1-N 3.31Å; T694-Q697 PolarHBondContact OG1-OE1 3.41Å; T694-Q697 VanDerWaalsContact OG1-OE1 3.05Å; Q697-F699 VanDerWaalsContact C-N 3.33Å; Q697-F700 PolarHBondContact O-N 3.35Å; Q697-L701 WeakPolarHBondContact O-CB 3.33Å; Q697-L701 PolarHBondContact O-N 2.85Å; Q697-H745 HydrophobicContact CG-CB 4.17Å; Q697-H745 PolarHBondContact NE2-O 3.44Å; Q697-F746 HydrophobicContact CB-CE1 4.3Å; Q697-F746 HydrophobicContact CB-CE2 3.98Å; Q697-F746 HydrophobicContact CB-CZ 3.65Å; Q697-F746 HydrophobicContact CG-CD2 4.3Å; Q697-F746 HydrophobicContact CG-CE1 4.17Å; Q697-F746 HydrophobicContact CG-CE2 3.86Å; Q697-F746 HydrophobicContact CG-CZ 3.79Å
698	L	98.3	Very high	97	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-65.8	-35	177.4	-170.4	61	0	0	0	112.1	I104 L589 L688 V691 T694 N695 D696 L701 G702	I104-L698 HydrophobicContact CD1-CD1 3.71Å; L589-L698 HydrophobicContact CD1-CD2 4.48Å; L589-L698 HydrophobicContact CD2-CD1 3.77Å; L589-L698 HydrophobicContact CD2-CD2 4.27Å; L589-L698 HydrophobicContact CD2-CG 3.63Å; L589-L698 HydrophobicContact CG-CD1 4.42Å; L589-L698 HydrophobicContact CG-CD2 4.06Å; L589-L698 HydrophobicContact CG-CG 3.96Å; L688-L698 HydrophobicContact CD1-CD1 4.13Å; L688-L698 HydrophobicContact CD1-CD2 3.54Å; L688-L698 HydrophobicContact CD1-CG 4.47Å; L688-L698 HydrophobicContact CG-CD2 3.81Å; V691-L698 HydrophobicContact CG1-CD1 4.49Å; T694-L698 WeakPolarHBondContact O-CB 3.36Å; T694-L698 PolarHBondContact O-N 2.87Å; N695-L698 WeakPolarHBondContact O-CB 3.3Å; N695-L698 PolarHBondContact O-N 3.05Å; D696-L698 VanDerWaalsContact C-N 3.29Å; D696-L698 PolarHBondContact O-N 2.83Å; L698-L701 HydrophobicContact CD1-CD2 4.37Å; L698-L701 PolarHBondContact O-N 3.36Å; L698-G702 PolarHBondContact O-N 2.83Å
699	F	98.8	Very high	97.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-56.1	-53.6	171.9	169.5	-83.5	0	0	0	111.5	S588 F591 G592 V596 L668 A671 Y672 Y675 N695 D696 Q697 L701 G702 F703	S588-F699 WeakPolarHBondContact O-CA 3.35Å; F591-F699 HydrophobicContact CB-CD2 3.92Å; F591-F699 HydrophobicContact CB-CE2 3.83Å; F591-F699 WeakPolarHBondContact O-CE2 3.09Å; G592-F699 VanDerWaalsContact N-CD2 3.34Å; V596-F699 HydrophobicContact CG2-CZ 4.04Å; L668-F699 HydrophobicContact CD1-CE1 3.6Å; L668-F699 HydrophobicContact CD1-CZ 3.97Å; L668-F699 HydrophobicContact CG-CE1 4.34Å; A671-F699 HydrophobicContact CB-CE2 4.15Å; A671-F699 HydrophobicContact CB-CZ 4.05Å; Y672-F699 AromaticContact CD2-CD1 3.54Å; Y672-F699 HydrophobicContact CD2-CD1 3.54Å; Y672-F699 HydrophobicContact CD2-CD2 4.31Å; Y672-F699 AromaticContact CD2-CE1 3.67Å; Y672-F699 HydrophobicContact CD2-CE1 3.67Å; Y672-F699 HydrophobicContact CD2-CE2 4.39Å; Y672-F699 AromaticContact CD2-CG 3.92Å; Y672-F699 HydrophobicContact CD2-CG 3.92Å; Y672-F699 HydrophobicContact CD2-CZ 4.12Å; Y672-F699 HydrophobicContact CE2-CD1 4.31Å; Y672-F699 HydrophobicContact CG-CD1 4.39Å; Y672-F699 HydrophobicContact CG-CE1 4.08Å; Y672-F699 HydrophobicContact CG-CZ 4.37Å; Y675-F699 HydrophobicContact CD1-CD2 4.37Å; N695-F699 PolarHBondContact O-N 3.25Å; D696-F699 WeakPolarHBondContact O-CB 3.34Å; D696-F699 PolarHBondContact O-N 3.04Å; Q697-F699 VanDerWaalsContact C-N 3.33Å; F699-L701 VanDerWaalsContact C-N 3.3Å; F699-L701 PolarHBondContact O-N 3.21Å; F699-G702 PolarHBondContact O-N 3.12Å; F699-F703 PolarHBondContact O-N 3.33Å
700	F	98.8	Very high	97.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.6	-33	-179.3	-62.9	-69.3	0	0	0	112.2	F118 L668 Y672 D696 Q697 A704 L736 D741 F742 H745 F746	F118-F700 HydrophobicContact CE1-CB 4.43Å; F118-F700 WeakPolarHBondContact CE1-O 3.33Å; F118-F700 HydrophobicContact CZ-CB 4.32Å; L668-F700 HydrophobicContact CD1-CD1 4.45Å; L668-F700 HydrophobicContact CD2-CD1 4.45Å; L668-F700 HydrophobicContact CD2-CE1 4.32Å; Y672-F700 HydrophobicContact CD1-CZ 4.42Å; Y672-F700 HydrophobicContact CD2-CE1 4.47Å; Y672-F700 HydrophobicContact CD2-CE2 4.24Å; Y672-F700 AromaticContact CD2-CZ 3.83Å; Y672-F700 HydrophobicContact CD2-CZ 3.83Å; Y672-F700 HydrophobicContact CE1-CZ 4.5Å; Y672-F700 AromaticContact CE2-CE2 3.93Å; Y672-F700 HydrophobicContact CE2-CE2 3.93Å; Y672-F700 AromaticContact CE2-CZ 3.91Å; Y672-F700 HydrophobicContact CE2-CZ 3.91Å; Y672-F700 HydrophobicContact CG-CZ 4.12Å; D696-F700 WeakPolarHBondContact O-CD2 3.31Å; Q697-F700 PolarHBondContact O-N 3.35Å; F700-A704 PolarHBondContact O-N 3.16Å; F700-L736 HydrophobicContact CB-CD2 4.4Å; F700-L736 HydrophobicContact CD1-CD2 3.55Å; F700-L736 HydrophobicContact CE1-CD2 4.26Å; F700-L736 HydrophobicContact CG-CD2 4.33Å; F700-D741 HydrophobicContact CZ-CB 3.95Å; F700-F742 HydrophobicContact CB-CD2 3.91Å; F700-F742 HydrophobicContact CB-CE2 4.41Å; F700-F742 HydrophobicContact CD1-CB 4.03Å; F700-F742 HydrophobicContact CD1-CD2 4.05Å; F700-F742 HydrophobicContact CD2-CD2 4.18Å; F700-F742 HydrophobicContact CE1-CB 3.84Å; F700-F742 HydrophobicContact CE2-CB 4.35Å; F700-F742 HydrophobicContact CG-CB 4.36Å; F700-F742 AromaticContact CG-CD2 3.78Å; F700-F742 HydrophobicContact CG-CD2 3.78Å; F700-F742 HydrophobicContact CZ-CB 4.03Å; F700-H745 HydrophobicContact CE2-CB 4.38Å; F700-F746 HydrophobicContact CB-CE2 4.05Å; F700-F746 HydrophobicContact CD2-CE2 4.15Å; F700-F746 HydrophobicContact CG-CE2 4.47Å
701	L	98.6	Very high	97.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.2	-43.9	174.2	-175.7	63.3	0	0	0	111.7	I104 M108 F121 A122 V691 L693 Q697 L698 F699 A704 Q705	I104-L701 HydrophobicContact CG2-CD2 3.38Å; I104-L701 HydrophobicContact CG2-CG 4.3Å; M108-L701 HydrophobicContact CE-CD1 4.45Å; M108-L701 HydrophobicContact CE-CD2 4Å; M108-L701 HydrophobicContact CG-CD1 4.08Å; M108-L701 HydrophobicContact CG-CD2 4.15Å; M108-L701 HydrophobicContact SD-CD2 3.66Å; F121-L701 HydrophobicContact CD1-CD1 4.49Å; F121-L701 HydrophobicContact CE1-CD1 4.26Å; A122-L701 HydrophobicContact CB-CD1 3.64Å; V691-L701 HydrophobicContact CG1-CD2 4.48Å; L693-L701 HydrophobicContact CD1-CD2 3.6Å; Q697-L701 WeakPolarHBondContact O-CB 3.33Å; Q697-L701 PolarHBondContact O-N 2.85Å; L698-L701 HydrophobicContact CD1-CD2 4.37Å; L698-L701 PolarHBondContact O-N 3.36Å; F699-L701 VanDerWaalsContact C-N 3.3Å; F699-L701 PolarHBondContact O-N 3.21Å; L701-A704 PolarHBondContact O-N 2.95Å; L701-Q705 HydrophobicContact CD1-CG 4.3Å; L701-Q705 HydrophobicContact CG-CG 4.49Å; L701-Q705 WeakPolarHBondContact O-CB 3.49Å; L701-Q705 WeakPolarHBondContact O-CG 3.28Å; L701-Q705 PolarHBondContact O-N 2.91Å
702	G	97.7	Very high	97.3	Very high	9 Å²	9	22 Å²	22	9%	0.093	11%	0.114	C	C	.	.	H	α-helix	trans	-58.9	-46.7	175.2	0	0	0	0	0	111.7	L698 F699 A704 Q705 V706	L698-G702 PolarHBondContact O-N 2.83Å; F699-G702 PolarHBondContact O-N 3.12Å; G702-A704 PolarHBondContact O-N 3.33Å; G702-Q705 PolarHBondContact O-N 3.06Å; G702-V706 PolarHBondContact O-N 2.86Å
703	F	98.6	Very high	97.4	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-53.3	-51.2	172.2	163.8	-106.9	0	0	0	112.3	G592 V596 L668 F699 Q705 V706 W707 V732 T735 L736	G592-F703 WeakPolarHBondContact O-CA 3.38Å; G592-F703 WeakPolarHBondContact O-CB 3.48Å; G592-F703 PolarHBondContact O-N 3.03Å; V596-F703 HydrophobicContact CB-CD2 4.24Å; V596-F703 HydrophobicContact CG1-CD2 3.74Å; V596-F703 HydrophobicContact CG1-CE2 3.87Å; V596-F703 HydrophobicContact CG2-CB 4.48Å; V596-F703 HydrophobicContact CG2-CD2 4.08Å; L668-F703 HydrophobicContact CD1-CB 4.03Å; L668-F703 HydrophobicContact CD1-CD1 3.93Å; L668-F703 HydrophobicContact CD1-CD2 3.82Å; L668-F703 HydrophobicContact CD1-CE1 4.35Å; L668-F703 HydrophobicContact CD1-CE2 4.24Å; L668-F703 HydrophobicContact CD1-CG 3.63Å; L668-F703 HydrophobicContact CD1-CZ 4.49Å; F699-F703 PolarHBondContact O-N 3.33Å; F703-Q705 VanDerWaalsContact C-N 3.31Å; F703-Q705 PolarHBondContact O-N 2.85Å; F703-V706 PolarHBondContact O-N 3.27Å; F703-W707 AromaticContact CD2-NE1 3.97Å; F703-W707 AromaticContact CE2-CD1 3.93Å; F703-W707 AromaticContact CE2-NE1 3.44Å; F703-W707 AromaticContact CZ-NE1 3.98Å; F703-V732 HydrophobicContact CE1-CB 4.47Å; F703-V732 HydrophobicContact CE1-CG1 4.45Å; F703-V732 HydrophobicContact CE1-CG2 4.34Å; F703-T735 HydrophobicContact CE1-CG2 4.47Å; F703-T735 HydrophobicContact CZ-CG2 4.01Å; F703-L736 HydrophobicContact CD1-CD1 4.31Å; F703-L736 HydrophobicContact CD1-CD2 3.98Å; F703-L736 HydrophobicContact CD1-CG 4.2Å; F703-L736 HydrophobicContact CE1-CD1 4.28Å; F703-L736 HydrophobicContact CE1-CD2 4.03Å; F703-L736 HydrophobicContact CE1-CG 3.9Å
704	A	98.6	Very high	97.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-35	-178.6	0	0	0	0	0	112.7	F118 A122 C123 F700 L701 G702 W707 V732	F118-A704 HydrophobicContact CD1-CB 3.81Å; F118-A704 HydrophobicContact CE1-CB 3.63Å; A122-A704 HydrophobicContact CB-CB 3.49Å; A122-A704 VanDerWaalsContact CB-CB 3.49Å; C123-A704 PolarHBondContact SG-O 3.14Å; F700-A704 PolarHBondContact O-N 3.16Å; L701-A704 PolarHBondContact O-N 2.95Å; G702-A704 PolarHBondContact O-N 3.33Å; A704-W707 PolarHBondContact O-N 2.8Å; A704-W707 VanDerWaalsContact O-N 3.15Å; A704-V732 HydrophobicContact CB-CG1 3.7Å; A704-V732 HydrophobicContact CB-CG2 4.14Å
705	Q	97.9	Very high	97.2	Very high	25 Å²	25	20.1 Å²	20.1	12%	0.117	11%	0.105	C	C	.	.	H	α-helix	trans	-74.3	-24.4	-176.3	-74.7	-173.8	-10.8	0	0	114.4	I104 A122 T141 L701 G702 F703 W707 C708	I104-Q705 PolarHBondContact O-NE2 3.32Å; A122-Q705 HydrophobicContact CB-CG 4.32Å; A122-Q705 PolarHBondContact O-NE2 2.85Å; T141-Q705 PolarHBondContact OG1-O 3.01Å; L701-Q705 HydrophobicContact CD1-CG 4.3Å; L701-Q705 HydrophobicContact CG-CG 4.49Å; L701-Q705 WeakPolarHBondContact O-CB 3.49Å; L701-Q705 WeakPolarHBondContact O-CG 3.28Å; L701-Q705 PolarHBondContact O-N 2.91Å; G702-Q705 PolarHBondContact O-N 3.06Å; F703-Q705 VanDerWaalsContact C-N 3.31Å; F703-Q705 PolarHBondContact O-N 2.85Å; Q705-W707 PolarHBondContact O-N 3.04Å; Q705-C708 VanDerWaalsContact CA-SG 3.52Å; Q705-C708 PolarHBondContact O-N 3.27Å; Q705-C708 PolarHBondContact O-SG 3.38Å
706	V	96.5	Very high	97.1	Very high	6 Å²	6	20 Å²	20	4%	0.036	10%	0.104	C	C	.	.	H	α-helix	trans	-56.9	-34.7	167.5	163.1	0	0	0	0	111.3	T141 F142 F580 G702 F703	T141-V706 WeakPolarHBondContact CB-O 3.21Å; F142-V706 HydrophobicContact CE2-CG1 3.81Å; F142-V706 HydrophobicContact CZ-CG1 4.03Å; F580-V706 HydrophobicContact CD1-CG1 4.02Å; F580-V706 HydrophobicContact CD1-CG2 3.99Å; F580-V706 HydrophobicContact CE1-CB 4.25Å; F580-V706 HydrophobicContact CE1-CG1 3.22Å; F580-V706 HydrophobicContact CE1-CG2 4.01Å; F580-V706 HydrophobicContact CZ-CG1 3.66Å; G702-V706 PolarHBondContact O-N 2.86Å; F703-V706 PolarHBondContact O-N 3.27Å
707	W	98.1	Very high	96.9	Very high	32 Å²	32	20.6 Å²	20.6	12%	0.121	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	2.2	-176.1	-64	113.4	0	0	0	114.5	Y119 F142 F703 A704 Q705 S709 P728 R731 V732	Y119-W707 HydrophobicContact CE2-CB 4.49Å; Y119-W707 WeakPolarHBondContact CE2-O 3.31Å; Y119-W707 PolarHBondContact OH-O 3.44Å; F142-W707 AromaticContact CE2-CE3 3.93Å; F142-W707 HydrophobicContact CE2-CE3 3.93Å; F142-W707 HydrophobicContact CE2-CH2 4.27Å; F142-W707 AromaticContact CE2-CZ3 3.7Å; F142-W707 HydrophobicContact CE2-CZ3 3.7Å; F142-W707 HydrophobicContact CZ-CE3 4.5Å; F142-W707 HydrophobicContact CZ-CH2 4.02Å; F142-W707 AromaticContact CZ-CZ3 3.89Å; F142-W707 HydrophobicContact CZ-CZ3 3.89Å; F703-W707 AromaticContact CD2-NE1 3.97Å; F703-W707 AromaticContact CE2-CD1 3.93Å; F703-W707 AromaticContact CE2-NE1 3.44Å; F703-W707 AromaticContact CZ-NE1 3.98Å; A704-W707 PolarHBondContact O-N 2.8Å; A704-W707 VanDerWaalsContact O-N 3.15Å; Q705-W707 PolarHBondContact O-N 3.04Å; W707-S709 PolarHBondContact O-N 3.29Å; W707-S709 VanDerWaalsContact O-N 3.15Å; W707-S709 PolarHBondContact O-OG 3.44Å; W707-P728 HydrophobicContact CB-CB 4.05Å; W707-P728 HydrophobicContact CE3-CB 4.29Å; W707-P728 WeakPolarHBondContact O-CB 3.41Å; W707-R731 HydrophobicContact CD2-CB 4.39Å; W707-V732 HydrophobicContact CB-CG2 3.62Å; W707-V732 HydrophobicContact CG-CG2 3.91Å
708	C	98.2	Very high	96.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.			trans	-58.8	123.4	177.7	-63.3	0	0	0	0	110.8	C123 W126 S140 T141 Q705	C123-C708 WeakPolarHBondContact CA-SG 3.21Å; C123-C708 HydrophobicContact CB-CB 3.79Å; C123-C708 WeakPolarHBondContact CB-SG 3.25Å; C123-C708 WeakPolarHBondContact SG-CA 3.44Å; C123-C708 WeakPolarHBondContact SG-CB 3.5Å; C123-C708 CovalentContact SG-SG 2.04Å; C123-C708 PolarHBondContact SG-SG 3.01Å; W126-C708 HydrophobicContact CB-CB 4.23Å; W126-C708 HydrophobicContact CD2-CB 3.63Å; W126-C708 HydrophobicContact CE3-CB 3.69Å; W126-C708 HydrophobicContact CG-CB 3.87Å; W126-C708 HydrophobicContact CZ3-CB 4.34Å; S140-C708 VanDerWaalsContact CA-O 3.31Å; S140-C708 WeakPolarHBondContact CA-O 3.44Å; T141-C708 PolarHBondContact N-O 2.9Å; Q705-C708 VanDerWaalsContact CA-SG 3.52Å; Q705-C708 PolarHBondContact O-N 3.27Å; Q705-C708 PolarHBondContact O-SG 3.38Å
709	S	97.3	Very high	96.6	Very high	12 Å²	12	20.6 Å²	20.6	8%	0.084	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	156.7	-176.4	62.2	0	0	0	0	112.9	Y119 W139 W707 P728	Y119-S709 PolarHBondContact OH-N 2.94Å; Y119-S709 PolarHBondContact OH-O 3.29Å; Y119-S709 VanDerWaalsContact OH-O 3.1Å; Y119-S709 PolarHBondContact OH-OG 3.48Å; W139-S709 CarbonylContact O-C 3.26Å; W139-S709 WeakPolarHBondContact O-CA 3.43Å; W139-S709 WeakPolarHBondContact O-CB 3.43Å; W707-S709 PolarHBondContact O-N 3.29Å; W707-S709 VanDerWaalsContact O-N 3.15Å; W707-S709 PolarHBondContact O-OG 3.44Å; S709-P728 WeakPolarHBondContact OG-CB 3.46Å; S709-P728 WeakPolarHBondContact OG-CG 3.14Å
710	V	96.3	Very high	96.4	Very high	29 Å²	29	21.6 Å²	21.6	18%	0.176	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.4	168.9	-64.8	0	0	0	0	109	W126 M127 N130 L132 R138 W139	W126-V710 HydrophobicContact CZ3-CG1 4.34Å; M127-V710 HydrophobicContact CB-CG1 3.89Å; M127-V710 HydrophobicContact CG-CG1 3.82Å; M127-V710 HydrophobicContact SD-CG1 4.43Å; N130-V710 WeakPolarHBondContact O-CG2 3.05Å; L132-V710 HydrophobicContact CB-CG2 4.37Å; L132-V710 HydrophobicContact CD1-CG2 4.22Å; R138-V710 WeakPolarHBondContact CA-O 3.36Å; W139-V710 HydrophobicContact CB-CG2 3.8Å; W139-V710 PolarHBondContact N-O 2.98Å; W139-V710 PolarHBondContact O-N 3.05Å
711	R	95.1	Very high	96	Very high	71 Å²	71	22.8 Å²	22.8	27%	0.268	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155.9	-179.8	60.7	179.5	67	-173.6	-8.8	111.6	S137 R138 A716	S137-R711 CarbonylContact O-C 3.43Å; S137-R711 VanDerWaalsContact O-CA 3.27Å; S137-R711 WeakPolarHBondContact O-CA 3.45Å; R138-R711 HydrophobicContact CB-CB 4.31Å; R711-A716 HydrophobicContact CG-CB 4.08Å
712	T	95	Very high	95.8	Very high	14 Å²	14	24.6 Å²	24.6	9%	0.086	13%	0.132	C	C	.	.			trans	-66.1	155.6	167.8	52.7	0	0	0	0	110.8	L132 S137 Y415 E714 S715 A716	L132-T712 HydrophobicContact CD2-CG2 3.53Å; S137-T712 PolarHBondContact O-N 3.46Å; S137-T712 PolarHBondContact O-OG1 3.47Å; Y415-T712 WeakPolarHBondContact O-CB 3.37Å; Y415-T712 WeakPolarHBondContact O-CG2 3.32Å; Y415-T712 PolarHBondContact O-OG1 2.89Å; T712-E714 VanDerWaalsContact C-N 3.26Å; T712-E714 PolarHBondContact O-N 3.39Å; T712-S715 PolarHBondContact O-N 3.19Å; T712-S715 WeakPolarHBondContact OG1-CB 3.47Å; T712-S715 PolarHBondContact OG1-N 3Å; T712-S715 VanDerWaalsContact OG1-N 3.11Å; T712-A716 WeakPolarHBondContact O-CB 3.04Å; T712-A716 PolarHBondContact O-N 3.38Å
713	P	94.1	Very high	95.7	Very high	78 Å²	78	26.3 Å²	26.3	51%	0.506	14%	0.139	S	C	.	.	H	α-helix	trans	-56	-39.6	170.6	-25.8	35.5	0	0	0	113.3	A716 H717	P713-A716 WeakPolarHBondContact O-CB 3.43Å; P713-A716 PolarHBondContact O-N 2.75Å; P713-H717 PolarHBondContact O-N 3.4Å
714	E	94.4	Very high	95.6	Very high	80 Å²	80	28.4 Å²	28.4	37%	0.374	15%	0.153	S	C	.	.	H	α-helix	trans	-67.5	-45.2	-179.2	-63	78.1	-174.9	0	0	111.5	G416 T712 A716 H717 E718	G416-E714 WeakPolarHBondContact CA-OE2 3.37Å; T712-E714 VanDerWaalsContact C-N 3.26Å; T712-E714 PolarHBondContact O-N 3.39Å; E714-A716 VanDerWaalsContact C-N 3.25Å; E714-A716 PolarHBondContact O-N 3.46Å; E714-H717 PolarHBondContact O-N 2.84Å; E714-E718 PolarHBondContact O-N 3.48Å
715	S	94.9	Very high	95.6	Very high	7 Å²	7	31.2 Å²	31.2	5%	0.049	17%	0.166	C	C	.	.	H	α-helix	trans	-67.7	-26.5	173.5	-179.8	0	0	0	0	112.6	T712 G719	T712-S715 PolarHBondContact O-N 3.19Å; T712-S715 WeakPolarHBondContact OG1-CB 3.47Å; T712-S715 PolarHBondContact OG1-N 3Å; T712-S715 VanDerWaalsContact OG1-N 3.11Å; S715-G719 PolarHBondContact O-N 2.9Å; S715-G719 VanDerWaalsContact O-N 3.1Å
716	A	95.6	Very high	95.6	Very high	2 Å²	2	30.1 Å²	30.1	2%	0.017	16%	0.161	C	C	.	.	H	α-helix	trans	-67.4	-45.1	171.4	0	0	0	0	0	111.7	V647 R711 T712 P713 E714 L720	V647-A716 HydrophobicContact CG1-CB 3.94Å; R711-A716 HydrophobicContact CG-CB 4.08Å; T712-A716 WeakPolarHBondContact O-CB 3.04Å; T712-A716 PolarHBondContact O-N 3.38Å; P713-A716 WeakPolarHBondContact O-CB 3.43Å; P713-A716 PolarHBondContact O-N 2.75Å; E714-A716 VanDerWaalsContact C-N 3.25Å; E714-A716 PolarHBondContact O-N 3.46Å; A716-L720 WeakPolarHBondContact O-CG 3.33Å; A716-L720 PolarHBondContact O-N 3.01Å; A716-L720 VanDerWaalsContact O-N 3.17Å
717	H	94.3	Very high	95.7	Very high	30 Å²	30	30.4 Å²	30.4	14%	0.139	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-48.7	174.6	175.5	74.2	0	0	0	111.4	N268 E650 P713 E714 G719 L720 V721	N268-H717 PolarHBondContact OD1-NE2 3.3Å; E650-H717 VanDerWaalsContact CD-ND1 3.32Å; E650-H717 IonicContact OE1-CG 3.44Å; E650-H717 IonicContact OE1-ND1 3.92Å; E650-H717 PolarHBondContact OE1-ND1 3.11Å; E650-H717 IonicContact OE2-CE1 3.29Å; E650-H717 PolarHBondContact OE2-CE1 3.18Å; E650-H717 VanDerWaalsContact OE2-CE1 3.31Å; E650-H717 IonicContact OE2-CG 3.92Å; E650-H717 IonicContact OE2-ND1 2.7Å; E650-H717 PolarHBondContact OE2-ND1 3.31Å; P713-H717 PolarHBondContact O-N 3.4Å; E714-H717 PolarHBondContact O-N 2.84Å; H717-G719 PolarHBondContact O-N 3.21Å; H717-L720 WeakPolarHBondContact O-CB 3.44Å; H717-L720 PolarHBondContact O-N 2.05Å; H717-L720 VanDerWaalsContact O-N 3.12Å; H717-V721 WeakPolarHBondContact O-CG2 3.42Å; H717-V721 PolarHBondContact O-N 2.87Å
718	E	94.8	Very high	95.7	Very high	29 Å²	29	29.7 Å²	29.7	14%	0.136	16%	0.163	C	C	.	.	H	α-helix	trans	-55.6	-50.3	178.5	-174.6	-87.2	154.9	0	0	111.6	Y261 Y415 E714 L720 V721 T722	Y261-E718 HydrophobicContact CE2-CG 4.42Å; Y261-E718 VanDerWaalsContact OH-CA 3.31Å; Y261-E718 WeakPolarHBondContact OH-CA 3.47Å; Y261-E718 WeakPolarHBondContact OH-CB 3.29Å; Y261-E718 WeakPolarHBondContact OH-CG 3.28Å; Y415-E718 HydrophobicContact CD1-CB 4.46Å; Y415-E718 HydrophobicContact CD1-CG 4.35Å; Y415-E718 HydrophobicContact CE1-CB 4.28Å; Y415-E718 HydrophobicContact CE1-CG 3.7Å; E714-E718 PolarHBondContact O-N 3.48Å; E718-L720 VanDerWaalsContact C-N 3.29Å; E718-L720 PolarHBondContact O-N 3.34Å; E718-V721 PolarHBondContact O-N 3.07Å; E718-T722 VanDerWaalsContact CD-OG1 3.27Å; E718-T722 HydrophobicContact CG-CG2 4.39Å; E718-T722 PolarHBondContact O-N 2.9Å; E718-T722 PolarHBondContact O-OG1 3.38Å; E718-T722 WeakPolarHBondContact OE1-CB 3.2Å; E718-T722 WeakPolarHBondContact OE1-CG2 3.32Å; E718-T722 PolarHBondContact OE1-OG1 3.03Å
719	G	94.8	Very high	95.7	Very high	7 Å²	7	33.1 Å²	33.1	7%	0.072	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-31.1	178.7	0	0	0	0	0	114.1	S715 H717 V721 D723	S715-G719 PolarHBondContact O-N 2.9Å; S715-G719 VanDerWaalsContact O-N 3.1Å; H717-G719 PolarHBondContact O-N 3.21Å; G719-V721 PolarHBondContact O-N 3.15Å; G719-D723 WeakPolarHBondContact O-CB 3.4Å; G719-D723 PolarHBondContact O-N 2.84Å
720	L	94.6	Very high	95.8	Very high	20 Å²	20	34 Å²	34	11%	0.105	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-25.3	174.5	-72.9	176.7	0	0	0	112.9	V647 E650 I652 A716 H717 E718 P727	V647-L720 HydrophobicContact CB-CD1 4.23Å; V647-L720 HydrophobicContact CG2-CD2 4.47Å; E650-L720 HydrophobicContact CB-CD1 3.6Å; I652-L720 HydrophobicContact CB-CD2 4.43Å; I652-L720 HydrophobicContact CG1-CD2 3.53Å; A716-L720 WeakPolarHBondContact O-CG 3.33Å; A716-L720 PolarHBondContact O-N 3.01Å; A716-L720 VanDerWaalsContact O-N 3.17Å; H717-L720 WeakPolarHBondContact O-CB 3.44Å; H717-L720 PolarHBondContact O-N 2.05Å; H717-L720 VanDerWaalsContact O-N 3.12Å; E718-L720 VanDerWaalsContact C-N 3.29Å; E718-L720 PolarHBondContact O-N 3.34Å; L720-P727 HydrophobicContact CD2-CG 3.96Å
721	V	91.7	Very high	95.9	Very high	25 Å²	25	33.2 Å²	33.2	15%	0.152	17%	0.173	C	C	.	.	H	α-helix	trans	-94.5	-32.6	-176.7	178.5	0	0	0	0	111.4	S258 D260 Q656 H717 E718 G719	S258-V721 VanDerWaalsContact CB-CG1 3.48Å; S258-V721 WeakPolarHBondContact OG-CG1 3.46Å; D260-V721 HydrophobicContact CB-CG1 3.9Å; Q656-V721 PolarHBondContact NE2-O 2.98Å; H717-V721 WeakPolarHBondContact O-CG2 3.42Å; H717-V721 PolarHBondContact O-N 2.87Å; E718-V721 PolarHBondContact O-N 3.07Å; G719-V721 PolarHBondContact O-N 3.15Å
722	T	93.7	Very high	96.1	Very high	39 Å²	39	29.9 Å²	29.9	24%	0.239	16%	0.16	C	C	.	.	H	α-helix	trans	-111.2	-33.3	-169.3	59.9	0	0	0	0	114.4	P257 E718	P257-T722 HydrophobicContact CB-CG2 3.57Å; E718-T722 VanDerWaalsContact CD-OG1 3.27Å; E718-T722 HydrophobicContact CG-CG2 4.39Å; E718-T722 PolarHBondContact O-N 2.9Å; E718-T722 PolarHBondContact O-OG1 3.38Å; E718-T722 WeakPolarHBondContact OE1-CB 3.2Å; E718-T722 WeakPolarHBondContact OE1-CG2 3.32Å; E718-T722 PolarHBondContact OE1-OG1 3.03Å
723	D	95.4	Very high	96.2	Very high	44 Å²	44	29.9 Å²	29.9	24%	0.235	16%	0.16	C	C	.	.			trans	-82.2	126.7	-169.9	-159.8	-15.2	0	0	0	109.7	Q656 G719 H725	Q656-D723 PolarHBondContact NE2-O 3.12Å; G719-D723 WeakPolarHBondContact O-CB 3.4Å; G719-D723 PolarHBondContact O-N 2.84Å; D723-H725 PolarHBondContact O-N 3.07Å; D723-H725 WeakPolarHBondContact OD1-CB 3.43Å; D723-H725 IonicContact OD1-CE1 3.84Å; D723-H725 IonicContact OD1-CG 2.68Å; D723-H725 PolarHBondContact OD1-N 2.9Å; D723-H725 IonicContact OD1-ND1 2.8Å; D723-H725 PolarHBondContact OD1-ND1 3.49Å
724	P	96.7	Very high	96.4	Very high	46 Å²	46	26.2 Å²	26.2	30%	0.299	14%	0.136	S	C	.	.	S	Bend	trans	-69.6	-13.5	168.7	30.5	-36.8	0	0	0	111.8	T657 E660	T657-P724 WeakPolarHBondContact CA-O 3.37Å; T657-P724 WeakPolarHBondContact CB-O 2.98Å; T657-P724 WeakPolarHBondContact CG2-O 3.45Å; E660-P724 HydrophobicContact CG-CB 4.24Å; E660-P724 WeakPolarHBondContact CG-O 3.48Å
725	H	98.3	Very high	96.6	Very high	59 Å²	59	22.5 Å²	22.5	27%	0.273	12%	0.119	S	C	.	.	S	Bend	trans	-86.2	142	177.6	-51.6	92.1	0	0	0	111.7	E660 D723 R731	E660-H725 HydrophobicContact CG-CB 4.42Å; E660-H725 VanDerWaalsContact CG-CD2 3.41Å; E660-H725 WeakPolarHBondContact CG-CD2 3.26Å; E660-H725 IonicContact OE1-NE2 3.22Å; E660-H725 IonicContact OE2-CD2 3.31Å; E660-H725 PolarHBondContact OE2-CD2 3.24Å; E660-H725 IonicContact OE2-NE2 2.71Å; E660-H725 PolarHBondContact OE2-NE2 2.95Å; D723-H725 PolarHBondContact O-N 3.07Å; D723-H725 WeakPolarHBondContact OD1-CB 3.43Å; D723-H725 IonicContact OD1-CE1 3.84Å; D723-H725 IonicContact OD1-CG 2.68Å; D723-H725 PolarHBondContact OD1-N 2.9Å; D723-H725 IonicContact OD1-ND1 2.8Å; D723-H725 PolarHBondContact OD1-ND1 3.49Å; H725-R731 PolarHBondContact CD2-NH1 3.33Å
726	S	98.5	Very high	96.8	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.014	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-60.3	148.6	164.9	-76.8	0	0	0	0	111	Y642 N661 R731	Y642-S726 WeakPolarHBondContact CD1-OG 3.46Å; Y642-S726 VanDerWaalsContact CE1-OG 3.29Å; Y642-S726 WeakPolarHBondContact CE1-OG 3.47Å; N661-S726 WeakPolarHBondContact OD1-CB 3.48Å; N661-S726 PolarHBondContact OD1-OG 2.83Å; S726-R731 WeakPolarHBondContact O-CD 3.38Å; S726-R731 VanDerWaalsContact O-CG 3.22Å; S726-R731 WeakPolarHBondContact O-CG 3.23Å
727	P	98.3	Very high	97	Very high	13 Å²	13	22.2 Å²	22.2	8%	0.084	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-53.2	143.7	171.2	-26.8	34.9	0	0	0	111.6	V647 I652 L720 K729 Y730 R731	V647-P727 HydrophobicContact CG2-CB 4.14Å; V647-P727 HydrophobicContact CG2-CG 3.84Å; I652-P727 HydrophobicContact CD1-CG 3.93Å; I652-P727 HydrophobicContact CG1-CG 4.26Å; L720-P727 HydrophobicContact CD2-CG 3.96Å; P727-K729 PolarHBondContact O-N 3.46Å; P727-Y730 HydrophobicContact CB-CD2 4.34Å; P727-Y730 WeakPolarHBondContact O-CA 3.43Å; P727-Y730 PolarHBondContact O-N 3.16Å; P727-R731 PolarHBondContact O-N 3.42Å
728	P	98.1	Very high	97.2	Very high	17 Å²	17	21.4 Å²	21.4	11%	0.11	11%	0.114	C	C	.	.	H	α-helix	trans	-53.5	-36.9	-170.5	-31.4	36.8	0	0	0	114.7	W707 S709 Y730 R731 V732	W707-P728 HydrophobicContact CB-CB 4.05Å; W707-P728 HydrophobicContact CE3-CB 4.29Å; W707-P728 WeakPolarHBondContact O-CB 3.41Å; S709-P728 WeakPolarHBondContact OG-CB 3.46Å; S709-P728 WeakPolarHBondContact OG-CG 3.14Å; P728-Y730 VanDerWaalsContact C-N 3.27Å; P728-Y730 PolarHBondContact O-N 3.06Å; P728-R731 PolarHBondContact O-N 3.1Å; P728-V732 PolarHBondContact O-N 3.35Å; P728-V732 VanDerWaalsContact O-N 3.12Å
729	K	98.1	Very high	97.3	Very high	71 Å²	71	20.8 Å²	20.8	31%	0.309	11%	0.112	S	C	.	.	H	α-helix	trans	-54.1	-43.5	172.8	177	170.8	-175	167.1	0	112.4	D117 Y119 P727 V732 I733	D117-K729 WeakPolarHBondContact OD2-CE 3.49Å; D117-K729 IonicContact OD2-NZ 3.93Å; D117-K729 PolarHBondContact OD2-NZ 2.86Å; Y119-K729 HydrophobicContact CD1-CB 3.92Å; Y119-K729 HydrophobicContact CD1-CD 4.21Å; Y119-K729 HydrophobicContact CD1-CG 3.84Å; Y119-K729 HydrophobicContact CD2-CB 4.39Å; Y119-K729 HydrophobicContact CE1-CB 4.05Å; Y119-K729 HydrophobicContact CE1-CG 4.44Å; Y119-K729 HydrophobicContact CG-CB 4.09Å; Y119-K729 HydrophobicContact CG-CG 3.97Å; P727-K729 PolarHBondContact O-N 3.46Å; K729-V732 PolarHBondContact O-N 3.07Å; K729-I733 HydrophobicContact CD-CD1 4.23Å; K729-I733 HydrophobicContact CG-CD1 3.74Å; K729-I733 HydrophobicContact CG-CG1 4.48Å; K729-I733 WeakPolarHBondContact O-CB 3.22Å; K729-I733 WeakPolarHBondContact O-CG1 3.27Å; K729-I733 PolarHBondContact O-N 3.47Å
730	Y	98.6	Very high	97.4	Very high	30 Å²	30	24.6 Å²	24.6	12%	0.118	14%	0.136	C	C	.	.	H	α-helix	trans	-88.8	-19.4	-176.4	-64.4	-65.2	0	0	0	113.5	Y645 T646 V647 I652 P727 P728 V732 I733 G734	Y645-Y730 AromaticContact CD1-CD1 3.62Å; Y645-Y730 HydrophobicContact CD1-CD1 3.62Å; Y645-Y730 AromaticContact CD1-CE1 3.46Å; Y645-Y730 HydrophobicContact CD1-CE1 3.46Å; Y645-Y730 VanDerWaalsContact CD1-CE1 3.46Å; Y645-Y730 AromaticContact CD2-CD1 3.53Å; Y645-Y730 HydrophobicContact CD2-CD1 3.53Å; Y645-Y730 HydrophobicContact CD2-CE1 4.19Å; Y645-Y730 AromaticContact CD2-CG 3.93Å; Y645-Y730 HydrophobicContact CD2-CG 3.93Å; Y645-Y730 HydrophobicContact CE1-CD1 4.12Å; Y645-Y730 HydrophobicContact CE1-CE1 4.18Å; Y645-Y730 HydrophobicContact CE2-CD1 4.05Å; Y645-Y730 AromaticContact CG-CD1 3.32Å; Y645-Y730 HydrophobicContact CG-CD1 3.32Å; Y645-Y730 AromaticContact CG-CE1 3.48Å; Y645-Y730 HydrophobicContact CG-CE1 3.48Å; Y645-Y730 VanDerWaalsContact CG-CE1 3.48Å; Y645-Y730 AromaticContact CG-CG 3.95Å; Y645-Y730 HydrophobicContact CG-CG 3.95Å; T646-Y730 VanDerWaalsContact O-CE2 3.32Å; T646-Y730 WeakPolarHBondContact O-CE2 3.43Å; T646-Y730 PolarHBondContact O-OH 3.25Å; V647-Y730 HydrophobicContact CG2-CD2 4.13Å; V647-Y730 HydrophobicContact CG2-CE2 3.67Å; I652-Y730 HydrophobicContact CD1-CD2 3.35Å; I652-Y730 HydrophobicContact CD1-CE2 3.92Å; I652-Y730 HydrophobicContact CD1-CG 3.89Å; P727-Y730 HydrophobicContact CB-CD2 4.34Å; P727-Y730 WeakPolarHBondContact O-CA 3.43Å; P727-Y730 PolarHBondContact O-N 3.16Å; P728-Y730 VanDerWaalsContact C-N 3.27Å; P728-Y730 PolarHBondContact O-N 3.06Å; Y730-V732 VanDerWaalsContact C-N 3.26Å; Y730-I733 HydrophobicContact CD1-CB 4.43Å; Y730-G734 WeakPolarHBondContact O-CA 3.25Å; Y730-G734 PolarHBondContact O-N 2.77Å
731	R	98.8	Very high	97.6	Very high	14 Å²	14	24.9 Å²	24.9	5%	0.053	14%	0.138	C	C	.	.	H	α-helix	trans	-60.7	-38.7	160.7	-61.9	-169.5	79.1	157.2	2.4	111	H600 E660 D664 W707 H725 S726 P727 P728 T735	H600-R731 PolarHBondContact CE1-NH2 3.39Å; E660-R731 IonicContact OE2-NH2 3.92Å; D664-R731 IonicContact OD1-CZ 2.92Å; D664-R731 IonicContact OD1-NE 2.75Å; D664-R731 PolarHBondContact OD1-NE 3.39Å; D664-R731 IonicContact OD1-NH2 3.72Å; D664-R731 PolarHBondContact OD1-NH2 3.47Å; D664-R731 WeakPolarHBondContact OD2-CB 3.48Å; D664-R731 WeakPolarHBondContact OD2-CG 3.45Å; D664-R731 IonicContact OD2-CZ 2.79Å; D664-R731 IonicContact OD2-NE 3.35Å; D664-R731 PolarHBondContact OD2-NE 3.15Å; D664-R731 IonicContact OD2-NH2 3.87Å; W707-R731 HydrophobicContact CD2-CB 4.39Å; H725-R731 PolarHBondContact CD2-NH1 3.33Å; S726-R731 WeakPolarHBondContact O-CD 3.38Å; S726-R731 VanDerWaalsContact O-CG 3.22Å; S726-R731 WeakPolarHBondContact O-CG 3.23Å; P727-R731 PolarHBondContact O-N 3.42Å; P728-R731 PolarHBondContact O-N 3.1Å; R731-T735 WeakPolarHBondContact O-CB 3.41Å; R731-T735 PolarHBondContact O-OG1 3.19Å
732	V	98.8	Very high	97.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-74.1	-56.1	174.5	176.1	0	0	0	0	111.9	F118 Y119 F703 A704 W707 P728 K729 Y730 L736	F118-V732 HydrophobicContact CD1-CG1 4.11Å; Y119-V732 HydrophobicContact CD2-CB 4.04Å; Y119-V732 HydrophobicContact CD2-CG1 4.45Å; Y119-V732 HydrophobicContact CD2-CG2 3.9Å; Y119-V732 HydrophobicContact CE2-CG2 4.48Å; F703-V732 HydrophobicContact CE1-CB 4.47Å; F703-V732 HydrophobicContact CE1-CG1 4.45Å; F703-V732 HydrophobicContact CE1-CG2 4.34Å; A704-V732 HydrophobicContact CB-CG1 3.7Å; A704-V732 HydrophobicContact CB-CG2 4.14Å; W707-V732 HydrophobicContact CB-CG2 3.62Å; W707-V732 HydrophobicContact CG-CG2 3.91Å; P728-V732 PolarHBondContact O-N 3.35Å; P728-V732 VanDerWaalsContact O-N 3.12Å; K729-V732 PolarHBondContact O-N 3.07Å; Y730-V732 VanDerWaalsContact C-N 3.26Å; V732-L736 HydrophobicContact CG1-CD1 3.72Å; V732-L736 WeakPolarHBondContact O-CB 3.23Å; V732-L736 VanDerWaalsContact O-CG 3.26Å; V732-L736 WeakPolarHBondContact O-CG 3.24Å; V732-L736 PolarHBondContact O-N 3.43Å
733	I	98.7	Very high	98.2	Very high	15 Å²	15	22.3 Å²	22.3	8%	0.077	12%	0.122	C	C	.	.	H	α-helix	trans	-66	-48	-173	-70.3	175.5	0	0	0	111.8	Y645 K729 Y730 T735 A737 M754	Y645-I733 HydrophobicContact CE1-CG2 4.43Å; K729-I733 HydrophobicContact CD-CD1 4.23Å; K729-I733 HydrophobicContact CG-CD1 3.74Å; K729-I733 HydrophobicContact CG-CG1 4.48Å; K729-I733 WeakPolarHBondContact O-CB 3.22Å; K729-I733 WeakPolarHBondContact O-CG1 3.27Å; K729-I733 PolarHBondContact O-N 3.47Å; Y730-I733 HydrophobicContact CD1-CB 4.43Å; I733-T735 PolarHBondContact O-N 2.79Å; I733-A737 WeakPolarHBondContact O-CB 3.32Å; I733-A737 PolarHBondContact O-N 2.65Å; I733-M754 HydrophobicContact CB-SD 4.32Å; I733-M754 HydrophobicContact CG1-SD 4.04Å; I733-M754 HydrophobicContact CG2-SD 3.97Å
734	G	98.3	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.4	-45.6	-176.7	0	0	0	0	0	112.1	Q641 Y730 N738	Q641-G734 PolarHBondContact NE2-O 2.7Å; Y730-G734 WeakPolarHBondContact O-CA 3.25Å; Y730-G734 PolarHBondContact O-N 2.77Å; G734-N738 PolarHBondContact O-N 2.79Å; G734-N738 PolarHBondContact O-ND2 3.34Å
735	T	98.8	Very high	98.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	13%	0.13	C	C	.	.	H	α-helix	trans	-66.5	-47.7	179.7	-52.9	0	0	0	0	112.3	D664 L668 F703 R731 I733 N738 S739	D664-T735 HydrophobicContact CB-CG2 4.37Å; D664-T735 WeakPolarHBondContact CB-OG1 3.31Å; D664-T735 WeakPolarHBondContact O-CG2 3.45Å; L668-T735 HydrophobicContact CB-CG2 3.75Å; L668-T735 HydrophobicContact CD2-CG2 3.49Å; L668-T735 VanDerWaalsContact CD2-CG2 3.49Å; L668-T735 HydrophobicContact CG-CG2 4.21Å; F703-T735 HydrophobicContact CE1-CG2 4.47Å; F703-T735 HydrophobicContact CZ-CG2 4.01Å; R731-T735 WeakPolarHBondContact O-CB 3.41Å; R731-T735 PolarHBondContact O-OG1 3.19Å; I733-T735 PolarHBondContact O-N 2.79Å; T735-N738 PolarHBondContact O-N 3.22Å; T735-S739 PolarHBondContact O-N 3.49Å
736	L	98.8	Very high	98.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-71.8	-31.9	-178.6	-66.1	177.6	0	0	0	112.7	F118 L668 F700 F703 V732 N738 S739 F742 M754	F118-L736 HydrophobicContact CB-CD1 4.13Å; F118-L736 HydrophobicContact CD1-CD1 3.13Å; F118-L736 HydrophobicContact CE1-CD1 3.68Å; F118-L736 HydrophobicContact CG-CD1 3.78Å; L668-L736 HydrophobicContact CD2-CD2 3.65Å; F700-L736 HydrophobicContact CB-CD2 4.4Å; F700-L736 HydrophobicContact CD1-CD2 3.55Å; F700-L736 HydrophobicContact CE1-CD2 4.26Å; F700-L736 HydrophobicContact CG-CD2 4.33Å; F703-L736 HydrophobicContact CD1-CD1 4.31Å; F703-L736 HydrophobicContact CD1-CD2 3.98Å; F703-L736 HydrophobicContact CD1-CG 4.2Å; F703-L736 HydrophobicContact CE1-CD1 4.28Å; F703-L736 HydrophobicContact CE1-CD2 4.03Å; F703-L736 HydrophobicContact CE1-CG 3.9Å; V732-L736 HydrophobicContact CG1-CD1 3.72Å; V732-L736 WeakPolarHBondContact O-CB 3.23Å; V732-L736 VanDerWaalsContact O-CG 3.26Å; V732-L736 WeakPolarHBondContact O-CG 3.24Å; V732-L736 PolarHBondContact O-N 3.43Å; L736-N738 PolarHBondContact O-N 2.92Å; L736-S739 PolarHBondContact O-N 3.41Å; L736-F742 HydrophobicContact CB-CD1 4.03Å; L736-F742 HydrophobicContact CB-CD2 4.32Å; L736-F742 HydrophobicContact CB-CE1 4.35Å; L736-F742 HydrophobicContact CB-CG 4.03Å; L736-F742 HydrophobicContact CD1-CD2 4.11Å; L736-F742 HydrophobicContact CD1-CE2 3.96Å; L736-F742 HydrophobicContact CD1-CZ 4.41Å; L736-F742 HydrophobicContact CD2-CB 4.12Å; L736-F742 HydrophobicContact CD2-CD2 3.79Å; L736-F742 HydrophobicContact CD2-CE2 4.47Å; L736-F742 HydrophobicContact CD2-CG 3.96Å; L736-F742 HydrophobicContact CG-CD2 4.3Å; L736-F742 HydrophobicContact CG-CG 4.42Å; L736-M754 HydrophobicContact CB-CE 3.45Å; L736-M754 VanDerWaalsContact CB-CE 3.45Å; L736-M754 HydrophobicContact CD1-CE 4.18Å; L736-M754 HydrophobicContact CG-CE 4.45Å
737	A	98.2	Very high	98.4	Very high	4 Å²	4	31 Å²	31	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-24.5	173.7	0	0	0	0	0	112.7	I733	I733-A737 WeakPolarHBondContact O-CB 3.32Å; I733-A737 PolarHBondContact O-N 2.65Å
738	N	98.5	Very high	98.3	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.064	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-6.4	175.1	-69.1	-28.4	0	0	0	113.7	Q641 N665 G734 T735 L736 P740 P759 C760	Q641-N738 PolarHBondContact NE2-ND2 2.88Å; Q641-N738 PolarHBondContact OE1-ND2 2.79Å; Q641-N738 PolarHBondContact OE1-OD1 2.75Å; N665-N738 VanDerWaalsContact OD1-CB 3.23Å; N665-N738 WeakPolarHBondContact OD1-CB 3.47Å; N665-N738 PolarHBondContact OD1-ND2 2.04Å; G734-N738 PolarHBondContact O-N 2.79Å; G734-N738 PolarHBondContact O-ND2 3.34Å; T735-N738 PolarHBondContact O-N 3.22Å; L736-N738 PolarHBondContact O-N 2.92Å; N738-P740 VanDerWaalsContact O-CD 3.29Å; N738-P740 WeakPolarHBondContact O-CD 3.29Å; N738-P759 HydrophobicContact CB-CB 4.43Å; N738-P759 WeakPolarHBondContact O-CB 3.34Å; N738-C760 WeakPolarHBondContact CB-O 3.4Å; N738-C760 PolarHBondContact OD1-N 3.21Å
739	S	98.4	Very high	98.3	Very high	16 Å²	16	33.8 Å²	33.8	11%	0.112	17%	0.174	C	C	.	.			trans	-95.8	110.1	-176.6	178.4	0	0	0	0	112.2	T735 L736 D741 F742 S743	T735-S739 PolarHBondContact O-N 3.49Å; L736-S739 PolarHBondContact O-N 3.41Å; S739-D741 VanDerWaalsContact C-N 3.25Å; S739-D741 PolarHBondContact O-N 2.75Å; S739-F742 PolarHBondContact O-N 2.82Å; S739-F742 PolarHBondContact OG-N 3.22Å; S739-F742 VanDerWaalsContact OG-N 3.15Å; S739-S743 PolarHBondContact O-N 3.4Å; S739-S743 PolarHBondContact O-OG 2.8Å
740	P	97.1	Very high	98.3	Very high	87 Å²	87	38.5 Å²	38.5	57%	0.565	19%	0.194	S	C	*	.	H	α-helix	trans	-65.4	-31.3	173.4	-20	34.4	0	0	0	112.2	N738 S743 R744	N738-P740 VanDerWaalsContact O-CD 3.29Å; N738-P740 WeakPolarHBondContact O-CD 3.29Å; P740-S743 PolarHBondContact O-N 3.34Å; P740-R744 WeakPolarHBondContact O-CB 3.34Å; P740-R744 PolarHBondContact O-N 2.79Å
741	D	98	Very high	98	Very high	26 Å²	26	40.1 Å²	40.1	14%	0.139	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-47.7	176.6	-63.1	-67.4	0	0	0	111	Y672 H673 F700 S739 S743 R744 H745	Y672-D741 HydrophobicContact CD1-CB 3.72Å; Y672-D741 HydrophobicContact CE1-CB 3.42Å; Y672-D741 VanDerWaalsContact CE1-CB 3.42Å; Y672-D741 VanDerWaalsContact CE1-CG 3.45Å; H673-D741 IonicContact NE2-OD2 3.09Å; F700-D741 HydrophobicContact CZ-CB 3.95Å; S739-D741 VanDerWaalsContact C-N 3.25Å; S739-D741 PolarHBondContact O-N 2.75Å; D741-S743 PolarHBondContact O-N 2.77Å; D741-R744 WeakPolarHBondContact O-CB 3.27Å; D741-R744 PolarHBondContact O-N 3Å; D741-R744 IonicContact OD1-CZ 3.72Å; D741-R744 IonicContact OD1-NH1 3.17Å; D741-R744 PolarHBondContact OD1-NH1 3.39Å; D741-R744 IonicContact OD1-NH2 2.83Å; D741-R744 PolarHBondContact OD1-NH2 2.84Å; D741-H745 PolarHBondContact O-CD2 3.37Å; D741-H745 PolarHBondContact O-N 3.4Å
742	F	98.8	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-53.9	-53.4	173.4	169.6	-97.3	0	0	0	111.2	F118 F700 L736 S739 R744 H745 F746 M754	F118-F742 HydrophobicContact CB-CZ 4.13Å; F118-F742 HydrophobicContact CD1-CE2 4.11Å; F118-F742 HydrophobicContact CD1-CZ 4.47Å; F118-F742 AromaticContact CD2-CE2 3.49Å; F118-F742 HydrophobicContact CD2-CE2 3.49Å; F118-F742 VanDerWaalsContact CD2-CE2 3.49Å; F118-F742 AromaticContact CD2-CZ 3.45Å; F118-F742 HydrophobicContact CD2-CZ 3.45Å; F118-F742 VanDerWaalsContact CD2-CZ 3.45Å; F118-F742 HydrophobicContact CE1-CE2 4.09Å; F118-F742 AromaticContact CE2-CE2 3.51Å; F118-F742 HydrophobicContact CE2-CE2 3.51Å; F118-F742 AromaticContact CE2-CZ 3.93Å; F118-F742 HydrophobicContact CE2-CZ 3.93Å; F118-F742 AromaticContact CG-CE2 3.79Å; F118-F742 HydrophobicContact CG-CE2 3.79Å; F118-F742 AromaticContact CG-CZ 3.76Å; F118-F742 HydrophobicContact CG-CZ 3.76Å; F118-F742 AromaticContact CZ-CE2 3.8Å; F118-F742 HydrophobicContact CZ-CE2 3.8Å; F700-F742 HydrophobicContact CB-CD2 3.91Å; F700-F742 HydrophobicContact CB-CE2 4.41Å; F700-F742 HydrophobicContact CD1-CB 4.03Å; F700-F742 HydrophobicContact CD1-CD2 4.05Å; F700-F742 HydrophobicContact CD2-CD2 4.18Å; F700-F742 HydrophobicContact CE1-CB 3.84Å; F700-F742 HydrophobicContact CE2-CB 4.35Å; F700-F742 HydrophobicContact CG-CB 4.36Å; F700-F742 AromaticContact CG-CD2 3.78Å; F700-F742 HydrophobicContact CG-CD2 3.78Å; F700-F742 HydrophobicContact CZ-CB 4.03Å; L736-F742 HydrophobicContact CB-CD1 4.03Å; L736-F742 HydrophobicContact CB-CD2 4.32Å; L736-F742 HydrophobicContact CB-CE1 4.35Å; L736-F742 HydrophobicContact CB-CG 4.03Å; L736-F742 HydrophobicContact CD1-CD2 4.11Å; L736-F742 HydrophobicContact CD1-CE2 3.96Å; L736-F742 HydrophobicContact CD1-CZ 4.41Å; L736-F742 HydrophobicContact CD2-CB 4.12Å; L736-F742 HydrophobicContact CD2-CD2 3.79Å; L736-F742 HydrophobicContact CD2-CE2 4.47Å; L736-F742 HydrophobicContact CD2-CG 3.96Å; L736-F742 HydrophobicContact CG-CD2 4.3Å; L736-F742 HydrophobicContact CG-CG 4.42Å; S739-F742 PolarHBondContact O-N 2.82Å; S739-F742 PolarHBondContact OG-N 3.22Å; S739-F742 VanDerWaalsContact OG-N 3.15Å; F742-R744 PolarHBondContact O-N 3.26Å; F742-H745 PolarHBondContact O-N 2.87Å; F742-H745 VanDerWaalsContact O-N 3.1Å; F742-F746 AromaticContact CD2-CD2 3.57Å; F742-F746 HydrophobicContact CD2-CD2 3.57Å; F742-F746 AromaticContact CD2-CE2 3.86Å; F742-F746 HydrophobicContact CD2-CE2 3.86Å; F742-F746 HydrophobicContact CE2-CB 4.5Å; F742-F746 AromaticContact CE2-CD2 3.3Å; F742-F746 HydrophobicContact CE2-CD2 3.3Å; F742-F746 AromaticContact CE2-CE2 3.59Å; F742-F746 HydrophobicContact CE2-CE2 3.59Å; F742-F746 AromaticContact CE2-CG 3.93Å; F742-F746 HydrophobicContact CE2-CG 3.93Å; F742-F746 HydrophobicContact CE2-CZ 4.42Å; F742-F746 HydrophobicContact CG-CD2 4.43Å; F742-F746 HydrophobicContact CZ-CB 4.33Å; F742-F746 AromaticContact CZ-CD2 3.97Å; F742-F746 HydrophobicContact CZ-CD2 3.97Å; F742-F746 HydrophobicContact CZ-CG 4.16Å; F742-F746 PolarHBondContact O-N 2.81Å; F742-M754 HydrophobicContact CE1-CB 3.85Å; F742-M754 HydrophobicContact CE1-CE 4.09Å; F742-M754 HydrophobicContact CZ-CE 4.31Å
743	S	98.4	Very high	97.8	Very high	10 Å²	10	43.3 Å²	43.3	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-57.7	-37.9	-178.8	-69.5	0	0	0	0	112.1	S739 P740 D741 N747 C748 M754 N755	S739-S743 PolarHBondContact O-N 3.4Å; S739-S743 PolarHBondContact O-OG 2.8Å; P740-S743 PolarHBondContact O-N 3.34Å; D741-S743 PolarHBondContact O-N 2.77Å; S743-N747 CarbonylContact O-C 3.55Å; S743-N747 WeakPolarHBondContact O-CA 3.4Å; S743-N747 PolarHBondContact O-N 3.26Å; S743-C748 PolarHBondContact O-N 3.47Å; S743-M754 PolarHBondContact OG-O 3.49Å; S743-N755 WeakPolarHBondContact OG-CB 3.4Å
744	R	98.3	Very high	97.7	Very high	142 Å²	142	42.6 Å²	42.6	54%	0.536	24%	0.239	S	C	.	.	H	α-helix	trans	-67.3	-46	176	-177.2	-177.6	64.2	-145.9	-8.7	111.9	P740 D741 F742 N747	P740-R744 WeakPolarHBondContact O-CB 3.34Å; P740-R744 PolarHBondContact O-N 2.79Å; D741-R744 WeakPolarHBondContact O-CB 3.27Å; D741-R744 PolarHBondContact O-N 3Å; D741-R744 IonicContact OD1-CZ 3.72Å; D741-R744 IonicContact OD1-NH1 3.17Å; D741-R744 PolarHBondContact OD1-NH1 3.39Å; D741-R744 IonicContact OD1-NH2 2.83Å; D741-R744 PolarHBondContact OD1-NH2 2.84Å; F742-R744 PolarHBondContact O-N 3.26Å; R744-N747 PolarHBondContact O-N 2.85Å; R744-N747 PolarHBondContact O-OD1 3.2Å
745	H	98.4	Very high	97.7	Very high	36 Å²	36	44.1 Å²	44.1	17%	0.167	25%	0.247	C	C	.	.	H	α-helix	trans	-73	-26.5	-176.3	-76.6	-71.1	0	0	0	113.7	Y672 D696 Q697 F700 D741 F742	Y672-H745 AromaticContact CZ-NE2 3.96Å; Y672-H745 PolarHBondContact OH-CD2 3.31Å; Y672-H745 VanDerWaalsContact OH-CD2 3.31Å; Y672-H745 PolarHBondContact OH-NE2 2.83Å; D696-H745 VanDerWaalsContact CB-CE1 3.48Å; D696-H745 WeakPolarHBondContact CB-CE1 3.25Å; D696-H745 VanDerWaalsContact CB-ND1 3.32Å; D696-H745 WeakPolarHBondContact CB-ND1 3.4Å; D696-H745 IonicContact OD1-CE1 2.7Å; D696-H745 IonicContact OD2-CE1 3.47Å; D696-H745 PolarHBondContact OD2-CE1 2.86Å; D696-H745 IonicContact OD2-ND1 3.58Å; Q697-H745 HydrophobicContact CG-CB 4.17Å; Q697-H745 PolarHBondContact NE2-O 3.44Å; F700-H745 HydrophobicContact CE2-CB 4.38Å; D741-H745 PolarHBondContact O-CD2 3.37Å; D741-H745 PolarHBondContact O-N 3.4Å; F742-H745 PolarHBondContact O-N 2.87Å; F742-H745 VanDerWaalsContact O-N 3.1Å
746	F	98.3	Very high	97.4	Very high	19 Å²	19	47.2 Å²	47.2	8%	0.083	27%	0.266	C	S	.	.	H	α-helix	trans	-98.1	0.9	173.5	-74.4	-89.5	0	0	0	113.9	P114 F118 F121 Q697 F700 F742 C748	P114-F746 HydrophobicContact CB-CD1 3.79Å; P114-F746 HydrophobicContact CB-CE1 4.23Å; P114-F746 HydrophobicContact CG-CD1 3.96Å; F118-F746 HydrophobicContact CE2-CD1 4.07Å; F118-F746 HydrophobicContact CE2-CD2 4.36Å; F118-F746 AromaticContact CE2-CE1 3.56Å; F118-F746 HydrophobicContact CE2-CE1 3.56Å; F118-F746 AromaticContact CE2-CE2 3.88Å; F118-F746 HydrophobicContact CE2-CE2 3.88Å; F118-F746 HydrophobicContact CE2-CG 4.44Å; F118-F746 AromaticContact CE2-CZ 3.45Å; F118-F746 HydrophobicContact CE2-CZ 3.45Å; F118-F746 VanDerWaalsContact CE2-CZ 3.45Å; F118-F746 HydrophobicContact CZ-CE1 4.19Å; F118-F746 AromaticContact CZ-CE2 3.99Å; F118-F746 HydrophobicContact CZ-CE2 3.99Å; F118-F746 AromaticContact CZ-CZ 3.63Å; F118-F746 HydrophobicContact CZ-CZ 3.63Å; F121-F746 HydrophobicContact CE1-CE1 4.17Å; Q697-F746 HydrophobicContact CB-CE1 4.3Å; Q697-F746 HydrophobicContact CB-CE2 3.98Å; Q697-F746 HydrophobicContact CB-CZ 3.65Å; Q697-F746 HydrophobicContact CG-CD2 4.3Å; Q697-F746 HydrophobicContact CG-CE1 4.17Å; Q697-F746 HydrophobicContact CG-CE2 3.86Å; Q697-F746 HydrophobicContact CG-CZ 3.79Å; F700-F746 HydrophobicContact CB-CE2 4.05Å; F700-F746 HydrophobicContact CD2-CE2 4.15Å; F700-F746 HydrophobicContact CG-CE2 4.47Å; F742-F746 AromaticContact CD2-CD2 3.57Å; F742-F746 HydrophobicContact CD2-CD2 3.57Å; F742-F746 AromaticContact CD2-CE2 3.86Å; F742-F746 HydrophobicContact CD2-CE2 3.86Å; F742-F746 HydrophobicContact CE2-CB 4.5Å; F742-F746 AromaticContact CE2-CD2 3.3Å; F742-F746 HydrophobicContact CE2-CD2 3.3Å; F742-F746 AromaticContact CE2-CE2 3.59Å; F742-F746 HydrophobicContact CE2-CE2 3.59Å; F742-F746 AromaticContact CE2-CG 3.93Å; F742-F746 HydrophobicContact CE2-CG 3.93Å; F742-F746 HydrophobicContact CE2-CZ 4.42Å; F742-F746 HydrophobicContact CG-CD2 4.43Å; F742-F746 HydrophobicContact CZ-CB 4.33Å; F742-F746 AromaticContact CZ-CD2 3.97Å; F742-F746 HydrophobicContact CZ-CD2 3.97Å; F742-F746 HydrophobicContact CZ-CG 4.16Å; F742-F746 PolarHBondContact O-N 2.81Å; F746-C748 VanDerWaalsContact C-N 3.27Å; F746-C748 PolarHBondContact O-N 2.86Å
747	N	98	Very high	97	Very high	136 Å²	136	48.3 Å²	48.3	73%	0.727	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	40.8	-177.1	-58.4	-66.7	0	0	0	113.1	S743 R744 P749	S743-N747 CarbonylContact O-C 3.55Å; S743-N747 WeakPolarHBondContact O-CA 3.4Å; S743-N747 PolarHBondContact O-N 3.26Å; R744-N747 PolarHBondContact O-N 2.85Å; R744-N747 PolarHBondContact O-OD1 3.2Å; N747-P749 VanDerWaalsContact O-CD 3.32Å; N747-P749 WeakPolarHBondContact O-CD 3.27Å
748	C	98.2	Very high	96.8	Very high	8 Å²	8	56.6 Å²	56.6	5%	0.054	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-72.3	121	-177.5	-64.1	0	0	0	0	111.7	C115 S743 F746 N755	C115-C748 WeakPolarHBondContact CA-SG 3.32Å; C115-C748 HydrophobicContact CB-CB 3.69Å; C115-C748 WeakPolarHBondContact CB-SG 3.28Å; C115-C748 WeakPolarHBondContact SG-CA 3.35Å; C115-C748 WeakPolarHBondContact SG-CB 3.29Å; C115-C748 CovalentContact SG-SG 2.05Å; C115-C748 PolarHBondContact SG-SG 3.38Å; S743-C748 PolarHBondContact O-N 3.47Å; F746-C748 VanDerWaalsContact C-N 3.27Å; F746-C748 PolarHBondContact O-N 2.86Å; C748-N755 HydrophobicContact CB-CB 4Å; C748-N755 PolarHBondContact O-ND2 2.88Å
749	P	97.6	Very high	96.6	Very high	82 Å²	82	59 Å²	59	53%	0.532	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-61.7	146.7	177.1	-22.3	33.3	0	0	0	112.2	N747 G751 T752	N747-P749 VanDerWaalsContact O-CD 3.32Å; N747-P749 WeakPolarHBondContact O-CD 3.27Å; P749-G751 PolarHBondContact O-N 3.32Å; P749-T752 HydrophobicContact CB-CG2 4.15Å; P749-T752 HydrophobicContact CG-CG2 4.32Å; P749-T752 WeakPolarHBondContact O-CG2 3.34Å; P749-T752 PolarHBondContact O-N 2.93Å; P749-T752 PolarHBondContact O-OG1 3.34Å
750	K	96.8	Very high	96.5	Very high	170 Å²	170	58.6 Å²	58.6	74%	0.739	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	133.2	173.2	-170.1	178.1	-175.9	177.1	0	110.1
751	G	94	Very high	96.4	Very high	63 Å²	63	58.7 Å²	58.7	65%	0.649	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.2	-3	-178.4	0	0	0	0	0	114.6	P749 N755	P749-G751 PolarHBondContact O-N 3.32Å; G751-N755 PolarHBondContact N-O 2.67Å
752	T	96.6	Very high	96.4	Very high	18 Å²	18	57.6 Å²	57.6	11%	0.11	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-74.8	160.4	168.1	68.5	0	0	0	0	110.7	C115 P749 M754 N755 T756	C115-T752 VanDerWaalsContact O-CB 3.25Å; C115-T752 WeakPolarHBondContact O-CB 3.31Å; C115-T752 PolarHBondContact O-OG1 2.94Å; C115-T752 VanDerWaalsContact O-OG1 3.11Å; P749-T752 HydrophobicContact CB-CG2 4.15Å; P749-T752 HydrophobicContact CG-CG2 4.32Å; P749-T752 WeakPolarHBondContact O-CG2 3.34Å; P749-T752 PolarHBondContact O-N 2.93Å; P749-T752 PolarHBondContact O-OG1 3.34Å; T752-M754 PolarHBondContact O-N 3.41Å; T752-N755 PolarHBondContact N-O 3.32Å; T752-N755 CarbonylContact O-C 3.48Å; T752-N755 PolarHBondContact O-N 2.87Å; T752-N755 PolarHBondContact OG1-N 2.86Å; T752-T756 PolarHBondContact O-N 3.42Å
753	P	95.2	Very high	96.3	Very high	64 Å²	64	58 Å²	58	42%	0.416	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.5	177.4	-27.9	35.4	0	0	0	113.6	Q116	Q116-P753 WeakPolarHBondContact O-CB 3.29Å
754	M	97.9	Very high	96.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	2.1	178.9	-55	-60.1	-53.6	0	0	114.4	P114 C115 F118 I733 L736 F742 S743 T752	P114-M754 WeakPolarHBondContact O-CG 3.38Å; C115-M754 WeakPolarHBondContact O-CB 3.28Å; C115-M754 WeakPolarHBondContact O-CG 3.39Å; C115-M754 PolarHBondContact O-N 2.85Å; F118-M754 HydrophobicContact CB-CE 3.62Å; F118-M754 HydrophobicContact CB-CG 4.38Å; F118-M754 HydrophobicContact CB-SD 4.08Å; I733-M754 HydrophobicContact CB-SD 4.32Å; I733-M754 HydrophobicContact CG1-SD 4.04Å; I733-M754 HydrophobicContact CG2-SD 3.97Å; L736-M754 HydrophobicContact CB-CE 3.45Å; L736-M754 VanDerWaalsContact CB-CE 3.45Å; L736-M754 HydrophobicContact CD1-CE 4.18Å; L736-M754 HydrophobicContact CG-CE 4.45Å; F742-M754 HydrophobicContact CE1-CB 3.85Å; F742-M754 HydrophobicContact CE1-CE 4.09Å; F742-M754 HydrophobicContact CZ-CE 4.31Å; S743-M754 PolarHBondContact OG-O 3.49Å; T752-M754 PolarHBondContact O-N 3.41Å
755	N	97.4	Very high	96	Very high	32 Å²	32	56.2 Å²	56.2	17%	0.171	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-150	76.1	172.3	-178	2.2	0	0	0	109.5	S743 C748 G751 T752 G757	S743-N755 WeakPolarHBondContact OG-CB 3.4Å; C748-N755 HydrophobicContact CB-CB 4Å; C748-N755 PolarHBondContact O-ND2 2.88Å; G751-N755 PolarHBondContact N-O 2.67Å; T752-N755 PolarHBondContact N-O 3.32Å; T752-N755 CarbonylContact O-C 3.48Å; T752-N755 PolarHBondContact O-N 2.87Å; T752-N755 PolarHBondContact OG1-N 2.86Å; N755-G757 PolarHBondContact O-N 3.49Å; N755-G757 VanDerWaalsContact O-N 3.11Å; N755-G757 PolarHBondContact OD1-N 2.88Å
756	T	92.1	Very high	95.9	Very high	67 Å²	67	57.3 Å²	57.3	41%	0.411	32%	0.324	S	S	.	.			trans	-64.4	-18	-177.7	66.9	0	0	0	0	112.7	T752 K758	T752-T756 PolarHBondContact O-N 3.42Å; T756-K758 PolarHBondContact O-N 3.35Å; T756-K758 PolarHBondContact OG1-N 3.01Å; T756-K758 PolarHBondContact OG1-O 3.29Å
757	G	91.8	Very high	95.8	Very high	23 Å²	23	59.5 Å²	59.5	24%	0.237	34%	0.338	C	S	.	.	S	Bend	trans	75.5	7	-174.1	0	0	0	0	0	114.5	N755	N755-G757 PolarHBondContact O-N 3.49Å; N755-G757 VanDerWaalsContact O-N 3.11Å; N755-G757 PolarHBondContact OD1-N 2.88Å
758	K	92.6	Very high	95.6	Very high	177 Å²	177	54.8 Å²	54.8	77%	0.77	31%	0.314	S	S	*	.			trans	-135.4	68.5	174.5	-64.3	-177.3	-178.9	-178.7	0	109	T756	T756-K758 PolarHBondContact O-N 3.35Å; T756-K758 PolarHBondContact OG1-N 3.01Å; T756-K758 PolarHBondContact OG1-O 3.29Å
759	P	95	Very high	95.5	Very high	63 Å²	63	57.9 Å²	57.9	41%	0.409	33%	0.331	S	S	.	.			trans	-67	139.3	-179.5	29.5	-34.7	0	0	0	110.5	N738	N738-P759 HydrophobicContact CB-CB 4.43Å; N738-P759 WeakPolarHBondContact O-CB 3.34Å
760	C	96.9	Very high	95.3	Very high	7 Å²	7	56.1 Å²	56.1	5%	0.047	32%	0.317	C	S	.	.			trans	-80.3	135.1	165.6	-59.1	0	0	0	0	109.3	C637 M638 N738	C637-C760 HydrophobicContact CB-CB 3.78Å; C637-C760 WeakPolarHBondContact CB-SG 3.37Å; C637-C760 PolarHBondContact O-SG 2.93Å; C637-C760 WeakPolarHBondContact SG-CA 3.35Å; C637-C760 WeakPolarHBondContact SG-CB 3.46Å; C637-C760 CovalentContact SG-SG 2.05Å; C637-C760 PolarHBondContact SG-SG 3.08Å; M638-C760 HydrophobicContact CE-CB 4.32Å; M638-C760 HydrophobicContact CG-CB 3.74Å; N738-C760 WeakPolarHBondContact CB-O 3.4Å; N738-C760 PolarHBondContact OD1-N 3.21Å
761	E	94.9	Very high	95.2	Very high	90 Å²	90	47.4 Å²	47.4	42%	0.421	28%	0.284	S	S	.	.			trans	-143.3	126.4	-179.8	-174.1	179	-167.3	0	0	110.3	R634 K669	R634-E761 WeakPolarHBondContact CD-O 3.26Å; R634-E761 PolarHBondContact NH1-O 3.21Å; K669-E761 IonicContact NZ-OE1 3.96Å; K669-E761 PolarHBondContact NZ-OE1 2.83Å
762	V	96.9	Very high	95.3	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	25%	0.254	C	S	.	.			trans	-113.9	-69.7	174.5	-176.9	0	0	0	0	109.2	W477 F631 R634 T635 M638	W477-V762 HydrophobicContact CZ2-CG1 4.27Å; W477-V762 WeakPolarHBondContact CZ2-O 3.35Å; W477-V762 PolarHBondContact NE1-O 3.13Å; F631-V762 HydrophobicContact CD2-CG1 3.72Å; F631-V762 HydrophobicContact CE2-CG1 3.5Å; R634-V762 HydrophobicContact CB-CG2 4.15Å; T635-V762 HydrophobicContact CG2-CG2 4.1Å; M638-V762 HydrophobicContact CE-CG2 3.9Å; M638-V762 HydrophobicContact SD-CG2 4.07Å
763	W	95.9	Very high	95.2	Very high	9 Å²	9	48.6 Å²	48.6	3%	0.034	27%	0.267	C	S	.	.			trans	-96.4	0	-177.5	-61.1	115.6	0	0	0	113.5	F468 L472 L475 W477 M478 T603 F606 W623 F631 I662 K669	F468-W763 HydrophobicContact CE2-CB 3.92Å; F468-W763 HydrophobicContact CE2-CD2 4.37Å; F468-W763 HydrophobicContact CE2-CE3 4.39Å; F468-W763 HydrophobicContact CE2-CG 4.15Å; F468-W763 HydrophobicContact CZ-CD2 4.23Å; F468-W763 AromaticContact CZ-CE3 3.97Å; F468-W763 HydrophobicContact CZ-CE3 3.97Å; F468-W763 HydrophobicContact CZ-CG 4.47Å; L472-W763 HydrophobicContact CD2-CE3 3.88Å; L472-W763 HydrophobicContact CD2-CZ3 3.76Å; L475-W763 HydrophobicContact CD1-CE3 3.86Å; L475-W763 HydrophobicContact CD1-CZ3 4.1Å; W477-W763 AromaticContact CH2-CH2 3.84Å; W477-W763 HydrophobicContact CH2-CH2 3.84Å; W477-W763 HydrophobicContact CH2-CZ2 4.24Å; W477-W763 HydrophobicContact CH2-CZ3 4.15Å; W477-W763 HydrophobicContact CZ2-CE3 4.33Å; W477-W763 HydrophobicContact CZ2-CH2 4.13Å; W477-W763 HydrophobicContact CZ2-CZ2 4.48Å; W477-W763 HydrophobicContact CZ2-CZ3 4.04Å; M478-W763 HydrophobicContact CE-CH2 3.54Å; M478-W763 HydrophobicContact CE-CZ3 3.53Å; T603-W763 HydrophobicContact CG2-CB 4.5Å; T603-W763 VanDerWaalsContact CG2-CD1 3.45Å; T603-W763 HydrophobicContact CG2-CG 4.14Å; F606-W763 HydrophobicContact CB-CD2 4.11Å; F606-W763 VanDerWaalsContact CB-CE2 3.45Å; F606-W763 HydrophobicContact CB-CH2 3.83Å; F606-W763 HydrophobicContact CB-CZ2 3.36Å; F606-W763 HydrophobicContact CB-CZ3 4.39Å; F606-W763 HydrophobicContact CD1-CH2 4.37Å; F606-W763 HydrophobicContact CG-CH2 4.42Å; F606-W763 HydrophobicContact CG-CZ2 4.38Å; F606-W763 WeakPolarHBondContact O-CZ2 3.4Å; F606-W763 PolarHBondContact O-NE1 2.96Å; W623-W763 AromaticContact CH2-CH2 3.4Å; W623-W763 HydrophobicContact CH2-CH2 3.4Å; W623-W763 VanDerWaalsContact CH2-CH2 3.4Å; W623-W763 AromaticContact CH2-CZ2 3.67Å; W623-W763 HydrophobicContact CH2-CZ2 3.67Å; W623-W763 AromaticContact CZ2-CH2 3.64Å; W623-W763 HydrophobicContact CZ2-CH2 3.64Å; W623-W763 HydrophobicContact CZ2-CZ2 4.12Å; F631-W763 AromaticContact CD2-CZ2 3.95Å; F631-W763 HydrophobicContact CD2-CZ2 3.95Å; F631-W763 AromaticContact CE2-CZ2 3.63Å; F631-W763 HydrophobicContact CE2-CZ2 3.63Å; I662-W763 VanDerWaalsContact CG2-CD1 3.49Å; K669-W763 VanDerWaalsContact CD-O 3.26Å; K669-W763 WeakPolarHBondContact CD-O 3.31Å; K669-W763 PolarHBondContact NZ-O 2.89Å; K669-W763 PolarHBondContact NZ-OXT 3.04Å

Retrieved 763 of 763 residues in 1497.4 ms (Link to these results)

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