A0A5K4F957_SCHMA Loading...

Ribosome biogenesis regulatory protein

AlphaFold DB , UniProt , Accession A0A5K4F957, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 713 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	34.8	Very low	33.1	Very low	246 Å²	246	171.3 Å²	171.3	100%	1.212	83%	0.83	S	S	*	*				0	133.5	0	-79.2	168.3	129.7	0	0	107.9
2	S	36	Very low	33	Very low	128 Å²	128	169.1 Å²	169.1	90%	0.895	84%	0.835	S	S	*	*			trans	60	109.5	-172	-160	0	0	0	0	118.5
3	K	34.5	Very low	32.6	Very low	185 Å²	185	169.8 Å²	169.8	80%	0.804	84%	0.835	S	S	*	*			trans	-97.3	159.3	-179.6	-71.7	171.2	175.6	172.9	0	108.3
4	K	35	Very low	32.6	Very low	172 Å²	172	176.1 Å²	176.1	75%	0.748	85%	0.845	S	S	*	*			cis	-175.4	129.6	1.6	-114.7	-179.5	178.4	-171.6	0	107.8
5	S	34.8	Very low	32.4	Very low	93 Å²	93	172.2 Å²	172.2	65%	0.65	84%	0.836	S	S	*	*				57.2	148.8	128.3	77.5	0	0	0	0	122.5
6	H	31.9	Very low	32.3	Very low	178 Å²	178	168.5 Å²	168.5	82%	0.824	83%	0.827	S	S	*	*			cis	177.5	164.1	-15	-108.8	5.5	0	0	0	107.1
7	R	33.4	Very low	32.1	Very low	239 Å²	239	171.6 Å²	171.6	90%	0.902	84%	0.836	S	S	*	*			trans	106.7	102.8	164.3	-64.5	177.6	170.5	-175	-3.3	113.4
8	H	30.2	Very low	32	Very low	177 Å²	177	171.6 Å²	171.6	82%	0.819	83%	0.834	S	S	*	*				61.8	106.8	58.1	-85.7	-36.3	0	0	0	116.2
9	H	34.3	Very low	32	Very low	154 Å²	154	173.2 Å²	173.2	71%	0.713	84%	0.836	S	S	*	*				167.2	113.4	120.6	-97.1	-65.8	0	0	0	108.9
10	Q	31.5	Very low	31.9	Very low	164 Å²	164	172.9 Å²	172.9	77%	0.766	84%	0.838	S	S	*	*				90.1	114.5	91.3	-96.9	-178	-11.4	0	0	115.4
11	N	27.5	Very low	31.9	Very low	148 Å²	148	172.2 Å²	172.2	79%	0.791	84%	0.838	S	S	*	*			trans	15.9	131.8	143.5	-66.7	-8	0	0	0	120.2
12	T	32.3	Very low	31.8	Very low	145 Å²	145	166.5 Å²	166.5	89%	0.89	82%	0.817	S	S	*	*				-177.1	141.8	106.5	19.8	0	0	0	0	113
13	E	28	Very low	31.5	Very low	179 Å²	179	170.4 Å²	170.4	84%	0.836	82%	0.818	S	S	*	*			trans	-59.7	148.7	170	-61.5	167.6	139.3	0	0	112.3
14	R	32.1	Very low	31.3	Very low	258 Å²	258	165.5 Å²	165.5	97%	0.974	82%	0.819	S	S	*	*			trans	-128.9	106.6	161.5	-98.6	-176.4	174.7	177	-1.3	110.6
15	T	30	Very low	31	Very low	117 Å²	117	166.7 Å²	166.7	72%	0.718	83%	0.825	S	S	*	*			trans	-85.2	155.9	173	38.3	0	0	0	0	112.9
16	T	30.2	Very low	30.7	Very low	113 Å²	113	167.1 Å²	167.1	69%	0.693	83%	0.827	S	S	*	*			trans	74.8	119.5	144.2	31.7	0	0	0	0	122.2
17	F	29.9	Very low	30.6	Very low	222 Å²	222	167.3 Å²	167.3	97%	0.974	83%	0.828	S	S	*	*			trans	-138.7	79.6	134.3	-119.3	-90.5	0	0	0	109.7
18	Q	30.5	Very low	30.4	Very low	171 Å²	171	165.7 Å²	165.7	80%	0.799	83%	0.828	S	S	*	*			trans	-147.2	130.4	165	-101.6	-174.2	-8.1	0	0	107.9
19	K	30.7	Very low	30.5	Very low	202 Å²	202	162.4 Å²	162.4	88%	0.878	83%	0.825	S	S	*	*			trans	78.4	107	171.5	-64.2	176.2	176.8	167.8	0	118.9
20	L	29.9	Very low	30.4	Very low	167 Å²	167	162.3 Å²	162.3	87%	0.874	83%	0.829	S	S	*	*			trans	-149	111.3	138.6	-88.4	157.4	0	0	0	104.5
21	L	31.6	Very low	30.1	Very low	158 Å²	158	159.9 Å²	159.9	83%	0.827	83%	0.826	S	S	*	*	S	Bend		-158.4	116.6	95.3	-86.9	153	0	0	0	111.4
22	T	33.2	Very low	30.2	Very low	126 Å²	126	162.3 Å²	162.3	77%	0.773	83%	0.83	S	S	*	*			trans	53.2	102.7	140.2	57.2	0	0	0	0	121
23	K	29	Very low	29.9	Very low	211 Å²	211	162 Å²	162	92%	0.917	82%	0.821	S	S	*	*			trans	-79.3	121.2	148.1	-87.2	177.3	174	172.6	0	109.4
24	G	30.7	Very low	30.1	Very low	81 Å²	81	161.2 Å²	161.2	84%	0.835	82%	0.821	S	S	*	*			trans	-118	118.4	158.5	0	0	0	0	0	109.3
25	K	28.8	Very low	29.7	Very low	198 Å²	198	154.5 Å²	154.5	86%	0.861	81%	0.809	S	S	*	*			trans	-96.1	157.3	173.1	-89.6	-177.2	173.1	-178.3	0	109.9
26	S	28.6	Very low	29.7	Very low	101 Å²	101	156 Å²	156	71%	0.706	81%	0.81	S	S	*	*			trans	74.5	111.5	160.8	71.3	0	0	0	0	119.4
27	H	30.9	Very low	29.7	Very low	183 Å²	183	159 Å²	159	85%	0.847	82%	0.817	S	S	*	*				-172.1	133.5	94.6	-104.3	-64.3	0	0	0	112.1
28	K	29.4	Very low	29.5	Very low	204 Å²	204	156.6 Å²	156.6	89%	0.887	81%	0.809	S	S	*	*			trans	-88.9	130.9	159.2	-86.3	179.1	171.5	179.1	0	107.9
29	S	32.3	Very low	29.5	Very low	109 Å²	109	154.1 Å²	154.1	76%	0.762	81%	0.808	S	S	*	*			trans	-175.9	112.2	142.4	53.6	0	0	0	0	112.8
30	N	30.5	Very low	29.5	Very low	151 Å²	151	150.9 Å²	150.9	81%	0.807	80%	0.8	S	S	*	*			trans	39.8	114.9	133.6	-68.9	-3.9	0	0	0	123.1
31	T	25.9	Very low	29.6	Very low	113 Å²	113	150.8 Å²	150.8	69%	0.693	80%	0.8	S	S	*	*				61.6	117.5	117.1	-23	0	0	0	0	121.4
32	K	30.3	Very low	29.5	Very low	200 Å²	200	148 Å²	148	87%	0.87	79%	0.794	S	S	*	*			trans	-179.7	97.3	133.6	-101.4	173.4	-179.3	-177.6	0	109.1
33	I	26.3	Very low	29.6	Very low	138 Å²	138	149.3 Å²	149.3	71%	0.708	80%	0.796	S	S	*	*				34.7	106.6	103.4	-52	177.7	0	0	0	114.5
34	I	31.1	Very low	29.8	Very low	163 Å²	163	146.8 Å²	146.8	84%	0.836	79%	0.791	S	S	*	*			trans	-140.6	120.4	137.7	-60.3	-175.2	0	0	0	108.1
35	T	23.6	Very low	29.8	Very low	117 Å²	117	150.3 Å²	150.3	72%	0.718	79%	0.791	S	S	*	*			trans	-91.9	139.1	173.7	-42.9	0	0	0	0	108.7
36	I	30.6	Very low	30.1	Very low	147 Å²	147	149.5 Å²	149.5	75%	0.754	79%	0.79	S	S	*	*			trans	-155.2	109.3	147.3	-85.2	130.8	0	0	0	109.3
37	Q	30.4	Very low	30.4	Very low	178 Å²	178	153.5 Å²	153.5	83%	0.832	80%	0.795	S	S	*	*			trans	43.8	124.2	138.1	-61.5	173.3	-27.5	0	0	123.2
38	Q	24.1	Very low	30.7	Very low	170 Å²	170	150.3 Å²	150.3	79%	0.794	79%	0.788	S	S	*	*			trans	-70.2	168.6	158.6	-62.7	177	-47.8	0	0	111.9
39	P	32.4	Very low	31.1	Very low	120 Å²	120	148.9 Å²	148.9	78%	0.779	78%	0.782	S	S	*	*				-142.4	141.4	94.4	34.1	-17.3	0	0	0	115.9
40	N	29.5	Very low	31.2	Very low	134 Å²	134	150.3 Å²	150.3	72%	0.717	78%	0.777	S	S	*	*			trans	25.9	116.9	141.4	-61.7	-15.4	0	0	0	119.6
41	N	33.1	Very low	31.4	Very low	165 Å²	165	150.4 Å²	150.4	88%	0.882	77%	0.773	S	S	*	*				-151.2	124.4	124.5	-101.8	-18.4	0	0	0	110.6
42	S	29.6	Very low	32.1	Very low	99 Å²	99	153.2 Å²	153.2	69%	0.692	78%	0.775	S	S	*	*			trans	-59.9	129.5	167.3	44.8	0	0	0	0	110.9
43	D	33.4	Very low	32.3	Very low	154 Å²	154	150.6 Å²	150.6	82%	0.824	76%	0.764	S	S	*	*			trans	155	57.4	148	-81.3	-16.9	0	0	0	112.2
44	I	34	Very low	32.8	Very low	157 Å²	157	148.5 Å²	148.5	81%	0.805	76%	0.757	S	S	*	*			trans	-142.1	71.6	167.8	-50.3	177.1	0	0	0	109.1
45	N	30.5	Very low	33.1	Very low	156 Å²	156	148.2 Å²	148.2	83%	0.834	75%	0.75	S	S	*	*	S	Bend	trans	-148.4	60.2	164.6	-96.9	-25.1	0	0	0	110.2
46	Q	34.9	Very low	33.9	Very low	181 Å²	181	147 Å²	147	85%	0.846	74%	0.742	S	S	*	*	S	Bend	trans	-150.3	0.9	166.5	-111.5	173.7	9.2	0	0	115.2
47	K	35.9	Very low	34.2	Very low	185 Å²	185	145.1 Å²	145.1	80%	0.804	73%	0.732	S	S	*	*	S	Bend	trans	-96	-1.2	-176.4	-86.2	-177.3	174.3	177.8	0	116.6
48	T	36.9	Very low	34.4	Very low	115 Å²	115	139.5 Å²	139.5	71%	0.706	71%	0.713	S	S	*	*	S	Bend	trans	-101.2	0.9	-176.8	10.8	0	0	0	0	115.1
49	F	37.5	Very low	35.1	Very low	175 Å²	175	141 Å²	141	77%	0.768	71%	0.711	S	S	*	*	S	Bend	trans	-103.9	-13.4	178.8	-132.6	-96.3	0	0	0	114.7
50	E	35.3	Very low	35.4	Very low	139 Å²	139	142.8 Å²	142.8	65%	0.65	71%	0.707	S	S	*	*	H	α-helix	trans	-83.8	-31.4	179.8	-71.4	-132.6	136.2	0	0	114.1	K52 K53 V54	E50-K52 PolarHBondContact O-N 3.41Å; E50-K53 PolarHBondContact O-N 3Å; E50-K53 VanDerWaalsContact O-N 3.08Å; E50-V54 WeakPolarHBondContact O-CG2 3.2Å; E50-V54 PolarHBondContact O-N 2.94Å; E50-V54 VanDerWaalsContact O-N 3.09Å
51	Q	35.1	Very low	35.6	Very low	153 Å²	153	143.3 Å²	143.3	72%	0.715	70%	0.703	S	S	*	*	H	α-helix	trans	-66.5	-23	-179.7	-74.8	-179	-14.3	0	0	113.9
52	K	38.7	Very low	35.8	Very low	172 Å²	172	141.9 Å²	141.9	75%	0.748	69%	0.691	S	S	*	*	H	α-helix	trans	-81.1	-28.6	172.5	-79.3	-176.1	177.9	177.4	0	113.2	E50 V56	E50-K52 PolarHBondContact O-N 3.41Å; K52-V56 WeakPolarHBondContact O-CG2 3.08Å
53	K	35.9	Very low	36.2	Very low	144 Å²	144	144.5 Å²	144.5	63%	0.626	69%	0.687	S	S	*	*	H	α-helix	trans	-74.9	-37.3	174.5	-95.6	-177.2	174.9	178.7	0	112.1	E50 K55 V56 I57	E50-K53 PolarHBondContact O-N 3Å; E50-K53 VanDerWaalsContact O-N 3.08Å; K53-K55 VanDerWaalsContact C-N 3.33Å; K53-K55 PolarHBondContact O-N 3.47Å; K53-V56 PolarHBondContact O-N 2.93Å; K53-I57 WeakPolarHBondContact O-CG1 3.15Å; K53-I57 PolarHBondContact O-N 3.31Å
54	V	36.2	Very low	36.8	Very low	94 Å²	94	141.9 Å²	141.9	57%	0.57	67%	0.671	S	S	*	*	H	α-helix	trans	-63.3	-37.8	177.2	177.2	0	0	0	0	111.8	E50 V56 I57 S58	E50-V54 WeakPolarHBondContact O-CG2 3.2Å; E50-V54 PolarHBondContact O-N 2.94Å; E50-V54 VanDerWaalsContact O-N 3.09Å; V54-V56 VanDerWaalsContact C-N 3.34Å; V54-V56 PolarHBondContact O-N 2.76Å; V54-I57 PolarHBondContact O-N 3.3Å; V54-S58 PolarHBondContact O-N 3.3Å
55	K	37.9	Very low	37.2	Very low	158 Å²	158	140.5 Å²	140.5	69%	0.687	66%	0.663	S	S	*	*	H	α-helix	trans	-67.4	-26.6	174.9	-103.3	-179.9	176.5	176.7	0	114.6	K53 S58	K53-K55 VanDerWaalsContact C-N 3.33Å; K53-K55 PolarHBondContact O-N 3.47Å; K55-S58 PolarHBondContact O-OG 2.7Å
56	V	41	Very low	38	Very low	91 Å²	91	137.3 Å²	137.3	55%	0.552	65%	0.646	S	S	*	*	H	α-helix	trans	-85.8	-34.1	177.9	176.8	0	0	0	0	111.1	K52 K53 V54 K60	K52-V56 WeakPolarHBondContact O-CG2 3.08Å; K53-V56 PolarHBondContact O-N 2.93Å; V54-V56 VanDerWaalsContact C-N 3.34Å; V54-V56 PolarHBondContact O-N 2.76Å; V56-K60 PolarHBondContact O-N 2.64Å
57	I	36.3	Very low	38.7	Very low	107 Å²	107	135.3 Å²	135.3	55%	0.549	63%	0.634	S	S	.	*	H	α-helix	trans	-70.9	-39.6	175.8	-65.1	167.1	0	0	0	110.6	K53 V54 R59 K60 F61	K53-I57 WeakPolarHBondContact O-CG1 3.15Å; K53-I57 PolarHBondContact O-N 3.31Å; V54-I57 PolarHBondContact O-N 3.3Å; I57-R59 VanDerWaalsContact C-N 3.33Å; I57-R59 PolarHBondContact O-N 2.85Å; I57-K60 PolarHBondContact O-N 2.87Å; I57-F61 PolarHBondContact O-N 3.22Å
58	S	33.9	Very low	39.4	Very low	61 Å²	61	135.9 Å²	135.9	43%	0.427	63%	0.632	S	S	.	*	H	α-helix	trans	-63.6	-36.5	176.6	81.9	0	0	0	0	112.8	V54 K55 F61 H62	V54-S58 PolarHBondContact O-N 3.3Å; K55-S58 PolarHBondContact O-OG 2.7Å; S58-F61 PolarHBondContact O-N 3Å; S58-H62 WeakPolarHBondContact O-CB 3.49Å; S58-H62 PolarHBondContact O-N 3.05Å
59	R	38.9	Very low	40	Very low	202 Å²	202	136.8 Å²	136.8	76%	0.762	63%	0.626	S	S	*	*	H	α-helix	trans	-65.4	-39.5	175.1	-78.9	-178.6	173.6	-174.6	-2.1	113	I57 Y63	I57-R59 VanDerWaalsContact C-N 3.33Å; I57-R59 PolarHBondContact O-N 2.85Å; R59-Y63 PolarHBondContact O-N 3.18Å
60	K	38.8	Very low	40.6	Very low	157 Å²	157	133.4 Å²	133.4	68%	0.683	62%	0.615	S	S	*	*	H	α-helix	trans	-70.9	-37.1	174.5	-87.3	-175.1	169.2	-179.3	0	112.1	V56 I57 Y63 I64	V56-K60 PolarHBondContact O-N 2.64Å; I57-K60 PolarHBondContact O-N 2.87Å; K60-Y63 PolarHBondContact O-N 2.91Å; K60-I64 WeakPolarHBondContact O-CG1 3.24Å; K60-I64 PolarHBondContact O-N 3.39Å
61	F	34.3	Very low	41.6	Very low	144 Å²	144	132.1 Å²	132.1	63%	0.632	61%	0.612	S	S	*	*	H	α-helix	trans	-68	-41.9	177.1	-128.6	-92.3	0	0	0	112.1	I57 S58 Y63 I64 M65	I57-F61 PolarHBondContact O-N 3.22Å; S58-F61 PolarHBondContact O-N 3Å; F61-Y63 VanDerWaalsContact C-N 3.33Å; F61-Y63 PolarHBondContact O-N 3.31Å; F61-I64 PolarHBondContact O-N 3.02Å; F61-M65 HydrophobicContact CD1-CG 4.39Å; F61-M65 WeakPolarHBondContact O-CB 3.34Å; F61-M65 WeakPolarHBondContact O-CG 3.43Å; F61-M65 PolarHBondContact O-N 3.42Å
62	H	37.4	Very low	42.7	Very low	135 Å²	135	127.1 Å²	127.1	63%	0.625	59%	0.594	S	S	*	*	H	α-helix	trans	-61.3	-38.8	174	-110.4	61.5	0	0	0	112.5	S58 N66	S58-H62 WeakPolarHBondContact O-CB 3.49Å; S58-H62 PolarHBondContact O-N 3.05Å; H62-N66 WeakPolarHBondContact O-CB 3.37Å; H62-N66 PolarHBondContact O-N 2.81Å
63	Y	38	Very low	43.4	Very low	155 Å²	155	121.5 Å²	121.5	61%	0.608	58%	0.576	S	S	*	*	H	α-helix	trans	-68	-36.5	178.7	-170	-97.5	0	0	0	112.8	R59 K60 F61 K67	R59-Y63 PolarHBondContact O-N 3.18Å; K60-Y63 PolarHBondContact O-N 2.91Å; F61-Y63 VanDerWaalsContact C-N 3.33Å; F61-Y63 PolarHBondContact O-N 3.31Å; Y63-K67 PolarHBondContact O-N 2.69Å
64	I	44.8	Very low	44.7	Very low	99 Å²	99	119.9 Å²	119.9	51%	0.508	57%	0.574	S	S	.	*	H	α-helix	trans	-74.9	-40.1	177.5	-64.8	168.4	0	0	0	111	K60 F61 K67 R68	K60-I64 WeakPolarHBondContact O-CG1 3.24Å; K60-I64 PolarHBondContact O-N 3.39Å; F61-I64 PolarHBondContact O-N 3.02Å; I64-K67 PolarHBondContact O-N 3.09Å; I64-R68 PolarHBondContact O-N 3.23Å
65	M	42.6	Very low	46.1	Very low	127 Å²	127	120.1 Å²	120.1	63%	0.626	57%	0.571	S	S	*	*	H	α-helix	trans	-60.9	-43.6	173.5	-79.5	-93.4	-82.6	0	0	111.3	F61 K67 R68 F69	F61-M65 HydrophobicContact CD1-CG 4.39Å; F61-M65 WeakPolarHBondContact O-CB 3.34Å; F61-M65 WeakPolarHBondContact O-CG 3.43Å; F61-M65 PolarHBondContact O-N 3.42Å; M65-K67 VanDerWaalsContact C-N 3.34Å; M65-K67 PolarHBondContact O-N 3.34Å; M65-R68 PolarHBondContact O-N 2.94Å; M65-F69 WeakPolarHBondContact O-CB 3.5Å; M65-F69 PolarHBondContact O-N 3.48Å
66	N	48.1	Very low	47.6	Very low	89 Å²	89	118.2 Å²	118.2	48%	0.476	57%	0.567	S	S	.	*	H	α-helix	trans	-59.6	-39.8	177.8	-103.8	-28.2	0	0	0	113	H62 L70	H62-N66 WeakPolarHBondContact O-CB 3.37Å; H62-N66 PolarHBondContact O-N 2.81Å; N66-L70 WeakPolarHBondContact O-CB 3.36Å; N66-L70 WeakPolarHBondContact O-CD1 3.49Å; N66-L70 PolarHBondContact O-N 2.96Å
67	K	49.7	Very low	48.7	Very low	139 Å²	139	119.4 Å²	119.4	60%	0.604	57%	0.57	S	S	*	*	H	α-helix	trans	-69.5	-42.1	178	-87.7	-169.9	175.6	-174.6	0	113.3	Y63 I64 M65 L71	Y63-K67 PolarHBondContact O-N 2.69Å; I64-K67 PolarHBondContact O-N 3.09Å; M65-K67 VanDerWaalsContact C-N 3.34Å; M65-K67 PolarHBondContact O-N 3.34Å; K67-L71 PolarHBondContact O-N 3.44Å; K67-L71 VanDerWaalsContact O-N 3.16Å
68	R	49.5	Very low	50.4	Low	198 Å²	198	121.1 Å²	121.1	75%	0.747	57%	0.573	S	S	*	*	H	α-helix	trans	-69.9	-38.2	177.7	-76.5	-174.8	168	-175.7	-3.7	111.5	I64 M65 L71 S72	I64-R68 PolarHBondContact O-N 3.23Å; M65-R68 PolarHBondContact O-N 2.94Å; R68-L71 PolarHBondContact O-N 3.02Å; R68-S72 PolarHBondContact O-N 3.48Å; R68-S72 PolarHBondContact O-OG 3.21Å
69	F	50	Low	52.2	Low	134 Å²	134	124.7 Å²	124.7	59%	0.588	58%	0.582	S	S	*	*	H	α-helix	trans	-65.9	-44.4	176	-171.4	-102.5	0	0	0	112.2	M65 L71 S72 C73	M65-F69 WeakPolarHBondContact O-CB 3.5Å; M65-F69 PolarHBondContact O-N 3.48Å; F69-L71 VanDerWaalsContact C-N 3.29Å; F69-L71 PolarHBondContact O-N 2.93Å; F69-S72 WeakPolarHBondContact CA-OG 3.46Å; F69-S72 PolarHBondContact O-N 3.32Å; F69-S72 PolarHBondContact O-OG 3.46Å; F69-C73 WeakPolarHBondContact O-CB 3.49Å; F69-C73 PolarHBondContact O-N 3.4Å; F69-C73 PolarHBondContact O-SG 3.23Å
70	L	49.6	Very low	53.6	Low	103 Å²	103	120.8 Å²	120.8	54%	0.539	57%	0.568	S	S	.	*	H	α-helix	trans	-60.4	-37.9	173.1	-100.7	117.3	0	0	0	112.3	N66 C73 L74	N66-L70 WeakPolarHBondContact O-CB 3.36Å; N66-L70 WeakPolarHBondContact O-CD1 3.49Å; N66-L70 PolarHBondContact O-N 2.96Å; L70-C73 PolarHBondContact O-N 3.05Å; L70-L74 WeakPolarHBondContact O-CB 3.44Å; L70-L74 PolarHBondContact O-N 3.4Å
71	L	57.8	Low	55	Low	113 Å²	113	118.2 Å²	118.2	59%	0.592	56%	0.561	S	S	*	*	H	α-helix	trans	-69.1	-39	178.1	-157.1	75.8	0	0	0	111.8	K67 R68 F69 L74 L75	K67-L71 PolarHBondContact O-N 3.44Å; K67-L71 VanDerWaalsContact O-N 3.16Å; R68-L71 PolarHBondContact O-N 3.02Å; F69-L71 VanDerWaalsContact C-N 3.29Å; F69-L71 PolarHBondContact O-N 2.93Å; L71-L74 PolarHBondContact O-N 2.98Å; L71-L75 PolarHBondContact O-N 3.16Å; L71-L75 VanDerWaalsContact O-N 3.11Å
72	S	56.5	Low	56.5	Low	48 Å²	48	113.5 Å²	113.5	34%	0.336	55%	0.546	S	S	.	.	H	α-helix	trans	-66.9	-39	172.7	50.7	0	0	0	0	112.4	R68 F69 L74 L75 I76	R68-S72 PolarHBondContact O-N 3.48Å; R68-S72 PolarHBondContact O-OG 3.21Å; F69-S72 WeakPolarHBondContact CA-OG 3.46Å; F69-S72 PolarHBondContact O-N 3.32Å; F69-S72 PolarHBondContact O-OG 3.46Å; S72-L74 PolarHBondContact O-N 3.49Å; S72-L75 PolarHBondContact O-N 2.78Å; S72-I76 WeakPolarHBondContact O-CD1 3.19Å; S72-I76 VanDerWaalsContact O-CG1 3.25Å; S72-I76 WeakPolarHBondContact O-CG1 3.15Å; S72-I76 PolarHBondContact O-N 3.21Å
73	C	53.7	Low	58	Low	53 Å²	53	111.3 Å²	111.3	36%	0.358	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-40	175.7	-69.6	0	0	0	0	111.8	F69 L70 I76 L77	F69-C73 WeakPolarHBondContact O-CB 3.49Å; F69-C73 PolarHBondContact O-N 3.4Å; F69-C73 PolarHBondContact O-SG 3.23Å; L70-C73 PolarHBondContact O-N 3.05Å; C73-I76 PolarHBondContact O-N 3.48Å; C73-L77 WeakPolarHBondContact O-CB 3.44Å; C73-L77 PolarHBondContact O-N 3.3Å
74	L	63.9	Low	59.1	Low	111 Å²	111	107.4 Å²	107.4	58%	0.581	53%	0.529	S	S	*	.	H	α-helix	trans	-63.5	-41	175.1	-89.9	154.7	0	0	0	112.5	L70 L71 S72 L77 F78	L70-L74 WeakPolarHBondContact O-CB 3.44Å; L70-L74 PolarHBondContact O-N 3.4Å; L71-L74 PolarHBondContact O-N 2.98Å; S72-L74 PolarHBondContact O-N 3.49Å; L74-L77 PolarHBondContact O-N 2.97Å; L74-F78 WeakPolarHBondContact O-CB 3.4Å; L74-F78 PolarHBondContact O-N 3.48Å
75	L	66.4	Low	59.7	Low	98 Å²	98	107.6 Å²	107.6	51%	0.513	53%	0.531	S	S	.	.	H	α-helix	trans	-65.7	-43.6	175.8	-83.8	157.5	0	0	0	111.9	L71 S72 F78 F79	L71-L75 PolarHBondContact O-N 3.16Å; L71-L75 VanDerWaalsContact O-N 3.11Å; S72-L75 PolarHBondContact O-N 2.78Å; L75-F78 PolarHBondContact O-N 3.48Å; L75-F79 WeakPolarHBondContact O-CD2 3.4Å; L75-F79 PolarHBondContact O-N 3.04Å
76	I	69	Low	60.5	Low	118 Å²	118	106.1 Å²	106.1	61%	0.605	52%	0.524	S	S	*	.	H	α-helix	trans	-64.3	-41	176.8	-66.7	164.3	0	0	0	110.7	S72 C73 F78 F79 Y80	S72-I76 WeakPolarHBondContact O-CD1 3.19Å; S72-I76 VanDerWaalsContact O-CG1 3.25Å; S72-I76 WeakPolarHBondContact O-CG1 3.15Å; S72-I76 PolarHBondContact O-N 3.21Å; C73-I76 PolarHBondContact O-N 3.48Å; I76-F78 VanDerWaalsContact C-N 3.32Å; I76-F78 PolarHBondContact O-N 3.32Å; I76-F79 PolarHBondContact O-N 3.42Å; I76-Y80 WeakPolarHBondContact O-CB 3.32Å; I76-Y80 PolarHBondContact O-N 3.2Å
77	L	63	Low	60.5	Low	116 Å²	116	108.4 Å²	108.4	61%	0.607	53%	0.53	S	S	*	.	H	α-helix	trans	-63.2	-39.4	176	-140.5	92.1	0	0	0	111.6	C73 L74 Y80 L81	C73-L77 WeakPolarHBondContact O-CB 3.44Å; C73-L77 PolarHBondContact O-N 3.3Å; L74-L77 PolarHBondContact O-N 2.97Å; L77-Y80 PolarHBondContact O-N 3.09Å; L77-L81 PolarHBondContact O-N 3.08Å
78	F	73.2	Confident	60.2	Low	143 Å²	143	105.1 Å²	105.1	63%	0.627	53%	0.525	S	S	*	.	H	α-helix	trans	-66.4	-45.1	177.8	-164.6	-94.5	0	0	0	111.5	L74 L75 I76 Y80 L81 C82	L74-F78 WeakPolarHBondContact O-CB 3.4Å; L74-F78 PolarHBondContact O-N 3.48Å; L75-F78 PolarHBondContact O-N 3.48Å; I76-F78 VanDerWaalsContact C-N 3.32Å; I76-F78 PolarHBondContact O-N 3.32Å; F78-Y80 PolarHBondContact O-N 2.9Å; F78-L81 PolarHBondContact O-N 2.98Å; F78-C82 PolarHBondContact O-N 2.92Å; F78-C82 PolarHBondContact O-SG 2.86Å
79	F	71.2	Confident	60	Low	137 Å²	137	100.8 Å²	100.8	60%	0.601	52%	0.52	S	S	*	.	H	α-helix	trans	-63	-40.5	174.4	-90.9	-78.5	0	0	0	112.3	L75 I76 C82 I83	L75-F79 WeakPolarHBondContact O-CD2 3.4Å; L75-F79 PolarHBondContact O-N 3.04Å; I76-F79 PolarHBondContact O-N 3.42Å; F79-C82 PolarHBondContact O-N 3.42Å; F79-I83 VanDerWaalsContact O-CG1 3.29Å; F79-I83 WeakPolarHBondContact O-CG1 3.39Å; F79-I83 PolarHBondContact O-N 3.43Å
80	Y	68.9	Low	59.7	Low	120 Å²	120	99.9 Å²	99.9	47%	0.471	52%	0.521	S	S	.	.	H	α-helix	trans	-64.2	-42.7	176	-166.8	-97.3	0	0	0	111.6	I76 L77 F78 C82 I83 V84 R341	I76-Y80 WeakPolarHBondContact O-CB 3.32Å; I76-Y80 PolarHBondContact O-N 3.2Å; L77-Y80 PolarHBondContact O-N 3.09Å; F78-Y80 PolarHBondContact O-N 2.9Å; Y80-C82 VanDerWaalsContact C-N 3.34Å; Y80-C82 PolarHBondContact O-N 3.25Å; Y80-I83 PolarHBondContact O-N 3.08Å; Y80-V84 HydrophobicContact CD1-CG2 3.93Å; Y80-V84 HydrophobicContact CE1-CG2 3.69Å; Y80-V84 VanDerWaalsContact O-CG2 3.32Å; Y80-V84 WeakPolarHBondContact O-CG2 3.46Å; Y80-V84 PolarHBondContact O-N 3.01Å; Y80-R341 PolarHBondContact OH-NH1 2.89Å; Y80-R341 VanDerWaalsContact OH-NH1 3.13Å
81	L	66.9	Low	59	Low	102 Å²	102	101.7 Å²	101.7	53%	0.534	53%	0.53	S	S	.	.	H	α-helix	trans	-61.4	-42.2	174.4	-122.6	94	0	0	0	111.7	L77 F78 V84 L85	L77-L81 PolarHBondContact O-N 3.08Å; F78-L81 PolarHBondContact O-N 2.98Å; L81-V84 PolarHBondContact O-N 2.93Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 VanDerWaalsContact O-CG 3.24Å; L81-L85 WeakPolarHBondContact O-CG 3.33Å; L81-L85 PolarHBondContact O-N 3.26Å
82	C	65.9	Low	57.9	Low	46 Å²	46	104.8 Å²	104.8	31%	0.311	54%	0.541	S	S	.	.	H	α-helix	trans	-62.2	-42.5	175.5	-70.3	0	0	0	0	111.9	F78 F79 Y80 L85 I86	F78-C82 PolarHBondContact O-N 2.92Å; F78-C82 PolarHBondContact O-SG 2.86Å; F79-C82 PolarHBondContact O-N 3.42Å; Y80-C82 VanDerWaalsContact C-N 3.34Å; Y80-C82 PolarHBondContact O-N 3.25Å; C82-L85 PolarHBondContact O-N 3.39Å; C82-I86 WeakPolarHBondContact O-CB 3.38Å; C82-I86 WeakPolarHBondContact O-CD1 3.34Å; C82-I86 WeakPolarHBondContact O-CG1 3.38Å; C82-I86 PolarHBondContact O-N 3.02Å
83	I	68.4	Low	56.6	Low	89 Å²	89	109.1 Å²	109.1	46%	0.456	56%	0.561	S	S	.	*	H	α-helix	trans	-67.5	-40.6	178.5	-67.9	165.2	0	0	0	111.4	F79 Y80 I86 K87	F79-I83 VanDerWaalsContact O-CG1 3.29Å; F79-I83 WeakPolarHBondContact O-CG1 3.39Å; F79-I83 PolarHBondContact O-N 3.43Å; Y80-I83 PolarHBondContact O-N 3.08Å; I83-I86 PolarHBondContact O-N 3.3Å; I83-K87 HydrophobicContact CG2-CD 4.48Å; I83-K87 WeakPolarHBondContact O-CB 3.48Å; I83-K87 PolarHBondContact O-N 3.14Å
84	V	62.4	Low	55.6	Low	72 Å²	72	115.5 Å²	115.5	44%	0.436	58%	0.583	S	S	.	*	H	α-helix	trans	-65.9	-41.8	176.6	171.7	0	0	0	0	111	Y80 L81 K87 S88	Y80-V84 HydrophobicContact CD1-CG2 3.93Å; Y80-V84 HydrophobicContact CE1-CG2 3.69Å; Y80-V84 VanDerWaalsContact O-CG2 3.32Å; Y80-V84 WeakPolarHBondContact O-CG2 3.46Å; Y80-V84 PolarHBondContact O-N 3.01Å; L81-V84 PolarHBondContact O-N 2.93Å; V84-K87 PolarHBondContact O-N 3.14Å; V84-S88 WeakPolarHBondContact O-CB 3.48Å; V84-S88 PolarHBondContact O-N 3.47Å
85	L	57.2	Low	54	Low	103 Å²	103	119.8 Å²	119.8	54%	0.539	60%	0.597	S	S	.	*	H	α-helix	trans	-63.5	-45.9	175.2	-73.3	167.3	0	0	0	111.2	L81 C82 K87 S88 T89	L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 VanDerWaalsContact O-CG 3.24Å; L81-L85 WeakPolarHBondContact O-CG 3.33Å; L81-L85 PolarHBondContact O-N 3.26Å; C82-L85 PolarHBondContact O-N 3.39Å; L85-K87 PolarHBondContact O-N 3.15Å; L85-S88 PolarHBondContact O-N 3.48Å; L85-S88 PolarHBondContact O-OG 3.36Å; L85-T89 PolarHBondContact O-N 3.39Å; L85-T89 PolarHBondContact O-OG1 3.34Å; L85-T89 VanDerWaalsContact O-OG1 3.07Å
86	I	59	Low	52.1	Low	96 Å²	96	122.2 Å²	122.2	49%	0.492	61%	0.611	S	S	.	*	H	α-helix	trans	-62.4	-42.8	177.1	-68.6	163.7	0	0	0	111.3	C82 I83 T89 I90	C82-I86 WeakPolarHBondContact O-CB 3.38Å; C82-I86 WeakPolarHBondContact O-CD1 3.34Å; C82-I86 WeakPolarHBondContact O-CG1 3.38Å; C82-I86 PolarHBondContact O-N 3.02Å; I83-I86 PolarHBondContact O-N 3.3Å; I86-T89 WeakPolarHBondContact CA-OG1 3.44Å; I86-T89 PolarHBondContact O-N 3.36Å; I86-T89 PolarHBondContact O-OG1 3.06Å; I86-I90 HydrophobicContact CG2-CD1 3.64Å; I86-I90 WeakPolarHBondContact O-CB 3.47Å; I86-I90 WeakPolarHBondContact O-CD1 3.4Å; I86-I90 VanDerWaalsContact O-CG1 3.23Å; I86-I90 WeakPolarHBondContact O-CG1 3.31Å; I86-I90 PolarHBondContact O-N 3.48Å
87	K	48.1	Very low	50.3	Low	137 Å²	137	124.4 Å²	124.4	60%	0.596	62%	0.618	S	S	*	*	H	α-helix	trans	-67.5	-36.2	175.4	-83.7	-172.8	173.1	-176.3	0	112.4	I83 V84 L85 T89 I90 L91	I83-K87 HydrophobicContact CG2-CD 4.48Å; I83-K87 WeakPolarHBondContact O-CB 3.48Å; I83-K87 PolarHBondContact O-N 3.14Å; V84-K87 PolarHBondContact O-N 3.14Å; L85-K87 PolarHBondContact O-N 3.15Å; K87-T89 VanDerWaalsContact C-N 3.3Å; K87-T89 PolarHBondContact O-N 2.91Å; K87-I90 PolarHBondContact O-N 3.16Å; K87-L91 PolarHBondContact O-N 3.27Å
88	S	44.4	Very low	48.8	Very low	71 Å²	71	125.2 Å²	125.2	50%	0.497	62%	0.623	S	S	.	*	H	α-helix	trans	-68.2	-30.4	176.2	82.5	0	0	0	0	112.5	V84 L85	V84-S88 WeakPolarHBondContact O-CB 3.48Å; V84-S88 PolarHBondContact O-N 3.47Å; L85-S88 PolarHBondContact O-N 3.48Å; L85-S88 PolarHBondContact O-OG 3.36Å
89	T	44.2	Very low	46.7	Very low	106 Å²	106	127.5 Å²	127.5	65%	0.65	64%	0.636	S	S	*	*	H	α-helix	trans	-81.4	-10.1	175.8	49.1	0	0	0	0	114.7	L85 I86 K87	L85-T89 PolarHBondContact O-N 3.39Å; L85-T89 PolarHBondContact O-OG1 3.34Å; L85-T89 VanDerWaalsContact O-OG1 3.07Å; I86-T89 WeakPolarHBondContact CA-OG1 3.44Å; I86-T89 PolarHBondContact O-N 3.36Å; I86-T89 PolarHBondContact O-OG1 3.06Å; K87-T89 VanDerWaalsContact C-N 3.3Å; K87-T89 PolarHBondContact O-N 2.91Å
90	I	43.9	Very low	44.8	Very low	116 Å²	116	128 Å²	128	60%	0.595	64%	0.644	S	S	*	*	H	α-helix	trans	-109.4	-13.7	-175.7	-67.6	171.7	0	0	0	112.2	I86 K87	I86-I90 HydrophobicContact CG2-CD1 3.64Å; I86-I90 WeakPolarHBondContact O-CB 3.47Å; I86-I90 WeakPolarHBondContact O-CD1 3.4Å; I86-I90 VanDerWaalsContact O-CG1 3.23Å; I86-I90 WeakPolarHBondContact O-CG1 3.31Å; I86-I90 PolarHBondContact O-N 3.48Å; K87-I90 PolarHBondContact O-N 3.16Å
91	L	35.8	Very low	43.1	Very low	140 Å²	140	131 Å²	131	73%	0.733	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	10.2	-175.7	-105.1	108.2	0	0	0	116.1	K87	K87-L91 PolarHBondContact O-N 3.27Å
92	E	33.3	Very low	41.7	Very low	178 Å²	178	130.8 Å²	130.8	83%	0.832	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-0.9	174.6	-81.8	-174.1	160.4	0	0	114.6
93	D	30.9	Very low	40.2	Very low	140 Å²	140	133.4 Å²	133.4	75%	0.749	68%	0.681	S	S	*	*	S	Bend	trans	-129.4	119.7	177.6	-85.6	-37.2	0	0	0	111.6
94	K	30.9	Very low	38.8	Very low	187 Å²	187	136.4 Å²	136.4	81%	0.813	69%	0.693	S	S	*	*			trans	98.7	103.9	172	-56.5	168.4	177.2	177	0	115.7
95	F	31.7	Very low	37.6	Very low	200 Å²	200	141.7 Å²	141.7	88%	0.877	71%	0.71	S	S	*	*				174.1	104.6	98.7	-101.5	-82.9	0	0	0	110.1
96	N	26.7	Very low	36.8	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	72%	0.716	S	S	*	*			trans	-108	125.4	159	-89.8	-19.2	0	0	0	106.6
97	H	31.3	Very low	35.7	Very low	163 Å²	163	141.5 Å²	141.5	76%	0.755	72%	0.715	S	S	*	*			trans	167	126.4	130.9	-97.6	-67.7	0	0	0	112.4
98	D	30.2	Very low	35.4	Very low	133 Å²	133	139.8 Å²	139.8	71%	0.711	71%	0.712	S	S	*	*			trans	51.5	115.8	136.7	-54.8	-14.7	0	0	0	121.1
99	E	29.8	Very low	35.4	Very low	192 Å²	192	140 Å²	140	90%	0.897	71%	0.714	S	S	*	*			trans	-167.8	95.7	132.2	-107.1	176.4	-164.3	0	0	109.4
100	N	30.6	Very low	35.3	Very low	146 Å²	146	138 Å²	138	78%	0.781	70%	0.699	S	S	*	*			trans	-148.9	81.8	173.9	-102.9	-19.9	0	0	0	109.6
101	E	34.3	Very low	35.3	Very low	185 Å²	185	140 Å²	140	86%	0.864	70%	0.7	S	S	*	*	S	Bend	trans	-152.6	-6	168	-124.6	177.3	-178	0	0	114.6
102	S	36	Very low	35.6	Very low	96 Å²	96	140 Å²	140	67%	0.671	70%	0.698	S	S	*	*	S	Bend	trans	-97.6	-21.5	178.9	50.8	0	0	0	0	114.2
103	N	36	Very low	36	Very low	102 Å²	102	135.5 Å²	135.5	55%	0.545	68%	0.683	S	S	.	*	H	α-helix	trans	-81.6	-21.6	-171.2	-75.3	-25.1	0	0	0	114.8	K105 S107	N103-K105 PolarHBondContact O-N 2.88Å; N103-S107 PolarHBondContact O-N 2.75Å
104	E	37.2	Very low	36.4	Very low	152 Å²	152	134.1 Å²	134.1	71%	0.71	68%	0.675	S	S	*	*	H	α-helix	trans	-74.2	-26.2	-177	-115.4	-177.5	170.8	0	0	113.9	N108	E104-N108 PolarHBondContact O-ND2 3.26Å
105	K	39.2	Very low	36.8	Very low	183 Å²	183	129 Å²	129	80%	0.796	66%	0.662	S	S	*	*	H	α-helix	trans	-79.8	-28.8	179.3	-81	179.1	177.5	170.5	0	113.4	N103 S109	N103-K105 PolarHBondContact O-N 2.88Å; K105-S109 PolarHBondContact O-N 3.29Å
106	L	39.1	Very low	37.2	Very low	126 Å²	126	123.4 Å²	123.4	66%	0.66	65%	0.648	S	S	*	*	H	α-helix	trans	-78.3	-39.7	-179.9	-143.9	81.2	0	0	0	111.5	S109 L110	L106-S109 PolarHBondContact O-N 3.26Å; L106-L110 PolarHBondContact O-N 2.98Å
107	S	37.2	Very low	37.8	Very low	68 Å²	68	122.4 Å²	122.4	48%	0.476	64%	0.643	S	S	.	*	H	α-helix	trans	-56.5	-50.7	174	168.1	0	0	0	0	112.2	N103 S109 L110 Y111	N103-S107 PolarHBondContact O-N 2.75Å; S107-S109 PolarHBondContact O-N 3.29Å; S107-L110 PolarHBondContact O-N 2.9Å; S107-Y111 PolarHBondContact O-N 2.7Å; S107-Y111 VanDerWaalsContact O-N 3.11Å
108	N	39.8	Very low	38	Very low	102 Å²	102	124 Å²	124	55%	0.545	64%	0.642	S	S	.	*	H	α-helix	trans	-68.7	-31	-176.8	-76.5	-42	0	0	0	113.7	E104	E104-N108 PolarHBondContact O-ND2 3.26Å
109	S	44.7	Very low	38	Very low	76 Å²	76	127.5 Å²	127.5	53%	0.531	65%	0.654	S	S	.	*	H	α-helix	trans	-73.6	-32.9	176.1	179.3	0	0	0	0	112.7	K105 L106 S107 T113	K105-S109 PolarHBondContact O-N 3.29Å; L106-S109 PolarHBondContact O-N 3.26Å; S107-S109 PolarHBondContact O-N 3.29Å; S109-T113 PolarHBondContact O-OG1 3.45Å; S109-T113 VanDerWaalsContact O-OG1 3.05Å
110	L	42.1	Very low	38.4	Very low	64 Å²	64	123.3 Å²	123.3	34%	0.335	64%	0.637	S	S	.	*	H	α-helix	trans	-74.9	-36.5	177	-109.8	85.1	0	0	0	112.1	L106 S107 M112 T113 L114	L106-L110 PolarHBondContact O-N 2.98Å; S107-L110 PolarHBondContact O-N 2.9Å; L110-M112 VanDerWaalsContact C-N 3.26Å; L110-M112 PolarHBondContact O-N 2.76Å; L110-T113 PolarHBondContact O-N 2.65Å; L110-L114 PolarHBondContact O-N 3.23Å; L110-L114 VanDerWaalsContact O-N 3.08Å
111	Y	44.5	Very low	38.5	Very low	156 Å²	156	123 Å²	123	61%	0.612	64%	0.635	S	S	*	*	H	α-helix	trans	-59.2	-36.7	178	-135.5	-87.4	0	0	0	112.3	S107 T113 S115	S107-Y111 PolarHBondContact O-N 2.7Å; S107-Y111 VanDerWaalsContact O-N 3.11Å; Y111-T113 VanDerWaalsContact C-N 3.34Å; Y111-S115 WeakPolarHBondContact O-CB 3.38Å; Y111-S115 PolarHBondContact O-N 2.76Å; Y111-S115 PolarHBondContact O-OG 2.89Å
112	M	41.6	Very low	38.6	Very low	141 Å²	141	121.9 Å²	121.9	70%	0.695	64%	0.635	S	S	*	*	H	α-helix	trans	-71.6	-24.4	175.4	-70.8	-70.1	-71.3	0	0	113.7	L110 S115 S116	L110-M112 VanDerWaalsContact C-N 3.26Å; L110-M112 PolarHBondContact O-N 2.76Å; M112-S115 WeakPolarHBondContact CA-OG 3.39Å; M112-S115 PolarHBondContact O-OG 2.91Å; M112-S116 PolarHBondContact O-OG 2.99Å
113	T	43	Very low	38.6	Very low	84 Å²	84	125.5 Å²	125.5	52%	0.515	64%	0.641	S	S	.	*	H	α-helix	trans	-86.5	-28.9	-179.8	-48.6	0	0	0	0	111.7	S109 L110 Y111 S116	S109-T113 PolarHBondContact O-OG1 3.45Å; S109-T113 VanDerWaalsContact O-OG1 3.05Å; L110-T113 PolarHBondContact O-N 2.65Å; Y111-T113 VanDerWaalsContact C-N 3.34Å; T113-S116 PolarHBondContact O-OG 3.48Å
114	L	39.4	Very low	38.6	Very low	111 Å²	111	127.6 Å²	127.6	58%	0.581	65%	0.653	S	S	*	*	H	α-helix	trans	-81.1	-31.8	178	-71.5	163.4	0	0	0	112.7	L110 S116	L110-L114 PolarHBondContact O-N 3.23Å; L110-L114 VanDerWaalsContact O-N 3.08Å; L114-S116 VanDerWaalsContact C-N 3.31Å; L114-S116 PolarHBondContact O-N 3.03Å
115	S	39.4	Very low	38.5	Very low	78 Å²	78	123.5 Å²	123.5	55%	0.545	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.8	-13.7	177.2	44	0	0	0	0	114.3	Y111 M112	Y111-S115 WeakPolarHBondContact O-CB 3.38Å; Y111-S115 PolarHBondContact O-N 2.76Å; Y111-S115 PolarHBondContact O-OG 2.89Å; M112-S115 WeakPolarHBondContact CA-OG 3.39Å; M112-S115 PolarHBondContact O-OG 2.91Å
116	S	39.7	Very low	38.3	Very low	83 Å²	83	119.7 Å²	119.7	58%	0.58	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-3.9	179.4	48.6	0	0	0	0	114.6	M112 T113 L114	M112-S116 PolarHBondContact O-OG 2.99Å; T113-S116 PolarHBondContact O-OG 3.48Å; L114-S116 VanDerWaalsContact C-N 3.31Å; L114-S116 PolarHBondContact O-N 3.03Å
117	N	39	Very low	38.3	Very low	129 Å²	129	122.5 Å²	122.5	69%	0.69	64%	0.641	S	S	*	*	S	Bend	trans	-119.3	-7.4	-171.6	-82.9	-51.9	0	0	0	116.7
118	R	34.5	Very low	38.5	Very low	198 Å²	198	126.3 Å²	126.3	75%	0.747	65%	0.651	S	S	*	*			trans	-153.9	133.4	175.1	-66.2	-172	-177.6	175.2	1.3	111.7	I120	R118-I120 HydrophobicContact CB-CD1 3.87Å; R118-I120 HydrophobicContact CB-CG1 3.78Å; R118-I120 PolarHBondContact O-N 3.24Å; R118-I120 VanDerWaalsContact O-N 3.07Å
119	E	31.9	Very low	38.5	Very low	205 Å²	205	126 Å²	126	96%	0.958	65%	0.645	S	S	*	*			trans	-61.4	101.8	160.6	-68.9	177.4	163.4	0	0	108.2
120	I	37.3	Very low	38.4	Very low	105 Å²	105	130.7 Å²	130.7	54%	0.538	66%	0.664	S	S	.	*			trans	-129.4	123.2	173.6	-59.1	178.9	0	0	0	107.5	R118 I125	R118-I120 HydrophobicContact CB-CD1 3.87Å; R118-I120 HydrophobicContact CB-CG1 3.78Å; R118-I120 PolarHBondContact O-N 3.24Å; R118-I120 VanDerWaalsContact O-N 3.07Å; I120-I125 HydrophobicContact CG2-CD1 4.05Å
121	N	32.8	Very low	38.9	Very low	140 Å²	140	132.8 Å²	132.8	75%	0.749	68%	0.676	S	S	*	*			trans	-58.7	134.3	179.5	-97.6	-24.5	0	0	0	112.1	Q123	N121-Q123 PolarHBondContact O-N 3.08Å
122	D	35.8	Very low	39	Very low	160 Å²	160	132.2 Å²	132.2	86%	0.856	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	12.7	-173.9	-78.3	-40	0	0	0	116.3
123	Q	35.8	Very low	39.4	Very low	172 Å²	172	127 Å²	127	80%	0.804	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	-9.7	-172	-72.9	-171.1	-24.7	0	0	116.5	N121	N121-Q123 PolarHBondContact O-N 3.08Å
124	D	37.3	Very low	39.9	Very low	146 Å²	146	125.8 Å²	125.8	78%	0.781	64%	0.642	S	S	*	*	S	Bend	trans	-104.4	0.5	-177	-74.9	-33.7	0	0	0	114.8
125	I	35.2	Very low	40.6	Very low	67 Å²	67	125 Å²	125	34%	0.344	64%	0.638	S	S	.	*	S	Bend	trans	-100.8	-9	-167.1	-63.4	174.4	0	0	0	113.5	I120 H127 F129	I120-I125 HydrophobicContact CG2-CD1 4.05Å; I125-H127 VanDerWaalsContact C-N 3.34Å; I125-H127 PolarHBondContact O-N 3.2Å; I125-F129 HydrophobicContact CG2-CD2 4.41Å; I125-F129 HydrophobicContact CG2-CE2 4.12Å
126	S	33.8	Very low	41.4	Very low	103 Å²	103	126.1 Å²	126.1	72%	0.72	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	3.1	-167.8	56.8	0	0	0	0	116.4
127	H	40.2	Very low	42.1	Very low	184 Å²	184	123.3 Å²	123.3	85%	0.852	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.3	4.1	-176	-91.8	-56.4	0	0	0	117.4	I125	I125-H127 VanDerWaalsContact C-N 3.34Å; I125-H127 PolarHBondContact O-N 3.2Å
128	E	40.5	Very low	42.9	Very low	149 Å²	149	121.8 Å²	121.8	70%	0.696	60%	0.599	S	S	*	*	S	Bend	trans	-114.3	-1.2	-168.7	-96.8	-175.4	171	0	0	118.1
129	F	39.7	Very low	43.9	Very low	95 Å²	95	115.3 Å²	115.3	42%	0.417	58%	0.579	S	S	.	*			trans	-125.1	93.9	-168.3	-63	-66.6	0	0	0	113.9	I125	I125-F129 HydrophobicContact CG2-CD2 4.41Å; I125-F129 HydrophobicContact CG2-CE2 4.12Å
130	N	42.9	Very low	45	Very low	174 Å²	174	106.9 Å²	106.9	93%	0.93	54%	0.543	S	S	*	.			trans	-134.9	13.7	175.1	-88.3	-25.5	0	0	0	115
131	N	53	Low	45.8	Very low	108 Å²	108	105.6 Å²	105.6	58%	0.578	54%	0.536	S	S	*	.			trans	-134.4	122.9	-179.8	-144.9	-10.5	0	0	0	112.4	Y133 D134	N131-Y133 PolarHBondContact O-N 2.96Å; N131-Y133 VanDerWaalsContact O-N 3.11Å; N131-D134 WeakPolarHBondContact O-CB 3.33Å; N131-D134 PolarHBondContact O-N 3.03Å
132	E	45.7	Very low	46.8	Very low	144 Å²	144	103.5 Å²	103.5	67%	0.673	53%	0.525	S	S	*	.	H	α-helix	trans	-53.2	-31.1	176.2	-172.2	177.8	-175.6	0	0	112.3	L135 Q136	E132-L135 WeakPolarHBondContact O-CB 3.21Å; E132-L135 PolarHBondContact O-N 3.45Å; E132-Q136 PolarHBondContact O-N 3.23Å
133	Y	50.3	Low	47.7	Very low	32 Å²	32	104.1 Å²	104.1	13%	0.125	52%	0.52	C	S	.	.	H	α-helix	trans	-63.3	-38.6	176.2	-175.2	-101	0	0	0	113.8	N131 L135 Q136 Q137 H275 Q403	N131-Y133 PolarHBondContact O-N 2.96Å; N131-Y133 VanDerWaalsContact O-N 3.11Å; Y133-L135 VanDerWaalsContact C-N 3.29Å; Y133-L135 PolarHBondContact O-N 3.05Å; Y133-Q136 PolarHBondContact O-N 3.1Å; Y133-Q137 HydrophobicContact CE1-CG 4.04Å; Y133-Q137 PolarHBondContact O-N 2.98Å; Y133-Q137 PolarHBondContact OH-NE2 3.29Å; Y133-H275 PolarHBondContact OH-CE1 2.9Å; Y133-H275 PolarHBondContact OH-ND1 2.8Å; Y133-Q403 VanDerWaalsContact CE1-NE2 3.26Å; Y133-Q403 PolarHBondContact OH-NE2 3.44Å
134	D	52.9	Low	48.8	Very low	59 Å²	59	98.6 Å²	98.6	32%	0.316	50%	0.496	S	S	.	.	H	α-helix	trans	-69.5	-33.9	179.6	-141.3	43.2	0	0	0	110.7	N131 K138	N131-D134 WeakPolarHBondContact O-CB 3.33Å; N131-D134 PolarHBondContact O-N 3.03Å; D134-K138 PolarHBondContact O-N 3.03Å
135	L	54.5	Low	49.9	Very low	94 Å²	94	98 Å²	98	49%	0.492	49%	0.492	S	S	.	.	H	α-helix	trans	-66.7	-43.1	172.3	-149.8	82.9	0	0	0	111.5	E132 Y133 K138 I139	E132-L135 WeakPolarHBondContact O-CB 3.21Å; E132-L135 PolarHBondContact O-N 3.45Å; Y133-L135 VanDerWaalsContact C-N 3.29Å; Y133-L135 PolarHBondContact O-N 3.05Å; L135-K138 PolarHBondContact O-N 2.75Å; L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.43Å; L135-I139 PolarHBondContact O-N 3.47Å
136	Q	56.1	Low	51.7	Low	102 Å²	102	102.8 Å²	102.8	48%	0.477	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-40.8	176.7	-74.9	-175.5	-7.9	0	0	112.5	E132 Y133 I139 S140	E132-Q136 PolarHBondContact O-N 3.23Å; Y133-Q136 PolarHBondContact O-N 3.1Å; Q136-I139 PolarHBondContact O-N 3.19Å; Q136-S140 PolarHBondContact O-N 3.31Å
137	Q	55.1	Low	53.7	Low	23 Å²	23	107.4 Å²	107.4	11%	0.107	52%	0.52	C	S	.	.	H	α-helix	trans	-61.2	-44.8	172.9	-75.9	-157	6.2	0	0	111.5	Y133 I139 S140 L141	Y133-Q137 HydrophobicContact CE1-CG 4.04Å; Y133-Q137 PolarHBondContact O-N 2.98Å; Y133-Q137 PolarHBondContact OH-NE2 3.29Å; Q137-I139 VanDerWaalsContact C-N 3.3Å; Q137-I139 PolarHBondContact O-N 3.48Å; Q137-S140 WeakPolarHBondContact O-CB 3.44Å; Q137-S140 PolarHBondContact O-N 3.26Å; Q137-S140 VanDerWaalsContact O-N 3.16Å; Q137-L141 PolarHBondContact O-N 3.05Å
138	K	54.8	Low	56	Low	97 Å²	97	105.3 Å²	105.3	42%	0.422	51%	0.514	S	S	.	.	H	α-helix	trans	-61.2	-36.4	174.3	-79.2	-175.1	179.1	-175.4	0	112.9	D134 L135 L141 L142	D134-K138 PolarHBondContact O-N 3.03Å; L135-K138 PolarHBondContact O-N 2.75Å; K138-L141 WeakPolarHBondContact O-CB 3.42Å; K138-L141 PolarHBondContact O-N 2.74Å; K138-L142 VanDerWaalsContact O-CG 3.31Å; K138-L142 WeakPolarHBondContact O-CG 3.11Å; K138-L142 PolarHBondContact O-N 3.36Å
139	I	57.2	Low	58.4	Low	63 Å²	63	100.2 Å²	100.2	32%	0.323	49%	0.491	S	S	.	.	H	α-helix	trans	-67.6	-39.5	174.6	-70.3	165.7	0	0	0	111.3	L135 Q136 Q137 L142 K143	L135-I139 VanDerWaalsContact O-CG1 3.29Å; L135-I139 WeakPolarHBondContact O-CG1 3.43Å; L135-I139 PolarHBondContact O-N 3.47Å; Q136-I139 PolarHBondContact O-N 3.19Å; Q137-I139 VanDerWaalsContact C-N 3.3Å; Q137-I139 PolarHBondContact O-N 3.48Å; I139-L142 PolarHBondContact O-N 3.05Å; I139-K143 WeakPolarHBondContact O-CG 3.42Å; I139-K143 PolarHBondContact O-N 2.96Å
140	S	55	Low	61.1	Low	28 Å²	28	96.5 Å²	96.5	20%	0.196	48%	0.476	C	S	.	.	H	α-helix	trans	-61.3	-45.7	172.9	177.6	0	0	0	0	111.5	Q136 Q137 L142 K143 N144	Q136-S140 PolarHBondContact O-N 3.31Å; Q137-S140 WeakPolarHBondContact O-CB 3.44Å; Q137-S140 PolarHBondContact O-N 3.26Å; Q137-S140 VanDerWaalsContact O-N 3.16Å; S140-L142 VanDerWaalsContact C-N 3.33Å; S140-L142 PolarHBondContact O-N 3.3Å; S140-K143 PolarHBondContact O-N 3Å; S140-K143 VanDerWaalsContact O-N 3.14Å; S140-N144 PolarHBondContact O-N 3.36Å; S140-N144 VanDerWaalsContact O-N 3.12Å
141	L	53.7	Low	63.7	Low	77 Å²	77	89.9 Å²	89.9	40%	0.403	44%	0.442	S	S	.	.	H	α-helix	trans	-56.3	-44.3	173.3	-84.5	152.7	0	0	0	112	Q137 K138 N144 L145	Q137-L141 PolarHBondContact O-N 3.05Å; K138-L141 WeakPolarHBondContact O-CB 3.42Å; K138-L141 PolarHBondContact O-N 2.74Å; L141-N144 PolarHBondContact O-N 2.93Å; L141-L145 PolarHBondContact O-N 3.19Å
142	L	52.7	Low	65.9	Low	97 Å²	97	84.8 Å²	84.8	51%	0.508	42%	0.415	S	S	.	.	H	α-helix	trans	-66.2	-35.3	177.1	-74.1	167.9	0	0	0	112.8	K138 I139 S140 N144 L145	K138-L142 VanDerWaalsContact O-CG 3.31Å; K138-L142 WeakPolarHBondContact O-CG 3.11Å; K138-L142 PolarHBondContact O-N 3.36Å; I139-L142 PolarHBondContact O-N 3.05Å; S140-L142 VanDerWaalsContact C-N 3.33Å; S140-L142 PolarHBondContact O-N 3.3Å; L142-N144 VanDerWaalsContact C-N 3.26Å; L142-N144 PolarHBondContact O-N 3.13Å; L142-L145 HydrophobicContact CD2-CD1 4.02Å
143	K	56.3	Low	68.4	Low	172 Å²	172	78 Å²	78	75%	0.748	38%	0.383	S	S	*	.	H	α-helix	trans	-69.5	-23.8	175.3	-75.6	179.7	179.2	178.2	0	112.9	I139 S140	I139-K143 WeakPolarHBondContact O-CG 3.42Å; I139-K143 PolarHBondContact O-N 2.96Å; S140-K143 PolarHBondContact O-N 3Å; S140-K143 VanDerWaalsContact O-N 3.14Å
144	N	58.7	Low	70.7	Confident	57 Å²	57	76.4 Å²	76.4	31%	0.305	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	4.4	-173.3	-77.3	-27.7	0	0	0	115.6	S140 L141 L142 N146 R147	S140-N144 PolarHBondContact O-N 3.36Å; S140-N144 VanDerWaalsContact O-N 3.12Å; L141-N144 PolarHBondContact O-N 2.93Å; L142-N144 VanDerWaalsContact C-N 3.26Å; L142-N144 PolarHBondContact O-N 3.13Å; N144-N146 PolarHBondContact O-N 3.48Å; N144-R147 PolarHBondContact O-N 3.32Å
145	L	59.6	Low	72.9	Confident	133 Å²	133	73.7 Å²	73.7	70%	0.696	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-22.2	-176.5	-78.3	166.4	0	0	0	115.4	L141 L142	L141-L145 PolarHBondContact O-N 3.19Å; L142-L145 HydrophobicContact CD2-CD1 4.02Å
146	N	72.4	Confident	75	Confident	168 Å²	168	69.2 Å²	69.2	90%	0.898	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	5.6	179.2	-73.3	-16.8	0	0	0	114.7	N144	N144-N146 PolarHBondContact O-N 3.48Å
147	R	77	Confident	76.9	Confident	200 Å²	200	65.7 Å²	65.7	76%	0.755	32%	0.323	S	S	*	.	S	Bend	trans	-116.6	138	179.5	-69.4	-177.7	175.1	-178.3	-1.4	110.7	N144	N144-R147 PolarHBondContact O-N 3.32Å
148	L	87.8	Confident	78.9	Confident	140 Å²	140	64.7 Å²	64.7	73%	0.733	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-68.2	136.8	166.8	-66	176.1	0	0	0	108.8
149	M	91	Very high	80.7	Confident	41 Å²	41	62 Å²	62	20%	0.202	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-57.9	146.4	168	-72.3	-64.2	-161.8	0	0	109.9	Y177 P178 R181 E274	M149-Y177 HydrophobicContact CB-CE1 4.44Å; M149-Y177 HydrophobicContact CB-CE2 4.12Å; M149-Y177 HydrophobicContact CG-CE2 4.32Å; M149-Y177 HydrophobicContact SD-CE2 4.41Å; M149-P178 HydrophobicContact CB-CG 4.14Å; M149-P178 HydrophobicContact CG-CG 3.99Å; M149-R181 PolarHBondContact O-NE 3.16Å; M149-R181 PolarHBondContact O-NH2 3.2Å; M149-E274 HydrophobicContact CE-CG 4.14Å
150	P	95.9	Very high	82.3	Confident	18 Å²	18	59.6 Å²	59.6	12%	0.117	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-51.8	159.2	176	-27.4	34.8	0	0	0	113.8	Y177 D256 F257 I277 L281	P150-Y177 WeakPolarHBondContact CD-OH 3.14Å; P150-Y177 PolarHBondContact O-OH 3.12Å; P150-D256 HydrophobicContact CB-CB 3.75Å; P150-F257 HydrophobicContact CB-CD2 3.58Å; P150-F257 HydrophobicContact CB-CE2 3.52Å; P150-F257 HydrophobicContact CG-CD2 4.22Å; P150-F257 HydrophobicContact CG-CE2 3.68Å; P150-I277 HydrophobicContact CG-CG2 4.12Å; P150-L281 HydrophobicContact CG-CD1 4.13Å
151	T	98.2	Very high	84.3	Confident	35 Å²	35	59.4 Å²	59.4	22%	0.215	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-79.2	140.8	170	53.8	0	0	0	0	110.2	R181 A255 D256 F257	T151-R181 WeakPolarHBondContact CA-O 3.37Å; T151-R181 VanDerWaalsContact CG2-CZ 3.42Å; T151-A255 WeakPolarHBondContact OG1-CA 3.49Å; T151-D256 PolarHBondContact N-OD2 3.45Å; T151-D256 WeakPolarHBondContact O-CB 3.42Å; T151-D256 PolarHBondContact O-N 2.72Å; T151-D256 VanDerWaalsContact O-N 3.16Å; T151-D256 PolarHBondContact OG1-N 3.33Å; T151-D256 PolarHBondContact OG1-OD2 3.15Å; T151-F257 PolarHBondContact O-N 2.8Å
152	L	98.6	Very high	86.4	Confident	1 Å²	1	56 Å²	56	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128	-177.5	177.2	65.8	0	0	0	110.2	I154 Y177 R181 I182 T183 F257 L259 I273 L356	L152-I154 HydrophobicContact CD2-CD1 3.94Å; L152-I154 HydrophobicContact CD2-CG1 3.85Å; L152-I154 HydrophobicContact CG-CG1 3.9Å; L152-Y177 HydrophobicContact CB-CE1 4.19Å; L152-R181 PolarHBondContact N-O 2.86Å; L152-I182 HydrophobicContact CB-CG1 4.42Å; L152-I182 HydrophobicContact CD2-CG1 4.32Å; L152-I182 CarbonylContact O-C 3.6Å; L152-I182 WeakPolarHBondContact O-CA 3.47Å; L152-T183 PolarHBondContact O-N 3.06Å; L152-F257 WeakPolarHBondContact CA-O 3.48Å; L152-F257 HydrophobicContact CD1-CB 3.78Å; L152-L259 HydrophobicContact CD1-CB 4.07Å; L152-I273 HydrophobicContact CD2-CD1 3.89Å; L152-I273 HydrophobicContact CD2-CG1 4.48Å; L152-I273 HydrophobicContact CD2-CG2 3.47Å; L152-I273 VanDerWaalsContact CD2-CG2 3.47Å; L152-L356 HydrophobicContact CD1-CD1 3.81Å
153	C	98.8	Very high	88.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.6	165.3	-173.6	0	0	0	0	109.6	T183 A250 I253 A255 F257 Y258 L259	C153-T183 CarbonylContact C-O 3.56Å; C153-T183 WeakPolarHBondContact CA-O 3.26Å; C153-A250 HydrophobicContact CB-CB 3.67Å; C153-I253 HydrophobicContact CB-CD1 4.13Å; C153-A255 HydrophobicContact CB-CB 3.68Å; C153-F257 PolarHBondContact N-O 2.9Å; C153-Y258 HydrophobicContact CB-CD2 4.34Å; C153-Y258 CarbonylContact O-C 3.56Å; C153-Y258 WeakPolarHBondContact O-CA 3.45Å; C153-L259 PolarHBondContact O-N 3.31Å
154	I	98.7	Very high	90.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113	174.7	-55.3	179.6	0	0	0	107.8	L152 V156 I172 I182 T183 L184 I185 L259 I261 I273	L152-I154 HydrophobicContact CD2-CD1 3.94Å; L152-I154 HydrophobicContact CD2-CG1 3.85Å; L152-I154 HydrophobicContact CG-CG1 3.9Å; I154-V156 HydrophobicContact CG2-CG2 4.05Å; I154-I172 HydrophobicContact CD1-CD1 4.47Å; I154-I182 HydrophobicContact CD1-CG2 3.76Å; I154-I182 HydrophobicContact CG1-CG2 4.08Å; I154-T183 PolarHBondContact N-O 2.95Å; I154-L184 HydrophobicContact CB-CD2 3.75Å; I154-L184 HydrophobicContact CD1-CD2 4.1Å; I154-L184 HydrophobicContact CG1-CD2 4.41Å; I154-L184 HydrophobicContact CG2-CD2 3.95Å; I154-I185 PolarHBondContact O-N 3.4Å; I154-L259 WeakPolarHBondContact CA-O 3.33Å; I154-L259 HydrophobicContact CD1-CD2 4.25Å; I154-L259 HydrophobicContact CG1-CB 4.18Å; I154-L259 HydrophobicContact CG1-CD2 4.16Å; I154-L259 HydrophobicContact CG2-CD2 4.26Å; I154-I261 HydrophobicContact CG2-CG2 3.67Å; I154-I273 HydrophobicContact CD1-CD1 3.94Å
155	G	98.6	Very high	92.3	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.9	178.6	0	0	0	0	0	111.7	L259 I261	G155-L259 PolarHBondContact N-O 3.21Å; G155-I261 PolarHBondContact O-N 2.67Å
156	V	98.5	Very high	94.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.5	-175	-167.4	0	0	0	0	110.4	I154 V158 F168 I185 F186 Y187 I261 A263	I154-V156 HydrophobicContact CG2-CG2 4.05Å; V156-V158 HydrophobicContact CG1-CG2 3.84Å; V156-F168 HydrophobicContact CB-CZ 4.47Å; V156-F168 HydrophobicContact CG1-CE1 4.08Å; V156-F168 HydrophobicContact CG1-CE2 4.49Å; V156-F168 HydrophobicContact CG1-CZ 3.77Å; V156-F168 HydrophobicContact CG2-CE1 4.3Å; V156-F168 HydrophobicContact CG2-CZ 3.81Å; V156-I185 PolarHBondContact N-O 3.5Å; V156-F186 HydrophobicContact CB-CD1 3.69Å; V156-F186 HydrophobicContact CB-CE1 3.92Å; V156-F186 HydrophobicContact CG1-CD1 4.08Å; V156-F186 HydrophobicContact CG1-CE1 4.18Å; V156-F186 HydrophobicContact CG2-CD1 4.05Å; V156-F186 HydrophobicContact CG2-CE1 3.81Å; V156-F186 WeakPolarHBondContact O-CA 3.43Å; V156-Y187 PolarHBondContact O-N 2.73Å; V156-I261 HydrophobicContact CG2-CG2 3.81Å; V156-A263 HydrophobicContact CG1-CB 3.87Å
157	L	96.7	Very high	95.4	Very high	28 Å²	28	27.7 Å²	27.7	15%	0.147	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.9	166.7	-63.7	-171.4	0	0	0	110	Y187 V239 L242 R243 L246	L157-Y187 HydrophobicContact CD2-CD2 4.02Å; L157-Y187 HydrophobicContact CD2-CG 4.38Å; L157-V239 HydrophobicContact CD1-CG1 4.26Å; L157-L242 HydrophobicContact CD1-CB 4.01Å; L157-L242 HydrophobicContact CD2-CB 3.73Å; L157-R243 HydrophobicContact CD1-CG 3.43Å; L157-R243 VanDerWaalsContact CD1-CG 3.43Å; L157-R243 HydrophobicContact CG-CG 4.33Å; L157-L246 HydrophobicContact CD2-CD1 3.47Å; L157-L246 VanDerWaalsContact CD2-CD1 3.47Å; L157-L246 HydrophobicContact CD2-CG 4.17Å; L157-L246 HydrophobicContact CG-CD1 3.77Å
158	V	96.7	Very high	96.4	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.012	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	116.5	-174.6	-176	0	0	0	0	110.1	V156 K161 L165 F186 Y187 V188 D189 L199 A263	V156-V158 HydrophobicContact CG1-CG2 3.84Å; V158-K161 HydrophobicContact CG1-CB 4.24Å; V158-L165 HydrophobicContact CG1-CD1 4.04Å; V158-L165 HydrophobicContact CG1-CD2 4.31Å; V158-F186 HydrophobicContact CG2-CD1 4.14Å; V158-Y187 PolarHBondContact N-O 2.95Å; V158-V188 HydrophobicContact CB-CG2 4.16Å; V158-V188 HydrophobicContact CG1-CG2 4.41Å; V158-V188 WeakPolarHBondContact O-CA 3.4Å; V158-D189 PolarHBondContact O-N 2.69Å; V158-L199 HydrophobicContact CB-CD1 4.29Å; V158-L199 HydrophobicContact CG1-CD1 4.02Å; V158-L199 HydrophobicContact CG2-CD1 4.11Å; V158-A263 HydrophobicContact CG2-CB 4.1Å
159	R	92.1	Very high	97	Very high	40 Å²	40	11.5 Å²	11.5	15%	0.151	6%	0.059	C	C	.	.	S	Bend	trans	-146.1	114	175.3	179.1	167.2	-174.8	-169.4	0.8	111	K161 D189 N190 K229 H235	R159-K161 VanDerWaalsContact C-N 3.34Å; R159-K161 WeakPolarHBondContact O-CG 3.23Å; R159-K161 PolarHBondContact O-N 3.41Å; R159-D189 WeakPolarHBondContact CB-O 3.34Å; R159-D189 WeakPolarHBondContact CG-O 3.35Å; R159-N190 PolarHBondContact NE-O 3.5Å; R159-K229 VanDerWaalsContact NH2-CG 3.33Å; R159-H235 PolarHBondContact NH1-CD2 2.74Å; R159-H235 VanDerWaalsContact NH1-CD2 3.29Å; R159-H235 PolarHBondContact NH1-CE1 3Å; R159-H235 VanDerWaalsContact NH1-CE1 3.29Å; R159-H235 PolarHBondContact NH1-NE2 3.26Å
160	N	92.6	Very high	97.3	Very high	14 Å²	14	11.1 Å²	11.1	8%	0.075	6%	0.057	C	C	.	.	S	Bend	trans	56.4	40.7	-179	-49.7	-53.7	0	0	0	114.7	H163 T191 I192 D193 L429	N160-H163 PolarHBondContact O-CE1 3.42Å; N160-H163 VanDerWaalsContact O-CE1 3.28Å; N160-H163 PolarHBondContact O-ND1 3.48Å; N160-T191 WeakPolarHBondContact CA-OG1 3.35Å; N160-T191 PolarHBondContact N-OG1 2.95Å; N160-T191 WeakPolarHBondContact OD1-CA 3.48Å; N160-T191 PolarHBondContact OD1-OG1 3.4Å; N160-I192 WeakPolarHBondContact OD1-CG1 3.47Å; N160-I192 PolarHBondContact OD1-N 2.84Å; N160-D193 VanDerWaalsContact CA-CG 3.49Å; N160-D193 WeakPolarHBondContact CA-OD2 3.45Å; N160-L429 HydrophobicContact CB-CD1 4.03Å; N160-L429 WeakPolarHBondContact O-CD1 3.4Å
161	K	96.1	Very high	97.4	Very high	23 Å²	23	10.3 Å²	10.3	10%	0.1	5%	0.053	C	C	.	.			trans	-107.9	21.6	-174.8	-62.6	-59.6	-176.3	178.3	0	113.3	V158 R159 H163 T164 L165 D193 S195 A263 D264 E432	V158-K161 HydrophobicContact CG1-CB 4.24Å; R159-K161 VanDerWaalsContact C-N 3.34Å; R159-K161 WeakPolarHBondContact O-CG 3.23Å; R159-K161 PolarHBondContact O-N 3.41Å; K161-H163 PolarHBondContact O-N 3.3Å; K161-T164 WeakPolarHBondContact CB-OG1 3.32Å; K161-T164 PolarHBondContact O-N 3.46Å; K161-T164 PolarHBondContact O-OG1 2.99Å; K161-L165 HydrophobicContact CB-CD1 4.49Å; K161-L165 HydrophobicContact CB-CG 4.16Å; K161-L165 WeakPolarHBondContact O-CB 3.27Å; K161-L165 VanDerWaalsContact O-CG 3.22Å; K161-L165 WeakPolarHBondContact O-CG 3.23Å; K161-L165 PolarHBondContact O-N 3.17Å; K161-D193 PolarHBondContact N-OD2 3.39Å; K161-S195 PolarHBondContact N-OG 3.31Å; K161-A263 HydrophobicContact CB-CB 4.17Å; K161-A263 HydrophobicContact CG-CB 3.95Å; K161-D264 IonicContact NZ-OD2 3.6Å; K161-D264 PolarHBondContact NZ-OD2 3.02Å; K161-E432 IonicContact NZ-OE1 2.64Å; K161-E432 PolarHBondContact NZ-OE1 3.2Å
162	A	97	Very high	97.4	Very high	7 Å²	7	8.9 Å²	8.9	6%	0.058	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-33.3	-178.3	0	0	0	0	0	112.7	P166 D193 S195 I198 Q466	A162-P166 WeakPolarHBondContact O-CD 3.41Å; A162-D193 HydrophobicContact CB-CB 4Å; A162-D193 VanDerWaalsContact CB-CG 3.43Å; A162-D193 WeakPolarHBondContact CB-OD2 3.38Å; A162-D193 PolarHBondContact N-OD2 3.46Å; A162-S195 PolarHBondContact N-OG 2.94Å; A162-I198 HydrophobicContact CB-CD1 3.73Å; A162-I198 VanDerWaalsContact O-CD1 3.23Å; A162-I198 WeakPolarHBondContact O-CD1 3.33Å; A162-Q466 PolarHBondContact O-NE2 3.45Å; A162-Q466 PolarHBondContact O-OE1 2.87Å
163	H	96.7	Very high	97.2	Very high	18 Å²	18	10.5 Å²	10.5	8%	0.083	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-23.4	-178.9	60.3	-82.1	0	0	0	114.1	N160 K161 Q433 F436	N160-H163 PolarHBondContact O-CE1 3.42Å; N160-H163 VanDerWaalsContact O-CE1 3.28Å; N160-H163 PolarHBondContact O-ND1 3.48Å; K161-H163 PolarHBondContact O-N 3.3Å; H163-Q433 HydrophobicContact CB-CG 3.8Å; H163-F436 VanDerWaalsContact O-CD1 3.31Å; H163-F436 WeakPolarHBondContact O-CD1 3.36Å; H163-F436 WeakPolarHBondContact O-CE1 3.38Å
164	T	97.6	Very high	97.1	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.006	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-32.8	179.5	65.1	0	0	0	0	112.5	K161 Y167 F168 A263 D264 F436	K161-T164 WeakPolarHBondContact CB-OG1 3.32Å; K161-T164 PolarHBondContact O-N 3.46Å; K161-T164 PolarHBondContact O-OG1 2.99Å; T164-Y167 WeakPolarHBondContact O-CB 3.21Å; T164-Y167 PolarHBondContact O-N 3Å; T164-F168 PolarHBondContact O-N 2.86Å; T164-A263 WeakPolarHBondContact CB-O 3.37Å; T164-A263 PolarHBondContact OG1-O 2.84Å; T164-D264 HydrophobicContact CG2-CB 4.08Å; T164-F436 HydrophobicContact CG2-CB 4.24Å; T164-F436 HydrophobicContact CG2-CD1 4.14Å; T164-F436 HydrophobicContact CG2-CD2 3.51Å; T164-F436 HydrophobicContact CG2-CE1 4.44Å; T164-F436 HydrophobicContact CG2-CE2 3.85Å; T164-F436 HydrophobicContact CG2-CG 3.67Å; T164-F436 HydrophobicContact CG2-CZ 4.32Å
165	L	98.3	Very high	97	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-49.7	-45.7	-171.3	-82.6	169.4	0	0	0	114.3	V158 K161 Y167 F168 L169 I198 L199	V158-L165 HydrophobicContact CG1-CD1 4.04Å; V158-L165 HydrophobicContact CG1-CD2 4.31Å; K161-L165 HydrophobicContact CB-CD1 4.49Å; K161-L165 HydrophobicContact CB-CG 4.16Å; K161-L165 WeakPolarHBondContact O-CB 3.27Å; K161-L165 VanDerWaalsContact O-CG 3.22Å; K161-L165 WeakPolarHBondContact O-CG 3.23Å; K161-L165 PolarHBondContact O-N 3.17Å; L165-Y167 PolarHBondContact O-N 2.8Å; L165-Y167 VanDerWaalsContact O-N 3.16Å; L165-F168 HydrophobicContact CD2-CD1 4.36Å; L165-F168 PolarHBondContact O-N 2.92Å; L165-L169 HydrophobicContact CB-CD1 4.36Å; L165-L169 HydrophobicContact CD2-CD1 4.44Å; L165-L169 VanDerWaalsContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CD1 3.43Å; L165-L169 WeakPolarHBondContact O-CG 3.24Å; L165-L169 PolarHBondContact O-N 3.17Å; L165-I198 HydrophobicContact CB-CG2 3.84Å; L165-I198 HydrophobicContact CD1-CB 4.4Å; L165-I198 HydrophobicContact CD1-CG2 4.43Å; L165-L199 HydrophobicContact CD1-CG 4.01Å; L165-L199 HydrophobicContact CD2-CD2 3.83Å; L165-L199 HydrophobicContact CD2-CG 4.14Å
166	P	98.5	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-54.9	-36.7	177.5	-26.9	35.9	0	0	0	113.7	A162 N170 I198 P455 S456 L459 I462 A463	A162-P166 WeakPolarHBondContact O-CD 3.41Å; P166-N170 PolarHBondContact O-N 2.8Å; P166-I198 HydrophobicContact CG-CG2 4.19Å; P166-P455 HydrophobicContact CB-CB 3.74Å; P166-P455 CarbonylContact O-C 3.44Å; P166-P455 VanDerWaalsContact O-CA 3.3Å; P166-P455 WeakPolarHBondContact O-CA 3.25Å; P166-S456 PolarHBondContact O-N 2.9Å; P166-L459 HydrophobicContact CB-CB 4Å; P166-L459 HydrophobicContact CB-CD1 4.13Å; P166-L459 HydrophobicContact CG-CB 4.46Å; P166-L459 HydrophobicContact CG-CD1 4.33Å; P166-I462 HydrophobicContact CG-CG2 4.47Å; P166-A463 HydrophobicContact CB-CB 3.96Å; P166-A463 HydrophobicContact CG-CB 4.32Å
167	Y	98.4	Very high	96.8	Very high	12 Å²	12	20 Å²	20	5%	0.047	10%	0.097	C	C	.	.	H	α-helix	trans	-87.3	-39.7	-176.9	-54.4	-86.5	0	0	0	112.2	T164 L165 L169 N170 G171 F436 R440 V453 M454 P455 A463	T164-Y167 WeakPolarHBondContact O-CB 3.21Å; T164-Y167 PolarHBondContact O-N 3Å; L165-Y167 PolarHBondContact O-N 2.8Å; L165-Y167 VanDerWaalsContact O-N 3.16Å; Y167-L169 VanDerWaalsContact C-N 3.3Å; Y167-L169 PolarHBondContact O-N 3.4Å; Y167-N170 WeakPolarHBondContact O-CB 3.22Å; Y167-N170 PolarHBondContact O-N 2.87Å; Y167-G171 PolarHBondContact O-N 2.73Å; Y167-F436 AromaticContact CD2-CE1 3.37Å; Y167-F436 HydrophobicContact CD2-CE1 3.37Å; Y167-F436 AromaticContact CD2-CZ 3.48Å; Y167-F436 HydrophobicContact CD2-CZ 3.48Å; Y167-F436 VanDerWaalsContact CD2-CZ 3.48Å; Y167-F436 AromaticContact CE2-CE1 3.7Å; Y167-F436 HydrophobicContact CE2-CE1 3.7Å; Y167-F436 HydrophobicContact CE2-CZ 4.24Å; Y167-F436 HydrophobicContact CG-CE1 4.06Å; Y167-F436 AromaticContact CG-CZ 3.73Å; Y167-F436 HydrophobicContact CG-CZ 3.73Å; Y167-R440 PolarHBondContact OH-NH1 3.4Å; Y167-V453 HydrophobicContact CD1-CG1 3.63Å; Y167-V453 HydrophobicContact CG-CG1 4.02Å; Y167-M454 VanDerWaalsContact CD1-C 3.45Å; Y167-P455 HydrophobicContact CD1-CB 4.13Å; Y167-P455 HydrophobicContact CE1-CB 3.98Å; Y167-P455 HydrophobicContact CE1-CG 4.24Å; Y167-A463 HydrophobicContact CE2-CB 4.48Å
168	F	98.6	Very high	96.7	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-55.4	-48.2	171.4	167.3	-92	0	0	0	110.7	V156 T164 L165 N170 G171 I172 F186 I261 D262 V265 I266	V156-F168 HydrophobicContact CB-CZ 4.47Å; V156-F168 HydrophobicContact CG1-CE1 4.08Å; V156-F168 HydrophobicContact CG1-CE2 4.49Å; V156-F168 HydrophobicContact CG1-CZ 3.77Å; V156-F168 HydrophobicContact CG2-CE1 4.3Å; V156-F168 HydrophobicContact CG2-CZ 3.81Å; T164-F168 PolarHBondContact O-N 2.86Å; L165-F168 HydrophobicContact CD2-CD1 4.36Å; L165-F168 PolarHBondContact O-N 2.92Å; F168-N170 VanDerWaalsContact C-N 3.33Å; F168-N170 PolarHBondContact O-N 3.47Å; F168-G171 PolarHBondContact O-N 2.99Å; F168-G171 VanDerWaalsContact O-N 3.11Å; F168-I172 HydrophobicContact CE1-CG1 3.96Å; F168-I172 HydrophobicContact CE2-CG1 4.44Å; F168-I172 HydrophobicContact CZ-CD1 4.23Å; F168-I172 HydrophobicContact CZ-CG1 3.9Å; F168-I172 PolarHBondContact O-N 2.8Å; F168-F186 HydrophobicContact CE1-CE1 4.06Å; F168-I261 HydrophobicContact CE2-CD1 3.8Å; F168-I261 HydrophobicContact CE2-CG1 3.98Å; F168-I261 HydrophobicContact CE2-CG2 4.1Å; F168-I261 HydrophobicContact CZ-CD1 4.5Å; F168-I261 HydrophobicContact CZ-CG2 4Å; F168-D262 WeakPolarHBondContact CE2-O 3.42Å; F168-V265 VanDerWaalsContact CD2-O 3.27Å; F168-V265 WeakPolarHBondContact CD2-O 3.46Å; F168-I266 HydrophobicContact CB-CD1 4.3Å
169	L	98.6	Very high	96.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-30.4	-178	-66.7	166.4	0	0	0	112.6	L165 Y167 G171 I172 E173 F186 L199 W202 L459	L165-L169 HydrophobicContact CB-CD1 4.36Å; L165-L169 HydrophobicContact CD2-CD1 4.44Å; L165-L169 VanDerWaalsContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CB 3.3Å; L165-L169 WeakPolarHBondContact O-CD1 3.43Å; L165-L169 WeakPolarHBondContact O-CG 3.24Å; L165-L169 PolarHBondContact O-N 3.17Å; Y167-L169 VanDerWaalsContact C-N 3.3Å; Y167-L169 PolarHBondContact O-N 3.4Å; L169-G171 VanDerWaalsContact C-N 3.33Å; L169-I172 PolarHBondContact O-N 2.84Å; L169-E173 VanDerWaalsContact O-CB 3.23Å; L169-E173 WeakPolarHBondContact O-CB 3.37Å; L169-E173 PolarHBondContact O-N 2.96Å; L169-F186 HydrophobicContact CD2-CE1 4.11Å; L169-F186 HydrophobicContact CD2-CZ 3.84Å; L169-L199 HydrophobicContact CD1-CD2 4.29Å; L169-L199 HydrophobicContact CD2-CD2 4.33Å; L169-W202 HydrophobicContact CB-CD2 4.27Å; L169-W202 HydrophobicContact CB-CG 4.16Å; L169-W202 HydrophobicContact CD1-CB 3.74Å; L169-W202 HydrophobicContact CD1-CD2 4.05Å; L169-W202 HydrophobicContact CD1-CG 3.63Å; L169-W202 HydrophobicContact CD2-CD2 3.83Å; L169-W202 HydrophobicContact CD2-CE3 3.91Å; L169-W202 HydrophobicContact CD2-CG 4.31Å; L169-W202 HydrophobicContact CD2-CH2 4.41Å; L169-W202 HydrophobicContact CD2-CZ2 4.32Å; L169-W202 HydrophobicContact CD2-CZ3 4.2Å; L169-W202 HydrophobicContact CG-CD2 4.25Å; L169-W202 HydrophobicContact CG-CG 4.23Å; L169-L459 HydrophobicContact CD1-CD1 3.68Å
170	N	98.1	Very high	96.9	Very high	32 Å²	32	27.4 Å²	27.4	17%	0.171	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-45.1	170.1	-174.6	-82.9	0	0	0	111.4	P166 Y167 F168 I172 E173 N174 M454 P455	P166-N170 PolarHBondContact O-N 2.8Å; Y167-N170 WeakPolarHBondContact O-CB 3.22Å; Y167-N170 PolarHBondContact O-N 2.87Å; F168-N170 VanDerWaalsContact C-N 3.33Å; F168-N170 PolarHBondContact O-N 3.47Å; N170-I172 VanDerWaalsContact C-N 3.28Å; N170-I172 PolarHBondContact O-N 2.7Å; N170-E173 PolarHBondContact O-N 3Å; N170-N174 VanDerWaalsContact CG-ND2 3.29Å; N170-N174 PolarHBondContact ND2-ND2 2.84Å; N170-N174 WeakPolarHBondContact O-CB 3.38Å; N170-N174 PolarHBondContact O-N 2.81Å; N170-N174 PolarHBondContact O-ND2 2.89Å; N170-N174 VanDerWaalsContact O-ND2 3.12Å; N170-N174 PolarHBondContact OD1-ND2 2.74Å; N170-M454 WeakPolarHBondContact CB-O 3.33Å; N170-M454 VanDerWaalsContact CG-O 3.23Å; N170-P455 PolarHBondContact ND2-O 3.46Å
171	G	97.5	Very high	97.1	Very high	2 Å²	2	30 Å²	30	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-61.3	-36.4	179.5	0	0	0	0	0	112.9	Y167 F168 L169 Q175	Y167-G171 PolarHBondContact O-N 2.73Å; F168-G171 PolarHBondContact O-N 2.99Å; F168-G171 VanDerWaalsContact O-N 3.11Å; L169-G171 VanDerWaalsContact C-N 3.33Å; G171-Q175 VanDerWaalsContact O-CG 3.31Å; G171-Q175 WeakPolarHBondContact O-CG 3.46Å; G171-Q175 PolarHBondContact O-NE2 2.89Å
172	I	97.7	Very high	97.3	Very high	4 Å²	4	29 Å²	29	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-74.8	-42.4	174.9	-61.6	-62.7	0	0	0	112	I154 F168 L169 N170 N174 L184 Y210 I261 L267	I154-I172 HydrophobicContact CD1-CD1 4.47Å; F168-I172 HydrophobicContact CE1-CG1 3.96Å; F168-I172 HydrophobicContact CE2-CG1 4.44Å; F168-I172 HydrophobicContact CZ-CD1 4.23Å; F168-I172 HydrophobicContact CZ-CG1 3.9Å; F168-I172 PolarHBondContact O-N 2.8Å; L169-I172 PolarHBondContact O-N 2.84Å; N170-I172 VanDerWaalsContact C-N 3.28Å; N170-I172 PolarHBondContact O-N 2.7Å; I172-N174 VanDerWaalsContact C-N 3.31Å; I172-N174 PolarHBondContact O-N 3.25Å; I172-L184 HydrophobicContact CG2-CD1 4.39Å; I172-L184 HydrophobicContact CG2-CD2 3.96Å; I172-Y210 PolarHBondContact O-OH 2.89Å; I172-I261 HydrophobicContact CD1-CD1 4.27Å; I172-L267 HydrophobicContact CD1-CD1 4.21Å
173	E	95.9	Very high	97.3	Very high	36 Å²	36	29.3 Å²	29.3	17%	0.168	14%	0.144	C	C	.	.	H	α-helix	trans	-61.3	-37.5	-179.4	172.6	168.9	-158.8	0	0	112.6	L169 N170 K209 Y210 S456	L169-E173 VanDerWaalsContact O-CB 3.23Å; L169-E173 WeakPolarHBondContact O-CB 3.37Å; L169-E173 PolarHBondContact O-N 2.96Å; N170-E173 PolarHBondContact O-N 3Å; E173-K209 IonicContact OE1-NZ 2.72Å; E173-K209 PolarHBondContact OE1-NZ 3.02Å; E173-Y210 WeakPolarHBondContact CA-OH 3.22Å; E173-S456 WeakPolarHBondContact OE2-CB 3.38Å; E173-S456 PolarHBondContact OE2-OG 2.95Å
174	N	96.1	Very high	97.4	Very high	70 Å²	70	28.4 Å²	28.4	37%	0.374	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	2.6	-173.3	-68.1	-45.4	0	0	0	114.5	N170 I172 Q176 L270	N170-N174 VanDerWaalsContact CG-ND2 3.29Å; N170-N174 PolarHBondContact ND2-ND2 2.84Å; N170-N174 WeakPolarHBondContact O-CB 3.38Å; N170-N174 PolarHBondContact O-N 2.81Å; N170-N174 PolarHBondContact O-ND2 2.89Å; N170-N174 VanDerWaalsContact O-ND2 3.12Å; N170-N174 PolarHBondContact OD1-ND2 2.74Å; I172-N174 VanDerWaalsContact C-N 3.31Å; I172-N174 PolarHBondContact O-N 3.25Å; N174-Q176 PolarHBondContact O-N 2.9Å; N174-L270 HydrophobicContact CB-CD2 3.7Å
175	Q	97.6	Very high	97.5	Very high	12 Å²	12	28.4 Å²	28.4	6%	0.056	14%	0.14	C	C	.	.			trans	-62.5	130.8	176.1	-66.5	-61.7	-59.7	0	0	110.7	G171 Y177 L267 N269 L270 I273	G171-Q175 VanDerWaalsContact O-CG 3.31Å; G171-Q175 WeakPolarHBondContact O-CG 3.46Å; G171-Q175 PolarHBondContact O-NE2 2.89Å; Q175-Y177 PolarHBondContact O-N 2.86Å; Q175-L267 HydrophobicContact CG-CD1 4.39Å; Q175-N269 PolarHBondContact NE2-O 3.4Å; Q175-L270 CarbonylContact C-O 3.49Å; Q175-L270 WeakPolarHBondContact CA-O 3.48Å; Q175-L270 PolarHBondContact OE1-O 2.93Å; Q175-I273 HydrophobicContact CB-CD1 3.98Å; Q175-I273 HydrophobicContact CB-CG1 4.48Å; Q175-I273 HydrophobicContact CG-CD1 3.64Å; Q175-I273 HydrophobicContact CG-CG1 4.02Å; Q175-I273 VanDerWaalsContact OE1-N 3.14Å
176	Q	95.5	Very high	97.5	Very high	109 Å²	109	28.4 Å²	28.4	51%	0.509	14%	0.14	S	C	.	.	S	Bend	trans	-76.8	67.5	172.6	-67.8	-172.8	-3.4	0	0	109.5	N174 L270 L271	N174-Q176 PolarHBondContact O-N 2.9Å; Q176-L270 HydrophobicContact CG-CB 4.13Å; Q176-L270 PolarHBondContact N-O 3Å; Q176-L271 HydrophobicContact CB-CD2 4.1Å
177	Y	96	Very high	97.4	Very high	10 Å²	10	28.7 Å²	28.7	4%	0.039	14%	0.141	C	C	.	.	S	Bend	trans	-138.9	142	173.8	-161.1	-96.1	0	0	0	109	M149 P150 L152 Q175 T179 R181 I182 I273 E274 I277	M149-Y177 HydrophobicContact CB-CE1 4.44Å; M149-Y177 HydrophobicContact CB-CE2 4.12Å; M149-Y177 HydrophobicContact CG-CE2 4.32Å; M149-Y177 HydrophobicContact SD-CE2 4.41Å; P150-Y177 WeakPolarHBondContact CD-OH 3.14Å; P150-Y177 PolarHBondContact O-OH 3.12Å; L152-Y177 HydrophobicContact CB-CE1 4.19Å; Q175-Y177 PolarHBondContact O-N 2.86Å; Y177-T179 PolarHBondContact O-N 2.91Å; Y177-R181 HydrophobicContact CE1-CB 4.17Å; Y177-I182 HydrophobicContact CD1-CD1 3.91Å; Y177-I182 HydrophobicContact CD1-CG1 3.77Å; Y177-I182 HydrophobicContact CE1-CG1 4.36Å; Y177-I273 HydrophobicContact CD1-CG2 4.31Å; Y177-I273 HydrophobicContact CD2-CG2 3.75Å; Y177-I273 HydrophobicContact CE2-CG2 4.21Å; Y177-I273 HydrophobicContact CG-CG2 3.78Å; Y177-E274 HydrophobicContact CD2-CB 4.23Å; Y177-I277 HydrophobicContact CD2-CD1 4.45Å; Y177-I277 HydrophobicContact CE2-CD1 3.54Å; Y177-I277 VanDerWaalsContact OH-CD1 3.3Å; Y177-I277 WeakPolarHBondContact OH-CD1 3.44Å
178	P	95.6	Very high	97.2	Very high	60 Å²	60	28.3 Å²	28.3	39%	0.39	14%	0.14	S	C	.	.			trans	-60.3	107.5	-176.1	-24.4	34.8	0	0	0	111.4	M149 K180 R181	M149-P178 HydrophobicContact CB-CG 4.14Å; M149-P178 HydrophobicContact CG-CG 3.99Å; P178-K180 PolarHBondContact O-N 3.4Å; P178-K180 VanDerWaalsContact O-N 3.07Å; P178-R181 HydrophobicContact CB-CB 4.42Å; P178-R181 HydrophobicContact CB-CG 3.91Å; P178-R181 WeakPolarHBondContact O-CA 3.21Å; P178-R181 WeakPolarHBondContact O-CB 3.45Å; P178-R181 PolarHBondContact O-N 3.46Å
179	T	96.6	Very high	96.7	Very high	41 Å²	41	28.6 Å²	28.6	25%	0.252	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-58.2	-27.7	-177.2	51.4	0	0	0	0	112.8	Y177 R181 I182 K209 Y210 H211	Y177-T179 PolarHBondContact O-N 2.91Å; T179-R181 PolarHBondContact O-N 3.16Å; T179-R181 VanDerWaalsContact O-N 3.17Å; T179-I182 PolarHBondContact O-N 2.8Å; T179-K209 PolarHBondContact OG1-O 2.56Å; T179-Y210 HydrophobicContact CG2-CD1 4.26Å; T179-Y210 HydrophobicContact CG2-CE1 3.88Å; T179-Y210 CarbonylContact O-C 3.56Å; T179-Y210 WeakPolarHBondContact O-CA 3.22Å; T179-H211 PolarHBondContact O-N 2.85Å
180	K	96.6	Very high	95.9	Very high	123 Å²	123	30.6 Å²	30.6	54%	0.535	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-67.3	-4.6	171.3	-62.7	-61.5	175.5	-168.2	0	115.1	P178 D208 K209 Y210 H211	P178-K180 PolarHBondContact O-N 3.4Å; P178-K180 VanDerWaalsContact O-N 3.07Å; K180-D208 PolarHBondContact NZ-O 2.83Å; K180-K209 VanDerWaalsContact CE-O 3.22Å; K180-K209 WeakPolarHBondContact CE-O 3.32Å; K180-K209 PolarHBondContact NZ-O 3.08Å; K180-Y210 PolarHBondContact NZ-O 3.05Å; K180-H211 WeakPolarHBondContact O-CB 3.32Å
181	R	97.2	Very high	95.4	Very high	69 Å²	69	30.9 Å²	30.9	26%	0.26	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-109.3	1.8	172.2	-56.5	-67.1	-71.3	175.7	-4.3	112.3	M149 T151 L152 Y177 P178 T179	M149-R181 PolarHBondContact O-NE 3.16Å; M149-R181 PolarHBondContact O-NH2 3.2Å; T151-R181 WeakPolarHBondContact CA-O 3.37Å; T151-R181 VanDerWaalsContact CG2-CZ 3.42Å; L152-R181 PolarHBondContact N-O 2.86Å; Y177-R181 HydrophobicContact CE1-CB 4.17Å; P178-R181 HydrophobicContact CB-CB 4.42Å; P178-R181 HydrophobicContact CB-CG 3.91Å; P178-R181 WeakPolarHBondContact O-CA 3.21Å; P178-R181 WeakPolarHBondContact O-CB 3.45Å; P178-R181 PolarHBondContact O-N 3.46Å; T179-R181 PolarHBondContact O-N 3.16Å; T179-R181 VanDerWaalsContact O-N 3.17Å
182	I	98.5	Very high	94.9	Very high	3 Å²	3	35 Å²	35	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.2	-176.4	-57.4	177.1	0	0	0	110.6	L152 I154 Y177 T179 L184 Y210 H211	L152-I182 HydrophobicContact CB-CG1 4.42Å; L152-I182 HydrophobicContact CD2-CG1 4.32Å; L152-I182 CarbonylContact O-C 3.6Å; L152-I182 WeakPolarHBondContact O-CA 3.47Å; I154-I182 HydrophobicContact CD1-CG2 3.76Å; I154-I182 HydrophobicContact CG1-CG2 4.08Å; Y177-I182 HydrophobicContact CD1-CD1 3.91Å; Y177-I182 HydrophobicContact CD1-CG1 3.77Å; Y177-I182 HydrophobicContact CE1-CG1 4.36Å; T179-I182 PolarHBondContact O-N 2.8Å; I182-L184 HydrophobicContact CG2-CG 4.16Å; I182-Y210 HydrophobicContact CB-CD1 3.87Å; I182-Y210 HydrophobicContact CB-CE1 4.23Å; I182-Y210 HydrophobicContact CD1-CE1 4.18Å; I182-Y210 HydrophobicContact CG2-CD1 3.85Å; I182-Y210 HydrophobicContact CG2-CE1 4.02Å; I182-H211 VanDerWaalsContact O-CB 3.3Å; I182-H211 WeakPolarHBondContact O-CB 3.36Å; I182-H211 PolarHBondContact O-N 2.87Å; I182-H211 VanDerWaalsContact O-N 3.16Å
183	T	98.6	Very high	94.6	Very high	12 Å²	12	36.4 Å²	36.4	7%	0.074	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.5	162.8	-63.7	0	0	0	0	109.4	L152 C153 I154 I185 R212 I214 I253	L152-T183 PolarHBondContact O-N 3.06Å; C153-T183 CarbonylContact C-O 3.56Å; C153-T183 WeakPolarHBondContact CA-O 3.26Å; I154-T183 PolarHBondContact N-O 2.95Å; T183-I185 HydrophobicContact CG2-CG1 4.1Å; T183-R212 WeakPolarHBondContact CA-O 3.42Å; T183-R212 HydrophobicContact CG2-CB 4.08Å; T183-I214 HydrophobicContact CG2-CD1 4.48Å; T183-I253 HydrophobicContact CG2-CD1 3.64Å
184	L	98.7	Very high	94.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.3	174.2	-76.2	158.8	0	0	0	110	I154 I172 I182 F186 W202 Y210 R212 I213 I214	I154-L184 HydrophobicContact CB-CD2 3.75Å; I154-L184 HydrophobicContact CD1-CD2 4.1Å; I154-L184 HydrophobicContact CG1-CD2 4.41Å; I154-L184 HydrophobicContact CG2-CD2 3.95Å; I172-L184 HydrophobicContact CG2-CD1 4.39Å; I172-L184 HydrophobicContact CG2-CD2 3.96Å; I182-L184 HydrophobicContact CG2-CG 4.16Å; L184-F186 HydrophobicContact CB-CE2 3.9Å; L184-F186 HydrophobicContact CD1-CE2 4.47Å; L184-F186 HydrophobicContact CD2-CE2 4.37Å; L184-F186 HydrophobicContact CD2-CZ 4.17Å; L184-F186 HydrophobicContact CG-CE2 4.5Å; L184-W202 HydrophobicContact CD1-CH2 3.67Å; L184-W202 HydrophobicContact CD1-CZ3 4.08Å; L184-Y210 HydrophobicContact CD1-CD1 3.6Å; L184-Y210 HydrophobicContact CD1-CD2 4.06Å; L184-Y210 HydrophobicContact CD1-CE1 3.58Å; L184-Y210 HydrophobicContact CD1-CE2 4.02Å; L184-Y210 HydrophobicContact CD1-CG 3.87Å; L184-Y210 HydrophobicContact CG-CD1 4.32Å; L184-Y210 HydrophobicContact CG-CE1 4.4Å; L184-R212 PolarHBondContact N-O 2.82Å; L184-I213 HydrophobicContact CB-CG1 4.33Å; L184-I213 HydrophobicContact CB-CG2 4.09Å; L184-I213 HydrophobicContact CD1-CD1 4.32Å; L184-I213 HydrophobicContact CD1-CG1 4.25Å; L184-I213 CarbonylContact O-C 3.57Å; L184-I213 WeakPolarHBondContact O-CA 3.43Å; L184-I214 PolarHBondContact O-N 2.74Å
185	I	98.4	Very high	94.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	116.1	175.3	-48.8	-175	0	0	0	109.1	I154 V156 T183 Y187 I214 L246 E249	I154-I185 PolarHBondContact O-N 3.4Å; V156-I185 PolarHBondContact N-O 3.5Å; T183-I185 HydrophobicContact CG2-CG1 4.1Å; I185-Y187 HydrophobicContact CG2-CD1 3.98Å; I185-Y187 HydrophobicContact CG2-CE1 3.48Å; I185-Y187 VanDerWaalsContact CG2-CE1 3.48Å; I185-I214 WeakPolarHBondContact CA-O 3.24Å; I185-I214 HydrophobicContact CD1-CD1 4.22Å; I185-I214 HydrophobicContact CG1-CB 4.37Å; I185-I214 HydrophobicContact CG1-CD1 4.15Å; I185-I214 HydrophobicContact CG2-CB 4.27Å; I185-I214 HydrophobicContact CG2-CG2 4.27Å; I185-L246 HydrophobicContact CB-CD2 3.9Å; I185-L246 HydrophobicContact CG2-CD2 3.56Å; I185-E249 HydrophobicContact CD1-CB 3.63Å; I185-E249 HydrophobicContact CD1-CG 4.41Å
186	F	98.2	Very high	94.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.6	176.4	-64.1	-81.3	0	0	0	110	V156 V158 F168 L169 L184 L199 W202 I213 I214 L215 E216	V156-F186 HydrophobicContact CB-CD1 3.69Å; V156-F186 HydrophobicContact CB-CE1 3.92Å; V156-F186 HydrophobicContact CG1-CD1 4.08Å; V156-F186 HydrophobicContact CG1-CE1 4.18Å; V156-F186 HydrophobicContact CG2-CD1 4.05Å; V156-F186 HydrophobicContact CG2-CE1 3.81Å; V156-F186 WeakPolarHBondContact O-CA 3.43Å; V158-F186 HydrophobicContact CG2-CD1 4.14Å; F168-F186 HydrophobicContact CE1-CE1 4.06Å; L169-F186 HydrophobicContact CD2-CE1 4.11Å; L169-F186 HydrophobicContact CD2-CZ 3.84Å; L184-F186 HydrophobicContact CB-CE2 3.9Å; L184-F186 HydrophobicContact CD1-CE2 4.47Å; L184-F186 HydrophobicContact CD2-CE2 4.37Å; L184-F186 HydrophobicContact CD2-CZ 4.17Å; L184-F186 HydrophobicContact CG-CE2 4.5Å; F186-L199 HydrophobicContact CB-CD1 4.4Å; F186-L199 HydrophobicContact CD1-CD1 4.49Å; F186-L199 HydrophobicContact CD1-CD2 3.71Å; F186-L199 HydrophobicContact CD2-CD2 4.48Å; F186-L199 HydrophobicContact CE1-CD2 3.81Å; F186-L199 HydrophobicContact CG-CD2 4.07Å; F186-L199 HydrophobicContact CZ-CD2 4.25Å; F186-W202 HydrophobicContact CE2-CZ3 4.14Å; F186-W202 HydrophobicContact CZ-CZ3 4.28Å; F186-I213 HydrophobicContact CD2-CG2 4.07Å; F186-I213 HydrophobicContact CE2-CG2 3.99Å; F186-I214 PolarHBondContact N-O 2.8Å; F186-L215 HydrophobicContact CB-CD1 3.8Å; F186-E216 PolarHBondContact O-N 3.45Å
187	Y	97	Very high	94.5	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.027	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	110.1	168.5	-66.7	-14.2	0	0	0	109.9	V156 L157 V158 I185 E216 K245 L246 E249	V156-Y187 PolarHBondContact O-N 2.73Å; L157-Y187 HydrophobicContact CD2-CD2 4.02Å; L157-Y187 HydrophobicContact CD2-CG 4.38Å; V158-Y187 PolarHBondContact N-O 2.95Å; I185-Y187 HydrophobicContact CG2-CD1 3.98Å; I185-Y187 HydrophobicContact CG2-CE1 3.48Å; I185-Y187 VanDerWaalsContact CG2-CE1 3.48Å; Y187-E216 WeakPolarHBondContact CA-O 3.29Å; Y187-E216 HydrophobicContact CD1-CB 3.48Å; Y187-E216 VanDerWaalsContact CD1-CB 3.48Å; Y187-E216 HydrophobicContact CD1-CG 4.48Å; Y187-E216 HydrophobicContact CE1-CB 3.68Å; Y187-K245 HydrophobicContact CE2-CB 3.97Å; Y187-K245 HydrophobicContact CE2-CD 3.63Å; Y187-K245 HydrophobicContact CE2-CG 3.72Å; Y187-K245 VanDerWaalsContact OH-CE 3.24Å; Y187-K245 WeakPolarHBondContact OH-CE 3.5Å; Y187-K245 WeakPolarHBondContact OH-CG 3.46Å; Y187-L246 HydrophobicContact CD1-CD2 4.28Å; Y187-L246 HydrophobicContact CD2-CD1 4.44Å; Y187-L246 HydrophobicContact CD2-CD2 3.6Å; Y187-L246 HydrophobicContact CD2-CG 3.66Å; Y187-L246 HydrophobicContact CE1-CD2 4.25Å; Y187-L246 HydrophobicContact CE2-CD2 3.52Å; Y187-L246 HydrophobicContact CE2-CG 3.66Å; Y187-L246 HydrophobicContact CG-CD2 3.99Å; Y187-L246 HydrophobicContact CG-CG 4.44Å; Y187-E249 VanDerWaalsContact OH-CG 3.31Å; Y187-E249 WeakPolarHBondContact OH-CG 3.47Å
188	V	94.6	Very high	94.6	Very high	3 Å²	3	37 Å²	37	2%	0.018	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	116.5	175.3	-177.2	0	0	0	0	108.5	V158 T191 E196 L199 L215 E216 V217 N218	V158-V188 HydrophobicContact CB-CG2 4.16Å; V158-V188 HydrophobicContact CG1-CG2 4.41Å; V158-V188 WeakPolarHBondContact O-CA 3.4Å; V188-T191 HydrophobicContact CG1-CG2 3.85Å; V188-E196 HydrophobicContact CG1-CB 4.42Å; V188-L199 HydrophobicContact CG2-CD1 3.36Å; V188-L215 HydrophobicContact CG2-CD1 3.7Å; V188-E216 PolarHBondContact N-O 3.28Å; V188-V217 HydrophobicContact CB-CG1 4.18Å; V188-V217 HydrophobicContact CB-CG2 4.31Å; V188-V217 HydrophobicContact CG1-CG1 4.27Å; V188-N218 PolarHBondContact O-N 2.98Å
189	D	87.7	Confident	94.7	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.043	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137	-176.7	-179.5	70.7	0	0	0	111.4	V158 R159 T191 N218 H238 L242	V158-D189 PolarHBondContact O-N 2.69Å; R159-D189 WeakPolarHBondContact CB-O 3.34Å; R159-D189 WeakPolarHBondContact CG-O 3.35Å; D189-T191 PolarHBondContact O-N 2.83Å; D189-N218 PolarHBondContact OD1-ND2 3.01Å; D189-H238 IonicContact OD1-CD2 3.72Å; D189-H238 IonicContact OD1-CE1 3.71Å; D189-H238 IonicContact OD1-NE2 2.85Å; D189-H238 PolarHBondContact OD1-NE2 3Å; D189-H238 IonicContact OD2-CD2 3.9Å; D189-H238 PolarHBondContact OD2-CD2 3.46Å; D189-H238 VanDerWaalsContact OD2-CD2 3.3Å; D189-H238 IonicContact OD2-NE2 3.05Å; D189-H238 PolarHBondContact OD2-NE2 3.17Å; D189-L242 HydrophobicContact CB-CD1 3.83Å
190	N	82.3	Confident	94.8	Very high	42 Å²	42	35 Å²	35	23%	0.225	18%	0.178	C	C	.	.	S	Bend	trans	47.3	38.7	168.5	-73.3	-47.7	0	0	0	115.1	R159	R159-N190 PolarHBondContact NE-O 3.5Å
191	T	87.3	Confident	94.8	Very high	37 Å²	37	33.6 Å²	33.6	23%	0.227	17%	0.173	C	C	.	.			trans	-87.1	141.4	-179.1	-148.9	0	0	0	0	111.9	N160 V188 D189 D193 S195	N160-T191 WeakPolarHBondContact CA-OG1 3.35Å; N160-T191 PolarHBondContact N-OG1 2.95Å; N160-T191 WeakPolarHBondContact OD1-CA 3.48Å; N160-T191 PolarHBondContact OD1-OG1 3.4Å; V188-T191 HydrophobicContact CG1-CG2 3.85Å; D189-T191 PolarHBondContact O-N 2.83Å; T191-D193 PolarHBondContact OG1-OD1 2.96Å; T191-S195 PolarHBondContact OG1-OG 3.27Å
192	I	87.1	Confident	94.9	Very high	90 Å²	90	30.3 Å²	30.3	46%	0.462	16%	0.161	S	C	.	.			trans	-116.1	-9.1	173.6	54.5	160.7	0	0	0	113.4	N160 L429	N160-I192 WeakPolarHBondContact OD1-CG1 3.47Å; N160-I192 PolarHBondContact OD1-N 2.84Å; I192-L429 HydrophobicContact CD1-CD2 4.4Å
193	D	92	Very high	94.8	Very high	32 Å²	32	31.1 Å²	31.1	17%	0.171	17%	0.165	C	C	.	.	S	Bend	trans	-98.2	-171.8	176.7	72.5	0	0	0	0	111.4	N160 K161 A162 T191 S195 L429	N160-D193 VanDerWaalsContact CA-CG 3.49Å; N160-D193 WeakPolarHBondContact CA-OD2 3.45Å; K161-D193 PolarHBondContact N-OD2 3.39Å; A162-D193 HydrophobicContact CB-CB 4Å; A162-D193 VanDerWaalsContact CB-CG 3.43Å; A162-D193 WeakPolarHBondContact CB-OD2 3.38Å; A162-D193 PolarHBondContact N-OD2 3.46Å; T191-D193 PolarHBondContact OG1-OD1 2.96Å; D193-S195 VanDerWaalsContact CG-OG 3.3Å; D193-S195 PolarHBondContact O-N 3.38Å; D193-S195 VanDerWaalsContact O-N 3.17Å; D193-S195 VanDerWaalsContact OD1-CB 3.26Å; D193-S195 WeakPolarHBondContact OD1-CB 3.37Å; D193-S195 PolarHBondContact OD1-N 3.19Å; D193-S195 PolarHBondContact OD1-OG 2.68Å; D193-S195 PolarHBondContact OD2-OG 2.89Å; D193-L429 HydrophobicContact CB-CD2 4.22Å
194	S	95	Very high	94.8	Very high	62 Å²	62	35.6 Å²	35.6	43%	0.434	19%	0.185	S	C	.	.	S	Bend	trans	-80.2	18.8	-177.7	-51.1	0	0	0	0	114.7	E196 I197 I198	S194-E196 VanDerWaalsContact C-N 3.34Å; S194-E196 PolarHBondContact O-N 3.26Å; S194-I197 PolarHBondContact O-N 3.01Å; S194-I197 VanDerWaalsContact O-N 3.1Å; S194-I198 WeakPolarHBondContact O-CG1 3.2Å; S194-I198 PolarHBondContact O-N 3.35Å; S194-I198 VanDerWaalsContact O-N 3.08Å
195	S	96.5	Very high	94.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-54.2	-46.5	-174.6	-65.6	0	0	0	0	113.3	K161 A162 T191 D193 I197 I198 L199	K161-S195 PolarHBondContact N-OG 3.31Å; A162-S195 PolarHBondContact N-OG 2.94Å; T191-S195 PolarHBondContact OG1-OG 3.27Å; D193-S195 VanDerWaalsContact CG-OG 3.3Å; D193-S195 PolarHBondContact O-N 3.38Å; D193-S195 VanDerWaalsContact O-N 3.17Å; D193-S195 VanDerWaalsContact OD1-CB 3.26Å; D193-S195 WeakPolarHBondContact OD1-CB 3.37Å; D193-S195 PolarHBondContact OD1-N 3.19Å; D193-S195 PolarHBondContact OD1-OG 2.68Å; D193-S195 PolarHBondContact OD2-OG 2.89Å; S195-I197 VanDerWaalsContact C-N 3.32Å; S195-I197 PolarHBondContact O-N 3.39Å; S195-I198 PolarHBondContact O-N 3.47Å; S195-L199 PolarHBondContact O-N 3.37Å
196	E	95.7	Very high	94.6	Very high	74 Å²	74	38.8 Å²	38.8	35%	0.346	21%	0.206	S	C	.	.	H	α-helix	trans	-60.5	-40.8	178.7	-177.7	-174.3	165.7	0	0	112	V188 S194 N200 V217	V188-E196 HydrophobicContact CG1-CB 4.42Å; S194-E196 VanDerWaalsContact C-N 3.34Å; S194-E196 PolarHBondContact O-N 3.26Å; E196-N200 WeakPolarHBondContact O-CB 3.32Å; E196-N200 PolarHBondContact O-N 3.34Å; E196-N200 PolarHBondContact O-ND2 3.29Å; E196-V217 HydrophobicContact CG-CG1 4.24Å; E196-V217 HydrophobicContact CG-CG2 4.1Å
197	I	95.6	Very high	94.4	Very high	111 Å²	111	43.2 Å²	43.2	57%	0.569	23%	0.226	S	C	*	.	H	α-helix	trans	-66	-45.1	-179.5	-61.8	172	0	0	0	110	S194 S195 N200 E201	S194-I197 PolarHBondContact O-N 3.01Å; S194-I197 VanDerWaalsContact O-N 3.1Å; S195-I197 VanDerWaalsContact C-N 3.32Å; S195-I197 PolarHBondContact O-N 3.39Å; I197-N200 PolarHBondContact O-N 3.42Å; I197-E201 PolarHBondContact O-N 2.99Å
198	I	97.8	Very high	94.4	Very high	3 Å²	3	49 Å²	49	2%	0.015	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-43.4	-178.9	-63.7	178.3	0	0	0	111	A162 L165 P166 S194 S195 E201 W202 L459 I462	A162-I198 HydrophobicContact CB-CD1 3.73Å; A162-I198 VanDerWaalsContact O-CD1 3.23Å; A162-I198 WeakPolarHBondContact O-CD1 3.33Å; L165-I198 HydrophobicContact CB-CG2 3.84Å; L165-I198 HydrophobicContact CD1-CB 4.4Å; L165-I198 HydrophobicContact CD1-CG2 4.43Å; P166-I198 HydrophobicContact CG-CG2 4.19Å; S194-I198 WeakPolarHBondContact O-CG1 3.2Å; S194-I198 PolarHBondContact O-N 3.35Å; S194-I198 VanDerWaalsContact O-N 3.08Å; S195-I198 PolarHBondContact O-N 3.47Å; I198-E201 PolarHBondContact O-N 2.82Å; I198-W202 PolarHBondContact O-N 3.06Å; I198-W202 VanDerWaalsContact O-N 3.1Å; I198-L459 HydrophobicContact CG2-CD1 3.65Å; I198-L459 HydrophobicContact CG2-CD2 4.19Å; I198-I462 HydrophobicContact CD1-CG2 3.78Å; I198-I462 HydrophobicContact CG1-CG2 3.85Å
199	L	97.6	Very high	94.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-48.4	174.5	-81	172.4	0	0	0	111.6	V158 L165 L169 F186 V188 S195 E201 W202 I203 L215	V158-L199 HydrophobicContact CB-CD1 4.29Å; V158-L199 HydrophobicContact CG1-CD1 4.02Å; V158-L199 HydrophobicContact CG2-CD1 4.11Å; L165-L199 HydrophobicContact CD1-CG 4.01Å; L165-L199 HydrophobicContact CD2-CD2 3.83Å; L165-L199 HydrophobicContact CD2-CG 4.14Å; L169-L199 HydrophobicContact CD1-CD2 4.29Å; L169-L199 HydrophobicContact CD2-CD2 4.33Å; F186-L199 HydrophobicContact CB-CD1 4.4Å; F186-L199 HydrophobicContact CD1-CD1 4.49Å; F186-L199 HydrophobicContact CD1-CD2 3.71Å; F186-L199 HydrophobicContact CD2-CD2 4.48Å; F186-L199 HydrophobicContact CE1-CD2 3.81Å; F186-L199 HydrophobicContact CG-CD2 4.07Å; F186-L199 HydrophobicContact CZ-CD2 4.25Å; V188-L199 HydrophobicContact CG2-CD1 3.36Å; S195-L199 PolarHBondContact O-N 3.37Å; L199-E201 VanDerWaalsContact C-N 3.32Å; L199-E201 PolarHBondContact O-N 3.43Å; L199-W202 PolarHBondContact O-N 2.93Å; L199-I203 WeakPolarHBondContact O-CB 3.37Å; L199-I203 WeakPolarHBondContact O-CG1 3.43Å; L199-I203 PolarHBondContact O-N 2.68Å; L199-L215 HydrophobicContact CD1-CD1 4.1Å
200	N	97.4	Very high	94.9	Very high	58 Å²	58	53.2 Å²	53.2	31%	0.31	28%	0.275	S	S	.	.	H	α-helix	trans	-58.9	-43.2	179.1	-84.7	-61.8	0	0	0	112.1	E196 I197 I203 Q204 L215	E196-N200 WeakPolarHBondContact O-CB 3.32Å; E196-N200 PolarHBondContact O-N 3.34Å; E196-N200 PolarHBondContact O-ND2 3.29Å; I197-N200 PolarHBondContact O-N 3.42Å; N200-I203 PolarHBondContact O-N 3.24Å; N200-Q204 WeakPolarHBondContact O-CG 3.46Å; N200-Q204 PolarHBondContact O-N 3.18Å; N200-L215 WeakPolarHBondContact OD1-CD2 3.41Å
201	E	97.6	Very high	95.6	Very high	95 Å²	95	57.2 Å²	57.2	44%	0.444	29%	0.292	S	S	.	.	H	α-helix	trans	-58.8	-50	176.7	-169.8	72.5	-178.2	0	0	111.2	I197 I198 L199 I203 Q204 C205 L459 I462	I197-E201 PolarHBondContact O-N 2.99Å; I198-E201 PolarHBondContact O-N 2.82Å; L199-E201 VanDerWaalsContact C-N 3.32Å; L199-E201 PolarHBondContact O-N 3.43Å; E201-I203 PolarHBondContact O-N 3.26Å; E201-Q204 PolarHBondContact O-N 3.1Å; E201-C205 PolarHBondContact O-N 2.86Å; E201-L459 HydrophobicContact CB-CD2 3.92Å; E201-L459 HydrophobicContact CG-CD2 3.89Å; E201-I462 HydrophobicContact CB-CD1 4.26Å; E201-I462 HydrophobicContact CG-CD1 4.03Å
202	W	98.3	Very high	96.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-39.6	178.5	-178.4	91	0	0	0	112.9	L169 L184 F186 I198 L199 Q204 C205 N206 Y210 I213 S456 L459	L169-W202 HydrophobicContact CB-CD2 4.27Å; L169-W202 HydrophobicContact CB-CG 4.16Å; L169-W202 HydrophobicContact CD1-CB 3.74Å; L169-W202 HydrophobicContact CD1-CD2 4.05Å; L169-W202 HydrophobicContact CD1-CG 3.63Å; L169-W202 HydrophobicContact CD2-CD2 3.83Å; L169-W202 HydrophobicContact CD2-CE3 3.91Å; L169-W202 HydrophobicContact CD2-CG 4.31Å; L169-W202 HydrophobicContact CD2-CH2 4.41Å; L169-W202 HydrophobicContact CD2-CZ2 4.32Å; L169-W202 HydrophobicContact CD2-CZ3 4.2Å; L169-W202 HydrophobicContact CG-CD2 4.25Å; L169-W202 HydrophobicContact CG-CG 4.23Å; L184-W202 HydrophobicContact CD1-CH2 3.67Å; L184-W202 HydrophobicContact CD1-CZ3 4.08Å; F186-W202 HydrophobicContact CE2-CZ3 4.14Å; F186-W202 HydrophobicContact CZ-CZ3 4.28Å; I198-W202 PolarHBondContact O-N 3.06Å; I198-W202 VanDerWaalsContact O-N 3.1Å; L199-W202 PolarHBondContact O-N 2.93Å; W202-Q204 VanDerWaalsContact C-N 3.32Å; W202-Q204 PolarHBondContact O-N 3Å; W202-C205 PolarHBondContact O-N 3.16Å; W202-N206 HydrophobicContact CD2-CB 4.31Å; W202-N206 HydrophobicContact CE3-CB 4.45Å; W202-N206 HydrophobicContact CH2-CB 4.11Å; W202-N206 HydrophobicContact CZ2-CB 3.98Å; W202-N206 HydrophobicContact CZ3-CB 4.36Å; W202-N206 PolarHBondContact NE1-ND2 2.79Å; W202-N206 VanDerWaalsContact NE1-ND2 3.18Å; W202-N206 WeakPolarHBondContact O-CB 3.42Å; W202-N206 PolarHBondContact O-N 2.99Å; W202-N206 PolarHBondContact O-ND2 3.17Å; W202-Y210 HydrophobicContact CH2-CD2 4.37Å; W202-Y210 AromaticContact CH2-CE2 3.71Å; W202-Y210 HydrophobicContact CH2-CE2 3.71Å; W202-Y210 HydrophobicContact CZ2-CE2 4.03Å; W202-I213 HydrophobicContact CH2-CD1 4.38Å; W202-I213 HydrophobicContact CZ3-CD1 3.93Å; W202-S456 PolarHBondContact NE1-OG 3.38Å; W202-L459 HydrophobicContact CB-CD1 3.95Å; W202-L459 HydrophobicContact CB-CD2 4.23Å; W202-L459 HydrophobicContact CB-CG 4.23Å; W202-L459 HydrophobicContact CG-CD1 4.38Å
203	I	98	Very high	96.7	Very high	19 Å²	19	59 Å²	59	10%	0.097	29%	0.29	C	S	.	.	H	α-helix	trans	-61.5	-42.1	176.8	-70.7	169.5	0	0	0	110.1	L199 N200 E201 C205 N206 K207 I213 L215	L199-I203 WeakPolarHBondContact O-CB 3.37Å; L199-I203 WeakPolarHBondContact O-CG1 3.43Å; L199-I203 PolarHBondContact O-N 2.68Å; N200-I203 PolarHBondContact O-N 3.24Å; E201-I203 PolarHBondContact O-N 3.26Å; I203-C205 PolarHBondContact O-N 3.34Å; I203-N206 PolarHBondContact O-N 3.08Å; I203-K207 HydrophobicContact CG2-CB 4.41Å; I203-K207 VanDerWaalsContact O-CB 3.24Å; I203-K207 WeakPolarHBondContact O-CB 3.44Å; I203-K207 PolarHBondContact O-N 3.41Å; I203-I213 HydrophobicContact CD1-CG2 4.13Å; I203-I213 HydrophobicContact CG1-CG2 3.99Å; I203-L215 HydrophobicContact CD1-CB 3.91Å; I203-L215 HydrophobicContact CD1-CD2 3.97Å; I203-L215 HydrophobicContact CD1-CG 4.36Å
204	Q	97	Very high	96.9	Very high	107 Å²	107	59 Å²	59	50%	0.5	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-34.8	177.5	-69.2	-48.6	-42.2	0	0	112.6	N200 E201 W202	N200-Q204 WeakPolarHBondContact O-CG 3.46Å; N200-Q204 PolarHBondContact O-N 3.18Å; E201-Q204 PolarHBondContact O-N 3.1Å; W202-Q204 VanDerWaalsContact C-N 3.32Å; W202-Q204 PolarHBondContact O-N 3Å
205	C	96.7	Very high	97	Very high	65 Å²	65	58.3 Å²	58.3	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-77.5	-25.5	178	-62.8	0	0	0	0	113.9	E201 W202 I203 C458	E201-C205 PolarHBondContact O-N 2.86Å; W202-C205 PolarHBondContact O-N 3.16Å; I203-C205 PolarHBondContact O-N 3.34Å; C205-C458 HydrophobicContact CB-CB 3.63Å; C205-C458 WeakPolarHBondContact SG-CB 3.48Å
206	N	96.6	Very high	96.9	Very high	1 Å²	1	62 Å²	62	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-119.9	-8.6	-168.5	-69.5	-75.7	0	0	0	115.5	W202 I203 D208 K209 Y210	W202-N206 HydrophobicContact CD2-CB 4.31Å; W202-N206 HydrophobicContact CE3-CB 4.45Å; W202-N206 HydrophobicContact CH2-CB 4.11Å; W202-N206 HydrophobicContact CZ2-CB 3.98Å; W202-N206 HydrophobicContact CZ3-CB 4.36Å; W202-N206 PolarHBondContact NE1-ND2 2.79Å; W202-N206 VanDerWaalsContact NE1-ND2 3.18Å; W202-N206 WeakPolarHBondContact O-CB 3.42Å; W202-N206 PolarHBondContact O-N 2.99Å; W202-N206 PolarHBondContact O-ND2 3.17Å; I203-N206 PolarHBondContact O-N 3.08Å; N206-D208 PolarHBondContact O-N 3.31Å; N206-K209 WeakPolarHBondContact O-CB 3.36Å; N206-K209 PolarHBondContact O-N 3.02Å; N206-K209 WeakPolarHBondContact OD1-CD 3.37Å; N206-K209 WeakPolarHBondContact OD1-CE 3.34Å; N206-K209 PolarHBondContact OD1-NZ 3.2Å; N206-Y210 HydrophobicContact CB-CD2 4.35Å; N206-Y210 HydrophobicContact CB-CE2 4.2Å
207	K	95.1	Very high	96.8	Very high	93 Å²	93	60.4 Å²	60.4	40%	0.404	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-36.7	-176.8	63	-173.8	-179.3	-169.4	0	114.2	I203	I203-K207 HydrophobicContact CG2-CB 4.41Å; I203-K207 VanDerWaalsContact O-CB 3.24Å; I203-K207 WeakPolarHBondContact O-CB 3.44Å; I203-K207 PolarHBondContact O-N 3.41Å
208	D	95.9	Very high	96.2	Very high	128 Å²	128	57.6 Å²	57.6	68%	0.684	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.6	-176.6	-58.9	-45.9	0	0	0	113.1	K180 N206	K180-D208 PolarHBondContact NZ-O 2.83Å; N206-D208 PolarHBondContact O-N 3.31Å
209	K	96	Very high	94.3	Very high	95 Å²	95	62.1 Å²	62.1	41%	0.413	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-44.9	176.7	-62.5	-175.9	-171.8	166.9	0	111.3	E173 T179 K180 N206	E173-K209 IonicContact OE1-NZ 2.72Å; E173-K209 PolarHBondContact OE1-NZ 3.02Å; T179-K209 PolarHBondContact OG1-O 2.56Å; K180-K209 VanDerWaalsContact CE-O 3.22Å; K180-K209 WeakPolarHBondContact CE-O 3.32Å; K180-K209 PolarHBondContact NZ-O 3.08Å; N206-K209 WeakPolarHBondContact O-CB 3.36Å; N206-K209 PolarHBondContact O-N 3.02Å; N206-K209 WeakPolarHBondContact OD1-CD 3.37Å; N206-K209 WeakPolarHBondContact OD1-CE 3.34Å; N206-K209 PolarHBondContact OD1-NZ 3.2Å
210	Y	97.7	Very high	92.1	Very high	6 Å²	6	65.3 Å²	65.3	2%	0.024	33%	0.327	C	S	.	.	S	Bend	trans	-79.2	168.8	-175	-71	-90	0	0	0	113.1	I172 E173 T179 K180 I182 L184 W202 N206 I213	I172-Y210 PolarHBondContact O-OH 2.89Å; E173-Y210 WeakPolarHBondContact CA-OH 3.22Å; T179-Y210 HydrophobicContact CG2-CD1 4.26Å; T179-Y210 HydrophobicContact CG2-CE1 3.88Å; T179-Y210 CarbonylContact O-C 3.56Å; T179-Y210 WeakPolarHBondContact O-CA 3.22Å; K180-Y210 PolarHBondContact NZ-O 3.05Å; I182-Y210 HydrophobicContact CB-CD1 3.87Å; I182-Y210 HydrophobicContact CB-CE1 4.23Å; I182-Y210 HydrophobicContact CD1-CE1 4.18Å; I182-Y210 HydrophobicContact CG2-CD1 3.85Å; I182-Y210 HydrophobicContact CG2-CE1 4.02Å; L184-Y210 HydrophobicContact CD1-CD1 3.6Å; L184-Y210 HydrophobicContact CD1-CD2 4.06Å; L184-Y210 HydrophobicContact CD1-CE1 3.58Å; L184-Y210 HydrophobicContact CD1-CE2 4.02Å; L184-Y210 HydrophobicContact CD1-CG 3.87Å; L184-Y210 HydrophobicContact CG-CD1 4.32Å; L184-Y210 HydrophobicContact CG-CE1 4.4Å; W202-Y210 HydrophobicContact CH2-CD2 4.37Å; W202-Y210 AromaticContact CH2-CE2 3.71Å; W202-Y210 HydrophobicContact CH2-CE2 3.71Å; W202-Y210 HydrophobicContact CZ2-CE2 4.03Å; N206-Y210 HydrophobicContact CB-CD2 4.35Å; N206-Y210 HydrophobicContact CB-CE2 4.2Å; Y210-I213 HydrophobicContact CD2-CD1 3.89Å; Y210-I213 HydrophobicContact CD2-CG1 4.44Å; Y210-I213 HydrophobicContact CG-CD1 4.28Å; Y210-I213 HydrophobicContact CG-CG1 4.32Å
211	H	97.7	Very high	89.8	Confident	125 Å²	125	70.4 Å²	70.4	58%	0.579	35%	0.347	S	S	*	.	S	Bend	trans	-66.4	-49.9	169.5	178.5	70.9	0	0	0	110.2	T179 K180 I182	T179-H211 PolarHBondContact O-N 2.85Å; K180-H211 WeakPolarHBondContact O-CB 3.32Å; I182-H211 VanDerWaalsContact O-CB 3.3Å; I182-H211 WeakPolarHBondContact O-CB 3.36Å; I182-H211 PolarHBondContact O-N 2.87Å; I182-H211 VanDerWaalsContact O-N 3.16Å
212	R	97.5	Very high	87.4	Confident	133 Å²	133	70.1 Å²	70.1	50%	0.502	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	143.5	179.3	-170.1	174.8	-178.1	-174.1	-4.7	110.2	T183 L184 I214	T183-R212 WeakPolarHBondContact CA-O 3.42Å; T183-R212 HydrophobicContact CG2-CB 4.08Å; L184-R212 PolarHBondContact N-O 2.82Å; R212-I214 HydrophobicContact CG-CG1 4.12Å
213	I	98.1	Very high	85	Confident	31 Å²	31	76.7 Å²	76.7	16%	0.159	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.3	168.1	-49.6	-178.4	0	0	0	107.7	L184 F186 W202 I203 Y210	L184-I213 HydrophobicContact CB-CG1 4.33Å; L184-I213 HydrophobicContact CB-CG2 4.09Å; L184-I213 HydrophobicContact CD1-CD1 4.32Å; L184-I213 HydrophobicContact CD1-CG1 4.25Å; L184-I213 CarbonylContact O-C 3.57Å; L184-I213 WeakPolarHBondContact O-CA 3.43Å; F186-I213 HydrophobicContact CD2-CG2 4.07Å; F186-I213 HydrophobicContact CE2-CG2 3.99Å; W202-I213 HydrophobicContact CH2-CD1 4.38Å; W202-I213 HydrophobicContact CZ3-CD1 3.93Å; I203-I213 HydrophobicContact CD1-CG2 4.13Å; I203-I213 HydrophobicContact CG1-CG2 3.99Å; Y210-I213 HydrophobicContact CD2-CD1 3.89Å; Y210-I213 HydrophobicContact CD2-CG1 4.44Å; Y210-I213 HydrophobicContact CG-CD1 4.28Å; Y210-I213 HydrophobicContact CG-CG1 4.32Å
214	I	97.2	Very high	82.9	Confident	32 Å²	32	79.6 Å²	79.6	16%	0.164	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.4	176.7	-62.1	164	0	0	0	107.4	T183 L184 I185 F186 R212	T183-I214 HydrophobicContact CG2-CD1 4.48Å; L184-I214 PolarHBondContact O-N 2.74Å; I185-I214 WeakPolarHBondContact CA-O 3.24Å; I185-I214 HydrophobicContact CD1-CD1 4.22Å; I185-I214 HydrophobicContact CG1-CB 4.37Å; I185-I214 HydrophobicContact CG1-CD1 4.15Å; I185-I214 HydrophobicContact CG2-CB 4.27Å; I185-I214 HydrophobicContact CG2-CG2 4.27Å; F186-I214 PolarHBondContact N-O 2.8Å; R212-I214 HydrophobicContact CG-CG1 4.12Å
215	L	97.1	Very high	80.5	Confident	48 Å²	48	81.5 Å²	81.5	25%	0.251	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.6	171.3	175.8	65.6	0	0	0	108	F186 V188 L199 N200 I203 V217	F186-L215 HydrophobicContact CB-CD1 3.8Å; V188-L215 HydrophobicContact CG2-CD1 3.7Å; L199-L215 HydrophobicContact CD1-CD1 4.1Å; N200-L215 WeakPolarHBondContact OD1-CD2 3.41Å; I203-L215 HydrophobicContact CD1-CB 3.91Å; I203-L215 HydrophobicContact CD1-CD2 3.97Å; I203-L215 HydrophobicContact CD1-CG 4.36Å; L215-V217 HydrophobicContact CD1-CG2 4.13Å; L215-V217 HydrophobicContact CD2-CG2 4.08Å; L215-V217 HydrophobicContact CG-CG2 3.86Å
216	E	95.3	Very high	78.3	Confident	77 Å²	77	86.6 Å²	86.6	36%	0.36	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.1	169.3	-163.9	179.7	129.8	0	0	108.8	F186 Y187 V188 K245	F186-E216 PolarHBondContact O-N 3.45Å; Y187-E216 WeakPolarHBondContact CA-O 3.29Å; Y187-E216 HydrophobicContact CD1-CB 3.48Å; Y187-E216 VanDerWaalsContact CD1-CB 3.48Å; Y187-E216 HydrophobicContact CD1-CG 4.48Å; Y187-E216 HydrophobicContact CE1-CB 3.68Å; V188-E216 PolarHBondContact N-O 3.28Å; E216-K245 IonicContact OE1-NZ 2.64Å; E216-K245 PolarHBondContact OE1-NZ 2.86Å; E216-K245 WeakPolarHBondContact OE2-CE 3.4Å; E216-K245 IonicContact OE2-NZ 2.7Å; E216-K245 PolarHBondContact OE2-NZ 3.01Å
217	V	91.9	Very high	76.3	Confident	42 Å²	42	87.6 Å²	87.6	26%	0.255	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	112.3	180	-170.5	0	0	0	0	108.3	V188 E196 L215 T219	V188-V217 HydrophobicContact CB-CG1 4.18Å; V188-V217 HydrophobicContact CB-CG2 4.31Å; V188-V217 HydrophobicContact CG1-CG1 4.27Å; E196-V217 HydrophobicContact CG-CG1 4.24Å; E196-V217 HydrophobicContact CG-CG2 4.1Å; L215-V217 HydrophobicContact CD1-CG2 4.13Å; L215-V217 HydrophobicContact CD2-CG2 4.08Å; L215-V217 HydrophobicContact CG-CG2 3.86Å; V217-T219 HydrophobicContact CB-CG2 4.48Å; V217-T219 HydrophobicContact CG1-CG2 3.65Å; V217-T219 PolarHBondContact O-N 3.47Å
218	N	83	Confident	74.5	Confident	52 Å²	52	85.3 Å²	85.3	28%	0.278	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	101.7	175	-166.8	9.8	0	0	0	109.7	V188 D189 T220	V188-N218 PolarHBondContact O-N 2.98Å; D189-N218 PolarHBondContact OD1-ND2 3.01Å; N218-T220 PolarHBondContact OD1-OG1 3.46Å
219	T	58.4	Low	72.9	Confident	98 Å²	98	81.1 Å²	81.1	60%	0.601	40%	0.399	S	S	*	.			trans	-104.6	0.1	-176.8	51	0	0	0	0	114	V217 K221	V217-T219 HydrophobicContact CB-CG2 4.48Å; V217-T219 HydrophobicContact CG1-CG2 3.65Å; V217-T219 PolarHBondContact O-N 3.47Å; T219-K221 VanDerWaalsContact C-N 3.28Å; T219-K221 PolarHBondContact O-N 3.47Å
220	T	50.7	Low	71.7	Confident	66 Å²	66	79.5 Å²	79.5	41%	0.405	39%	0.394	S	S	.	.			trans	-71.4	83.1	-177.4	39.5	0	0	0	0	111.4	N218 S222	N218-T220 PolarHBondContact OD1-OG1 3.46Å; T220-S222 PolarHBondContact O-N 3.48Å
221	K	50.7	Low	70.8	Confident	165 Å²	165	83.7 Å²	83.7	72%	0.717	41%	0.41	S	S	*	.	H	α-helix	trans	-50.9	-23.9	172.2	-72.4	179.6	177.7	176.7	0	113.2	T219 E225	T219-K221 VanDerWaalsContact C-N 3.28Å; T219-K221 PolarHBondContact O-N 3.47Å; K221-E225 WeakPolarHBondContact O-CB 3.37Å; K221-E225 WeakPolarHBondContact O-CG 3.26Å; K221-E225 PolarHBondContact O-N 3.01Å
222	S	46.9	Very low	70.1	Confident	90 Å²	90	79.9 Å²	79.9	63%	0.629	40%	0.395	S	S	*	.	H	α-helix	trans	-80.8	-30.5	-169.6	58.9	0	0	0	0	115.8	T220	T220-S222 PolarHBondContact O-N 3.48Å
223	E	48.6	Very low	69.6	Low	138 Å²	138	78.4 Å²	78.4	65%	0.645	40%	0.396	S	S	*	.	H	α-helix	trans	-89.8	-24.7	-175.2	-73.9	-176.5	164.6	0	0	112.5
224	Y	52.5	Low	69.1	Low	80 Å²	80	81.6 Å²	81.6	31%	0.314	41%	0.414	S	S	.	.	H	α-helix	trans	-121.1	13.9	-173.8	-60.5	-67.6	0	0	0	113.6	H226 L227	Y224-H226 PolarHBondContact O-N 3.01Å; Y224-L227 HydrophobicContact CD1-CD1 3.29Å; Y224-L227 HydrophobicContact CD1-CG 3.71Å; Y224-L227 HydrophobicContact CE1-CD1 4.1Å; Y224-L227 HydrophobicContact CG-CD1 3.79Å; Y224-L227 HydrophobicContact CG-CG 4.27Å; Y224-L227 WeakPolarHBondContact O-CB 3.25Å; Y224-L227 PolarHBondContact O-N 3.22Å
225	E	47.4	Very low	68.5	Low	147 Å²	147	80.6 Å²	80.6	69%	0.687	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-20	173.3	-120.4	172.2	-158.4	0	0	112.5	K221	K221-E225 WeakPolarHBondContact O-CB 3.37Å; K221-E225 WeakPolarHBondContact O-CG 3.26Å; K221-E225 PolarHBondContact O-N 3.01Å
226	H	49.1	Very low	68.2	Low	171 Å²	171	80.8 Å²	80.8	79%	0.792	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-11.9	175.4	-54.9	-49.6	0	0	0	114.6	Y224 S228	Y224-H226 PolarHBondContact O-N 3.01Å; H226-S228 PolarHBondContact O-N 3.03Å
227	L	55.2	Low	68.1	Low	23 Å²	23	81.3 Å²	81.3	12%	0.12	41%	0.411	C	S	.	.			trans	-69.3	101.1	175.6	-71.2	-173.4	0	0	0	108.7	Y224 K229 D234 H238	Y224-L227 HydrophobicContact CD1-CD1 3.29Å; Y224-L227 HydrophobicContact CD1-CG 3.71Å; Y224-L227 HydrophobicContact CE1-CD1 4.1Å; Y224-L227 HydrophobicContact CG-CD1 3.79Å; Y224-L227 HydrophobicContact CG-CG 4.27Å; Y224-L227 WeakPolarHBondContact O-CB 3.25Å; Y224-L227 PolarHBondContact O-N 3.22Å; L227-K229 PolarHBondContact O-N 2.94Å; L227-D234 HydrophobicContact CD2-CB 3.28Å; L227-H238 HydrophobicContact CD1-CB 4.21Å
228	S	58.8	Low	68	Low	44 Å²	44	79.9 Å²	79.9	31%	0.308	40%	0.401	S	S	.	.			trans	-51.4	132.4	163.3	-178.1	0	0	0	0	108	H226 M230	H226-S228 PolarHBondContact O-N 3.03Å; S228-M230 PolarHBondContact O-N 3.33Å; S228-M230 VanDerWaalsContact OG-CB 3.27Å; S228-M230 WeakPolarHBondContact OG-CB 3.48Å; S228-M230 WeakPolarHBondContact OG-CG 3.41Å; S228-M230 PolarHBondContact OG-N 2.78Å
229	K	61.1	Low	68.5	Low	40 Å²	40	78.1 Å²	78.1	17%	0.174	39%	0.393	C	S	.	.	S	Bend	trans	-74	-4.7	173	-39.9	-169.3	-171.9	177	0	112.3	R159 L227 N425	R159-K229 VanDerWaalsContact NH2-CG 3.33Å; L227-K229 PolarHBondContact O-N 2.94Å; K229-N425 WeakPolarHBondContact CB-OD1 3.28Å; K229-N425 HydrophobicContact CD-CB 3.78Å; K229-N425 WeakPolarHBondContact CD-OD1 3.4Å; K229-N425 HydrophobicContact CG-CB 4.42Å; K229-N425 WeakPolarHBondContact CG-OD1 3.44Å
230	M	71.1	Confident	70.3	Confident	62 Å²	62	73.8 Å²	73.8	31%	0.305	37%	0.366	S	S	.	.	S	Bend	trans	-64.8	159.8	161.7	-55.5	-177.1	69.2	0	0	109.8	S228 T232 H235 L424	S228-M230 PolarHBondContact O-N 3.33Å; S228-M230 VanDerWaalsContact OG-CB 3.27Å; S228-M230 WeakPolarHBondContact OG-CB 3.48Å; S228-M230 WeakPolarHBondContact OG-CG 3.41Å; S228-M230 PolarHBondContact OG-N 2.78Å; M230-T232 PolarHBondContact O-N 2.81Å; M230-H235 PolarHBondContact O-ND1 2.72Å; M230-L424 HydrophobicContact CE-CD1 4.44Å; M230-L424 HydrophobicContact SD-CD1 3.75Å
231	W	77.6	Confident	72.4	Confident	94 Å²	94	73.2 Å²	73.2	36%	0.356	37%	0.365	S	S	.	.			trans	-72.7	71	176.4	-73	106.4	0	0	0	111.7	H235 Y236 V239 W428	W231-H235 AromaticContact CE3-CE1 3.94Å; W231-Y236 HydrophobicContact CB-CD2 4.46Å; W231-Y236 HydrophobicContact CB-CE2 3.61Å; W231-Y236 HydrophobicContact CD2-CE1 4.01Å; W231-Y236 HydrophobicContact CD2-CE2 4.42Å; W231-Y236 AromaticContact CD2-CZ 3.9Å; W231-Y236 AromaticContact CE3-CD1 3.52Å; W231-Y236 HydrophobicContact CE3-CD1 3.52Å; W231-Y236 HydrophobicContact CE3-CD2 4.21Å; W231-Y236 AromaticContact CE3-CE1 3.24Å; W231-Y236 HydrophobicContact CE3-CE1 3.24Å; W231-Y236 AromaticContact CE3-CE2 3.97Å; W231-Y236 HydrophobicContact CE3-CE2 3.97Å; W231-Y236 HydrophobicContact CE3-CG 4.01Å; W231-Y236 AromaticContact CE3-CZ 3.5Å; W231-Y236 VanDerWaalsContact CE3-CZ 3.5Å; W231-Y236 HydrophobicContact CG-CE2 4.35Å; W231-Y236 AromaticContact CZ3-CD1 3.67Å; W231-Y236 HydrophobicContact CZ3-CD1 3.67Å; W231-Y236 AromaticContact CZ3-CE1 3.61Å; W231-Y236 HydrophobicContact CZ3-CE1 3.61Å; W231-Y236 HydrophobicContact CZ3-CG 4.44Å; W231-V239 HydrophobicContact CH2-CG2 4.49Å; W231-V239 HydrophobicContact CZ3-CG2 4.22Å; W231-W428 AromaticContact CD1-CH2 3.49Å; W231-W428 VanDerWaalsContact CD1-CH2 3.49Å; W231-W428 AromaticContact NE1-CH2 3.42Å; W231-W428 AromaticContact NE1-CZ2 3.61Å
232	T	83.6	Confident	74.5	Confident	45 Å²	45	66.3 Å²	66.3	28%	0.276	34%	0.335	S	S	.	.			trans	-81.6	159.8	171.4	57.5	0	0	0	0	110.5	M230 D234 H235 Y236	M230-T232 PolarHBondContact O-N 2.81Å; T232-D234 VanDerWaalsContact C-N 3.27Å; T232-D234 PolarHBondContact O-N 3.22Å; T232-H235 WeakPolarHBondContact O-CB 3.43Å; T232-H235 PolarHBondContact O-N 3.04Å; T232-H235 WeakPolarHBondContact OG1-CB 3.4Å; T232-H235 PolarHBondContact OG1-N 2.96Å; T232-Y236 WeakPolarHBondContact O-CD2 3.24Å; T232-Y236 PolarHBondContact O-N 3.02Å
233	L	88.2	Confident	76.9	Confident	101 Å²	101	63 Å²	63	53%	0.529	31%	0.309	S	S	.	.	H	α-helix	trans	-53.1	-45.7	177.3	177.5	61	0	0	0	112.1	H235 Y236 L237 V380	L233-H235 VanDerWaalsContact C-N 3.29Å; L233-H235 PolarHBondContact O-N 3.23Å; L233-Y236 PolarHBondContact O-N 2.77Å; L233-L237 HydrophobicContact CD1-CD1 4.41Å; L233-L237 HydrophobicContact CD1-CG 4.43Å; L233-L237 HydrophobicContact CG-CD1 4.21Å; L233-L237 WeakPolarHBondContact O-CG 3.43Å; L233-L237 PolarHBondContact O-N 2.78Å; L233-V380 HydrophobicContact CD1-CB 3.5Å; L233-V380 VanDerWaalsContact CD1-CB 3.5Å; L233-V380 HydrophobicContact CD1-CG1 3.67Å; L233-V380 HydrophobicContact CD1-CG2 3.64Å
234	D	86.5	Confident	79.3	Confident	99 Å²	99	57.3 Å²	57.3	53%	0.529	28%	0.282	S	S	.	.	H	α-helix	trans	-64.9	-35.2	179.4	-58.3	-30.3	0	0	0	111.9	L227 T232 L237 H238	L227-D234 HydrophobicContact CD2-CB 3.28Å; T232-D234 VanDerWaalsContact C-N 3.27Å; T232-D234 PolarHBondContact O-N 3.22Å; D234-L237 PolarHBondContact O-N 3Å; D234-H238 WeakPolarHBondContact O-CB 3.45Å; D234-H238 PolarHBondContact O-N 3.07Å
235	H	85.5	Confident	81.4	Confident	10 Å²	10	56.8 Å²	56.8	5%	0.046	28%	0.282	C	S	.	.	H	α-helix	trans	-65.8	-44.7	174.6	-179.6	-169.1	0	0	0	111.1	R159 M230 W231 T232 L233 L237 H238 V239	R159-H235 PolarHBondContact NH1-CD2 2.74Å; R159-H235 VanDerWaalsContact NH1-CD2 3.29Å; R159-H235 PolarHBondContact NH1-CE1 3Å; R159-H235 VanDerWaalsContact NH1-CE1 3.29Å; R159-H235 PolarHBondContact NH1-NE2 3.26Å; M230-H235 PolarHBondContact O-ND1 2.72Å; W231-H235 AromaticContact CE3-CE1 3.94Å; T232-H235 WeakPolarHBondContact O-CB 3.43Å; T232-H235 PolarHBondContact O-N 3.04Å; T232-H235 WeakPolarHBondContact OG1-CB 3.4Å; T232-H235 PolarHBondContact OG1-N 2.96Å; L233-H235 VanDerWaalsContact C-N 3.29Å; L233-H235 PolarHBondContact O-N 3.23Å; H235-L237 PolarHBondContact O-N 3.26Å; H235-H238 WeakPolarHBondContact O-CB 3.44Å; H235-H238 PolarHBondContact O-N 3.21Å; H235-V239 WeakPolarHBondContact O-CG2 3.1Å; H235-V239 PolarHBondContact O-N 3.39Å
236	Y	90.4	Very high	83.8	Confident	53 Å²	53	49.8 Å²	49.8	21%	0.208	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-47.1	174.4	-79.5	-69.8	0	0	0	112.2	W231 T232 L233 H238 V239 I240 V380 D381	W231-Y236 HydrophobicContact CB-CD2 4.46Å; W231-Y236 HydrophobicContact CB-CE2 3.61Å; W231-Y236 HydrophobicContact CD2-CE1 4.01Å; W231-Y236 HydrophobicContact CD2-CE2 4.42Å; W231-Y236 AromaticContact CD2-CZ 3.9Å; W231-Y236 AromaticContact CE3-CD1 3.52Å; W231-Y236 HydrophobicContact CE3-CD1 3.52Å; W231-Y236 HydrophobicContact CE3-CD2 4.21Å; W231-Y236 AromaticContact CE3-CE1 3.24Å; W231-Y236 HydrophobicContact CE3-CE1 3.24Å; W231-Y236 AromaticContact CE3-CE2 3.97Å; W231-Y236 HydrophobicContact CE3-CE2 3.97Å; W231-Y236 HydrophobicContact CE3-CG 4.01Å; W231-Y236 AromaticContact CE3-CZ 3.5Å; W231-Y236 VanDerWaalsContact CE3-CZ 3.5Å; W231-Y236 HydrophobicContact CG-CE2 4.35Å; W231-Y236 AromaticContact CZ3-CD1 3.67Å; W231-Y236 HydrophobicContact CZ3-CD1 3.67Å; W231-Y236 AromaticContact CZ3-CE1 3.61Å; W231-Y236 HydrophobicContact CZ3-CE1 3.61Å; W231-Y236 HydrophobicContact CZ3-CG 4.44Å; T232-Y236 WeakPolarHBondContact O-CD2 3.24Å; T232-Y236 PolarHBondContact O-N 3.02Å; L233-Y236 PolarHBondContact O-N 2.77Å; Y236-H238 VanDerWaalsContact C-N 3.26Å; Y236-H238 PolarHBondContact O-N 3.34Å; Y236-V239 PolarHBondContact O-N 2.95Å; Y236-I240 WeakPolarHBondContact O-CB 3.26Å; Y236-I240 WeakPolarHBondContact O-CD1 3.33Å; Y236-I240 VanDerWaalsContact O-CG1 3.23Å; Y236-I240 WeakPolarHBondContact O-CG1 3.17Å; Y236-I240 PolarHBondContact O-N 2.85Å; Y236-V380 WeakPolarHBondContact CB-O 3.38Å; Y236-V380 WeakPolarHBondContact CD2-O 3.37Å; Y236-D381 HydrophobicContact CD1-CB 4.22Å; Y236-D381 HydrophobicContact CE1-CB 4.03Å; Y236-D381 WeakPolarHBondContact CE1-OD2 3.3Å
237	L	92.5	Very high	86.2	Confident	87 Å²	87	41.7 Å²	41.7	46%	0.455	21%	0.211	S	C	.	.	H	α-helix	trans	-59	-38.7	176.9	-70.4	172.3	0	0	0	112.1	L233 D234 H235 S241 V380	L233-L237 HydrophobicContact CD1-CD1 4.41Å; L233-L237 HydrophobicContact CD1-CG 4.43Å; L233-L237 HydrophobicContact CG-CD1 4.21Å; L233-L237 WeakPolarHBondContact O-CG 3.43Å; L233-L237 PolarHBondContact O-N 2.78Å; D234-L237 PolarHBondContact O-N 3Å; H235-L237 PolarHBondContact O-N 3.26Å; L237-S241 PolarHBondContact O-N 2.99Å; L237-V380 HydrophobicContact CD2-CG1 3.7Å; L237-V380 HydrophobicContact CG-CG1 4.02Å
238	H	91.3	Very high	88.2	Confident	12 Å²	12	43.3 Å²	43.3	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-50.5	175.8	-172.1	56.9	0	0	0	111.9	D189 L227 D234 H235 Y236 I240 S241 L242	D189-H238 IonicContact OD1-CD2 3.72Å; D189-H238 IonicContact OD1-CE1 3.71Å; D189-H238 IonicContact OD1-NE2 2.85Å; D189-H238 PolarHBondContact OD1-NE2 3Å; D189-H238 IonicContact OD2-CD2 3.9Å; D189-H238 PolarHBondContact OD2-CD2 3.46Å; D189-H238 VanDerWaalsContact OD2-CD2 3.3Å; D189-H238 IonicContact OD2-NE2 3.05Å; D189-H238 PolarHBondContact OD2-NE2 3.17Å; L227-H238 HydrophobicContact CD1-CB 4.21Å; D234-H238 WeakPolarHBondContact O-CB 3.45Å; D234-H238 PolarHBondContact O-N 3.07Å; H235-H238 WeakPolarHBondContact O-CB 3.44Å; H235-H238 PolarHBondContact O-N 3.21Å; Y236-H238 VanDerWaalsContact C-N 3.26Å; Y236-H238 PolarHBondContact O-N 3.34Å; H238-I240 VanDerWaalsContact C-N 3.32Å; H238-I240 PolarHBondContact O-N 3.08Å; H238-S241 WeakPolarHBondContact O-CB 3.15Å; H238-S241 PolarHBondContact O-N 2.95Å; H238-S241 VanDerWaalsContact O-N 3.09Å; H238-S241 PolarHBondContact O-OG 2.95Å; H238-L242 WeakPolarHBondContact O-CG 3.48Å; H238-L242 PolarHBondContact O-N 2.89Å
239	V	92.4	Very high	90.1	Very high	15 Å²	15	44 Å²	44	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-43.1	177.6	172.6	0	0	0	0	111.3	L157 W231 H235 Y236 S241 L242 R243 D382	L157-V239 HydrophobicContact CD1-CG1 4.26Å; W231-V239 HydrophobicContact CH2-CG2 4.49Å; W231-V239 HydrophobicContact CZ3-CG2 4.22Å; H235-V239 WeakPolarHBondContact O-CG2 3.1Å; H235-V239 PolarHBondContact O-N 3.39Å; Y236-V239 PolarHBondContact O-N 2.95Å; V239-S241 VanDerWaalsContact C-N 3.31Å; V239-S241 PolarHBondContact O-N 2.99Å; V239-L242 PolarHBondContact O-N 3.33Å; V239-R243 HydrophobicContact CG1-CG 4.41Å; V239-R243 PolarHBondContact O-N 2.95Å; V239-D382 HydrophobicContact CG1-CB 4.29Å
240	I	95.5	Very high	91.8	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-54.2	-47.6	173.7	-76.4	162.6	0	0	0	111	Y236 H238 L242 R243 Q244 Y369 V380 D382 I385	Y236-I240 WeakPolarHBondContact O-CB 3.26Å; Y236-I240 WeakPolarHBondContact O-CD1 3.33Å; Y236-I240 VanDerWaalsContact O-CG1 3.23Å; Y236-I240 WeakPolarHBondContact O-CG1 3.17Å; Y236-I240 PolarHBondContact O-N 2.85Å; H238-I240 VanDerWaalsContact C-N 3.32Å; H238-I240 PolarHBondContact O-N 3.08Å; I240-L242 PolarHBondContact O-N 3.22Å; I240-R243 PolarHBondContact O-N 2.71Å; I240-Q244 WeakPolarHBondContact O-CB 3.22Å; I240-Q244 PolarHBondContact O-N 2.96Å; I240-Y369 WeakPolarHBondContact CG2-O 3.41Å; I240-V380 HydrophobicContact CD1-CG1 3.86Å; I240-D382 HydrophobicContact CG1-CB 3.72Å; I240-I385 HydrophobicContact CD1-CD1 3.53Å
241	S	95.5	Very high	93.1	Very high	54 Å²	54	40.9 Å²	40.9	38%	0.378	20%	0.203	S	C	.	.	H	α-helix	trans	-64.1	-40	179.9	79.6	0	0	0	0	112.4	L237 H238 V239 Q244 K245	L237-S241 PolarHBondContact O-N 2.99Å; H238-S241 WeakPolarHBondContact O-CB 3.15Å; H238-S241 PolarHBondContact O-N 2.95Å; H238-S241 VanDerWaalsContact O-N 3.09Å; H238-S241 PolarHBondContact O-OG 2.95Å; V239-S241 VanDerWaalsContact C-N 3.31Å; V239-S241 PolarHBondContact O-N 2.99Å; S241-Q244 PolarHBondContact O-N 3.26Å; S241-K245 WeakPolarHBondContact O-CB 3.45Å; S241-K245 PolarHBondContact O-N 3.23Å
242	L	95.4	Very high	94	Very high	19 Å²	19	41.6 Å²	41.6	10%	0.099	21%	0.213	C	C	.	.	H	α-helix	trans	-69.1	-41.1	179	-66.2	178.2	0	0	0	111.8	L157 D189 H238 V239 I240 K245 L246	L157-L242 HydrophobicContact CD1-CB 4.01Å; L157-L242 HydrophobicContact CD2-CB 3.73Å; D189-L242 HydrophobicContact CB-CD1 3.83Å; H238-L242 WeakPolarHBondContact O-CG 3.48Å; H238-L242 PolarHBondContact O-N 2.89Å; V239-L242 PolarHBondContact O-N 3.33Å; I240-L242 PolarHBondContact O-N 3.22Å; L242-K245 PolarHBondContact O-N 3.43Å; L242-L246 PolarHBondContact O-N 3.44Å
243	R	97.4	Very high	94.7	Very high	22 Å²	22	41.9 Å²	41.9	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-67.1	-39.8	175.1	-71.5	-158.6	-173.9	-91.3	5.3	112.2	L157 V239 I240 K245 L246 L247 D262 Y369 D382	L157-R243 HydrophobicContact CD1-CG 3.43Å; L157-R243 VanDerWaalsContact CD1-CG 3.43Å; L157-R243 HydrophobicContact CG-CG 4.33Å; V239-R243 HydrophobicContact CG1-CG 4.41Å; V239-R243 PolarHBondContact O-N 2.95Å; I240-R243 PolarHBondContact O-N 2.71Å; R243-K245 VanDerWaalsContact C-N 3.31Å; R243-K245 PolarHBondContact O-N 3.18Å; R243-L246 PolarHBondContact O-N 3.47Å; R243-L247 PolarHBondContact O-N 2.8Å; R243-L247 VanDerWaalsContact O-N 3.14Å; R243-D262 IonicContact CZ-OD1 3.76Å; R243-D262 VanDerWaalsContact CZ-OD1 3.3Å; R243-D262 IonicContact NH1-OD1 3.5Å; R243-D262 PolarHBondContact NH1-OD1 3.1Å; R243-D262 IonicContact NH2-OD1 3.3Å; R243-D262 PolarHBondContact NH2-OD1 3.34Å; R243-D262 IonicContact NH2-OD2 3.9Å; R243-D262 PolarHBondContact NH2-OD2 3.15Å; R243-Y369 HydrophobicContact CB-CD1 3.88Å; R243-Y369 HydrophobicContact CB-CD2 3.58Å; R243-Y369 HydrophobicContact CB-CE1 3.96Å; R243-Y369 HydrophobicContact CB-CE2 3.66Å; R243-Y369 HydrophobicContact CB-CG 3.68Å; R243-Y369 VanDerWaalsContact CD-CZ 3.44Å; R243-Y369 HydrophobicContact CG-CE1 4.3Å; R243-D382 WeakPolarHBondContact CD-OD2 3.49Å; R243-D382 IonicContact CZ-OD2 3.3Å; R243-D382 IonicContact NE-OD2 2.73Å; R243-D382 PolarHBondContact NE-OD2 3.27Å; R243-D382 IonicContact NH2-OD2 3.55Å
244	Q	97.9	Very high	95.1	Very high	17 Å²	17	47.9 Å²	47.9	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-46.6	172.9	-175.7	58.6	46	0	0	110.7	I240 S241 L246 L247 D248 G368 S370	I240-Q244 WeakPolarHBondContact O-CB 3.22Å; I240-Q244 PolarHBondContact O-N 2.96Å; S241-Q244 PolarHBondContact O-N 3.26Å; Q244-L246 VanDerWaalsContact C-N 3.34Å; Q244-L246 PolarHBondContact O-N 3.32Å; Q244-L247 WeakPolarHBondContact O-CB 3.45Å; Q244-L247 PolarHBondContact O-N 3.06Å; Q244-L247 VanDerWaalsContact O-N 3.14Å; Q244-D248 WeakPolarHBondContact CG-OD2 3.38Å; Q244-D248 VanDerWaalsContact NE2-CG 3.31Å; Q244-D248 PolarHBondContact NE2-OD1 3.02Å; Q244-D248 PolarHBondContact NE2-OD2 3.16Å; Q244-D248 PolarHBondContact O-N 3.03Å; Q244-G368 VanDerWaalsContact OE1-CA 3.29Å; Q244-S370 VanDerWaalsContact CD-O 3.32Å; Q244-S370 PolarHBondContact OE1-O 3.49Å
245	K	97.3	Very high	95.6	Very high	69 Å²	69	43.6 Å²	43.6	30%	0.3	21%	0.207	S	C	.	.	H	α-helix	trans	-58.8	-43.1	179	-172.8	-177.3	174.2	-178.3	0	112.2	Y187 E216 S241 L242 R243 L247 D248 E249	Y187-K245 HydrophobicContact CE2-CB 3.97Å; Y187-K245 HydrophobicContact CE2-CD 3.63Å; Y187-K245 HydrophobicContact CE2-CG 3.72Å; Y187-K245 VanDerWaalsContact OH-CE 3.24Å; Y187-K245 WeakPolarHBondContact OH-CE 3.5Å; Y187-K245 WeakPolarHBondContact OH-CG 3.46Å; E216-K245 IonicContact OE1-NZ 2.64Å; E216-K245 PolarHBondContact OE1-NZ 2.86Å; E216-K245 WeakPolarHBondContact OE2-CE 3.4Å; E216-K245 IonicContact OE2-NZ 2.7Å; E216-K245 PolarHBondContact OE2-NZ 3.01Å; S241-K245 WeakPolarHBondContact O-CB 3.45Å; S241-K245 PolarHBondContact O-N 3.23Å; L242-K245 PolarHBondContact O-N 3.43Å; R243-K245 VanDerWaalsContact C-N 3.31Å; R243-K245 PolarHBondContact O-N 3.18Å; K245-L247 PolarHBondContact O-N 3.41Å; K245-D248 PolarHBondContact O-N 3.04Å; K245-E249 WeakPolarHBondContact O-CG 3.46Å; K245-E249 PolarHBondContact O-N 3.18Å
246	L	98	Very high	96.2	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-43.3	174.8	-75.2	175.4	0	0	0	112.7	L157 I185 Y187 L242 R243 Q244 E249 A250 Y258	L157-L246 HydrophobicContact CD2-CD1 3.47Å; L157-L246 VanDerWaalsContact CD2-CD1 3.47Å; L157-L246 HydrophobicContact CD2-CG 4.17Å; L157-L246 HydrophobicContact CG-CD1 3.77Å; I185-L246 HydrophobicContact CB-CD2 3.9Å; I185-L246 HydrophobicContact CG2-CD2 3.56Å; Y187-L246 HydrophobicContact CD1-CD2 4.28Å; Y187-L246 HydrophobicContact CD2-CD1 4.44Å; Y187-L246 HydrophobicContact CD2-CD2 3.6Å; Y187-L246 HydrophobicContact CD2-CG 3.66Å; Y187-L246 HydrophobicContact CE1-CD2 4.25Å; Y187-L246 HydrophobicContact CE2-CD2 3.52Å; Y187-L246 HydrophobicContact CE2-CG 3.66Å; Y187-L246 HydrophobicContact CG-CD2 3.99Å; Y187-L246 HydrophobicContact CG-CG 4.44Å; L242-L246 PolarHBondContact O-N 3.44Å; R243-L246 PolarHBondContact O-N 3.47Å; Q244-L246 VanDerWaalsContact C-N 3.34Å; Q244-L246 PolarHBondContact O-N 3.32Å; L246-E249 PolarHBondContact O-N 3.07Å; L246-A250 PolarHBondContact O-N 2.89Å; L246-A250 VanDerWaalsContact O-N 3.15Å; L246-Y258 HydrophobicContact CB-CE2 4.4Å; L246-Y258 WeakPolarHBondContact CB-OH 3.38Å
247	L	98.2	Very high	96.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-42.5	177.2	177.9	61.1	0	0	0	111.5	R243 Q244 K245 A250 R251 Y258 L359	R243-L247 PolarHBondContact O-N 2.8Å; R243-L247 VanDerWaalsContact O-N 3.14Å; Q244-L247 WeakPolarHBondContact O-CB 3.45Å; Q244-L247 PolarHBondContact O-N 3.06Å; Q244-L247 VanDerWaalsContact O-N 3.14Å; K245-L247 PolarHBondContact O-N 3.41Å; L247-A250 WeakPolarHBondContact O-CB 3.5Å; L247-A250 PolarHBondContact O-N 2.89Å; L247-R251 PolarHBondContact O-N 3.4Å; L247-R251 VanDerWaalsContact O-N 3.16Å; L247-Y258 HydrophobicContact CB-CE1 4.28Å; L247-Y258 HydrophobicContact CD1-CD1 3.59Å; L247-Y258 HydrophobicContact CD1-CE1 3.97Å; L247-Y258 HydrophobicContact CD1-CG 4.2Å; L247-L359 HydrophobicContact CD1-CD2 4.22Å
248	D	98.1	Very high	96.9	Very high	58 Å²	58	38.5 Å²	38.5	31%	0.31	18%	0.184	S	C	.	.	H	α-helix	trans	-66	-40.1	177.9	-68.2	-22.2	0	0	0	111.8	Q244 K245 A250 R251 N252	Q244-D248 WeakPolarHBondContact CG-OD2 3.38Å; Q244-D248 VanDerWaalsContact NE2-CG 3.31Å; Q244-D248 PolarHBondContact NE2-OD1 3.02Å; Q244-D248 PolarHBondContact NE2-OD2 3.16Å; Q244-D248 PolarHBondContact O-N 3.03Å; K245-D248 PolarHBondContact O-N 3.04Å; D248-A250 VanDerWaalsContact C-N 3.31Å; D248-A250 PolarHBondContact O-N 3.17Å; D248-R251 PolarHBondContact O-N 2.94Å; D248-R251 IonicContact OD1-NH1 3.21Å; D248-R251 PolarHBondContact OD1-NH1 3.45Å; D248-N252 WeakPolarHBondContact O-CB 3.37Å; D248-N252 PolarHBondContact O-N 3.38Å; D248-N252 PolarHBondContact O-ND2 3.24Å
249	E	97.7	Very high	97.3	Very high	58 Å²	58	38.1 Å²	38.1	27%	0.271	18%	0.182	S	C	.	.	H	α-helix	trans	-60	-41.1	173.2	-74.5	-58.9	144.9	0	0	111.8	I185 Y187 K245 L246 R251 N252 I253	I185-E249 HydrophobicContact CD1-CB 3.63Å; I185-E249 HydrophobicContact CD1-CG 4.41Å; Y187-E249 VanDerWaalsContact OH-CG 3.31Å; Y187-E249 WeakPolarHBondContact OH-CG 3.47Å; K245-E249 WeakPolarHBondContact O-CG 3.46Å; K245-E249 PolarHBondContact O-N 3.18Å; L246-E249 PolarHBondContact O-N 3.07Å; E249-R251 VanDerWaalsContact C-N 3.32Å; E249-R251 PolarHBondContact O-N 2.92Å; E249-N252 PolarHBondContact O-N 2.92Å; E249-I253 WeakPolarHBondContact O-CG1 3.45Å; E249-I253 WeakPolarHBondContact O-CG2 3.33Å; E249-I253 PolarHBondContact O-N 2.91Å
250	A	98.4	Very high	97.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-41.3	176.3	0	0	0	0	0	112.2	C153 L246 L247 D248 I253 W254 A255 Y258 L359	C153-A250 HydrophobicContact CB-CB 3.67Å; L246-A250 PolarHBondContact O-N 2.89Å; L246-A250 VanDerWaalsContact O-N 3.15Å; L247-A250 WeakPolarHBondContact O-CB 3.5Å; L247-A250 PolarHBondContact O-N 2.89Å; D248-A250 VanDerWaalsContact C-N 3.31Å; D248-A250 PolarHBondContact O-N 3.17Å; A250-I253 WeakPolarHBondContact O-CG1 3.47Å; A250-W254 PolarHBondContact O-N 2.92Å; A250-A255 WeakPolarHBondContact O-CB 3.3Å; A250-A255 PolarHBondContact O-N 3.36Å; A250-A255 VanDerWaalsContact O-N 3.08Å; A250-Y258 HydrophobicContact CB-CD2 3.58Å; A250-Y258 HydrophobicContact CB-CE2 4.36Å; A250-Y258 HydrophobicContact CB-CG 3.95Å; A250-L359 HydrophobicContact CB-CD1 3.96Å
251	R	97.9	Very high	97.7	Very high	37 Å²	37	37 Å²	37	14%	0.14	18%	0.176	C	C	.	.	H	α-helix	trans	-66.5	-45.7	173.5	-66.9	173	179.1	148.9	-8.1	111.8	L247 D248 E249 I253 W254 L359 S364 E365 I367	L247-R251 PolarHBondContact O-N 3.4Å; L247-R251 VanDerWaalsContact O-N 3.16Å; D248-R251 PolarHBondContact O-N 2.94Å; D248-R251 IonicContact OD1-NH1 3.21Å; D248-R251 PolarHBondContact OD1-NH1 3.45Å; E249-R251 VanDerWaalsContact C-N 3.32Å; E249-R251 PolarHBondContact O-N 2.92Å; R251-I253 PolarHBondContact O-N 3.41Å; R251-W254 PolarHBondContact O-N 2.99Å; R251-L359 HydrophobicContact CG-CD1 4.46Å; R251-L359 HydrophobicContact CG-CD2 4.3Å; R251-S364 PolarHBondContact NH2-O 3.11Å; R251-E365 IonicContact NE-OE2 3.61Å; R251-I367 PolarHBondContact NH2-O 3.41Å
252	N	97.3	Very high	97.8	Very high	109 Å²	109	35.8 Å²	35.8	58%	0.583	17%	0.165	S	C	*	.	H	α-helix	trans	-62.2	-30.8	-177.8	-72	-26.3	0	0	0	113	D248 E249 W254	D248-N252 WeakPolarHBondContact O-CB 3.37Å; D248-N252 PolarHBondContact O-N 3.38Å; D248-N252 PolarHBondContact O-ND2 3.24Å; E249-N252 PolarHBondContact O-N 2.92Å; N252-W254 VanDerWaalsContact C-N 3.34Å
253	I	96.8	Very high	97.9	Very high	50 Å²	50	35 Å²	35	26%	0.256	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	4.8	175	71.8	177.6	0	0	0	113.7	C153 T183 E249 A250 R251 A255	C153-I253 HydrophobicContact CB-CD1 4.13Å; T183-I253 HydrophobicContact CG2-CD1 3.64Å; E249-I253 WeakPolarHBondContact O-CG1 3.45Å; E249-I253 WeakPolarHBondContact O-CG2 3.33Å; E249-I253 PolarHBondContact O-N 2.91Å; A250-I253 WeakPolarHBondContact O-CG1 3.47Å; R251-I253 PolarHBondContact O-N 3.41Å; I253-A255 VanDerWaalsContact C-N 3.33Å; I253-A255 HydrophobicContact CG1-CB 4.26Å; I253-A255 PolarHBondContact O-N 3.42Å
254	W	96.6	Very high	97.9	Very high	228 Å²	228	35.1 Å²	35.1	86%	0.864	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	42.1	179	-62.6	58.9	0	0	0	112.7	A250 R251 N252	A250-W254 PolarHBondContact O-N 2.92Å; R251-W254 PolarHBondContact O-N 2.99Å; N252-W254 VanDerWaalsContact C-N 3.34Å
255	A	98.2	Very high	97.9	Very high	9 Å²	9	34.3 Å²	34.3	7%	0.074	16%	0.159	C	C	.	.			trans	-67.8	138.5	172.2	0	0	0	0	0	110.3	T151 C153 A250 I253 F257 L359	T151-A255 WeakPolarHBondContact OG1-CA 3.49Å; C153-A255 HydrophobicContact CB-CB 3.68Å; A250-A255 WeakPolarHBondContact O-CB 3.3Å; A250-A255 PolarHBondContact O-N 3.36Å; A250-A255 VanDerWaalsContact O-N 3.08Å; I253-A255 VanDerWaalsContact C-N 3.33Å; I253-A255 HydrophobicContact CG1-CB 4.26Å; I253-A255 PolarHBondContact O-N 3.42Å; A255-F257 VanDerWaalsContact C-N 3.34Å; A255-L359 HydrophobicContact CB-CD1 4.31Å; A255-L359 WeakPolarHBondContact O-CB 3.38Å; A255-L359 WeakPolarHBondContact O-CD1 3.23Å
256	D	98.2	Very high	97.9	Very high	42 Å²	42	31.2 Å²	31.2	23%	0.225	15%	0.146	C	C	.	.	S	Bend	trans	-70.4	-35.9	174	-63.3	-69.5	0	0	0	110.7	P150 T151 L359 Q360	P150-D256 HydrophobicContact CB-CB 3.75Å; T151-D256 PolarHBondContact N-OD2 3.45Å; T151-D256 WeakPolarHBondContact O-CB 3.42Å; T151-D256 PolarHBondContact O-N 2.72Å; T151-D256 VanDerWaalsContact O-N 3.16Å; T151-D256 PolarHBondContact OG1-N 3.33Å; T151-D256 PolarHBondContact OG1-OD2 3.15Å; D256-L359 PolarHBondContact O-N 3.44Å; D256-Q360 HydrophobicContact CB-CG 4.05Å; D256-Q360 PolarHBondContact OD1-NE2 2.99Å
257	F	98.6	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.7	177.8	-66.9	-91.6	0	0	0	112.1	P150 T151 L152 C153 A255 I277 M280 L281 L356 V357 N358	P150-F257 HydrophobicContact CB-CD2 3.58Å; P150-F257 HydrophobicContact CB-CE2 3.52Å; P150-F257 HydrophobicContact CG-CD2 4.22Å; P150-F257 HydrophobicContact CG-CE2 3.68Å; T151-F257 PolarHBondContact O-N 2.8Å; L152-F257 WeakPolarHBondContact CA-O 3.48Å; L152-F257 HydrophobicContact CD1-CB 3.78Å; C153-F257 PolarHBondContact N-O 2.9Å; A255-F257 VanDerWaalsContact C-N 3.34Å; F257-I277 HydrophobicContact CD1-CG1 4.35Å; F257-I277 HydrophobicContact CD2-CD1 4.29Å; F257-I277 HydrophobicContact CD2-CG1 4.29Å; F257-I277 HydrophobicContact CE1-CG1 4.47Å; F257-I277 HydrophobicContact CE2-CG1 4.45Å; F257-I277 HydrophobicContact CE2-CG2 4.04Å; F257-I277 HydrophobicContact CG-CD1 4.44Å; F257-I277 HydrophobicContact CG-CG1 4.25Å; F257-I277 HydrophobicContact CZ-CG2 4.12Å; F257-M280 HydrophobicContact CD1-SD 3.94Å; F257-M280 HydrophobicContact CE1-CB 4.19Å; F257-M280 HydrophobicContact CE1-SD 3.57Å; F257-M280 VanDerWaalsContact CE1-SD 3.57Å; F257-L281 HydrophobicContact CZ-CD2 4.06Å; F257-L281 HydrophobicContact CZ-CG 4.29Å; F257-L356 HydrophobicContact CB-CD1 3.9Å; F257-L356 HydrophobicContact CB-CG 4.44Å; F257-L356 HydrophobicContact CD1-CD1 4.32Å; F257-L356 HydrophobicContact CD1-CD2 3.85Å; F257-L356 HydrophobicContact CD1-CG 3.95Å; F257-L356 HydrophobicContact CE1-CD2 4.37Å; F257-L356 HydrophobicContact CG-CD1 4.49Å; F257-V357 CarbonylContact C-O 3.57Å; F257-V357 VanDerWaalsContact CA-O 3.32Å; F257-V357 WeakPolarHBondContact CA-O 3.27Å; F257-N358 HydrophobicContact CD1-CB 4.03Å; F257-N358 HydrophobicContact CE1-CB 3.68Å
258	Y	98.7	Very high	97.9	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.5	170.8	170.2	-114.8	0	0	0	110.9	C153 L246 L247 A250 L356 V357	C153-Y258 HydrophobicContact CB-CD2 4.34Å; C153-Y258 CarbonylContact O-C 3.56Å; C153-Y258 WeakPolarHBondContact O-CA 3.45Å; L246-Y258 HydrophobicContact CB-CE2 4.4Å; L246-Y258 WeakPolarHBondContact CB-OH 3.38Å; L247-Y258 HydrophobicContact CB-CE1 4.28Å; L247-Y258 HydrophobicContact CD1-CD1 3.59Å; L247-Y258 HydrophobicContact CD1-CE1 3.97Å; L247-Y258 HydrophobicContact CD1-CG 4.2Å; A250-Y258 HydrophobicContact CB-CD2 3.58Å; A250-Y258 HydrophobicContact CB-CE2 4.36Å; A250-Y258 HydrophobicContact CB-CG 3.95Å; Y258-L356 CarbonylContact O-C 3.6Å; Y258-L356 WeakPolarHBondContact O-CA 3.46Å; Y258-V357 HydrophobicContact CD1-CB 4.44Å; Y258-V357 HydrophobicContact CD1-CG2 4.12Å; Y258-V357 PolarHBondContact N-O 3.1Å; Y258-V357 PolarHBondContact O-N 2.76Å
259	L	98.8	Very high	97.8	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	108.6	171.4	-178	69.2	0	0	0	108.8	L152 C153 I154 G155 I261 I273 I354 L356	L152-L259 HydrophobicContact CD1-CB 4.07Å; C153-L259 PolarHBondContact O-N 3.31Å; I154-L259 WeakPolarHBondContact CA-O 3.33Å; I154-L259 HydrophobicContact CD1-CD2 4.25Å; I154-L259 HydrophobicContact CG1-CB 4.18Å; I154-L259 HydrophobicContact CG1-CD2 4.16Å; I154-L259 HydrophobicContact CG2-CD2 4.26Å; G155-L259 PolarHBondContact N-O 3.21Å; L259-I261 HydrophobicContact CG-CB 4.44Å; L259-I273 HydrophobicContact CD2-CD1 4.27Å; L259-I273 HydrophobicContact CD2-CG1 4.29Å; L259-I354 HydrophobicContact CD1-CD1 4.29Å; L259-I354 HydrophobicContact CD1-CG1 3.88Å; L259-L356 HydrophobicContact CB-CD1 3.97Å; L259-L356 HydrophobicContact CD1-CB 4.35Å; L259-L356 HydrophobicContact CD1-CD1 4.24Å
260	S	98.6	Very high	97.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	123.7	165.7	179.1	0	0	0	0	107.9	I354 F355	S260-I354 VanDerWaalsContact O-CA 3.27Å; S260-I354 WeakPolarHBondContact O-CA 3.33Å; S260-F355 PolarHBondContact N-O 3.47Å; S260-F355 PolarHBondContact O-N 2.95Å
261	I	98.6	Very high	97.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	133.1	178.5	-168.3	175.9	0	0	0	111.4	I154 G155 V156 F168 I172 L259 V265 L267 S353 I354	I154-I261 HydrophobicContact CG2-CG2 3.67Å; G155-I261 PolarHBondContact O-N 2.67Å; V156-I261 HydrophobicContact CG2-CG2 3.81Å; F168-I261 HydrophobicContact CE2-CD1 3.8Å; F168-I261 HydrophobicContact CE2-CG1 3.98Å; F168-I261 HydrophobicContact CE2-CG2 4.1Å; F168-I261 HydrophobicContact CZ-CD1 4.5Å; F168-I261 HydrophobicContact CZ-CG2 4Å; I172-I261 HydrophobicContact CD1-CD1 4.27Å; L259-I261 HydrophobicContact CG-CB 4.44Å; I261-V265 HydrophobicContact CD1-CB 3.99Å; I261-V265 HydrophobicContact CD1-CG1 3.93Å; I261-V265 HydrophobicContact CG1-CB 3.74Å; I261-V265 HydrophobicContact CG1-CG1 4.03Å; I261-V265 HydrophobicContact CG1-CG2 4Å; I261-L267 HydrophobicContact CD1-CD1 4.22Å; I261-L267 HydrophobicContact CD1-CG 4.29Å; I261-S353 CarbonylContact C-O 3.59Å; I261-S353 WeakPolarHBondContact CA-O 3.31Å; I261-I354 HydrophobicContact CB-CG1 4.33Å; I261-I354 HydrophobicContact CD1-CD1 3.7Å; I261-I354 HydrophobicContact CD1-CG1 4.25Å; I261-I354 HydrophobicContact CG1-CB 4.14Å; I261-I354 HydrophobicContact CG1-CD1 4.04Å; I261-I354 HydrophobicContact CG1-CG1 4.04Å
262	D	97.8	Very high	97.7	Very high	28 Å²	28	31.1 Å²	31.1	15%	0.15	15%	0.15	C	C	.	.			trans	-80.2	144.2	175.1	-66.9	-8.6	0	0	0	110.5	F168 R243 D264 V265 S353	F168-D262 WeakPolarHBondContact CE2-O 3.42Å; R243-D262 IonicContact CZ-OD1 3.76Å; R243-D262 VanDerWaalsContact CZ-OD1 3.3Å; R243-D262 IonicContact NH1-OD1 3.5Å; R243-D262 PolarHBondContact NH1-OD1 3.1Å; R243-D262 IonicContact NH2-OD1 3.3Å; R243-D262 PolarHBondContact NH2-OD1 3.34Å; R243-D262 IonicContact NH2-OD2 3.9Å; R243-D262 PolarHBondContact NH2-OD2 3.15Å; D262-D264 WeakPolarHBondContact CB-OD1 3.39Å; D262-D264 PolarHBondContact O-N 3.25Å; D262-V265 HydrophobicContact CB-CG2 4.06Å; D262-V265 WeakPolarHBondContact O-CB 3.41Å; D262-V265 WeakPolarHBondContact O-CG2 3.36Å; D262-V265 PolarHBondContact O-N 3.46Å; D262-S353 PolarHBondContact N-O 3.13Å; D262-S353 WeakPolarHBondContact OD2-CA 3.18Å
263	A	97.6	Very high	97.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.008	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	5.4	-173.6	0	0	0	0	0	115.3	V156 V158 K161 T164	V156-A263 HydrophobicContact CG1-CB 3.87Å; V158-A263 HydrophobicContact CG2-CB 4.1Å; K161-A263 HydrophobicContact CB-CB 4.17Å; K161-A263 HydrophobicContact CG-CB 3.95Å; T164-A263 WeakPolarHBondContact CB-O 3.37Å; T164-A263 PolarHBondContact OG1-O 2.84Å
264	D	96.5	Very high	97.6	Very high	25 Å²	25	24.6 Å²	24.6	13%	0.134	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	7	171.9	51.8	13.4	0	0	0	113.5	K161 T164 D262 P409	K161-D264 IonicContact NZ-OD2 3.6Å; K161-D264 PolarHBondContact NZ-OD2 3.02Å; T164-D264 HydrophobicContact CG2-CB 4.08Å; D262-D264 WeakPolarHBondContact CB-OD1 3.39Å; D262-D264 PolarHBondContact O-N 3.25Å; D264-P409 HydrophobicContact CB-CG 4.03Å; D264-P409 VanDerWaalsContact O-CD 3.31Å; D264-P409 WeakPolarHBondContact O-CD 3.4Å
265	V	98.2	Very high	97.5	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.			trans	-80.2	119.9	170	-178.6	0	0	0	0	110	F168 I261 D262 L267 M307 S353 I354 I408	F168-V265 VanDerWaalsContact CD2-O 3.27Å; F168-V265 WeakPolarHBondContact CD2-O 3.46Å; I261-V265 HydrophobicContact CD1-CB 3.99Å; I261-V265 HydrophobicContact CD1-CG1 3.93Å; I261-V265 HydrophobicContact CG1-CB 3.74Å; I261-V265 HydrophobicContact CG1-CG1 4.03Å; I261-V265 HydrophobicContact CG1-CG2 4Å; D262-V265 HydrophobicContact CB-CG2 4.06Å; D262-V265 WeakPolarHBondContact O-CB 3.41Å; D262-V265 WeakPolarHBondContact O-CG2 3.36Å; D262-V265 PolarHBondContact O-N 3.46Å; V265-L267 HydrophobicContact CG1-CD2 4.39Å; V265-M307 HydrophobicContact CG1-CE 3.74Å; V265-M307 HydrophobicContact CG1-SD 4.45Å; V265-S353 WeakPolarHBondContact CG2-O 3.14Å; V265-I354 HydrophobicContact CG1-CB 4.17Å; V265-I354 HydrophobicContact CG1-CD1 4.16Å; V265-I354 HydrophobicContact CG1-CG2 4.14Å; V265-I354 HydrophobicContact CG2-CB 4.38Å; V265-I408 HydrophobicContact CB-CG2 4.31Å; V265-I408 HydrophobicContact CG1-CG2 4.24Å; V265-I408 HydrophobicContact CG2-CG2 3.88Å
266	I	98.1	Very high	97.4	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.021	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	102.2	179.4	-55.1	-53.5	0	0	0	109.4	F168 M268 G406 Y407 F436 L439 V453	F168-I266 HydrophobicContact CB-CD1 4.3Å; I266-M268 HydrophobicContact CG2-CG 4.23Å; I266-G406 CarbonylContact O-C 3.49Å; I266-G406 VanDerWaalsContact O-CA 3.23Å; I266-G406 WeakPolarHBondContact O-CA 3.43Å; I266-Y407 PolarHBondContact N-O 3.11Å; I266-Y407 PolarHBondContact O-N 3.37Å; I266-F436 HydrophobicContact CD1-CE2 3.8Å; I266-F436 HydrophobicContact CD1-CZ 4.16Å; I266-F436 HydrophobicContact CG1-CE2 3.85Å; I266-F436 HydrophobicContact CG1-CZ 4.49Å; I266-L439 HydrophobicContact CG1-CD1 4.47Å; I266-L439 HydrophobicContact CG1-CD2 4.09Å; I266-V453 HydrophobicContact CG2-CG1 3.77Å; I266-V453 HydrophobicContact CG2-CG2 4.13Å
267	L	98.1	Very high	97.2	Very high	8 Å²	8	11.6 Å²	11.6	4%	0.042	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128.6	171.1	-63.6	-178.1	0	0	0	110.1	I172 Q175 I261 V265 T272 M307 I354	I172-L267 HydrophobicContact CD1-CD1 4.21Å; Q175-L267 HydrophobicContact CG-CD1 4.39Å; I261-L267 HydrophobicContact CD1-CD1 4.22Å; I261-L267 HydrophobicContact CD1-CG 4.29Å; V265-L267 HydrophobicContact CG1-CD2 4.39Å; L267-T272 HydrophobicContact CD2-CG2 4Å; L267-M307 HydrophobicContact CD2-CE 4.24Å; L267-I354 HydrophobicContact CD2-CD1 3.7Å
268	M	96.7	Very high	96.9	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.025	6%	0.064	C	C	.	.			trans	-117.5	-27	177.6	-68.8	-167	63.2	0	0	112.6	I266 F404 Y405 Y407 Q447 Q451 V453	I266-M268 HydrophobicContact CG2-CG 4.23Å; M268-F404 HydrophobicContact CB-CE1 3.69Å; M268-F404 HydrophobicContact CB-CZ 4.17Å; M268-F404 HydrophobicContact CG-CE1 4.47Å; M268-F404 HydrophobicContact SD-CE1 4.25Å; M268-F404 HydrophobicContact SD-CZ 4.04Å; M268-Y405 PolarHBondContact N-O 2.98Å; M268-Y407 HydrophobicContact CE-CE2 4.39Å; M268-Y407 HydrophobicContact CG-CD2 4.36Å; M268-Y407 HydrophobicContact SD-CD2 3.3Å; M268-Y407 WeakPolarHBondContact SD-CD2 3.48Å; M268-Y407 HydrophobicContact SD-CE2 3.23Å; M268-Y407 WeakPolarHBondContact SD-CE2 3.48Å; M268-Q447 HydrophobicContact CE-CG 4.02Å; M268-Q451 HydrophobicContact CE-CB 3.68Å; M268-Q451 HydrophobicContact CE-CG 3.44Å; M268-Q451 VanDerWaalsContact CE-CG 3.44Å; M268-Q451 PolarHBondContact O-NE2 3.43Å; M268-V453 HydrophobicContact SD-CG2 3.98Å
269	N	95.9	Very high	96.5	Very high	30 Å²	30	12.2 Å²	12.2	16%	0.16	6%	0.064	C	C	.	.			trans	-84	121.2	173.3	-178.1	-12.3	0	0	0	110.2	Q175 L271 T272 Q403 F404 Y405	Q175-N269 PolarHBondContact NE2-O 3.4Å; N269-L271 PolarHBondContact O-N 3.12Å; N269-L271 WeakPolarHBondContact OD1-CB 3.27Å; N269-L271 PolarHBondContact OD1-N 3.44Å; N269-T272 WeakPolarHBondContact CB-OG1 3.43Å; N269-T272 PolarHBondContact O-N 3.46Å; N269-T272 PolarHBondContact O-OG1 3.21Å; N269-Q403 PolarHBondContact ND2-OE1 2.98Å; N269-F404 WeakPolarHBondContact CB-O 3.28Å; N269-F404 PolarHBondContact ND2-O 2.91Å; N269-Y405 PolarHBondContact N-O 3.26Å; N269-Y405 VanDerWaalsContact N-O 3.11Å
270	L	96.9	Very high	96.2	Very high	73 Å²	73	12.6 Å²	12.6	38%	0.382	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.3	-177.7	-50.9	-173	0	0	0	112.5	N174 Q175 Q176	N174-L270 HydrophobicContact CB-CD2 3.7Å; Q175-L270 CarbonylContact C-O 3.49Å; Q175-L270 WeakPolarHBondContact CA-O 3.48Å; Q175-L270 PolarHBondContact OE1-O 2.93Å; Q176-L270 HydrophobicContact CG-CB 4.13Å; Q176-L270 PolarHBondContact N-O 3Å
271	L	96.8	Very high	95.7	Very high	35 Å²	35	16.9 Å²	16.9	18%	0.183	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	4.3	-179.6	-64.5	171	0	0	0	112.9	Q176 N269 I273 E274 H275	Q176-L271 HydrophobicContact CB-CD2 4.1Å; N269-L271 PolarHBondContact O-N 3.12Å; N269-L271 WeakPolarHBondContact OD1-CB 3.27Å; N269-L271 PolarHBondContact OD1-N 3.44Å; L271-I273 PolarHBondContact O-N 2.89Å; L271-E274 PolarHBondContact O-N 3.5Å; L271-H275 WeakPolarHBondContact O-CB 3.47Å; L271-H275 PolarHBondContact O-N 2.9Å
272	T	97.8	Very high	94.8	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.012	10%	0.104	C	C	.	.	H	α-helix	trans	-53.2	-52.7	-171.7	-59.8	0	0	0	0	112.1	L267 N269 L276 P305 Y405	L267-T272 HydrophobicContact CD2-CG2 4Å; N269-T272 WeakPolarHBondContact CB-OG1 3.43Å; N269-T272 PolarHBondContact O-N 3.46Å; N269-T272 PolarHBondContact O-OG1 3.21Å; T272-L276 HydrophobicContact CG2-CD1 3.9Å; T272-L276 VanDerWaalsContact O-CG 3.22Å; T272-L276 WeakPolarHBondContact O-CG 3.42Å; T272-L276 PolarHBondContact O-N 3.41Å; T272-L276 VanDerWaalsContact O-N 3.08Å; T272-P305 HydrophobicContact CG2-CG 4.45Å; T272-Y405 HydrophobicContact CG2-CD1 3.67Å; T272-Y405 HydrophobicContact CG2-CE1 4.36Å; T272-Y405 HydrophobicContact CG2-CG 4.43Å
273	I	97.8	Very high	93	Very high	5 Å²	5	21 Å²	21	3%	0.026	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-49.6	-177.5	-68.4	180	0	0	0	111.4	L152 I154 Q175 Y177 L259 L271 H275 L276 I277	L152-I273 HydrophobicContact CD2-CD1 3.89Å; L152-I273 HydrophobicContact CD2-CG1 4.48Å; L152-I273 HydrophobicContact CD2-CG2 3.47Å; L152-I273 VanDerWaalsContact CD2-CG2 3.47Å; I154-I273 HydrophobicContact CD1-CD1 3.94Å; Q175-I273 HydrophobicContact CB-CD1 3.98Å; Q175-I273 HydrophobicContact CB-CG1 4.48Å; Q175-I273 HydrophobicContact CG-CD1 3.64Å; Q175-I273 HydrophobicContact CG-CG1 4.02Å; Q175-I273 VanDerWaalsContact OE1-N 3.14Å; Y177-I273 HydrophobicContact CD1-CG2 4.31Å; Y177-I273 HydrophobicContact CD2-CG2 3.75Å; Y177-I273 HydrophobicContact CE2-CG2 4.21Å; Y177-I273 HydrophobicContact CG-CG2 3.78Å; L259-I273 HydrophobicContact CD2-CD1 4.27Å; L259-I273 HydrophobicContact CD2-CG1 4.29Å; L271-I273 PolarHBondContact O-N 2.89Å; I273-H275 VanDerWaalsContact C-N 3.33Å; I273-H275 PolarHBondContact O-N 3.18Å; I273-L276 PolarHBondContact O-N 3.17Å; I273-I277 HydrophobicContact CG2-CD1 4.01Å; I273-I277 WeakPolarHBondContact O-CG1 3.39Å; I273-I277 PolarHBondContact O-N 3.06Å; I273-I277 VanDerWaalsContact O-N 3.15Å
274	E	95	Very high	91.3	Very high	17 Å²	17	25.2 Å²	25.2	8%	0.079	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-45	-179.1	-179.9	174.9	170.9	0	0	111.1	M149 Y177 L271 I277 N278	M149-E274 HydrophobicContact CE-CG 4.14Å; Y177-E274 HydrophobicContact CD2-CB 4.23Å; L271-E274 PolarHBondContact O-N 3.5Å; E274-I277 PolarHBondContact O-N 2.88Å; E274-N278 WeakPolarHBondContact O-CB 3.27Å; E274-N278 VanDerWaalsContact O-CG 3.23Å; E274-N278 PolarHBondContact O-N 2.96Å; E274-N278 PolarHBondContact O-ND2 2.79Å
275	H	94.2	Very high	89.6	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.009	15%	0.145	C	C	.	.	H	α-helix	trans	-60.7	-48.9	179.4	175.6	68.7	0	0	0	112.2	Y133 L271 I273 I277 N278 V279 D400 Q403 Y405	Y133-H275 PolarHBondContact OH-CE1 2.9Å; Y133-H275 PolarHBondContact OH-ND1 2.8Å; L271-H275 WeakPolarHBondContact O-CB 3.47Å; L271-H275 PolarHBondContact O-N 2.9Å; I273-H275 VanDerWaalsContact C-N 3.33Å; I273-H275 PolarHBondContact O-N 3.18Å; H275-I277 VanDerWaalsContact C-N 3.32Å; H275-I277 PolarHBondContact O-N 3.37Å; H275-N278 PolarHBondContact O-N 2.91Å; H275-V279 VanDerWaalsContact CE1-CG2 3.44Å; H275-V279 WeakPolarHBondContact CE1-CG2 3.36Å; H275-V279 WeakPolarHBondContact NE2-CG2 3.33Å; H275-V279 WeakPolarHBondContact O-CG2 3.4Å; H275-V279 PolarHBondContact O-N 3.37Å; H275-D400 IonicContact CD2-OD2 2.8Å; H275-D400 IonicContact CE1-OD2 3Å; H275-D400 IonicContact NE2-OD1 3.72Å; H275-D400 IonicContact NE2-OD2 3.74Å; H275-D400 PolarHBondContact NE2-OD2 3.06Å; H275-Q403 PolarHBondContact CE1-NE2 2.9Å; H275-Q403 PolarHBondContact ND1-NE2 2.86Å; H275-Y405 AromaticContact CD2-CE1 3.75Å; H275-Y405 AromaticContact CD2-CZ 3.78Å; H275-Y405 PolarHBondContact CD2-OH 3.25Å; H275-Y405 PolarHBondContact NE2-OH 3.22Å
276	L	96	Very high	87.5	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-40.6	179.7	-67.9	171.2	0	0	0	112.1	T272 I273 V279 M280 L303 P305 L356 D400	T272-L276 HydrophobicContact CG2-CD1 3.9Å; T272-L276 VanDerWaalsContact O-CG 3.22Å; T272-L276 WeakPolarHBondContact O-CG 3.42Å; T272-L276 PolarHBondContact O-N 3.41Å; T272-L276 VanDerWaalsContact O-N 3.08Å; I273-L276 PolarHBondContact O-N 3.17Å; L276-V279 PolarHBondContact O-N 3.35Å; L276-M280 WeakPolarHBondContact O-CG 3.42Å; L276-M280 PolarHBondContact O-N 2.93Å; L276-M280 VanDerWaalsContact O-N 3.12Å; L276-L303 HydrophobicContact CB-CD2 4.23Å; L276-L303 HydrophobicContact CD2-CD2 3.62Å; L276-L303 HydrophobicContact CD2-CG 3.94Å; L276-P305 HydrophobicContact CD1-CB 4.24Å; L276-P305 HydrophobicContact CD1-CG 3.91Å; L276-P305 HydrophobicContact CD2-CB 4.2Å; L276-L356 HydrophobicContact CB-CD2 3.91Å; L276-D400 HydrophobicContact CD2-CB 4.31Å
277	I	95.3	Very high	85.3	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-64.2	-44.7	175.2	-72.1	172.9	0	0	0	110.4	P150 Y177 F257 I273 E274 H275 V279 M280 L281 L356	P150-I277 HydrophobicContact CG-CG2 4.12Å; Y177-I277 HydrophobicContact CD2-CD1 4.45Å; Y177-I277 HydrophobicContact CE2-CD1 3.54Å; Y177-I277 VanDerWaalsContact OH-CD1 3.3Å; Y177-I277 WeakPolarHBondContact OH-CD1 3.44Å; F257-I277 HydrophobicContact CD1-CG1 4.35Å; F257-I277 HydrophobicContact CD2-CD1 4.29Å; F257-I277 HydrophobicContact CD2-CG1 4.29Å; F257-I277 HydrophobicContact CE1-CG1 4.47Å; F257-I277 HydrophobicContact CE2-CG1 4.45Å; F257-I277 HydrophobicContact CE2-CG2 4.04Å; F257-I277 HydrophobicContact CG-CD1 4.44Å; F257-I277 HydrophobicContact CG-CG1 4.25Å; F257-I277 HydrophobicContact CZ-CG2 4.12Å; I273-I277 HydrophobicContact CG2-CD1 4.01Å; I273-I277 WeakPolarHBondContact O-CG1 3.39Å; I273-I277 PolarHBondContact O-N 3.06Å; I273-I277 VanDerWaalsContact O-N 3.15Å; E274-I277 PolarHBondContact O-N 2.88Å; H275-I277 VanDerWaalsContact C-N 3.32Å; H275-I277 PolarHBondContact O-N 3.37Å; I277-V279 VanDerWaalsContact C-N 3.35Å; I277-V279 PolarHBondContact O-N 3.4Å; I277-M280 PolarHBondContact O-N 2.83Å; I277-M280 VanDerWaalsContact O-N 3.17Å; I277-L281 HydrophobicContact CG2-CD1 3.66Å; I277-L281 HydrophobicContact CG2-CG 4.16Å; I277-L281 WeakPolarHBondContact O-CB 3.22Å; I277-L281 VanDerWaalsContact O-CG 3.3Å; I277-L281 WeakPolarHBondContact O-CG 3.5Å; I277-L281 PolarHBondContact O-N 3.43Å; I277-L356 HydrophobicContact CG1-CD2 3.65Å
278	N	91.6	Very high	83	Confident	14 Å²	14	33.9 Å²	33.9	8%	0.075	20%	0.196	C	C	.	.	H	α-helix	trans	-61.8	-41.8	178.3	-74	-23.7	0	0	0	112	E274 H275 M280 L281 D282 I285	E274-N278 WeakPolarHBondContact O-CB 3.27Å; E274-N278 VanDerWaalsContact O-CG 3.23Å; E274-N278 PolarHBondContact O-N 2.96Å; E274-N278 PolarHBondContact O-ND2 2.79Å; H275-N278 PolarHBondContact O-N 2.91Å; N278-M280 VanDerWaalsContact C-N 3.29Å; N278-M280 PolarHBondContact O-N 2.74Å; N278-L281 PolarHBondContact O-N 2.84Å; N278-D282 PolarHBondContact O-N 2.73Å; N278-I285 HydrophobicContact CB-CD1 4.12Å
279	V	90.7	Very high	81	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-60.1	-38.8	174.6	169.4	0	0	0	0	111.9	H275 L276 I277 I285 S286 I300 L303 V345	H275-V279 VanDerWaalsContact CE1-CG2 3.44Å; H275-V279 WeakPolarHBondContact CE1-CG2 3.36Å; H275-V279 WeakPolarHBondContact NE2-CG2 3.33Å; H275-V279 WeakPolarHBondContact O-CG2 3.4Å; H275-V279 PolarHBondContact O-N 3.37Å; L276-V279 PolarHBondContact O-N 3.35Å; I277-V279 VanDerWaalsContact C-N 3.35Å; I277-V279 PolarHBondContact O-N 3.4Å; V279-I285 HydrophobicContact CG2-CG2 4.04Å; V279-S286 WeakPolarHBondContact CG1-OG 3.47Å; V279-I300 HydrophobicContact CG1-CD1 4.32Å; V279-L303 HydrophobicContact CB-CD2 3.87Å; V279-L303 HydrophobicContact CG1-CD1 4.49Å; V279-L303 HydrophobicContact CG1-CD2 3.55Å; V279-V345 HydrophobicContact CG1-CG2 3.88Å
280	M	92.7	Very high	79	Confident	11 Å²	11	37.2 Å²	37.2	5%	0.054	21%	0.213	C	C	.	.	H	α-helix	trans	-73.9	-29.1	176.5	-74.2	-177.8	150.9	0	0	113.6	F257 L276 I277 N278 I300 I301 L303 L356 N358	F257-M280 HydrophobicContact CD1-SD 3.94Å; F257-M280 HydrophobicContact CE1-CB 4.19Å; F257-M280 HydrophobicContact CE1-SD 3.57Å; F257-M280 VanDerWaalsContact CE1-SD 3.57Å; L276-M280 WeakPolarHBondContact O-CG 3.42Å; L276-M280 PolarHBondContact O-N 2.93Å; L276-M280 VanDerWaalsContact O-N 3.12Å; I277-M280 PolarHBondContact O-N 2.83Å; I277-M280 VanDerWaalsContact O-N 3.17Å; N278-M280 VanDerWaalsContact C-N 3.29Å; N278-M280 PolarHBondContact O-N 2.74Å; M280-I300 HydrophobicContact CE-CG2 4.2Å; M280-I300 HydrophobicContact CG-CB 4.23Å; M280-I300 HydrophobicContact CG-CG2 4.07Å; M280-I301 WeakPolarHBondContact CE-O 3.35Å; M280-L303 HydrophobicContact CE-CB 3.43Å; M280-L303 VanDerWaalsContact CE-CB 3.43Å; M280-L303 HydrophobicContact CG-CB 4.14Å; M280-L303 HydrophobicContact CG-CD2 4.07Å; M280-L303 HydrophobicContact SD-CB 4.34Å; M280-L356 HydrophobicContact CE-CB 4.2Å; M280-L356 HydrophobicContact CE-CD2 4.44Å; M280-L356 HydrophobicContact CE-CG 4.31Å; M280-L356 WeakPolarHBondContact CE-O 3.41Å; M280-L356 HydrophobicContact SD-CB 4.41Å; M280-L356 HydrophobicContact SD-CD2 3.6Å; M280-L356 HydrophobicContact SD-CG 3.98Å; M280-N358 HydrophobicContact CE-CB 4.45Å; M280-N358 HydrophobicContact SD-CB 4.11Å
281	L	88.4	Confident	77.2	Confident	90 Å²	90	39.9 Å²	39.9	47%	0.471	23%	0.228	S	C	.	.	H	α-helix	trans	-87.7	-25.6	-178.7	-69.1	179.3	0	0	0	113.7	P150 F257 I277 N278	P150-L281 HydrophobicContact CG-CD1 4.13Å; F257-L281 HydrophobicContact CZ-CD2 4.06Å; F257-L281 HydrophobicContact CZ-CG 4.29Å; I277-L281 HydrophobicContact CG2-CD1 3.66Å; I277-L281 HydrophobicContact CG2-CG 4.16Å; I277-L281 WeakPolarHBondContact O-CB 3.22Å; I277-L281 VanDerWaalsContact O-CG 3.3Å; I277-L281 WeakPolarHBondContact O-CG 3.5Å; I277-L281 PolarHBondContact O-N 3.43Å; N278-L281 PolarHBondContact O-N 2.84Å
282	D	78.3	Confident	75.5	Confident	62 Å²	62	40.8 Å²	40.8	33%	0.332	23%	0.232	S	C	.	.			trans	-129.8	95	-177.9	-171.8	-7.9	0	0	0	110.8	N278 T284 I285	N278-D282 PolarHBondContact O-N 2.73Å; D282-T284 VanDerWaalsContact CG-OG1 3.24Å; D282-T284 PolarHBondContact O-N 3.31Å; D282-T284 VanDerWaalsContact OD1-CB 3.28Å; D282-T284 WeakPolarHBondContact OD1-CB 3.23Å; D282-T284 WeakPolarHBondContact OD1-CG2 3.37Å; D282-T284 PolarHBondContact OD1-N 3.34Å; D282-T284 PolarHBondContact OD1-OG1 3.37Å; D282-T284 PolarHBondContact OD2-OG1 3.26Å; D282-I285 HydrophobicContact CB-CD1 3.84Å; D282-I285 HydrophobicContact CB-CG1 4Å; D282-I285 WeakPolarHBondContact O-CB 3.46Å; D282-I285 PolarHBondContact O-N 3.24Å
283	S	59.9	Low	73.7	Confident	52 Å²	52	49.1 Å²	49.1	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-61.6	-14.1	178.5	60	0	0	0	0	113.6	I285 S286	S283-I285 VanDerWaalsContact C-N 3.31Å; S283-S286 PolarHBondContact O-N 2.99Å
284	T	62.8	Low	72.2	Confident	91 Å²	91	51 Å²	51	56%	0.558	29%	0.285	S	S	*	.	H	α-helix	trans	-73.1	-23.3	175.3	73	0	0	0	0	112.9	D282 S286 T287	D282-T284 VanDerWaalsContact CG-OG1 3.24Å; D282-T284 PolarHBondContact O-N 3.31Å; D282-T284 VanDerWaalsContact OD1-CB 3.28Å; D282-T284 WeakPolarHBondContact OD1-CB 3.23Å; D282-T284 WeakPolarHBondContact OD1-CG2 3.37Å; D282-T284 PolarHBondContact OD1-N 3.34Å; D282-T284 PolarHBondContact OD1-OG1 3.37Å; D282-T284 PolarHBondContact OD2-OG1 3.26Å; T284-S286 VanDerWaalsContact C-N 3.27Å; T284-S286 PolarHBondContact O-N 3.31Å; T284-T287 PolarHBondContact O-OG1 2.85Å
285	I	59.5	Low	70.9	Confident	44 Å²	44	58.5 Å²	58.5	23%	0.226	32%	0.318	C	S	.	.	H	α-helix	trans	-66	-35.4	177.2	-61.9	177.4	0	0	0	110.5	N278 V279 D282 S283 S288	N278-I285 HydrophobicContact CB-CD1 4.12Å; V279-I285 HydrophobicContact CG2-CG2 4.04Å; D282-I285 HydrophobicContact CB-CD1 3.84Å; D282-I285 HydrophobicContact CB-CG1 4Å; D282-I285 WeakPolarHBondContact O-CB 3.46Å; D282-I285 PolarHBondContact O-N 3.24Å; S283-I285 VanDerWaalsContact C-N 3.31Å; I285-S288 PolarHBondContact O-OG 3.08Å
286	S	55.3	Low	69.9	Low	4 Å²	4	59.2 Å²	59.2	3%	0.028	32%	0.321	C	S	.	.	H	α-helix	trans	-80.2	-23	-170.9	-50.9	0	0	0	0	114.4	V279 S283 T284	V279-S286 WeakPolarHBondContact CG1-OG 3.47Å; S283-S286 PolarHBondContact O-N 2.99Å; T284-S286 VanDerWaalsContact C-N 3.27Å; T284-S286 PolarHBondContact O-N 3.31Å
287	T	51.8	Low	68.8	Low	90 Å²	90	62.2 Å²	62.2	55%	0.552	34%	0.338	S	S	*	.	H	α-helix	trans	-88.9	-13.3	-171.8	53.6	0	0	0	0	114.5	T284 K289	T284-T287 PolarHBondContact O-OG1 2.85Å; T287-K289 PolarHBondContact O-N 3.36Å
288	S	50.3	Low	67.9	Low	80 Å²	80	69.2 Å²	69.2	56%	0.559	37%	0.37	S	S	*	.	S	Bend	trans	-82.2	-11	-172.3	62	0	0	0	0	115.4	I285	I285-S288 PolarHBondContact O-OG 3.08Å
289	K	53.4	Low	67.7	Low	74 Å²	74	72.6 Å²	72.6	32%	0.322	39%	0.388	S	S	.	.	S	Bend	trans	-124.5	-4	-173.8	-70.9	-177.1	178.8	175.4	0	115.7	T287 N291 Q343	T287-K289 PolarHBondContact O-N 3.36Å; K289-N291 PolarHBondContact O-N 3.36Å; K289-Q343 CarbonylContact C-O 3.53Å
290	S	54.7	Low	67.8	Low	31 Å²	31	72.7 Å²	72.7	22%	0.217	39%	0.389	C	S	.	.			trans	-78.2	112.4	-173.9	68.8	0	0	0	0	112.4	L292	S290-L292 PolarHBondContact O-N 3.02Å; S290-L292 PolarHBondContact OG-O 3.3Å
291	N	58.5	Low	67.9	Low	130 Å²	130	72.5 Å²	72.5	70%	0.695	39%	0.388	S	S	*	.	S	Bend	trans	-74.4	0.5	171.2	-70.1	-20.3	0	0	0	114.2	K289	K289-N291 PolarHBondContact O-N 3.36Å
292	L	61.7	Low	68.4	Low	53 Å²	53	68.2 Å²	68.2	28%	0.277	37%	0.366	S	S	.	.	S	Bend	trans	-114.7	124.8	174.5	-71.9	166.9	0	0	0	108.2	S290 H294 I342 Y346	S290-L292 PolarHBondContact O-N 3.02Å; S290-L292 PolarHBondContact OG-O 3.3Å; L292-H294 VanDerWaalsContact C-N 3.26Å; L292-H294 PolarHBondContact O-N 3.14Å; L292-H294 PolarHBondContact O-ND1 3.25Å; L292-I342 HydrophobicContact CD1-CD1 3.46Å; L292-I342 VanDerWaalsContact CD1-CD1 3.46Å; L292-I342 HydrophobicContact CG-CD1 4.29Å; L292-Y346 HydrophobicContact CB-CE1 4.24Å; L292-Y346 HydrophobicContact CD1-CD1 4.41Å; L292-Y346 HydrophobicContact CD1-CE1 3.91Å
293	N	60.3	Low	69.3	Low	177 Å²	177	65.3 Å²	65.3	95%	0.947	35%	0.35	S	S	*	.			trans	-66.1	84.3	173.5	-73.3	-13.3	0	0	0	109.8
294	H	66.3	Low	71.1	Confident	45 Å²	45	62.8 Å²	62.8	21%	0.208	33%	0.333	C	S	.	.			trans	-127.9	141.3	171.4	71.7	-69.7	0	0	0	108.8	L292 V345 Y346 P347	L292-H294 VanDerWaalsContact C-N 3.26Å; L292-H294 PolarHBondContact O-N 3.14Å; L292-H294 PolarHBondContact O-ND1 3.25Å; H294-V345 PolarHBondContact CE1-O 3.08Å; H294-V345 PolarHBondContact NE2-O 3.05Å; H294-Y346 AromaticContact CE1-CD1 3.38Å; H294-Y346 WeakPolarHBondContact CE1-CD1 3.34Å; H294-Y346 AromaticContact CE1-CE1 3.57Å; H294-Y346 AromaticContact ND1-CD1 3.98Å; H294-Y346 AromaticContact NE2-CD1 3.74Å; H294-P347 WeakPolarHBondContact CD2-CD 3.37Å
295	K	66.9	Low	72.8	Confident	175 Å²	175	58.5 Å²	58.5	76%	0.761	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-83.6	122.9	176.8	-172.2	178	179.3	-171.7	0	107.2
296	I	72.8	Confident	74.6	Confident	16 Å²	16	56.4 Å²	56.4	8%	0.082	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-84.2	137.9	170.2	-60.5	177.8	0	0	0	107	I300 V345 Y398	I296-I300 HydrophobicContact CG2-CD1 3.81Å; I296-I300 HydrophobicContact CG2-CG1 4.09Å; I296-V345 HydrophobicContact CD1-CB 4.16Å; I296-Y398 HydrophobicContact CB-CE1 4.38Å; I296-Y398 HydrophobicContact CG1-CE1 4.42Å; I296-Y398 HydrophobicContact CG2-CD1 4.42Å; I296-Y398 HydrophobicContact CG2-CE1 3.87Å
297	D	74.3	Confident	76.7	Confident	66 Å²	66	56.3 Å²	56.3	35%	0.353	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-58.8	144.2	174.6	-68.8	-41.3	0	0	0	110.8	N299 Y398	D297-N299 PolarHBondContact O-N 2.87Å; D297-N299 VanDerWaalsContact O-N 3.17Å; D297-Y398 HydrophobicContact CB-CE2 4.37Å; D297-Y398 WeakPolarHBondContact CB-OH 3.32Å; D297-Y398 PolarHBondContact N-OH 3.44Å; D297-Y398 PolarHBondContact OD2-OH 2.8Å
298	E	75.7	Confident	78.7	Confident	148 Å²	148	54 Å²	54	69%	0.692	28%	0.279	S	S	*	.	S	Bend	trans	-61.8	-24.3	175.1	-67.5	176	-173.3	0	0	111.6
299	N	86.9	Confident	80.8	Confident	84 Å²	84	51.2 Å²	51.2	45%	0.449	26%	0.259	S	S	.	.	S	Bend	trans	-126.4	88.9	-174.7	-61.8	-43.2	0	0	0	110.9	D297 I301 F361	D297-N299 PolarHBondContact O-N 2.87Å; D297-N299 VanDerWaalsContact O-N 3.17Å; N299-I301 PolarHBondContact O-N 3.22Å; N299-F361 HydrophobicContact CB-CD1 4.37Å; N299-F361 HydrophobicContact CB-CE1 3.66Å; N299-F361 HydrophobicContact CB-CE2 4.22Å; N299-F361 HydrophobicContact CB-CZ 3.57Å; N299-F361 VanDerWaalsContact CG-CE1 3.46Å; N299-F361 WeakPolarHBondContact OD1-CE1 3.3Å; N299-F361 WeakPolarHBondContact OD1-CZ 3.39Å
300	I	92.8	Very high	82.5	Confident	3 Å²	3	48.4 Å²	48.4	2%	0.015	25%	0.248	C	C	.	.			trans	-75.1	111.5	175.5	-56.7	176.7	0	0	0	109.1	V279 M280 I296 L303 V345 Y398	V279-I300 HydrophobicContact CG1-CD1 4.32Å; M280-I300 HydrophobicContact CE-CG2 4.2Å; M280-I300 HydrophobicContact CG-CB 4.23Å; M280-I300 HydrophobicContact CG-CG2 4.07Å; I296-I300 HydrophobicContact CG2-CD1 3.81Å; I296-I300 HydrophobicContact CG2-CG1 4.09Å; I300-L303 HydrophobicContact CG2-CB 4.06Å; I300-L303 HydrophobicContact CG2-CD1 4.46Å; I300-V345 HydrophobicContact CD1-CG1 4.36Å; I300-Y398 HydrophobicContact CG1-CD2 4.33Å; I300-Y398 HydrophobicContact CG1-CE2 4.46Å; I300-Y398 HydrophobicContact CG2-CD2 3.83Å; I300-Y398 HydrophobicContact CG2-CG 4.16Å
301	I	95.9	Very high	83.8	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.041	25%	0.247	C	C	.	.			trans	-90.4	-35.4	178.4	-63	164.8	0	0	0	111.7	M280 N299 V357 N358 F361 Q363 I395	M280-I301 WeakPolarHBondContact CE-O 3.35Å; N299-I301 PolarHBondContact O-N 3.22Å; I301-V357 HydrophobicContact CG2-CG1 4.45Å; I301-V357 CarbonylContact O-C 3.33Å; I301-V357 VanDerWaalsContact O-CA 3.32Å; I301-V357 WeakPolarHBondContact O-CA 3.34Å; I301-N358 PolarHBondContact O-N 3.36Å; I301-F361 HydrophobicContact CD1-CB 4.13Å; I301-F361 HydrophobicContact CD1-CG 4.43Å; I301-F361 HydrophobicContact CG1-CB 4.05Å; I301-F361 HydrophobicContact CG1-CD2 3.76Å; I301-F361 HydrophobicContact CG1-CE2 4.46Å; I301-F361 HydrophobicContact CG1-CG 4.03Å; I301-Q363 HydrophobicContact CD1-CB 3.85Å; I301-I395 HydrophobicContact CB-CG2 3.95Å; I301-I395 HydrophobicContact CD1-CD1 3.84Å; I301-I395 HydrophobicContact CD1-CG1 3.86Å; I301-I395 HydrophobicContact CD1-CG2 4.31Å; I301-I395 HydrophobicContact CG2-CD1 4.22Å; I301-I395 HydrophobicContact CG2-CG2 4.41Å
302	I	97.7	Very high	85.1	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	125.3	178.9	-53.1	174.3	0	0	0	110.4	V351 F355 L356 V357 I367 F386 V390 I395 F397 Y398	I302-V351 HydrophobicContact CG2-CG2 4.17Å; I302-F355 HydrophobicContact CG2-CB 4.35Å; I302-F355 HydrophobicContact CG2-CD2 3.89Å; I302-F355 HydrophobicContact CG2-CG 4.42Å; I302-L356 WeakPolarHBondContact CA-O 3.4Å; I302-V357 HydrophobicContact CG1-CG2 4.47Å; I302-I367 HydrophobicContact CD1-CD1 3.82Å; I302-I367 HydrophobicContact CG1-CD1 4.3Å; I302-F386 HydrophobicContact CD1-CE1 4.23Å; I302-F386 HydrophobicContact CD1-CZ 4.15Å; I302-V390 HydrophobicContact CD1-CB 4.33Å; I302-V390 HydrophobicContact CD1-CG1 3.84Å; I302-V390 HydrophobicContact CD1-CG2 3.44Å; I302-V390 VanDerWaalsContact CD1-CG2 3.44Å; I302-I395 HydrophobicContact CD1-CG2 4.41Å; I302-I395 HydrophobicContact CG1-CG2 4.46Å; I302-F397 HydrophobicContact CB-CD1 3.98Å; I302-F397 HydrophobicContact CB-CE1 4.41Å; I302-F397 HydrophobicContact CD1-CD1 3.97Å; I302-F397 HydrophobicContact CD1-CE1 3.63Å; I302-F397 HydrophobicContact CD1-CZ 4.39Å; I302-F397 HydrophobicContact CG2-CD1 3.55Å; I302-F397 HydrophobicContact CG2-CE1 3.88Å; I302-Y398 PolarHBondContact O-N 3.23Å
303	L	97.5	Very high	86.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	130.4	180	-173.6	67	0	0	0	110	L276 V279 M280 I300 V345 L356 Y398 D400	L276-L303 HydrophobicContact CB-CD2 4.23Å; L276-L303 HydrophobicContact CD2-CD2 3.62Å; L276-L303 HydrophobicContact CD2-CG 3.94Å; V279-L303 HydrophobicContact CB-CD2 3.87Å; V279-L303 HydrophobicContact CG1-CD1 4.49Å; V279-L303 HydrophobicContact CG1-CD2 3.55Å; M280-L303 HydrophobicContact CE-CB 3.43Å; M280-L303 VanDerWaalsContact CE-CB 3.43Å; M280-L303 HydrophobicContact CG-CB 4.14Å; M280-L303 HydrophobicContact CG-CD2 4.07Å; M280-L303 HydrophobicContact SD-CB 4.34Å; I300-L303 HydrophobicContact CG2-CB 4.06Å; I300-L303 HydrophobicContact CG2-CD1 4.46Å; L303-V345 HydrophobicContact CD1-CG1 3.74Å; L303-L356 PolarHBondContact N-O 2.66Å; L303-L356 PolarHBondContact O-N 2.76Å; L303-Y398 CarbonylContact C-O 3.59Å; L303-Y398 WeakPolarHBondContact CA-O 3.46Å; L303-D400 HydrophobicContact CD1-CB 4.15Å
304	A	98.5	Very high	87.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.6	171.7	0	0	0	0	0	111.4	V351 I354 F355 Y398 L399 D400	A304-V351 HydrophobicContact CB-CB 3.56Å; A304-V351 HydrophobicContact CB-CG1 3.5Å; A304-V351 HydrophobicContact CB-CG2 3.96Å; A304-I354 WeakPolarHBondContact CB-O 3.32Å; A304-F355 HydrophobicContact CB-CB 3.92Å; A304-Y398 PolarHBondContact N-O 3.01Å; A304-L399 HydrophobicContact CB-CD1 3.98Å; A304-L399 CarbonylContact O-C 3.51Å; A304-L399 WeakPolarHBondContact O-CA 3.14Å; A304-D400 PolarHBondContact O-N 3.17Å
305	P	98.2	Very high	88.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	141.3	163.6	29.8	-31	0	0	0	110.2	T272 L276 M307 N317 I354 D400 Y405	T272-P305 HydrophobicContact CG2-CG 4.45Å; L276-P305 HydrophobicContact CD1-CB 4.24Å; L276-P305 HydrophobicContact CD1-CG 3.91Å; L276-P305 HydrophobicContact CD2-CB 4.2Å; P305-M307 HydrophobicContact CB-SD 4.34Å; P305-M307 HydrophobicContact CG-SD 4.09Å; P305-M307 PolarHBondContact O-N 3.12Å; P305-N317 PolarHBondContact O-ND2 3.05Å; P305-I354 HydrophobicContact CG-CD1 3.88Å; P305-I354 HydrophobicContact CG-CG1 4.11Å; P305-I354 HydrophobicContact CG-CG2 3.84Å; P305-D400 CarbonylContact C-O 3.57Å; P305-Y405 HydrophobicContact CB-CD1 3.84Å; P305-Y405 HydrophobicContact CB-CD2 3.36Å; P305-Y405 HydrophobicContact CB-CE1 4.23Å; P305-Y405 HydrophobicContact CB-CE2 3.8Å; P305-Y405 HydrophobicContact CB-CG 3.39Å
306	L	98.1	Very high	90	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.185	C	C	.	.			trans	-70.6	115	169.3	175.4	66.7	0	0	0	110.4	F318 I337 R340 L399 D400 N401	L306-F318 HydrophobicContact CD1-CD1 3.87Å; L306-F318 HydrophobicContact CD1-CE1 3.77Å; L306-I337 WeakPolarHBondContact CD2-O 3.27Å; L306-R340 HydrophobicContact CD2-CG 4.16Å; L306-R340 PolarHBondContact O-NH2 3.47Å; L306-R340 VanDerWaalsContact O-NH2 3.13Å; L306-L399 HydrophobicContact CB-CD1 4.3Å; L306-L399 HydrophobicContact CB-CD2 4.36Å; L306-L399 HydrophobicContact CB-CG 4.34Å; L306-L399 HydrophobicContact CD1-CD2 4.25Å; L306-D400 PolarHBondContact N-O 3.27Å; L306-N401 HydrophobicContact CB-CB 3.77Å; L306-N401 HydrophobicContact CD2-CB 3.54Å; L306-N401 HydrophobicContact CG-CB 4.3Å
307	M	97.6	Very high	91.1	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-92.1	138.3	174.8	-56.5	-51.5	-66.2	0	0	111.3	V265 L267 P305 N317 I354 I408	V265-M307 HydrophobicContact CG1-CE 3.74Å; V265-M307 HydrophobicContact CG1-SD 4.45Å; L267-M307 HydrophobicContact CD2-CE 4.24Å; P305-M307 HydrophobicContact CB-SD 4.34Å; P305-M307 HydrophobicContact CG-SD 4.09Å; P305-M307 PolarHBondContact O-N 3.12Å; M307-N317 HydrophobicContact CB-CB 4.45Å; M307-N317 PolarHBondContact N-OD1 3.28Å; M307-I354 HydrophobicContact CG-CG2 3.44Å; M307-I354 VanDerWaalsContact CG-CG2 3.44Å; M307-I354 HydrophobicContact SD-CG2 3.87Å; M307-I408 HydrophobicContact CB-CB 4.5Å; M307-I408 HydrophobicContact CB-CD1 4.17Å; M307-I408 HydrophobicContact CB-CG1 4.06Å; M307-I408 HydrophobicContact CB-CG2 3.82Å; M307-I408 HydrophobicContact CG-CG2 4.08Å
308	N	95.3	Very high	92.2	Very high	41 Å²	41	32.4 Å²	32.4	22%	0.219	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.6	175.3	-73.6	34.3	0	0	0	109.9	R340 F404 G406 Y407 I408	N308-R340 PolarHBondContact OD1-NH1 3.28Å; N308-R340 PolarHBondContact OD1-NH2 2.88Å; N308-F404 HydrophobicContact CB-CE2 4.45Å; N308-G406 PolarHBondContact N-O 3.08Å; N308-Y407 HydrophobicContact CB-CD1 3.51Å; N308-Y407 HydrophobicContact CB-CE1 3.61Å; N308-Y407 CarbonylContact O-C 3.59Å; N308-Y407 VanDerWaalsContact O-CA 3.22Å; N308-Y407 WeakPolarHBondContact O-CA 3.5Å; N308-Y407 WeakPolarHBondContact O-CD1 3.33Å; N308-I408 PolarHBondContact O-N 3.24Å
309	C	94.6	Very high	93.1	Very high	22 Å²	22	27.3 Å²	27.3	15%	0.149	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.2	169.3	-174.4	0	0	0	0	109.8	Y315 I408	C309-Y315 HydrophobicContact CB-CD1 4.11Å; C309-Y315 VanDerWaalsContact CB-O 3.28Å; C309-Y315 WeakPolarHBondContact CB-O 3.29Å; C309-I408 WeakPolarHBondContact CA-O 3.38Å; C309-I408 HydrophobicContact CB-CG1 4.33Å
310	T	88.3	Confident	93.3	Very high	14 Å²	14	24.2 Å²	24.2	9%	0.086	13%	0.127	C	C	.	.	S	Bend	trans	-82.8	-29.9	-178.8	52.1	0	0	0	0	113.2	Y407 I408 H438 L439 Q442	T310-Y407 HydrophobicContact CG2-CD1 3.29Å; T310-Y407 HydrophobicContact CG2-CE1 3.79Å; T310-Y407 HydrophobicContact CG2-CG 3.92Å; T310-I408 PolarHBondContact N-O 3.23Å; T310-H438 PolarHBondContact O-CE1 3.46Å; T310-L439 HydrophobicContact CG2-CB 4.31Å; T310-L439 HydrophobicContact CG2-CG 3.91Å; T310-L439 VanDerWaalsContact OG1-CA 3.28Å; T310-L439 WeakPolarHBondContact OG1-CA 3.41Å; T310-L439 WeakPolarHBondContact OG1-CB 3.39Å; T310-Q442 HydrophobicContact CG2-CB 3.87Å; T310-Q442 HydrophobicContact CG2-CG 4.06Å
311	S	82.3	Confident	93.2	Very high	29 Å²	29	25.4 Å²	25.4	20%	0.203	14%	0.137	C	C	.	.	S	Bend	trans	-101.6	6	-171.6	52.5	0	0	0	0	114.2	S410	S311-S410 WeakPolarHBondContact OG-CB 3.48Å; S311-S410 PolarHBondContact OG-N 3.38Å; S311-S410 PolarHBondContact OG-OG 3.18Å
312	S	86.1	Confident	92.8	Very high	40 Å²	40	26.4 Å²	26.4	28%	0.28	14%	0.142	S	C	.	.			trans	-153.7	132.3	177.2	176.3	0	0	0	0	111.4	H314 Y315	S312-H314 PolarHBondContact O-N 3.26Å; S312-H314 PolarHBondContact OG-N 2.77Å; S312-Y315 PolarHBondContact OG-N 2.59Å; S312-Y315 VanDerWaalsContact OG-N 3.11Å
313	E	84.2	Confident	92.3	Very high	126 Å²	126	27.4 Å²	27.4	59%	0.589	15%	0.149	S	C	*	.	S	Bend	trans	-74.4	-6.8	173.4	-60.4	-168.7	173.3	0	0	113.5	Q338	E313-Q338 PolarHBondContact O-NE2 3.27Å; E313-Q338 PolarHBondContact O-OE1 2.88Å
314	H	88.4	Confident	91.7	Very high	97 Å²	97	36 Å²	36	45%	0.449	19%	0.189	S	C	.	.	S	Bend	trans	-118.9	-27.5	-172.1	-58.5	-31.3	0	0	0	113.6	S312 Y334 F335	S312-H314 PolarHBondContact O-N 3.26Å; S312-H314 PolarHBondContact OG-N 2.77Å; H314-Y334 WeakPolarHBondContact O-CE1 3.5Å; H314-Y334 PolarHBondContact O-OH 3.39Å; H314-F335 AromaticContact ND1-CE1 3.5Å; H314-F335 WeakPolarHBondContact ND1-CE1 3.18Å; H314-F335 AromaticContact ND1-CZ 3.52Å
315	Y	91.3	Very high	90.8	Very high	63 Å²	63	41.3 Å²	41.3	25%	0.247	21%	0.214	C	C	.	.			trans	-78.6	147	-179.6	-172.8	-102.5	0	0	0	111.4	C309 S312 Q338 H352 I408 P411	C309-Y315 HydrophobicContact CB-CD1 4.11Å; C309-Y315 VanDerWaalsContact CB-O 3.28Å; C309-Y315 WeakPolarHBondContact CB-O 3.29Å; S312-Y315 PolarHBondContact OG-N 2.59Å; S312-Y315 VanDerWaalsContact OG-N 3.11Å; Y315-Q338 PolarHBondContact O-NE2 3.42Å; Y315-H352 AromaticContact CZ-CE1 3.66Å; Y315-H352 PolarHBondContact OH-CE1 3.13Å; Y315-I408 HydrophobicContact CD1-CD1 4.29Å; Y315-I408 HydrophobicContact CE1-CD1 3.86Å; Y315-P411 HydrophobicContact CD2-CG 4.38Å; Y315-P411 VanDerWaalsContact CE1-CD 3.47Å; Y315-P411 HydrophobicContact CE2-CG 3.82Å
316	S	93.1	Very high	90	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.014	21%	0.214	C	C	.	.			trans	-154.8	178.6	172.5	62.7	0	0	0	0	108.8	F318 Y334 H352	S316-F318 VanDerWaalsContact C-N 3.26Å; S316-F318 PolarHBondContact O-N 3.37Å; S316-F318 WeakPolarHBondContact OG-CD1 3.47Å; S316-F318 WeakPolarHBondContact OG-CE1 3.27Å; S316-F318 PolarHBondContact OG-O 3.24Å; S316-Y334 PolarHBondContact OG-OH 3.3Å; S316-H352 PolarHBondContact O-CE1 2.8Å; S316-H352 PolarHBondContact O-NE2 2.7Å
317	N	96.7	Very high	89.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-87	23.2	179.3	70.5	-51.5	0	0	0	115.1	P305 M307 V351 H352 I408	P305-N317 PolarHBondContact O-ND2 3.05Å; M307-N317 HydrophobicContact CB-CB 4.45Å; M307-N317 PolarHBondContact N-OD1 3.28Å; N317-V351 WeakPolarHBondContact O-CA 3.05Å; N317-H352 VanDerWaalsContact CA-CE1 3.43Å; N317-H352 WeakPolarHBondContact CA-CE1 3.42Å; N317-H352 WeakPolarHBondContact CB-O 3.36Å; N317-H352 PolarHBondContact O-N 2.69Å; N317-I408 HydrophobicContact CB-CD1 3.95Å
318	F	96.6	Very high	88.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.9	-178.3	81	-82.7	0	0	0	112.3	L306 S316 Y334 I337 Q338 V348 M350 V351 L399	L306-F318 HydrophobicContact CD1-CD1 3.87Å; L306-F318 HydrophobicContact CD1-CE1 3.77Å; S316-F318 VanDerWaalsContact C-N 3.26Å; S316-F318 PolarHBondContact O-N 3.37Å; S316-F318 WeakPolarHBondContact OG-CD1 3.47Å; S316-F318 WeakPolarHBondContact OG-CE1 3.27Å; S316-F318 PolarHBondContact OG-O 3.24Å; F318-Y334 HydrophobicContact CD2-CD2 4.44Å; F318-Y334 HydrophobicContact CD2-CE2 4.33Å; F318-Y334 HydrophobicContact CE1-CD2 4.5Å; F318-Y334 HydrophobicContact CE1-CE2 4.11Å; F318-Y334 AromaticContact CE2-CD2 3.59Å; F318-Y334 HydrophobicContact CE2-CD2 3.59Å; F318-Y334 AromaticContact CE2-CE2 3.79Å; F318-Y334 HydrophobicContact CE2-CE2 3.79Å; F318-Y334 AromaticContact CZ-CD2 3.61Å; F318-Y334 HydrophobicContact CZ-CD2 3.61Å; F318-Y334 AromaticContact CZ-CE2 3.66Å; F318-Y334 HydrophobicContact CZ-CE2 3.66Å; F318-Y334 HydrophobicContact CZ-CG 4.32Å; F318-I337 HydrophobicContact CE1-CG2 4.45Å; F318-I337 HydrophobicContact CZ-CB 4.29Å; F318-I337 HydrophobicContact CZ-CG2 3.99Å; F318-Q338 HydrophobicContact CE1-CB 4.3Å; F318-Q338 HydrophobicContact CZ-CB 4.48Å; F318-V348 HydrophobicContact CD2-CB 4.21Å; F318-V348 HydrophobicContact CD2-CG1 3.73Å; F318-V348 HydrophobicContact CE2-CG1 4.21Å; F318-M350 CarbonylContact C-O 3.54Å; F318-M350 VanDerWaalsContact CA-O 3.27Å; F318-M350 WeakPolarHBondContact CA-O 3.49Å; F318-M350 WeakPolarHBondContact CB-O 3.14Å; F318-V351 HydrophobicContact CB-CG1 4.4Å; F318-L399 HydrophobicContact CB-CD1 4Å; F318-L399 HydrophobicContact CB-CD2 4.13Å; F318-L399 HydrophobicContact CD1-CD1 4.32Å; F318-L399 HydrophobicContact CD1-CD2 3.43Å; F318-L399 VanDerWaalsContact CD1-CD2 3.43Å; F318-L399 HydrophobicContact CD2-CD2 3.9Å; F318-L399 HydrophobicContact CE1-CD2 3.71Å; F318-L399 HydrophobicContact CE2-CD2 4.14Å; F318-L399 HydrophobicContact CG-CD1 4.29Å; F318-L399 HydrophobicContact CG-CD2 3.54Å; F318-L399 HydrophobicContact CG-CG 4.48Å; F318-L399 HydrophobicContact CZ-CD2 4.06Å
319	W	94.5	Very high	88.5	Confident	41 Å²	41	53.3 Å²	53.3	16%	0.155	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.3	168.5	-61.8	-1.2	0	0	0	109.8	A321 M322 G326 Y328 A349 M350 I383	W319-A321 VanDerWaalsContact C-N 3.34Å; W319-M322 HydrophobicContact CE3-CE 4.21Å; W319-M322 HydrophobicContact CE3-CG 3.59Å; W319-M322 HydrophobicContact CE3-SD 4Å; W319-M322 HydrophobicContact CZ3-CE 4.03Å; W319-M322 HydrophobicContact CZ3-CG 4.14Å; W319-M322 HydrophobicContact CZ3-SD 4.42Å; W319-G326 WeakPolarHBondContact CZ3-O 3.35Å; W319-Y328 HydrophobicContact CB-CD2 4.01Å; W319-Y328 HydrophobicContact CB-CE2 4.47Å; W319-Y328 AromaticContact CD1-CD2 3.62Å; W319-Y328 AromaticContact CD2-CD2 3.81Å; W319-Y328 HydrophobicContact CD2-CD2 3.81Å; W319-Y328 HydrophobicContact CD2-CG 4.39Å; W319-Y328 HydrophobicContact CE3-CD2 4.48Å; W319-Y328 AromaticContact CG-CD2 3.56Å; W319-Y328 HydrophobicContact CG-CD2 3.56Å; W319-Y328 HydrophobicContact CG-CE2 4.28Å; W319-Y328 AromaticContact NE1-CD2 3.95Å; W319-A349 PolarHBondContact O-N 3.03Å; W319-M350 HydrophobicContact CB-CB 4.17Å; W319-M350 HydrophobicContact CD2-CE 3.71Å; W319-M350 HydrophobicContact CD2-SD 3.77Å; W319-M350 HydrophobicContact CE3-CE 3.34Å; W319-M350 HydrophobicContact CE3-SD 4.03Å; W319-M350 HydrophobicContact CG-CB 4.44Å; W319-M350 HydrophobicContact CG-SD 4.11Å; W319-M350 HydrophobicContact CH2-CE 3.65Å; W319-M350 HydrophobicContact CZ2-CE 3.99Å; W319-M350 HydrophobicContact CZ2-SD 4.35Å; W319-M350 HydrophobicContact CZ3-CE 3.31Å; W319-M350 HydrophobicContact CZ3-SD 4.43Å; W319-M350 PolarHBondContact N-O 3.2Å; W319-M350 PolarHBondContact O-N 3.46Å; W319-I383 HydrophobicContact CZ2-CD1 4.25Å
320	G	91.3	Very high	88.3	Confident	19 Å²	19	58.5 Å²	58.5	20%	0.196	28%	0.28	C	S	.	.	S	Bend	trans	-74.3	-23.3	179.7	0	0	0	0	0	114.1	S331	G320-S331 WeakPolarHBondContact CA-OG 3.3Å
321	A	91.4	Very high	88.4	Confident	29 Å²	29	59.3 Å²	59.3	24%	0.24	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	162.4	175.3	0	0	0	0	0	110.7	W319 L329	W319-A321 VanDerWaalsContact C-N 3.34Å; A321-L329 CarbonylContact C-O 3.58Å; A321-L329 HydrophobicContact CB-CB 3.85Å; A321-L329 PolarHBondContact N-O 2.99Å; A321-L329 PolarHBondContact O-N 3.03Å
322	M	87.1	Confident	88.7	Confident	29 Å²	29	66.1 Å²	66.1	14%	0.143	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.4	177.8	-79.1	174.5	78.8	0	0	111.1	W319 G326 Y327 A349 M350 I384	W319-M322 HydrophobicContact CE3-CE 4.21Å; W319-M322 HydrophobicContact CE3-CG 3.59Å; W319-M322 HydrophobicContact CE3-SD 4Å; W319-M322 HydrophobicContact CZ3-CE 4.03Å; W319-M322 HydrophobicContact CZ3-CG 4.14Å; W319-M322 HydrophobicContact CZ3-SD 4.42Å; M322-G326 VanDerWaalsContact CE-O 3.25Å; M322-G326 WeakPolarHBondContact CE-O 3.31Å; M322-Y327 CarbonylContact C-O 3.53Å; M322-Y327 VanDerWaalsContact CA-O 3.28Å; M322-Y327 WeakPolarHBondContact CA-O 3.22Å; M322-A349 HydrophobicContact CB-CB 4.18Å; M322-A349 HydrophobicContact CG-CB 3.8Å; M322-A349 HydrophobicContact SD-CB 4.04Å; M322-M350 HydrophobicContact CE-CE 3.87Å; M322-M350 HydrophobicContact SD-CB 3.9Å; M322-M350 HydrophobicContact SD-CE 4.06Å; M322-I384 HydrophobicContact CE-CG2 4.49Å
323	S	87.6	Confident	89	Confident	20 Å²	20	67.1 Å²	67.1	14%	0.14	32%	0.315	C	S	.	.			trans	-71.5	166.2	170.8	83.3	0	0	0	0	111.2	E325 G326 Y327 R388	S323-E325 VanDerWaalsContact CB-OE2 3.26Å; S323-E325 WeakPolarHBondContact CB-OE2 3.47Å; S323-E325 PolarHBondContact O-N 2.79Å; S323-E325 PolarHBondContact OG-N 2.86Å; S323-E325 PolarHBondContact OG-OE2 3.12Å; S323-G326 WeakPolarHBondContact O-CA 3.25Å; S323-G326 PolarHBondContact O-N 3.39Å; S323-G326 PolarHBondContact OG-N 2.9Å; S323-Y327 PolarHBondContact N-O 3.43Å; S323-Y327 PolarHBondContact OG-N 2.89Å; S323-R388 PolarHBondContact O-NH2 2.77Å
324	E	84.3	Confident	89.4	Confident	180 Å²	180	61.4 Å²	61.4	84%	0.841	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-30	175.1	-70.1	-173.9	-179.2	0	0	112.4	G326 R388	E324-G326 VanDerWaalsContact C-N 3.33Å; E324-R388 PolarHBondContact O-NH2 3.35Å
325	E	80.6	Confident	89.7	Confident	113 Å²	113	59.1 Å²	59.1	53%	0.528	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.5	175.5	-52.3	77	-168.2	0	0	113	S323 Y327 R388	S323-E325 VanDerWaalsContact CB-OE2 3.26Å; S323-E325 WeakPolarHBondContact CB-OE2 3.47Å; S323-E325 PolarHBondContact O-N 2.79Å; S323-E325 PolarHBondContact OG-N 2.86Å; S323-E325 PolarHBondContact OG-OE2 3.12Å; E325-Y327 HydrophobicContact CB-CD2 3.89Å; E325-Y327 HydrophobicContact CB-CE2 4.06Å; E325-R388 VanDerWaalsContact C-NH2 3.29Å
326	G	79.8	Confident	89.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	97.5	21.3	175.6	0	0	0	0	0	114.3	W319 M322 S323 E324	W319-G326 WeakPolarHBondContact CZ3-O 3.35Å; M322-G326 VanDerWaalsContact CE-O 3.25Å; M322-G326 WeakPolarHBondContact CE-O 3.31Å; S323-G326 WeakPolarHBondContact O-CA 3.25Å; S323-G326 PolarHBondContact O-N 3.39Å; S323-G326 PolarHBondContact OG-N 2.9Å; E324-G326 VanDerWaalsContact C-N 3.33Å
327	Y	84.4	Confident	89.8	Confident	133 Å²	133	58.5 Å²	58.5	52%	0.522	28%	0.278	S	S	.	.			trans	-89.4	156.8	173.1	-68.9	-78.6	0	0	0	111.6	M322 S323 E325 L329 P379	M322-Y327 CarbonylContact C-O 3.53Å; M322-Y327 VanDerWaalsContact CA-O 3.28Å; M322-Y327 WeakPolarHBondContact CA-O 3.22Å; S323-Y327 PolarHBondContact N-O 3.43Å; S323-Y327 PolarHBondContact OG-N 2.89Å; E325-Y327 HydrophobicContact CB-CD2 3.89Å; E325-Y327 HydrophobicContact CB-CE2 4.06Å; Y327-L329 PolarHBondContact O-N 3.24Å; Y327-P379 HydrophobicContact CE1-CG 4.09Å; Y327-P379 HydrophobicContact CE2-CG 4.13Å; Y327-P379 WeakPolarHBondContact OH-CG 3.42Å
328	Y	86.9	Confident	89.7	Confident	77 Å²	77	59.8 Å²	59.8	30%	0.302	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	130.4	176.2	172.7	-95.6	0	0	0	112	W319 R330 Y334	W319-Y328 HydrophobicContact CB-CD2 4.01Å; W319-Y328 HydrophobicContact CB-CE2 4.47Å; W319-Y328 AromaticContact CD1-CD2 3.62Å; W319-Y328 AromaticContact CD2-CD2 3.81Å; W319-Y328 HydrophobicContact CD2-CD2 3.81Å; W319-Y328 HydrophobicContact CD2-CG 4.39Å; W319-Y328 HydrophobicContact CE3-CD2 4.48Å; W319-Y328 AromaticContact CG-CD2 3.56Å; W319-Y328 HydrophobicContact CG-CD2 3.56Å; W319-Y328 HydrophobicContact CG-CE2 4.28Å; W319-Y328 AromaticContact NE1-CD2 3.95Å; Y328-R330 HydrophobicContact CE1-CB 4.06Å; Y328-Y334 HydrophobicContact CE2-CE2 4.12Å
329	L	89.4	Confident	89.5	Confident	86 Å²	86	64.6 Å²	64.6	45%	0.45	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.1	162	-66.4	178.9	0	0	0	108.9	A321 Y327 S331	A321-L329 CarbonylContact C-O 3.58Å; A321-L329 HydrophobicContact CB-CB 3.85Å; A321-L329 PolarHBondContact N-O 2.99Å; A321-L329 PolarHBondContact O-N 3.03Å; Y327-L329 PolarHBondContact O-N 3.24Å; L329-S331 PolarHBondContact O-N 3.33Å
330	R	89.5	Confident	89.4	Confident	131 Å²	131	64.6 Å²	64.6	49%	0.494	30%	0.304	S	S	.	.			trans	-77.1	118	174.8	-176.6	174.2	-64.6	177	-2.2	109.2	Y328 Y334	Y328-R330 HydrophobicContact CE1-CB 4.06Å; R330-Y334 HydrophobicContact CG-CG 4.34Å
331	S	90.4	Very high	89.4	Confident	31 Å²	31	69.9 Å²	69.9	22%	0.217	32%	0.318	C	S	.	.			trans	-73	159.1	170.5	65.6	0	0	0	0	111.6	G320 L329 H333 Y334	G320-S331 WeakPolarHBondContact CA-OG 3.3Å; L329-S331 PolarHBondContact O-N 3.33Å; S331-H333 VanDerWaalsContact C-N 3.31Å; S331-H333 PolarHBondContact O-N 3.3Å; S331-Y334 WeakPolarHBondContact O-CB 3.5Å; S331-Y334 PolarHBondContact O-N 3.35Å; S331-Y334 PolarHBondContact OG-N 2.73Å
332	E	89.8	Confident	89.3	Confident	171 Å²	171	69.7 Å²	69.7	80%	0.799	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-46.4	178.8	-176.5	177.4	173.5	0	0	112.3
333	H	90.8	Very high	89.5	Confident	62 Å²	62	72.1 Å²	72.1	29%	0.287	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	9.9	-175.8	-58.6	-50.7	0	0	0	114.6	S331 F335 D336 I337 I342	S331-H333 VanDerWaalsContact C-N 3.31Å; S331-H333 PolarHBondContact O-N 3.3Å; H333-F335 VanDerWaalsContact C-N 3.35Å; H333-F335 PolarHBondContact O-N 2.91Å; H333-D336 IonicContact ND1-OD2 3.01Å; H333-D336 PolarHBondContact O-N 3.31Å; H333-I337 HydrophobicContact CB-CD1 4.46Å; H333-I337 WeakPolarHBondContact O-CG1 3.48Å; H333-I337 PolarHBondContact O-N 3.39Å; H333-I342 HydrophobicContact CB-CD1 4.17Å
334	Y	94.1	Very high	89.6	Confident	6 Å²	6	71.2 Å²	71.2	2%	0.024	32%	0.318	C	S	.	.	H	α-helix	trans	-51.6	-50.8	-175	179	-91.4	0	0	0	112.7	H314 S316 F318 Y328 R330 S331 Q338	H314-Y334 WeakPolarHBondContact O-CE1 3.5Å; H314-Y334 PolarHBondContact O-OH 3.39Å; S316-Y334 PolarHBondContact OG-OH 3.3Å; F318-Y334 HydrophobicContact CD2-CD2 4.44Å; F318-Y334 HydrophobicContact CD2-CE2 4.33Å; F318-Y334 HydrophobicContact CE1-CD2 4.5Å; F318-Y334 HydrophobicContact CE1-CE2 4.11Å; F318-Y334 AromaticContact CE2-CD2 3.59Å; F318-Y334 HydrophobicContact CE2-CD2 3.59Å; F318-Y334 AromaticContact CE2-CE2 3.79Å; F318-Y334 HydrophobicContact CE2-CE2 3.79Å; F318-Y334 AromaticContact CZ-CD2 3.61Å; F318-Y334 HydrophobicContact CZ-CD2 3.61Å; F318-Y334 AromaticContact CZ-CE2 3.66Å; F318-Y334 HydrophobicContact CZ-CE2 3.66Å; F318-Y334 HydrophobicContact CZ-CG 4.32Å; Y328-Y334 HydrophobicContact CE2-CE2 4.12Å; R330-Y334 HydrophobicContact CG-CG 4.34Å; S331-Y334 WeakPolarHBondContact O-CB 3.5Å; S331-Y334 PolarHBondContact O-N 3.35Å; S331-Y334 PolarHBondContact OG-N 2.73Å; Y334-Q338 VanDerWaalsContact O-CB 3.23Å; Y334-Q338 WeakPolarHBondContact O-CB 3.3Å; Y334-Q338 PolarHBondContact O-N 3.14Å
335	F	94	Very high	90	Very high	48 Å²	48	62.7 Å²	62.7	21%	0.211	28%	0.278	C	S	.	.	H	α-helix	trans	-72.7	-28.7	-179.8	-73.6	-59.9	0	0	0	113.5	H314 H333 Q338 K339	H314-F335 AromaticContact ND1-CE1 3.5Å; H314-F335 WeakPolarHBondContact ND1-CE1 3.18Å; H314-F335 AromaticContact ND1-CZ 3.52Å; H333-F335 VanDerWaalsContact C-N 3.35Å; H333-F335 PolarHBondContact O-N 2.91Å; F335-Q338 VanDerWaalsContact CD1-OE1 3.23Å; F335-K339 WeakPolarHBondContact O-CB 3.46Å; F335-K339 WeakPolarHBondContact O-CG 3.49Å; F335-K339 PolarHBondContact O-N 3.37Å
336	D	93.4	Very high	90.5	Very high	43 Å²	43	57.5 Å²	57.5	23%	0.23	25%	0.254	C	S	.	.	H	α-helix	trans	-71.8	-36.6	179	-60.6	-39.1	0	0	0	110.6	H333 R340 R341 I342	H333-D336 IonicContact ND1-OD2 3.01Å; H333-D336 PolarHBondContact O-N 3.31Å; D336-R340 CarbonylContact O-C 3.56Å; D336-R340 PolarHBondContact O-N 3.19Å; D336-R341 HydrophobicContact CB-CB 4.15Å; D336-R341 PolarHBondContact O-N 3.32Å; D336-R341 WeakPolarHBondContact OD1-CD 3.3Å; D336-R341 IonicContact OD1-CZ 3.3Å; D336-R341 IonicContact OD1-NE 3.88Å; D336-R341 IonicContact OD1-NH1 2.82Å; D336-R341 PolarHBondContact OD1-NH1 2.82Å; D336-I342 HydrophobicContact CB-CD1 4.12Å; D336-I342 HydrophobicContact CB-CG1 3.89Å; D336-I342 PolarHBondContact O-N 3.32Å; D336-I342 VanDerWaalsContact O-N 3.16Å
337	I	93.4	Very high	91.1	Very high	10 Å²	10	60.3 Å²	60.3	5%	0.051	27%	0.272	C	S	.	.	H	α-helix	trans	-68.8	-53.1	170.4	-63.5	174.7	0	0	0	110.5	L306 F318 H333 K339 R340 I342 Y346 L399 N401	L306-I337 WeakPolarHBondContact CD2-O 3.27Å; F318-I337 HydrophobicContact CE1-CG2 4.45Å; F318-I337 HydrophobicContact CZ-CB 4.29Å; F318-I337 HydrophobicContact CZ-CG2 3.99Å; H333-I337 HydrophobicContact CB-CD1 4.46Å; H333-I337 WeakPolarHBondContact O-CG1 3.48Å; H333-I337 PolarHBondContact O-N 3.39Å; I337-K339 VanDerWaalsContact C-N 3.34Å; I337-K339 PolarHBondContact O-N 3.11Å; I337-R340 PolarHBondContact O-N 3.28Å; I337-I342 HydrophobicContact CG1-CD1 3.84Å; I337-I342 HydrophobicContact CG1-CG1 4.03Å; I337-Y346 HydrophobicContact CD1-CD2 4.11Å; I337-Y346 HydrophobicContact CD1-CG 4.08Å; I337-Y346 HydrophobicContact CG1-CD2 4.1Å; I337-Y346 HydrophobicContact CG1-CE2 4.31Å; I337-Y346 HydrophobicContact CG2-CD2 4.38Å; I337-L399 HydrophobicContact CG2-CD2 3.7Å; I337-N401 PolarHBondContact O-ND2 3.16Å
338	Q	94.5	Very high	91.5	Very high	26 Å²	26	54.6 Å²	54.6	12%	0.121	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-42.1	-176.4	-172.7	-147.8	26.2	0	0	112.2	E313 Y315 F318 Y334 F335 R340	E313-Q338 PolarHBondContact O-NE2 3.27Å; E313-Q338 PolarHBondContact O-OE1 2.88Å; Y315-Q338 PolarHBondContact O-NE2 3.42Å; F318-Q338 HydrophobicContact CE1-CB 4.3Å; F318-Q338 HydrophobicContact CZ-CB 4.48Å; Y334-Q338 VanDerWaalsContact O-CB 3.23Å; Y334-Q338 WeakPolarHBondContact O-CB 3.3Å; Y334-Q338 PolarHBondContact O-N 3.14Å; F335-Q338 VanDerWaalsContact CD1-OE1 3.23Å; Q338-R340 VanDerWaalsContact C-N 3.26Å; Q338-R340 PolarHBondContact O-N 3.12Å
339	K	91.9	Very high	91.8	Very high	101 Å²	101	51.9 Å²	51.9	44%	0.439	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	7.6	178.9	-59.7	-175.5	176.1	-169.7	0	112.8	F335 I337 R341	F335-K339 WeakPolarHBondContact O-CB 3.46Å; F335-K339 WeakPolarHBondContact O-CG 3.49Å; F335-K339 PolarHBondContact O-N 3.37Å; I337-K339 VanDerWaalsContact C-N 3.34Å; I337-K339 PolarHBondContact O-N 3.11Å; K339-R341 HydrophobicContact CB-CG 4.31Å; K339-R341 PolarHBondContact O-N 2.87Å; K339-R341 VanDerWaalsContact O-N 3.17Å
340	R	92.1	Very high	92.1	Very high	42 Å²	42	47.9 Å²	47.9	16%	0.158	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	34.1	-178	-62.6	-177.4	179.1	79	-1.6	113.7	L306 N308 D336 I337 Q338 I342 Q343 N401 Q403	L306-R340 HydrophobicContact CD2-CG 4.16Å; L306-R340 PolarHBondContact O-NH2 3.47Å; L306-R340 VanDerWaalsContact O-NH2 3.13Å; N308-R340 PolarHBondContact OD1-NH1 3.28Å; N308-R340 PolarHBondContact OD1-NH2 2.88Å; D336-R340 CarbonylContact O-C 3.56Å; D336-R340 PolarHBondContact O-N 3.19Å; I337-R340 PolarHBondContact O-N 3.28Å; Q338-R340 VanDerWaalsContact C-N 3.26Å; Q338-R340 PolarHBondContact O-N 3.12Å; R340-I342 VanDerWaalsContact C-N 3.27Å; R340-Q343 HydrophobicContact CB-CG 4Å; R340-N401 WeakPolarHBondContact CD-O 2.98Å; R340-N401 HydrophobicContact CG-CB 4.25Å; R340-N401 PolarHBondContact NE-O 2.9Å; R340-Q403 PolarHBondContact NE-O 3.37Å; R340-Q403 VanDerWaalsContact NE-O 3.15Å; R340-Q403 PolarHBondContact NH2-O 2.95Å
341	R	91.9	Very high	92.5	Very high	130 Å²	130	41.8 Å²	41.8	49%	0.491	20%	0.201	S	C	.	.	S	Bend	trans	-70.3	-31.1	169.5	-66.3	171.2	175.2	175	-5.1	110.9	Y80 D336 K339	Y80-R341 PolarHBondContact OH-NH1 2.89Å; Y80-R341 VanDerWaalsContact OH-NH1 3.13Å; D336-R341 HydrophobicContact CB-CB 4.15Å; D336-R341 PolarHBondContact O-N 3.32Å; D336-R341 WeakPolarHBondContact OD1-CD 3.3Å; D336-R341 IonicContact OD1-CZ 3.3Å; D336-R341 IonicContact OD1-NE 3.88Å; D336-R341 IonicContact OD1-NH1 2.82Å; D336-R341 PolarHBondContact OD1-NH1 2.82Å; K339-R341 HydrophobicContact CB-CG 4.31Å; K339-R341 PolarHBondContact O-N 2.87Å; K339-R341 VanDerWaalsContact O-N 3.17Å
342	I	89.8	Confident	92.8	Very high	24 Å²	24	40.7 Å²	40.7	12%	0.123	19%	0.192	C	C	.	.	S	Bend	trans	-119.1	134.3	163.6	58.6	174.7	0	0	0	107.9	L292 H333 D336 I337 R340 N401	L292-I342 HydrophobicContact CD1-CD1 3.46Å; L292-I342 VanDerWaalsContact CD1-CD1 3.46Å; L292-I342 HydrophobicContact CG-CD1 4.29Å; H333-I342 HydrophobicContact CB-CD1 4.17Å; D336-I342 HydrophobicContact CB-CD1 4.12Å; D336-I342 HydrophobicContact CB-CG1 3.89Å; D336-I342 PolarHBondContact O-N 3.32Å; D336-I342 VanDerWaalsContact O-N 3.16Å; I337-I342 HydrophobicContact CG1-CD1 3.84Å; I337-I342 HydrophobicContact CG1-CG1 4.03Å; R340-I342 VanDerWaalsContact C-N 3.27Å; I342-N401 PolarHBondContact O-ND2 3.37Å
343	Q	91	Very high	93.1	Very high	80 Å²	80	33.2 Å²	33.2	37%	0.374	16%	0.159	S	C	.	.			trans	-119	142.6	-177.4	-68	-177.5	0.1	0	0	110.1	K289 R340 Y346 N401	K289-Q343 CarbonylContact C-O 3.53Å; R340-Q343 HydrophobicContact CB-CG 4Å; Q343-Y346 PolarHBondContact O-OH 2.92Å; Q343-Y346 VanDerWaalsContact O-OH 3.04Å; Q343-N401 VanDerWaalsContact CA-OD1 3.25Å; Q343-N401 WeakPolarHBondContact CA-OD1 3.46Å
344	G	90.5	Very high	93.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	162.1	-169	-176.4	0	0	0	0	0	112	N401	G344-N401 PolarHBondContact N-OD1 3.32Å; G344-N401 PolarHBondContact O-N 2.9Å; G344-N401 PolarHBondContact O-OD1 2.97Å
345	V	91.8	Very high	93.7	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120	169	178.3	0	0	0	0	106	V279 H294 I296 I300 L303 Y398 L399 D400	V279-V345 HydrophobicContact CG1-CG2 3.88Å; H294-V345 PolarHBondContact CE1-O 3.08Å; H294-V345 PolarHBondContact NE2-O 3.05Å; I296-V345 HydrophobicContact CD1-CB 4.16Å; I300-V345 HydrophobicContact CD1-CG1 4.36Å; L303-V345 HydrophobicContact CD1-CG1 3.74Å; V345-Y398 HydrophobicContact CG1-CD1 3.94Å; V345-Y398 HydrophobicContact CG1-CG 4.31Å; V345-L399 CarbonylContact C-O 3.57Å; V345-L399 WeakPolarHBondContact CA-O 3.42Å; V345-D400 HydrophobicContact CG2-CB 4.16Å
346	Y	91.1	Very high	93.9	Very high	5 Å²	5	28 Å²	28	2%	0.02	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.4	-170.3	-62.9	-75.3	0	0	0	112.2	L292 H294 I337 Q343 Y398 L399	L292-Y346 HydrophobicContact CB-CE1 4.24Å; L292-Y346 HydrophobicContact CD1-CD1 4.41Å; L292-Y346 HydrophobicContact CD1-CE1 3.91Å; H294-Y346 AromaticContact CE1-CD1 3.38Å; H294-Y346 WeakPolarHBondContact CE1-CD1 3.34Å; H294-Y346 AromaticContact CE1-CE1 3.57Å; H294-Y346 AromaticContact ND1-CD1 3.98Å; H294-Y346 AromaticContact NE2-CD1 3.74Å; I337-Y346 HydrophobicContact CD1-CD2 4.11Å; I337-Y346 HydrophobicContact CD1-CG 4.08Å; I337-Y346 HydrophobicContact CG1-CD2 4.1Å; I337-Y346 HydrophobicContact CG1-CE2 4.31Å; I337-Y346 HydrophobicContact CG2-CD2 4.38Å; Q343-Y346 PolarHBondContact O-OH 2.92Å; Q343-Y346 VanDerWaalsContact O-OH 3.04Å; Y346-Y398 CarbonylContact O-C 3.52Å; Y346-Y398 WeakPolarHBondContact O-CA 3.28Å; Y346-L399 PolarHBondContact N-O 2.86Å; Y346-L399 PolarHBondContact O-N 3.11Å
347	P	92.2	Very high	94.2	Very high	58 Å²	58	26 Å²	26	38%	0.377	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	137.2	168.6	28.6	-34	0	0	0	110.1	H294 F397 Y398	H294-P347 WeakPolarHBondContact CD2-CD 3.37Å; P347-F397 CarbonylContact C-O 3.52Å; P347-F397 VanDerWaalsContact CA-O 3.27Å; P347-F397 WeakPolarHBondContact CA-O 3.45Å; P347-Y398 HydrophobicContact CB-CE1 4.22Å
348	V	93.9	Very high	94.4	Very high	14 Å²	14	25.7 Å²	25.7	9%	0.085	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	163.3	178.8	-64.2	0	0	0	0	109.9	F318 V351 F397 L399	F318-V348 HydrophobicContact CD2-CB 4.21Å; F318-V348 HydrophobicContact CD2-CG1 3.73Å; F318-V348 HydrophobicContact CE2-CG1 4.21Å; V348-V351 HydrophobicContact CG2-CG1 3.61Å; V348-F397 HydrophobicContact CG2-CB 3.89Å; V348-F397 PolarHBondContact N-O 2.89Å; V348-F397 WeakPolarHBondContact O-CB 3.44Å; V348-L399 HydrophobicContact CG1-CB 3.87Å; V348-L399 HydrophobicContact CG1-CD2 4.4Å; V348-L399 HydrophobicContact CG2-CB 4.1Å
349	A	93.4	Very high	94.5	Very high	20 Å²	20	25.4 Å²	25.4	17%	0.165	12%	0.122	C	C	.	.	S	Bend	trans	-77.8	-27.3	-176.8	0	0	0	0	0	113.2	W319 M322 S387 F397	W319-A349 PolarHBondContact O-N 3.03Å; M322-A349 HydrophobicContact CB-CB 4.18Å; M322-A349 HydrophobicContact CG-CB 3.8Å; M322-A349 HydrophobicContact SD-CB 4.04Å; A349-S387 PolarHBondContact O-OG 2.88Å; A349-F397 WeakPolarHBondContact O-CD2 3.45Å
350	M	94.5	Very high	94.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	146.7	-178.3	-177.5	-147	-79.1	0	0	110	F318 W319 M322 I383 I384	F318-M350 CarbonylContact C-O 3.54Å; F318-M350 VanDerWaalsContact CA-O 3.27Å; F318-M350 WeakPolarHBondContact CA-O 3.49Å; F318-M350 WeakPolarHBondContact CB-O 3.14Å; W319-M350 HydrophobicContact CB-CB 4.17Å; W319-M350 HydrophobicContact CD2-CE 3.71Å; W319-M350 HydrophobicContact CD2-SD 3.77Å; W319-M350 HydrophobicContact CE3-CE 3.34Å; W319-M350 HydrophobicContact CE3-SD 4.03Å; W319-M350 HydrophobicContact CG-CB 4.44Å; W319-M350 HydrophobicContact CG-SD 4.11Å; W319-M350 HydrophobicContact CH2-CE 3.65Å; W319-M350 HydrophobicContact CZ2-CE 3.99Å; W319-M350 HydrophobicContact CZ2-SD 4.35Å; W319-M350 HydrophobicContact CZ3-CE 3.31Å; W319-M350 HydrophobicContact CZ3-SD 4.43Å; W319-M350 PolarHBondContact N-O 3.2Å; W319-M350 PolarHBondContact O-N 3.46Å; M322-M350 HydrophobicContact CE-CE 3.87Å; M322-M350 HydrophobicContact SD-CB 3.9Å; M322-M350 HydrophobicContact SD-CE 4.06Å; M350-I383 HydrophobicContact CE-CB 4.36Å; M350-I383 HydrophobicContact CE-CD1 3.97Å; M350-I383 HydrophobicContact CE-CG1 3.69Å; M350-I383 HydrophobicContact SD-CB 4.05Å; M350-I383 HydrophobicContact SD-CD1 3.59Å; M350-I383 VanDerWaalsContact SD-CD1 3.59Å; M350-I383 HydrophobicContact SD-CG1 3.72Å; M350-I384 HydrophobicContact CE-CG1 4.15Å
351	V	97.3	Very high	94.8	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	151.5	164.1	-58.9	0	0	0	0	109.6	I302 A304 N317 F318 V348 F355 F397	I302-V351 HydrophobicContact CG2-CG2 4.17Å; A304-V351 HydrophobicContact CB-CB 3.56Å; A304-V351 HydrophobicContact CB-CG1 3.5Å; A304-V351 HydrophobicContact CB-CG2 3.96Å; N317-V351 WeakPolarHBondContact O-CA 3.05Å; F318-V351 HydrophobicContact CB-CG1 4.4Å; V348-V351 HydrophobicContact CG2-CG1 3.61Å; V351-F355 HydrophobicContact CG2-CB 3.65Å; V351-F355 HydrophobicContact CG2-CD1 4.09Å; V351-F355 HydrophobicContact CG2-CG 3.9Å; V351-F397 HydrophobicContact CG1-CB 4.26Å; V351-F397 HydrophobicContact CG2-CD1 3.56Å; V351-F397 HydrophobicContact CG2-CE1 3.91Å; V351-F397 HydrophobicContact CG2-CG 4.39Å
352	H	96.7	Very high	94.8	Very high	9 Å²	9	28.2 Å²	28.2	4%	0.042	14%	0.137	C	C	.	.			trans	-146.5	178.4	176.1	64.1	78.7	0	0	0	111.1	Y315 S316 N317 I354 I383	Y315-H352 AromaticContact CZ-CE1 3.66Å; Y315-H352 PolarHBondContact OH-CE1 3.13Å; S316-H352 PolarHBondContact O-CE1 2.8Å; S316-H352 PolarHBondContact O-NE2 2.7Å; N317-H352 VanDerWaalsContact CA-CE1 3.43Å; N317-H352 WeakPolarHBondContact CA-CE1 3.42Å; N317-H352 WeakPolarHBondContact CB-O 3.36Å; N317-H352 PolarHBondContact O-N 2.69Å; H352-I354 PolarHBondContact O-N 3.38Å; H352-I383 HydrophobicContact CB-CB 4.3Å; H352-I383 HydrophobicContact CB-CD1 4.36Å; H352-I383 HydrophobicContact CB-CG2 3.86Å
353	S	97.2	Very high	95	Very high	14 Å²	14	30.7 Å²	30.7	10%	0.098	15%	0.148	C	C	.	.	S	Bend	trans	63.4	-44	179.4	-55.2	0	0	0	0	116.8	I261 D262 V265	I261-S353 CarbonylContact C-O 3.59Å; I261-S353 WeakPolarHBondContact CA-O 3.31Å; D262-S353 PolarHBondContact N-O 3.13Å; D262-S353 WeakPolarHBondContact OD2-CA 3.18Å; V265-S353 WeakPolarHBondContact CG2-O 3.14Å
354	I	98.6	Very high	95.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	126.7	170.6	-176.4	173.5	0	0	0	110.3	L259 S260 I261 V265 L267 A304 P305 M307 H352	L259-I354 HydrophobicContact CD1-CD1 4.29Å; L259-I354 HydrophobicContact CD1-CG1 3.88Å; S260-I354 VanDerWaalsContact O-CA 3.27Å; S260-I354 WeakPolarHBondContact O-CA 3.33Å; I261-I354 HydrophobicContact CB-CG1 4.33Å; I261-I354 HydrophobicContact CD1-CD1 3.7Å; I261-I354 HydrophobicContact CD1-CG1 4.25Å; I261-I354 HydrophobicContact CG1-CB 4.14Å; I261-I354 HydrophobicContact CG1-CD1 4.04Å; I261-I354 HydrophobicContact CG1-CG1 4.04Å; V265-I354 HydrophobicContact CG1-CB 4.17Å; V265-I354 HydrophobicContact CG1-CD1 4.16Å; V265-I354 HydrophobicContact CG1-CG2 4.14Å; V265-I354 HydrophobicContact CG2-CB 4.38Å; L267-I354 HydrophobicContact CD2-CD1 3.7Å; A304-I354 WeakPolarHBondContact CB-O 3.32Å; P305-I354 HydrophobicContact CG-CD1 3.88Å; P305-I354 HydrophobicContact CG-CG1 4.11Å; P305-I354 HydrophobicContact CG-CG2 3.84Å; M307-I354 HydrophobicContact CG-CG2 3.44Å; M307-I354 VanDerWaalsContact CG-CG2 3.44Å; M307-I354 HydrophobicContact SD-CG2 3.87Å; H352-I354 PolarHBondContact O-N 3.38Å
355	F	98.6	Very high	95.5	Very high	4 Å²	4	32 Å²	32	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	150.1	171	61.5	-90.1	0	0	0	111.5	S260 I302 A304 V351 V357 Y369 F386	S260-F355 PolarHBondContact N-O 3.47Å; S260-F355 PolarHBondContact O-N 2.95Å; I302-F355 HydrophobicContact CG2-CB 4.35Å; I302-F355 HydrophobicContact CG2-CD2 3.89Å; I302-F355 HydrophobicContact CG2-CG 4.42Å; A304-F355 HydrophobicContact CB-CB 3.92Å; V351-F355 HydrophobicContact CG2-CB 3.65Å; V351-F355 HydrophobicContact CG2-CD1 4.09Å; V351-F355 HydrophobicContact CG2-CG 3.9Å; F355-V357 HydrophobicContact CD2-CG2 3.81Å; F355-V357 HydrophobicContact CE2-CG2 3.64Å; F355-Y369 VanDerWaalsContact CZ-OH 3.22Å; F355-Y369 WeakPolarHBondContact CZ-OH 3.27Å; F355-F386 HydrophobicContact CD2-CE1 4.43Å; F355-F386 HydrophobicContact CE1-CE1 4.37Å; F355-F386 AromaticContact CE2-CE1 3.53Å; F355-F386 HydrophobicContact CE2-CE1 3.53Å; F355-F386 AromaticContact CE2-CZ 3.71Å; F355-F386 HydrophobicContact CE2-CZ 3.71Å; F355-F386 HydrophobicContact CZ-CD1 4.06Å; F355-F386 AromaticContact CZ-CE1 3.48Å; F355-F386 HydrophobicContact CZ-CE1 3.48Å; F355-F386 VanDerWaalsContact CZ-CE1 3.48Å; F355-F386 AromaticContact CZ-CZ 3.91Å; F355-F386 HydrophobicContact CZ-CZ 3.91Å
356	L	98.6	Very high	95.6	Very high	3 Å²	3	37 Å²	37	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136.2	178	-169.1	68.5	0	0	0	109.5	L152 F257 Y258 L259 L276 I277 M280 I302 L303	L152-L356 HydrophobicContact CD1-CD1 3.81Å; F257-L356 HydrophobicContact CB-CD1 3.9Å; F257-L356 HydrophobicContact CB-CG 4.44Å; F257-L356 HydrophobicContact CD1-CD1 4.32Å; F257-L356 HydrophobicContact CD1-CD2 3.85Å; F257-L356 HydrophobicContact CD1-CG 3.95Å; F257-L356 HydrophobicContact CE1-CD2 4.37Å; F257-L356 HydrophobicContact CG-CD1 4.49Å; Y258-L356 CarbonylContact O-C 3.6Å; Y258-L356 WeakPolarHBondContact O-CA 3.46Å; L259-L356 HydrophobicContact CB-CD1 3.97Å; L259-L356 HydrophobicContact CD1-CB 4.35Å; L259-L356 HydrophobicContact CD1-CD1 4.24Å; L276-L356 HydrophobicContact CB-CD2 3.91Å; I277-L356 HydrophobicContact CG1-CD2 3.65Å; M280-L356 HydrophobicContact CE-CB 4.2Å; M280-L356 HydrophobicContact CE-CD2 4.44Å; M280-L356 HydrophobicContact CE-CG 4.31Å; M280-L356 WeakPolarHBondContact CE-O 3.41Å; M280-L356 HydrophobicContact SD-CB 4.41Å; M280-L356 HydrophobicContact SD-CD2 3.6Å; M280-L356 HydrophobicContact SD-CG 3.98Å; I302-L356 WeakPolarHBondContact CA-O 3.4Å; L303-L356 PolarHBondContact N-O 2.66Å; L303-L356 PolarHBondContact O-N 2.76Å
357	V	98.5	Very high	95.8	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.1	173.3	-174.4	0	0	0	0	108.5	F257 Y258 I301 I302 F355 L359 I367	F257-V357 CarbonylContact C-O 3.57Å; F257-V357 VanDerWaalsContact CA-O 3.32Å; F257-V357 WeakPolarHBondContact CA-O 3.27Å; Y258-V357 HydrophobicContact CD1-CB 4.44Å; Y258-V357 HydrophobicContact CD1-CG2 4.12Å; Y258-V357 PolarHBondContact N-O 3.1Å; Y258-V357 PolarHBondContact O-N 2.76Å; I301-V357 HydrophobicContact CG2-CG1 4.45Å; I301-V357 CarbonylContact O-C 3.33Å; I301-V357 VanDerWaalsContact O-CA 3.32Å; I301-V357 WeakPolarHBondContact O-CA 3.34Å; I302-V357 HydrophobicContact CG1-CG2 4.47Å; F355-V357 HydrophobicContact CD2-CG2 3.81Å; F355-V357 HydrophobicContact CE2-CG2 3.64Å; V357-L359 HydrophobicContact CG1-CD2 3.91Å; V357-L359 PolarHBondContact O-N 3.05Å; V357-I367 HydrophobicContact CG1-CD1 3.9Å
358	N	97.6	Very high	96.1	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.011	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	108.6	169.7	-171.2	-25.9	0	0	0	109.3	F257 M280 I301 Q360 F361 S364	F257-N358 HydrophobicContact CD1-CB 4.03Å; F257-N358 HydrophobicContact CE1-CB 3.68Å; M280-N358 HydrophobicContact CE-CB 4.45Å; M280-N358 HydrophobicContact SD-CB 4.11Å; I301-N358 PolarHBondContact O-N 3.36Å; N358-Q360 VanDerWaalsContact C-N 3.28Å; N358-Q360 PolarHBondContact O-N 3.06Å; N358-Q360 VanDerWaalsContact OD1-CB 3.22Å; N358-Q360 WeakPolarHBondContact OD1-CB 3.09Å; N358-Q360 WeakPolarHBondContact OD1-CG 3.31Å; N358-Q360 PolarHBondContact OD1-N 2.57Å; N358-F361 HydrophobicContact CB-CD2 4.05Å; N358-F361 HydrophobicContact CB-CE2 4.28Å; N358-F361 VanDerWaalsContact ND2-CE2 3.33Å; N358-F361 WeakPolarHBondContact ND2-CE2 3.42Å; N358-S364 WeakPolarHBondContact O-CB 3.44Å
359	L	97.9	Very high	96.2	Very high	21 Å²	21	34.1 Å²	34.1	11%	0.11	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.8	-177.2	-63.8	179.1	0	0	0	112.9	L247 A250 R251 A255 D256 V357 F361 S364	L247-L359 HydrophobicContact CD1-CD2 4.22Å; A250-L359 HydrophobicContact CB-CD1 3.96Å; R251-L359 HydrophobicContact CG-CD1 4.46Å; R251-L359 HydrophobicContact CG-CD2 4.3Å; A255-L359 HydrophobicContact CB-CD1 4.31Å; A255-L359 WeakPolarHBondContact O-CB 3.38Å; A255-L359 WeakPolarHBondContact O-CD1 3.23Å; D256-L359 PolarHBondContact O-N 3.44Å; V357-L359 HydrophobicContact CG1-CD2 3.91Å; V357-L359 PolarHBondContact O-N 3.05Å; L359-F361 VanDerWaalsContact C-N 3.28Å; L359-F361 PolarHBondContact O-N 3.31Å; L359-S364 WeakPolarHBondContact CA-OG 3.49Å; L359-S364 PolarHBondContact O-OG 2.89Å
360	Q	94.9	Very high	96.3	Very high	103 Å²	103	35.8 Å²	35.8	48%	0.481	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.9	-179.2	-54.4	-178.2	-53.8	0	0	112.8	D256 N358	D256-Q360 HydrophobicContact CB-CG 4.05Å; D256-Q360 PolarHBondContact OD1-NE2 2.99Å; N358-Q360 VanDerWaalsContact C-N 3.28Å; N358-Q360 PolarHBondContact O-N 3.06Å; N358-Q360 VanDerWaalsContact OD1-CB 3.22Å; N358-Q360 WeakPolarHBondContact OD1-CB 3.09Å; N358-Q360 WeakPolarHBondContact OD1-CG 3.31Å; N358-Q360 PolarHBondContact OD1-N 2.57Å
361	F	94.2	Very high	96.3	Very high	49 Å²	49	41 Å²	41	22%	0.215	21%	0.205	C	C	.	.	S	Bend	trans	-93.6	137.1	178.2	-67.7	-75.4	0	0	0	111.8	N299 I301 N358 L359 Q363 S364	N299-F361 HydrophobicContact CB-CD1 4.37Å; N299-F361 HydrophobicContact CB-CE1 3.66Å; N299-F361 HydrophobicContact CB-CE2 4.22Å; N299-F361 HydrophobicContact CB-CZ 3.57Å; N299-F361 VanDerWaalsContact CG-CE1 3.46Å; N299-F361 WeakPolarHBondContact OD1-CE1 3.3Å; N299-F361 WeakPolarHBondContact OD1-CZ 3.39Å; I301-F361 HydrophobicContact CD1-CB 4.13Å; I301-F361 HydrophobicContact CD1-CG 4.43Å; I301-F361 HydrophobicContact CG1-CB 4.05Å; I301-F361 HydrophobicContact CG1-CD2 3.76Å; I301-F361 HydrophobicContact CG1-CE2 4.46Å; I301-F361 HydrophobicContact CG1-CG 4.03Å; N358-F361 HydrophobicContact CB-CD2 4.05Å; N358-F361 HydrophobicContact CB-CE2 4.28Å; N358-F361 VanDerWaalsContact ND2-CE2 3.33Å; N358-F361 WeakPolarHBondContact ND2-CE2 3.42Å; L359-F361 VanDerWaalsContact C-N 3.28Å; L359-F361 PolarHBondContact O-N 3.31Å; F361-Q363 PolarHBondContact O-N 2.7Å; F361-S364 VanDerWaalsContact O-CB 3.23Å; F361-S364 WeakPolarHBondContact O-CB 3.31Å; F361-S364 PolarHBondContact O-N 2.8Å; F361-S364 PolarHBondContact O-OG 3.11Å
362	Y	93.5	Very high	96	Very high	180 Å²	180	43 Å²	43	71%	0.706	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-59.1	-34.5	178.3	-179.1	-97.4	0	0	0	112.9	S364 E365	Y362-S364 PolarHBondContact O-N 3.12Å; Y362-E365 WeakPolarHBondContact O-CB 3.4Å; Y362-E365 PolarHBondContact O-N 3.18Å; Y362-E365 VanDerWaalsContact O-N 3.08Å
363	Q	94.1	Very high	95.7	Very high	76 Å²	76	43.6 Å²	43.6	36%	0.355	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-62.8	-23.6	177	-57.9	95.8	-60.5	0	0	112.5	I301 F361 E365 Q366 I395	I301-Q363 HydrophobicContact CD1-CB 3.85Å; F361-Q363 PolarHBondContact O-N 2.7Å; Q363-E365 PolarHBondContact O-N 3.05Å; Q363-Q366 WeakPolarHBondContact O-CB 3.14Å; Q363-Q366 PolarHBondContact O-N 3.31Å; Q363-I395 HydrophobicContact CB-CD1 3.85Å; Q363-I395 HydrophobicContact CB-CG1 4.21Å
364	S	95.5	Very high	95.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-65.9	-17.9	175	78.8	0	0	0	0	113.4	R251 N358 L359 F361 Y362 Q366 I367	R251-S364 PolarHBondContact NH2-O 3.11Å; N358-S364 WeakPolarHBondContact O-CB 3.44Å; L359-S364 WeakPolarHBondContact CA-OG 3.49Å; L359-S364 PolarHBondContact O-OG 2.89Å; F361-S364 VanDerWaalsContact O-CB 3.23Å; F361-S364 WeakPolarHBondContact O-CB 3.31Å; F361-S364 PolarHBondContact O-N 2.8Å; F361-S364 PolarHBondContact O-OG 3.11Å; Y362-S364 PolarHBondContact O-N 3.12Å; S364-Q366 VanDerWaalsContact C-N 3.26Å; S364-Q366 PolarHBondContact O-N 3.04Å; S364-I367 VanDerWaalsContact O-CG1 3.24Å; S364-I367 WeakPolarHBondContact O-CG1 3.36Å
365	E	95	Very high	94.7	Very high	109 Å²	109	55.8 Å²	55.8	51%	0.509	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-74.5	-16.8	172.7	-67.9	-70.1	166.8	0	0	112.5	R251 Y362 Q363	R251-E365 IonicContact NE-OE2 3.61Å; Y362-E365 WeakPolarHBondContact O-CB 3.4Å; Y362-E365 PolarHBondContact O-N 3.18Å; Y362-E365 VanDerWaalsContact O-N 3.08Å; Q363-E365 PolarHBondContact O-N 3.05Å
366	Q	94.6	Very high	94.2	Very high	105 Å²	105	58 Å²	58	49%	0.491	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-90.2	-9.6	-175.7	-56	-177	17.9	0	0	113.6	Q363 S364 A393	Q363-Q366 WeakPolarHBondContact O-CB 3.14Å; Q363-Q366 PolarHBondContact O-N 3.31Å; S364-Q366 VanDerWaalsContact C-N 3.26Å; S364-Q366 PolarHBondContact O-N 3.04Å; Q366-A393 HydrophobicContact CB-CB 3.87Å
367	I	95.8	Very high	93.7	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	34%	0.336	C	S	.	.			trans	-99.2	151	-178.4	64.7	171.6	0	0	0	110.9	R251 I302 V357 S364 F386 V390 A393 I395	R251-I367 PolarHBondContact NH2-O 3.41Å; I302-I367 HydrophobicContact CD1-CD1 3.82Å; I302-I367 HydrophobicContact CG1-CD1 4.3Å; V357-I367 HydrophobicContact CG1-CD1 3.9Å; S364-I367 VanDerWaalsContact O-CG1 3.24Å; S364-I367 WeakPolarHBondContact O-CG1 3.36Å; I367-F386 HydrophobicContact CB-CE2 4.39Å; I367-F386 HydrophobicContact CD1-CE2 4.26Å; I367-F386 HydrophobicContact CD1-CZ 4.07Å; I367-F386 HydrophobicContact CG1-CE2 4.45Å; I367-V390 HydrophobicContact CB-CG2 4.06Å; I367-V390 HydrophobicContact CD1-CG2 4.48Å; I367-V390 HydrophobicContact CG2-CB 4.36Å; I367-V390 HydrophobicContact CG2-CG2 3.79Å; I367-A393 HydrophobicContact CG2-CB 3.79Å; I367-I395 HydrophobicContact CG2-CD1 3.67Å
368	G	96.8	Very high	93.1	Very high	7 Å²	7	65.6 Å²	65.6	7%	0.072	35%	0.349	C	S	.	.			trans	177.3	165.5	-178.8	0	0	0	0	0	112.8	Q244 S389	Q244-G368 VanDerWaalsContact OE1-CA 3.29Å; G368-S389 PolarHBondContact N-OG 2.88Å; G368-S389 VanDerWaalsContact O-CB 3.3Å; G368-S389 WeakPolarHBondContact O-CB 3.39Å; G368-S389 PolarHBondContact O-OG 3.42Å
369	Y	96.9	Very high	92.8	Very high	6 Å²	6	67 Å²	67	2%	0.024	36%	0.358	C	S	.	.	S	Bend	trans	-84.9	-28	171.7	-63.6	-89	0	0	0	111.4	I240 R243 F355 D382 I385 F386	I240-Y369 WeakPolarHBondContact CG2-O 3.41Å; R243-Y369 HydrophobicContact CB-CD1 3.88Å; R243-Y369 HydrophobicContact CB-CD2 3.58Å; R243-Y369 HydrophobicContact CB-CE1 3.96Å; R243-Y369 HydrophobicContact CB-CE2 3.66Å; R243-Y369 HydrophobicContact CB-CG 3.68Å; R243-Y369 VanDerWaalsContact CD-CZ 3.44Å; R243-Y369 HydrophobicContact CG-CE1 4.3Å; F355-Y369 VanDerWaalsContact CZ-OH 3.22Å; F355-Y369 WeakPolarHBondContact CZ-OH 3.27Å; Y369-D382 HydrophobicContact CD1-CB 4.02Å; Y369-D382 WeakPolarHBondContact CD1-O 3.5Å; Y369-D382 HydrophobicContact CE1-CB 4.29Å; Y369-I385 WeakPolarHBondContact O-CG2 3.12Å; Y369-F386 HydrophobicContact CD1-CB 3.7Å; Y369-F386 HydrophobicContact CD1-CD2 4.23Å; Y369-F386 HydrophobicContact CD1-CG 4.21Å; Y369-F386 HydrophobicContact CD2-CD2 4Å; Y369-F386 HydrophobicContact CD2-CE2 4.5Å; Y369-F386 HydrophobicContact CE1-CB 3.6Å; Y369-F386 HydrophobicContact CE1-CD2 4.08Å; Y369-F386 AromaticContact CE1-CG 3.83Å; Y369-F386 HydrophobicContact CE1-CG 3.83Å; Y369-F386 AromaticContact CE2-CD2 3.85Å; Y369-F386 HydrophobicContact CE2-CD2 3.85Å; Y369-F386 HydrophobicContact CE2-CE2 4.12Å; Y369-F386 HydrophobicContact CE2-CG 4.36Å; Y369-F386 HydrophobicContact CG-CB 4.39Å; Y369-F386 HydrophobicContact CG-CD2 4.2Å; Y369-F386 AromaticContact CZ-CD2 3.91Å; Y369-F386 AromaticContact CZ-CG 3.94Å
370	S	95.6	Very high	92.5	Very high	55 Å²	55	68.3 Å²	68.3	39%	0.385	37%	0.367	S	S	.	.	S	Bend	trans	-145.7	142	-178.2	-174	0	0	0	0	111.5	Q244	Q244-S370 VanDerWaalsContact CD-O 3.32Å; Q244-S370 PolarHBondContact OE1-O 3.49Å
371	P	94	Very high	92.3	Very high	111 Å²	111	64.7 Å²	64.7	72%	0.721	35%	0.351	S	S	*	.	S	Bend	cis	-69.3	160.3	-8.2	31.7	-35.6	0	0	0	111.5
372	A	91.6	Very high	92.3	Very high	43 Å²	43	62.9 Å²	62.9	36%	0.355	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-59.7	151.8	170.2	0	0	0	0	0	110.7	Y376 I385	A372-Y376 HydrophobicContact CB-CD1 3.95Å; A372-Y376 HydrophobicContact CB-CG 4.42Å; A372-I385 HydrophobicContact CB-CD1 4.38Å; A372-I385 HydrophobicContact CB-CG1 4.45Å; A372-I385 HydrophobicContact CB-CG2 4.02Å
373	P	89.8	Confident	92.3	Very high	23 Å²	23	56.1 Å²	56.1	15%	0.149	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-53.7	146.9	179.3	-28.4	36.1	0	0	0	113.3	N375 Y376 R388	P373-N375 PolarHBondContact O-N 3.35Å; P373-Y376 WeakPolarHBondContact O-CB 3.49Å; P373-Y376 PolarHBondContact O-N 3.22Å; P373-R388 HydrophobicContact CG-CB 3.92Å
374	I	87.3	Confident	92.2	Very high	122 Å²	122	52.9 Å²	52.9	63%	0.626	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	131.8	177.5	-60.5	170.1	0	0	0	109.4	Y376	I374-Y376 VanDerWaalsContact C-N 3.25Å; I374-Y376 PolarHBondContact O-N 3.33Å
375	N	87.5	Confident	92.2	Very high	147 Å²	147	53.2 Å²	53.2	79%	0.786	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	14.9	-175.1	-51.7	-34.4	0	0	0	115.5	P373 T377	P373-N375 PolarHBondContact O-N 3.35Å; N375-T377 PolarHBondContact O-N 3.48Å
376	Y	88	Confident	92.2	Very high	50 Å²	50	48.2 Å²	48.2	20%	0.196	28%	0.282	C	S	.	.			trans	-64.7	123.8	171.9	-177.2	-109.3	0	0	0	111.1	A372 P373 I374 G378 P379 I384 I385 R388	A372-Y376 HydrophobicContact CB-CD1 3.95Å; A372-Y376 HydrophobicContact CB-CG 4.42Å; P373-Y376 WeakPolarHBondContact O-CB 3.49Å; P373-Y376 PolarHBondContact O-N 3.22Å; I374-Y376 VanDerWaalsContact C-N 3.25Å; I374-Y376 PolarHBondContact O-N 3.33Å; Y376-G378 VanDerWaalsContact CZ-C 3.5Å; Y376-G378 VanDerWaalsContact CZ-CA 3.41Å; Y376-G378 VanDerWaalsContact OH-C 3.28Å; Y376-G378 WeakPolarHBondContact OH-CA 3.39Å; Y376-P379 WeakPolarHBondContact CE1-O 3.44Å; Y376-P379 WeakPolarHBondContact OH-CD 3.22Å; Y376-P379 PolarHBondContact OH-O 3.35Å; Y376-I384 WeakPolarHBondContact OH-CG2 3.37Å; Y376-I385 HydrophobicContact CD1-CG1 4.2Å; Y376-I385 HydrophobicContact CE1-CD1 4.15Å; Y376-I385 HydrophobicContact CE1-CG1 3.57Å; Y376-R388 HydrophobicContact CD2-CB 4.38Å; Y376-R388 HydrophobicContact CD2-CG 4.07Å; Y376-R388 HydrophobicContact CE2-CB 4.34Å; Y376-R388 HydrophobicContact CE2-CG 3.64Å
377	T	88	Confident	92.2	Very high	138 Å²	138	43.2 Å²	43.2	85%	0.847	26%	0.259	S	S	*	.			trans	-124.1	8.8	179.5	52.2	0	0	0	0	112.4	N375	N375-T377 PolarHBondContact O-N 3.48Å
378	G	87.6	Confident	92.1	Very high	26 Å²	26	45.3 Å²	45.3	27%	0.268	27%	0.267	S	S	.	.	S	Bend	trans	-78.8	-172.8	-179.6	0	0	0	0	0	113.4	Y376	Y376-G378 VanDerWaalsContact CZ-C 3.5Å; Y376-G378 VanDerWaalsContact CZ-CA 3.41Å; Y376-G378 VanDerWaalsContact OH-C 3.28Å; Y376-G378 WeakPolarHBondContact OH-CA 3.39Å
379	P	89.5	Confident	92	Very high	32 Å²	32	45.4 Å²	45.4	21%	0.208	27%	0.266	C	S	.	.			trans	-61.1	139.3	180	-21.6	33.6	0	0	0	113.1	Y327 Y376 D381 I384	Y327-P379 HydrophobicContact CE1-CG 4.09Å; Y327-P379 HydrophobicContact CE2-CG 4.13Å; Y327-P379 WeakPolarHBondContact OH-CG 3.42Å; Y376-P379 WeakPolarHBondContact CE1-O 3.44Å; Y376-P379 WeakPolarHBondContact OH-CD 3.22Å; Y376-P379 PolarHBondContact OH-O 3.35Å; P379-D381 PolarHBondContact O-N 3.31Å; P379-D381 VanDerWaalsContact O-N 3.1Å; P379-I384 HydrophobicContact CB-CD1 4.06Å; P379-I384 HydrophobicContact CG-CD1 4.17Å
380	V	91.5	Very high	91.9	Very high	49 Å²	49	45.1 Å²	45.1	30%	0.297	27%	0.265	S	S	.	.			trans	-81.1	96.9	173.1	-177.7	0	0	0	0	108.8	L233 Y236 L237 I240 I385	L233-V380 HydrophobicContact CD1-CB 3.5Å; L233-V380 VanDerWaalsContact CD1-CB 3.5Å; L233-V380 HydrophobicContact CD1-CG1 3.67Å; L233-V380 HydrophobicContact CD1-CG2 3.64Å; Y236-V380 WeakPolarHBondContact CB-O 3.38Å; Y236-V380 WeakPolarHBondContact CD2-O 3.37Å; L237-V380 HydrophobicContact CD2-CG1 3.7Å; L237-V380 HydrophobicContact CG-CG1 4.02Å; I240-V380 HydrophobicContact CD1-CG1 3.86Å; V380-I385 HydrophobicContact CG1-CD1 4.24Å
381	D	92.3	Very high	91.7	Very high	27 Å²	27	46.1 Å²	46.1	14%	0.144	26%	0.264	C	S	.	.			trans	-151.4	138.3	-178	179.9	-65.5	0	0	0	108.2	Y236 P379 I383 I384 I385	Y236-D381 HydrophobicContact CD1-CB 4.22Å; Y236-D381 HydrophobicContact CE1-CB 4.03Å; Y236-D381 WeakPolarHBondContact CE1-OD2 3.3Å; P379-D381 PolarHBondContact O-N 3.31Å; P379-D381 VanDerWaalsContact O-N 3.1Å; D381-I383 VanDerWaalsContact OD1-CG1 3.24Å; D381-I383 WeakPolarHBondContact OD1-CG1 3.23Å; D381-I383 PolarHBondContact OD1-N 2.85Å; D381-I384 HydrophobicContact CB-CB 4.24Å; D381-I384 HydrophobicContact CB-CD1 4.02Å; D381-I384 HydrophobicContact CB-CG1 4.1Å; D381-I384 PolarHBondContact O-N 2.91Å; D381-I384 PolarHBondContact OD1-N 3.39Å; D381-I385 WeakPolarHBondContact O-CB 3.08Å; D381-I385 WeakPolarHBondContact O-CG1 3.46Å; D381-I385 PolarHBondContact O-N 3.26Å
382	D	93.2	Very high	91.6	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.053	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-40.9	-173.2	60.7	-44.3	0	0	0	112.9	V239 I240 R243 Y369 F386	V239-D382 HydrophobicContact CG1-CB 4.29Å; I240-D382 HydrophobicContact CG1-CB 3.72Å; R243-D382 WeakPolarHBondContact CD-OD2 3.49Å; R243-D382 IonicContact CZ-OD2 3.3Å; R243-D382 IonicContact NE-OD2 2.73Å; R243-D382 PolarHBondContact NE-OD2 3.27Å; R243-D382 IonicContact NH2-OD2 3.55Å; Y369-D382 HydrophobicContact CD1-CB 4.02Å; Y369-D382 WeakPolarHBondContact CD1-O 3.5Å; Y369-D382 HydrophobicContact CE1-CB 4.29Å; D382-F386 WeakPolarHBondContact O-CB 3.35Å; D382-F386 PolarHBondContact O-N 2.92Å
383	I	93.5	Very high	91.7	Very high	38 Å²	38	46.9 Å²	46.9	20%	0.195	25%	0.245	C	C	.	.	H	α-helix	trans	-73.7	-35.1	-178.4	76.8	-179.5	0	0	0	110.8	W319 M350 H352 D381 S387	W319-I383 HydrophobicContact CZ2-CD1 4.25Å; M350-I383 HydrophobicContact CE-CB 4.36Å; M350-I383 HydrophobicContact CE-CD1 3.97Å; M350-I383 HydrophobicContact CE-CG1 3.69Å; M350-I383 HydrophobicContact SD-CB 4.05Å; M350-I383 HydrophobicContact SD-CD1 3.59Å; M350-I383 VanDerWaalsContact SD-CD1 3.59Å; M350-I383 HydrophobicContact SD-CG1 3.72Å; H352-I383 HydrophobicContact CB-CB 4.3Å; H352-I383 HydrophobicContact CB-CD1 4.36Å; H352-I383 HydrophobicContact CB-CG2 3.86Å; D381-I383 VanDerWaalsContact OD1-CG1 3.24Å; D381-I383 WeakPolarHBondContact OD1-CG1 3.23Å; D381-I383 PolarHBondContact OD1-N 2.85Å; I383-S387 VanDerWaalsContact O-CB 3.29Å; I383-S387 WeakPolarHBondContact O-CB 3.49Å; I383-S387 PolarHBondContact O-N 3.16Å
384	I	93.3	Very high	91.8	Very high	9 Å²	9	54.8 Å²	54.8	5%	0.046	28%	0.28	C	S	.	.	H	α-helix	trans	-72.3	-47.7	178.2	-57.5	179.2	0	0	0	110.2	M322 M350 Y376 P379 D381 F386 S387 R388	M322-I384 HydrophobicContact CE-CG2 4.49Å; M350-I384 HydrophobicContact CE-CG1 4.15Å; Y376-I384 WeakPolarHBondContact OH-CG2 3.37Å; P379-I384 HydrophobicContact CB-CD1 4.06Å; P379-I384 HydrophobicContact CG-CD1 4.17Å; D381-I384 HydrophobicContact CB-CB 4.24Å; D381-I384 HydrophobicContact CB-CD1 4.02Å; D381-I384 HydrophobicContact CB-CG1 4.1Å; D381-I384 PolarHBondContact O-N 2.91Å; D381-I384 PolarHBondContact OD1-N 3.39Å; I384-F386 VanDerWaalsContact C-N 3.35Å; I384-F386 PolarHBondContact O-N 3.05Å; I384-S387 PolarHBondContact O-N 3.36Å; I384-R388 WeakPolarHBondContact O-CG 3.36Å; I384-R388 PolarHBondContact O-N 3.46Å
385	I	94.3	Very high	92.1	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-43.8	179.9	-73.3	166.8	0	0	0	110.7	I240 Y369 A372 Y376 V380 D381 S387 R388 S389	I240-I385 HydrophobicContact CD1-CD1 3.53Å; Y369-I385 WeakPolarHBondContact O-CG2 3.12Å; A372-I385 HydrophobicContact CB-CD1 4.38Å; A372-I385 HydrophobicContact CB-CG1 4.45Å; A372-I385 HydrophobicContact CB-CG2 4.02Å; Y376-I385 HydrophobicContact CD1-CG1 4.2Å; Y376-I385 HydrophobicContact CE1-CD1 4.15Å; Y376-I385 HydrophobicContact CE1-CG1 3.57Å; V380-I385 HydrophobicContact CG1-CD1 4.24Å; D381-I385 WeakPolarHBondContact O-CB 3.08Å; D381-I385 WeakPolarHBondContact O-CG1 3.46Å; D381-I385 PolarHBondContact O-N 3.26Å; I385-S387 PolarHBondContact O-N 2.93Å; I385-R388 PolarHBondContact O-N 3.26Å; I385-S389 PolarHBondContact O-N 3.26Å
386	F	95.9	Very high	92.4	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.018	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-48	175	-174.9	-111.6	0	0	0	111.5	I302 F355 I367 Y369 D382 I384 R388 S389 V390 F397	I302-F386 HydrophobicContact CD1-CE1 4.23Å; I302-F386 HydrophobicContact CD1-CZ 4.15Å; F355-F386 HydrophobicContact CD2-CE1 4.43Å; F355-F386 HydrophobicContact CE1-CE1 4.37Å; F355-F386 AromaticContact CE2-CE1 3.53Å; F355-F386 HydrophobicContact CE2-CE1 3.53Å; F355-F386 AromaticContact CE2-CZ 3.71Å; F355-F386 HydrophobicContact CE2-CZ 3.71Å; F355-F386 HydrophobicContact CZ-CD1 4.06Å; F355-F386 AromaticContact CZ-CE1 3.48Å; F355-F386 HydrophobicContact CZ-CE1 3.48Å; F355-F386 VanDerWaalsContact CZ-CE1 3.48Å; F355-F386 AromaticContact CZ-CZ 3.91Å; F355-F386 HydrophobicContact CZ-CZ 3.91Å; I367-F386 HydrophobicContact CB-CE2 4.39Å; I367-F386 HydrophobicContact CD1-CE2 4.26Å; I367-F386 HydrophobicContact CD1-CZ 4.07Å; I367-F386 HydrophobicContact CG1-CE2 4.45Å; Y369-F386 HydrophobicContact CD1-CB 3.7Å; Y369-F386 HydrophobicContact CD1-CD2 4.23Å; Y369-F386 HydrophobicContact CD1-CG 4.21Å; Y369-F386 HydrophobicContact CD2-CD2 4Å; Y369-F386 HydrophobicContact CD2-CE2 4.5Å; Y369-F386 HydrophobicContact CE1-CB 3.6Å; Y369-F386 HydrophobicContact CE1-CD2 4.08Å; Y369-F386 AromaticContact CE1-CG 3.83Å; Y369-F386 HydrophobicContact CE1-CG 3.83Å; Y369-F386 AromaticContact CE2-CD2 3.85Å; Y369-F386 HydrophobicContact CE2-CD2 3.85Å; Y369-F386 HydrophobicContact CE2-CE2 4.12Å; Y369-F386 HydrophobicContact CE2-CG 4.36Å; Y369-F386 HydrophobicContact CG-CB 4.39Å; Y369-F386 HydrophobicContact CG-CD2 4.2Å; Y369-F386 AromaticContact CZ-CD2 3.91Å; Y369-F386 AromaticContact CZ-CG 3.94Å; D382-F386 WeakPolarHBondContact O-CB 3.35Å; D382-F386 PolarHBondContact O-N 2.92Å; I384-F386 VanDerWaalsContact C-N 3.35Å; I384-F386 PolarHBondContact O-N 3.05Å; F386-R388 VanDerWaalsContact C-N 3.27Å; F386-R388 PolarHBondContact O-N 3.35Å; F386-S389 WeakPolarHBondContact O-CB 3.39Å; F386-S389 PolarHBondContact O-N 2.97Å; F386-S389 PolarHBondContact O-OG 2.81Å; F386-V390 HydrophobicContact CD1-CG2 4.32Å; F386-V390 HydrophobicContact CE1-CG2 4.03Å; F386-V390 HydrophobicContact CE2-CG2 4.4Å; F386-V390 HydrophobicContact CZ-CG2 4.05Å; F386-V390 WeakPolarHBondContact O-CG2 3.39Å; F386-V390 PolarHBondContact O-N 3.25Å; F386-F397 HydrophobicContact CD1-CE1 4.22Å; F386-F397 HydrophobicContact CD1-CZ 4.1Å; F386-F397 AromaticContact CE1-CE1 3.86Å; F386-F397 HydrophobicContact CE1-CE1 3.86Å; F386-F397 HydrophobicContact CE1-CZ 4.13Å
387	S	94.2	Very high	92.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56	-40.2	175.8	173.4	0	0	0	0	112.6	A349 I383 I384 I385 V390 Q391	A349-S387 PolarHBondContact O-OG 2.88Å; I383-S387 VanDerWaalsContact O-CB 3.29Å; I383-S387 WeakPolarHBondContact O-CB 3.49Å; I383-S387 PolarHBondContact O-N 3.16Å; I384-S387 PolarHBondContact O-N 3.36Å; I385-S387 PolarHBondContact O-N 2.93Å; S387-V390 PolarHBondContact O-N 3.5Å; S387-Q391 WeakPolarHBondContact O-CG 3.33Å; S387-Q391 PolarHBondContact O-N 3.42Å
388	R	92.7	Very high	93.1	Very high	48 Å²	48	37.8 Å²	37.8	18%	0.181	19%	0.188	C	C	.	.	H	α-helix	trans	-69.8	-32.9	175.9	-65.1	-53.8	-170.9	163.5	8.2	113.9	S323 E324 E325 P373 Y376 I384 I385 F386 V390 Q391 R392	S323-R388 PolarHBondContact O-NH2 2.77Å; E324-R388 PolarHBondContact O-NH2 3.35Å; E325-R388 VanDerWaalsContact C-NH2 3.29Å; P373-R388 HydrophobicContact CG-CB 3.92Å; Y376-R388 HydrophobicContact CD2-CB 4.38Å; Y376-R388 HydrophobicContact CD2-CG 4.07Å; Y376-R388 HydrophobicContact CE2-CB 4.34Å; Y376-R388 HydrophobicContact CE2-CG 3.64Å; I384-R388 WeakPolarHBondContact O-CG 3.36Å; I384-R388 PolarHBondContact O-N 3.46Å; I385-R388 PolarHBondContact O-N 3.26Å; F386-R388 VanDerWaalsContact C-N 3.27Å; F386-R388 PolarHBondContact O-N 3.35Å; R388-V390 VanDerWaalsContact C-N 3.32Å; R388-Q391 VanDerWaalsContact CD-OE1 3.24Å; R388-R392 WeakPolarHBondContact O-CB 3.46Å; R388-R392 PolarHBondContact O-N 3.3Å
389	S	94.8	Very high	93.5	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-41.9	172.3	84.1	0	0	0	0	111.1	G368 I385 F386 R392 A393	G368-S389 PolarHBondContact N-OG 2.88Å; G368-S389 VanDerWaalsContact O-CB 3.3Å; G368-S389 WeakPolarHBondContact O-CB 3.39Å; G368-S389 PolarHBondContact O-OG 3.42Å; I385-S389 PolarHBondContact O-N 3.26Å; F386-S389 WeakPolarHBondContact O-CB 3.39Å; F386-S389 PolarHBondContact O-N 2.97Å; F386-S389 PolarHBondContact O-OG 2.81Å; S389-R392 PolarHBondContact O-N 2.97Å; S389-A393 PolarHBondContact O-N 3.34Å
390	V	95.2	Very high	93.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.5	-47.8	179.4	172.1	0	0	0	0	111	I302 I367 F386 S387 R388 R392 A393 E394 I395 F397	I302-V390 HydrophobicContact CD1-CB 4.33Å; I302-V390 HydrophobicContact CD1-CG1 3.84Å; I302-V390 HydrophobicContact CD1-CG2 3.44Å; I302-V390 VanDerWaalsContact CD1-CG2 3.44Å; I367-V390 HydrophobicContact CB-CG2 4.06Å; I367-V390 HydrophobicContact CD1-CG2 4.48Å; I367-V390 HydrophobicContact CG2-CB 4.36Å; I367-V390 HydrophobicContact CG2-CG2 3.79Å; F386-V390 HydrophobicContact CD1-CG2 4.32Å; F386-V390 HydrophobicContact CE1-CG2 4.03Å; F386-V390 HydrophobicContact CE2-CG2 4.4Å; F386-V390 HydrophobicContact CZ-CG2 4.05Å; F386-V390 WeakPolarHBondContact O-CG2 3.39Å; F386-V390 PolarHBondContact O-N 3.25Å; S387-V390 PolarHBondContact O-N 3.5Å; R388-V390 VanDerWaalsContact C-N 3.32Å; V390-R392 VanDerWaalsContact C-N 3.3Å; V390-R392 PolarHBondContact O-N 3.31Å; V390-A393 PolarHBondContact O-N 3.13Å; V390-A393 VanDerWaalsContact O-N 3.12Å; V390-E394 PolarHBondContact O-N 2.91Å; V390-I395 HydrophobicContact CG1-CB 3.91Å; V390-I395 HydrophobicContact CG1-CG2 4.01Å; V390-I395 VanDerWaalsContact CG1-O 3.26Å; V390-I395 WeakPolarHBondContact CG1-O 3.49Å; V390-I395 PolarHBondContact O-N 2.88Å; V390-F397 HydrophobicContact CB-CE1 4.33Å; V390-F397 HydrophobicContact CB-CE2 3.74Å; V390-F397 HydrophobicContact CB-CZ 3.58Å; V390-F397 HydrophobicContact CG1-CD1 4.4Å; V390-F397 HydrophobicContact CG1-CD2 3.95Å; V390-F397 HydrophobicContact CG1-CE1 4.04Å; V390-F397 HydrophobicContact CG1-CE2 3.52Å; V390-F397 HydrophobicContact CG1-CG 4.38Å; V390-F397 HydrophobicContact CG1-CZ 3.6Å; V390-F397 HydrophobicContact CG2-CE1 3.96Å; V390-F397 HydrophobicContact CG2-CE2 4.2Å; V390-F397 HydrophobicContact CG2-CZ 3.5Å
391	Q	91.3	Very high	94	Very high	77 Å²	77	32.7 Å²	32.7	36%	0.36	15%	0.151	S	C	.	.	H	α-helix	trans	-59	-40.3	174.4	-73.3	174.8	-1.5	0	0	112.3	S387 R388 A393 E394	S387-Q391 WeakPolarHBondContact O-CG 3.33Å; S387-Q391 PolarHBondContact O-N 3.42Å; R388-Q391 VanDerWaalsContact CD-OE1 3.24Å; Q391-A393 VanDerWaalsContact C-N 3.3Å; Q391-A393 PolarHBondContact O-N 3.34Å; Q391-E394 PolarHBondContact O-N 2.9Å; Q391-E394 VanDerWaalsContact O-N 3.13Å
392	R	92	Very high	94.1	Very high	161 Å²	161	32.6 Å²	32.6	61%	0.608	15%	0.152	S	C	*	.	H	α-helix	trans	-68.7	-29.9	178.2	-178.9	172.3	178.2	84.9	4.1	112.6	R388 S389 V390 E394	R388-R392 WeakPolarHBondContact O-CB 3.46Å; R388-R392 PolarHBondContact O-N 3.3Å; S389-R392 PolarHBondContact O-N 2.97Å; V390-R392 VanDerWaalsContact C-N 3.3Å; V390-R392 PolarHBondContact O-N 3.31Å; R392-E394 PolarHBondContact O-N 2.87Å
393	A	93.6	Very high	94	Very high	9 Å²	9	33.4 Å²	33.4	7%	0.074	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	2.2	173.9	0	0	0	0	0	112.9	Q366 I367 S389 V390 Q391 I395	Q366-A393 HydrophobicContact CB-CB 3.87Å; I367-A393 HydrophobicContact CG2-CB 3.79Å; S389-A393 PolarHBondContact O-N 3.34Å; V390-A393 PolarHBondContact O-N 3.13Å; V390-A393 VanDerWaalsContact O-N 3.12Å; Q391-A393 VanDerWaalsContact C-N 3.3Å; Q391-A393 PolarHBondContact O-N 3.34Å; A393-I395 HydrophobicContact CB-CD1 3.76Å; A393-I395 HydrophobicContact CB-CG1 4.01Å; A393-I395 PolarHBondContact O-N 3.17Å
394	E	93.2	Very high	94.1	Very high	189 Å²	189	34 Å²	34	88%	0.883	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	39.6	-177.1	-56.9	-178.9	161.1	0	0	112.1	V390 Q391 R392	V390-E394 PolarHBondContact O-N 2.91Å; Q391-E394 PolarHBondContact O-N 2.9Å; Q391-E394 VanDerWaalsContact O-N 3.13Å; R392-E394 PolarHBondContact O-N 2.87Å
395	I	93.7	Very high	94.3	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.062	15%	0.154	C	C	.	.			trans	-108.6	136.7	177.4	-61.7	169.3	0	0	0	109	I301 I302 Q363 I367 V390 A393	I301-I395 HydrophobicContact CB-CG2 3.95Å; I301-I395 HydrophobicContact CD1-CD1 3.84Å; I301-I395 HydrophobicContact CD1-CG1 3.86Å; I301-I395 HydrophobicContact CD1-CG2 4.31Å; I301-I395 HydrophobicContact CG2-CD1 4.22Å; I301-I395 HydrophobicContact CG2-CG2 4.41Å; I302-I395 HydrophobicContact CD1-CG2 4.41Å; I302-I395 HydrophobicContact CG1-CG2 4.46Å; Q363-I395 HydrophobicContact CB-CD1 3.85Å; Q363-I395 HydrophobicContact CB-CG1 4.21Å; I367-I395 HydrophobicContact CG2-CD1 3.67Å; V390-I395 HydrophobicContact CG1-CB 3.91Å; V390-I395 HydrophobicContact CG1-CG2 4.01Å; V390-I395 VanDerWaalsContact CG1-O 3.26Å; V390-I395 WeakPolarHBondContact CG1-O 3.49Å; V390-I395 PolarHBondContact O-N 2.88Å; A393-I395 HydrophobicContact CB-CD1 3.76Å; A393-I395 HydrophobicContact CB-CG1 4.01Å; A393-I395 PolarHBondContact O-N 3.17Å
396	D	92.8	Very high	94.4	Very high	80 Å²	80	33.3 Å²	33.3	43%	0.428	15%	0.153	S	C	.	.			trans	-88.6	143.9	171.1	-75.6	-34.2	0	0	0	111.9	Y398	D396-Y398 HydrophobicContact CB-CD2 4.33Å; D396-Y398 HydrophobicContact CB-CE2 3.68Å
397	F	95.9	Very high	94.5	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.8	164.9	-69.5	-76.3	0	0	0	109.7	I302 P347 V348 A349 V351 F386 V390	I302-F397 HydrophobicContact CB-CD1 3.98Å; I302-F397 HydrophobicContact CB-CE1 4.41Å; I302-F397 HydrophobicContact CD1-CD1 3.97Å; I302-F397 HydrophobicContact CD1-CE1 3.63Å; I302-F397 HydrophobicContact CD1-CZ 4.39Å; I302-F397 HydrophobicContact CG2-CD1 3.55Å; I302-F397 HydrophobicContact CG2-CE1 3.88Å; P347-F397 CarbonylContact C-O 3.52Å; P347-F397 VanDerWaalsContact CA-O 3.27Å; P347-F397 WeakPolarHBondContact CA-O 3.45Å; V348-F397 HydrophobicContact CG2-CB 3.89Å; V348-F397 PolarHBondContact N-O 2.89Å; V348-F397 WeakPolarHBondContact O-CB 3.44Å; A349-F397 WeakPolarHBondContact O-CD2 3.45Å; V351-F397 HydrophobicContact CG1-CB 4.26Å; V351-F397 HydrophobicContact CG2-CD1 3.56Å; V351-F397 HydrophobicContact CG2-CE1 3.91Å; V351-F397 HydrophobicContact CG2-CG 4.39Å; F386-F397 HydrophobicContact CD1-CE1 4.22Å; F386-F397 HydrophobicContact CD1-CZ 4.1Å; F386-F397 AromaticContact CE1-CE1 3.86Å; F386-F397 HydrophobicContact CE1-CE1 3.86Å; F386-F397 HydrophobicContact CE1-CZ 4.13Å; V390-F397 HydrophobicContact CB-CE1 4.33Å; V390-F397 HydrophobicContact CB-CE2 3.74Å; V390-F397 HydrophobicContact CB-CZ 3.58Å; V390-F397 HydrophobicContact CG1-CD1 4.4Å; V390-F397 HydrophobicContact CG1-CD2 3.95Å; V390-F397 HydrophobicContact CG1-CE1 4.04Å; V390-F397 HydrophobicContact CG1-CE2 3.52Å; V390-F397 HydrophobicContact CG1-CG 4.38Å; V390-F397 HydrophobicContact CG1-CZ 3.6Å; V390-F397 HydrophobicContact CG2-CE1 3.96Å; V390-F397 HydrophobicContact CG2-CE2 4.2Å; V390-F397 HydrophobicContact CG2-CZ 3.5Å
398	Y	95.7	Very high	94.6	Very high	3 Å²	3	33.2 Å²	33.2	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	145.3	171.7	-70.8	-91.8	0	0	0	111.8	I296 D297 I300 I302 L303 A304 V345 Y346 P347 D396	I296-Y398 HydrophobicContact CB-CE1 4.38Å; I296-Y398 HydrophobicContact CG1-CE1 4.42Å; I296-Y398 HydrophobicContact CG2-CD1 4.42Å; I296-Y398 HydrophobicContact CG2-CE1 3.87Å; D297-Y398 HydrophobicContact CB-CE2 4.37Å; D297-Y398 WeakPolarHBondContact CB-OH 3.32Å; D297-Y398 PolarHBondContact N-OH 3.44Å; D297-Y398 PolarHBondContact OD2-OH 2.8Å; I300-Y398 HydrophobicContact CG1-CD2 4.33Å; I300-Y398 HydrophobicContact CG1-CE2 4.46Å; I300-Y398 HydrophobicContact CG2-CD2 3.83Å; I300-Y398 HydrophobicContact CG2-CG 4.16Å; I302-Y398 PolarHBondContact O-N 3.23Å; L303-Y398 CarbonylContact C-O 3.59Å; L303-Y398 WeakPolarHBondContact CA-O 3.46Å; A304-Y398 PolarHBondContact N-O 3.01Å; V345-Y398 HydrophobicContact CG1-CD1 3.94Å; V345-Y398 HydrophobicContact CG1-CG 4.31Å; Y346-Y398 CarbonylContact O-C 3.52Å; Y346-Y398 WeakPolarHBondContact O-CA 3.28Å; P347-Y398 HydrophobicContact CB-CE1 4.22Å; D396-Y398 HydrophobicContact CB-CD2 4.33Å; D396-Y398 HydrophobicContact CB-CE2 3.68Å
399	L	96.3	Very high	94.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.5	173.9	-175.7	80.4	0	0	0	109.9	A304 L306 F318 I337 V345 Y346 V348	A304-L399 HydrophobicContact CB-CD1 3.98Å; A304-L399 CarbonylContact O-C 3.51Å; A304-L399 WeakPolarHBondContact O-CA 3.14Å; L306-L399 HydrophobicContact CB-CD1 4.3Å; L306-L399 HydrophobicContact CB-CD2 4.36Å; L306-L399 HydrophobicContact CB-CG 4.34Å; L306-L399 HydrophobicContact CD1-CD2 4.25Å; F318-L399 HydrophobicContact CB-CD1 4Å; F318-L399 HydrophobicContact CB-CD2 4.13Å; F318-L399 HydrophobicContact CD1-CD1 4.32Å; F318-L399 HydrophobicContact CD1-CD2 3.43Å; F318-L399 VanDerWaalsContact CD1-CD2 3.43Å; F318-L399 HydrophobicContact CD2-CD2 3.9Å; F318-L399 HydrophobicContact CE1-CD2 3.71Å; F318-L399 HydrophobicContact CE2-CD2 4.14Å; F318-L399 HydrophobicContact CG-CD1 4.29Å; F318-L399 HydrophobicContact CG-CD2 3.54Å; F318-L399 HydrophobicContact CG-CG 4.48Å; F318-L399 HydrophobicContact CZ-CD2 4.06Å; I337-L399 HydrophobicContact CG2-CD2 3.7Å; V345-L399 CarbonylContact C-O 3.57Å; V345-L399 WeakPolarHBondContact CA-O 3.42Å; Y346-L399 PolarHBondContact N-O 2.86Å; Y346-L399 PolarHBondContact O-N 3.11Å; V348-L399 HydrophobicContact CG1-CB 3.87Å; V348-L399 HydrophobicContact CG1-CD2 4.4Å; V348-L399 HydrophobicContact CG2-CB 4.1Å
400	D	95.5	Very high	94.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.8	172.6	-174	-39.1	0	0	0	110.2	H275 L276 L303 A304 P305 L306 V345 T402 Y405	H275-D400 IonicContact CD2-OD2 2.8Å; H275-D400 IonicContact CE1-OD2 3Å; H275-D400 IonicContact NE2-OD1 3.72Å; H275-D400 IonicContact NE2-OD2 3.74Å; H275-D400 PolarHBondContact NE2-OD2 3.06Å; L276-D400 HydrophobicContact CD2-CB 4.31Å; L303-D400 HydrophobicContact CD1-CB 4.15Å; A304-D400 PolarHBondContact O-N 3.17Å; P305-D400 CarbonylContact C-O 3.57Å; L306-D400 PolarHBondContact N-O 3.27Å; V345-D400 HydrophobicContact CG2-CB 4.16Å; D400-T402 WeakPolarHBondContact OD1-CB 3.28Å; D400-T402 WeakPolarHBondContact OD1-CG2 3.44Å; D400-T402 PolarHBondContact OD1-N 2.87Å; D400-T402 PolarHBondContact OD1-OG1 2.9Å; D400-T402 PolarHBondContact OD2-OG1 3.31Å; D400-Y405 HydrophobicContact CB-CE2 4.48Å; D400-Y405 WeakPolarHBondContact O-CE2 3.35Å; D400-Y405 PolarHBondContact OD1-OH 3.19Å; D400-Y405 PolarHBondContact OD2-OH 3.42Å; D400-Y405 VanDerWaalsContact OD2-OH 3.13Å
401	N	95.6	Very high	94.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.			trans	-119.1	18.4	171.1	76.9	-15.6	0	0	0	113.5	L306 I337 R340 I342 Q343 G344 Q403	L306-N401 HydrophobicContact CB-CB 3.77Å; L306-N401 HydrophobicContact CD2-CB 3.54Å; L306-N401 HydrophobicContact CG-CB 4.3Å; I337-N401 PolarHBondContact O-ND2 3.16Å; R340-N401 WeakPolarHBondContact CD-O 2.98Å; R340-N401 HydrophobicContact CG-CB 4.25Å; R340-N401 PolarHBondContact NE-O 2.9Å; I342-N401 PolarHBondContact O-ND2 3.37Å; Q343-N401 VanDerWaalsContact CA-OD1 3.25Å; Q343-N401 WeakPolarHBondContact CA-OD1 3.46Å; G344-N401 PolarHBondContact N-OD1 3.32Å; G344-N401 PolarHBondContact O-N 2.9Å; G344-N401 PolarHBondContact O-OD1 2.97Å; N401-Q403 PolarHBondContact O-N 2.96Å
402	T	92.7	Very high	94.1	Very high	25 Å²	25	32.9 Å²	32.9	15%	0.153	16%	0.163	C	C	.	.	S	Bend	trans	-69.2	-22.6	-178.2	66.6	0	0	0	0	113.1	D400	D400-T402 WeakPolarHBondContact OD1-CB 3.28Å; D400-T402 WeakPolarHBondContact OD1-CG2 3.44Å; D400-T402 PolarHBondContact OD1-N 2.87Å; D400-T402 PolarHBondContact OD1-OG1 2.9Å; D400-T402 PolarHBondContact OD2-OG1 3.31Å
403	Q	92.8	Very high	93.7	Very high	27 Å²	27	30.4 Å²	30.4	13%	0.126	16%	0.159	C	C	.	.	S	Bend	trans	-127.9	165.1	177	-53.5	-175.4	10	0	0	111.6	Y133 N269 H275 R340 N401 Y405	Y133-Q403 VanDerWaalsContact CE1-NE2 3.26Å; Y133-Q403 PolarHBondContact OH-NE2 3.44Å; N269-Q403 PolarHBondContact ND2-OE1 2.98Å; H275-Q403 PolarHBondContact CE1-NE2 2.9Å; H275-Q403 PolarHBondContact ND1-NE2 2.86Å; R340-Q403 PolarHBondContact NE-O 3.37Å; R340-Q403 VanDerWaalsContact NE-O 3.15Å; R340-Q403 PolarHBondContact NH2-O 2.95Å; N401-Q403 PolarHBondContact O-N 2.96Å; Q403-Y405 HydrophobicContact CB-CE1 3.96Å; Q403-Y405 HydrophobicContact CB-CE2 4.11Å; Q403-Y405 WeakPolarHBondContact O-CD2 3.45Å; Q403-Y405 WeakPolarHBondContact O-CE2 3.44Å
404	F	94.6	Very high	93.2	Very high	50 Å²	50	34.1 Å²	34.1	22%	0.219	17%	0.174	C	C	.	.			trans	-80.2	129.7	159.8	172.6	-106.9	0	0	0	108.2	M268 N269 N308 Y407 Q447	M268-F404 HydrophobicContact CB-CE1 3.69Å; M268-F404 HydrophobicContact CB-CZ 4.17Å; M268-F404 HydrophobicContact CG-CE1 4.47Å; M268-F404 HydrophobicContact SD-CE1 4.25Å; M268-F404 HydrophobicContact SD-CZ 4.04Å; N269-F404 WeakPolarHBondContact CB-O 3.28Å; N269-F404 PolarHBondContact ND2-O 2.91Å; N308-F404 HydrophobicContact CB-CE2 4.45Å; F404-Y407 HydrophobicContact CE2-CE1 4.28Å; F404-Y407 HydrophobicContact CE2-CE2 4.04Å; F404-Y407 AromaticContact CE2-CZ 3.83Å; F404-Y407 HydrophobicContact CZ-CD2 4.09Å; F404-Y407 AromaticContact CZ-CE2 3.49Å; F404-Y407 HydrophobicContact CZ-CE2 3.49Å; F404-Y407 VanDerWaalsContact CZ-CE2 3.49Å; F404-Y407 AromaticContact CZ-CZ 3.72Å; F404-Q447 VanDerWaalsContact CE1-NE2 3.28Å
405	Y	97	Very high	92.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.			trans	-112.7	-34.7	-177.7	-64.2	-73.4	0	0	0	113	M268 N269 T272 H275 P305 D400 Q403	M268-Y405 PolarHBondContact N-O 2.98Å; N269-Y405 PolarHBondContact N-O 3.26Å; N269-Y405 VanDerWaalsContact N-O 3.11Å; T272-Y405 HydrophobicContact CG2-CD1 3.67Å; T272-Y405 HydrophobicContact CG2-CE1 4.36Å; T272-Y405 HydrophobicContact CG2-CG 4.43Å; H275-Y405 AromaticContact CD2-CE1 3.75Å; H275-Y405 AromaticContact CD2-CZ 3.78Å; H275-Y405 PolarHBondContact CD2-OH 3.25Å; H275-Y405 PolarHBondContact NE2-OH 3.22Å; P305-Y405 HydrophobicContact CB-CD1 3.84Å; P305-Y405 HydrophobicContact CB-CD2 3.36Å; P305-Y405 HydrophobicContact CB-CE1 4.23Å; P305-Y405 HydrophobicContact CB-CE2 3.8Å; P305-Y405 HydrophobicContact CB-CG 3.39Å; D400-Y405 HydrophobicContact CB-CE2 4.48Å; D400-Y405 WeakPolarHBondContact O-CE2 3.35Å; D400-Y405 PolarHBondContact OD1-OH 3.19Å; D400-Y405 PolarHBondContact OD2-OH 3.42Å; D400-Y405 VanDerWaalsContact OD2-OH 3.13Å; Q403-Y405 HydrophobicContact CB-CE1 3.96Å; Q403-Y405 HydrophobicContact CB-CE2 4.11Å; Q403-Y405 WeakPolarHBondContact O-CD2 3.45Å; Q403-Y405 WeakPolarHBondContact O-CE2 3.44Å
406	G	97.3	Very high	91.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.4	-153.3	179.5	0	0	0	0	0	112.8	I266 N308	I266-G406 CarbonylContact O-C 3.49Å; I266-G406 VanDerWaalsContact O-CA 3.23Å; I266-G406 WeakPolarHBondContact O-CA 3.43Å; N308-G406 PolarHBondContact N-O 3.08Å
407	Y	97.6	Very high	91.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	157.5	-172.2	-64.3	-78.2	0	0	0	114.7	I266 M268 N308 T310 F404 A443 D446 Q447	I266-Y407 PolarHBondContact N-O 3.11Å; I266-Y407 PolarHBondContact O-N 3.37Å; M268-Y407 HydrophobicContact CE-CE2 4.39Å; M268-Y407 HydrophobicContact CG-CD2 4.36Å; M268-Y407 HydrophobicContact SD-CD2 3.3Å; M268-Y407 WeakPolarHBondContact SD-CD2 3.48Å; M268-Y407 HydrophobicContact SD-CE2 3.23Å; M268-Y407 WeakPolarHBondContact SD-CE2 3.48Å; N308-Y407 HydrophobicContact CB-CD1 3.51Å; N308-Y407 HydrophobicContact CB-CE1 3.61Å; N308-Y407 CarbonylContact O-C 3.59Å; N308-Y407 VanDerWaalsContact O-CA 3.22Å; N308-Y407 WeakPolarHBondContact O-CA 3.5Å; N308-Y407 WeakPolarHBondContact O-CD1 3.33Å; T310-Y407 HydrophobicContact CG2-CD1 3.29Å; T310-Y407 HydrophobicContact CG2-CE1 3.79Å; T310-Y407 HydrophobicContact CG2-CG 3.92Å; F404-Y407 HydrophobicContact CE2-CE1 4.28Å; F404-Y407 HydrophobicContact CE2-CE2 4.04Å; F404-Y407 AromaticContact CE2-CZ 3.83Å; F404-Y407 HydrophobicContact CZ-CD2 4.09Å; F404-Y407 AromaticContact CZ-CE2 3.49Å; F404-Y407 HydrophobicContact CZ-CE2 3.49Å; F404-Y407 VanDerWaalsContact CZ-CE2 3.49Å; F404-Y407 AromaticContact CZ-CZ 3.72Å; Y407-A443 HydrophobicContact CD2-CB 3.83Å; Y407-A443 HydrophobicContact CE2-CB 3.46Å; Y407-A443 VanDerWaalsContact CE2-CB 3.46Å; Y407-D446 HydrophobicContact CE1-CB 4.47Å; Y407-D446 WeakPolarHBondContact CE1-OD2 3.23Å; Y407-D446 WeakPolarHBondContact OH-CB 3.47Å; Y407-D446 PolarHBondContact OH-OD2 2.81Å; Y407-Q447 PolarHBondContact OH-NE2 3.24Å
408	I	96.8	Very high	90.6	Very high	2 Å²	2	33 Å²	33	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.6	165	57.5	175	0	0	0	110.3	V265 M307 N308 C309 T310 Y315 N317	V265-I408 HydrophobicContact CB-CG2 4.31Å; V265-I408 HydrophobicContact CG1-CG2 4.24Å; V265-I408 HydrophobicContact CG2-CG2 3.88Å; M307-I408 HydrophobicContact CB-CB 4.5Å; M307-I408 HydrophobicContact CB-CD1 4.17Å; M307-I408 HydrophobicContact CB-CG1 4.06Å; M307-I408 HydrophobicContact CB-CG2 3.82Å; M307-I408 HydrophobicContact CG-CG2 4.08Å; N308-I408 PolarHBondContact O-N 3.24Å; C309-I408 WeakPolarHBondContact CA-O 3.38Å; C309-I408 HydrophobicContact CB-CG1 4.33Å; T310-I408 PolarHBondContact N-O 3.23Å; Y315-I408 HydrophobicContact CD1-CD1 4.29Å; Y315-I408 HydrophobicContact CE1-CD1 3.86Å; N317-I408 HydrophobicContact CB-CD1 3.95Å
409	P	94	Very high	89.6	Confident	17 Å²	17	38.2 Å²	38.2	11%	0.11	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-77.1	157.7	164.9	32.6	-32.8	0	0	0	110.3	D264 L435 L439	D264-P409 HydrophobicContact CB-CG 4.03Å; D264-P409 VanDerWaalsContact O-CD 3.31Å; D264-P409 WeakPolarHBondContact O-CD 3.4Å; P409-L435 HydrophobicContact CB-CB 4.32Å; P409-L439 HydrophobicContact CB-CD1 4.35Å
410	S	90.5	Very high	88.8	Confident	23 Å²	23	39.6 Å²	39.6	16%	0.161	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-69.1	151.8	165.3	63.3	0	0	0	0	110.4	S311 L435	S311-S410 WeakPolarHBondContact OG-CB 3.48Å; S311-S410 PolarHBondContact OG-N 3.38Å; S311-S410 PolarHBondContact OG-OG 3.18Å; S410-L435 WeakPolarHBondContact O-CD1 3.43Å
411	P	89	Confident	88	Confident	72 Å²	72	41.6 Å²	41.6	47%	0.468	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-61.5	153.6	172.1	25.8	-34.8	0	0	0	111	Y315 E413	Y315-P411 HydrophobicContact CD2-CG 4.38Å; Y315-P411 VanDerWaalsContact CE1-CD 3.47Å; Y315-P411 HydrophobicContact CE2-CG 3.82Å; P411-E413 PolarHBondContact O-N 3.47Å
412	V	89.9	Confident	87.3	Confident	15 Å²	15	51.9 Å²	51.9	9%	0.091	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-71.5	127	174.2	173.4	0	0	0	0	109.8	L417 W428 R431 E432 L435	V412-L417 HydrophobicContact CG1-CD2 3.63Å; V412-L417 HydrophobicContact CG1-CG 4.36Å; V412-W428 HydrophobicContact CB-CD2 4.28Å; V412-W428 HydrophobicContact CB-CH2 4.29Å; V412-W428 HydrophobicContact CB-CZ2 3.76Å; V412-W428 HydrophobicContact CG1-CD2 4.12Å; V412-W428 HydrophobicContact CG1-CE3 4.36Å; V412-W428 HydrophobicContact CG1-CH2 4.48Å; V412-W428 HydrophobicContact CG1-CZ2 4.3Å; V412-W428 HydrophobicContact CG2-CZ2 4.46Å; V412-R431 HydrophobicContact CB-CG 4.31Å; V412-R431 HydrophobicContact CG1-CB 4.18Å; V412-R431 HydrophobicContact CG1-CG 3.77Å; V412-R431 HydrophobicContact CG2-CB 4.16Å; V412-R431 HydrophobicContact CG2-CG 3.79Å; V412-E432 HydrophobicContact CG2-CG 3.54Å; V412-L435 HydrophobicContact CG2-CD1 4.03Å
413	E	83.7	Confident	86.9	Confident	109 Å²	109	53.9 Å²	53.9	51%	0.509	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-81.7	120.6	171	-59.7	-167.9	173.2	0	0	110.4	P411 Q415 D416	P411-E413 PolarHBondContact O-N 3.47Å; E413-Q415 HydrophobicContact CB-CG 4.08Å; E413-Q415 PolarHBondContact O-N 2.97Å; E413-Q415 PolarHBondContact OE2-NE2 3.15Å; E413-D416 WeakPolarHBondContact O-CB 3.21Å; E413-D416 PolarHBondContact O-N 3.14Å
414	E	81.8	Confident	86.3	Confident	87 Å²	87	55.9 Å²	55.9	41%	0.407	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-58.6	-28.4	-175.1	-58.5	-160.2	156.5	0	0	113.6	D416 L417 W428	E414-D416 PolarHBondContact O-N 3.46Å; E414-L417 HydrophobicContact CB-CD1 4.23Å; E414-L417 WeakPolarHBondContact O-CB 3.49Å; E414-L417 WeakPolarHBondContact O-CG 3.33Å; E414-L417 PolarHBondContact O-N 3.36Å; E414-W428 HydrophobicContact CG-CH2 4.25Å; E414-W428 HydrophobicContact CG-CZ3 3.88Å
415	Q	81.2	Confident	85.6	Confident	154 Å²	154	55.9 Å²	55.9	72%	0.72	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-63.7	-23.1	178.3	63.8	-172.3	8.3	0	0	113.4	E413	E413-Q415 HydrophobicContact CB-CG 4.08Å; E413-Q415 PolarHBondContact O-N 2.97Å; E413-Q415 PolarHBondContact OE2-NE2 3.15Å
416	D	78.7	Confident	85	Confident	40 Å²	40	59 Å²	59	21%	0.214	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-84.7	-18.2	180	-69.1	-15.2	0	0	0	112.8	E413 E414 G418 L419 Y420 R431	E413-D416 WeakPolarHBondContact O-CB 3.21Å; E413-D416 PolarHBondContact O-N 3.14Å; E414-D416 PolarHBondContact O-N 3.46Å; D416-G418 VanDerWaalsContact C-N 3.27Å; D416-G418 PolarHBondContact O-N 2.85Å; D416-L419 VanDerWaalsContact O-CB 3.3Å; D416-L419 WeakPolarHBondContact O-CB 3.47Å; D416-L419 PolarHBondContact O-N 2.92Å; D416-Y420 WeakPolarHBondContact O-CD2 3.48Å; D416-R431 IonicContact OD2-NH2 3.81Å
417	L	84.2	Confident	84.6	Confident	3 Å²	3	59 Å²	59	2%	0.016	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-61.6	-34.8	-170.9	-64.3	175.9	0	0	0	113.2	V412 E414 L419 Y420 L424 A427 W428	V412-L417 HydrophobicContact CG1-CD2 3.63Å; V412-L417 HydrophobicContact CG1-CG 4.36Å; E414-L417 HydrophobicContact CB-CD1 4.23Å; E414-L417 WeakPolarHBondContact O-CB 3.49Å; E414-L417 WeakPolarHBondContact O-CG 3.33Å; E414-L417 PolarHBondContact O-N 3.36Å; L417-L419 PolarHBondContact O-N 3.1Å; L417-Y420 PolarHBondContact O-N 3.31Å; L417-L424 HydrophobicContact CB-CD2 4.03Å; L417-A427 HydrophobicContact CB-CB 4.13Å; L417-A427 HydrophobicContact CD2-CB 4.2Å; L417-A427 VanDerWaalsContact O-CB 3.3Å; L417-A427 WeakPolarHBondContact O-CB 3.23Å; L417-W428 HydrophobicContact CD1-CE3 3.52Å; L417-W428 HydrophobicContact CD1-CZ3 3.89Å; L417-W428 HydrophobicContact CD2-CB 4.02Å; L417-W428 HydrophobicContact CD2-CD2 4.35Å; L417-W428 HydrophobicContact CD2-CE3 4.04Å; L417-W428 HydrophobicContact CD2-CG 4.42Å; L417-W428 HydrophobicContact CG-CE3 4.37Å
418	G	77.5	Confident	84.2	Confident	64 Å²	64	61 Å²	61	66%	0.66	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-60.8	-17.4	179.1	0	0	0	0	0	113.9	D416	D416-G418 VanDerWaalsContact C-N 3.27Å; D416-G418 PolarHBondContact O-N 2.85Å
419	L	75.2	Confident	83.9	Confident	114 Å²	114	61.7 Å²	61.7	60%	0.597	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-81.7	-16.2	177.6	-56.9	173.5	0	0	0	113.2	D416 L417	D416-L419 VanDerWaalsContact O-CB 3.3Å; D416-L419 WeakPolarHBondContact O-CB 3.47Å; D416-L419 PolarHBondContact O-N 2.92Å; L417-L419 PolarHBondContact O-N 3.1Å
420	Y	79.4	Confident	83.8	Confident	29 Å²	29	63.6 Å²	63.6	11%	0.114	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-47.5	-170.4	-78.1	-110.7	0	0	0	112.9	D416 L417 L430 R431 D434 A578 R581	D416-Y420 WeakPolarHBondContact O-CD2 3.48Å; L417-Y420 PolarHBondContact O-N 3.31Å; Y420-L430 HydrophobicContact CD1-CB 3.66Å; Y420-L430 HydrophobicContact CE1-CB 4.28Å; Y420-R431 HydrophobicContact CD1-CB 4.26Å; Y420-R431 HydrophobicContact CE1-CB 3.87Å; Y420-R431 HydrophobicContact CE2-CB 4.35Å; Y420-R431 HydrophobicContact CE2-CG 4.49Å; Y420-R431 WeakPolarHBondContact OH-CD 3.48Å; Y420-R431 PolarHBondContact OH-NH1 3.39Å; Y420-D434 VanDerWaalsContact CE1-OD2 3.25Å; Y420-D434 WeakPolarHBondContact CE1-OD2 3.25Å; Y420-D434 PolarHBondContact OH-OD2 3.38Å; Y420-A578 WeakPolarHBondContact OH-CB 3.24Å; Y420-R581 VanDerWaalsContact CD1-NH1 3.33Å
421	S	78.5	Confident	83.9	Confident	43 Å²	43	64.2 Å²	64.2	30%	0.301	34%	0.336	S	S	.	.			trans	-162	154.3	-177.9	-178.2	0	0	0	0	110.6	D423	S421-D423 WeakPolarHBondContact CB-O 3.42Å; S421-D423 PolarHBondContact OG-N 2.93Å; S421-D423 PolarHBondContact OG-O 2.8Å
422	K	80.5	Confident	84.1	Confident	215 Å²	215	62.2 Å²	62.2	94%	0.935	32%	0.32	S	S	*	.	S	Bend	trans	-68.8	-26.7	167.1	-68.2	-176.7	179.3	177.8	0	111.9	L424	K422-L424 PolarHBondContact O-N 2.98Å
423	D	84.4	Confident	84.3	Confident	68 Å²	68	64.7 Å²	64.7	36%	0.364	33%	0.331	S	S	.	.	S	Bend	trans	-83.8	102.4	169.4	178.2	-0.8	0	0	0	108.6	S421 N425 N426 A427	S421-D423 WeakPolarHBondContact CB-O 3.42Å; S421-D423 PolarHBondContact OG-N 2.93Å; S421-D423 PolarHBondContact OG-O 2.8Å; D423-N425 PolarHBondContact O-N 3.04Å; D423-N425 WeakPolarHBondContact OD1-CB 3.41Å; D423-N425 PolarHBondContact OD1-N 2.91Å; D423-N425 VanDerWaalsContact OD1-N 3.08Å; D423-N426 HydrophobicContact CB-CB 4.19Å; D423-N426 PolarHBondContact O-N 3.38Å; D423-N426 VanDerWaalsContact O-N 3.16Å; D423-N426 PolarHBondContact OD2-ND2 3.4Å; D423-A427 PolarHBondContact O-N 2.99Å
424	L	81	Confident	84.9	Confident	69 Å²	69	61.1 Å²	61.1	36%	0.361	32%	0.315	S	S	.	.	H	α-helix	trans	-58.6	-29.8	-176.8	-66	175.7	0	0	0	112.7	M230 L417 K422 A427 W428	M230-L424 HydrophobicContact CE-CD1 4.44Å; M230-L424 HydrophobicContact SD-CD1 3.75Å; L417-L424 HydrophobicContact CB-CD2 4.03Å; K422-L424 PolarHBondContact O-N 2.98Å; L424-A427 WeakPolarHBondContact O-CB 3.42Å; L424-A427 PolarHBondContact O-N 3.46Å; L424-W428 WeakPolarHBondContact O-CB 3.43Å; L424-W428 PolarHBondContact O-N 2.96Å
425	N	78.7	Confident	85.5	Confident	50 Å²	50	57.1 Å²	57.1	27%	0.267	30%	0.297	S	S	.	.	H	α-helix	trans	-69.1	-45.1	179.1	-63.6	-27.5	0	0	0	111.2	K229 D423 A427 W428 L429	K229-N425 WeakPolarHBondContact CB-OD1 3.28Å; K229-N425 HydrophobicContact CD-CB 3.78Å; K229-N425 WeakPolarHBondContact CD-OD1 3.4Å; K229-N425 HydrophobicContact CG-CB 4.42Å; K229-N425 WeakPolarHBondContact CG-OD1 3.44Å; D423-N425 PolarHBondContact O-N 3.04Å; D423-N425 WeakPolarHBondContact OD1-CB 3.41Å; D423-N425 PolarHBondContact OD1-N 2.91Å; D423-N425 VanDerWaalsContact OD1-N 3.08Å; N425-A427 VanDerWaalsContact C-N 3.34Å; N425-W428 PolarHBondContact O-N 3.01Å; N425-L429 PolarHBondContact O-N 3.45Å
426	N	85.4	Confident	86.2	Confident	65 Å²	65	50 Å²	50	35%	0.348	26%	0.263	S	S	.	.	H	α-helix	trans	-69.6	-35.1	174.7	-81.5	-36.7	0	0	0	111.2	D423 W428 L430	D423-N426 HydrophobicContact CB-CB 4.19Å; D423-N426 PolarHBondContact O-N 3.38Å; D423-N426 VanDerWaalsContact O-N 3.16Å; D423-N426 PolarHBondContact OD2-ND2 3.4Å; N426-W428 VanDerWaalsContact C-N 3.32Å; N426-W428 PolarHBondContact O-N 2.93Å; N426-L430 WeakPolarHBondContact O-CB 3.31Å; N426-L430 WeakPolarHBondContact O-CD1 3.47Å; N426-L430 WeakPolarHBondContact O-CG 3.45Å; N426-L430 PolarHBondContact O-N 2.96Å
427	A	88.5	Confident	87	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-45	173.5	0	0	0	0	0	112	L417 D423 L424 N425 L430 R431	L417-A427 HydrophobicContact CB-CB 4.13Å; L417-A427 HydrophobicContact CD2-CB 4.2Å; L417-A427 VanDerWaalsContact O-CB 3.3Å; L417-A427 WeakPolarHBondContact O-CB 3.23Å; D423-A427 PolarHBondContact O-N 2.99Å; L424-A427 WeakPolarHBondContact O-CB 3.42Å; L424-A427 PolarHBondContact O-N 3.46Å; N425-A427 VanDerWaalsContact C-N 3.34Å; A427-L430 PolarHBondContact O-N 3.29Å; A427-R431 WeakPolarHBondContact O-CB 3.3Å; A427-R431 PolarHBondContact O-N 3.34Å
428	W	89.5	Confident	87.6	Confident	42 Å²	42	50.2 Å²	50.2	16%	0.159	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-53.6	178.9	-165.3	-67.7	0	0	0	111.5	W231 V412 E414 L417 L424 N425 N426 L430 R431 E432	W231-W428 AromaticContact CD1-CH2 3.49Å; W231-W428 VanDerWaalsContact CD1-CH2 3.49Å; W231-W428 AromaticContact NE1-CH2 3.42Å; W231-W428 AromaticContact NE1-CZ2 3.61Å; V412-W428 HydrophobicContact CB-CD2 4.28Å; V412-W428 HydrophobicContact CB-CH2 4.29Å; V412-W428 HydrophobicContact CB-CZ2 3.76Å; V412-W428 HydrophobicContact CG1-CD2 4.12Å; V412-W428 HydrophobicContact CG1-CE3 4.36Å; V412-W428 HydrophobicContact CG1-CH2 4.48Å; V412-W428 HydrophobicContact CG1-CZ2 4.3Å; V412-W428 HydrophobicContact CG2-CZ2 4.46Å; E414-W428 HydrophobicContact CG-CH2 4.25Å; E414-W428 HydrophobicContact CG-CZ3 3.88Å; L417-W428 HydrophobicContact CD1-CE3 3.52Å; L417-W428 HydrophobicContact CD1-CZ3 3.89Å; L417-W428 HydrophobicContact CD2-CB 4.02Å; L417-W428 HydrophobicContact CD2-CD2 4.35Å; L417-W428 HydrophobicContact CD2-CE3 4.04Å; L417-W428 HydrophobicContact CD2-CG 4.42Å; L417-W428 HydrophobicContact CG-CE3 4.37Å; L424-W428 WeakPolarHBondContact O-CB 3.43Å; L424-W428 PolarHBondContact O-N 2.96Å; N425-W428 PolarHBondContact O-N 3.01Å; N426-W428 VanDerWaalsContact C-N 3.32Å; N426-W428 PolarHBondContact O-N 2.93Å; W428-L430 VanDerWaalsContact C-N 3.31Å; W428-L430 PolarHBondContact O-N 3.07Å; W428-R431 WeakPolarHBondContact O-CB 3.45Å; W428-R431 PolarHBondContact O-N 3.46Å; W428-E432 PolarHBondContact O-N 3.48Å
429	L	90.9	Very high	88.5	Confident	16 Å²	16	47.1 Å²	47.1	8%	0.084	23%	0.233	C	C	.	.	H	α-helix	trans	-56.8	-44.7	179.3	175.3	54.9	0	0	0	111.8	N160 I192 D193 N425 R431 E432 Q433	N160-L429 HydrophobicContact CB-CD1 4.03Å; N160-L429 WeakPolarHBondContact O-CD1 3.4Å; I192-L429 HydrophobicContact CD1-CD2 4.4Å; D193-L429 HydrophobicContact CB-CD2 4.22Å; N425-L429 PolarHBondContact O-N 3.45Å; L429-R431 VanDerWaalsContact C-N 3.3Å; L429-R431 PolarHBondContact O-N 2.95Å; L429-E432 PolarHBondContact O-N 3.04Å; L429-Q433 HydrophobicContact CD1-CG 4.36Å; L429-Q433 VanDerWaalsContact O-CG 3.29Å; L429-Q433 WeakPolarHBondContact O-CG 3.28Å; L429-Q433 PolarHBondContact O-N 3.27Å
430	L	92.1	Very high	89.5	Confident	57 Å²	57	42.1 Å²	42.1	30%	0.298	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-34.3	177.7	-71.7	171.4	0	0	0	112.3	Y420 N426 A427 W428 D434	Y420-L430 HydrophobicContact CD1-CB 3.66Å; Y420-L430 HydrophobicContact CE1-CB 4.28Å; N426-L430 WeakPolarHBondContact O-CB 3.31Å; N426-L430 WeakPolarHBondContact O-CD1 3.47Å; N426-L430 WeakPolarHBondContact O-CG 3.45Å; N426-L430 PolarHBondContact O-N 2.96Å; A427-L430 PolarHBondContact O-N 3.29Å; W428-L430 VanDerWaalsContact C-N 3.31Å; W428-L430 PolarHBondContact O-N 3.07Å; L430-D434 PolarHBondContact O-N 2.9Å; L430-D434 VanDerWaalsContact O-N 3.1Å
431	R	92.6	Very high	90.3	Very high	36 Å²	36	41 Å²	41	14%	0.136	20%	0.202	C	C	.	.	H	α-helix	trans	-69.5	-43.9	175.8	-178.8	62.3	175.6	149.1	-6.4	111.6	V412 D416 Y420 A427 W428 L429 Q433 D434 L435	V412-R431 HydrophobicContact CB-CG 4.31Å; V412-R431 HydrophobicContact CG1-CB 4.18Å; V412-R431 HydrophobicContact CG1-CG 3.77Å; V412-R431 HydrophobicContact CG2-CB 4.16Å; V412-R431 HydrophobicContact CG2-CG 3.79Å; D416-R431 IonicContact OD2-NH2 3.81Å; Y420-R431 HydrophobicContact CD1-CB 4.26Å; Y420-R431 HydrophobicContact CE1-CB 3.87Å; Y420-R431 HydrophobicContact CE2-CB 4.35Å; Y420-R431 HydrophobicContact CE2-CG 4.49Å; Y420-R431 WeakPolarHBondContact OH-CD 3.48Å; Y420-R431 PolarHBondContact OH-NH1 3.39Å; A427-R431 WeakPolarHBondContact O-CB 3.3Å; A427-R431 PolarHBondContact O-N 3.34Å; W428-R431 WeakPolarHBondContact O-CB 3.45Å; W428-R431 PolarHBondContact O-N 3.46Å; L429-R431 VanDerWaalsContact C-N 3.3Å; L429-R431 PolarHBondContact O-N 2.95Å; R431-Q433 VanDerWaalsContact C-N 3.3Å; R431-Q433 PolarHBondContact O-N 3.33Å; R431-D434 PolarHBondContact O-N 3.39Å; R431-L435 HydrophobicContact CG-CD1 4.16Å; R431-L435 WeakPolarHBondContact O-CG 3.29Å; R431-L435 PolarHBondContact O-N 3.32Å
432	E	93.1	Very high	91.1	Very high	31 Å²	31	39.6 Å²	39.6	15%	0.145	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-42.6	174.9	-70.1	-174	123.1	0	0	111.3	K161 V412 W428 L429 D434 L435 F436	K161-E432 IonicContact NZ-OE1 2.64Å; K161-E432 PolarHBondContact NZ-OE1 3.2Å; V412-E432 HydrophobicContact CG2-CG 3.54Å; W428-E432 PolarHBondContact O-N 3.48Å; L429-E432 PolarHBondContact O-N 3.04Å; E432-D434 PolarHBondContact O-N 3.07Å; E432-L435 PolarHBondContact O-N 3.21Å; E432-F436 WeakPolarHBondContact O-CB 3.15Å; E432-F436 PolarHBondContact O-N 3.45Å
433	Q	94.6	Very high	91.8	Very high	66 Å²	66	29.3 Å²	29.3	31%	0.308	15%	0.146	S	C	.	.	H	α-helix	trans	-58.4	-47.2	174.4	-74	171.8	-1.6	0	0	112.2	H163 L429 R431 L435 F436 V437	H163-Q433 HydrophobicContact CB-CG 3.8Å; L429-Q433 HydrophobicContact CD1-CG 4.36Å; L429-Q433 VanDerWaalsContact O-CG 3.29Å; L429-Q433 WeakPolarHBondContact O-CG 3.28Å; L429-Q433 PolarHBondContact O-N 3.27Å; R431-Q433 VanDerWaalsContact C-N 3.3Å; R431-Q433 PolarHBondContact O-N 3.33Å; Q433-L435 VanDerWaalsContact C-N 3.32Å; Q433-L435 PolarHBondContact O-N 2.76Å; Q433-F436 PolarHBondContact O-N 2.94Å; Q433-V437 WeakPolarHBondContact O-CG2 3.48Å; Q433-V437 PolarHBondContact O-N 3.35Å
434	D	94.3	Very high	92.3	Very high	34 Å²	34	26.1 Å²	26.1	18%	0.182	13%	0.129	C	C	.	.	H	α-helix	trans	-62.9	-38.3	178.2	-79	-23.8	0	0	0	112.1	Y420 L430 R431 E432 H438 A578 R581	Y420-D434 VanDerWaalsContact CE1-OD2 3.25Å; Y420-D434 WeakPolarHBondContact CE1-OD2 3.25Å; Y420-D434 PolarHBondContact OH-OD2 3.38Å; L430-D434 PolarHBondContact O-N 2.9Å; L430-D434 VanDerWaalsContact O-N 3.1Å; R431-D434 PolarHBondContact O-N 3.39Å; E432-D434 PolarHBondContact O-N 3.07Å; D434-H438 WeakPolarHBondContact O-CB 3.49Å; D434-H438 PolarHBondContact O-N 3.15Å; D434-H438 VanDerWaalsContact O-N 3.11Å; D434-A578 HydrophobicContact CB-CB 3.73Å; D434-A578 VanDerWaalsContact OD2-CB 3.27Å; D434-A578 WeakPolarHBondContact OD2-CB 3.4Å; D434-R581 IonicContact OD1-NH2 2.78Å; D434-R581 IonicContact OD2-CZ 2.95Å; D434-R581 VanDerWaalsContact OD2-CZ 3.27Å; D434-R581 IonicContact OD2-NE 3.27Å; D434-R581 PolarHBondContact OD2-NE 2.94Å; D434-R581 IonicContact OD2-NH2 2.69Å; D434-R581 PolarHBondContact OD2-NH2 3.24Å
435	L	94.9	Very high	92.8	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-68.3	-37.9	175.5	-70.9	169.2	0	0	0	111.9	P409 S410 V412 R431 E432 Q433 H438 L439 P577	P409-L435 HydrophobicContact CB-CB 4.32Å; S410-L435 WeakPolarHBondContact O-CD1 3.43Å; V412-L435 HydrophobicContact CG2-CD1 4.03Å; R431-L435 HydrophobicContact CG-CD1 4.16Å; R431-L435 WeakPolarHBondContact O-CG 3.29Å; R431-L435 PolarHBondContact O-N 3.32Å; E432-L435 PolarHBondContact O-N 3.21Å; Q433-L435 VanDerWaalsContact C-N 3.32Å; Q433-L435 PolarHBondContact O-N 2.76Å; L435-H438 WeakPolarHBondContact O-CB 3.28Å; L435-H438 PolarHBondContact O-N 3.47Å; L435-L439 PolarHBondContact O-N 3.16Å; L435-P577 HydrophobicContact CD2-CB 4.26Å
436	F	96.7	Very high	93.4	Very high	5 Å²	5	23 Å²	23	2%	0.022	11%	0.113	C	C	.	.	H	α-helix	trans	-73	-36.8	178.5	-173.3	-107.2	0	0	0	112.8	H163 T164 Y167 I266 E432 Q433 H438 L439 R440	H163-F436 VanDerWaalsContact O-CD1 3.31Å; H163-F436 WeakPolarHBondContact O-CD1 3.36Å; H163-F436 WeakPolarHBondContact O-CE1 3.38Å; T164-F436 HydrophobicContact CG2-CB 4.24Å; T164-F436 HydrophobicContact CG2-CD1 4.14Å; T164-F436 HydrophobicContact CG2-CD2 3.51Å; T164-F436 HydrophobicContact CG2-CE1 4.44Å; T164-F436 HydrophobicContact CG2-CE2 3.85Å; T164-F436 HydrophobicContact CG2-CG 3.67Å; T164-F436 HydrophobicContact CG2-CZ 4.32Å; Y167-F436 AromaticContact CD2-CE1 3.37Å; Y167-F436 HydrophobicContact CD2-CE1 3.37Å; Y167-F436 AromaticContact CD2-CZ 3.48Å; Y167-F436 HydrophobicContact CD2-CZ 3.48Å; Y167-F436 VanDerWaalsContact CD2-CZ 3.48Å; Y167-F436 AromaticContact CE2-CE1 3.7Å; Y167-F436 HydrophobicContact CE2-CE1 3.7Å; Y167-F436 HydrophobicContact CE2-CZ 4.24Å; Y167-F436 HydrophobicContact CG-CE1 4.06Å; Y167-F436 AromaticContact CG-CZ 3.73Å; Y167-F436 HydrophobicContact CG-CZ 3.73Å; I266-F436 HydrophobicContact CD1-CE2 3.8Å; I266-F436 HydrophobicContact CD1-CZ 4.16Å; I266-F436 HydrophobicContact CG1-CE2 3.85Å; I266-F436 HydrophobicContact CG1-CZ 4.49Å; E432-F436 WeakPolarHBondContact O-CB 3.15Å; E432-F436 PolarHBondContact O-N 3.45Å; Q433-F436 PolarHBondContact O-N 2.94Å; F436-H438 VanDerWaalsContact C-N 3.32Å; F436-L439 HydrophobicContact CD2-CD1 4.44Å; F436-L439 HydrophobicContact CE2-CD2 4.26Å; F436-L439 WeakPolarHBondContact O-CB 3.27Å; F436-L439 PolarHBondContact O-N 2.83Å; F436-R440 HydrophobicContact CE1-CG 4.19Å; F436-R440 HydrophobicContact CZ-CG 4.21Å; F436-R440 PolarHBondContact O-N 2.87Å
437	V	96.3	Very high	93.7	Very high	30 Å²	30	21.6 Å²	21.6	18%	0.182	10%	0.104	C	C	.	.	H	α-helix	trans	-58	-50.2	169	172.7	0	0	0	0	109.2	Q433 L439 R440 L441 L500	Q433-V437 WeakPolarHBondContact O-CG2 3.48Å; Q433-V437 PolarHBondContact O-N 3.35Å; V437-L439 VanDerWaalsContact C-N 3.29Å; V437-L439 PolarHBondContact O-N 2.82Å; V437-R440 PolarHBondContact O-N 3.43Å; V437-R440 VanDerWaalsContact O-N 3.1Å; V437-L441 HydrophobicContact CG1-CD1 4.41Å; V437-L441 HydrophobicContact CG1-CG 4.46Å; V437-L441 WeakPolarHBondContact O-CG 3.3Å; V437-L441 PolarHBondContact O-N 2.95Å; V437-L441 VanDerWaalsContact O-N 3.14Å; V437-L500 HydrophobicContact CG1-CD2 3.99Å
438	H	96.2	Very high	93.7	Very high	16 Å²	16	24.2 Å²	24.2	7%	0.074	12%	0.117	C	C	.	.	H	α-helix	trans	-55.4	-42.2	176.3	179.7	-87.1	0	0	0	112.8	T310 D434 L435 F436 R440 L441 Q442 F575 P577	T310-H438 PolarHBondContact O-CE1 3.46Å; D434-H438 WeakPolarHBondContact O-CB 3.49Å; D434-H438 PolarHBondContact O-N 3.15Å; D434-H438 VanDerWaalsContact O-N 3.11Å; L435-H438 WeakPolarHBondContact O-CB 3.28Å; L435-H438 PolarHBondContact O-N 3.47Å; F436-H438 VanDerWaalsContact C-N 3.32Å; H438-R440 VanDerWaalsContact C-N 3.31Å; H438-R440 PolarHBondContact O-N 2.84Å; H438-L441 PolarHBondContact O-N 2.81Å; H438-L441 VanDerWaalsContact O-N 3.15Å; H438-Q442 WeakPolarHBondContact O-CB 3.45Å; H438-Q442 PolarHBondContact O-N 2.76Å; H438-F575 PolarHBondContact CD2-O 3.03Å; H438-F575 PolarHBondContact NE2-O 2.79Å; H438-P577 HydrophobicContact CB-CB 4.35Å; H438-P577 HydrophobicContact CB-CG 4.41Å; H438-P577 VanDerWaalsContact CD2-CD 3.46Å; H438-P577 WeakPolarHBondContact CD2-CD 3.29Å
439	L	96.9	Very high	93.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-54.7	-46.8	175.9	-179.6	156.8	0	0	0	111.9	I266 T310 P409 L435 F436 V437 L441 Q442 A443 V453	I266-L439 HydrophobicContact CG1-CD1 4.47Å; I266-L439 HydrophobicContact CG1-CD2 4.09Å; T310-L439 HydrophobicContact CG2-CB 4.31Å; T310-L439 HydrophobicContact CG2-CG 3.91Å; T310-L439 VanDerWaalsContact OG1-CA 3.28Å; T310-L439 WeakPolarHBondContact OG1-CA 3.41Å; T310-L439 WeakPolarHBondContact OG1-CB 3.39Å; P409-L439 HydrophobicContact CB-CD1 4.35Å; L435-L439 PolarHBondContact O-N 3.16Å; F436-L439 HydrophobicContact CD2-CD1 4.44Å; F436-L439 HydrophobicContact CE2-CD2 4.26Å; F436-L439 WeakPolarHBondContact O-CB 3.27Å; F436-L439 PolarHBondContact O-N 2.83Å; V437-L439 VanDerWaalsContact C-N 3.29Å; V437-L439 PolarHBondContact O-N 2.82Å; L439-L441 VanDerWaalsContact C-N 3.33Å; L439-L441 PolarHBondContact O-N 3.08Å; L439-Q442 PolarHBondContact O-N 2.85Å; L439-A443 VanDerWaalsContact O-CB 3.28Å; L439-A443 WeakPolarHBondContact O-CB 3.29Å; L439-A443 PolarHBondContact O-N 3.49Å; L439-V453 HydrophobicContact CD2-CG2 4.19Å
440	R	96.2	Very high	92.9	Very high	8 Å²	8	32.4 Å²	32.4	3%	0.03	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-36.5	179.4	-62.8	-176	-61.1	134.2	14.4	112.2	Y167 F436 V437 H438 V453	Y167-R440 PolarHBondContact OH-NH1 3.4Å; F436-R440 HydrophobicContact CE1-CG 4.19Å; F436-R440 HydrophobicContact CZ-CG 4.21Å; F436-R440 PolarHBondContact O-N 2.87Å; V437-R440 PolarHBondContact O-N 3.43Å; V437-R440 VanDerWaalsContact O-N 3.1Å; H438-R440 VanDerWaalsContact C-N 3.31Å; H438-R440 PolarHBondContact O-N 2.84Å; R440-V453 HydrophobicContact CG-CB 4.08Å; R440-V453 HydrophobicContact CG-CG1 3.98Å
441	L	96.3	Very high	92.7	Very high	5 Å²	5	32.9 Å²	32.9	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-68.8	-42.7	175.7	-55.1	-174.1	0	0	0	112.3	V437 H438 L439 I444 M496 Q499 L500 F575	V437-L441 HydrophobicContact CG1-CD1 4.41Å; V437-L441 HydrophobicContact CG1-CG 4.46Å; V437-L441 WeakPolarHBondContact O-CG 3.3Å; V437-L441 PolarHBondContact O-N 2.95Å; V437-L441 VanDerWaalsContact O-N 3.14Å; H438-L441 PolarHBondContact O-N 2.81Å; H438-L441 VanDerWaalsContact O-N 3.15Å; L439-L441 VanDerWaalsContact C-N 3.33Å; L439-L441 PolarHBondContact O-N 3.08Å; L441-I444 WeakPolarHBondContact O-CG2 3.27Å; L441-M496 HydrophobicContact CD2-CB 3.96Å; L441-M496 HydrophobicContact CD2-CG 3.93Å; L441-Q499 HydrophobicContact CD2-CB 3.7Å; L441-Q499 HydrophobicContact CD2-CG 4.08Å; L441-L500 HydrophobicContact CD1-CD1 4.04Å; L441-L500 HydrophobicContact CD1-CD2 4.02Å; L441-L500 HydrophobicContact CD1-CG 4Å; L441-F575 HydrophobicContact CD1-CB 4.09Å; L441-F575 HydrophobicContact CD1-CD2 4.31Å
442	Q	95	Very high	92.7	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.065	17%	0.166	C	C	.	.	H	α-helix	trans	-71.7	-36.1	-179.5	-171	58.1	47.1	0	0	111.3	T310 H438 L439 I444 I445 D446	T310-Q442 HydrophobicContact CG2-CB 3.87Å; T310-Q442 HydrophobicContact CG2-CG 4.06Å; H438-Q442 WeakPolarHBondContact O-CB 3.45Å; H438-Q442 PolarHBondContact O-N 2.76Å; L439-Q442 PolarHBondContact O-N 2.85Å; Q442-I444 VanDerWaalsContact C-N 3.34Å; Q442-I444 PolarHBondContact O-N 2.88Å; Q442-I445 WeakPolarHBondContact O-CB 3.48Å; Q442-I445 PolarHBondContact O-N 2.79Å; Q442-I445 VanDerWaalsContact O-N 3.14Å; Q442-D446 PolarHBondContact NE2-OD1 3.04Å; Q442-D446 WeakPolarHBondContact O-CB 3.26Å; Q442-D446 PolarHBondContact O-N 3Å
443	A	94.8	Very high	92.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.2	-42.7	178.4	0	0	0	0	0	112.6	Y407 L439 I445 D446 Q447 V453	Y407-A443 HydrophobicContact CD2-CB 3.83Å; Y407-A443 HydrophobicContact CE2-CB 3.46Å; Y407-A443 VanDerWaalsContact CE2-CB 3.46Å; L439-A443 VanDerWaalsContact O-CB 3.28Å; L439-A443 WeakPolarHBondContact O-CB 3.29Å; L439-A443 PolarHBondContact O-N 3.49Å; A443-I445 VanDerWaalsContact C-N 3.3Å; A443-I445 PolarHBondContact O-N 3.16Å; A443-D446 PolarHBondContact O-N 3.28Å; A443-Q447 VanDerWaalsContact O-CB 3.31Å; A443-Q447 WeakPolarHBondContact O-CB 3.46Å; A443-Q447 VanDerWaalsContact O-CG 3.23Å; A443-Q447 WeakPolarHBondContact O-CG 3.39Å; A443-Q447 PolarHBondContact O-N 3.34Å; A443-V453 HydrophobicContact CB-CG2 3.67Å
444	I	93.8	Very high	92.9	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-67.1	-31.5	178.5	-171.4	171	0	0	0	112.5	L441 Q442 E448 D449 R452 K492 Y495	L441-I444 WeakPolarHBondContact O-CG2 3.27Å; Q442-I444 VanDerWaalsContact C-N 3.34Å; Q442-I444 PolarHBondContact O-N 2.88Å; I444-E448 PolarHBondContact O-N 2.97Å; I444-D449 WeakPolarHBondContact CD1-OD1 3.39Å; I444-D449 WeakPolarHBondContact CG1-OD1 3.38Å; I444-D449 PolarHBondContact O-N 3.11Å; I444-D449 VanDerWaalsContact O-N 3.1Å; I444-R452 HydrophobicContact CD1-CG 4.07Å; I444-R452 HydrophobicContact CG1-CG 4.35Å; I444-K492 HydrophobicContact CD1-CG 4.34Å; I444-K492 HydrophobicContact CG1-CG 4.37Å; I444-K492 HydrophobicContact CG2-CG 4.48Å; I444-Y495 HydrophobicContact CB-CE1 4.37Å; I444-Y495 HydrophobicContact CD1-CD1 3.57Å; I444-Y495 HydrophobicContact CD1-CE1 3.98Å; I444-Y495 HydrophobicContact CD1-CG 4Å; I444-Y495 HydrophobicContact CG2-CD1 4.04Å; I444-Y495 HydrophobicContact CG2-CE1 3.96Å
445	I	93.3	Very high	93.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-70.9	-50	174.4	-63.6	164.6	0	0	0	110.2	Q442 A443 Q447 E448 K492 M496 R574 Q692 R693	Q442-I445 WeakPolarHBondContact O-CB 3.48Å; Q442-I445 PolarHBondContact O-N 2.79Å; Q442-I445 VanDerWaalsContact O-N 3.14Å; A443-I445 VanDerWaalsContact C-N 3.3Å; A443-I445 PolarHBondContact O-N 3.16Å; I445-Q447 VanDerWaalsContact C-N 3.29Å; I445-Q447 PolarHBondContact O-N 3.26Å; I445-E448 PolarHBondContact O-N 2.99Å; I445-E448 VanDerWaalsContact O-N 3.16Å; I445-K492 HydrophobicContact CG1-CD 4.15Å; I445-M496 HydrophobicContact CD1-SD 4.17Å; I445-R574 HydrophobicContact CD1-CB 3.57Å; I445-Q692 HydrophobicContact CD1-CG 4.1Å; I445-Q692 HydrophobicContact CG1-CG 4.26Å; I445-Q692 HydrophobicContact CG2-CB 4.28Å; I445-Q692 HydrophobicContact CG2-CG 4.28Å; I445-R693 PolarHBondContact O-NH2 3.31Å
446	D	91.2	Very high	93.2	Very high	53 Å²	53	34.4 Å²	34.4	28%	0.283	16%	0.162	S	C	.	.	H	α-helix	trans	-62.4	-36	-178.9	-75.5	-3.7	0	0	0	112.6	Y407 Q442 A443 E448	Y407-D446 HydrophobicContact CE1-CB 4.47Å; Y407-D446 WeakPolarHBondContact CE1-OD2 3.23Å; Y407-D446 WeakPolarHBondContact OH-CB 3.47Å; Y407-D446 PolarHBondContact OH-OD2 2.81Å; Q442-D446 PolarHBondContact NE2-OD1 3.04Å; Q442-D446 WeakPolarHBondContact O-CB 3.26Å; Q442-D446 PolarHBondContact O-N 3Å; A443-D446 PolarHBondContact O-N 3.28Å; D446-E448 VanDerWaalsContact C-N 3.33Å
447	Q	90	Very high	93.2	Very high	35 Å²	35	41.6 Å²	41.6	16%	0.164	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.5	178.8	-62.4	-56.6	-48.2	0	0	113.6	M268 F404 Y407 A443 I445 D449 K450 Q451	M268-Q447 HydrophobicContact CE-CG 4.02Å; F404-Q447 VanDerWaalsContact CE1-NE2 3.28Å; Y407-Q447 PolarHBondContact OH-NE2 3.24Å; A443-Q447 VanDerWaalsContact O-CB 3.31Å; A443-Q447 WeakPolarHBondContact O-CB 3.46Å; A443-Q447 VanDerWaalsContact O-CG 3.23Å; A443-Q447 WeakPolarHBondContact O-CG 3.39Å; A443-Q447 PolarHBondContact O-N 3.34Å; I445-Q447 VanDerWaalsContact C-N 3.29Å; I445-Q447 PolarHBondContact O-N 3.26Å; Q447-D449 VanDerWaalsContact C-N 3.29Å; Q447-D449 PolarHBondContact O-N 2.98Å; Q447-K450 WeakPolarHBondContact O-CB 3.31Å; Q447-K450 WeakPolarHBondContact O-CG 3.48Å; Q447-K450 PolarHBondContact O-N 3.46Å; Q447-Q451 HydrophobicContact CB-CB 4.44Å; Q447-Q451 WeakPolarHBondContact CB-O 3.47Å; Q447-Q451 HydrophobicContact CG-CB 4.38Å
448	E	88.3	Confident	93.2	Very high	55 Å²	55	42 Å²	42	26%	0.257	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	49.7	-177.7	-59.5	-66.1	168.4	0	0	112.1	I444 I445 D446 K450 K492 R693 L699	I444-E448 PolarHBondContact O-N 2.97Å; I445-E448 PolarHBondContact O-N 2.99Å; I445-E448 VanDerWaalsContact O-N 3.16Å; D446-E448 VanDerWaalsContact C-N 3.33Å; E448-K450 PolarHBondContact O-N 3.47Å; E448-K492 IonicContact OE2-NZ 3.95Å; E448-R693 IonicContact OE1-CZ 3.69Å; E448-R693 IonicContact OE1-NE 2.81Å; E448-R693 PolarHBondContact OE1-NE 3.33Å; E448-R693 IonicContact OE1-NH2 3.42Å; E448-R693 PolarHBondContact OE1-NH2 2.86Å; E448-L699 HydrophobicContact CG-CD1 3.49Å; E448-L699 VanDerWaalsContact CG-CD1 3.49Å; E448-L699 VanDerWaalsContact OE1-CD1 3.31Å; E448-L699 WeakPolarHBondContact OE1-CD1 3.42Å
449	D	80.2	Confident	93.2	Very high	51 Å²	51	41.2 Å²	41.2	27%	0.273	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	2.1	-178	-61.3	-60.6	0	0	0	116.2	I444 Q447 Q451 K492	I444-D449 WeakPolarHBondContact CD1-OD1 3.39Å; I444-D449 WeakPolarHBondContact CG1-OD1 3.38Å; I444-D449 PolarHBondContact O-N 3.11Å; I444-D449 VanDerWaalsContact O-N 3.1Å; Q447-D449 VanDerWaalsContact C-N 3.29Å; Q447-D449 PolarHBondContact O-N 2.98Å; D449-Q451 VanDerWaalsContact C-N 3.34Å; D449-Q451 PolarHBondContact O-N 2.91Å; D449-K492 WeakPolarHBondContact OD2-CE 3.2Å; D449-K492 IonicContact OD2-NZ 3.68Å
450	K	84.8	Confident	93.2	Very high	179 Å²	179	44.3 Å²	44.3	78%	0.778	21%	0.212	S	C	*	.	S	Bend	trans	-67.1	-35	179.8	-63.5	174.7	-177.2	179.3	0	112.9	Q447 E448	Q447-K450 WeakPolarHBondContact O-CB 3.31Å; Q447-K450 WeakPolarHBondContact O-CG 3.48Å; Q447-K450 PolarHBondContact O-N 3.46Å; E448-K450 PolarHBondContact O-N 3.47Å
451	Q	87.3	Confident	93.3	Very high	66 Å²	66	50.2 Å²	50.2	31%	0.308	24%	0.244	S	C	.	.			trans	-145.9	132.7	-178.3	-161.3	-178.7	2.8	0	0	110.8	M268 Q447 D449	M268-Q451 HydrophobicContact CE-CB 3.68Å; M268-Q451 HydrophobicContact CE-CG 3.44Å; M268-Q451 VanDerWaalsContact CE-CG 3.44Å; M268-Q451 PolarHBondContact O-NE2 3.43Å; Q447-Q451 HydrophobicContact CB-CB 4.44Å; Q447-Q451 WeakPolarHBondContact CB-O 3.47Å; Q447-Q451 HydrophobicContact CG-CB 4.38Å; D449-Q451 VanDerWaalsContact C-N 3.34Å; D449-Q451 PolarHBondContact O-N 2.91Å
452	R	92.9	Very high	93.3	Very high	93 Å²	93	52 Å²	52	35%	0.351	25%	0.253	S	S	.	.			trans	-107.2	153.2	175.7	-63.5	179.6	-177	174.9	-0.5	110.2	I444 M454	I444-R452 HydrophobicContact CD1-CG 4.07Å; I444-R452 HydrophobicContact CG1-CG 4.35Å; R452-M454 HydrophobicContact CB-CG 4.35Å; R452-M454 HydrophobicContact CB-SD 4.04Å; R452-M454 PolarHBondContact O-N 3.41Å; R452-M454 VanDerWaalsContact O-N 3.17Å
453	V	96	Very high	93.4	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.036	25%	0.25	C	C	.	.			trans	-75.4	102.7	169	177.6	0	0	0	0	108.2	Y167 I266 M268 L439 R440 A443	Y167-V453 HydrophobicContact CD1-CG1 3.63Å; Y167-V453 HydrophobicContact CG-CG1 4.02Å; I266-V453 HydrophobicContact CG2-CG1 3.77Å; I266-V453 HydrophobicContact CG2-CG2 4.13Å; M268-V453 HydrophobicContact SD-CG2 3.98Å; L439-V453 HydrophobicContact CD2-CG2 4.19Å; R440-V453 HydrophobicContact CG-CB 4.08Å; R440-V453 HydrophobicContact CG-CG1 3.98Å; A443-V453 HydrophobicContact CB-CG2 3.67Å
454	M	95.8	Very high	93.4	Very high	94 Å²	94	55.9 Å²	55.9	46%	0.463	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-102	145.2	-175.6	-64.5	-60.9	-70.3	0	0	111.1	Y167 N170 R452	Y167-M454 VanDerWaalsContact CD1-C 3.45Å; N170-M454 WeakPolarHBondContact CB-O 3.33Å; N170-M454 VanDerWaalsContact CG-O 3.23Å; R452-M454 HydrophobicContact CB-CG 4.35Å; R452-M454 HydrophobicContact CB-SD 4.04Å; R452-M454 PolarHBondContact O-N 3.41Å; R452-M454 VanDerWaalsContact O-N 3.17Å
455	P	97.8	Very high	93.5	Very high	11 Å²	11	62.4 Å²	62.4	7%	0.071	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-76.5	162.6	171.6	35.4	-36.2	0	0	0	110.6	P166 Y167 N170 L460 A463	P166-P455 HydrophobicContact CB-CB 3.74Å; P166-P455 CarbonylContact O-C 3.44Å; P166-P455 VanDerWaalsContact O-CA 3.3Å; P166-P455 WeakPolarHBondContact O-CA 3.25Å; Y167-P455 HydrophobicContact CD1-CB 4.13Å; Y167-P455 HydrophobicContact CE1-CB 3.98Å; Y167-P455 HydrophobicContact CE1-CG 4.24Å; N170-P455 PolarHBondContact ND2-O 3.46Å; P455-L460 HydrophobicContact CG-CD2 3.59Å; P455-L460 HydrophobicContact CG-CG 4.38Å; P455-A463 HydrophobicContact CB-CB 3.57Å; P455-A463 HydrophobicContact CG-CB 3.81Å
456	S	97.9	Very high	93.5	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-59.7	142.5	171.8	171.7	0	0	0	0	108.8	P166 E173 W202 C458 L459 L460	P166-S456 PolarHBondContact O-N 2.9Å; E173-S456 WeakPolarHBondContact OE2-CB 3.38Å; E173-S456 PolarHBondContact OE2-OG 2.95Å; W202-S456 PolarHBondContact NE1-OG 3.38Å; S456-C458 PolarHBondContact O-N 3.26Å; S456-C458 PolarHBondContact OG-SG 2.84Å; S456-L459 CarbonylContact O-C 3.57Å; S456-L459 WeakPolarHBondContact O-CA 3.35Å; S456-L459 PolarHBondContact O-N 3.45Å; S456-L460 PolarHBondContact O-N 2.82Å; S456-L460 VanDerWaalsContact O-N 3.14Å
457	E	95.7	Very high	93.7	Very high	155 Å²	155	64.5 Å²	64.5	72%	0.724	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-55.4	-40.8	-176.9	-171.2	177.8	-176.9	0	0	111.4	L459 L460	E457-L459 PolarHBondContact O-N 3Å; E457-L460 HydrophobicContact CB-CD1 4.49Å; E457-L460 HydrophobicContact CG-CD1 4.04Å; E457-L460 WeakPolarHBondContact O-CD1 3.43Å; E457-L460 WeakPolarHBondContact O-CG 3.44Å; E457-L460 PolarHBondContact O-N 3.03Å
458	C	95.9	Very high	94	Very high	38 Å²	38	65.8 Å²	65.8	26%	0.257	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-68.4	-18.3	177.6	65.2	0	0	0	0	114.4	C205 S456	C205-C458 HydrophobicContact CB-CB 3.63Å; C205-C458 WeakPolarHBondContact SG-CB 3.48Å; S456-C458 PolarHBondContact O-N 3.26Å; S456-C458 PolarHBondContact OG-SG 2.84Å
459	L	98	Very high	94.3	Very high	0 Å²	0	72 Å²	72	0%	0	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-108.2	7.1	-178.6	-60.4	-178.7	0	0	0	112.9	P166 L169 I198 E201 W202 S456 E457 N461 I462 A463	P166-L459 HydrophobicContact CB-CB 4Å; P166-L459 HydrophobicContact CB-CD1 4.13Å; P166-L459 HydrophobicContact CG-CB 4.46Å; P166-L459 HydrophobicContact CG-CD1 4.33Å; L169-L459 HydrophobicContact CD1-CD1 3.68Å; I198-L459 HydrophobicContact CG2-CD1 3.65Å; I198-L459 HydrophobicContact CG2-CD2 4.19Å; E201-L459 HydrophobicContact CB-CD2 3.92Å; E201-L459 HydrophobicContact CG-CD2 3.89Å; W202-L459 HydrophobicContact CB-CD1 3.95Å; W202-L459 HydrophobicContact CB-CD2 4.23Å; W202-L459 HydrophobicContact CB-CG 4.23Å; W202-L459 HydrophobicContact CG-CD1 4.38Å; S456-L459 CarbonylContact O-C 3.57Å; S456-L459 WeakPolarHBondContact O-CA 3.35Å; S456-L459 PolarHBondContact O-N 3.45Å; E457-L459 PolarHBondContact O-N 3Å; L459-N461 VanDerWaalsContact C-N 3.33Å; L459-N461 PolarHBondContact O-N 3.03Å; L459-I462 HydrophobicContact CD2-CD1 3.82Å; L459-I462 WeakPolarHBondContact O-CB 3.1Å; L459-I462 PolarHBondContact O-N 2.96Å; L459-A463 PolarHBondContact O-N 2.96Å
460	L	96.8	Very high	95.1	Very high	66 Å²	66	73.1 Å²	73.1	35%	0.346	36%	0.364	S	S	.	.	H	α-helix	trans	-50.8	-50.7	-179.1	-81.3	165.8	0	0	0	112.2	P455 S456 E457 I462 A463 E464	P455-L460 HydrophobicContact CG-CD2 3.59Å; P455-L460 HydrophobicContact CG-CG 4.38Å; S456-L460 PolarHBondContact O-N 2.82Å; S456-L460 VanDerWaalsContact O-N 3.14Å; E457-L460 HydrophobicContact CB-CD1 4.49Å; E457-L460 HydrophobicContact CG-CD1 4.04Å; E457-L460 WeakPolarHBondContact O-CD1 3.43Å; E457-L460 WeakPolarHBondContact O-CG 3.44Å; E457-L460 PolarHBondContact O-N 3.03Å; L460-I462 VanDerWaalsContact C-N 3.3Å; L460-I462 PolarHBondContact O-N 3.26Å; L460-A463 PolarHBondContact O-N 3.22Å; L460-E464 WeakPolarHBondContact O-CG 3.38Å; L460-E464 PolarHBondContact O-N 3.32Å
461	N	96.4	Very high	95.7	Very high	131 Å²	131	68.1 Å²	68.1	70%	0.701	35%	0.346	S	S	*	.	H	α-helix	trans	-63.6	-35.8	179.9	-69	-32	0	0	0	112.5	L459 N465	L459-N461 VanDerWaalsContact C-N 3.33Å; L459-N461 PolarHBondContact O-N 3.03Å; N461-N465 VanDerWaalsContact O-CB 3.32Å; N461-N465 WeakPolarHBondContact O-CB 3.2Å; N461-N465 PolarHBondContact O-N 3.32Å; N461-N465 VanDerWaalsContact O-N 3.08Å; N461-N465 PolarHBondContact O-ND2 3.26Å
462	I	97.2	Very high	96.2	Very high	44 Å²	44	68.1 Å²	68.1	23%	0.226	34%	0.344	C	S	.	.	H	α-helix	trans	-68.4	-46.5	177.4	-71.6	174.2	0	0	0	109.7	P166 I198 E201 L459 L460 N465 Q466	P166-I462 HydrophobicContact CG-CG2 4.47Å; I198-I462 HydrophobicContact CD1-CG2 3.78Å; I198-I462 HydrophobicContact CG1-CG2 3.85Å; E201-I462 HydrophobicContact CB-CD1 4.26Å; E201-I462 HydrophobicContact CG-CD1 4.03Å; L459-I462 HydrophobicContact CD2-CD1 3.82Å; L459-I462 WeakPolarHBondContact O-CB 3.1Å; L459-I462 PolarHBondContact O-N 2.96Å; L460-I462 VanDerWaalsContact C-N 3.3Å; L460-I462 PolarHBondContact O-N 3.26Å; I462-N465 PolarHBondContact O-N 3.05Å; I462-Q466 WeakPolarHBondContact O-CG 3.41Å; I462-Q466 PolarHBondContact O-N 3.08Å; I462-Q466 VanDerWaalsContact O-N 3.12Å
463	A	96.9	Very high	96.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-44.6	178.8	0	0	0	0	0	111.9	P166 Y167 P455 L459 L460 N465 Q466	P166-A463 HydrophobicContact CB-CB 3.96Å; P166-A463 HydrophobicContact CG-CB 4.32Å; Y167-A463 HydrophobicContact CE2-CB 4.48Å; P455-A463 HydrophobicContact CB-CB 3.57Å; P455-A463 HydrophobicContact CG-CB 3.81Å; L459-A463 PolarHBondContact O-N 2.96Å; L460-A463 PolarHBondContact O-N 3.22Å; A463-N465 PolarHBondContact O-N 2.91Å; A463-Q466 WeakPolarHBondContact O-CB 3.4Å; A463-Q466 PolarHBondContact O-N 3.41Å; A463-Q466 VanDerWaalsContact O-N 3.17Å
464	E	95.2	Very high	96.4	Very high	94 Å²	94	71.5 Å²	71.5	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-40.6	175.9	-73.8	-61.5	144.8	0	0	112	L460 Q466 L467 H498	L460-E464 WeakPolarHBondContact O-CG 3.38Å; L460-E464 PolarHBondContact O-N 3.32Å; E464-Q466 PolarHBondContact O-N 2.89Å; E464-L467 WeakPolarHBondContact O-CB 3.39Å; E464-L467 PolarHBondContact O-N 2.83Å; E464-L467 VanDerWaalsContact O-N 3.13Å; E464-L467 WeakPolarHBondContact OE2-CD1 3.37Å; E464-H498 IonicContact OE2-CE1 3.4Å
465	N	95.4	Very high	96.5	Very high	139 Å²	139	67.5 Å²	67.5	74%	0.743	35%	0.349	S	S	*	.	H	α-helix	trans	-69.1	-17.5	177	-75.6	-39.6	0	0	0	113.9	N461 I462 A463	N461-N465 VanDerWaalsContact O-CB 3.32Å; N461-N465 WeakPolarHBondContact O-CB 3.2Å; N461-N465 PolarHBondContact O-N 3.32Å; N461-N465 VanDerWaalsContact O-N 3.08Å; N461-N465 PolarHBondContact O-ND2 3.26Å; I462-N465 PolarHBondContact O-N 3.05Å; A463-N465 PolarHBondContact O-N 2.91Å
466	Q	94.5	Very high	96.5	Very high	73 Å²	73	69.8 Å²	69.8	34%	0.341	36%	0.361	S	S	.	.	H	α-helix	trans	-82	-15.2	173.9	-72.8	174.5	-19.6	0	0	112.8	A162 I462 A463 E464	A162-Q466 PolarHBondContact O-NE2 3.45Å; A162-Q466 PolarHBondContact O-OE1 2.87Å; I462-Q466 WeakPolarHBondContact O-CG 3.41Å; I462-Q466 PolarHBondContact O-N 3.08Å; I462-Q466 VanDerWaalsContact O-N 3.12Å; A463-Q466 WeakPolarHBondContact O-CB 3.4Å; A463-Q466 PolarHBondContact O-N 3.41Å; A463-Q466 VanDerWaalsContact O-N 3.17Å; E464-Q466 PolarHBondContact O-N 2.89Å
467	L	95.1	Very high	96.5	Very high	24 Å²	24	70.7 Å²	70.7	13%	0.126	37%	0.365	C	S	.	.	S	Bend	trans	-67.4	143.7	179.2	-62.8	-178.2	0	0	0	111.4	E464 H498	E464-L467 WeakPolarHBondContact O-CB 3.39Å; E464-L467 PolarHBondContact O-N 2.83Å; E464-L467 VanDerWaalsContact O-N 3.13Å; E464-L467 WeakPolarHBondContact OE2-CD1 3.37Å; L467-H498 VanDerWaalsContact CD1-CE1 3.41Å; L467-H498 WeakPolarHBondContact CD1-CE1 3.41Å
468	P	95.2	Very high	96.7	Very high	62 Å²	62	63.3 Å²	63.3	40%	0.403	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-61.8	139.8	174.8	25.9	-34.1	0	0	0	110.8	S470 L500 G501	P468-S470 PolarHBondContact O-N 2.78Å; P468-L500 VanDerWaalsContact CG-C 3.47Å; P468-G501 WeakPolarHBondContact O-CA 3.29Å
469	K	95.6	Very high	96.8	Very high	187 Å²	187	61.5 Å²	61.5	81%	0.813	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-63.8	127.6	177.5	-67.8	-173.8	179	-176.4	0	110.7	N471	K469-N471 PolarHBondContact O-N 3.27Å; K469-N471 PolarHBondContact O-ND2 3.41Å
470	S	96.7	Very high	96.8	Very high	74 Å²	74	61.7 Å²	61.7	52%	0.517	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-56.1	123.9	177.2	-170.7	0	0	0	0	112	P468 G501 N503	P468-S470 PolarHBondContact O-N 2.78Å; S470-G501 CarbonylContact C-O 3.52Å; S470-G501 VanDerWaalsContact CA-O 3.29Å; S470-G501 WeakPolarHBondContact CA-O 3.42Å; S470-N503 WeakPolarHBondContact OG-CB 3.38Å; S470-N503 PolarHBondContact OG-N 3.01Å
471	N	97.7	Very high	96.9	Very high	73 Å²	73	59.3 Å²	59.3	39%	0.39	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-154.4	171.9	178	70.1	79	0	0	0	111.7	K469 L473 G501 N503	K469-N471 PolarHBondContact O-N 3.27Å; K469-N471 PolarHBondContact O-ND2 3.41Å; N471-L473 WeakPolarHBondContact OD1-CA 3.43Å; N471-L473 WeakPolarHBondContact OD1-CD2 3.37Å; N471-L473 PolarHBondContact OD1-N 3.14Å; N471-G501 PolarHBondContact N-O 3.47Å; N471-N503 PolarHBondContact O-N 3.34Å
472	K	98	Very high	97	Very high	66 Å²	66	53.1 Å²	53.1	29%	0.287	27%	0.274	S	S	.	.			trans	-92.9	12.3	-177.4	-67	-173	167.8	-168.4	0	114.6	N474 F475 D476 E477 N503	K472-N474 PolarHBondContact O-N 2.94Å; K472-F475 WeakPolarHBondContact CB-O 3.34Å; K472-F475 WeakPolarHBondContact O-CB 3.45Å; K472-F475 VanDerWaalsContact O-CD2 3.24Å; K472-F475 WeakPolarHBondContact O-CD2 3.33Å; K472-F475 PolarHBondContact O-N 2.88Å; K472-D476 WeakPolarHBondContact CD-O 3.35Å; K472-D476 PolarHBondContact NZ-O 3.43Å; K472-E477 WeakPolarHBondContact CE-OE1 3.24Å; K472-E477 IonicContact NZ-OE1 3.77Å; K472-E477 PolarHBondContact NZ-OE1 3.38Å; K472-E477 IonicContact NZ-OE2 2.76Å; K472-E477 PolarHBondContact NZ-OE2 3.41Å; K472-N503 HydrophobicContact CG-CB 4.25Å
473	L	96.3	Very high	97	Very high	12 Å²	12	52.1 Å²	52.1	6%	0.063	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	36.8	177.1	-55.9	177.4	0	0	0	114.7	N471 F475 I502 V580 L583	N471-L473 WeakPolarHBondContact OD1-CA 3.43Å; N471-L473 WeakPolarHBondContact OD1-CD2 3.37Å; N471-L473 PolarHBondContact OD1-N 3.14Å; L473-F475 HydrophobicContact CB-CD2 3.93Å; L473-F475 HydrophobicContact CB-CE2 4.02Å; L473-F475 PolarHBondContact O-N 2.97Å; L473-I502 HydrophobicContact CD1-CD1 4.18Å; L473-I502 HydrophobicContact CD1-CG1 4.05Å; L473-V580 HydrophobicContact CD1-CG1 4.33Å; L473-V580 HydrophobicContact CD1-CG2 4.42Å; L473-V580 HydrophobicContact CD2-CG1 3.62Å; L473-L583 HydrophobicContact CD1-CD2 3.9Å
474	N	95.3	Very high	97	Very high	158 Å²	158	57.4 Å²	57.4	85%	0.845	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	14.5	-174.6	-51	-42.6	0	0	0	115.9	K472	K472-N474 PolarHBondContact O-N 2.94Å
475	F	98.4	Very high	97	Very high	10 Å²	10	56.9 Å²	56.9	4%	0.044	29%	0.291	C	S	.	.			trans	-83.6	152.1	164.3	-60.1	-75.4	0	0	0	110.7	K472 L473 E477 I478 R565 L567 L583 I587 I633	K472-F475 WeakPolarHBondContact CB-O 3.34Å; K472-F475 WeakPolarHBondContact O-CB 3.45Å; K472-F475 VanDerWaalsContact O-CD2 3.24Å; K472-F475 WeakPolarHBondContact O-CD2 3.33Å; K472-F475 PolarHBondContact O-N 2.88Å; L473-F475 HydrophobicContact CB-CD2 3.93Å; L473-F475 HydrophobicContact CB-CE2 4.02Å; L473-F475 PolarHBondContact O-N 2.97Å; F475-E477 VanDerWaalsContact C-N 3.33Å; F475-I478 HydrophobicContact CB-CG1 3.97Å; F475-I478 HydrophobicContact CD2-CD1 3.86Å; F475-I478 HydrophobicContact CD2-CG1 3.85Å; F475-I478 HydrophobicContact CG-CG1 4.18Å; F475-R565 HydrophobicContact CD1-CB 4.49Å; F475-R565 HydrophobicContact CD1-CG 3.78Å; F475-R565 HydrophobicContact CE1-CG 3.97Å; F475-L567 HydrophobicContact CD1-CB 4.19Å; F475-L567 HydrophobicContact CD2-CB 4.14Å; F475-L567 HydrophobicContact CE1-CB 4.07Å; F475-L567 HydrophobicContact CE2-CB 4.02Å; F475-L567 HydrophobicContact CE2-CD2 4.1Å; F475-L567 HydrophobicContact CG-CB 4.21Å; F475-L567 HydrophobicContact CZ-CB 3.96Å; F475-L567 HydrophobicContact CZ-CD2 4.44Å; F475-L583 HydrophobicContact CE2-CD2 4.07Å; F475-L583 HydrophobicContact CZ-CD2 4.4Å; F475-I587 HydrophobicContact CE1-CD1 4.15Å; F475-I587 HydrophobicContact CE2-CD1 4.12Å; F475-I587 HydrophobicContact CZ-CD1 3.45Å; F475-I587 VanDerWaalsContact CZ-CD1 3.45Å; F475-I633 HydrophobicContact CD1-CG2 4.45Å; F475-I633 HydrophobicContact CE1-CB 4.45Å; F475-I633 HydrophobicContact CE1-CD1 4.03Å; F475-I633 HydrophobicContact CE1-CG1 4.02Å; F475-I633 HydrophobicContact CE1-CG2 3.64Å; F475-I633 HydrophobicContact CZ-CD1 3.87Å; F475-I633 HydrophobicContact CZ-CG1 4.06Å
476	D	98.6	Very high	97	Very high	60 Å²	60	51.7 Å²	51.7	32%	0.321	26%	0.261	S	S	.	.	S	Bend	trans	-68.4	-39.2	171	-62.3	-66.8	0	0	0	110.5	K472 Y563 N564 R565	K472-D476 WeakPolarHBondContact CD-O 3.35Å; K472-D476 PolarHBondContact NZ-O 3.43Å; D476-Y563 HydrophobicContact CB-CD1 3.63Å; D476-Y563 HydrophobicContact CB-CD2 4.44Å; D476-Y563 HydrophobicContact CB-CE1 4.29Å; D476-Y563 HydrophobicContact CB-CG 3.71Å; D476-N564 WeakPolarHBondContact OD2-CA 3.32Å; D476-N564 WeakPolarHBondContact OD2-CB 3.49Å; D476-N564 PolarHBondContact OD2-N 3.48Å; D476-R565 PolarHBondContact N-O 3.37Å; D476-R565 PolarHBondContact OD2-N 3.33Å
477	E	98.6	Very high	97.1	Very high	19 Å²	19	50.8 Å²	50.8	9%	0.089	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	149.2	171.8	-166.6	57.7	-81.5	0	0	111.4	K472 F475 Y479 K505 Y563 I566 L567	K472-E477 WeakPolarHBondContact CE-OE1 3.24Å; K472-E477 IonicContact NZ-OE1 3.77Å; K472-E477 PolarHBondContact NZ-OE1 3.38Å; K472-E477 IonicContact NZ-OE2 2.76Å; K472-E477 PolarHBondContact NZ-OE2 3.41Å; F475-E477 VanDerWaalsContact C-N 3.33Å; E477-Y479 HydrophobicContact CB-CD2 4.44Å; E477-Y479 HydrophobicContact CB-CE2 3.75Å; E477-Y479 HydrophobicContact CG-CD1 4.42Å; E477-Y479 HydrophobicContact CG-CD2 4.1Å; E477-Y479 HydrophobicContact CG-CE1 3.96Å; E477-Y479 HydrophobicContact CG-CE2 3.58Å; E477-Y479 HydrophobicContact CG-CG 4.5Å; E477-K505 HydrophobicContact CG-CB 4.3Å; E477-K505 HydrophobicContact CG-CD 4.48Å; E477-Y563 HydrophobicContact CB-CD2 4.12Å; E477-Y563 HydrophobicContact CB-CE2 3.68Å; E477-Y563 HydrophobicContact CG-CE2 4.37Å; E477-I566 HydrophobicContact CB-CG2 4.29Å; E477-I566 VanDerWaalsContact O-CA 3.28Å; E477-I566 WeakPolarHBondContact O-CA 3.29Å; E477-I566 WeakPolarHBondContact O-CB 3.49Å; E477-L567 PolarHBondContact O-N 2.97Å
478	I	98.8	Very high	97	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.1	169.8	-55.8	177.8	0	0	0	106.8	F475 I502 A504 K505 L567 L569	F475-I478 HydrophobicContact CB-CG1 3.97Å; F475-I478 HydrophobicContact CD2-CD1 3.86Å; F475-I478 HydrophobicContact CD2-CG1 3.85Å; F475-I478 HydrophobicContact CG-CG1 4.18Å; I478-I502 HydrophobicContact CD1-CG2 3.59Å; I478-I502 HydrophobicContact CG2-CG2 4.31Å; I478-A504 HydrophobicContact CB-CB 3.96Å; I478-A504 HydrophobicContact CG2-CB 3.6Å; I478-A504 CarbonylContact O-C 3.1Å; I478-A504 VanDerWaalsContact O-CA 3.3Å; I478-A504 WeakPolarHBondContact O-CA 3.48Å; I478-K505 PolarHBondContact O-N 2.76Å; I478-L567 CarbonylContact C-O 3.49Å; I478-L567 WeakPolarHBondContact CA-O 3.48Å; I478-L567 HydrophobicContact CB-CB 4.45Å; I478-L567 HydrophobicContact CD1-CD2 4.44Å; I478-L567 HydrophobicContact CG1-CB 4.17Å; I478-L567 HydrophobicContact CG2-CB 4.05Å; I478-L567 HydrophobicContact CG2-CD2 3.88Å; I478-L567 HydrophobicContact CG2-CG 4.02Å; I478-L569 HydrophobicContact CG2-CD1 4.39Å
479	Y	98.8	Very high	97	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.1	176.3	-61.1	-90.7	0	0	0	110.2	E477 K505 Y507 I554 E557 Y563 I566 L567 L569	E477-Y479 HydrophobicContact CB-CD2 4.44Å; E477-Y479 HydrophobicContact CB-CE2 3.75Å; E477-Y479 HydrophobicContact CG-CD1 4.42Å; E477-Y479 HydrophobicContact CG-CD2 4.1Å; E477-Y479 HydrophobicContact CG-CE1 3.96Å; E477-Y479 HydrophobicContact CG-CE2 3.58Å; E477-Y479 HydrophobicContact CG-CG 4.5Å; Y479-K505 WeakPolarHBondContact CA-O 3.38Å; Y479-K505 HydrophobicContact CD1-CB 4.29Å; Y479-K505 HydrophobicContact CD1-CD 4.2Å; Y479-K505 HydrophobicContact CD1-CG 4.36Å; Y479-K505 HydrophobicContact CE1-CD 3.78Å; Y479-K505 HydrophobicContact CE1-CG 4.43Å; Y479-Y507 HydrophobicContact CD1-CD2 4.07Å; Y479-Y507 HydrophobicContact CE1-CD2 4.3Å; Y479-I554 HydrophobicContact CD1-CG1 4.43Å; Y479-I554 HydrophobicContact CD2-CG2 3.77Å; Y479-I554 HydrophobicContact CE2-CG2 3.84Å; Y479-I554 HydrophobicContact CG-CD1 4.29Å; Y479-I554 HydrophobicContact CG-CG1 4.48Å; Y479-I554 HydrophobicContact CG-CG2 4.19Å; Y479-E557 VanDerWaalsContact OH-CD 3.29Å; Y479-E557 PolarHBondContact OH-OE1 3.48Å; Y479-E557 VanDerWaalsContact OH-OE1 3.05Å; Y479-Y563 WeakPolarHBondContact OH-CE2 3.41Å; Y479-I566 HydrophobicContact CD2-CD1 4.36Å; Y479-I566 HydrophobicContact CE2-CB 4.34Å; Y479-I566 HydrophobicContact CE2-CD1 4.15Å; Y479-I566 HydrophobicContact CE2-CG2 4.19Å; Y479-L567 PolarHBondContact N-O 3.26Å; Y479-L569 PolarHBondContact O-N 3.12Å
480	F	98.5	Very high	97	Very high	3 Å²	3	45 Å²	45	1%	0.013	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.6	157.1	74.6	-88.5	0	0	0	109.5	N482 R490 M493 E494 L497 A504 K505 H506 Y507 L569	F480-N482 HydrophobicContact CD2-CB 4.26Å; F480-N482 HydrophobicContact CE2-CB 4.16Å; F480-R490 HydrophobicContact CE2-CG 4.1Å; F480-R490 HydrophobicContact CZ-CG 4.31Å; F480-M493 HydrophobicContact CB-CE 4.06Å; F480-M493 HydrophobicContact CB-CG 4.22Å; F480-M493 HydrophobicContact CD2-CB 4.38Å; F480-M493 HydrophobicContact CD2-CG 3.85Å; F480-M493 HydrophobicContact CE2-CG 4.38Å; F480-M493 HydrophobicContact CG-CG 4.03Å; F480-E494 HydrophobicContact CE1-CG 4.41Å; F480-E494 HydrophobicContact CZ-CG 3.81Å; F480-L497 HydrophobicContact CB-CD1 4.5Å; F480-L497 HydrophobicContact CD1-CD1 3.62Å; F480-L497 HydrophobicContact CE1-CD1 3.99Å; F480-L497 HydrophobicContact CG-CD1 4.13Å; F480-A504 HydrophobicContact CD1-CB 3.99Å; F480-K505 PolarHBondContact N-O 3Å; F480-H506 VanDerWaalsContact CE1-CA 3.4Å; F480-H506 HydrophobicContact CE1-CB 3.65Å; F480-H506 HydrophobicContact CE2-CB 4.08Å; F480-H506 AromaticContact CE2-CD2 3.6Å; F480-H506 HydrophobicContact CZ-CB 3.39Å; F480-H506 AromaticContact CZ-CD2 3.84Å; F480-H506 AromaticContact CZ-CG 3.83Å; F480-Y507 PolarHBondContact O-N 3.32Å; F480-L569 CarbonylContact C-O 3.56Å; F480-L569 VanDerWaalsContact CA-O 3.27Å; F480-L569 WeakPolarHBondContact CA-O 3.33Å; F480-L569 HydrophobicContact CB-CB 4.17Å
481	I	98.5	Very high	97	Very high	16 Å²	16	46.5 Å²	46.5	8%	0.082	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	122.3	-175.7	-60.6	175.2	0	0	0	108.1	A509 H551 I554 I568 L569 D571	I481-A509 HydrophobicContact CG2-CB 3.53Å; I481-H551 WeakPolarHBondContact CD1-CE1 3.05Å; I481-I554 HydrophobicContact CD1-CD1 3.64Å; I481-I554 HydrophobicContact CG1-CD1 3.65Å; I481-I568 HydrophobicContact CD1-CG2 3.73Å; I481-I568 HydrophobicContact CG1-CG2 4.25Å; I481-L569 PolarHBondContact N-O 3.41Å; I481-D571 WeakPolarHBondContact O-CB 3.45Å; I481-D571 PolarHBondContact O-N 3.33Å
482	N	98.1	Very high	96.8	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.3	178.6	165.8	-104.5	0	0	0	109.8	F480 R486 R490 H506 Y507 A509 D571	F480-N482 HydrophobicContact CD2-CB 4.26Å; F480-N482 HydrophobicContact CE2-CB 4.16Å; N482-R486 PolarHBondContact ND2-O 2.85Å; N482-R490 WeakPolarHBondContact OD1-CB 3.38Å; N482-H506 PolarHBondContact OD1-NE2 3.02Å; N482-Y507 PolarHBondContact N-O 3.05Å; N482-Y507 VanDerWaalsContact N-O 3.1Å; N482-A509 WeakPolarHBondContact O-CB 3.23Å; N482-A509 PolarHBondContact O-N 3.04Å; N482-D571 HydrophobicContact CB-CB 3.96Å; N482-D571 PolarHBondContact ND2-OD2 3.18Å
483	L	97.5	Very high	96.8	Very high	23 Å²	23	40.3 Å²	40.3	12%	0.12	20%	0.198	C	C	.	.			trans	-72.4	133.2	171	-71.4	161.1	0	0	0	109.8	R485 R486 A509 D511 D703	L483-R485 HydrophobicContact CB-CG 4.22Å; L483-R485 PolarHBondContact O-N 2.73Å; L483-R486 HydrophobicContact CB-CB 4.36Å; L483-R486 HydrophobicContact CB-CG 4.01Å; L483-R486 HydrophobicContact CD1-CG 4.43Å; L483-R486 WeakPolarHBondContact O-CA 3.5Å; L483-R486 WeakPolarHBondContact O-CB 3.31Å; L483-R486 PolarHBondContact O-N 3.16Å; L483-A509 HydrophobicContact CD2-CB 3.91Å; L483-A509 HydrophobicContact CG-CB 4.13Å; L483-D511 HydrophobicContact CD2-CB 3.98Å; L483-D703 HydrophobicContact CD1-CB 3.51Å
484	L	96.4	Very high	96.8	Very high	112 Å²	112	43.8 Å²	43.8	59%	0.586	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.5	-179.6	-71.9	176.8	0	0	0	113.5	R486 A508	L484-R486 PolarHBondContact O-N 2.9Å; L484-A508 HydrophobicContact CD1-CB 4.18Å; L484-A508 HydrophobicContact CD2-CB 3.87Å; L484-A508 HydrophobicContact CG-CB 3.91Å
485	R	95.4	Very high	96.9	Very high	83 Å²	83	37.6 Å²	37.6	31%	0.313	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-4.8	175.8	73	171.7	-166.8	-89	6.9	114.6	L483 P487 D511 D703	L483-R485 HydrophobicContact CB-CG 4.22Å; L483-R485 PolarHBondContact O-N 2.73Å; R485-P487 WeakPolarHBondContact O-CD 3.03Å; R485-D511 IonicContact CZ-OD1 3.19Å; R485-D511 IonicContact CZ-OD2 3.33Å; R485-D511 IonicContact NE-OD2 2.85Å; R485-D511 IonicContact NH1-OD1 2.91Å; R485-D511 PolarHBondContact NH1-OD1 2.95Å; R485-D511 IonicContact NH1-OD2 2.65Å; R485-D511 PolarHBondContact NH1-OD2 3.33Å; R485-D703 IonicContact CZ-OD1 2.71Å; R485-D703 IonicContact NE-OD1 3.74Å; R485-D703 VanDerWaalsContact NH2-CG 3.34Å; R485-D703 IonicContact NH2-OD1 3.84Å; R485-D703 PolarHBondContact NH2-OD1 2.64Å
486	R	95.2	Very high	96.8	Very high	30 Å²	30	37.1 Å²	37.1	11%	0.113	18%	0.177	C	C	.	.			trans	-110.9	62.5	179.4	-62.6	-58.4	-61.7	-109.1	7.9	111.8	N482 L483 L484 D488 R489 R490 D703	N482-R486 PolarHBondContact ND2-O 2.85Å; L483-R486 HydrophobicContact CB-CB 4.36Å; L483-R486 HydrophobicContact CB-CG 4.01Å; L483-R486 HydrophobicContact CD1-CG 4.43Å; L483-R486 WeakPolarHBondContact O-CA 3.5Å; L483-R486 WeakPolarHBondContact O-CB 3.31Å; L483-R486 PolarHBondContact O-N 3.16Å; L484-R486 PolarHBondContact O-N 2.9Å; R486-D488 WeakPolarHBondContact CA-OD1 3.48Å; R486-D488 IonicContact CZ-OD2 3Å; R486-D488 IonicContact NE-OD1 2.78Å; R486-D488 PolarHBondContact NE-OD1 2.98Å; R486-D488 IonicContact NE-OD2 3.18Å; R486-D488 PolarHBondContact NE-OD2 3.02Å; R486-D488 IonicContact NH2-OD2 3.95Å; R486-D488 PolarHBondContact NH2-OD2 2.82Å; R486-D488 PolarHBondContact O-N 3.31Å; R486-R489 HydrophobicContact CB-CB 4.28Å; R486-R489 HydrophobicContact CB-CG 4.3Å; R486-R489 VanDerWaalsContact NH2-NE 3.1Å; R486-R489 PolarHBondContact O-N 2.79Å; R486-R490 PolarHBondContact O-N 2.68Å; R486-R490 VanDerWaalsContact O-N 3.13Å; R486-D703 IonicContact CZ-OD2 2.68Å; R486-D703 IonicContact NE-OD2 2.73Å; R486-D703 IonicContact NH1-OD1 3.72Å; R486-D703 PolarHBondContact NH1-OD1 2.78Å; R486-D703 IonicContact NH1-OD2 3Å; R486-D703 PolarHBondContact NH1-OD2 3.45Å
487	P	96	Very high	96.8	Very high	53 Å²	53	34.6 Å²	34.6	34%	0.344	16%	0.163	S	C	.	.	H	α-helix	trans	-64.8	-24.8	176.5	29.8	-35.6	0	0	0	112.2	R485 R490 Q491	R485-P487 WeakPolarHBondContact O-CD 3.03Å; P487-R490 PolarHBondContact O-N 3Å; P487-Q491 WeakPolarHBondContact O-CB 3.26Å; P487-Q491 VanDerWaalsContact O-CG 3.23Å; P487-Q491 WeakPolarHBondContact O-CG 3.43Å; P487-Q491 PolarHBondContact O-N 2.9Å
488	D	93.7	Very high	96.7	Very high	69 Å²	69	38.1 Å²	38.1	37%	0.369	18%	0.179	S	C	.	.	H	α-helix	trans	-56	-54.7	172.6	59.3	-45.7	0	0	0	111	R486 K492	R486-D488 WeakPolarHBondContact CA-OD1 3.48Å; R486-D488 IonicContact CZ-OD2 3Å; R486-D488 IonicContact NE-OD1 2.78Å; R486-D488 PolarHBondContact NE-OD1 2.98Å; R486-D488 IonicContact NE-OD2 3.18Å; R486-D488 PolarHBondContact NE-OD2 3.02Å; R486-D488 IonicContact NH2-OD2 3.95Å; R486-D488 PolarHBondContact NH2-OD2 2.82Å; R486-D488 PolarHBondContact O-N 3.31Å; D488-K492 PolarHBondContact O-N 2.73Å
489	R	94.7	Very high	96.6	Very high	22 Å²	22	38.6 Å²	38.6	8%	0.083	18%	0.181	C	C	.	.	H	α-helix	trans	-67	-40.3	178.5	-62.3	-174.9	176.2	-158.4	-7.1	111.9	R486 K492 M493 D571 D572 I701 D703	R486-R489 HydrophobicContact CB-CB 4.28Å; R486-R489 HydrophobicContact CB-CG 4.3Å; R486-R489 VanDerWaalsContact NH2-NE 3.1Å; R486-R489 PolarHBondContact O-N 2.79Å; R489-K492 PolarHBondContact O-N 3.05Å; R489-M493 WeakPolarHBondContact O-CB 3.32Å; R489-M493 PolarHBondContact O-N 3.1Å; R489-D571 HydrophobicContact CB-CB 4.05Å; R489-D571 WeakPolarHBondContact CB-OD2 3.36Å; R489-D571 WeakPolarHBondContact CD-OD1 3.44Å; R489-D571 VanDerWaalsContact CD-OD2 3.31Å; R489-D571 WeakPolarHBondContact CD-OD2 3.28Å; R489-D571 IonicContact NH1-OD1 3.22Å; R489-D571 PolarHBondContact NH1-OD1 3.13Å; R489-D572 IonicContact CZ-OD2 3.67Å; R489-D572 VanDerWaalsContact NH1-CG 3.33Å; R489-D572 IonicContact NH1-OD2 2.75Å; R489-D572 PolarHBondContact NH1-OD2 2.8Å; R489-D572 IonicContact NH2-OD2 3.98Å; R489-I701 PolarHBondContact NH2-O 2.92Å; R489-D703 IonicContact CZ-OD2 3.05Å; R489-D703 IonicContact NH1-OD2 2.76Å
490	R	96.3	Very high	96.5	Very high	62 Å²	62	39.4 Å²	39.4	23%	0.234	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-52.3	178.5	-172.1	168.4	67.9	-151.5	-0.5	112	F480 N482 R486 P487 K492 M493 E494	F480-R490 HydrophobicContact CE2-CG 4.1Å; F480-R490 HydrophobicContact CZ-CG 4.31Å; N482-R490 WeakPolarHBondContact OD1-CB 3.38Å; R486-R490 PolarHBondContact O-N 2.68Å; R486-R490 VanDerWaalsContact O-N 3.13Å; P487-R490 PolarHBondContact O-N 3Å; R490-K492 VanDerWaalsContact C-N 3.3Å; R490-K492 PolarHBondContact O-N 2.92Å; R490-M493 PolarHBondContact O-N 2.93Å; R490-E494 HydrophobicContact CG-CG 4.2Å; R490-E494 WeakPolarHBondContact CG-OE1 3.04Å; R490-E494 WeakPolarHBondContact O-CB 3.29Å; R490-E494 VanDerWaalsContact O-CG 3.32Å; R490-E494 WeakPolarHBondContact O-CG 3.39Å; R490-E494 PolarHBondContact O-N 3.17Å
491	Q	95.6	Very high	96.5	Very high	105 Å²	105	39.3 Å²	39.3	49%	0.491	19%	0.186	S	C	.	.	H	α-helix	trans	-62.3	-39.8	-177.4	-72.6	175	27.7	0	0	111.7	P487 Y495	P487-Q491 WeakPolarHBondContact O-CB 3.26Å; P487-Q491 VanDerWaalsContact O-CG 3.23Å; P487-Q491 WeakPolarHBondContact O-CG 3.43Å; P487-Q491 PolarHBondContact O-N 2.9Å; Q491-Y495 WeakPolarHBondContact O-CB 3.41Å; Q491-Y495 PolarHBondContact O-N 2.88Å
492	K	95.4	Very high	96.5	Very high	9 Å²	9	38.9 Å²	38.9	4%	0.039	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-48	175.2	-167.3	-175.1	-60	178.5	0	111.1	I444 I445 E448 D449 D488 R489 R490 Y495 M496 Q692	I444-K492 HydrophobicContact CD1-CG 4.34Å; I444-K492 HydrophobicContact CG1-CG 4.37Å; I444-K492 HydrophobicContact CG2-CG 4.48Å; I445-K492 HydrophobicContact CG1-CD 4.15Å; E448-K492 IonicContact OE2-NZ 3.95Å; D449-K492 WeakPolarHBondContact OD2-CE 3.2Å; D449-K492 IonicContact OD2-NZ 3.68Å; D488-K492 PolarHBondContact O-N 2.73Å; R489-K492 PolarHBondContact O-N 3.05Å; R490-K492 VanDerWaalsContact C-N 3.3Å; R490-K492 PolarHBondContact O-N 2.92Å; K492-Y495 WeakPolarHBondContact O-CB 3.41Å; K492-Y495 PolarHBondContact O-N 3.03Å; K492-M496 HydrophobicContact CG-CE 4.21Å; K492-M496 VanDerWaalsContact O-CG 3.31Å; K492-M496 WeakPolarHBondContact O-CG 3.18Å; K492-M496 PolarHBondContact O-N 3.24Å; K492-Q692 VanDerWaalsContact NZ-OE1 3.1Å
493	M	96.9	Very high	96.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-44.5	179.1	-170.4	56.4	171.8	0	0	112.4	F480 R489 R490 Y495 M496 L497 L569 L573 F575	F480-M493 HydrophobicContact CB-CE 4.06Å; F480-M493 HydrophobicContact CB-CG 4.22Å; F480-M493 HydrophobicContact CD2-CB 4.38Å; F480-M493 HydrophobicContact CD2-CG 3.85Å; F480-M493 HydrophobicContact CE2-CG 4.38Å; F480-M493 HydrophobicContact CG-CG 4.03Å; R489-M493 WeakPolarHBondContact O-CB 3.32Å; R489-M493 PolarHBondContact O-N 3.1Å; R490-M493 PolarHBondContact O-N 2.93Å; M493-Y495 VanDerWaalsContact C-N 3.33Å; M493-Y495 PolarHBondContact O-N 3.13Å; M493-M496 HydrophobicContact CB-CE 4.47Å; M493-M496 PolarHBondContact O-N 3.31Å; M493-M496 HydrophobicContact SD-CE 3.76Å; M493-L497 HydrophobicContact CE-CD1 4.16Å; M493-L497 HydrophobicContact CE-CD2 4.15Å; M493-L497 HydrophobicContact CE-CG 4.17Å; M493-L497 HydrophobicContact CG-CD1 3.89Å; M493-L497 HydrophobicContact CG-CG 4.38Å; M493-L497 WeakPolarHBondContact O-CB 3.4Å; M493-L497 WeakPolarHBondContact O-CD1 3.45Å; M493-L497 VanDerWaalsContact O-CG 3.24Å; M493-L497 WeakPolarHBondContact O-CG 3.5Å; M493-L497 PolarHBondContact O-N 2.96Å; M493-L497 HydrophobicContact SD-CD1 4.4Å; M493-L497 HydrophobicContact SD-CG 4.32Å; M493-L569 HydrophobicContact CE-CB 3.86Å; M493-L569 HydrophobicContact CE-CD1 3.64Å; M493-L569 HydrophobicContact CE-CG 4.36Å; M493-L573 HydrophobicContact CE-CD1 4.19Å; M493-L573 HydrophobicContact CE-CD2 4.24Å; M493-L573 HydrophobicContact CE-CG 4.26Å; M493-L573 HydrophobicContact SD-CD1 4.36Å; M493-F575 HydrophobicContact CE-CE2 4.16Å; M493-F575 HydrophobicContact CE-CZ 3.69Å; M493-F575 HydrophobicContact SD-CE2 3.95Å; M493-F575 HydrophobicContact SD-CZ 4.11Å
494	E	97.2	Very high	96.5	Very high	84 Å²	84	42.2 Å²	42.2	39%	0.393	20%	0.204	S	C	.	.	H	α-helix	trans	-59	-43	174.8	-74.5	172.5	170.4	0	0	111.7	F480 R490 H498	F480-E494 HydrophobicContact CE1-CG 4.41Å; F480-E494 HydrophobicContact CZ-CG 3.81Å; R490-E494 HydrophobicContact CG-CG 4.2Å; R490-E494 WeakPolarHBondContact CG-OE1 3.04Å; R490-E494 WeakPolarHBondContact O-CB 3.29Å; R490-E494 VanDerWaalsContact O-CG 3.32Å; R490-E494 WeakPolarHBondContact O-CG 3.39Å; R490-E494 PolarHBondContact O-N 3.17Å; E494-H498 WeakPolarHBondContact O-CB 3.28Å; E494-H498 PolarHBondContact O-N 2.93Å
495	Y	95.9	Very high	96.6	Very high	29 Å²	29	40.8 Å²	40.8	11%	0.114	19%	0.193	C	C	.	.	H	α-helix	trans	-59.9	-50.8	173	172.1	-96.5	0	0	0	111.2	I444 Q491 K492 M493 L497 H498 Q499	I444-Y495 HydrophobicContact CB-CE1 4.37Å; I444-Y495 HydrophobicContact CD1-CD1 3.57Å; I444-Y495 HydrophobicContact CD1-CE1 3.98Å; I444-Y495 HydrophobicContact CD1-CG 4Å; I444-Y495 HydrophobicContact CG2-CD1 4.04Å; I444-Y495 HydrophobicContact CG2-CE1 3.96Å; Q491-Y495 WeakPolarHBondContact O-CB 3.41Å; Q491-Y495 PolarHBondContact O-N 2.88Å; K492-Y495 WeakPolarHBondContact O-CB 3.41Å; K492-Y495 PolarHBondContact O-N 3.03Å; M493-Y495 VanDerWaalsContact C-N 3.33Å; M493-Y495 PolarHBondContact O-N 3.13Å; Y495-L497 VanDerWaalsContact C-N 3.35Å; Y495-L497 PolarHBondContact O-N 3.33Å; Y495-H498 WeakPolarHBondContact O-CB 3.3Å; Y495-H498 PolarHBondContact O-N 3.45Å; Y495-Q499 HydrophobicContact CD1-CG 4.19Å; Y495-Q499 HydrophobicContact CD2-CG 4.31Å; Y495-Q499 HydrophobicContact CE1-CG 3.77Å; Y495-Q499 HydrophobicContact CE2-CG 3.91Å; Y495-Q499 VanDerWaalsContact CE2-NE2 3.3Å; Y495-Q499 HydrophobicContact CG-CG 4.45Å; Y495-Q499 VanDerWaalsContact O-CG 3.32Å; Y495-Q499 WeakPolarHBondContact O-CG 3.49Å; Y495-Q499 PolarHBondContact O-N 2.94Å
496	M	97.1	Very high	96.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61	-43.1	-178.1	-67.3	-172.1	-70.3	0	0	112.2	L441 I445 K492 M493 Q499 L500 F575	L441-M496 HydrophobicContact CD2-CB 3.96Å; L441-M496 HydrophobicContact CD2-CG 3.93Å; I445-M496 HydrophobicContact CD1-SD 4.17Å; K492-M496 HydrophobicContact CG-CE 4.21Å; K492-M496 VanDerWaalsContact O-CG 3.31Å; K492-M496 WeakPolarHBondContact O-CG 3.18Å; K492-M496 PolarHBondContact O-N 3.24Å; M493-M496 HydrophobicContact CB-CE 4.47Å; M493-M496 PolarHBondContact O-N 3.31Å; M493-M496 HydrophobicContact SD-CE 3.76Å; M496-Q499 PolarHBondContact O-N 3.47Å; M496-L500 WeakPolarHBondContact O-CG 3.24Å; M496-L500 PolarHBondContact O-N 3.31Å; M496-L500 VanDerWaalsContact O-N 3.08Å; M496-F575 HydrophobicContact CB-CD2 4.12Å; M496-F575 HydrophobicContact CB-CE2 3.8Å; M496-F575 HydrophobicContact CE-CE2 4.3Å; M496-F575 HydrophobicContact SD-CD2 4.09Å; M496-F575 HydrophobicContact SD-CE2 4.27Å
497	L	98	Very high	96.9	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-40.8	176.5	-70	165.6	0	0	0	112	F480 M493 Y495 L500 G501 I502 A504 L569 F575	F480-L497 HydrophobicContact CB-CD1 4.5Å; F480-L497 HydrophobicContact CD1-CD1 3.62Å; F480-L497 HydrophobicContact CE1-CD1 3.99Å; F480-L497 HydrophobicContact CG-CD1 4.13Å; M493-L497 HydrophobicContact CE-CD1 4.16Å; M493-L497 HydrophobicContact CE-CD2 4.15Å; M493-L497 HydrophobicContact CE-CG 4.17Å; M493-L497 HydrophobicContact CG-CD1 3.89Å; M493-L497 HydrophobicContact CG-CG 4.38Å; M493-L497 WeakPolarHBondContact O-CB 3.4Å; M493-L497 WeakPolarHBondContact O-CD1 3.45Å; M493-L497 VanDerWaalsContact O-CG 3.24Å; M493-L497 WeakPolarHBondContact O-CG 3.5Å; M493-L497 PolarHBondContact O-N 2.96Å; M493-L497 HydrophobicContact SD-CD1 4.4Å; M493-L497 HydrophobicContact SD-CG 4.32Å; Y495-L497 VanDerWaalsContact C-N 3.35Å; Y495-L497 PolarHBondContact O-N 3.33Å; L497-L500 CarbonylContact O-C 3.5Å; L497-L500 PolarHBondContact O-N 3.49Å; L497-G501 PolarHBondContact O-N 2.91Å; L497-I502 HydrophobicContact CB-CB 4.43Å; L497-I502 HydrophobicContact CD2-CB 3.84Å; L497-I502 HydrophobicContact CD2-CD1 4.2Å; L497-I502 HydrophobicContact CD2-CG2 3.75Å; L497-I502 PolarHBondContact O-N 3.26Å; L497-A504 HydrophobicContact CD1-CB 3.83Å; L497-A504 HydrophobicContact CD2-CB 4.2Å; L497-L569 HydrophobicContact CD2-CD1 4.17Å; L497-F575 HydrophobicContact CD2-CZ 4.07Å
498	H	96.8	Very high	97	Very high	94 Å²	94	39.3 Å²	39.3	44%	0.435	19%	0.193	S	C	.	.	H	α-helix	trans	-60.4	-47.2	174.1	-179.7	-105.5	0	0	0	111.6	E464 L467 E494 Y495 L500 G501	E464-H498 IonicContact OE2-CE1 3.4Å; L467-H498 VanDerWaalsContact CD1-CE1 3.41Å; L467-H498 WeakPolarHBondContact CD1-CE1 3.41Å; E494-H498 WeakPolarHBondContact O-CB 3.28Å; E494-H498 PolarHBondContact O-N 2.93Å; Y495-H498 WeakPolarHBondContact O-CB 3.3Å; Y495-H498 PolarHBondContact O-N 3.45Å; H498-L500 PolarHBondContact O-N 3.26Å; H498-G501 PolarHBondContact O-N 3.07Å
499	Q	96.5	Very high	97.2	Very high	9 Å²	9	36.7 Å²	36.7	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-29	178	-64.7	-43.3	-48.4	0	0	113.2	L441 Y495 M496	L441-Q499 HydrophobicContact CD2-CB 3.7Å; L441-Q499 HydrophobicContact CD2-CG 4.08Å; Y495-Q499 HydrophobicContact CD1-CG 4.19Å; Y495-Q499 HydrophobicContact CD2-CG 4.31Å; Y495-Q499 HydrophobicContact CE1-CG 3.77Å; Y495-Q499 HydrophobicContact CE2-CG 3.91Å; Y495-Q499 VanDerWaalsContact CE2-NE2 3.3Å; Y495-Q499 HydrophobicContact CG-CG 4.45Å; Y495-Q499 VanDerWaalsContact O-CG 3.32Å; Y495-Q499 WeakPolarHBondContact O-CG 3.49Å; Y495-Q499 PolarHBondContact O-N 2.94Å; M496-Q499 PolarHBondContact O-N 3.47Å
500	L	97.6	Very high	97.3	Very high	18 Å²	18	37.9 Å²	37.9	9%	0.094	19%	0.188	C	C	.	.	H	α-helix	trans	-87.5	-7.1	176.3	-69.1	168.9	0	0	0	113.5	V437 L441 P468 M496 L497 H498 I502 F575 F579 V580	V437-L500 HydrophobicContact CG1-CD2 3.99Å; L441-L500 HydrophobicContact CD1-CD1 4.04Å; L441-L500 HydrophobicContact CD1-CD2 4.02Å; L441-L500 HydrophobicContact CD1-CG 4Å; P468-L500 VanDerWaalsContact CG-C 3.47Å; M496-L500 WeakPolarHBondContact O-CG 3.24Å; M496-L500 PolarHBondContact O-N 3.31Å; M496-L500 VanDerWaalsContact O-N 3.08Å; L497-L500 CarbonylContact O-C 3.5Å; L497-L500 PolarHBondContact O-N 3.49Å; H498-L500 PolarHBondContact O-N 3.26Å; L500-I502 VanDerWaalsContact C-N 3.34Å; L500-I502 HydrophobicContact CB-CD1 3.7Å; L500-I502 HydrophobicContact CB-CG1 3.77Å; L500-I502 HydrophobicContact CD1-CD1 4.01Å; L500-I502 HydrophobicContact CG-CD1 4.49Å; L500-F575 HydrophobicContact CD1-CB 4.21Å; L500-F575 HydrophobicContact CD1-CD1 3.75Å; L500-F575 HydrophobicContact CD1-CD2 3.68Å; L500-F575 HydrophobicContact CD1-CE1 3.92Å; L500-F575 HydrophobicContact CD1-CE2 3.85Å; L500-F575 HydrophobicContact CD1-CG 3.61Å; L500-F575 HydrophobicContact CD1-CZ 3.95Å; L500-F579 HydrophobicContact CD1-CD1 4.08Å; L500-F579 HydrophobicContact CD2-CB 4.42Å; L500-V580 HydrophobicContact CB-CG2 4.37Å; L500-V580 HydrophobicContact CD2-CG2 4.39Å
501	G	97.6	Very high	97.2	Very high	1 Å²	1	36 Å²	36	1%	0.01	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	33.4	-177.5	0	0	0	0	0	112.6	P468 S470 N471 L497 H498	P468-G501 WeakPolarHBondContact O-CA 3.29Å; S470-G501 CarbonylContact C-O 3.52Å; S470-G501 VanDerWaalsContact CA-O 3.29Å; S470-G501 WeakPolarHBondContact CA-O 3.42Å; N471-G501 PolarHBondContact N-O 3.47Å; L497-G501 PolarHBondContact O-N 2.91Å; H498-G501 PolarHBondContact O-N 3.07Å
502	I	98.4	Very high	97.1	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.031	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-102.4	119.6	-177.9	-58.3	178.1	0	0	0	109	L473 I478 L497 L500 A504 F579 V580	L473-I502 HydrophobicContact CD1-CD1 4.18Å; L473-I502 HydrophobicContact CD1-CG1 4.05Å; I478-I502 HydrophobicContact CD1-CG2 3.59Å; I478-I502 HydrophobicContact CG2-CG2 4.31Å; L497-I502 HydrophobicContact CB-CB 4.43Å; L497-I502 HydrophobicContact CD2-CB 3.84Å; L497-I502 HydrophobicContact CD2-CD1 4.2Å; L497-I502 HydrophobicContact CD2-CG2 3.75Å; L497-I502 PolarHBondContact O-N 3.26Å; L500-I502 VanDerWaalsContact C-N 3.34Å; L500-I502 HydrophobicContact CB-CD1 3.7Å; L500-I502 HydrophobicContact CB-CG1 3.77Å; L500-I502 HydrophobicContact CD1-CD1 4.01Å; L500-I502 HydrophobicContact CG-CD1 4.49Å; I502-A504 HydrophobicContact CG2-CB 4.29Å; I502-A504 PolarHBondContact O-N 2.83Å; I502-F579 HydrophobicContact CD1-CD1 3.96Å; I502-F579 HydrophobicContact CD1-CE1 3.61Å; I502-V580 HydrophobicContact CD1-CG2 4.25Å; I502-V580 HydrophobicContact CG1-CG2 4.41Å
503	N	98.3	Very high	96.9	Very high	76 Å²	76	36 Å²	36	41%	0.406	18%	0.183	S	C	.	.			trans	-84.8	97.9	169.2	-173.1	3.4	0	0	0	108.7	S470 N471 K472	S470-N503 WeakPolarHBondContact OG-CB 3.38Å; S470-N503 PolarHBondContact OG-N 3.01Å; N471-N503 PolarHBondContact O-N 3.34Å; K472-N503 HydrophobicContact CG-CB 4.25Å
504	A	98.4	Very high	96.7	Very high	19 Å²	19	41.4 Å²	41.4	16%	0.157	21%	0.212	C	C	.	.			trans	-116.2	138.7	175.6	0	0	0	0	0	111.4	I478 F480 L497 I502	I478-A504 HydrophobicContact CB-CB 3.96Å; I478-A504 HydrophobicContact CG2-CB 3.6Å; I478-A504 CarbonylContact O-C 3.1Å; I478-A504 VanDerWaalsContact O-CA 3.3Å; I478-A504 WeakPolarHBondContact O-CA 3.48Å; F480-A504 HydrophobicContact CD1-CB 3.99Å; L497-A504 HydrophobicContact CD1-CB 3.83Å; L497-A504 HydrophobicContact CD2-CB 4.2Å; I502-A504 HydrophobicContact CG2-CB 4.29Å; I502-A504 PolarHBondContact O-N 2.83Å
505	K	98.3	Very high	96.5	Very high	81 Å²	81	38.3 Å²	38.3	35%	0.352	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	123	173.2	179.7	175.6	169.9	-175	0	109.7	E477 I478 Y479 F480 Y507 E557	E477-K505 HydrophobicContact CG-CB 4.3Å; E477-K505 HydrophobicContact CG-CD 4.48Å; I478-K505 PolarHBondContact O-N 2.76Å; Y479-K505 WeakPolarHBondContact CA-O 3.38Å; Y479-K505 HydrophobicContact CD1-CB 4.29Å; Y479-K505 HydrophobicContact CD1-CD 4.2Å; Y479-K505 HydrophobicContact CD1-CG 4.36Å; Y479-K505 HydrophobicContact CE1-CD 3.78Å; Y479-K505 HydrophobicContact CE1-CG 4.43Å; F480-K505 PolarHBondContact N-O 3Å; K505-Y507 PolarHBondContact O-N 3.35Å; K505-E557 IonicContact NZ-OE1 3.25Å; K505-E557 PolarHBondContact NZ-OE1 3.08Å; K505-E557 IonicContact NZ-OE2 2.73Å
506	H	98.3	Very high	96.2	Very high	55 Å²	55	40.2 Å²	40.2	26%	0.255	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	120.5	166.3	172.5	-135.6	0	0	0	109.6	F480 N482	F480-H506 VanDerWaalsContact CE1-CA 3.4Å; F480-H506 HydrophobicContact CE1-CB 3.65Å; F480-H506 HydrophobicContact CE2-CB 4.08Å; F480-H506 AromaticContact CE2-CD2 3.6Å; F480-H506 HydrophobicContact CZ-CB 3.39Å; F480-H506 AromaticContact CZ-CD2 3.84Å; F480-H506 AromaticContact CZ-CG 3.83Å; N482-H506 PolarHBondContact OD1-NE2 3.02Å
507	Y	98.4	Very high	95.7	Very high	34 Å²	34	45 Å²	45	13%	0.133	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.5	170.9	-166.8	-86.4	0	0	0	109.4	Y479 F480 N482 K505 A509 N553 I554	Y479-Y507 HydrophobicContact CD1-CD2 4.07Å; Y479-Y507 HydrophobicContact CE1-CD2 4.3Å; F480-Y507 PolarHBondContact O-N 3.32Å; N482-Y507 PolarHBondContact N-O 3.05Å; N482-Y507 VanDerWaalsContact N-O 3.1Å; K505-Y507 PolarHBondContact O-N 3.35Å; Y507-A509 PolarHBondContact O-N 2.85Å; Y507-N553 WeakPolarHBondContact OH-CB 3.31Å; Y507-I554 HydrophobicContact CD1-CD1 4.01Å; Y507-I554 HydrophobicContact CD1-CG1 4.18Å; Y507-I554 HydrophobicContact CD2-CD1 4.03Å; Y507-I554 HydrophobicContact CD2-CG1 3.6Å; Y507-I554 HydrophobicContact CE1-CD1 4.44Å; Y507-I554 HydrophobicContact CE1-CG1 4.22Å; Y507-I554 HydrophobicContact CE2-CD1 4.45Å; Y507-I554 HydrophobicContact CE2-CG1 3.64Å; Y507-I554 HydrophobicContact CG-CD1 3.8Å; Y507-I554 HydrophobicContact CG-CG1 3.89Å
508	A	98	Very high	95.3	Very high	46 Å²	46	50.9 Å²	50.9	38%	0.38	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	104.5	174.8	0	0	0	0	0	109.3	L484	L484-A508 HydrophobicContact CD1-CB 4.18Å; L484-A508 HydrophobicContact CD2-CB 3.87Å; L484-A508 HydrophobicContact CG-CB 3.91Å
509	A	97.4	Very high	95	Very high	15 Å²	15	50 Å²	50	12%	0.124	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-63.1	147.3	-178.5	0	0	0	0	0	111.1	I481 N482 L483 Y507 D511	I481-A509 HydrophobicContact CG2-CB 3.53Å; N482-A509 WeakPolarHBondContact O-CB 3.23Å; N482-A509 PolarHBondContact O-N 3.04Å; L483-A509 HydrophobicContact CD2-CB 3.91Å; L483-A509 HydrophobicContact CG-CB 4.13Å; Y507-A509 PolarHBondContact O-N 2.85Å; A509-D511 PolarHBondContact O-N 2.72Å
510	I	96.5	Very high	94.7	Very high	46 Å²	46	49.8 Å²	49.8	24%	0.236	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-69.8	117.6	169.7	-69.1	170.8	0	0	0	108.1	G512 L515 G546 L549 S550 N553	I510-G512 PolarHBondContact O-N 2.97Å; I510-L515 HydrophobicContact CG2-CD2 3.76Å; I510-L515 HydrophobicContact CG2-CG 4.17Å; I510-G546 CarbonylContact O-C 3.56Å; I510-G546 WeakPolarHBondContact O-CA 3.19Å; I510-L549 HydrophobicContact CB-CB 4.49Å; I510-L549 HydrophobicContact CD1-CB 3.48Å; I510-L549 VanDerWaalsContact CD1-CB 3.48Å; I510-L549 HydrophobicContact CD1-CD1 4.36Å; I510-L549 HydrophobicContact CG2-CD1 4.39Å; I510-S550 PolarHBondContact N-OG 3.24Å; I510-N553 VanDerWaalsContact CD1-ND2 3.27Å; I510-N553 WeakPolarHBondContact CD1-ND2 3.41Å
511	D	95.5	Very high	94.2	Very high	22 Å²	22	54.8 Å²	54.8	12%	0.118	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-74.4	119.2	174.9	-166.4	-17.7	0	0	0	110.1	L483 R485 A509 K513 D514	L483-D511 HydrophobicContact CD2-CB 3.98Å; R485-D511 IonicContact CZ-OD1 3.19Å; R485-D511 IonicContact CZ-OD2 3.33Å; R485-D511 IonicContact NE-OD2 2.85Å; R485-D511 IonicContact NH1-OD1 2.91Å; R485-D511 PolarHBondContact NH1-OD1 2.95Å; R485-D511 IonicContact NH1-OD2 2.65Å; R485-D511 PolarHBondContact NH1-OD2 3.33Å; A509-D511 PolarHBondContact O-N 2.72Å; D511-K513 PolarHBondContact O-N 3.2Å; D511-K513 WeakPolarHBondContact OD1-CB 3.05Å; D511-K513 PolarHBondContact OD1-N 3.43Å; D511-D514 HydrophobicContact CB-CB 4.16Å; D511-D514 WeakPolarHBondContact CB-OD2 3.22Å; D511-D514 PolarHBondContact O-N 3.19Å
512	G	92.8	Very high	93.9	Very high	5 Å²	5	60.3 Å²	60.3	5%	0.052	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-55.5	-31.5	173	0	0	0	0	0	112.9	I510 D514 L515 F542	I510-G512 PolarHBondContact O-N 2.97Å; G512-D514 PolarHBondContact O-N 2.84Å; G512-L515 WeakPolarHBondContact O-CB 3.21Å; G512-L515 PolarHBondContact O-N 3.22Å; G512-F542 VanDerWaalsContact CA-O 3.24Å; G512-F542 WeakPolarHBondContact CA-O 3.39Å; G512-F542 WeakPolarHBondContact O-CB 3.21Å
513	K	91.6	Very high	93.6	Very high	110 Å²	110	63.8 Å²	63.8	48%	0.478	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-69.5	-19.8	179.1	-59.4	-175	-179.3	-174.8	0	112.7	D511 D706	D511-K513 PolarHBondContact O-N 3.2Å; D511-K513 WeakPolarHBondContact OD1-CB 3.05Å; D511-K513 PolarHBondContact OD1-N 3.43Å; K513-D706 WeakPolarHBondContact CE-O 3.5Å; K513-D706 PolarHBondContact NZ-O 2.59Å; K513-D706 IonicContact NZ-OD2 2.67Å; K513-D706 PolarHBondContact NZ-OD2 2.98Å
514	D	92.6	Very high	93.3	Very high	113 Å²	113	65.1 Å²	65.1	60%	0.604	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-95.9	-6	179	-65.1	-23.7	0	0	0	113	D511 G512	D511-D514 HydrophobicContact CB-CB 4.16Å; D511-D514 WeakPolarHBondContact CB-OD2 3.22Å; D511-D514 PolarHBondContact O-N 3.19Å; G512-D514 PolarHBondContact O-N 2.84Å
515	L	92.2	Very high	93	Very high	19 Å²	19	64.7 Å²	64.7	10%	0.099	33%	0.326	C	S	.	.			trans	-70.6	135.4	178.1	-70	177.4	0	0	0	110.8	I510 G512 H519 F520 F542 I545 L549	I510-L515 HydrophobicContact CG2-CD2 3.76Å; I510-L515 HydrophobicContact CG2-CG 4.17Å; G512-L515 WeakPolarHBondContact O-CB 3.21Å; G512-L515 PolarHBondContact O-N 3.22Å; L515-H519 HydrophobicContact CD2-CB 4.34Å; L515-F520 HydrophobicContact CB-CE2 4.19Å; L515-F542 HydrophobicContact CB-CD1 3.9Å; L515-F542 HydrophobicContact CB-CE1 4.41Å; L515-F542 HydrophobicContact CD1-CD1 4.37Å; L515-I545 HydrophobicContact CD1-CB 4.02Å; L515-I545 HydrophobicContact CD1-CG2 3.67Å; L515-L549 HydrophobicContact CD1-CD1 4.27Å; L515-L549 HydrophobicContact CD2-CD1 3.97Å
516	T	90.1	Very high	92.7	Very high	69 Å²	69	67.5 Å²	67.5	42%	0.423	34%	0.338	S	S	.	.			trans	-130.6	157.2	179.9	66.9	0	0	0	0	109.4	K518 H519 F520	T516-K518 PolarHBondContact O-N 2.93Å; T516-H519 PolarHBondContact N-ND1 2.99Å; T516-H519 VanDerWaalsContact N-ND1 3.19Å; T516-H519 VanDerWaalsContact O-CB 3.32Å; T516-H519 WeakPolarHBondContact O-CB 3.46Å; T516-H519 PolarHBondContact O-N 3.3Å; T516-H519 PolarHBondContact OG1-ND1 3.02Å; T516-F520 WeakPolarHBondContact O-CD2 3.27Å; T516-F520 PolarHBondContact O-N 3.1Å
517	M	87.3	Confident	92.4	Very high	101 Å²	101	66 Å²	66	50%	0.498	33%	0.331	S	S	.	.	H	α-helix	trans	-53.4	-29.7	179.4	-67.4	-56.6	-68.7	0	0	113.7	H519 F520 D521 F710	M517-H519 VanDerWaalsContact C-N 3.29Å; M517-H519 PolarHBondContact O-N 3.24Å; M517-F520 WeakPolarHBondContact O-CA 3.36Å; M517-F520 WeakPolarHBondContact O-CB 3.39Å; M517-F520 PolarHBondContact O-N 3.34Å; M517-F520 HydrophobicContact SD-CD2 4.43Å; M517-D521 PolarHBondContact O-N 3.28Å; M517-F710 HydrophobicContact SD-CE2 4.24Å
518	K	89.1	Confident	92	Very high	130 Å²	130	64.5 Å²	64.5	57%	0.565	33%	0.325	S	S	*	.	H	α-helix	trans	-56	-42.8	172.6	-171.8	179.6	-174.5	-88.2	0	112.3	T516 F520 D521 E522	T516-K518 PolarHBondContact O-N 2.93Å; K518-F520 VanDerWaalsContact C-N 3.3Å; K518-F520 PolarHBondContact O-N 2.97Å; K518-D521 PolarHBondContact O-N 3.05Å; K518-E522 VanDerWaalsContact CE-OE1 3.25Å; K518-E522 WeakPolarHBondContact CE-OE1 3.48Å; K518-E522 HydrophobicContact CG-CG 4.43Å; K518-E522 WeakPolarHBondContact CG-OE1 3.34Å; K518-E522 IonicContact NZ-OE1 2.64Å; K518-E522 PolarHBondContact NZ-OE1 3.11Å; K518-E522 IonicContact NZ-OE2 3.86Å; K518-E522 WeakPolarHBondContact O-CB 3.23Å; K518-E522 VanDerWaalsContact O-CG 3.25Å; K518-E522 WeakPolarHBondContact O-CG 3.16Å; K518-E522 PolarHBondContact O-N 3.16Å
519	H	90.1	Very high	91.4	Very high	74 Å²	74	67.8 Å²	67.8	34%	0.343	34%	0.343	S	S	.	.	H	α-helix	trans	-64.5	-36.8	176.3	-62.5	102.2	0	0	0	111.8	L515 T516 M517 L523	L515-H519 HydrophobicContact CD2-CB 4.34Å; T516-H519 PolarHBondContact N-ND1 2.99Å; T516-H519 VanDerWaalsContact N-ND1 3.19Å; T516-H519 VanDerWaalsContact O-CB 3.32Å; T516-H519 WeakPolarHBondContact O-CB 3.46Å; T516-H519 PolarHBondContact O-N 3.3Å; T516-H519 PolarHBondContact OG1-ND1 3.02Å; M517-H519 VanDerWaalsContact C-N 3.29Å; M517-H519 PolarHBondContact O-N 3.24Å; H519-L523 WeakPolarHBondContact O-CB 3.36Å; H519-L523 WeakPolarHBondContact O-CG 3.22Å; H519-L523 PolarHBondContact O-N 2.98Å
520	F	89.5	Confident	90.7	Very high	6 Å²	6	69.8 Å²	69.8	3%	0.026	37%	0.365	C	S	.	.	H	α-helix	trans	-66.5	-43.2	177.3	-71.9	-105	0	0	0	111.3	L515 T516 M517 K518 E524 I525 F542 I545 F710	L515-F520 HydrophobicContact CB-CE2 4.19Å; T516-F520 WeakPolarHBondContact O-CD2 3.27Å; T516-F520 PolarHBondContact O-N 3.1Å; M517-F520 WeakPolarHBondContact O-CA 3.36Å; M517-F520 WeakPolarHBondContact O-CB 3.39Å; M517-F520 PolarHBondContact O-N 3.34Å; M517-F520 HydrophobicContact SD-CD2 4.43Å; K518-F520 VanDerWaalsContact C-N 3.3Å; K518-F520 PolarHBondContact O-N 2.97Å; F520-E524 CarbonylContact O-C 3.32Å; F520-E524 VanDerWaalsContact O-CA 3.28Å; F520-E524 WeakPolarHBondContact O-CA 3.28Å; F520-E524 PolarHBondContact O-N 2.88Å; F520-I525 HydrophobicContact CB-CB 4.35Å; F520-I525 HydrophobicContact CD1-CB 3.71Å; F520-I525 HydrophobicContact CD1-CD1 4.49Å; F520-I525 HydrophobicContact CD1-CG2 3.64Å; F520-I525 HydrophobicContact CE1-CB 4.39Å; F520-I525 HydrophobicContact CE1-CG2 3.87Å; F520-I525 HydrophobicContact CG-CB 4.28Å; F520-I525 PolarHBondContact O-N 3.07Å; F520-F542 HydrophobicContact CE2-CD1 4.16Å; F520-F542 AromaticContact CE2-CE1 3.65Å; F520-F542 HydrophobicContact CE2-CE1 3.65Å; F520-F542 AromaticContact CZ-CD1 3.96Å; F520-F542 HydrophobicContact CZ-CD1 3.96Å; F520-F542 AromaticContact CZ-CE1 3.64Å; F520-F542 HydrophobicContact CZ-CE1 3.64Å; F520-I545 HydrophobicContact CE1-CD1 3.78Å; F520-I545 HydrophobicContact CZ-CD1 3.76Å; F520-I545 HydrophobicContact CZ-CG2 4.35Å; F520-F710 HydrophobicContact CD1-CE1 4.4Å; F520-F710 AromaticContact CD1-CE2 3.69Å; F520-F710 HydrophobicContact CD1-CE2 3.69Å; F520-F710 AromaticContact CD1-CZ 3.6Å; F520-F710 HydrophobicContact CD1-CZ 3.6Å; F520-F710 HydrophobicContact CE1-CD1 4.32Å; F520-F710 AromaticContact CE1-CD2 3.7Å; F520-F710 HydrophobicContact CE1-CD2 3.7Å; F520-F710 AromaticContact CE1-CE1 3.92Å; F520-F710 HydrophobicContact CE1-CE1 3.92Å; F520-F710 AromaticContact CE1-CE2 3.25Å; F520-F710 HydrophobicContact CE1-CE2 3.25Å; F520-F710 HydrophobicContact CE1-CG 4.21Å; F520-F710 AromaticContact CE1-CZ 3.38Å; F520-F710 HydrophobicContact CE1-CZ 3.38Å; F520-F710 HydrophobicContact CE2-CE2 4.33Å; F520-F710 HydrophobicContact CG-CE2 4.38Å; F520-F710 AromaticContact CZ-CD2 3.72Å; F520-F710 HydrophobicContact CZ-CD2 3.72Å; F520-F710 AromaticContact CZ-CE2 3.63Å; F520-F710 HydrophobicContact CZ-CE2 3.63Å; F520-F710 HydrophobicContact CZ-CG 4.39Å; F520-F710 HydrophobicContact CZ-CZ 4.22Å
521	D	89	Confident	90.1	Very high	122 Å²	122	67.9 Å²	67.9	65%	0.652	36%	0.355	S	S	*	.	H	α-helix	trans	-65.8	-46	177.2	-67.1	-28.3	0	0	0	111.3	M517 K518 L523 E524	M517-D521 PolarHBondContact O-N 3.28Å; K518-D521 PolarHBondContact O-N 3.05Å; D521-L523 PolarHBondContact O-N 2.64Å; D521-E524 PolarHBondContact O-N 2.8Å
522	E	91.1	Very high	89.4	Confident	118 Å²	118	68.8 Å²	68.8	55%	0.551	36%	0.361	S	S	*	.	H	α-helix	trans	-65.2	-38.8	-178.2	-75.9	174.7	175.4	0	0	113.3	K518	K518-E522 VanDerWaalsContact CE-OE1 3.25Å; K518-E522 WeakPolarHBondContact CE-OE1 3.48Å; K518-E522 HydrophobicContact CG-CG 4.43Å; K518-E522 WeakPolarHBondContact CG-OE1 3.34Å; K518-E522 IonicContact NZ-OE1 2.64Å; K518-E522 PolarHBondContact NZ-OE1 3.11Å; K518-E522 IonicContact NZ-OE2 3.86Å; K518-E522 WeakPolarHBondContact O-CB 3.23Å; K518-E522 VanDerWaalsContact O-CG 3.25Å; K518-E522 WeakPolarHBondContact O-CG 3.16Å; K518-E522 PolarHBondContact O-N 3.16Å
523	L	91.1	Very high	88.7	Confident	78 Å²	78	69.1 Å²	69.1	41%	0.408	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	1.7	180	-63.9	175	0	0	0	113.1	H519 D521 I525 L549 L648	H519-L523 WeakPolarHBondContact O-CB 3.36Å; H519-L523 WeakPolarHBondContact O-CG 3.22Å; H519-L523 PolarHBondContact O-N 2.98Å; D521-L523 PolarHBondContact O-N 2.64Å; L523-I525 HydrophobicContact CB-CD1 3.91Å; L523-I525 HydrophobicContact CB-CG1 3.74Å; L523-I525 HydrophobicContact CD1-CD1 4.01Å; L523-I525 PolarHBondContact O-N 2.91Å; L523-L549 HydrophobicContact CD1-CD2 4.31Å; L523-L648 HydrophobicContact CB-CD1 4.36Å
524	E	92.7	Very high	87.8	Confident	105 Å²	105	66.7 Å²	66.7	49%	0.491	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	41.8	-174.1	-58.2	-177.7	171.1	0	0	113	F520 D521 K526 K649	F520-E524 CarbonylContact O-C 3.32Å; F520-E524 VanDerWaalsContact O-CA 3.28Å; F520-E524 WeakPolarHBondContact O-CA 3.28Å; F520-E524 PolarHBondContact O-N 2.88Å; D521-E524 PolarHBondContact O-N 2.8Å; E524-K526 PolarHBondContact O-N 2.74Å; E524-K649 WeakPolarHBondContact OE2-CE 3.42Å; E524-K649 IonicContact OE2-NZ 2.59Å; E524-K649 PolarHBondContact OE2-NZ 2.98Å
525	I	92.4	Very high	86.8	Confident	10 Å²	10	67.3 Å²	67.3	5%	0.051	35%	0.352	C	S	.	.			trans	-72.1	121.7	-177.9	-62.4	168.3	0	0	0	109.4	F520 L523 L549 L648 L651	F520-I525 HydrophobicContact CB-CB 4.35Å; F520-I525 HydrophobicContact CD1-CB 3.71Å; F520-I525 HydrophobicContact CD1-CD1 4.49Å; F520-I525 HydrophobicContact CD1-CG2 3.64Å; F520-I525 HydrophobicContact CE1-CB 4.39Å; F520-I525 HydrophobicContact CE1-CG2 3.87Å; F520-I525 HydrophobicContact CG-CB 4.28Å; F520-I525 PolarHBondContact O-N 3.07Å; L523-I525 HydrophobicContact CB-CD1 3.91Å; L523-I525 HydrophobicContact CB-CG1 3.74Å; L523-I525 HydrophobicContact CD1-CD1 4.01Å; L523-I525 PolarHBondContact O-N 2.91Å; I525-L549 HydrophobicContact CD1-CD1 3.93Å; I525-L549 HydrophobicContact CD1-CD2 3.94Å; I525-L549 HydrophobicContact CD1-CG 4.46Å; I525-L648 CarbonylContact C-O 3.58Å; I525-L648 VanDerWaalsContact CA-O 3.3Å; I525-L648 WeakPolarHBondContact CA-O 3.49Å; I525-L648 HydrophobicContact CG1-CB 4.42Å; I525-L651 HydrophobicContact CG2-CD2 3.74Å
526	K	91.8	Very high	85.9	Confident	139 Å²	139	71.8 Å²	71.8	60%	0.604	37%	0.372	S	S	*	.			trans	-135.7	127.7	173.8	-63.7	-174.9	-179.1	-174.1	0	109.2	E524 L648 K649 K650 L651	E524-K526 PolarHBondContact O-N 2.74Å; K526-L648 PolarHBondContact N-O 3.49Å; K526-K649 CarbonylContact O-C 3.56Å; K526-K649 VanDerWaalsContact O-C 3.32Å; K526-K650 CarbonylContact O-C 3.51Å; K526-K650 WeakPolarHBondContact O-CA 3.49Å; K526-K650 PolarHBondContact O-N 3.38Å; K526-L651 PolarHBondContact O-N 2.75Å
527	Q	90.8	Very high	85.4	Confident	23 Å²	23	74.4 Å²	74.4	11%	0.107	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-62.6	144.1	171.1	-176.4	169.7	-63.4	0	0	110.2	P529 Y531 S539 L540 L651 T712	Q527-P529 WeakPolarHBondContact O-CD 3.31Å; Q527-Y531 HydrophobicContact CG-CD1 4.1Å; Q527-Y531 HydrophobicContact CG-CG 4.29Å; Q527-S539 VanDerWaalsContact CD-OG 3.29Å; Q527-S539 PolarHBondContact NE2-OG 3.41Å; Q527-S539 PolarHBondContact OE1-OG 3.2Å; Q527-L540 HydrophobicContact CG-CD1 4.07Å; Q527-L540 HydrophobicContact CG-CG 4.43Å; Q527-L540 VanDerWaalsContact OE1-CB 3.31Å; Q527-L651 WeakPolarHBondContact CA-O 3.44Å; Q527-T712 HydrophobicContact CB-CG2 4.04Å
528	L	91.5	Very high	85.2	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.016	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-58.4	126.6	173.9	179.5	69.8	0	0	0	110	G530 Y531 K650 L651 I652 W670 Q673 F674	L528-G530 PolarHBondContact O-N 2.83Å; L528-Y531 WeakPolarHBondContact O-CB 3.33Å; L528-Y531 PolarHBondContact O-N 2.71Å; L528-K650 HydrophobicContact CB-CB 4.38Å; L528-K650 HydrophobicContact CD1-CB 3.78Å; L528-L651 PolarHBondContact N-O 2.65Å; L528-I652 HydrophobicContact CB-CG2 3.6Å; L528-I652 HydrophobicContact CD2-CG2 3.85Å; L528-I652 HydrophobicContact CG-CG2 4.38Å; L528-W670 HydrophobicContact CD2-CB 4.14Å; L528-W670 HydrophobicContact CD2-CG 3.91Å; L528-Q673 HydrophobicContact CD1-CB 3.81Å; L528-Q673 HydrophobicContact CD1-CG 3.6Å; L528-Q673 HydrophobicContact CD2-CG 4.32Å; L528-F674 HydrophobicContact CD2-CE2 4.42Å
529	P	85	Confident	85.1	Confident	115 Å²	115	65.6 Å²	65.6	75%	0.747	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	127.7	176.9	-26.7	35.5	0	0	0	111.7	Q527 Y531	Q527-P529 WeakPolarHBondContact O-CD 3.31Å; P529-Y531 VanDerWaalsContact C-N 3.31Å
530	G	82.5	Confident	85.1	Confident	57 Å²	57	62.1 Å²	62.1	59%	0.588	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	7	-177.4	0	0	0	0	0	115.1	L528 T532	L528-G530 PolarHBondContact O-N 2.83Å; G530-T532 PolarHBondContact O-N 3.24Å
531	Y	83.8	Confident	85.2	Confident	6 Å²	6	63.3 Å²	63.3	2%	0.024	33%	0.334	C	S	.	.			trans	-62.2	129.8	167.1	177	-96.3	0	0	0	110.4	Q527 L528 P529 L540 I652 W670	Q527-Y531 HydrophobicContact CG-CD1 4.1Å; Q527-Y531 HydrophobicContact CG-CG 4.29Å; L528-Y531 WeakPolarHBondContact O-CB 3.33Å; L528-Y531 PolarHBondContact O-N 2.71Å; P529-Y531 VanDerWaalsContact C-N 3.31Å; Y531-L540 HydrophobicContact CD1-CD2 4.29Å; Y531-L540 HydrophobicContact CD1-CG 3.94Å; Y531-L540 HydrophobicContact CE1-CB 4.48Å; Y531-L540 HydrophobicContact CE1-CD2 3.42Å; Y531-L540 VanDerWaalsContact CE1-CD2 3.42Å; Y531-L540 HydrophobicContact CE1-CG 3.51Å; Y531-L540 WeakPolarHBondContact OH-CD2 3.38Å; Y531-I652 HydrophobicContact CD2-CB 3.72Å; Y531-I652 HydrophobicContact CD2-CG2 3.3Å; Y531-I652 HydrophobicContact CE2-CB 3.66Å; Y531-I652 HydrophobicContact CE2-CG2 3.83Å; Y531-I652 HydrophobicContact CG-CG2 3.97Å; Y531-W670 AromaticContact CD2-CH2 3.58Å; Y531-W670 HydrophobicContact CD2-CH2 3.58Å; Y531-W670 AromaticContact CD2-CZ2 3.55Å; Y531-W670 HydrophobicContact CD2-CZ2 3.55Å; Y531-W670 HydrophobicContact CD2-CZ3 4.08Å; Y531-W670 AromaticContact CE2-CH2 3.52Å; Y531-W670 HydrophobicContact CE2-CH2 3.52Å; Y531-W670 AromaticContact CE2-CZ2 4Å; Y531-W670 HydrophobicContact CE2-CZ2 4Å; Y531-W670 AromaticContact CE2-CZ3 3.91Å; Y531-W670 HydrophobicContact CE2-CZ3 3.91Å; Y531-W670 HydrophobicContact CG-CZ2 4.39Å
532	T	80.9	Confident	85.3	Confident	42 Å²	42	59.2 Å²	59.2	26%	0.258	31%	0.31	S	S	.	.			trans	-139	130.5	167.2	52.9	0	0	0	0	107.5	G530 R538 W670	G530-T532 PolarHBondContact O-N 3.24Å; T532-R538 CarbonylContact C-O 3.6Å; T532-R538 WeakPolarHBondContact CA-O 3.22Å; T532-W670 WeakPolarHBondContact O-CH2 3.28Å; T532-W670 WeakPolarHBondContact O-CZ2 3.49Å
533	D	76.9	Confident	85.4	Confident	11 Å²	11	54 Å²	54	6%	0.059	29%	0.288	C	S	.	.			trans	-52	124.7	171.8	169.4	57.6	0	0	0	109.3	Y535 H536 N537 R538	D533-Y535 PolarHBondContact O-N 3.3Å; D533-Y535 VanDerWaalsContact O-N 3.14Å; D533-Y535 PolarHBondContact OD2-N 3.27Å; D533-H536 VanDerWaalsContact OD2-CB 3.28Å; D533-H536 WeakPolarHBondContact OD2-CB 3.39Å; D533-H536 IonicContact OD2-CE1 3.95Å; D533-H536 IonicContact OD2-CG 3.52Å; D533-H536 PolarHBondContact OD2-N 2.84Å; D533-H536 IonicContact OD2-ND1 3.64Å; D533-H536 PolarHBondContact OD2-ND1 2.77Å; D533-N537 VanDerWaalsContact O-CA 3.22Å; D533-N537 WeakPolarHBondContact O-CA 3.41Å; D533-N537 PolarHBondContact O-N 3.33Å; D533-R538 HydrophobicContact CB-CG 3.99Å; D533-R538 PolarHBondContact N-O 2.84Å
534	P	74.4	Confident	85.6	Confident	60 Å²	60	51.2 Å²	51.2	39%	0.39	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22	-172.4	-28.2	38.7	0	0	0	115.1	E656 W670	P534-E656 WeakPolarHBondContact CD-OE1 3.23Å; P534-E656 VanDerWaalsContact CG-OE1 3.24Å; P534-E656 WeakPolarHBondContact CG-OE1 3.35Å; P534-W670 HydrophobicContact CG-CH2 4.08Å
535	Y	70	Confident	85.7	Confident	126 Å²	126	46.3 Å²	46.3	49%	0.494	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-44.5	-176	-70.6	-72.4	0	0	0	113.3	D533 M607 Y627	D533-Y535 PolarHBondContact O-N 3.3Å; D533-Y535 VanDerWaalsContact O-N 3.14Å; D533-Y535 PolarHBondContact OD2-N 3.27Å; Y535-M607 WeakPolarHBondContact OH-CE 3.33Å; Y535-Y627 HydrophobicContact CE2-CD2 4.23Å; Y535-Y627 HydrophobicContact CE2-CE1 4.13Å; Y535-Y627 AromaticContact CE2-CE2 3.48Å; Y535-Y627 HydrophobicContact CE2-CE2 3.48Å; Y535-Y627 VanDerWaalsContact CE2-CE2 3.48Å; Y535-Y627 AromaticContact CE2-CZ 3.42Å; Y535-Y627 VanDerWaalsContact CE2-CZ 3.42Å; Y535-Y627 WeakPolarHBondContact CE2-OH 3.16Å; Y535-Y627 AromaticContact CZ-CE2 3.79Å; Y535-Y627 VanDerWaalsContact OH-CE2 3.29Å; Y535-Y627 WeakPolarHBondContact OH-CE2 3.37Å
536	H	73.9	Confident	85.9	Confident	112 Å²	112	45.8 Å²	45.8	52%	0.519	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-5.8	-174.1	-51.8	94.2	0	0	0	112.8	D533 R538	D533-H536 VanDerWaalsContact OD2-CB 3.28Å; D533-H536 WeakPolarHBondContact OD2-CB 3.39Å; D533-H536 IonicContact OD2-CE1 3.95Å; D533-H536 IonicContact OD2-CG 3.52Å; D533-H536 PolarHBondContact OD2-N 2.84Å; D533-H536 IonicContact OD2-ND1 3.64Å; D533-H536 PolarHBondContact OD2-ND1 2.77Å; H536-R538 HydrophobicContact CB-CG 3.89Å; H536-R538 PolarHBondContact O-N 2.87Å
537	N	79.2	Confident	86.1	Confident	124 Å²	124	40.6 Å²	40.6	66%	0.663	23%	0.228	S	C	*	.			trans	53.5	41	-179.3	-164.5	41.7	0	0	0	112.9	D533	D533-N537 VanDerWaalsContact O-CA 3.22Å; D533-N537 WeakPolarHBondContact O-CA 3.41Å; D533-N537 PolarHBondContact O-N 3.33Å
538	R	83.1	Confident	86.4	Confident	25 Å²	25	39.6 Å²	39.6	9%	0.094	22%	0.223	C	C	.	.			trans	-118	167.7	-178	64.8	171	173.9	71	-1.8	112	T532 D533 H536 E544 E705 I709	T532-R538 CarbonylContact C-O 3.6Å; T532-R538 WeakPolarHBondContact CA-O 3.22Å; D533-R538 HydrophobicContact CB-CG 3.99Å; D533-R538 PolarHBondContact N-O 2.84Å; H536-R538 HydrophobicContact CB-CG 3.89Å; H536-R538 PolarHBondContact O-N 2.87Å; R538-E544 IonicContact CZ-OE1 3.74Å; R538-E544 IonicContact CZ-OE2 3.77Å; R538-E544 IonicContact NH1-OE1 2.76Å; R538-E544 PolarHBondContact NH1-OE1 3.26Å; R538-E544 IonicContact NH1-OE2 2.83Å; R538-E544 PolarHBondContact NH1-OE2 2.88Å; R538-E544 IonicContact NH2-OE1 3.93Å; R538-E544 PolarHBondContact NH2-OE1 2.82Å; R538-E544 IonicContact NH2-OE2 3.76Å; R538-E705 IonicContact CZ-OE2 3.3Å; R538-E705 IonicContact NH2-OE1 2.99Å; R538-E705 PolarHBondContact NH2-OE1 2.85Å; R538-E705 IonicContact NH2-OE2 2.91Å; R538-E705 PolarHBondContact NH2-OE2 3.38Å; R538-I709 HydrophobicContact CB-CD1 4.3Å
539	S	88	Confident	86.7	Confident	21 Å²	21	39.5 Å²	39.5	15%	0.147	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-67	170.1	167.2	-159	0	0	0	0	111.6	Q527 F710	Q527-S539 VanDerWaalsContact CD-OG 3.29Å; Q527-S539 PolarHBondContact NE2-OG 3.41Å; Q527-S539 PolarHBondContact OE1-OG 3.2Å; S539-F710 WeakPolarHBondContact CB-O 3.32Å; S539-F710 PolarHBondContact OG-O 3.49Å
540	L	89.3	Confident	87.3	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-57	148.7	172.8	-71.5	169.5	0	0	0	110.6	Q527 Y531 E544 I545 L651 A653 F710	Q527-L540 HydrophobicContact CG-CD1 4.07Å; Q527-L540 HydrophobicContact CG-CG 4.43Å; Q527-L540 VanDerWaalsContact OE1-CB 3.31Å; Y531-L540 HydrophobicContact CD1-CD2 4.29Å; Y531-L540 HydrophobicContact CD1-CG 3.94Å; Y531-L540 HydrophobicContact CE1-CB 4.48Å; Y531-L540 HydrophobicContact CE1-CD2 3.42Å; Y531-L540 VanDerWaalsContact CE1-CD2 3.42Å; Y531-L540 HydrophobicContact CE1-CG 3.51Å; Y531-L540 WeakPolarHBondContact OH-CD2 3.38Å; L540-E544 VanDerWaalsContact CA-OE2 3.3Å; L540-E544 WeakPolarHBondContact CA-OE2 3.24Å; L540-E544 HydrophobicContact CD2-CB 4.18Å; L540-I545 HydrophobicContact CB-CD1 4.26Å; L540-I545 HydrophobicContact CB-CG1 4.09Å; L540-I545 HydrophobicContact CD1-CG1 4.21Å; L540-L651 HydrophobicContact CD1-CB 4.29Å; L540-L651 HydrophobicContact CD1-CD2 3.92Å; L540-L651 HydrophobicContact CD1-CG 3.91Å; L540-A653 HydrophobicContact CD2-CB 4.13Å; L540-F710 WeakPolarHBondContact O-CA 3.39Å; L540-F710 VanDerWaalsContact O-CB 3.27Å; L540-F710 WeakPolarHBondContact O-CB 3.5Å; L540-F710 PolarHBondContact O-N 3.03Å
541	K	91.4	Very high	88	Confident	31 Å²	31	31.4 Å²	31.4	14%	0.135	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-92.1	152.5	166.4	-84.7	177.7	-178.2	174.1	0	110.1	G543 E544 I545 E705 S707 E708 I709	K541-G543 PolarHBondContact O-N 2.85Å; K541-E544 HydrophobicContact CB-CG 4.17Å; K541-E544 PolarHBondContact N-OE2 3.45Å; K541-E544 WeakPolarHBondContact O-CB 3.22Å; K541-E544 PolarHBondContact O-N 3.06Å; K541-I545 WeakPolarHBondContact O-CG1 3.36Å; K541-I545 PolarHBondContact O-N 2.91Å; K541-I545 VanDerWaalsContact O-N 3.1Å; K541-E705 WeakPolarHBondContact CE-O 3.12Å; K541-E705 PolarHBondContact NZ-O 3.34Å; K541-E705 IonicContact NZ-OE2 3.37Å; K541-E705 PolarHBondContact NZ-OE2 3.47Å; K541-S707 WeakPolarHBondContact CB-OG 3.35Å; K541-S707 WeakPolarHBondContact CD-O 3.25Å; K541-E708 VanDerWaalsContact CA-O 3.31Å; K541-E708 WeakPolarHBondContact CA-O 3.26Å; K541-I709 HydrophobicContact CG-CG1 4.19Å
542	F	92.5	Very high	88.7	Confident	36 Å²	36	33.2 Å²	33.2	16%	0.158	17%	0.167	C	C	.	.	H	α-helix	trans	-57.9	-34.1	177.2	-78.3	-83.7	0	0	0	112.9	G512 L515 F520 I545 G546 E708 F710	G512-F542 VanDerWaalsContact CA-O 3.24Å; G512-F542 WeakPolarHBondContact CA-O 3.39Å; G512-F542 WeakPolarHBondContact O-CB 3.21Å; L515-F542 HydrophobicContact CB-CD1 3.9Å; L515-F542 HydrophobicContact CB-CE1 4.41Å; L515-F542 HydrophobicContact CD1-CD1 4.37Å; F520-F542 HydrophobicContact CE2-CD1 4.16Å; F520-F542 AromaticContact CE2-CE1 3.65Å; F520-F542 HydrophobicContact CE2-CE1 3.65Å; F520-F542 AromaticContact CZ-CD1 3.96Å; F520-F542 HydrophobicContact CZ-CD1 3.96Å; F520-F542 AromaticContact CZ-CE1 3.64Å; F520-F542 HydrophobicContact CZ-CE1 3.64Å; F542-I545 WeakPolarHBondContact O-CB 3.44Å; F542-I545 PolarHBondContact O-N 3.02Å; F542-G546 PolarHBondContact O-N 3.43Å; F542-E708 HydrophobicContact CD2-CB 4.07Å; F542-E708 WeakPolarHBondContact CD2-O 2.95Å; F542-E708 HydrophobicContact CE2-CB 4.42Å; F542-E708 PolarHBondContact N-O 2.69Å; F542-F710 HydrophobicContact CD2-CB 4.4Å; F542-F710 AromaticContact CE1-CD2 3.96Å; F542-F710 HydrophobicContact CE1-CD2 3.96Å; F542-F710 HydrophobicContact CE2-CB 4.24Å; F542-F710 HydrophobicContact CE2-CD2 4.36Å; F542-F710 HydrophobicContact CZ-CB 4.42Å; F542-F710 AromaticContact CZ-CD2 3.76Å; F542-F710 HydrophobicContact CZ-CD2 3.76Å
543	G	93.4	Very high	89.5	Confident	8 Å²	8	33.7 Å²	33.7	8%	0.082	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-38.3	174.5	0	0	0	0	0	113.3	K541 I545 G546 C547 S707	K541-G543 PolarHBondContact O-N 2.85Å; G543-I545 VanDerWaalsContact C-N 3.32Å; G543-G546 PolarHBondContact O-N 2.75Å; G543-C547 WeakPolarHBondContact O-CB 3.32Å; G543-C547 PolarHBondContact O-N 2.91Å; G543-S707 WeakPolarHBondContact CA-OG 3.47Å; G543-S707 PolarHBondContact N-OG 2.99Å
544	E	94	Very high	90.6	Very high	20 Å²	20	33.2 Å²	33.2	9%	0.093	17%	0.165	C	C	.	.	H	α-helix	trans	-65.4	-38.2	173.8	-64.2	169.4	153.5	0	0	111	R538 L540 K541 C547 F548	R538-E544 IonicContact CZ-OE1 3.74Å; R538-E544 IonicContact CZ-OE2 3.77Å; R538-E544 IonicContact NH1-OE1 2.76Å; R538-E544 PolarHBondContact NH1-OE1 3.26Å; R538-E544 IonicContact NH1-OE2 2.83Å; R538-E544 PolarHBondContact NH1-OE2 2.88Å; R538-E544 IonicContact NH2-OE1 3.93Å; R538-E544 PolarHBondContact NH2-OE1 2.82Å; R538-E544 IonicContact NH2-OE2 3.76Å; L540-E544 VanDerWaalsContact CA-OE2 3.3Å; L540-E544 WeakPolarHBondContact CA-OE2 3.24Å; L540-E544 HydrophobicContact CD2-CB 4.18Å; K541-E544 HydrophobicContact CB-CG 4.17Å; K541-E544 PolarHBondContact N-OE2 3.45Å; K541-E544 WeakPolarHBondContact O-CB 3.22Å; K541-E544 PolarHBondContact O-N 3.06Å; E544-C547 PolarHBondContact O-N 3.44Å; E544-F548 PolarHBondContact O-N 3.5Å
545	I	94.9	Very high	91.7	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-65.4	-47.5	174.7	-60.2	172.5	0	0	0	110.3	L515 F520 L540 K541 F542 G543 C547 F548 L549 L651 F710	L515-I545 HydrophobicContact CD1-CB 4.02Å; L515-I545 HydrophobicContact CD1-CG2 3.67Å; F520-I545 HydrophobicContact CE1-CD1 3.78Å; F520-I545 HydrophobicContact CZ-CD1 3.76Å; F520-I545 HydrophobicContact CZ-CG2 4.35Å; L540-I545 HydrophobicContact CB-CD1 4.26Å; L540-I545 HydrophobicContact CB-CG1 4.09Å; L540-I545 HydrophobicContact CD1-CG1 4.21Å; K541-I545 WeakPolarHBondContact O-CG1 3.36Å; K541-I545 PolarHBondContact O-N 2.91Å; K541-I545 VanDerWaalsContact O-N 3.1Å; F542-I545 WeakPolarHBondContact O-CB 3.44Å; F542-I545 PolarHBondContact O-N 3.02Å; G543-I545 VanDerWaalsContact C-N 3.32Å; I545-C547 VanDerWaalsContact C-N 3.32Å; I545-C547 PolarHBondContact O-N 2.84Å; I545-F548 PolarHBondContact O-N 2.83Å; I545-L549 HydrophobicContact CG2-CD1 3.92Å; I545-L549 HydrophobicContact CG2-CG 4.27Å; I545-L549 VanDerWaalsContact O-CG 3.28Å; I545-L549 WeakPolarHBondContact O-CG 3.11Å; I545-L549 PolarHBondContact O-N 3.37Å; I545-L651 HydrophobicContact CB-CD2 4.27Å; I545-L651 HydrophobicContact CG1-CD2 3.84Å; I545-L651 HydrophobicContact CG2-CD2 3.89Å; I545-F710 HydrophobicContact CD1-CB 3.82Å; I545-F710 HydrophobicContact CD1-CD1 3.97Å; I545-F710 HydrophobicContact CD1-CD2 4.4Å; I545-F710 HydrophobicContact CD1-CG 3.81Å
546	G	96.2	Very high	93.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.4	-41.1	176.5	0	0	0	0	0	112.8	I510 F542 G543 L549 S550	I510-G546 CarbonylContact O-C 3.56Å; I510-G546 WeakPolarHBondContact O-CA 3.19Å; F542-G546 PolarHBondContact O-N 3.43Å; G543-G546 PolarHBondContact O-N 2.75Å; G546-L549 PolarHBondContact O-N 3.27Å; G546-S550 WeakPolarHBondContact O-CB 3.35Å; G546-S550 PolarHBondContact O-N 2.69Å; G546-S550 PolarHBondContact O-OG 3Å
547	C	96.4	Very high	94.2	Very high	29 Å²	29	23.5 Å²	23.5	20%	0.196	12%	0.12	C	C	.	.	H	α-helix	trans	-59.4	-51.3	172.7	-178.9	0	0	0	0	111.4	G543 E544 I545 L549 S550 H551 T704	G543-C547 WeakPolarHBondContact O-CB 3.32Å; G543-C547 PolarHBondContact O-N 2.91Å; E544-C547 PolarHBondContact O-N 3.44Å; I545-C547 VanDerWaalsContact C-N 3.32Å; I545-C547 PolarHBondContact O-N 2.84Å; C547-L549 PolarHBondContact O-N 3.45Å; C547-S550 WeakPolarHBondContact O-CB 3.38Å; C547-S550 PolarHBondContact O-N 3.36Å; C547-H551 PolarHBondContact O-CD2 3.29Å; C547-H551 VanDerWaalsContact O-CD2 3.32Å; C547-H551 PolarHBondContact O-N 3.28Å; C547-T704 HydrophobicContact CB-CG2 3.93Å
548	F	97.2	Very high	95.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.009	9%	0.089	C	C	.	.	H	α-helix	trans	-56.9	-48.3	177.5	-168.4	-73.7	0	0	0	112	E544 I545 S550 H551 Y552 W555 P647 L648 L651 I652 I654 Y657	E544-F548 PolarHBondContact O-N 3.5Å; I545-F548 PolarHBondContact O-N 2.83Å; F548-S550 VanDerWaalsContact C-N 3.27Å; F548-S550 PolarHBondContact O-N 2.74Å; F548-H551 PolarHBondContact O-N 3.06Å; F548-Y552 HydrophobicContact CE1-CD2 4.23Å; F548-Y552 WeakPolarHBondContact O-CB 3.49Å; F548-Y552 PolarHBondContact O-N 2.95Å; F548-W555 HydrophobicContact CZ-CH2 4.45Å; F548-W555 HydrophobicContact CZ-CZ3 4.41Å; F548-P647 HydrophobicContact CE1-CB 4.03Å; F548-P647 HydrophobicContact CE1-CG 4.02Å; F548-P647 HydrophobicContact CZ-CB 3.56Å; F548-P647 HydrophobicContact CZ-CG 3.88Å; F548-L648 HydrophobicContact CD1-CD2 4.11Å; F548-L648 HydrophobicContact CE1-CD2 3.98Å; F548-L651 HydrophobicContact CB-CD1 4.18Å; F548-L651 HydrophobicContact CD1-CD1 3.43Å; F548-L651 VanDerWaalsContact CD1-CD1 3.43Å; F548-L651 HydrophobicContact CD2-CD1 3.77Å; F548-L651 HydrophobicContact CE1-CD1 3.72Å; F548-L651 HydrophobicContact CE2-CD1 4.04Å; F548-L651 HydrophobicContact CG-CD1 3.5Å; F548-L651 HydrophobicContact CZ-CD1 4.05Å; F548-I652 VanDerWaalsContact CD2-O 3.23Å; F548-I652 WeakPolarHBondContact CD2-O 3.48Å; F548-I654 HydrophobicContact CB-CB 4.44Å; F548-I654 HydrophobicContact CD2-CB 3.73Å; F548-I654 HydrophobicContact CD2-CD1 3.94Å; F548-I654 HydrophobicContact CD2-CG1 4.41Å; F548-I654 HydrophobicContact CE2-CB 4.33Å; F548-I654 HydrophobicContact CE2-CD1 3.77Å; F548-I654 HydrophobicContact CG-CB 4.39Å; F548-I654 HydrophobicContact CZ-CD1 4.32Å; F548-Y657 AromaticContact CE2-CD1 3.75Å; F548-Y657 HydrophobicContact CE2-CD1 3.75Å; F548-Y657 AromaticContact CE2-CG 3.86Å; F548-Y657 HydrophobicContact CE2-CG 3.86Å; F548-Y657 AromaticContact CZ-CD1 3.76Å; F548-Y657 HydrophobicContact CZ-CD1 3.76Å; F548-Y657 HydrophobicContact CZ-CE1 4.16Å; F548-Y657 HydrophobicContact CZ-CG 4.18Å
549	L	97.3	Very high	95.9	Very high	2 Å²	2	18 Å²	18	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-62.9	-34.7	-178.7	-67.9	174.5	0	0	0	112.1	I510 L515 L523 I525 I545 G546 C547 Y552 N553 L648	I510-L549 HydrophobicContact CB-CB 4.49Å; I510-L549 HydrophobicContact CD1-CB 3.48Å; I510-L549 VanDerWaalsContact CD1-CB 3.48Å; I510-L549 HydrophobicContact CD1-CD1 4.36Å; I510-L549 HydrophobicContact CG2-CD1 4.39Å; L515-L549 HydrophobicContact CD1-CD1 4.27Å; L515-L549 HydrophobicContact CD2-CD1 3.97Å; L523-L549 HydrophobicContact CD1-CD2 4.31Å; I525-L549 HydrophobicContact CD1-CD1 3.93Å; I525-L549 HydrophobicContact CD1-CD2 3.94Å; I525-L549 HydrophobicContact CD1-CG 4.46Å; I545-L549 HydrophobicContact CG2-CD1 3.92Å; I545-L549 HydrophobicContact CG2-CG 4.27Å; I545-L549 VanDerWaalsContact O-CG 3.28Å; I545-L549 WeakPolarHBondContact O-CG 3.11Å; I545-L549 PolarHBondContact O-N 3.37Å; G546-L549 PolarHBondContact O-N 3.27Å; C547-L549 PolarHBondContact O-N 3.45Å; L549-Y552 PolarHBondContact O-N 2.86Å; L549-N553 WeakPolarHBondContact O-CB 3.23Å; L549-N553 PolarHBondContact O-N 3.45Å; L549-N553 PolarHBondContact O-ND2 2.95Å; L549-L648 HydrophobicContact CD2-CD1 4.4Å; L549-L648 HydrophobicContact CD2-CD2 3.62Å
550	S	97.9	Very high	96.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-48.2	175.7	-57.6	0	0	0	0	111.5	I510 G546 C547 F548 I554	I510-S550 PolarHBondContact N-OG 3.24Å; G546-S550 WeakPolarHBondContact O-CB 3.35Å; G546-S550 PolarHBondContact O-N 2.69Å; G546-S550 PolarHBondContact O-OG 3Å; C547-S550 WeakPolarHBondContact O-CB 3.38Å; C547-S550 PolarHBondContact O-N 3.36Å; F548-S550 VanDerWaalsContact C-N 3.27Å; F548-S550 PolarHBondContact O-N 2.74Å; S550-I554 WeakPolarHBondContact O-CG1 3.38Å; S550-I554 PolarHBondContact O-N 3.13Å
551	H	98.2	Very high	96.8	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-44.8	174.4	-73.7	-76.2	0	0	0	112.3	I481 C547 F548 N553 I554 W555 Y632 I654	I481-H551 WeakPolarHBondContact CD1-CE1 3.05Å; C547-H551 PolarHBondContact O-CD2 3.29Å; C547-H551 VanDerWaalsContact O-CD2 3.32Å; C547-H551 PolarHBondContact O-N 3.28Å; F548-H551 PolarHBondContact O-N 3.06Å; H551-N553 VanDerWaalsContact C-N 3.3Å; H551-N553 PolarHBondContact O-N 2.82Å; H551-I554 PolarHBondContact O-N 3.39Å; H551-I554 VanDerWaalsContact O-N 3.15Å; H551-W555 HydrophobicContact CB-CZ2 4.04Å; H551-W555 VanDerWaalsContact O-CG 3.27Å; H551-W555 PolarHBondContact O-N 3.11Å; H551-W555 PolarHBondContact O-NE1 3.4Å; H551-Y632 AromaticContact CE1-CE1 3.7Å; H551-Y632 AromaticContact ND1-CE1 3.65Å; H551-Y632 AromaticContact ND1-CZ 3.73Å; H551-Y632 PolarHBondContact ND1-OH 3.2Å; H551-I654 HydrophobicContact CB-CD1 4.46Å; H551-I654 HydrophobicContact CB-CG1 4.41Å
552	Y	98.2	Very high	97.1	Very high	44 Å²	44	27 Å²	27	17%	0.173	15%	0.15	C	C	.	.	H	α-helix	trans	-55.6	-45.5	178.7	177.3	-89.2	0	0	0	111.9	F548 L549 I554 W555 I556 L643 P647 L648	F548-Y552 HydrophobicContact CE1-CD2 4.23Å; F548-Y552 WeakPolarHBondContact O-CB 3.49Å; F548-Y552 PolarHBondContact O-N 2.95Å; L549-Y552 PolarHBondContact O-N 2.86Å; Y552-I554 PolarHBondContact O-N 3.33Å; Y552-W555 HydrophobicContact CD2-CE3 4.23Å; Y552-W555 HydrophobicContact CD2-CZ3 4.37Å; Y552-W555 WeakPolarHBondContact O-CB 3.41Å; Y552-W555 PolarHBondContact O-N 3.41Å; Y552-I556 HydrophobicContact CD1-CG1 4.18Å; Y552-I556 HydrophobicContact CE1-CD1 4.26Å; Y552-I556 HydrophobicContact CE1-CG1 3.74Å; Y552-I556 WeakPolarHBondContact O-CG1 3.48Å; Y552-I556 PolarHBondContact O-N 3.47Å; Y552-L643 HydrophobicContact CD2-CD2 3.67Å; Y552-L643 HydrophobicContact CE2-CD2 3.29Å; Y552-L643 HydrophobicContact CG-CD2 4.45Å; Y552-P647 HydrophobicContact CD2-CG 4.07Å; Y552-P647 HydrophobicContact CE2-CG 4.08Å; Y552-L648 HydrophobicContact CD1-CD1 4.24Å; Y552-L648 HydrophobicContact CD2-CD2 4.11Å; Y552-L648 HydrophobicContact CD2-CG 4.25Å; Y552-L648 HydrophobicContact CE1-CD1 3.79Å; Y552-L648 HydrophobicContact CE1-CG 4.4Å; Y552-L648 HydrophobicContact CE2-CD1 4.19Å; Y552-L648 HydrophobicContact CE2-CD2 4.32Å; Y552-L648 HydrophobicContact CE2-CG 3.96Å; Y552-L648 HydrophobicContact CG-CD2 4.2Å
553	N	98	Very high	97.4	Very high	52 Å²	52	27.5 Å²	27.5	28%	0.278	15%	0.152	S	C	.	.	H	α-helix	trans	-66.7	-36.2	179.3	-72.6	-13.6	0	0	0	112.5	Y507 I510 L549 H551 W555 I556 E557	Y507-N553 WeakPolarHBondContact OH-CB 3.31Å; I510-N553 VanDerWaalsContact CD1-ND2 3.27Å; I510-N553 WeakPolarHBondContact CD1-ND2 3.41Å; L549-N553 WeakPolarHBondContact O-CB 3.23Å; L549-N553 PolarHBondContact O-N 3.45Å; L549-N553 PolarHBondContact O-ND2 2.95Å; H551-N553 VanDerWaalsContact C-N 3.3Å; H551-N553 PolarHBondContact O-N 2.82Å; N553-W555 VanDerWaalsContact C-N 3.3Å; N553-W555 PolarHBondContact O-N 3.48Å; N553-I556 PolarHBondContact O-N 2.93Å; N553-E557 WeakPolarHBondContact O-CB 3.37Å; N553-E557 PolarHBondContact O-N 2.91Å
554	I	98.6	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-39.3	172.8	-69.4	167.6	0	0	0	110.8	Y479 I481 Y507 S550 H551 Y552 E557 M558 I566 I568	Y479-I554 HydrophobicContact CD1-CG1 4.43Å; Y479-I554 HydrophobicContact CD2-CG2 3.77Å; Y479-I554 HydrophobicContact CE2-CG2 3.84Å; Y479-I554 HydrophobicContact CG-CD1 4.29Å; Y479-I554 HydrophobicContact CG-CG1 4.48Å; Y479-I554 HydrophobicContact CG-CG2 4.19Å; I481-I554 HydrophobicContact CD1-CD1 3.64Å; I481-I554 HydrophobicContact CG1-CD1 3.65Å; Y507-I554 HydrophobicContact CD1-CD1 4.01Å; Y507-I554 HydrophobicContact CD1-CG1 4.18Å; Y507-I554 HydrophobicContact CD2-CD1 4.03Å; Y507-I554 HydrophobicContact CD2-CG1 3.6Å; Y507-I554 HydrophobicContact CE1-CD1 4.44Å; Y507-I554 HydrophobicContact CE1-CG1 4.22Å; Y507-I554 HydrophobicContact CE2-CD1 4.45Å; Y507-I554 HydrophobicContact CE2-CG1 3.64Å; Y507-I554 HydrophobicContact CG-CD1 3.8Å; Y507-I554 HydrophobicContact CG-CG1 3.89Å; S550-I554 WeakPolarHBondContact O-CG1 3.38Å; S550-I554 PolarHBondContact O-N 3.13Å; H551-I554 PolarHBondContact O-N 3.39Å; H551-I554 VanDerWaalsContact O-N 3.15Å; Y552-I554 PolarHBondContact O-N 3.33Å; I554-E557 PolarHBondContact O-N 2.82Å; I554-M558 WeakPolarHBondContact O-CB 3.32Å; I554-M558 PolarHBondContact O-N 2.93Å; I554-I566 HydrophobicContact CG2-CD1 3.63Å; I554-I568 HydrophobicContact CB-CD1 4.48Å; I554-I568 HydrophobicContact CD1-CG2 4.36Å; I554-I568 HydrophobicContact CG2-CD1 3.66Å; I554-I568 HydrophobicContact CG2-CG1 4.01Å
555	W	98.6	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-42.5	175.4	-51.8	-21.8	0	0	0	111.6	F548 H551 Y552 N553 M558 I559 Y632 L634 A639 L642 L643 I654 Y657 L658	F548-W555 HydrophobicContact CZ-CH2 4.45Å; F548-W555 HydrophobicContact CZ-CZ3 4.41Å; H551-W555 HydrophobicContact CB-CZ2 4.04Å; H551-W555 VanDerWaalsContact O-CG 3.27Å; H551-W555 PolarHBondContact O-N 3.11Å; H551-W555 PolarHBondContact O-NE1 3.4Å; Y552-W555 HydrophobicContact CD2-CE3 4.23Å; Y552-W555 HydrophobicContact CD2-CZ3 4.37Å; Y552-W555 WeakPolarHBondContact O-CB 3.41Å; Y552-W555 PolarHBondContact O-N 3.41Å; N553-W555 VanDerWaalsContact C-N 3.3Å; N553-W555 PolarHBondContact O-N 3.48Å; W555-M558 WeakPolarHBondContact O-CB 3.23Å; W555-M558 PolarHBondContact O-N 3.49Å; W555-I559 WeakPolarHBondContact O-CG1 3.41Å; W555-I559 PolarHBondContact O-N 3.42Å; W555-I559 VanDerWaalsContact O-N 3.08Å; W555-Y632 PolarHBondContact NE1-OH 3.24Å; W555-L634 HydrophobicContact CG-CD2 4.02Å; W555-A639 HydrophobicContact CB-CB 4.32Å; W555-L642 HydrophobicContact CD2-CD1 4.15Å; W555-L642 HydrophobicContact CE3-CB 4Å; W555-L642 HydrophobicContact CE3-CD1 4.34Å; W555-L642 HydrophobicContact CH2-CB 4.37Å; W555-L642 HydrophobicContact CH2-CD1 3.98Å; W555-L642 HydrophobicContact CZ2-CD1 3.77Å; W555-L642 HydrophobicContact CZ3-CB 3.93Å; W555-L642 HydrophobicContact CZ3-CD1 4.28Å; W555-L643 HydrophobicContact CB-CD1 4.14Å; W555-L643 HydrophobicContact CB-CD2 4.23Å; W555-L643 HydrophobicContact CB-CG 4.21Å; W555-L643 HydrophobicContact CE3-CD2 4.05Å; W555-L643 HydrophobicContact CE3-CG 4.46Å; W555-I654 HydrophobicContact CH2-CD1 3.39Å; W555-I654 HydrophobicContact CZ2-CD1 3.62Å; W555-Y657 HydrophobicContact CH2-CD1 4.08Å; W555-Y657 HydrophobicContact CH2-CE1 4.01Å; W555-Y657 HydrophobicContact CZ3-CE1 4.06Å; W555-L658 HydrophobicContact CH2-CD2 4.5Å; W555-L658 HydrophobicContact CZ2-CD2 4.33Å
556	I	98.4	Very high	98	Very high	55 Å²	55	33.6 Å²	33.6	28%	0.282	18%	0.179	S	C	.	.	H	α-helix	trans	-60.9	-46.2	174.4	-67	-70.9	0	0	0	110.7	Y552 N553 M558 I559 N560 L643	Y552-I556 HydrophobicContact CD1-CG1 4.18Å; Y552-I556 HydrophobicContact CE1-CD1 4.26Å; Y552-I556 HydrophobicContact CE1-CG1 3.74Å; Y552-I556 WeakPolarHBondContact O-CG1 3.48Å; Y552-I556 PolarHBondContact O-N 3.47Å; N553-I556 PolarHBondContact O-N 2.93Å; I556-M558 VanDerWaalsContact C-N 3.31Å; I556-M558 PolarHBondContact O-N 2.8Å; I556-I559 PolarHBondContact O-N 2.91Å; I556-N560 WeakPolarHBondContact CG2-ND2 3.37Å; I556-N560 WeakPolarHBondContact O-CB 3.47Å; I556-N560 PolarHBondContact O-N 3.14Å; I556-N560 PolarHBondContact O-ND2 3.05Å; I556-L643 HydrophobicContact CD1-CD1 3.76Å; I556-L643 HydrophobicContact CD1-CD2 3.72Å; I556-L643 HydrophobicContact CD1-CG 4.35Å; I556-L643 HydrophobicContact CG1-CD1 4.37Å; I556-L643 HydrophobicContact CG1-CD2 4Å
557	E	98.2	Very high	98.1	Very high	39 Å²	39	33.6 Å²	33.6	18%	0.182	18%	0.179	C	C	.	.	H	α-helix	trans	-59.2	-42.9	176.9	-176.5	172.2	162.4	0	0	111.5	Y479 K505 N553 I554 I559 N560 N561	Y479-E557 VanDerWaalsContact OH-CD 3.29Å; Y479-E557 PolarHBondContact OH-OE1 3.48Å; Y479-E557 VanDerWaalsContact OH-OE1 3.05Å; K505-E557 IonicContact NZ-OE1 3.25Å; K505-E557 PolarHBondContact NZ-OE1 3.08Å; K505-E557 IonicContact NZ-OE2 2.73Å; N553-E557 WeakPolarHBondContact O-CB 3.37Å; N553-E557 PolarHBondContact O-N 2.91Å; I554-E557 PolarHBondContact O-N 2.82Å; E557-I559 PolarHBondContact O-N 3.3Å; E557-N560 PolarHBondContact O-N 3.34Å; E557-N561 WeakPolarHBondContact CG-ND2 2.88Å; E557-N561 VanDerWaalsContact O-CB 3.29Å; E557-N561 WeakPolarHBondContact O-CB 3.41Å; E557-N561 PolarHBondContact O-N 3.01Å; E557-N561 PolarHBondContact O-ND2 3.48Å
558	M	98.3	Very high	98.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.2	-47.8	174.8	-172.5	-170.3	-177.6	0	0	112.1	I554 W555 I556 G562 Y563 N564 I566 L634 R636 A639	I554-M558 WeakPolarHBondContact O-CB 3.32Å; I554-M558 PolarHBondContact O-N 2.93Å; W555-M558 WeakPolarHBondContact O-CB 3.23Å; W555-M558 PolarHBondContact O-N 3.49Å; I556-M558 VanDerWaalsContact C-N 3.31Å; I556-M558 PolarHBondContact O-N 2.8Å; M558-G562 PolarHBondContact O-N 2.86Å; M558-Y563 WeakPolarHBondContact CE-O 3.48Å; M558-Y563 PolarHBondContact O-N 3.31Å; M558-N564 WeakPolarHBondContact CE-O 3.37Å; M558-I566 HydrophobicContact CB-CD1 4.01Å; M558-I566 HydrophobicContact CE-CG1 4.15Å; M558-I566 HydrophobicContact CE-CG2 4.34Å; M558-I566 HydrophobicContact CG-CD1 4Å; M558-I566 HydrophobicContact CG-CG1 4.31Å; M558-I566 HydrophobicContact CG-CG2 4.05Å; M558-I566 HydrophobicContact SD-CD1 3.72Å; M558-I566 HydrophobicContact SD-CG1 3.76Å; M558-I566 HydrophobicContact SD-CG2 4.45Å; M558-L634 WeakPolarHBondContact CE-O 2.99Å; M558-L634 HydrophobicContact SD-CD2 4.28Å; M558-L634 HydrophobicContact SD-CG 4.37Å; M558-R636 HydrophobicContact CE-CB 4.22Å; M558-A639 HydrophobicContact SD-CB 3.77Å
559	I	98.3	Very high	98.3	Very high	35 Å²	35	32.1 Å²	32.1	18%	0.179	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-49	179.4	-63.9	-47.7	0	0	0	110.9	W555 I556 E557 N561 G562 R636 A639 E640 L643	W555-I559 WeakPolarHBondContact O-CG1 3.41Å; W555-I559 PolarHBondContact O-N 3.42Å; W555-I559 VanDerWaalsContact O-N 3.08Å; I556-I559 PolarHBondContact O-N 2.91Å; E557-I559 PolarHBondContact O-N 3.3Å; I559-N561 VanDerWaalsContact C-N 3.33Å; I559-N561 PolarHBondContact O-N 3.5Å; I559-G562 PolarHBondContact O-N 2.76Å; I559-R636 HydrophobicContact CD1-CG 3.77Å; I559-R636 PolarHBondContact O-NH1 2.86Å; I559-R636 PolarHBondContact O-NH2 3.2Å; I559-A639 HydrophobicContact CD1-CB 3.85Å; I559-A639 HydrophobicContact CG1-CB 4.34Å; I559-E640 HydrophobicContact CD1-CG 3.55Å; I559-E640 HydrophobicContact CG1-CG 4.42Å; I559-L643 HydrophobicContact CG1-CD1 3.84Å
560	N	98.3	Very high	98.3	Very high	120 Å²	120	33.7 Å²	33.7	64%	0.642	18%	0.176	S	C	*	.	H	α-helix	trans	-63.1	-38.4	-176.7	-71.4	-14.1	0	0	0	112.3	I556 E557 G562	I556-N560 WeakPolarHBondContact CG2-ND2 3.37Å; I556-N560 WeakPolarHBondContact O-CB 3.47Å; I556-N560 PolarHBondContact O-N 3.14Å; I556-N560 PolarHBondContact O-ND2 3.05Å; E557-N560 PolarHBondContact O-N 3.34Å; N560-G562 VanDerWaalsContact C-N 3.29Å; N560-G562 PolarHBondContact O-N 3.45Å
561	N	98.2	Very high	98.2	Very high	80 Å²	80	34.2 Å²	34.2	43%	0.428	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.1	179.7	-68.5	-20.5	0	0	0	113.7	E557 I559 Y563	E557-N561 WeakPolarHBondContact CG-ND2 2.88Å; E557-N561 VanDerWaalsContact O-CB 3.29Å; E557-N561 WeakPolarHBondContact O-CB 3.41Å; E557-N561 PolarHBondContact O-N 3.01Å; E557-N561 PolarHBondContact O-ND2 3.48Å; I559-N561 VanDerWaalsContact C-N 3.33Å; I559-N561 PolarHBondContact O-N 3.5Å; N561-Y563 VanDerWaalsContact C-N 3.28Å; N561-Y563 HydrophobicContact CB-CD1 3.83Å; N561-Y563 HydrophobicContact CB-CD2 4.03Å; N561-Y563 HydrophobicContact CB-CE1 3.58Å; N561-Y563 HydrophobicContact CB-CE2 3.78Å; N561-Y563 HydrophobicContact CB-CG 4.05Å; N561-Y563 PolarHBondContact O-N 2.92Å
562	G	98	Very high	98	Very high	41 Å²	41	35.9 Å²	35.9	42%	0.423	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	18.1	-179.3	0	0	0	0	0	114	M558 I559 N560	M558-G562 PolarHBondContact O-N 2.86Å; I559-G562 PolarHBondContact O-N 2.76Å; N560-G562 VanDerWaalsContact C-N 3.29Å; N560-G562 PolarHBondContact O-N 3.45Å
563	Y	98.5	Very high	97.8	Very high	48 Å²	48	33.8 Å²	33.8	19%	0.188	18%	0.18	C	C	.	.			trans	-69.4	137.6	-178.8	-63.1	-19.1	0	0	0	110.8	D476 E477 Y479 M558 N561 I566	D476-Y563 HydrophobicContact CB-CD1 3.63Å; D476-Y563 HydrophobicContact CB-CD2 4.44Å; D476-Y563 HydrophobicContact CB-CE1 4.29Å; D476-Y563 HydrophobicContact CB-CG 3.71Å; E477-Y563 HydrophobicContact CB-CD2 4.12Å; E477-Y563 HydrophobicContact CB-CE2 3.68Å; E477-Y563 HydrophobicContact CG-CE2 4.37Å; Y479-Y563 WeakPolarHBondContact OH-CE2 3.41Å; M558-Y563 WeakPolarHBondContact CE-O 3.48Å; M558-Y563 PolarHBondContact O-N 3.31Å; N561-Y563 VanDerWaalsContact C-N 3.28Å; N561-Y563 HydrophobicContact CB-CD1 3.83Å; N561-Y563 HydrophobicContact CB-CD2 4.03Å; N561-Y563 HydrophobicContact CB-CE1 3.58Å; N561-Y563 HydrophobicContact CB-CE2 3.78Å; N561-Y563 HydrophobicContact CB-CG 4.05Å; N561-Y563 PolarHBondContact O-N 2.92Å; Y563-I566 HydrophobicContact CD2-CG2 3.89Å; Y563-I566 HydrophobicContact CG-CG2 4.33Å
564	N	97.9	Very high	97.7	Very high	105 Å²	105	33.5 Å²	33.5	56%	0.561	18%	0.175	S	C	*	.	S	Bend	trans	-91.6	-38.1	178.6	-68.3	-52.3	0	0	0	111.6	D476 M558 N635 R636	D476-N564 WeakPolarHBondContact OD2-CA 3.32Å; D476-N564 WeakPolarHBondContact OD2-CB 3.49Å; D476-N564 PolarHBondContact OD2-N 3.48Å; M558-N564 WeakPolarHBondContact CE-O 3.37Å; N564-N635 CarbonylContact O-C 3.44Å; N564-N635 WeakPolarHBondContact O-CA 3.19Å; N564-N635 WeakPolarHBondContact O-CB 3.48Å; N564-R636 PolarHBondContact O-N 3.23Å
565	R	98	Very high	97.6	Very high	51 Å²	51	33.7 Å²	33.7	19%	0.192	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	129.1	-177.4	-168.2	-174.9	-64.8	-151	-8.4	111.7	F475 D476 D591 I633 L634	F475-R565 HydrophobicContact CD1-CB 4.49Å; F475-R565 HydrophobicContact CD1-CG 3.78Å; F475-R565 HydrophobicContact CE1-CG 3.97Å; D476-R565 PolarHBondContact N-O 3.37Å; D476-R565 PolarHBondContact OD2-N 3.33Å; R565-D591 IonicContact CZ-OD1 3.61Å; R565-D591 IonicContact CZ-OD2 2.88Å; R565-D591 IonicContact NH1-OD1 3.95Å; R565-D591 PolarHBondContact NH1-OD1 3.38Å; R565-D591 IonicContact NH1-OD2 3.81Å; R565-D591 PolarHBondContact NH1-OD2 2.67Å; R565-D591 VanDerWaalsContact NH2-CG 3.33Å; R565-D591 IonicContact NH2-OD1 3.88Å; R565-D591 PolarHBondContact NH2-OD1 2.97Å; R565-D591 IonicContact NH2-OD2 3.82Å; R565-D591 PolarHBondContact NH2-OD2 2.83Å; R565-I633 HydrophobicContact CG-CG2 3.64Å; R565-L634 WeakPolarHBondContact CA-O 3.44Å
566	I	98.7	Very high	97.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153.8	176.8	62.7	171.8	0	0	0	111.2	E477 Y479 I554 M558 Y563 I568 I633 L634	E477-I566 HydrophobicContact CB-CG2 4.29Å; E477-I566 VanDerWaalsContact O-CA 3.28Å; E477-I566 WeakPolarHBondContact O-CA 3.29Å; E477-I566 WeakPolarHBondContact O-CB 3.49Å; Y479-I566 HydrophobicContact CD2-CD1 4.36Å; Y479-I566 HydrophobicContact CE2-CB 4.34Å; Y479-I566 HydrophobicContact CE2-CD1 4.15Å; Y479-I566 HydrophobicContact CE2-CG2 4.19Å; I554-I566 HydrophobicContact CG2-CD1 3.63Å; M558-I566 HydrophobicContact CB-CD1 4.01Å; M558-I566 HydrophobicContact CE-CG1 4.15Å; M558-I566 HydrophobicContact CE-CG2 4.34Å; M558-I566 HydrophobicContact CG-CD1 4Å; M558-I566 HydrophobicContact CG-CG1 4.31Å; M558-I566 HydrophobicContact CG-CG2 4.05Å; M558-I566 HydrophobicContact SD-CD1 3.72Å; M558-I566 HydrophobicContact SD-CG1 3.76Å; M558-I566 HydrophobicContact SD-CG2 4.45Å; Y563-I566 HydrophobicContact CD2-CG2 3.89Å; Y563-I566 HydrophobicContact CG-CG2 4.33Å; I566-I568 HydrophobicContact CD1-CD1 3.8Å; I566-I568 HydrophobicContact CD1-CG1 3.97Å; I566-I568 HydrophobicContact CG1-CD1 4.45Å; I566-I568 HydrophobicContact CG1-CG1 4.35Å; I566-I633 WeakPolarHBondContact O-CA 3.34Å; I566-I633 WeakPolarHBondContact O-CG2 3.27Å; I566-L634 HydrophobicContact CG1-CB 4.17Å; I566-L634 PolarHBondContact N-O 2.83Å; I566-L634 PolarHBondContact O-N 2.7Å
567	L	98.8	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133	167.4	172.1	63	0	0	0	108.9	F475 E477 I478 Y479 L569 L583 I602 I633	F475-L567 HydrophobicContact CD1-CB 4.19Å; F475-L567 HydrophobicContact CD2-CB 4.14Å; F475-L567 HydrophobicContact CE1-CB 4.07Å; F475-L567 HydrophobicContact CE2-CB 4.02Å; F475-L567 HydrophobicContact CE2-CD2 4.1Å; F475-L567 HydrophobicContact CG-CB 4.21Å; F475-L567 HydrophobicContact CZ-CB 3.96Å; F475-L567 HydrophobicContact CZ-CD2 4.44Å; E477-L567 PolarHBondContact O-N 2.97Å; I478-L567 CarbonylContact C-O 3.49Å; I478-L567 WeakPolarHBondContact CA-O 3.48Å; I478-L567 HydrophobicContact CB-CB 4.45Å; I478-L567 HydrophobicContact CD1-CD2 4.44Å; I478-L567 HydrophobicContact CG1-CB 4.17Å; I478-L567 HydrophobicContact CG2-CB 4.05Å; I478-L567 HydrophobicContact CG2-CD2 3.88Å; I478-L567 HydrophobicContact CG2-CG 4.02Å; Y479-L567 PolarHBondContact N-O 3.26Å; L567-L569 HydrophobicContact CD1-CD2 4.01Å; L567-L569 HydrophobicContact CD2-CD1 4.36Å; L567-L569 HydrophobicContact CD2-CD2 4.32Å; L567-L569 HydrophobicContact CD2-CG 4.4Å; L567-L569 HydrophobicContact CG-CD2 4.16Å; L567-L569 HydrophobicContact CG-CG 4.17Å; L567-L583 HydrophobicContact CD2-CD2 4.13Å; L567-I602 HydrophobicContact CD1-CD1 3.68Å; L567-I602 HydrophobicContact CD1-CG1 4.42Å; L567-I633 HydrophobicContact CD1-CG1 3.94Å
568	I	98.7	Very high	96.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.2	177.1	-57.1	170.4	0	0	0	108.1	I481 I554 I566 G631 Y632	I481-I568 HydrophobicContact CD1-CG2 3.73Å; I481-I568 HydrophobicContact CG1-CG2 4.25Å; I554-I568 HydrophobicContact CB-CD1 4.48Å; I554-I568 HydrophobicContact CD1-CG2 4.36Å; I554-I568 HydrophobicContact CG2-CD1 3.66Å; I554-I568 HydrophobicContact CG2-CG1 4.01Å; I566-I568 HydrophobicContact CD1-CD1 3.8Å; I566-I568 HydrophobicContact CD1-CG1 3.97Å; I566-I568 HydrophobicContact CG1-CD1 4.45Å; I566-I568 HydrophobicContact CG1-CG1 4.35Å; I568-G631 CarbonylContact O-C 3.53Å; I568-G631 WeakPolarHBondContact O-CA 3.44Å; I568-Y632 HydrophobicContact CB-CE1 4.27Å; I568-Y632 HydrophobicContact CD1-CE1 4.45Å; I568-Y632 HydrophobicContact CD1-CE2 3.67Å; I568-Y632 WeakPolarHBondContact CD1-OH 3.35Å; I568-Y632 HydrophobicContact CG2-CE1 4.31Å; I568-Y632 PolarHBondContact N-O 2.82Å; I568-Y632 PolarHBondContact O-N 3.03Å
569	L	98.6	Very high	96.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.4	-179.8	-59.1	175.2	0	0	0	110.3	I478 Y479 F480 I481 M493 L497 L567 L573 F575 I602	I478-L569 HydrophobicContact CG2-CD1 4.39Å; Y479-L569 PolarHBondContact O-N 3.12Å; F480-L569 CarbonylContact C-O 3.56Å; F480-L569 VanDerWaalsContact CA-O 3.27Å; F480-L569 WeakPolarHBondContact CA-O 3.33Å; F480-L569 HydrophobicContact CB-CB 4.17Å; I481-L569 PolarHBondContact N-O 3.41Å; M493-L569 HydrophobicContact CE-CB 3.86Å; M493-L569 HydrophobicContact CE-CD1 3.64Å; M493-L569 HydrophobicContact CE-CG 4.36Å; L497-L569 HydrophobicContact CD2-CD1 4.17Å; L567-L569 HydrophobicContact CD1-CD2 4.01Å; L567-L569 HydrophobicContact CD2-CD1 4.36Å; L567-L569 HydrophobicContact CD2-CD2 4.32Å; L567-L569 HydrophobicContact CD2-CG 4.4Å; L567-L569 HydrophobicContact CG-CD2 4.16Å; L567-L569 HydrophobicContact CG-CG 4.17Å; L569-L573 HydrophobicContact CB-CD2 4.02Å; L569-L573 HydrophobicContact CD2-CD2 4.04Å; L569-F575 HydrophobicContact CD1-CE1 4.39Å; L569-F575 HydrophobicContact CD1-CZ 4.33Å; L569-I602 HydrophobicContact CD2-CD1 3.8Å
570	E	97.4	Very high	96.8	Very high	35 Å²	35	32.5 Å²	32.5	16%	0.164	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	165.8	164.1	-67.8	176	-171.5	0	0	110.5	L573 T629 L630	E570-L573 WeakPolarHBondContact O-CD2 3.5Å; E570-T629 WeakPolarHBondContact OE1-CB 3.32Å; E570-T629 PolarHBondContact OE1-OG1 3.38Å; E570-L630 PolarHBondContact N-O 3.26Å
571	D	95.9	Very high	96.5	Very high	12 Å²	12	30 Å²	30	6%	0.064	16%	0.161	C	C	.	.	S	Bend	trans	-88.1	-13.3	-173.6	65.9	-2.2	0	0	0	115.1	I481 N482 R489	I481-D571 WeakPolarHBondContact O-CB 3.45Å; I481-D571 PolarHBondContact O-N 3.33Å; N482-D571 HydrophobicContact CB-CB 3.96Å; N482-D571 PolarHBondContact ND2-OD2 3.18Å; R489-D571 HydrophobicContact CB-CB 4.05Å; R489-D571 WeakPolarHBondContact CB-OD2 3.36Å; R489-D571 WeakPolarHBondContact CD-OD1 3.44Å; R489-D571 VanDerWaalsContact CD-OD2 3.31Å; R489-D571 WeakPolarHBondContact CD-OD2 3.28Å; R489-D571 IonicContact NH1-OD1 3.22Å; R489-D571 PolarHBondContact NH1-OD1 3.13Å
572	D	93.4	Very high	96.4	Very high	37 Å²	37	28.6 Å²	28.6	20%	0.198	15%	0.153	C	C	.	.	S	Bend	trans	-112	34	-174.8	62.4	-1.8	0	0	0	113.1	R489 Q692	R489-D572 IonicContact CZ-OD2 3.67Å; R489-D572 VanDerWaalsContact NH1-CG 3.33Å; R489-D572 IonicContact NH1-OD2 2.75Å; R489-D572 PolarHBondContact NH1-OD2 2.8Å; R489-D572 IonicContact NH2-OD2 3.98Å; D572-Q692 WeakPolarHBondContact O-CG 3.38Å; D572-Q692 PolarHBondContact O-N 2.93Å
573	L	95.5	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	161.1	173.4	67.6	78.6	0	0	0	113.2	M493 L569 E570 F575 L630 V689 E690 Q692	M493-L573 HydrophobicContact CE-CD1 4.19Å; M493-L573 HydrophobicContact CE-CD2 4.24Å; M493-L573 HydrophobicContact CE-CG 4.26Å; M493-L573 HydrophobicContact SD-CD1 4.36Å; L569-L573 HydrophobicContact CB-CD2 4.02Å; L569-L573 HydrophobicContact CD2-CD2 4.04Å; E570-L573 WeakPolarHBondContact O-CD2 3.5Å; L573-F575 HydrophobicContact CD1-CD1 4.11Å; L573-F575 HydrophobicContact CD1-CD2 3.83Å; L573-F575 HydrophobicContact CD1-CE1 3.88Å; L573-F575 HydrophobicContact CD1-CE2 3.57Å; L573-F575 HydrophobicContact CD1-CG 4.1Å; L573-F575 HydrophobicContact CD1-CZ 3.63Å; L573-L630 WeakPolarHBondContact CD2-O 3.12Å; L573-V689 HydrophobicContact CB-CB 4.32Å; L573-V689 HydrophobicContact CD1-CB 4.15Å; L573-V689 HydrophobicContact CD1-CG1 3.95Å; L573-V689 HydrophobicContact CD2-CB 4.2Å; L573-V689 HydrophobicContact CD2-CG1 4.25Å; L573-V689 HydrophobicContact CD2-CG2 4.14Å; L573-V689 HydrophobicContact CG-CB 4.48Å; L573-E690 CarbonylContact C-O 3.55Å; L573-E690 WeakPolarHBondContact CA-O 3.32Å; L573-E690 WeakPolarHBondContact CB-O 3.5Å; L573-Q692 VanDerWaalsContact O-CG 3.28Å; L573-Q692 WeakPolarHBondContact O-CG 3.3Å; L573-Q692 PolarHBondContact O-NE2 3.19Å
574	R	95.2	Very high	96.2	Very high	46 Å²	46	26.7 Å²	26.7	17%	0.174	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.5	165.6	69.5	-177.5	-176.9	-171.2	1.3	109.4	I445 V689 E690 Q692	I445-R574 HydrophobicContact CD1-CB 3.57Å; R574-V689 VanDerWaalsContact O-CA 3.26Å; R574-V689 WeakPolarHBondContact O-CA 3.49Å; R574-E690 HydrophobicContact CG-CB 3.84Å; R574-E690 IonicContact CZ-OE2 2.68Å; R574-E690 VanDerWaalsContact CZ-OE2 3.25Å; R574-E690 PolarHBondContact N-O 3.28Å; R574-E690 IonicContact NE-OE2 3.36Å; R574-E690 PolarHBondContact NE-OE2 2.7Å; R574-E690 IonicContact NH2-OE2 3.49Å; R574-E690 PolarHBondContact NH2-OE2 3.03Å; R574-E690 PolarHBondContact O-N 3.2Å; R574-Q692 HydrophobicContact CB-CG 4.47Å
575	F	97.2	Very high	96	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.013	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135	-179.3	-66	-85.4	0	0	0	111.2	H438 L441 M493 M496 L497 L500 L569 L573 F579 V689	H438-F575 PolarHBondContact CD2-O 3.03Å; H438-F575 PolarHBondContact NE2-O 2.79Å; L441-F575 HydrophobicContact CD1-CB 4.09Å; L441-F575 HydrophobicContact CD1-CD2 4.31Å; M493-F575 HydrophobicContact CE-CE2 4.16Å; M493-F575 HydrophobicContact CE-CZ 3.69Å; M493-F575 HydrophobicContact SD-CE2 3.95Å; M493-F575 HydrophobicContact SD-CZ 4.11Å; M496-F575 HydrophobicContact CB-CD2 4.12Å; M496-F575 HydrophobicContact CB-CE2 3.8Å; M496-F575 HydrophobicContact CE-CE2 4.3Å; M496-F575 HydrophobicContact SD-CD2 4.09Å; M496-F575 HydrophobicContact SD-CE2 4.27Å; L497-F575 HydrophobicContact CD2-CZ 4.07Å; L500-F575 HydrophobicContact CD1-CB 4.21Å; L500-F575 HydrophobicContact CD1-CD1 3.75Å; L500-F575 HydrophobicContact CD1-CD2 3.68Å; L500-F575 HydrophobicContact CD1-CE1 3.92Å; L500-F575 HydrophobicContact CD1-CE2 3.85Å; L500-F575 HydrophobicContact CD1-CG 3.61Å; L500-F575 HydrophobicContact CD1-CZ 3.95Å; L569-F575 HydrophobicContact CD1-CE1 4.39Å; L569-F575 HydrophobicContact CD1-CZ 4.33Å; L573-F575 HydrophobicContact CD1-CD1 4.11Å; L573-F575 HydrophobicContact CD1-CD2 3.83Å; L573-F575 HydrophobicContact CD1-CE1 3.88Å; L573-F575 HydrophobicContact CD1-CE2 3.57Å; L573-F575 HydrophobicContact CD1-CG 4.1Å; L573-F575 HydrophobicContact CD1-CZ 3.63Å; F575-F579 HydrophobicContact CB-CB 4.21Å; F575-F579 HydrophobicContact CB-CG 4.35Å; F575-F579 HydrophobicContact CD1-CB 4.33Å; F575-F579 AromaticContact CD1-CD1 3.69Å; F575-F579 HydrophobicContact CD1-CD1 3.69Å; F575-F579 AromaticContact CD1-CD2 3.63Å; F575-F579 HydrophobicContact CD1-CD2 3.63Å; F575-F579 AromaticContact CD1-CE1 3.83Å; F575-F579 HydrophobicContact CD1-CE1 3.83Å; F575-F579 AromaticContact CD1-CE2 3.77Å; F575-F579 HydrophobicContact CD1-CE2 3.77Å; F575-F579 AromaticContact CD1-CG 3.59Å; F575-F579 HydrophobicContact CD1-CG 3.59Å; F575-F579 AromaticContact CD1-CZ 3.86Å; F575-F579 HydrophobicContact CD1-CZ 3.86Å; F575-F579 HydrophobicContact CE1-CD1 4.03Å; F575-F579 HydrophobicContact CE1-CD2 4.39Å; F575-F579 AromaticContact CE1-CE1 3.73Å; F575-F579 HydrophobicContact CE1-CE1 3.73Å; F575-F579 HydrophobicContact CE1-CE2 4.12Å; F575-F579 HydrophobicContact CE1-CG 4.35Å; F575-F579 AromaticContact CE1-CZ 3.77Å; F575-F579 HydrophobicContact CE1-CZ 3.77Å; F575-F579 HydrophobicContact CG-CG 4.39Å; F575-V689 HydrophobicContact CD1-CG1 3.71Å; F575-V689 HydrophobicContact CE1-CG1 4.07Å; F575-V689 HydrophobicContact CG-CG1 4.47Å
576	A	94.9	Very high	96	Very high	26 Å²	26	22.4 Å²	22.4	22%	0.215	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-67.8	157.4	174.6	0	0	0	0	0	112	A578 F579 L688	A576-A578 PolarHBondContact O-N 2.8Å; A576-F579 WeakPolarHBondContact O-CB 2.86Å; A576-F579 PolarHBondContact O-N 2.98Å; A576-L688 VanDerWaalsContact CB-O 3.29Å; A576-L688 WeakPolarHBondContact CB-O 3.43Å; A576-L688 PolarHBondContact N-O 2.86Å
577	P	92.3	Very high	95.9	Very high	33 Å²	33	23 Å²	23	21%	0.214	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	139.4	173.6	-24.9	32.8	0	0	0	112.3	L435 H438 F579 N582	L435-P577 HydrophobicContact CD2-CB 4.26Å; H438-P577 HydrophobicContact CB-CB 4.35Å; H438-P577 HydrophobicContact CB-CG 4.41Å; H438-P577 VanDerWaalsContact CD2-CD 3.46Å; H438-P577 WeakPolarHBondContact CD2-CD 3.29Å; P577-F579 VanDerWaalsContact C-N 3.27Å; P577-F579 PolarHBondContact O-N 3.24Å; P577-N582 PolarHBondContact O-ND2 3.26Å; P577-N582 VanDerWaalsContact O-ND2 3.07Å
578	A	93.6	Very high	95.7	Very high	6 Å²	6	27.4 Å²	27.4	5%	0.05	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	31.3	-176.8	0	0	0	0	0	114.9	Y420 D434 A576 V580 R581 N582	Y420-A578 WeakPolarHBondContact OH-CB 3.24Å; D434-A578 HydrophobicContact CB-CB 3.73Å; D434-A578 VanDerWaalsContact OD2-CB 3.27Å; D434-A578 WeakPolarHBondContact OD2-CB 3.4Å; A576-A578 PolarHBondContact O-N 2.8Å; A578-V580 PolarHBondContact O-N 3.33Å; A578-R581 HydrophobicContact CB-CB 4.39Å; A578-R581 WeakPolarHBondContact O-CB 3.16Å; A578-R581 PolarHBondContact O-N 3.07Å; A578-R581 VanDerWaalsContact O-N 3.11Å; A578-N582 PolarHBondContact O-N 2.92Å; A578-N582 PolarHBondContact O-ND2 3.47Å
579	F	96.6	Very high	95.7	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.009	15%	0.147	C	C	.	.	H	α-helix	trans	-41.6	-56.7	-176.8	174.3	-105	0	0	0	114.4	L500 I502 F575 A576 P577 R581 N582 L583 I602 L688 V689	L500-F579 HydrophobicContact CD1-CD1 4.08Å; L500-F579 HydrophobicContact CD2-CB 4.42Å; I502-F579 HydrophobicContact CD1-CD1 3.96Å; I502-F579 HydrophobicContact CD1-CE1 3.61Å; F575-F579 HydrophobicContact CB-CB 4.21Å; F575-F579 HydrophobicContact CB-CG 4.35Å; F575-F579 HydrophobicContact CD1-CB 4.33Å; F575-F579 AromaticContact CD1-CD1 3.69Å; F575-F579 HydrophobicContact CD1-CD1 3.69Å; F575-F579 AromaticContact CD1-CD2 3.63Å; F575-F579 HydrophobicContact CD1-CD2 3.63Å; F575-F579 AromaticContact CD1-CE1 3.83Å; F575-F579 HydrophobicContact CD1-CE1 3.83Å; F575-F579 AromaticContact CD1-CE2 3.77Å; F575-F579 HydrophobicContact CD1-CE2 3.77Å; F575-F579 AromaticContact CD1-CG 3.59Å; F575-F579 HydrophobicContact CD1-CG 3.59Å; F575-F579 AromaticContact CD1-CZ 3.86Å; F575-F579 HydrophobicContact CD1-CZ 3.86Å; F575-F579 HydrophobicContact CE1-CD1 4.03Å; F575-F579 HydrophobicContact CE1-CD2 4.39Å; F575-F579 AromaticContact CE1-CE1 3.73Å; F575-F579 HydrophobicContact CE1-CE1 3.73Å; F575-F579 HydrophobicContact CE1-CE2 4.12Å; F575-F579 HydrophobicContact CE1-CG 4.35Å; F575-F579 AromaticContact CE1-CZ 3.77Å; F575-F579 HydrophobicContact CE1-CZ 3.77Å; F575-F579 HydrophobicContact CG-CG 4.39Å; A576-F579 WeakPolarHBondContact O-CB 2.86Å; A576-F579 PolarHBondContact O-N 2.98Å; P577-F579 VanDerWaalsContact C-N 3.27Å; P577-F579 PolarHBondContact O-N 3.24Å; F579-R581 VanDerWaalsContact C-N 3.34Å; F579-R581 PolarHBondContact O-N 3.02Å; F579-N582 PolarHBondContact O-N 3.42Å; F579-L583 HydrophobicContact CE1-CD2 3.98Å; F579-L583 HydrophobicContact CZ-CD2 3.87Å; F579-L583 VanDerWaalsContact O-CB 3.29Å; F579-L583 WeakPolarHBondContact O-CB 3.48Å; F579-L583 PolarHBondContact O-N 2.86Å; F579-I602 HydrophobicContact CE2-CD1 4.06Å; F579-I602 HydrophobicContact CZ-CD1 4.15Å; F579-L688 HydrophobicContact CD2-CB 3.81Å; F579-L688 WeakPolarHBondContact CD2-O 3.25Å; F579-L688 HydrophobicContact CE2-CB 3.81Å; F579-V689 HydrophobicContact CD2-CG1 4.16Å; F579-V689 HydrophobicContact CE2-CG1 3.68Å; F579-V689 HydrophobicContact CZ-CG1 4.44Å
580	V	96.2	Very high	95.6	Very high	37 Å²	37	28.8 Å²	28.8	22%	0.224	15%	0.147	C	C	.	.	H	α-helix	trans	-61.5	-42	-175.4	174.4	0	0	0	0	111.9	L473 L500 I502 A578 N584	L473-V580 HydrophobicContact CD1-CG1 4.33Å; L473-V580 HydrophobicContact CD1-CG2 4.42Å; L473-V580 HydrophobicContact CD2-CG1 3.62Å; L500-V580 HydrophobicContact CB-CG2 4.37Å; L500-V580 HydrophobicContact CD2-CG2 4.39Å; I502-V580 HydrophobicContact CD1-CG2 4.25Å; I502-V580 HydrophobicContact CG1-CG2 4.41Å; A578-V580 PolarHBondContact O-N 3.33Å; V580-N584 PolarHBondContact O-N 3.31Å; V580-N584 VanDerWaalsContact O-N 3.08Å; V580-N584 PolarHBondContact O-ND2 3.47Å
581	R	93.2	Very high	95.6	Very high	69 Å²	69	30.3 Å²	30.3	26%	0.26	16%	0.157	S	C	.	.	H	α-helix	trans	-64.7	-46.5	178	-172.5	-170.4	-51.7	-91.1	-5	110.9	Y420 D434 A578 F579 N584 K585	Y420-R581 VanDerWaalsContact CD1-NH1 3.33Å; D434-R581 IonicContact OD1-NH2 2.78Å; D434-R581 IonicContact OD2-CZ 2.95Å; D434-R581 VanDerWaalsContact OD2-CZ 3.27Å; D434-R581 IonicContact OD2-NE 3.27Å; D434-R581 PolarHBondContact OD2-NE 2.94Å; D434-R581 IonicContact OD2-NH2 2.69Å; D434-R581 PolarHBondContact OD2-NH2 3.24Å; A578-R581 HydrophobicContact CB-CB 4.39Å; A578-R581 WeakPolarHBondContact O-CB 3.16Å; A578-R581 PolarHBondContact O-N 3.07Å; A578-R581 VanDerWaalsContact O-N 3.11Å; F579-R581 VanDerWaalsContact C-N 3.34Å; F579-R581 PolarHBondContact O-N 3.02Å; R581-N584 PolarHBondContact O-N 3.43Å; R581-K585 PolarHBondContact O-N 3.48Å
582	N	95.1	Very high	95.6	Very high	49 Å²	49	36 Å²	36	26%	0.262	19%	0.187	S	C	.	.	H	α-helix	trans	-67.6	-37	-179.6	-68.2	-24.6	0	0	0	111.7	P577 A578 F579 K585 V586 L688	P577-N582 PolarHBondContact O-ND2 3.26Å; P577-N582 VanDerWaalsContact O-ND2 3.07Å; A578-N582 PolarHBondContact O-N 2.92Å; A578-N582 PolarHBondContact O-ND2 3.47Å; F579-N582 PolarHBondContact O-N 3.42Å; N582-K585 PolarHBondContact O-N 3.43Å; N582-V586 WeakPolarHBondContact O-CB 3.4Å; N582-V586 VanDerWaalsContact O-CG2 3.26Å; N582-V586 WeakPolarHBondContact O-CG2 3.38Å; N582-V586 PolarHBondContact O-N 3.01Å; N582-L688 HydrophobicContact CB-CD2 3.6Å
583	L	97.4	Very high	95.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61	-49.7	174.4	-177.3	63.8	0	0	0	111.3	L473 F475 L567 F579 K585 V586 I587 I602 I633 L688	L473-L583 HydrophobicContact CD1-CD2 3.9Å; F475-L583 HydrophobicContact CE2-CD2 4.07Å; F475-L583 HydrophobicContact CZ-CD2 4.4Å; L567-L583 HydrophobicContact CD2-CD2 4.13Å; F579-L583 HydrophobicContact CE1-CD2 3.98Å; F579-L583 HydrophobicContact CZ-CD2 3.87Å; F579-L583 VanDerWaalsContact O-CB 3.29Å; F579-L583 WeakPolarHBondContact O-CB 3.48Å; F579-L583 PolarHBondContact O-N 2.86Å; L583-K585 VanDerWaalsContact C-N 3.31Å; L583-K585 PolarHBondContact O-N 2.64Å; L583-V586 PolarHBondContact O-N 3.19Å; L583-I587 HydrophobicContact CD1-CD1 4.11Å; L583-I587 HydrophobicContact CG-CD1 3.89Å; L583-I587 WeakPolarHBondContact O-CB 3.35Å; L583-I587 WeakPolarHBondContact O-CD1 3.42Å; L583-I587 VanDerWaalsContact O-CG1 3.27Å; L583-I587 WeakPolarHBondContact O-CG1 3.46Å; L583-I587 PolarHBondContact O-N 3.32Å; L583-I602 HydrophobicContact CD1-CG2 3.96Å; L583-I633 HydrophobicContact CD1-CD1 4.02Å; L583-L688 HydrophobicContact CB-CD1 3.95Å; L583-L688 HydrophobicContact CD1-CD1 3.92Å
584	N	95.5	Very high	95.9	Very high	50 Å²	50	37.8 Å²	37.8	27%	0.267	20%	0.197	S	C	.	.	H	α-helix	trans	-59.5	-41.4	176.1	-75.2	-35.7	0	0	0	112	V580 R581 I587 N588	V580-N584 PolarHBondContact O-N 3.31Å; V580-N584 VanDerWaalsContact O-N 3.08Å; V580-N584 PolarHBondContact O-ND2 3.47Å; R581-N584 PolarHBondContact O-N 3.43Å; N584-I587 PolarHBondContact O-N 3.45Å; N584-N588 WeakPolarHBondContact O-CB 3.38Å; N584-N588 PolarHBondContact O-N 3.42Å; N584-N588 PolarHBondContact O-ND2 3.05Å
585	K	94.6	Very high	95.8	Very high	63 Å²	63	39.3 Å²	39.3	27%	0.274	22%	0.219	S	C	.	.	H	α-helix	trans	-61.1	-49.2	176.1	-176.3	-169.6	176.7	-157.6	0	111.7	R581 N582 L583 I587 N588 E589 T618 S619	R581-K585 PolarHBondContact O-N 3.48Å; N582-K585 PolarHBondContact O-N 3.43Å; L583-K585 VanDerWaalsContact C-N 3.31Å; L583-K585 PolarHBondContact O-N 2.64Å; K585-I587 VanDerWaalsContact C-N 3.32Å; K585-I587 PolarHBondContact O-N 2.89Å; K585-N588 PolarHBondContact O-N 3.32Å; K585-E589 WeakPolarHBondContact CE-OE1 3.09Å; K585-E589 PolarHBondContact O-N 3.03Å; K585-T618 VanDerWaalsContact CE-OG1 3.28Å; K585-T618 WeakPolarHBondContact CE-OG1 3.43Å; K585-T618 PolarHBondContact NZ-OG1 3.32Å; K585-S619 WeakPolarHBondContact CE-OG 3.11Å; K585-S619 PolarHBondContact NZ-OG 2.68Å
586	V	96.7	Very high	95.5	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-59.9	-42.9	179.9	162.6	0	0	0	0	111.1	N582 L583 A590 L600 L620 A684 L688	N582-V586 WeakPolarHBondContact O-CB 3.4Å; N582-V586 VanDerWaalsContact O-CG2 3.26Å; N582-V586 WeakPolarHBondContact O-CG2 3.38Å; N582-V586 PolarHBondContact O-N 3.01Å; L583-V586 PolarHBondContact O-N 3.19Å; V586-A590 WeakPolarHBondContact O-CB 3.25Å; V586-A590 PolarHBondContact O-N 3.31Å; V586-L600 HydrophobicContact CG1-CD1 3.8Å; V586-L600 HydrophobicContact CG1-CD2 3.56Å; V586-L600 HydrophobicContact CG1-CG 4.29Å; V586-L620 HydrophobicContact CG1-CD2 3.84Å; V586-A684 HydrophobicContact CG1-CB 4.05Å; V586-A684 HydrophobicContact CG2-CB 4.02Å; V586-L688 HydrophobicContact CG2-CD1 4.27Å
587	I	96.8	Very high	95.6	Very high	13 Å²	13	44.2 Å²	44.2	7%	0.067	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-50	176.9	-72.1	165.1	0	0	0	111.3	F475 L583 N584 K585 E589 A590 D591 I633	F475-I587 HydrophobicContact CE1-CD1 4.15Å; F475-I587 HydrophobicContact CE2-CD1 4.12Å; F475-I587 HydrophobicContact CZ-CD1 3.45Å; F475-I587 VanDerWaalsContact CZ-CD1 3.45Å; L583-I587 HydrophobicContact CD1-CD1 4.11Å; L583-I587 HydrophobicContact CG-CD1 3.89Å; L583-I587 WeakPolarHBondContact O-CB 3.35Å; L583-I587 WeakPolarHBondContact O-CD1 3.42Å; L583-I587 VanDerWaalsContact O-CG1 3.27Å; L583-I587 WeakPolarHBondContact O-CG1 3.46Å; L583-I587 PolarHBondContact O-N 3.32Å; N584-I587 PolarHBondContact O-N 3.45Å; K585-I587 VanDerWaalsContact C-N 3.32Å; K585-I587 PolarHBondContact O-N 2.89Å; I587-E589 PolarHBondContact O-N 3.1Å; I587-A590 WeakPolarHBondContact O-CB 3.29Å; I587-A590 PolarHBondContact O-N 3.37Å; I587-A590 VanDerWaalsContact O-N 3.07Å; I587-D591 WeakPolarHBondContact CG2-OD2 3.44Å; I587-D591 PolarHBondContact O-N 2.92Å; I587-I633 HydrophobicContact CD1-CD1 3.91Å; I587-I633 HydrophobicContact CG1-CD1 3.6Å
588	N	95.9	Very high	95.9	Very high	93 Å²	93	42.6 Å²	42.6	50%	0.497	23%	0.232	S	C	.	.	H	α-helix	trans	-61	-45.1	180	-67.9	-19.1	0	0	0	111.2	N584 K585 A590 D591 D592	N584-N588 WeakPolarHBondContact O-CB 3.38Å; N584-N588 PolarHBondContact O-N 3.42Å; N584-N588 PolarHBondContact O-ND2 3.05Å; K585-N588 PolarHBondContact O-N 3.32Å; N588-A590 PolarHBondContact O-N 2.85Å; N588-D591 PolarHBondContact O-N 3.44Å; N588-D592 VanDerWaalsContact O-CB 3.3Å; N588-D592 WeakPolarHBondContact O-CB 3.5Å; N588-D592 VanDerWaalsContact O-CG 3.23Å; N588-D592 PolarHBondContact O-N 3.31Å
589	E	96.9	Very high	96.1	Very high	28 Å²	28	42.3 Å²	42.3	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-34.1	175.7	-72.9	-171.1	173.3	0	0	111.9	K585 I587 N593 T617 T618 S619 L620	K585-E589 WeakPolarHBondContact CE-OE1 3.09Å; K585-E589 PolarHBondContact O-N 3.03Å; I587-E589 PolarHBondContact O-N 3.1Å; E589-N593 VanDerWaalsContact O-CB 3.27Å; E589-N593 WeakPolarHBondContact O-CB 3.4Å; E589-N593 PolarHBondContact O-N 3.08Å; E589-N593 VanDerWaalsContact O-N 3.16Å; E589-N593 PolarHBondContact O-ND2 3.48Å; E589-T617 HydrophobicContact CB-CG2 4.25Å; E589-T617 VanDerWaalsContact OE2-CB 3.31Å; E589-T617 WeakPolarHBondContact OE2-CB 3.18Å; E589-T618 PolarHBondContact OE1-N 2.85Å; E589-T618 VanDerWaalsContact OE1-N 3.12Å; E589-T618 PolarHBondContact OE1-OG1 2.65Å; E589-T618 PolarHBondContact OE2-N 3.45Å; E589-S619 WeakPolarHBondContact OE2-CA 3.25Å; E589-S619 WeakPolarHBondContact OE2-CB 3.29Å; E589-S619 PolarHBondContact OE2-N 2.69Å; E589-L620 VanDerWaalsContact C-CD1 3.45Å; E589-L620 HydrophobicContact CB-CD1 3.65Å; E589-L620 HydrophobicContact CB-CG 4.3Å
590	A	97.7	Very high	96.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-71.6	-47.8	-179.3	0	0	0	0	0	110.8	V586 I587 N588 D592 N593 V594 W597 L600 L620 L682	V586-A590 WeakPolarHBondContact O-CB 3.25Å; V586-A590 PolarHBondContact O-N 3.31Å; I587-A590 WeakPolarHBondContact O-CB 3.29Å; I587-A590 PolarHBondContact O-N 3.37Å; I587-A590 VanDerWaalsContact O-N 3.07Å; N588-A590 PolarHBondContact O-N 2.85Å; A590-D592 VanDerWaalsContact C-N 3.33Å; A590-D592 PolarHBondContact O-N 3Å; A590-N593 PolarHBondContact O-N 3.04Å; A590-V594 PolarHBondContact O-N 3.18Å; A590-W597 HydrophobicContact CB-CD2 4.49Å; A590-W597 HydrophobicContact CB-CZ2 4.39Å; A590-L600 HydrophobicContact CB-CD1 3.62Å; A590-L620 VanDerWaalsContact CA-CD1 3.41Å; A590-L620 HydrophobicContact CB-CD1 3.74Å; A590-L620 HydrophobicContact CB-CD2 4.44Å; A590-L620 VanDerWaalsContact N-CD1 3.26Å; A590-L682 HydrophobicContact CB-CD1 3.81Å
591	D	96.8	Very high	96.3	Very high	67 Å²	67	40.5 Å²	40.5	36%	0.358	22%	0.218	S	C	.	.	H	α-helix	trans	-63.8	-37.5	179.4	-68.7	-22.6	0	0	0	112.1	R565 I587 N588 W597	R565-D591 IonicContact CZ-OD1 3.61Å; R565-D591 IonicContact CZ-OD2 2.88Å; R565-D591 IonicContact NH1-OD1 3.95Å; R565-D591 PolarHBondContact NH1-OD1 3.38Å; R565-D591 IonicContact NH1-OD2 3.81Å; R565-D591 PolarHBondContact NH1-OD2 2.67Å; R565-D591 VanDerWaalsContact NH2-CG 3.33Å; R565-D591 IonicContact NH2-OD1 3.88Å; R565-D591 PolarHBondContact NH2-OD1 2.97Å; R565-D591 IonicContact NH2-OD2 3.82Å; R565-D591 PolarHBondContact NH2-OD2 2.83Å; I587-D591 WeakPolarHBondContact CG2-OD2 3.44Å; I587-D591 PolarHBondContact O-N 2.92Å; N588-D591 PolarHBondContact O-N 3.44Å; D591-W597 PolarHBondContact OD1-NE1 3.4Å
592	D	97.1	Very high	96.6	Very high	133 Å²	133	37.2 Å²	37.2	71%	0.711	21%	0.206	S	C	*	.	H	α-helix	trans	-78.4	-29	-178.7	-71.1	-20	0	0	0	113.7	N588 A590	N588-D592 VanDerWaalsContact O-CB 3.3Å; N588-D592 WeakPolarHBondContact O-CB 3.5Å; N588-D592 VanDerWaalsContact O-CG 3.23Å; N588-D592 PolarHBondContact O-N 3.31Å; A590-D592 VanDerWaalsContact C-N 3.33Å; A590-D592 PolarHBondContact O-N 3Å
593	N	97.5	Very high	96.7	Very high	61 Å²	61	34.9 Å²	34.9	33%	0.326	19%	0.193	S	C	.	.	H	α-helix	trans	-114.9	-17.4	-168.3	-63.4	-85.1	0	0	0	114.9	E589 A590 V614 N616 T617	E589-N593 VanDerWaalsContact O-CB 3.27Å; E589-N593 WeakPolarHBondContact O-CB 3.4Å; E589-N593 PolarHBondContact O-N 3.08Å; E589-N593 VanDerWaalsContact O-N 3.16Å; E589-N593 PolarHBondContact O-ND2 3.48Å; A590-N593 PolarHBondContact O-N 3.04Å; N593-V614 HydrophobicContact CB-CG1 4.44Å; N593-N616 WeakPolarHBondContact OD1-CB 3.35Å; N593-T617 HydrophobicContact CB-CG2 3.76Å
594	V	96.3	Very high	96.6	Very high	12 Å²	12	35.2 Å²	35.2	7%	0.073	20%	0.195	C	C	.	.	S	Bend	trans	-131.1	92.6	-178.4	-170.7	0	0	0	0	109.7	A590 N596 W597 V614 I680 L682	A590-V594 PolarHBondContact O-N 3.18Å; V594-N596 PolarHBondContact O-N 3.15Å; V594-W597 HydrophobicContact CB-CB 4.29Å; V594-W597 HydrophobicContact CG1-CB 3.92Å; V594-W597 VanDerWaalsContact O-CD1 3.24Å; V594-W597 PolarHBondContact O-N 3.35Å; V594-V614 HydrophobicContact CG2-CG1 3.46Å; V594-V614 VanDerWaalsContact CG2-CG1 3.46Å; V594-V614 HydrophobicContact CG2-CG2 4.47Å; V594-I680 HydrophobicContact CG1-CG2 4.13Å; V594-L682 HydrophobicContact CB-CD1 4.06Å; V594-L682 HydrophobicContact CG1-CD1 4.35Å; V594-L682 HydrophobicContact CG1-CD2 4.3Å; V594-L682 HydrophobicContact CG2-CD1 4.06Å; V594-L682 HydrophobicContact CG2-CD2 4.07Å
595	A	92.7	Very high	96.6	Very high	78 Å²	78	36.5 Å²	36.5	65%	0.645	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	132.9	175.8	0	0	0	0	0	111.1	W597	A595-W597 VanDerWaalsContact C-N 3.29Å; A595-W597 PolarHBondContact O-N 3.4Å
596	N	91.4	Very high	96.5	Very high	126 Å²	126	37.8 Å²	37.8	67%	0.674	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	31.8	174.6	-47.1	-48.4	0	0	0	114.9	V594	V594-N596 PolarHBondContact O-N 3.15Å
597	W	97.7	Very high	96.2	Very high	6 Å²	6	41.3 Å²	41.3	2%	0.023	22%	0.218	C	C	.	.			trans	-57.4	145.3	167.1	67.7	-97.4	0	0	0	110.3	A590 D591 V594 A595 L600 I633 N635 I680 L682	A590-W597 HydrophobicContact CB-CD2 4.49Å; A590-W597 HydrophobicContact CB-CZ2 4.39Å; D591-W597 PolarHBondContact OD1-NE1 3.4Å; V594-W597 HydrophobicContact CB-CB 4.29Å; V594-W597 HydrophobicContact CG1-CB 3.92Å; V594-W597 VanDerWaalsContact O-CD1 3.24Å; V594-W597 PolarHBondContact O-N 3.35Å; A595-W597 VanDerWaalsContact C-N 3.29Å; A595-W597 PolarHBondContact O-N 3.4Å; W597-L600 HydrophobicContact CE3-CB 4.01Å; W597-L600 HydrophobicContact CH2-CB 4.11Å; W597-L600 HydrophobicContact CH2-CD1 4.46Å; W597-L600 HydrophobicContact CZ3-CB 3.61Å; W597-I633 HydrophobicContact CH2-CB 4.16Å; W597-I633 HydrophobicContact CH2-CG2 3.63Å; W597-I633 HydrophobicContact CZ3-CB 4.37Å; W597-I633 HydrophobicContact CZ3-CG2 4.14Å; W597-N635 PolarHBondContact O-ND2 2.74Å; W597-I680 HydrophobicContact CB-CG2 4.2Å; W597-L682 HydrophobicContact CB-CD1 3.55Å; W597-L682 HydrophobicContact CB-CG 4.01Å; W597-L682 HydrophobicContact CD2-CD1 4.22Å; W597-L682 HydrophobicContact CG-CD1 3.69Å
598	D	98.4	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.			trans	-107	-42.5	-170.8	-67.2	-48.3	0	0	0	113.5	N635 N637 G638 K641 L679 I680	D598-N635 PolarHBondContact O-N 2.85Å; D598-N635 PolarHBondContact O-OD1 2.85Å; D598-N637 PolarHBondContact OD1-ND2 2.83Å; D598-G638 PolarHBondContact OD1-N 3.06Å; D598-K641 IonicContact OD1-NZ 3.27Å; D598-K641 IonicContact OD2-NZ 2.78Å; D598-K641 PolarHBondContact OD2-NZ 2.9Å; D598-L679 HydrophobicContact CB-CD1 3.53Å; D598-L679 HydrophobicContact CB-CG 4.05Å; D598-I680 PolarHBondContact N-O 3.05Å; D598-I680 PolarHBondContact OD2-N 3.07Å
599	L	98.6	Very high	94.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.3	-175.1	-177.1	149.8	0	0	0	109.3	Y601 Y632 I633 L634 L658 L679 I680 A681 L682	L599-Y601 HydrophobicContact CD2-CD1 4.29Å; L599-Y601 HydrophobicContact CD2-CD2 3.46Å; L599-Y601 VanDerWaalsContact CD2-CD2 3.46Å; L599-Y601 HydrophobicContact CD2-CE1 4.21Å; L599-Y601 HydrophobicContact CD2-CE2 3.36Å; L599-Y601 HydrophobicContact CD2-CG 3.94Å; L599-Y632 HydrophobicContact CD1-CD2 4.02Å; L599-Y632 HydrophobicContact CD1-CE2 4.34Å; L599-Y632 HydrophobicContact CG-CD2 4.17Å; L599-I633 CarbonylContact C-O 3.55Å; L599-I633 WeakPolarHBondContact CA-O 3.43Å; L599-L634 HydrophobicContact CB-CD1 4.35Å; L599-L634 HydrophobicContact CD1-CD1 4.37Å; L599-L658 HydrophobicContact CD1-CD1 4.13Å; L599-L658 HydrophobicContact CD1-CD2 3.89Å; L599-L658 HydrophobicContact CD1-CG 4.5Å; L599-L679 HydrophobicContact CB-CD2 4.18Å; L599-L679 HydrophobicContact CB-CG 4.49Å; L599-L679 HydrophobicContact CD1-CD2 4.17Å; L599-I680 PolarHBondContact N-O 3.1Å; L599-A681 HydrophobicContact CD2-CB 4.33Å; L599-A681 CarbonylContact O-C 3.55Å; L599-A681 WeakPolarHBondContact O-CA 3.4Å; L599-L682 PolarHBondContact O-N 3.3Å
600	L	98.6	Very high	94.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	110.9	175.9	-169.5	163.1	0	0	0	109.9	V586 A590 W597 I602 L620 Y632 I633 L682	V586-L600 HydrophobicContact CG1-CD1 3.8Å; V586-L600 HydrophobicContact CG1-CD2 3.56Å; V586-L600 HydrophobicContact CG1-CG 4.29Å; A590-L600 HydrophobicContact CB-CD1 3.62Å; W597-L600 HydrophobicContact CE3-CB 4.01Å; W597-L600 HydrophobicContact CH2-CB 4.11Å; W597-L600 HydrophobicContact CH2-CD1 4.46Å; W597-L600 HydrophobicContact CZ3-CB 3.61Å; L600-I602 HydrophobicContact CD2-CG2 3.73Å; L600-L620 HydrophobicContact CD1-CD2 3.97Å; L600-L620 HydrophobicContact CG-CD2 4.42Å; L600-Y632 CarbonylContact O-C 3.03Å; L600-Y632 VanDerWaalsContact O-CA 3.27Å; L600-Y632 WeakPolarHBondContact O-CA 3.24Å; L600-Y632 WeakPolarHBondContact O-CB 3.34Å; L600-I633 HydrophobicContact CB-CB 4.21Å; L600-I633 HydrophobicContact CD2-CD1 4.24Å; L600-I633 PolarHBondContact N-O 2.67Å; L600-I633 PolarHBondContact O-N 3.36Å; L600-L682 CarbonylContact C-O 3.48Å; L600-L682 WeakPolarHBondContact CA-O 3.21Å; L600-L682 HydrophobicContact CB-CB 4.31Å; L600-L682 HydrophobicContact CD1-CB 4.43Å; L600-L682 HydrophobicContact CG-CB 4.02Å
601	Y	98.5	Very high	94.1	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	132.5	174.5	-74	-75.5	0	0	0	112	L599 R604 P623 T626 L658 F662 L682 S683 A684	L599-Y601 HydrophobicContact CD2-CD1 4.29Å; L599-Y601 HydrophobicContact CD2-CD2 3.46Å; L599-Y601 VanDerWaalsContact CD2-CD2 3.46Å; L599-Y601 HydrophobicContact CD2-CE1 4.21Å; L599-Y601 HydrophobicContact CD2-CE2 3.36Å; L599-Y601 HydrophobicContact CD2-CG 3.94Å; Y601-R604 HydrophobicContact CD1-CB 4.12Å; Y601-R604 HydrophobicContact CG-CB 4.48Å; Y601-P623 HydrophobicContact CD2-CB 4.46Å; Y601-P623 HydrophobicContact CD2-CG 4.33Å; Y601-T626 HydrophobicContact CE2-CG2 4.17Å; Y601-L658 HydrophobicContact CE1-CD1 4.25Å; Y601-L658 WeakPolarHBondContact OH-CB 3.44Å; Y601-L658 VanDerWaalsContact OH-CD1 3.29Å; Y601-L658 WeakPolarHBondContact OH-CD1 3.39Å; Y601-F662 AromaticContact CE2-CE1 3.83Å; Y601-F662 HydrophobicContact CE2-CE1 3.83Å; Y601-F662 HydrophobicContact CE2-CZ 4.16Å; Y601-L682 PolarHBondContact N-O 3.22Å; Y601-S683 CarbonylContact O-C 3.52Å; Y601-S683 WeakPolarHBondContact O-CA 3.42Å; Y601-A684 PolarHBondContact O-N 2.62Å
602	I	98.3	Very high	94	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-15.8	170.3	62.9	160	0	0	0	112.5	L567 L569 F579 L583 L600 G631 I633 L688 V689	L567-I602 HydrophobicContact CD1-CD1 3.68Å; L567-I602 HydrophobicContact CD1-CG1 4.42Å; L569-I602 HydrophobicContact CD2-CD1 3.8Å; F579-I602 HydrophobicContact CE2-CD1 4.06Å; F579-I602 HydrophobicContact CZ-CD1 4.15Å; L583-I602 HydrophobicContact CD1-CG2 3.96Å; L600-I602 HydrophobicContact CD2-CG2 3.73Å; I602-G631 VanDerWaalsContact CG1-C 3.4Å; I602-G631 VanDerWaalsContact CG1-O 3.23Å; I602-G631 WeakPolarHBondContact CG1-O 3.42Å; I602-G631 PolarHBondContact N-O 3.05Å; I602-I633 HydrophobicContact CG2-CD1 4.5Å; I602-L688 HydrophobicContact CB-CB 4.23Å; I602-L688 HydrophobicContact CB-CD1 4.33Å; I602-L688 HydrophobicContact CB-CG 4.4Å; I602-L688 HydrophobicContact CG2-CD1 4.09Å; I602-L688 PolarHBondContact O-N 2.82Å; I602-V689 HydrophobicContact CD1-CG1 4.35Å; I602-V689 HydrophobicContact CD1-CG2 4.41Å; I602-V689 HydrophobicContact CG1-CG2 4.26Å; I602-V689 PolarHBondContact O-N 3.4Å; I602-V689 VanDerWaalsContact O-N 3.16Å
603	G	97.7	Very high	93.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	130.1	170.3	0	0	0	0	0	111.2	G631 V689	G603-G631 PolarHBondContact N-O 2.89Å; G603-G631 VanDerWaalsContact N-O 3.07Å; G603-G631 PolarHBondContact O-N 3.2Å; G603-V689 WeakPolarHBondContact CA-O 3.33Å
604	R	96	Very high	93.9	Very high	7 Å²	7	55.3 Å²	55.3	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	165.9	-178.4	68	-173.7	176.3	88	4.5	111	Y601 E611 T626 Y627 S683 L687	Y601-R604 HydrophobicContact CD1-CB 4.12Å; Y601-R604 HydrophobicContact CG-CB 4.48Å; R604-E611 IonicContact CZ-OE1 3.08Å; R604-E611 IonicContact CZ-OE2 3.95Å; R604-E611 IonicContact NH1-OE1 3.41Å; R604-E611 PolarHBondContact NH1-OE1 2.82Å; R604-E611 IonicContact NH1-OE2 3.45Å; R604-E611 IonicContact NH2-OE1 3.89Å; R604-E611 PolarHBondContact NH2-OE1 3.49Å; R604-E611 IonicContact NH2-OE2 2.99Å; R604-E611 PolarHBondContact NH2-OE2 3.24Å; R604-T626 WeakPolarHBondContact CD-OG1 3.4Å; R604-T626 WeakPolarHBondContact CG-OG1 3.31Å; R604-T626 PolarHBondContact NH1-OG1 2.96Å; R604-Y627 WeakPolarHBondContact CB-O 3.39Å; R604-S683 PolarHBondContact NE-OG 3.02Å; R604-S683 PolarHBondContact NH2-OG 2.73Å; R604-S683 VanDerWaalsContact NH2-OG 3.1Å; R604-L687 HydrophobicContact CG-CD1 4.3Å; R604-L687 HydrophobicContact CG-CD2 4.14Å; R604-L687 WeakPolarHBondContact O-CD1 3.22Å
605	K	94.8	Very high	93.9	Very high	76 Å²	76	58.8 Å²	58.8	33%	0.33	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	111.3	168.7	179.1	-177.8	-173.9	-177.5	0	111.4	M607 T626 Y627 W628	K605-M607 HydrophobicContact CD-SD 4.08Å; K605-M607 HydrophobicContact CG-SD 4.03Å; K605-M607 PolarHBondContact O-N 3.38Å; K605-T626 WeakPolarHBondContact O-CA 3.41Å; K605-T626 PolarHBondContact O-OG1 3.41Å; K605-Y627 PolarHBondContact N-O 3.13Å; K605-Y627 PolarHBondContact O-N 3.41Å; K605-W628 HydrophobicContact CB-CD2 3.45Å; K605-W628 VanDerWaalsContact CB-CD2 3.45Å; K605-W628 HydrophobicContact CB-CE3 3.48Å; K605-W628 VanDerWaalsContact CB-CE3 3.48Å; K605-W628 HydrophobicContact CB-CG 3.97Å; K605-W628 HydrophobicContact CB-CH2 4.11Å; K605-W628 HydrophobicContact CB-CZ2 4.13Å; K605-W628 HydrophobicContact CB-CZ3 3.8Å; K605-W628 HydrophobicContact CD-CD2 4.37Å; K605-W628 HydrophobicContact CD-CH2 4.15Å; K605-W628 HydrophobicContact CD-CZ2 3.71Å; K605-W628 HydrophobicContact CG-CD2 4.49Å; K605-W628 HydrophobicContact CG-CH2 4.35Å; K605-W628 HydrophobicContact CG-CZ2 4.34Å; K605-W628 HydrophobicContact CG-CZ3 4.45Å
606	R	92.5	Very high	94	Very high	91 Å²	91	62.3 Å²	62.3	34%	0.343	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.7	176.4	-51.8	-178.1	-174.5	-179.7	0.2	110.4	E685	R606-E685 IonicContact CZ-OE1 3.07Å; R606-E685 IonicContact CZ-OE2 3.53Å; R606-E685 VanDerWaalsContact NH1-CD 3.31Å; R606-E685 IonicContact NH1-OE1 3.5Å; R606-E685 PolarHBondContact NH1-OE1 2.74Å; R606-E685 VanDerWaalsContact NH1-OE1 3.08Å; R606-E685 IonicContact NH1-OE2 2.85Å; R606-E685 PolarHBondContact NH1-OE2 2.72Å; R606-E685 IonicContact NH2-OE1 3.55Å; R606-E685 PolarHBondContact NH2-OE1 2.9Å; R606-E685 IonicContact NH2-OE2 3.59Å; R606-E685 PolarHBondContact NH2-OE2 2.83Å
607	M	90.8	Very high	94.2	Very high	76 Å²	76	56.7 Å²	56.7	37%	0.374	27%	0.272	S	S	.	.			trans	-101.8	-15.7	174.1	-60.2	-54.6	-65.7	0	0	113.1	Y535 K605 Y625 Y627	Y535-M607 WeakPolarHBondContact OH-CE 3.33Å; K605-M607 HydrophobicContact CD-SD 4.08Å; K605-M607 HydrophobicContact CG-SD 4.03Å; K605-M607 PolarHBondContact O-N 3.38Å; M607-Y625 HydrophobicContact CB-CD1 3.75Å; M607-Y625 HydrophobicContact CB-CE1 4.41Å; M607-Y625 HydrophobicContact CB-CG 4.45Å; M607-Y625 WeakPolarHBondContact CB-O 3.42Å; M607-Y625 HydrophobicContact CG-CD1 4Å; M607-Y625 HydrophobicContact CG-CE1 4.24Å; M607-Y625 PolarHBondContact N-O 2.94Å; M607-Y627 HydrophobicContact CE-CD2 4.2Å; M607-Y627 HydrophobicContact CE-CE2 4.08Å; M607-Y627 HydrophobicContact CG-CD2 3.48Å; M607-Y627 VanDerWaalsContact CG-CD2 3.48Å; M607-Y627 HydrophobicContact CG-CE2 3.91Å; M607-Y627 HydrophobicContact SD-CD2 3.57Å; M607-Y627 VanDerWaalsContact SD-CD2 3.57Å; M607-Y627 HydrophobicContact SD-CE2 4.07Å
608	S	84.3	Confident	94	Very high	26 Å²	26	60.2 Å²	60.2	18%	0.182	29%	0.294	C	S	.	.			trans	-114.5	146	178.9	-172.2	0	0	0	0	111.6	S610 D624	S608-S610 PolarHBondContact OG-N 3.41Å; S608-S610 PolarHBondContact OG-OG 3.21Å; S608-D624 VanDerWaalsContact CB-OD2 3.22Å; S608-D624 WeakPolarHBondContact CB-OD2 3.47Å; S608-D624 PolarHBondContact OG-OD2 3.05Å
609	K	80.2	Confident	93.8	Very high	224 Å²	224	60.8 Å²	60.8	97%	0.974	30%	0.298	S	S	*	.	S	Bend	trans	-96.8	-2.1	171.3	-64.5	-175.5	-179.9	-180	0	112.8
610	S	84.6	Confident	93.7	Very high	81 Å²	81	60.8 Å²	60.8	57%	0.566	30%	0.298	S	S	*	.			trans	-104.4	17.9	-170.3	62.1	0	0	0	0	114.2	S608	S608-S610 PolarHBondContact OG-N 3.41Å; S608-S610 PolarHBondContact OG-OG 3.21Å
611	E	93	Very high	93.7	Very high	35 Å²	35	61 Å²	61	16%	0.164	30%	0.3	C	S	.	.			trans	-60	141.1	176.8	-66.5	-176.7	165.2	0	0	111.7	R604 T621 D624	R604-E611 IonicContact CZ-OE1 3.08Å; R604-E611 IonicContact CZ-OE2 3.95Å; R604-E611 IonicContact NH1-OE1 3.41Å; R604-E611 PolarHBondContact NH1-OE1 2.82Å; R604-E611 IonicContact NH1-OE2 3.45Å; R604-E611 IonicContact NH2-OE1 3.89Å; R604-E611 PolarHBondContact NH2-OE1 3.49Å; R604-E611 IonicContact NH2-OE2 2.99Å; R604-E611 PolarHBondContact NH2-OE2 3.24Å; E611-T621 HydrophobicContact CB-CG2 4.48Å; E611-D624 HydrophobicContact CG-CB 3.82Å; E611-D624 PolarHBondContact OE1-N 3.42Å
612	K	94.3	Very high	93.6	Very high	160 Å²	160	65.3 Å²	65.3	70%	0.696	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	124.3	-174.8	-65.3	-177.9	-177.6	178.3	0	109.7	T621 Y622	K612-T621 PolarHBondContact O-OG1 3.33Å; K612-Y622 PolarHBondContact O-N 3.21Å
613	R	96.3	Very high	93.5	Very high	162 Å²	162	65.6 Å²	65.6	61%	0.611	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.7	139.3	170.4	-177.1	175.4	-71	167.2	-0.8	110.8	T617 L620	R613-T617 WeakPolarHBondContact CD-O 3.26Å; R613-L620 WeakPolarHBondContact CA-O 3.29Å; R613-L620 WeakPolarHBondContact CG-O 3.42Å
614	V	97.2	Very high	93.4	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.006	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-66.9	132.3	172.4	178.8	0	0	0	0	108.9	N593 V594 N616 T617 L620 Y622 L682	N593-V614 HydrophobicContact CB-CG1 4.44Å; V594-V614 HydrophobicContact CG2-CG1 3.46Å; V594-V614 VanDerWaalsContact CG2-CG1 3.46Å; V594-V614 HydrophobicContact CG2-CG2 4.47Å; V614-N616 PolarHBondContact O-N 2.94Å; V614-T617 HydrophobicContact CB-CG2 3.86Å; V614-T617 HydrophobicContact CG1-CG2 3.69Å; V614-T617 PolarHBondContact O-N 3.34Å; V614-T617 PolarHBondContact O-OG1 3.02Å; V614-L620 HydrophobicContact CB-CB 3.96Å; V614-L620 HydrophobicContact CG2-CB 3.73Å; V614-L620 PolarHBondContact N-O 3.49Å; V614-Y622 HydrophobicContact CB-CE2 4.28Å; V614-Y622 HydrophobicContact CG1-CE2 4.46Å; V614-Y622 HydrophobicContact CG2-CD2 4.05Å; V614-Y622 HydrophobicContact CG2-CE1 4.29Å; V614-Y622 HydrophobicContact CG2-CE2 3.81Å; V614-Y622 HydrophobicContact CG2-CG 4.4Å; V614-L682 HydrophobicContact CG2-CD2 3.91Å
615	P	96	Very high	93.3	Very high	84 Å²	84	68.5 Å²	68.5	55%	0.545	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	141.7	178.6	-26.7	35.2	0	0	0	112.8	T617	P615-T617 PolarHBondContact O-N 2.94Å
616	N	95.2	Very high	93.3	Very high	152 Å²	152	65 Å²	65	81%	0.813	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	8.3	178.6	-48.2	-46	0	0	0	116.5	N593 V614	N593-N616 WeakPolarHBondContact OD1-CB 3.35Å; V614-N616 PolarHBondContact O-N 2.94Å
617	T	95.3	Very high	93.3	Very high	8 Å²	8	61.2 Å²	61.2	5%	0.049	30%	0.303	C	S	.	.			trans	-107.6	162.1	177.7	74.6	0	0	0	0	111.2	E589 N593 R613 V614 P615 L620	E589-T617 HydrophobicContact CB-CG2 4.25Å; E589-T617 VanDerWaalsContact OE2-CB 3.31Å; E589-T617 WeakPolarHBondContact OE2-CB 3.18Å; N593-T617 HydrophobicContact CB-CG2 3.76Å; R613-T617 WeakPolarHBondContact CD-O 3.26Å; V614-T617 HydrophobicContact CB-CG2 3.86Å; V614-T617 HydrophobicContact CG1-CG2 3.69Å; V614-T617 PolarHBondContact O-N 3.34Å; V614-T617 PolarHBondContact O-OG1 3.02Å; P615-T617 PolarHBondContact O-N 2.94Å; T617-L620 HydrophobicContact CG2-CB 4.25Å; T617-L620 HydrophobicContact CG2-CD1 4Å; T617-L620 PolarHBondContact OG1-O 2.98Å
618	T	93.1	Very high	93.3	Very high	80 Å²	80	60.7 Å²	60.7	49%	0.491	30%	0.297	S	S	.	.	S	Bend	trans	-113.8	-17.5	172.4	61.2	0	0	0	0	112.6	K585 E589	K585-T618 VanDerWaalsContact CE-OG1 3.28Å; K585-T618 WeakPolarHBondContact CE-OG1 3.43Å; K585-T618 PolarHBondContact NZ-OG1 3.32Å; E589-T618 PolarHBondContact OE1-N 2.85Å; E589-T618 VanDerWaalsContact OE1-N 3.12Å; E589-T618 PolarHBondContact OE1-OG1 2.65Å; E589-T618 PolarHBondContact OE2-N 3.45Å
619	S	94.6	Very high	93.6	Very high	12 Å²	12	59.6 Å²	59.6	8%	0.084	29%	0.289	C	S	.	.	S	Bend	trans	-125.6	13.7	-169.8	-66.1	0	0	0	0	114.5	K585 E589 A684 E685	K585-S619 WeakPolarHBondContact CE-OG 3.11Å; K585-S619 PolarHBondContact NZ-OG 2.68Å; E589-S619 WeakPolarHBondContact OE2-CA 3.25Å; E589-S619 WeakPolarHBondContact OE2-CB 3.29Å; E589-S619 PolarHBondContact OE2-N 2.69Å; S619-A684 CarbonylContact O-C 3.51Å; S619-A684 WeakPolarHBondContact O-CA 3.44Å; S619-E685 WeakPolarHBondContact CA-O 3.39Å; S619-E685 PolarHBondContact O-N 2.79Å
620	L	97.2	Very high	94.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.3	-178.7	-68.5	170.9	0	0	0	114	V586 E589 A590 L600 R613 V614 T617 S683	V586-L620 HydrophobicContact CG1-CD2 3.84Å; E589-L620 VanDerWaalsContact C-CD1 3.45Å; E589-L620 HydrophobicContact CB-CD1 3.65Å; E589-L620 HydrophobicContact CB-CG 4.3Å; A590-L620 VanDerWaalsContact CA-CD1 3.41Å; A590-L620 HydrophobicContact CB-CD1 3.74Å; A590-L620 HydrophobicContact CB-CD2 4.44Å; A590-L620 VanDerWaalsContact N-CD1 3.26Å; L600-L620 HydrophobicContact CD1-CD2 3.97Å; L600-L620 HydrophobicContact CG-CD2 4.42Å; R613-L620 WeakPolarHBondContact CA-O 3.29Å; R613-L620 WeakPolarHBondContact CG-O 3.42Å; V614-L620 HydrophobicContact CB-CB 3.96Å; V614-L620 HydrophobicContact CG2-CB 3.73Å; V614-L620 PolarHBondContact N-O 3.49Å; T617-L620 HydrophobicContact CG2-CB 4.25Å; T617-L620 HydrophobicContact CG2-CD1 4Å; T617-L620 PolarHBondContact OG1-O 2.98Å; L620-S683 WeakPolarHBondContact CA-O 3.49Å
621	T	97	Very high	95	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	155.5	171.9	-164.6	0	0	0	0	110.9	E611 K612 S683	E611-T621 HydrophobicContact CB-CG2 4.48Å; K612-T621 PolarHBondContact O-OG1 3.33Å; T621-S683 PolarHBondContact N-O 3Å; T621-S683 PolarHBondContact O-N 2.84Å
622	Y	97.2	Very high	95.3	Very high	92 Å²	92	43.7 Å²	43.7	36%	0.361	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	116.9	165.4	-67.4	-72.3	0	0	0	108.5	K612 V614 L682	K612-Y622 PolarHBondContact O-N 3.21Å; V614-Y622 HydrophobicContact CB-CE2 4.28Å; V614-Y622 HydrophobicContact CG1-CE2 4.46Å; V614-Y622 HydrophobicContact CG2-CD2 4.05Å; V614-Y622 HydrophobicContact CG2-CE1 4.29Å; V614-Y622 HydrophobicContact CG2-CE2 3.81Å; V614-Y622 HydrophobicContact CG2-CG 4.4Å; Y622-L682 HydrophobicContact CD1-CD2 3.85Å; Y622-L682 HydrophobicContact CE1-CD2 3.67Å
623	P	96.6	Very high	95.5	Very high	5 Å²	5	36 Å²	36	3%	0.032	18%	0.176	C	C	.	.			trans	-65.4	145.4	179.3	29	-33.2	0	0	0	110.3	Y601 F662 A681	Y601-P623 HydrophobicContact CD2-CB 4.46Å; Y601-P623 HydrophobicContact CD2-CG 4.33Å; P623-F662 HydrophobicContact CG-CE2 4.33Å; P623-F662 HydrophobicContact CG-CZ 4.49Å; P623-A681 VanDerWaalsContact CD-O 3.26Å; P623-A681 WeakPolarHBondContact CD-O 3.41Å; P623-A681 HydrophobicContact CG-CB 3.71Å
624	D	95.1	Very high	95.6	Very high	39 Å²	39	28.3 Å²	28.3	21%	0.209	15%	0.147	C	C	.	.			trans	-98.3	-162.4	165	-156	-9.4	0	0	0	108.7	S608 E611 T626	S608-D624 VanDerWaalsContact CB-OD2 3.22Å; S608-D624 WeakPolarHBondContact CB-OD2 3.47Å; S608-D624 PolarHBondContact OG-OD2 3.05Å; E611-D624 HydrophobicContact CG-CB 3.82Å; E611-D624 PolarHBondContact OE1-N 3.42Å; D624-T626 PolarHBondContact O-N 3.37Å
625	Y	94.6	Very high	95.7	Very high	30 Å²	30	29.4 Å²	29.4	12%	0.118	15%	0.153	C	C	.	.	S	Bend	trans	-49.8	134	170.5	-174.2	-128.9	0	0	0	111.9	M607 Y627 E656 P659 K664 H665 P666	M607-Y625 HydrophobicContact CB-CD1 3.75Å; M607-Y625 HydrophobicContact CB-CE1 4.41Å; M607-Y625 HydrophobicContact CB-CG 4.45Å; M607-Y625 WeakPolarHBondContact CB-O 3.42Å; M607-Y625 HydrophobicContact CG-CD1 4Å; M607-Y625 HydrophobicContact CG-CE1 4.24Å; M607-Y625 PolarHBondContact N-O 2.94Å; Y625-Y627 AromaticContact CE1-CE2 3.79Å; Y625-Y627 HydrophobicContact CE1-CE2 3.79Å; Y625-Y627 AromaticContact CZ-CE2 3.85Å; Y625-Y627 AromaticContact CZ-CZ 3.73Å; Y625-Y627 PolarHBondContact OH-OH 3.23Å; Y625-E656 VanDerWaalsContact CE2-OE2 3.25Å; Y625-E656 WeakPolarHBondContact CE2-OE2 3.38Å; Y625-E656 VanDerWaalsContact OH-CD 3.26Å; Y625-E656 PolarHBondContact OH-OE1 2.98Å; Y625-E656 VanDerWaalsContact OH-OE1 3.06Å; Y625-E656 PolarHBondContact OH-OE2 3.41Å; Y625-P659 HydrophobicContact CD2-CB 3.89Å; Y625-P659 HydrophobicContact CD2-CG 4.16Å; Y625-P659 HydrophobicContact CE2-CB 4.31Å; Y625-P659 HydrophobicContact CE2-CG 4.35Å; Y625-K664 WeakPolarHBondContact CB-O 3.49Å; Y625-H665 AromaticContact CE2-CD2 3.58Å; Y625-H665 AromaticContact CE2-NE2 3.8Å; Y625-P666 HydrophobicContact CD1-CG 4.14Å; Y625-P666 VanDerWaalsContact CD2-CD 3.48Å; Y625-P666 HydrophobicContact CD2-CG 4.44Å; Y625-P666 HydrophobicContact CE1-CG 3.95Å; Y625-P666 HydrophobicContact CE2-CG 4.31Å; Y625-P666 HydrophobicContact CG-CG 4.35Å
626	T	94.8	Very high	95.8	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.9	-170.6	-161	0	0	0	0	110.2	Y601 R604 K605 D624 P659 F662	Y601-T626 HydrophobicContact CE2-CG2 4.17Å; R604-T626 WeakPolarHBondContact CD-OG1 3.4Å; R604-T626 WeakPolarHBondContact CG-OG1 3.31Å; R604-T626 PolarHBondContact NH1-OG1 2.96Å; K605-T626 WeakPolarHBondContact O-CA 3.41Å; K605-T626 PolarHBondContact O-OG1 3.41Å; D624-T626 PolarHBondContact O-N 3.37Å; T626-P659 HydrophobicContact CG2-CG 4.21Å; T626-P659 WeakPolarHBondContact O-CG 2.96Å; T626-F662 HydrophobicContact CG2-CZ 4.17Å
627	Y	91.2	Very high	95.9	Very high	13 Å²	13	24.8 Å²	24.8	5%	0.051	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	174.2	170	-77.7	-73.4	0	0	0	111.3	Y535 R604 K605 M607 Y625 D655 E656	Y535-Y627 HydrophobicContact CE2-CD2 4.23Å; Y535-Y627 HydrophobicContact CE2-CE1 4.13Å; Y535-Y627 AromaticContact CE2-CE2 3.48Å; Y535-Y627 HydrophobicContact CE2-CE2 3.48Å; Y535-Y627 VanDerWaalsContact CE2-CE2 3.48Å; Y535-Y627 AromaticContact CE2-CZ 3.42Å; Y535-Y627 VanDerWaalsContact CE2-CZ 3.42Å; Y535-Y627 WeakPolarHBondContact CE2-OH 3.16Å; Y535-Y627 AromaticContact CZ-CE2 3.79Å; Y535-Y627 VanDerWaalsContact OH-CE2 3.29Å; Y535-Y627 WeakPolarHBondContact OH-CE2 3.37Å; R604-Y627 WeakPolarHBondContact CB-O 3.39Å; K605-Y627 PolarHBondContact N-O 3.13Å; K605-Y627 PolarHBondContact O-N 3.41Å; M607-Y627 HydrophobicContact CE-CD2 4.2Å; M607-Y627 HydrophobicContact CE-CE2 4.08Å; M607-Y627 HydrophobicContact CG-CD2 3.48Å; M607-Y627 VanDerWaalsContact CG-CD2 3.48Å; M607-Y627 HydrophobicContact CG-CE2 3.91Å; M607-Y627 HydrophobicContact SD-CD2 3.57Å; M607-Y627 VanDerWaalsContact SD-CD2 3.57Å; M607-Y627 HydrophobicContact SD-CE2 4.07Å; Y625-Y627 AromaticContact CE1-CE2 3.79Å; Y625-Y627 HydrophobicContact CE1-CE2 3.79Å; Y625-Y627 AromaticContact CZ-CE2 3.85Å; Y625-Y627 AromaticContact CZ-CZ 3.73Å; Y625-Y627 PolarHBondContact OH-OH 3.23Å; Y627-D655 HydrophobicContact CD1-CB 4.49Å; Y627-D655 WeakPolarHBondContact CD1-OD2 3.34Å; Y627-E656 VanDerWaalsContact CE1-CD 3.49Å; Y627-E656 HydrophobicContact CE1-CG 4.36Å; Y627-E656 WeakPolarHBondContact CE1-OE1 3.39Å; Y627-E656 VanDerWaalsContact CZ-OE1 3.32Å; Y627-E656 PolarHBondContact OH-OE1 2.95Å
628	W	92.2	Very high	96	Very high	64 Å²	64	24.4 Å²	24.4	24%	0.242	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66	151.4	177.8	-51	-20.4	0	0	0	114.8	K605 L630 D655 P691 Y694	K605-W628 HydrophobicContact CB-CD2 3.45Å; K605-W628 VanDerWaalsContact CB-CD2 3.45Å; K605-W628 HydrophobicContact CB-CE3 3.48Å; K605-W628 VanDerWaalsContact CB-CE3 3.48Å; K605-W628 HydrophobicContact CB-CG 3.97Å; K605-W628 HydrophobicContact CB-CH2 4.11Å; K605-W628 HydrophobicContact CB-CZ2 4.13Å; K605-W628 HydrophobicContact CB-CZ3 3.8Å; K605-W628 HydrophobicContact CD-CD2 4.37Å; K605-W628 HydrophobicContact CD-CH2 4.15Å; K605-W628 HydrophobicContact CD-CZ2 3.71Å; K605-W628 HydrophobicContact CG-CD2 4.49Å; K605-W628 HydrophobicContact CG-CH2 4.35Å; K605-W628 HydrophobicContact CG-CZ2 4.34Å; K605-W628 HydrophobicContact CG-CZ3 4.45Å; W628-L630 HydrophobicContact CB-CG 4.22Å; W628-L630 HydrophobicContact CE3-CD1 3.81Å; W628-L630 HydrophobicContact CE3-CG 4.38Å; W628-L630 HydrophobicContact CZ3-CD1 4.44Å; W628-D655 PolarHBondContact N-OD2 3.07Å; W628-P691 HydrophobicContact CH2-CG 4.04Å; W628-P691 HydrophobicContact CZ3-CG 3.74Å; W628-Y694 AromaticContact CH2-CD1 3.8Å; W628-Y694 HydrophobicContact CH2-CD1 3.8Å; W628-Y694 AromaticContact CH2-CE1 3.8Å; W628-Y694 HydrophobicContact CH2-CE1 3.8Å; W628-Y694 HydrophobicContact CZ3-CD1 4.45Å; W628-Y694 HydrophobicContact CZ3-CE1 4.01Å
629	T	90.4	Very high	96.3	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.018	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	25.1	179.8	40.5	0	0	0	0	112.9	E570 G631 Y632 I654 D655 L658	E570-T629 WeakPolarHBondContact OE1-CB 3.32Å; E570-T629 PolarHBondContact OE1-OG1 3.38Å; T629-G631 PolarHBondContact O-N 3.25Å; T629-Y632 HydrophobicContact CG2-CE1 4.4Å; T629-I654 HydrophobicContact CG2-CG1 4.15Å; T629-I654 HydrophobicContact CG2-CG2 4.21Å; T629-D655 HydrophobicContact CG2-CB 4.39Å; T629-L658 HydrophobicContact CG2-CD1 3.75Å
630	L	96.3	Very high	96.5	Very high	6 Å²	6	24 Å²	24	3%	0.031	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-38.4	-45	-178	-62.9	173	0	0	0	113.6	E570 L573 W628 V689 P691	E570-L630 PolarHBondContact N-O 3.26Å; L573-L630 WeakPolarHBondContact CD2-O 3.12Å; W628-L630 HydrophobicContact CB-CG 4.22Å; W628-L630 HydrophobicContact CE3-CD1 3.81Å; W628-L630 HydrophobicContact CE3-CG 4.38Å; W628-L630 HydrophobicContact CZ3-CD1 4.44Å; L630-V689 HydrophobicContact CB-CG2 4.22Å; L630-P691 HydrophobicContact CD1-CB 4.44Å; L630-P691 HydrophobicContact CD2-CB 4.29Å
631	G	98.1	Very high	96.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	142	167.6	0	0	0	0	0	113.8	I568 I602 G603 T629	I568-G631 CarbonylContact O-C 3.53Å; I568-G631 WeakPolarHBondContact O-CA 3.44Å; I602-G631 VanDerWaalsContact CG1-C 3.4Å; I602-G631 VanDerWaalsContact CG1-O 3.23Å; I602-G631 WeakPolarHBondContact CG1-O 3.42Å; I602-G631 PolarHBondContact N-O 3.05Å; G603-G631 PolarHBondContact N-O 2.89Å; G603-G631 VanDerWaalsContact N-O 3.07Å; G603-G631 PolarHBondContact O-N 3.2Å; T629-G631 PolarHBondContact O-N 3.25Å
632	Y	98.6	Very high	96.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	153.8	175.3	64.3	-86	0	0	0	112.4	H551 W555 I568 L599 L600 T629 L634	H551-Y632 AromaticContact CE1-CE1 3.7Å; H551-Y632 AromaticContact ND1-CE1 3.65Å; H551-Y632 AromaticContact ND1-CZ 3.73Å; H551-Y632 PolarHBondContact ND1-OH 3.2Å; W555-Y632 PolarHBondContact NE1-OH 3.24Å; I568-Y632 HydrophobicContact CB-CE1 4.27Å; I568-Y632 HydrophobicContact CD1-CE1 4.45Å; I568-Y632 HydrophobicContact CD1-CE2 3.67Å; I568-Y632 WeakPolarHBondContact CD1-OH 3.35Å; I568-Y632 HydrophobicContact CG2-CE1 4.31Å; I568-Y632 PolarHBondContact N-O 2.82Å; I568-Y632 PolarHBondContact O-N 3.03Å; L599-Y632 HydrophobicContact CD1-CD2 4.02Å; L599-Y632 HydrophobicContact CD1-CE2 4.34Å; L599-Y632 HydrophobicContact CG-CD2 4.17Å; L600-Y632 CarbonylContact O-C 3.03Å; L600-Y632 VanDerWaalsContact O-CA 3.27Å; L600-Y632 WeakPolarHBondContact O-CA 3.24Å; L600-Y632 WeakPolarHBondContact O-CB 3.34Å; T629-Y632 HydrophobicContact CG2-CE1 4.4Å; Y632-L634 HydrophobicContact CD2-CB 4.22Å; Y632-L634 HydrophobicContact CE2-CB 4.06Å; Y632-L634 HydrophobicContact CE2-CD2 4.42Å
633	I	98.7	Very high	96.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.7	170.3	-52.5	170.5	0	0	0	107.9	F475 R565 I566 L567 L583 I587 W597 L599 L600 I602	F475-I633 HydrophobicContact CD1-CG2 4.45Å; F475-I633 HydrophobicContact CE1-CB 4.45Å; F475-I633 HydrophobicContact CE1-CD1 4.03Å; F475-I633 HydrophobicContact CE1-CG1 4.02Å; F475-I633 HydrophobicContact CE1-CG2 3.64Å; F475-I633 HydrophobicContact CZ-CD1 3.87Å; F475-I633 HydrophobicContact CZ-CG1 4.06Å; R565-I633 HydrophobicContact CG-CG2 3.64Å; I566-I633 WeakPolarHBondContact O-CA 3.34Å; I566-I633 WeakPolarHBondContact O-CG2 3.27Å; L567-I633 HydrophobicContact CD1-CG1 3.94Å; L583-I633 HydrophobicContact CD1-CD1 4.02Å; I587-I633 HydrophobicContact CD1-CD1 3.91Å; I587-I633 HydrophobicContact CG1-CD1 3.6Å; W597-I633 HydrophobicContact CH2-CB 4.16Å; W597-I633 HydrophobicContact CH2-CG2 3.63Å; W597-I633 HydrophobicContact CZ3-CB 4.37Å; W597-I633 HydrophobicContact CZ3-CG2 4.14Å; L599-I633 CarbonylContact C-O 3.55Å; L599-I633 WeakPolarHBondContact CA-O 3.43Å; L600-I633 HydrophobicContact CB-CB 4.21Å; L600-I633 HydrophobicContact CD2-CD1 4.24Å; L600-I633 PolarHBondContact N-O 2.67Å; L600-I633 PolarHBondContact O-N 3.36Å; I602-I633 HydrophobicContact CG2-CD1 4.5Å
634	L	98.6	Very high	96.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.9	176.2	-172	66.2	0	0	0	109.3	W555 M558 R565 I566 L599 Y632 A639 L642	W555-L634 HydrophobicContact CG-CD2 4.02Å; M558-L634 WeakPolarHBondContact CE-O 2.99Å; M558-L634 HydrophobicContact SD-CD2 4.28Å; M558-L634 HydrophobicContact SD-CG 4.37Å; R565-L634 WeakPolarHBondContact CA-O 3.44Å; I566-L634 HydrophobicContact CG1-CB 4.17Å; I566-L634 PolarHBondContact N-O 2.83Å; I566-L634 PolarHBondContact O-N 2.7Å; L599-L634 HydrophobicContact CB-CD1 4.35Å; L599-L634 HydrophobicContact CD1-CD1 4.37Å; Y632-L634 HydrophobicContact CD2-CB 4.22Å; Y632-L634 HydrophobicContact CE2-CB 4.06Å; Y632-L634 HydrophobicContact CE2-CD2 4.42Å; L634-A639 HydrophobicContact CD2-CB 3.78Å; L634-A639 HydrophobicContact CG-CB 4.28Å; L634-L642 HydrophobicContact CD1-CD1 3.99Å; L634-L642 HydrophobicContact CD2-CD1 4.29Å
635	N	98	Very high	96.7	Very high	23 Å²	23	28.4 Å²	28.4	12%	0.123	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	167.8	168.3	84.3	5.5	0	0	0	111.4	N564 W597 D598 N637 G638 A639	N564-N635 CarbonylContact O-C 3.44Å; N564-N635 WeakPolarHBondContact O-CA 3.19Å; N564-N635 WeakPolarHBondContact O-CB 3.48Å; W597-N635 PolarHBondContact O-ND2 2.74Å; D598-N635 PolarHBondContact O-N 2.85Å; D598-N635 PolarHBondContact O-OD1 2.85Å; N635-N637 VanDerWaalsContact C-N 3.32Å; N635-N637 PolarHBondContact O-N 3.32Å; N635-N637 PolarHBondContact OD1-N 3.21Å; N635-N637 VanDerWaalsContact OD1-N 3.14Å; N635-G638 PolarHBondContact O-N 3.37Å; N635-G638 PolarHBondContact OD1-N 3.28Å; N635-A639 PolarHBondContact O-N 3.06Å
636	R	98	Very high	96.7	Very high	72 Å²	72	33.3 Å²	33.3	27%	0.272	15%	0.148	S	C	.	.	H	α-helix	trans	-58	-43.6	-176.3	-170.8	-177.7	178.8	90	-0.8	112.8	M558 I559 N564 G638 A639 E640	M558-R636 HydrophobicContact CE-CB 4.22Å; I559-R636 HydrophobicContact CD1-CG 3.77Å; I559-R636 PolarHBondContact O-NH1 2.86Å; I559-R636 PolarHBondContact O-NH2 3.2Å; N564-R636 PolarHBondContact O-N 3.23Å; R636-G638 VanDerWaalsContact C-N 3.31Å; R636-G638 PolarHBondContact O-N 3.04Å; R636-A639 PolarHBondContact O-N 3.44Å; R636-E640 IonicContact CZ-OE1 3.41Å; R636-E640 IonicContact NE-OE1 2.76Å; R636-E640 PolarHBondContact NE-OE1 3.42Å; R636-E640 IonicContact NH2-OE1 3.45Å; R636-E640 WeakPolarHBondContact O-CG 3.37Å; R636-E640 PolarHBondContact O-N 3.36Å
637	N	97.9	Very high	96.8	Very high	68 Å²	68	33.3 Å²	33.3	36%	0.364	15%	0.148	S	C	.	.	H	α-helix	trans	-61.7	-41	-179.9	-173.1	56.7	0	0	0	111.5	D598 N635 E640 K641	D598-N637 PolarHBondContact OD1-ND2 2.83Å; N635-N637 VanDerWaalsContact C-N 3.32Å; N635-N637 PolarHBondContact O-N 3.32Å; N635-N637 PolarHBondContact OD1-N 3.21Å; N635-N637 VanDerWaalsContact OD1-N 3.14Å; N637-E640 PolarHBondContact O-N 3.19Å; N637-K641 VanDerWaalsContact ND2-CE 3.32Å; N637-K641 WeakPolarHBondContact ND2-CE 3.38Å; N637-K641 PolarHBondContact ND2-NZ 3.43Å; N637-K641 WeakPolarHBondContact O-CG 3.25Å; N637-K641 PolarHBondContact O-N 2.88Å
638	G	98.3	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-49.3	172.8	0	0	0	0	0	112.1	D598 N635 R636 E640 K641 L642	D598-G638 PolarHBondContact OD1-N 3.06Å; N635-G638 PolarHBondContact O-N 3.37Å; N635-G638 PolarHBondContact OD1-N 3.28Å; R636-G638 VanDerWaalsContact C-N 3.31Å; R636-G638 PolarHBondContact O-N 3.04Å; G638-E640 VanDerWaalsContact C-N 3.34Å; G638-E640 PolarHBondContact O-N 2.98Å; G638-K641 PolarHBondContact O-N 2.76Å; G638-L642 VanDerWaalsContact O-CG 3.25Å; G638-L642 WeakPolarHBondContact O-CG 3.36Å; G638-L642 PolarHBondContact O-N 3.48Å
639	A	98.4	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.3	-44.4	176.6	0	0	0	0	0	112.1	W555 M558 I559 L634 N635 R636 K641 L642 L643	W555-A639 HydrophobicContact CB-CB 4.32Å; M558-A639 HydrophobicContact SD-CB 3.77Å; I559-A639 HydrophobicContact CD1-CB 3.85Å; I559-A639 HydrophobicContact CG1-CB 4.34Å; L634-A639 HydrophobicContact CD2-CB 3.78Å; L634-A639 HydrophobicContact CG-CB 4.28Å; N635-A639 PolarHBondContact O-N 3.06Å; R636-A639 PolarHBondContact O-N 3.44Å; A639-K641 PolarHBondContact O-N 3.26Å; A639-L642 PolarHBondContact O-N 3.25Å; A639-L643 WeakPolarHBondContact O-CB 3.29Å; A639-L643 VanDerWaalsContact O-CG 3.26Å; A639-L643 WeakPolarHBondContact O-CG 3.04Å; A639-L643 PolarHBondContact O-N 2.92Å
640	E	98.3	Very high	97.3	Very high	82 Å²	82	36.4 Å²	36.4	38%	0.383	16%	0.164	S	C	.	.	H	α-helix	trans	-61.8	-43.7	176.9	-69.8	176.7	-178.1	0	0	111.8	I559 R636 N637 G638 L643 K644	I559-E640 HydrophobicContact CD1-CG 3.55Å; I559-E640 HydrophobicContact CG1-CG 4.42Å; R636-E640 IonicContact CZ-OE1 3.41Å; R636-E640 IonicContact NE-OE1 2.76Å; R636-E640 PolarHBondContact NE-OE1 3.42Å; R636-E640 IonicContact NH2-OE1 3.45Å; R636-E640 WeakPolarHBondContact O-CG 3.37Å; R636-E640 PolarHBondContact O-N 3.36Å; N637-E640 PolarHBondContact O-N 3.19Å; G638-E640 VanDerWaalsContact C-N 3.34Å; G638-E640 PolarHBondContact O-N 2.98Å; E640-L643 PolarHBondContact O-N 3.45Å; E640-K644 WeakPolarHBondContact O-CB 3.45Å; E640-K644 PolarHBondContact O-N 3.27Å
641	K	98.2	Very high	97.2	Very high	31 Å²	31	36.2 Å²	36.2	14%	0.135	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-45.8	175.4	-74.2	173.8	177.5	179.7	0	112.2	D598 N637 G638 A639 D678 L679	D598-K641 IonicContact OD1-NZ 3.27Å; D598-K641 IonicContact OD2-NZ 2.78Å; D598-K641 PolarHBondContact OD2-NZ 2.9Å; N637-K641 VanDerWaalsContact ND2-CE 3.32Å; N637-K641 WeakPolarHBondContact ND2-CE 3.38Å; N637-K641 PolarHBondContact ND2-NZ 3.43Å; N637-K641 WeakPolarHBondContact O-CG 3.25Å; N637-K641 PolarHBondContact O-N 2.88Å; G638-K641 PolarHBondContact O-N 2.76Å; A639-K641 PolarHBondContact O-N 3.26Å; K641-D678 PolarHBondContact NZ-O 2.91Å; K641-D678 IonicContact NZ-OD2 3.18Å; K641-L679 HydrophobicContact CB-CD1 4.31Å; K641-L679 HydrophobicContact CD-CD1 4.3Å
642	L	98.3	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63	-43.6	178.6	-67.8	174.8	0	0	0	111.6	W555 L634 G638 A639 Y657 L658 M661 L679	W555-L642 HydrophobicContact CD2-CD1 4.15Å; W555-L642 HydrophobicContact CE3-CB 4Å; W555-L642 HydrophobicContact CE3-CD1 4.34Å; W555-L642 HydrophobicContact CH2-CB 4.37Å; W555-L642 HydrophobicContact CH2-CD1 3.98Å; W555-L642 HydrophobicContact CZ2-CD1 3.77Å; W555-L642 HydrophobicContact CZ3-CB 3.93Å; W555-L642 HydrophobicContact CZ3-CD1 4.28Å; L634-L642 HydrophobicContact CD1-CD1 3.99Å; L634-L642 HydrophobicContact CD2-CD1 4.29Å; G638-L642 VanDerWaalsContact O-CG 3.25Å; G638-L642 WeakPolarHBondContact O-CG 3.36Å; G638-L642 PolarHBondContact O-N 3.48Å; A639-L642 PolarHBondContact O-N 3.25Å; L642-Y657 HydrophobicContact CB-CE1 4.34Å; L642-Y657 HydrophobicContact CD2-CD1 4.45Å; L642-Y657 HydrophobicContact CD2-CE1 3.78Å; L642-Y657 PolarHBondContact O-OH 2.95Å; L642-L658 HydrophobicContact CD1-CD2 3.95Å; L642-L658 HydrophobicContact CD2-CD2 3.73Å; L642-M661 HydrophobicContact CD2-CB 3.95Å; L642-M661 HydrophobicContact CD2-CG 3.78Å; L642-L679 HydrophobicContact CD2-CD1 4.39Å; L642-L679 HydrophobicContact CD2-CD2 3.98Å; L642-L679 HydrophobicContact CG-CD1 4.32Å
643	L	97.6	Very high	96.8	Very high	27 Å²	27	36.5 Å²	36.5	14%	0.141	17%	0.166	C	C	.	.	H	α-helix	trans	-73.4	-36.5	-179.1	-68.9	171	0	0	0	112.7	Y552 W555 I556 I559 A639 E640 Q645 K646	Y552-L643 HydrophobicContact CD2-CD2 3.67Å; Y552-L643 HydrophobicContact CE2-CD2 3.29Å; Y552-L643 HydrophobicContact CG-CD2 4.45Å; W555-L643 HydrophobicContact CB-CD1 4.14Å; W555-L643 HydrophobicContact CB-CD2 4.23Å; W555-L643 HydrophobicContact CB-CG 4.21Å; W555-L643 HydrophobicContact CE3-CD2 4.05Å; W555-L643 HydrophobicContact CE3-CG 4.46Å; I556-L643 HydrophobicContact CD1-CD1 3.76Å; I556-L643 HydrophobicContact CD1-CD2 3.72Å; I556-L643 HydrophobicContact CD1-CG 4.35Å; I556-L643 HydrophobicContact CG1-CD1 4.37Å; I556-L643 HydrophobicContact CG1-CD2 4Å; I559-L643 HydrophobicContact CG1-CD1 3.84Å; A639-L643 WeakPolarHBondContact O-CB 3.29Å; A639-L643 VanDerWaalsContact O-CG 3.26Å; A639-L643 WeakPolarHBondContact O-CG 3.04Å; A639-L643 PolarHBondContact O-N 2.92Å; E640-L643 PolarHBondContact O-N 3.45Å; L643-Q645 PolarHBondContact O-N 3.1Å; L643-Q645 VanDerWaalsContact O-N 3.1Å; L643-K646 PolarHBondContact O-N 2.87Å
644	K	97.4	Very high	96.7	Very high	157 Å²	157	36.8 Å²	36.8	68%	0.683	17%	0.167	S	C	*	.	H	α-helix	trans	-57.6	-28	-178.5	-176.5	176.1	-179	-179.1	0	113.2	E640 K646	E640-K644 WeakPolarHBondContact O-CB 3.45Å; E640-K644 PolarHBondContact O-N 3.27Å; K644-K646 PolarHBondContact O-N 3.22Å
645	Q	96.1	Very high	96.5	Very high	19 Å²	19	38.3 Å²	38.3	9%	0.089	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-4.4	176.4	-68.6	-56	-43	0	0	114.8	L643 K650 Y657 M661 F674 E675	L643-Q645 PolarHBondContact O-N 3.1Å; L643-Q645 VanDerWaalsContact O-N 3.1Å; Q645-K650 WeakPolarHBondContact O-CE 3.02Å; Q645-K650 PolarHBondContact O-NZ 3.38Å; Q645-Y657 WeakPolarHBondContact CB-OH 3.46Å; Q645-M661 HydrophobicContact CB-SD 4.41Å; Q645-M661 HydrophobicContact CG-CE 3.42Å; Q645-M661 VanDerWaalsContact CG-CE 3.42Å; Q645-M661 HydrophobicContact CG-SD 3.58Å; Q645-M661 VanDerWaalsContact CG-SD 3.58Å; Q645-F674 HydrophobicContact CB-CD1 4.04Å; Q645-F674 HydrophobicContact CG-CD1 4.37Å; Q645-E675 PolarHBondContact NE2-O 3.3Å; Q645-E675 VanDerWaalsContact OE1-N 3.17Å; Q645-E675 PolarHBondContact OE1-O 3.48Å
646	K	95.9	Very high	96.3	Very high	133 Å²	133	37.2 Å²	37.2	58%	0.578	17%	0.169	S	C	*	.			trans	50.5	54.9	-178.7	-56.6	-179.8	-177.9	179.7	0	111.8	L643 K644 L648 K649	L643-K646 PolarHBondContact O-N 2.87Å; K644-K646 PolarHBondContact O-N 3.22Å; K646-L648 PolarHBondContact O-N 2.9Å; K646-L648 VanDerWaalsContact O-N 3.12Å; K646-K649 HydrophobicContact CB-CD 4.49Å; K646-K649 PolarHBondContact O-N 3.43Å; K646-K649 VanDerWaalsContact O-N 3.11Å
647	P	96.4	Very high	96.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-60.3	-27.9	-169.2	24.3	-34.8	0	0	0	113.7	F548 Y552 K649 K650 L651 Y657	F548-P647 HydrophobicContact CE1-CB 4.03Å; F548-P647 HydrophobicContact CE1-CG 4.02Å; F548-P647 HydrophobicContact CZ-CB 3.56Å; F548-P647 HydrophobicContact CZ-CG 3.88Å; Y552-P647 HydrophobicContact CD2-CG 4.07Å; Y552-P647 HydrophobicContact CE2-CG 4.08Å; P647-K649 PolarHBondContact O-N 3.21Å; P647-K649 VanDerWaalsContact O-N 3.16Å; P647-K650 CarbonylContact O-C 3.52Å; P647-K650 PolarHBondContact O-N 2.99Å; P647-L651 WeakPolarHBondContact O-CA 3.38Å; P647-L651 PolarHBondContact O-N 2.91Å; P647-Y657 HydrophobicContact CB-CD2 4.49Å; P647-Y657 HydrophobicContact CB-CE1 4.04Å; P647-Y657 HydrophobicContact CB-CE2 4Å; P647-Y657 HydrophobicContact CG-CE1 4.24Å
648	L	95.8	Very high	96.2	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.063	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-58.9	-29.7	178.4	-56.6	-171.4	0	0	0	113	L523 I525 K526 F548 L549 Y552 K646 K650 L651	L523-L648 HydrophobicContact CB-CD1 4.36Å; I525-L648 CarbonylContact C-O 3.58Å; I525-L648 VanDerWaalsContact CA-O 3.3Å; I525-L648 WeakPolarHBondContact CA-O 3.49Å; I525-L648 HydrophobicContact CG1-CB 4.42Å; K526-L648 PolarHBondContact N-O 3.49Å; F548-L648 HydrophobicContact CD1-CD2 4.11Å; F548-L648 HydrophobicContact CE1-CD2 3.98Å; L549-L648 HydrophobicContact CD2-CD1 4.4Å; L549-L648 HydrophobicContact CD2-CD2 3.62Å; Y552-L648 HydrophobicContact CD1-CD1 4.24Å; Y552-L648 HydrophobicContact CD2-CD2 4.11Å; Y552-L648 HydrophobicContact CD2-CG 4.25Å; Y552-L648 HydrophobicContact CE1-CD1 3.79Å; Y552-L648 HydrophobicContact CE1-CG 4.4Å; Y552-L648 HydrophobicContact CE2-CD1 4.19Å; Y552-L648 HydrophobicContact CE2-CD2 4.32Å; Y552-L648 HydrophobicContact CE2-CG 3.96Å; Y552-L648 HydrophobicContact CG-CD2 4.2Å; K646-L648 PolarHBondContact O-N 2.9Å; K646-L648 VanDerWaalsContact O-N 3.12Å; L648-K650 VanDerWaalsContact C-N 3.26Å; L648-K650 PolarHBondContact O-N 3.42Å; L648-L651 HydrophobicContact CD2-CD1 4.28Å
649	K	94.5	Very high	96.2	Very high	104 Å²	104	30.6 Å²	30.6	45%	0.452	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-80	-6.8	179.7	-58.3	-169.3	177.6	-151.3	0	114	E524 K526 K646 P647	E524-K649 WeakPolarHBondContact OE2-CE 3.42Å; E524-K649 IonicContact OE2-NZ 2.59Å; E524-K649 PolarHBondContact OE2-NZ 2.98Å; K526-K649 CarbonylContact O-C 3.56Å; K526-K649 VanDerWaalsContact O-C 3.32Å; K646-K649 HydrophobicContact CB-CD 4.49Å; K646-K649 PolarHBondContact O-N 3.43Å; K646-K649 VanDerWaalsContact O-N 3.11Å; P647-K649 PolarHBondContact O-N 3.21Å; P647-K649 VanDerWaalsContact O-N 3.16Å
650	K	93.3	Very high	96.1	Very high	30 Å²	30	30.6 Å²	30.6	13%	0.13	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-152	52.6	-177.7	48.4	173.7	172.8	168.1	0	109	K526 L528 Q645 P647 L648 Q673 F674	K526-K650 CarbonylContact O-C 3.51Å; K526-K650 WeakPolarHBondContact O-CA 3.49Å; K526-K650 PolarHBondContact O-N 3.38Å; L528-K650 HydrophobicContact CB-CB 4.38Å; L528-K650 HydrophobicContact CD1-CB 3.78Å; Q645-K650 WeakPolarHBondContact O-CE 3.02Å; Q645-K650 PolarHBondContact O-NZ 3.38Å; P647-K650 CarbonylContact O-C 3.52Å; P647-K650 PolarHBondContact O-N 2.99Å; L648-K650 VanDerWaalsContact C-N 3.26Å; L648-K650 PolarHBondContact O-N 3.42Å; K650-Q673 HydrophobicContact CD-CB 4.49Å; K650-Q673 PolarHBondContact NZ-O 2.86Å; K650-F674 HydrophobicContact CB-CZ 4.3Å; K650-F674 HydrophobicContact CD-CD1 3.87Å; K650-F674 HydrophobicContact CD-CD2 4.46Å; K650-F674 HydrophobicContact CD-CE1 3.41Å; K650-F674 VanDerWaalsContact CD-CE1 3.41Å; K650-F674 HydrophobicContact CD-CE2 4.09Å; K650-F674 HydrophobicContact CD-CG 4.38Å; K650-F674 HydrophobicContact CD-CZ 3.55Å; K650-F674 HydrophobicContact CG-CE1 3.71Å; K650-F674 HydrophobicContact CG-CZ 3.73Å; K650-F674 WeakPolarHBondContact O-CZ 3.43Å
651	L	94.9	Very high	96.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-66.2	135.2	-170.3	-167.9	70.4	0	0	0	110.9	I525 K526 Q527 L528 L540 I545 F548 P647 L648	I525-L651 HydrophobicContact CG2-CD2 3.74Å; K526-L651 PolarHBondContact O-N 2.75Å; Q527-L651 WeakPolarHBondContact CA-O 3.44Å; L528-L651 PolarHBondContact N-O 2.65Å; L540-L651 HydrophobicContact CD1-CB 4.29Å; L540-L651 HydrophobicContact CD1-CD2 3.92Å; L540-L651 HydrophobicContact CD1-CG 3.91Å; I545-L651 HydrophobicContact CB-CD2 4.27Å; I545-L651 HydrophobicContact CG1-CD2 3.84Å; I545-L651 HydrophobicContact CG2-CD2 3.89Å; F548-L651 HydrophobicContact CB-CD1 4.18Å; F548-L651 HydrophobicContact CD1-CD1 3.43Å; F548-L651 VanDerWaalsContact CD1-CD1 3.43Å; F548-L651 HydrophobicContact CD2-CD1 3.77Å; F548-L651 HydrophobicContact CE1-CD1 3.72Å; F548-L651 HydrophobicContact CE2-CD1 4.04Å; F548-L651 HydrophobicContact CG-CD1 3.5Å; F548-L651 HydrophobicContact CZ-CD1 4.05Å; P647-L651 WeakPolarHBondContact O-CA 3.38Å; P647-L651 PolarHBondContact O-N 2.91Å; L648-L651 HydrophobicContact CD2-CD1 4.28Å
652	I	94.5	Very high	96	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	12%	0.118	C	C	.	.			trans	-135.5	169.9	167	61.8	179	0	0	0	106.9	L528 Y531 F548 E656 V660 W670 F674	L528-I652 HydrophobicContact CB-CG2 3.6Å; L528-I652 HydrophobicContact CD2-CG2 3.85Å; L528-I652 HydrophobicContact CG-CG2 4.38Å; Y531-I652 HydrophobicContact CD2-CB 3.72Å; Y531-I652 HydrophobicContact CD2-CG2 3.3Å; Y531-I652 HydrophobicContact CE2-CB 3.66Å; Y531-I652 HydrophobicContact CE2-CG2 3.83Å; Y531-I652 HydrophobicContact CG-CG2 3.97Å; F548-I652 VanDerWaalsContact CD2-O 3.23Å; F548-I652 WeakPolarHBondContact CD2-O 3.48Å; I652-E656 HydrophobicContact CD1-CB 4.05Å; I652-E656 HydrophobicContact CG1-CB 4.36Å; I652-V660 HydrophobicContact CD1-CG2 4.11Å; I652-W670 HydrophobicContact CD1-CE3 4.31Å; I652-F674 HydrophobicContact CD1-CE2 4.34Å; I652-F674 HydrophobicContact CD1-CZ 4.47Å
653	A	94.1	Very high	95.9	Very high	6 Å²	6	29.9 Å²	29.9	5%	0.05	14%	0.139	C	C	.	.			trans	-57.9	148	177.1	0	0	0	0	0	110.9	L540 D655 E656 Y657	L540-A653 HydrophobicContact CD2-CB 4.13Å; A653-D655 VanDerWaalsContact C-N 3.29Å; A653-D655 WeakPolarHBondContact CB-OD1 3.16Å; A653-D655 PolarHBondContact O-N 3.35Å; A653-E656 HydrophobicContact CB-CG 4.14Å; A653-E656 PolarHBondContact O-N 2.82Å; A653-Y657 PolarHBondContact O-N 3.22Å
654	I	95.7	Very high	95.8	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-38.8	-171.8	-179	58.5	0	0	0	112.2	F548 H551 W555 T629 E656 Y657 L658	F548-I654 HydrophobicContact CB-CB 4.44Å; F548-I654 HydrophobicContact CD2-CB 3.73Å; F548-I654 HydrophobicContact CD2-CD1 3.94Å; F548-I654 HydrophobicContact CD2-CG1 4.41Å; F548-I654 HydrophobicContact CE2-CB 4.33Å; F548-I654 HydrophobicContact CE2-CD1 3.77Å; F548-I654 HydrophobicContact CG-CB 4.39Å; F548-I654 HydrophobicContact CZ-CD1 4.32Å; H551-I654 HydrophobicContact CB-CD1 4.46Å; H551-I654 HydrophobicContact CB-CG1 4.41Å; W555-I654 HydrophobicContact CH2-CD1 3.39Å; W555-I654 HydrophobicContact CZ2-CD1 3.62Å; T629-I654 HydrophobicContact CG2-CG1 4.15Å; T629-I654 HydrophobicContact CG2-CG2 4.21Å; I654-E656 VanDerWaalsContact C-N 3.25Å; I654-E656 PolarHBondContact O-N 3.46Å; I654-Y657 HydrophobicContact CD1-CD1 4.19Å; I654-Y657 PolarHBondContact O-N 2.98Å; I654-L658 HydrophobicContact CD1-CD2 4.39Å; I654-L658 HydrophobicContact CD1-CG 4.17Å; I654-L658 HydrophobicContact CG1-CD1 4.46Å; I654-L658 WeakPolarHBondContact O-CG 3.33Å; I654-L658 PolarHBondContact O-N 2.98Å
655	D	94	Very high	95.6	Very high	31 Å²	31	26.1 Å²	26.1	17%	0.166	12%	0.121	C	C	.	.	H	α-helix	trans	-75.3	-12.4	178.1	58.4	-12.7	0	0	0	113.4	Y627 W628 T629 A653 P659	Y627-D655 HydrophobicContact CD1-CB 4.49Å; Y627-D655 WeakPolarHBondContact CD1-OD2 3.34Å; W628-D655 PolarHBondContact N-OD2 3.07Å; T629-D655 HydrophobicContact CG2-CB 4.39Å; A653-D655 VanDerWaalsContact C-N 3.29Å; A653-D655 WeakPolarHBondContact CB-OD1 3.16Å; A653-D655 PolarHBondContact O-N 3.35Å; D655-P659 WeakPolarHBondContact O-CD 3.3Å; D655-P659 WeakPolarHBondContact O-CG 3.29Å
656	E	94.9	Very high	95.4	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-89.1	-34.8	164.8	-59.6	-69.6	-160	0	0	111.7	P534 Y625 Y627 I652 A653 I654 P659 V660 H665 W670	P534-E656 WeakPolarHBondContact CD-OE1 3.23Å; P534-E656 VanDerWaalsContact CG-OE1 3.24Å; P534-E656 WeakPolarHBondContact CG-OE1 3.35Å; Y625-E656 VanDerWaalsContact CE2-OE2 3.25Å; Y625-E656 WeakPolarHBondContact CE2-OE2 3.38Å; Y625-E656 VanDerWaalsContact OH-CD 3.26Å; Y625-E656 PolarHBondContact OH-OE1 2.98Å; Y625-E656 VanDerWaalsContact OH-OE1 3.06Å; Y625-E656 PolarHBondContact OH-OE2 3.41Å; Y627-E656 VanDerWaalsContact CE1-CD 3.49Å; Y627-E656 HydrophobicContact CE1-CG 4.36Å; Y627-E656 WeakPolarHBondContact CE1-OE1 3.39Å; Y627-E656 VanDerWaalsContact CZ-OE1 3.32Å; Y627-E656 PolarHBondContact OH-OE1 2.95Å; I652-E656 HydrophobicContact CD1-CB 4.05Å; I652-E656 HydrophobicContact CG1-CB 4.36Å; A653-E656 HydrophobicContact CB-CG 4.14Å; A653-E656 PolarHBondContact O-N 2.82Å; I654-E656 VanDerWaalsContact C-N 3.25Å; I654-E656 PolarHBondContact O-N 3.46Å; E656-P659 WeakPolarHBondContact O-CD 3.46Å; E656-V660 WeakPolarHBondContact O-CG2 3.4Å; E656-V660 PolarHBondContact O-N 2.88Å; E656-H665 IonicContact OE2-CD2 3.45Å; E656-H665 PolarHBondContact OE2-CD2 2.76Å; E656-H665 IonicContact OE2-NE2 2.95Å; E656-H665 PolarHBondContact OE2-NE2 2.76Å; E656-W670 HydrophobicContact CB-CZ3 4.1Å; E656-W670 HydrophobicContact CG-CZ3 4.11Å
657	Y	97	Very high	95.2	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-65.1	-44.9	179.9	179.8	-120.3	0	0	0	113.2	F548 W555 L642 Q645 P647 A653 I654 V660 M661 F674	F548-Y657 AromaticContact CE2-CD1 3.75Å; F548-Y657 HydrophobicContact CE2-CD1 3.75Å; F548-Y657 AromaticContact CE2-CG 3.86Å; F548-Y657 HydrophobicContact CE2-CG 3.86Å; F548-Y657 AromaticContact CZ-CD1 3.76Å; F548-Y657 HydrophobicContact CZ-CD1 3.76Å; F548-Y657 HydrophobicContact CZ-CE1 4.16Å; F548-Y657 HydrophobicContact CZ-CG 4.18Å; W555-Y657 HydrophobicContact CH2-CD1 4.08Å; W555-Y657 HydrophobicContact CH2-CE1 4.01Å; W555-Y657 HydrophobicContact CZ3-CE1 4.06Å; L642-Y657 HydrophobicContact CB-CE1 4.34Å; L642-Y657 HydrophobicContact CD2-CD1 4.45Å; L642-Y657 HydrophobicContact CD2-CE1 3.78Å; L642-Y657 PolarHBondContact O-OH 2.95Å; Q645-Y657 WeakPolarHBondContact CB-OH 3.46Å; P647-Y657 HydrophobicContact CB-CD2 4.49Å; P647-Y657 HydrophobicContact CB-CE1 4.04Å; P647-Y657 HydrophobicContact CB-CE2 4Å; P647-Y657 HydrophobicContact CG-CE1 4.24Å; A653-Y657 PolarHBondContact O-N 3.22Å; I654-Y657 HydrophobicContact CD1-CD1 4.19Å; I654-Y657 PolarHBondContact O-N 2.98Å; Y657-V660 WeakPolarHBondContact O-CB 3.38Å; Y657-V660 PolarHBondContact O-N 2.78Å; Y657-M661 HydrophobicContact CD2-CG 4.15Å; Y657-M661 HydrophobicContact CE1-CG 4.09Å; Y657-M661 HydrophobicContact CE2-CG 3.58Å; Y657-M661 HydrophobicContact CE2-SD 3.81Å; Y657-M661 WeakPolarHBondContact O-CG 3.24Å; Y657-M661 PolarHBondContact O-N 2.95Å; Y657-F674 HydrophobicContact CD2-CD1 4.21Å; Y657-F674 AromaticContact CD2-CE1 3.74Å; Y657-F674 HydrophobicContact CD2-CE1 3.74Å; Y657-F674 HydrophobicContact CD2-CZ 4.06Å; Y657-F674 AromaticContact CE2-CD1 3.53Å; Y657-F674 HydrophobicContact CE2-CD1 3.53Å; Y657-F674 AromaticContact CE2-CE1 3.33Å; Y657-F674 HydrophobicContact CE2-CE1 3.33Å; Y657-F674 HydrophobicContact CE2-CG 4.45Å; Y657-F674 HydrophobicContact CE2-CZ 4.11Å
658	L	97.5	Very high	95	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-50	-179.4	-62.6	175.2	0	0	0	111.6	W555 L599 Y601 T629 L642 I654 V660 M661 F662	W555-L658 HydrophobicContact CH2-CD2 4.5Å; W555-L658 HydrophobicContact CZ2-CD2 4.33Å; L599-L658 HydrophobicContact CD1-CD1 4.13Å; L599-L658 HydrophobicContact CD1-CD2 3.89Å; L599-L658 HydrophobicContact CD1-CG 4.5Å; Y601-L658 HydrophobicContact CE1-CD1 4.25Å; Y601-L658 WeakPolarHBondContact OH-CB 3.44Å; Y601-L658 VanDerWaalsContact OH-CD1 3.29Å; Y601-L658 WeakPolarHBondContact OH-CD1 3.39Å; T629-L658 HydrophobicContact CG2-CD1 3.75Å; L642-L658 HydrophobicContact CD1-CD2 3.95Å; L642-L658 HydrophobicContact CD2-CD2 3.73Å; I654-L658 HydrophobicContact CD1-CD2 4.39Å; I654-L658 HydrophobicContact CD1-CG 4.17Å; I654-L658 HydrophobicContact CG1-CD1 4.46Å; I654-L658 WeakPolarHBondContact O-CG 3.33Å; I654-L658 PolarHBondContact O-N 2.98Å; L658-V660 VanDerWaalsContact C-N 3.26Å; L658-V660 PolarHBondContact O-N 2.99Å; L658-M661 WeakPolarHBondContact O-CA 3.41Å; L658-M661 WeakPolarHBondContact O-CB 3.38Å; L658-M661 PolarHBondContact O-N 2.85Å; L658-F662 VanDerWaalsContact C-CD1 3.42Å; L658-F662 HydrophobicContact CB-CE1 4.14Å; L658-F662 WeakPolarHBondContact O-CD1 3.28Å; L658-F662 VanDerWaalsContact O-CE1 3.24Å; L658-F662 WeakPolarHBondContact O-CE1 3.5Å; L658-F662 PolarHBondContact O-N 3.11Å; L658-F662 VanDerWaalsContact O-N 3.13Å
659	P	96.5	Very high	94.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.7	-30.5	173.3	-24.2	32.7	0	0	0	115.6	Y625 T626 D655 E656 M661 F662 N663 K664 H665	Y625-P659 HydrophobicContact CD2-CB 3.89Å; Y625-P659 HydrophobicContact CD2-CG 4.16Å; Y625-P659 HydrophobicContact CE2-CB 4.31Å; Y625-P659 HydrophobicContact CE2-CG 4.35Å; T626-P659 HydrophobicContact CG2-CG 4.21Å; T626-P659 WeakPolarHBondContact O-CG 2.96Å; D655-P659 WeakPolarHBondContact O-CD 3.3Å; D655-P659 WeakPolarHBondContact O-CG 3.29Å; E656-P659 WeakPolarHBondContact O-CD 3.46Å; P659-M661 VanDerWaalsContact C-N 3.35Å; P659-F662 HydrophobicContact CB-CE1 4.23Å; P659-F662 HydrophobicContact CB-CE2 4.15Å; P659-F662 HydrophobicContact CB-CZ 3.78Å; P659-F662 HydrophobicContact CG-CE1 4.15Å; P659-F662 HydrophobicContact CG-CZ 3.82Å; P659-F662 VanDerWaalsContact N-CE1 3.3Å; P659-N663 PolarHBondContact O-N 3.14Å; P659-K664 PolarHBondContact O-N 3.26Å; P659-H665 HydrophobicContact CB-CB 4.29Å; P659-H665 PolarHBondContact O-N 3.02Å
660	V	96.7	Very high	94.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-47.1	170.5	166.5	0	0	0	0	109.7	I652 E656 Y657 L658 F662 N663 H665 W670 L671 F674 R677	I652-V660 HydrophobicContact CD1-CG2 4.11Å; E656-V660 WeakPolarHBondContact O-CG2 3.4Å; E656-V660 PolarHBondContact O-N 2.88Å; Y657-V660 WeakPolarHBondContact O-CB 3.38Å; Y657-V660 PolarHBondContact O-N 2.78Å; L658-V660 VanDerWaalsContact C-N 3.26Å; L658-V660 PolarHBondContact O-N 2.99Å; V660-F662 PolarHBondContact O-N 3.08Å; V660-N663 PolarHBondContact O-N 3.03Å; V660-H665 HydrophobicContact CB-CB 4.39Å; V660-H665 HydrophobicContact CG2-CB 3.59Å; V660-W670 HydrophobicContact CG2-CB 4.43Å; V660-L671 HydrophobicContact CB-CD2 4.43Å; V660-L671 HydrophobicContact CG1-CD2 4.27Å; V660-L671 HydrophobicContact CG2-CD2 4.39Å; V660-F674 HydrophobicContact CG1-CB 3.69Å; V660-F674 HydrophobicContact CG1-CD2 3.5Å; V660-F674 VanDerWaalsContact CG1-CD2 3.5Å; V660-F674 HydrophobicContact CG1-CE2 4.25Å; V660-F674 HydrophobicContact CG1-CG 3.71Å; V660-R677 VanDerWaalsContact O-CD 3.24Å; V660-R677 WeakPolarHBondContact O-CD 3.5Å; V660-R677 WeakPolarHBondContact O-CG 3.31Å
661	M	97.9	Very high	94.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.4	-29.2	-175.5	-69.4	-54.7	-59	0	0	115	L642 Q645 Y657 L658 P659 F674 R677 D678 L679	L642-M661 HydrophobicContact CD2-CB 3.95Å; L642-M661 HydrophobicContact CD2-CG 3.78Å; Q645-M661 HydrophobicContact CB-SD 4.41Å; Q645-M661 HydrophobicContact CG-CE 3.42Å; Q645-M661 VanDerWaalsContact CG-CE 3.42Å; Q645-M661 HydrophobicContact CG-SD 3.58Å; Q645-M661 VanDerWaalsContact CG-SD 3.58Å; Y657-M661 HydrophobicContact CD2-CG 4.15Å; Y657-M661 HydrophobicContact CE1-CG 4.09Å; Y657-M661 HydrophobicContact CE2-CG 3.58Å; Y657-M661 HydrophobicContact CE2-SD 3.81Å; Y657-M661 WeakPolarHBondContact O-CG 3.24Å; Y657-M661 PolarHBondContact O-N 2.95Å; L658-M661 WeakPolarHBondContact O-CA 3.41Å; L658-M661 WeakPolarHBondContact O-CB 3.38Å; L658-M661 PolarHBondContact O-N 2.85Å; P659-M661 VanDerWaalsContact C-N 3.35Å; M661-F674 HydrophobicContact SD-CB 4.14Å; M661-F674 HydrophobicContact SD-CD1 4.35Å; M661-R677 CarbonylContact O-C 3.58Å; M661-R677 VanDerWaalsContact O-CA 3.29Å; M661-R677 WeakPolarHBondContact O-CA 3.47Å; M661-D678 PolarHBondContact O-N 3.31Å; M661-L679 HydrophobicContact CB-CB 4.07Å; M661-L679 HydrophobicContact CB-CD2 4.04Å; M661-L679 VanDerWaalsContact O-CB 3.29Å; M661-L679 WeakPolarHBondContact O-CB 3.44Å; M661-L679 PolarHBondContact O-N 3.16Å; M661-L679 VanDerWaalsContact O-N 3.13Å
662	F	96.4	Very high	94.7	Very high	18 Å²	18	36 Å²	36	8%	0.079	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	16.8	170.6	61.4	-103.4	0	0	0	113.7	Y601 P623 T626 L658 P659 V660 K664 L679 A681	Y601-F662 AromaticContact CE2-CE1 3.83Å; Y601-F662 HydrophobicContact CE2-CE1 3.83Å; Y601-F662 HydrophobicContact CE2-CZ 4.16Å; P623-F662 HydrophobicContact CG-CE2 4.33Å; P623-F662 HydrophobicContact CG-CZ 4.49Å; T626-F662 HydrophobicContact CG2-CZ 4.17Å; L658-F662 VanDerWaalsContact C-CD1 3.42Å; L658-F662 HydrophobicContact CB-CE1 4.14Å; L658-F662 WeakPolarHBondContact O-CD1 3.28Å; L658-F662 VanDerWaalsContact O-CE1 3.24Å; L658-F662 WeakPolarHBondContact O-CE1 3.5Å; L658-F662 PolarHBondContact O-N 3.11Å; L658-F662 VanDerWaalsContact O-N 3.13Å; P659-F662 HydrophobicContact CB-CE1 4.23Å; P659-F662 HydrophobicContact CB-CE2 4.15Å; P659-F662 HydrophobicContact CB-CZ 3.78Å; P659-F662 HydrophobicContact CG-CE1 4.15Å; P659-F662 HydrophobicContact CG-CZ 3.82Å; P659-F662 VanDerWaalsContact N-CE1 3.3Å; V660-F662 PolarHBondContact O-N 3.08Å; F662-K664 HydrophobicContact CD2-CB 3.68Å; F662-K664 HydrophobicContact CD2-CG 3.45Å; F662-K664 VanDerWaalsContact CD2-CG 3.45Å; F662-K664 HydrophobicContact CE2-CB 3.53Å; F662-K664 HydrophobicContact CE2-CG 3.66Å; F662-K664 PolarHBondContact O-N 3.26Å; F662-L679 WeakPolarHBondContact CA-O 3.3Å; F662-L679 HydrophobicContact CB-CB 4.21Å; F662-L679 WeakPolarHBondContact CB-O 3.39Å; F662-L679 HydrophobicContact CD1-CD2 4.34Å; F662-A681 HydrophobicContact CB-CB 3.73Å; F662-A681 HydrophobicContact CD1-CB 3.59Å; F662-A681 HydrophobicContact CD2-CB 4.2Å; F662-A681 HydrophobicContact CE1-CB 4.19Å; F662-A681 HydrophobicContact CG-CB 3.62Å
663	N	96.5	Very high	94.7	Very high	80 Å²	80	40.7 Å²	40.7	43%	0.428	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	43	170.4	-163.9	51.2	0	0	0	114.7	P659 V660 R677	P659-N663 PolarHBondContact O-N 3.14Å; V660-N663 PolarHBondContact O-N 3.03Å; N663-R677 HydrophobicContact CB-CB 3.9Å; N663-R677 PolarHBondContact OD1-NE 2.91Å
664	K	94.9	Very high	94.7	Very high	97 Å²	97	40.4 Å²	40.4	42%	0.422	20%	0.201	S	C	.	.			trans	-124.5	4	177.7	-65	-64.5	-173.9	175.6	0	114.4	Y625 P659 F662	Y625-K664 WeakPolarHBondContact CB-O 3.49Å; P659-K664 PolarHBondContact O-N 3.26Å; F662-K664 HydrophobicContact CD2-CB 3.68Å; F662-K664 HydrophobicContact CD2-CG 3.45Å; F662-K664 VanDerWaalsContact CD2-CG 3.45Å; F662-K664 HydrophobicContact CE2-CB 3.53Å; F662-K664 HydrophobicContact CE2-CG 3.66Å; F662-K664 PolarHBondContact O-N 3.26Å
665	H	93.8	Very high	94.6	Very high	7 Å²	7	46 Å²	46	3%	0.032	23%	0.227	C	C	.	.			trans	-72.1	137.6	178.7	-163.8	-81.1	0	0	0	112.4	Y625 E656 P659 V660 R667 W670 L671	Y625-H665 AromaticContact CE2-CD2 3.58Å; Y625-H665 AromaticContact CE2-NE2 3.8Å; E656-H665 IonicContact OE2-CD2 3.45Å; E656-H665 PolarHBondContact OE2-CD2 2.76Å; E656-H665 IonicContact OE2-NE2 2.95Å; E656-H665 PolarHBondContact OE2-NE2 2.76Å; P659-H665 HydrophobicContact CB-CB 4.29Å; P659-H665 PolarHBondContact O-N 3.02Å; V660-H665 HydrophobicContact CB-CB 4.39Å; V660-H665 HydrophobicContact CG2-CB 3.59Å; H665-R667 VanDerWaalsContact CE1-CB 3.41Å; H665-R667 WeakPolarHBondContact CE1-CB 3.46Å; H665-R667 WeakPolarHBondContact ND1-CB 3.35Å; H665-R667 PolarHBondContact ND1-N 2.77Å; H665-W670 AromaticContact CE1-CD2 3.96Å; H665-W670 AromaticContact CE1-CE3 3.07Å; H665-W670 AromaticContact CE1-CZ3 3.3Å; H665-W670 WeakPolarHBondContact CE1-CZ3 3.24Å; H665-W670 AromaticContact ND1-CE3 3.82Å; H665-W670 AromaticContact NE2-CE3 3.33Å; H665-W670 VanDerWaalsContact NE2-CE3 3.33Å; H665-W670 AromaticContact NE2-CZ3 3.29Å; H665-W670 VanDerWaalsContact NE2-CZ3 3.29Å; H665-W670 WeakPolarHBondContact NE2-CZ3 3.36Å; H665-L671 HydrophobicContact CB-CD2 3.84Å; H665-L671 HydrophobicContact CB-CG 4.34Å; H665-L671 WeakPolarHBondContact O-CD1 3.14Å
666	P	92.3	Very high	94.7	Very high	81 Å²	81	47.8 Å²	47.8	53%	0.526	24%	0.24	S	C	.	.	S	Bend	trans	-71.9	-29.7	-178	26.5	-35	0	0	0	114.2	Y625 K668	Y625-P666 HydrophobicContact CD1-CG 4.14Å; Y625-P666 VanDerWaalsContact CD2-CD 3.48Å; Y625-P666 HydrophobicContact CD2-CG 4.44Å; Y625-P666 HydrophobicContact CE1-CG 3.95Å; Y625-P666 HydrophobicContact CE2-CG 4.31Å; Y625-P666 HydrophobicContact CG-CG 4.35Å; P666-K668 PolarHBondContact O-N 3.35Å
667	R	92.2	Very high	94.8	Very high	73 Å²	73	50.7 Å²	50.7	28%	0.275	25%	0.251	S	S	.	.			trans	-76.8	101.2	179	-65.4	-73.9	-65.9	-90.8	0.1	111.8	H665 D669 W670 L671	H665-R667 VanDerWaalsContact CE1-CB 3.41Å; H665-R667 WeakPolarHBondContact CE1-CB 3.46Å; H665-R667 WeakPolarHBondContact ND1-CB 3.35Å; H665-R667 PolarHBondContact ND1-N 2.77Å; R667-D669 VanDerWaalsContact C-N 3.28Å; R667-D669 WeakPolarHBondContact CB-OD1 3.27Å; R667-D669 IonicContact CZ-OD1 3.81Å; R667-D669 IonicContact CZ-OD2 3.4Å; R667-D669 IonicContact NE-OD1 2.76Å; R667-D669 PolarHBondContact NE-OD1 3.17Å; R667-D669 IonicContact NE-OD2 3.69Å; R667-D669 PolarHBondContact NE-OD2 3.37Å; R667-D669 IonicContact NH2-OD1 3.84Å; R667-D669 IonicContact NH2-OD2 2.7Å; R667-D669 PolarHBondContact NH2-OD2 3.3Å; R667-D669 PolarHBondContact O-N 3.18Å; R667-W670 HydrophobicContact CB-CB 4.1Å; R667-W670 HydrophobicContact CB-CD2 3.71Å; R667-W670 HydrophobicContact CB-CE3 4.08Å; R667-W670 HydrophobicContact CB-CG 3.74Å; R667-W670 HydrophobicContact CG-CD2 4.04Å; R667-W670 HydrophobicContact CG-CE3 4.24Å; R667-W670 HydrophobicContact CG-CH2 4.41Å; R667-W670 HydrophobicContact CG-CZ2 4.25Å; R667-W670 HydrophobicContact CG-CZ3 4.41Å; R667-W670 PolarHBondContact O-N 3.14Å; R667-L671 PolarHBondContact O-N 2.58Å; R667-L671 VanDerWaalsContact O-N 3.14Å
668	K	91.9	Very high	94.7	Very high	168 Å²	168	54.4 Å²	54.4	73%	0.73	27%	0.271	S	S	*	.	H	α-helix	trans	-62.9	-35.1	178	-65.3	-176.7	-180	178.9	0	112.9	P666 W670 L671 V672	P666-K668 PolarHBondContact O-N 3.35Å; K668-W670 PolarHBondContact O-N 3.42Å; K668-L671 PolarHBondContact O-N 2.87Å; K668-V672 WeakPolarHBondContact O-CG1 3.41Å; K668-V672 PolarHBondContact O-N 3.19Å; K668-V672 VanDerWaalsContact O-N 3.17Å
669	D	91.5	Very high	94.8	Very high	73 Å²	73	54.8 Å²	54.8	39%	0.39	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-27.5	176.3	56.8	-49.6	0	0	0	112.7	R667 V672 Q673	R667-D669 VanDerWaalsContact C-N 3.28Å; R667-D669 WeakPolarHBondContact CB-OD1 3.27Å; R667-D669 IonicContact CZ-OD1 3.81Å; R667-D669 IonicContact CZ-OD2 3.4Å; R667-D669 IonicContact NE-OD1 2.76Å; R667-D669 PolarHBondContact NE-OD1 3.17Å; R667-D669 IonicContact NE-OD2 3.69Å; R667-D669 PolarHBondContact NE-OD2 3.37Å; R667-D669 IonicContact NH2-OD1 3.84Å; R667-D669 IonicContact NH2-OD2 2.7Å; R667-D669 PolarHBondContact NH2-OD2 3.3Å; R667-D669 PolarHBondContact O-N 3.18Å; D669-V672 VanDerWaalsContact O-CG2 3.25Å; D669-V672 WeakPolarHBondContact O-CG2 2.88Å; D669-Q673 WeakPolarHBondContact O-CG 3.33Å
670	W	92.6	Very high	94.8	Very high	1 Å²	1	57.8 Å²	57.8	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-82.8	-42.5	171.8	-59	-1.7	0	0	0	111.3	L528 Y531 T532 P534 I652 E656 V660 H665 R667 K668 V672 Q673 F674	L528-W670 HydrophobicContact CD2-CB 4.14Å; L528-W670 HydrophobicContact CD2-CG 3.91Å; Y531-W670 AromaticContact CD2-CH2 3.58Å; Y531-W670 HydrophobicContact CD2-CH2 3.58Å; Y531-W670 AromaticContact CD2-CZ2 3.55Å; Y531-W670 HydrophobicContact CD2-CZ2 3.55Å; Y531-W670 HydrophobicContact CD2-CZ3 4.08Å; Y531-W670 AromaticContact CE2-CH2 3.52Å; Y531-W670 HydrophobicContact CE2-CH2 3.52Å; Y531-W670 AromaticContact CE2-CZ2 4Å; Y531-W670 HydrophobicContact CE2-CZ2 4Å; Y531-W670 AromaticContact CE2-CZ3 3.91Å; Y531-W670 HydrophobicContact CE2-CZ3 3.91Å; Y531-W670 HydrophobicContact CG-CZ2 4.39Å; T532-W670 WeakPolarHBondContact O-CH2 3.28Å; T532-W670 WeakPolarHBondContact O-CZ2 3.49Å; P534-W670 HydrophobicContact CG-CH2 4.08Å; I652-W670 HydrophobicContact CD1-CE3 4.31Å; E656-W670 HydrophobicContact CB-CZ3 4.1Å; E656-W670 HydrophobicContact CG-CZ3 4.11Å; V660-W670 HydrophobicContact CG2-CB 4.43Å; H665-W670 AromaticContact CE1-CD2 3.96Å; H665-W670 AromaticContact CE1-CE3 3.07Å; H665-W670 AromaticContact CE1-CZ3 3.3Å; H665-W670 WeakPolarHBondContact CE1-CZ3 3.24Å; H665-W670 AromaticContact ND1-CE3 3.82Å; H665-W670 AromaticContact NE2-CE3 3.33Å; H665-W670 VanDerWaalsContact NE2-CE3 3.33Å; H665-W670 AromaticContact NE2-CZ3 3.29Å; H665-W670 VanDerWaalsContact NE2-CZ3 3.29Å; H665-W670 WeakPolarHBondContact NE2-CZ3 3.36Å; R667-W670 HydrophobicContact CB-CB 4.1Å; R667-W670 HydrophobicContact CB-CD2 3.71Å; R667-W670 HydrophobicContact CB-CE3 4.08Å; R667-W670 HydrophobicContact CB-CG 3.74Å; R667-W670 HydrophobicContact CG-CD2 4.04Å; R667-W670 HydrophobicContact CG-CE3 4.24Å; R667-W670 HydrophobicContact CG-CH2 4.41Å; R667-W670 HydrophobicContact CG-CZ2 4.25Å; R667-W670 HydrophobicContact CG-CZ3 4.41Å; R667-W670 PolarHBondContact O-N 3.14Å; K668-W670 PolarHBondContact O-N 3.42Å; W670-V672 VanDerWaalsContact C-N 3.3Å; W670-V672 PolarHBondContact O-N 2.91Å; W670-Q673 WeakPolarHBondContact O-CB 3.36Å; W670-Q673 PolarHBondContact O-N 3.41Å; W670-F674 WeakPolarHBondContact O-CD2 3.45Å
671	L	93.3	Very high	94.9	Very high	22 Å²	22	58.1 Å²	58.1	12%	0.115	29%	0.291	C	S	.	.	H	α-helix	trans	-53	-45.5	179.3	-70.9	175.5	0	0	0	112.5	V660 H665 R667 K668 Q673 F674 R677	V660-L671 HydrophobicContact CB-CD2 4.43Å; V660-L671 HydrophobicContact CG1-CD2 4.27Å; V660-L671 HydrophobicContact CG2-CD2 4.39Å; H665-L671 HydrophobicContact CB-CD2 3.84Å; H665-L671 HydrophobicContact CB-CG 4.34Å; H665-L671 WeakPolarHBondContact O-CD1 3.14Å; R667-L671 PolarHBondContact O-N 2.58Å; R667-L671 VanDerWaalsContact O-N 3.14Å; K668-L671 PolarHBondContact O-N 2.87Å; L671-Q673 PolarHBondContact O-N 2.65Å; L671-Q673 VanDerWaalsContact O-N 3.08Å; L671-F674 PolarHBondContact O-N 3.02Å; L671-F674 VanDerWaalsContact O-N 3.11Å; L671-R677 PolarHBondContact O-NH1 3.3Å
672	V	93.7	Very high	94.9	Very high	91 Å²	91	58.1 Å²	58.1	55%	0.552	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-16.7	-178.4	-64.9	0	0	0	0	113.9	K668 D669 W670 F674	K668-V672 WeakPolarHBondContact O-CG1 3.41Å; K668-V672 PolarHBondContact O-N 3.19Å; K668-V672 VanDerWaalsContact O-N 3.17Å; D669-V672 VanDerWaalsContact O-CG2 3.25Å; D669-V672 WeakPolarHBondContact O-CG2 2.88Å; W670-V672 VanDerWaalsContact C-N 3.3Å; W670-V672 PolarHBondContact O-N 2.91Å; V672-F674 VanDerWaalsContact C-N 3.34Å
673	Q	94.4	Very high	95	Very high	99 Å²	99	57.2 Å²	57.2	46%	0.463	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-17.3	-179.8	-57.3	-67	-28.9	0	0	112	L528 K650 D669 W670 L671	L528-Q673 HydrophobicContact CD1-CB 3.81Å; L528-Q673 HydrophobicContact CD1-CG 3.6Å; L528-Q673 HydrophobicContact CD2-CG 4.32Å; K650-Q673 HydrophobicContact CD-CB 4.49Å; K650-Q673 PolarHBondContact NZ-O 2.86Å; D669-Q673 WeakPolarHBondContact O-CG 3.33Å; W670-Q673 WeakPolarHBondContact O-CB 3.36Å; W670-Q673 PolarHBondContact O-N 3.41Å; L671-Q673 PolarHBondContact O-N 2.65Å; L671-Q673 VanDerWaalsContact O-N 3.08Å
674	F	95.2	Very high	95.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	-123.3	114.4	-176.7	-59.8	-95.4	0	0	0	109.9	L528 Q645 K650 I652 Y657 V660 M661 W670 L671 V672 R677	L528-F674 HydrophobicContact CD2-CE2 4.42Å; Q645-F674 HydrophobicContact CB-CD1 4.04Å; Q645-F674 HydrophobicContact CG-CD1 4.37Å; K650-F674 HydrophobicContact CB-CZ 4.3Å; K650-F674 HydrophobicContact CD-CD1 3.87Å; K650-F674 HydrophobicContact CD-CD2 4.46Å; K650-F674 HydrophobicContact CD-CE1 3.41Å; K650-F674 VanDerWaalsContact CD-CE1 3.41Å; K650-F674 HydrophobicContact CD-CE2 4.09Å; K650-F674 HydrophobicContact CD-CG 4.38Å; K650-F674 HydrophobicContact CD-CZ 3.55Å; K650-F674 HydrophobicContact CG-CE1 3.71Å; K650-F674 HydrophobicContact CG-CZ 3.73Å; K650-F674 WeakPolarHBondContact O-CZ 3.43Å; I652-F674 HydrophobicContact CD1-CE2 4.34Å; I652-F674 HydrophobicContact CD1-CZ 4.47Å; Y657-F674 HydrophobicContact CD2-CD1 4.21Å; Y657-F674 AromaticContact CD2-CE1 3.74Å; Y657-F674 HydrophobicContact CD2-CE1 3.74Å; Y657-F674 HydrophobicContact CD2-CZ 4.06Å; Y657-F674 AromaticContact CE2-CD1 3.53Å; Y657-F674 HydrophobicContact CE2-CD1 3.53Å; Y657-F674 AromaticContact CE2-CE1 3.33Å; Y657-F674 HydrophobicContact CE2-CE1 3.33Å; Y657-F674 HydrophobicContact CE2-CG 4.45Å; Y657-F674 HydrophobicContact CE2-CZ 4.11Å; V660-F674 HydrophobicContact CG1-CB 3.69Å; V660-F674 HydrophobicContact CG1-CD2 3.5Å; V660-F674 VanDerWaalsContact CG1-CD2 3.5Å; V660-F674 HydrophobicContact CG1-CE2 4.25Å; V660-F674 HydrophobicContact CG1-CG 3.71Å; M661-F674 HydrophobicContact SD-CB 4.14Å; M661-F674 HydrophobicContact SD-CD1 4.35Å; W670-F674 WeakPolarHBondContact O-CD2 3.45Å; L671-F674 PolarHBondContact O-N 3.02Å; L671-F674 VanDerWaalsContact O-N 3.11Å; V672-F674 VanDerWaalsContact C-N 3.34Å; F674-R677 WeakPolarHBondContact O-CD 3.39Å; F674-R677 WeakPolarHBondContact O-CG 3.38Å; F674-R677 PolarHBondContact O-NH1 3.11Å
675	E	93.7	Very high	95	Very high	124 Å²	124	51.5 Å²	51.5	58%	0.579	26%	0.259	S	S	*	.			trans	-145.9	136.4	179	-70.3	-164.1	163.8	0	0	111.5	Q645 R677	Q645-E675 PolarHBondContact NE2-O 3.3Å; Q645-E675 VanDerWaalsContact OE1-N 3.17Å; Q645-E675 PolarHBondContact OE1-O 3.48Å; E675-R677 IonicContact OE1-CZ 2.69Å; E675-R677 IonicContact OE1-NH1 2.75Å; E675-R677 PolarHBondContact OE1-NH1 3.12Å; E675-R677 IonicContact OE1-NH2 2.58Å
676	P	96	Very high	95.1	Very high	68 Å²	68	55.3 Å²	55.3	44%	0.442	29%	0.285	S	S	.	.			cis	-73.8	155.2	-5.1	32.3	-36.1	0	0	0	113.2	D678	P676-D678 HydrophobicContact CB-CB 4.4Å
677	R	96.4	Very high	95.3	Very high	62 Å²	62	52.6 Å²	52.6	23%	0.234	27%	0.266	C	S	.	.			trans	-106.8	61.8	175.3	-58.9	178.3	-65.4	-77.6	-7	110	V660 M661 N663 L671 F674 E675	V660-R677 VanDerWaalsContact O-CD 3.24Å; V660-R677 WeakPolarHBondContact O-CD 3.5Å; V660-R677 WeakPolarHBondContact O-CG 3.31Å; M661-R677 CarbonylContact O-C 3.58Å; M661-R677 VanDerWaalsContact O-CA 3.29Å; M661-R677 WeakPolarHBondContact O-CA 3.47Å; N663-R677 HydrophobicContact CB-CB 3.9Å; N663-R677 PolarHBondContact OD1-NE 2.91Å; L671-R677 PolarHBondContact O-NH1 3.3Å; F674-R677 WeakPolarHBondContact O-CD 3.39Å; F674-R677 WeakPolarHBondContact O-CG 3.38Å; F674-R677 PolarHBondContact O-NH1 3.11Å; E675-R677 IonicContact OE1-CZ 2.69Å; E675-R677 IonicContact OE1-NH1 2.75Å; E675-R677 PolarHBondContact OE1-NH1 3.12Å; E675-R677 IonicContact OE1-NH2 2.58Å
678	D	96.5	Very high	95.5	Very high	78 Å²	78	49.3 Å²	49.3	42%	0.417	25%	0.254	S	S	.	.			trans	-110.7	21.9	-169.2	68.5	-27	0	0	0	113	K641 M661 P676 I680	K641-D678 PolarHBondContact NZ-O 2.91Å; K641-D678 IonicContact NZ-OD2 3.18Å; M661-D678 PolarHBondContact O-N 3.31Å; P676-D678 HydrophobicContact CB-CB 4.4Å; D678-I680 PolarHBondContact O-N 3.02Å
679	L	97.8	Very high	95.8	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.042	22%	0.219	C	C	.	.			trans	-69.7	118.7	173.9	-168.1	78.6	0	0	0	109.5	D598 L599 K641 L642 M661 F662 A681	D598-L679 HydrophobicContact CB-CD1 3.53Å; D598-L679 HydrophobicContact CB-CG 4.05Å; L599-L679 HydrophobicContact CB-CD2 4.18Å; L599-L679 HydrophobicContact CB-CG 4.49Å; L599-L679 HydrophobicContact CD1-CD2 4.17Å; K641-L679 HydrophobicContact CB-CD1 4.31Å; K641-L679 HydrophobicContact CD-CD1 4.3Å; L642-L679 HydrophobicContact CD2-CD1 4.39Å; L642-L679 HydrophobicContact CD2-CD2 3.98Å; L642-L679 HydrophobicContact CG-CD1 4.32Å; M661-L679 HydrophobicContact CB-CB 4.07Å; M661-L679 HydrophobicContact CB-CD2 4.04Å; M661-L679 VanDerWaalsContact O-CB 3.29Å; M661-L679 WeakPolarHBondContact O-CB 3.44Å; M661-L679 PolarHBondContact O-N 3.16Å; M661-L679 VanDerWaalsContact O-N 3.13Å; F662-L679 WeakPolarHBondContact CA-O 3.3Å; F662-L679 HydrophobicContact CB-CB 4.21Å; F662-L679 WeakPolarHBondContact CB-O 3.39Å; F662-L679 HydrophobicContact CD1-CD2 4.34Å; L679-A681 PolarHBondContact O-N 3.04Å
680	I	98	Very high	96	Very high	63 Å²	63	41.2 Å²	41.2	32%	0.323	22%	0.216	S	C	.	.			trans	-85	94.5	178	-57.8	178.8	0	0	0	108.2	V594 W597 D598 L599 D678	V594-I680 HydrophobicContact CG1-CG2 4.13Å; W597-I680 HydrophobicContact CB-CG2 4.2Å; D598-I680 PolarHBondContact N-O 3.05Å; D598-I680 PolarHBondContact OD2-N 3.07Å; L599-I680 PolarHBondContact N-O 3.1Å; D678-I680 PolarHBondContact O-N 3.02Å
681	A	98.1	Very high	96	Very high	7 Å²	7	41.8 Å²	41.8	6%	0.058	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	140.3	178.7	0	0	0	0	0	112.3	L599 P623 F662 L679	L599-A681 HydrophobicContact CD2-CB 4.33Å; L599-A681 CarbonylContact O-C 3.55Å; L599-A681 WeakPolarHBondContact O-CA 3.4Å; P623-A681 VanDerWaalsContact CD-O 3.26Å; P623-A681 WeakPolarHBondContact CD-O 3.41Å; P623-A681 HydrophobicContact CG-CB 3.71Å; F662-A681 HydrophobicContact CB-CB 3.73Å; F662-A681 HydrophobicContact CD1-CB 3.59Å; F662-A681 HydrophobicContact CD2-CB 4.2Å; F662-A681 HydrophobicContact CE1-CB 4.19Å; F662-A681 HydrophobicContact CG-CB 3.62Å; L679-A681 PolarHBondContact O-N 3.04Å
682	L	98.4	Very high	96	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	165.8	171.4	-60.9	-179	0	0	0	109.6	A590 V594 W597 L599 L600 Y601 V614 Y622	A590-L682 HydrophobicContact CB-CD1 3.81Å; V594-L682 HydrophobicContact CB-CD1 4.06Å; V594-L682 HydrophobicContact CG1-CD1 4.35Å; V594-L682 HydrophobicContact CG1-CD2 4.3Å; V594-L682 HydrophobicContact CG2-CD1 4.06Å; V594-L682 HydrophobicContact CG2-CD2 4.07Å; W597-L682 HydrophobicContact CB-CD1 3.55Å; W597-L682 HydrophobicContact CB-CG 4.01Å; W597-L682 HydrophobicContact CD2-CD1 4.22Å; W597-L682 HydrophobicContact CG-CD1 3.69Å; L599-L682 PolarHBondContact O-N 3.3Å; L600-L682 CarbonylContact C-O 3.48Å; L600-L682 WeakPolarHBondContact CA-O 3.21Å; L600-L682 HydrophobicContact CB-CB 4.31Å; L600-L682 HydrophobicContact CD1-CB 4.43Å; L600-L682 HydrophobicContact CG-CB 4.02Å; Y601-L682 PolarHBondContact N-O 3.22Å; V614-L682 HydrophobicContact CG2-CD2 3.91Å; Y622-L682 HydrophobicContact CD1-CD2 3.85Å; Y622-L682 HydrophobicContact CE1-CD2 3.67Å
683	S	98	Very high	95.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.7	173.3	177	0	0	0	0	110.1	Y601 R604 L620 T621	Y601-S683 CarbonylContact O-C 3.52Å; Y601-S683 WeakPolarHBondContact O-CA 3.42Å; R604-S683 PolarHBondContact NE-OG 3.02Å; R604-S683 PolarHBondContact NH2-OG 2.73Å; R604-S683 VanDerWaalsContact NH2-OG 3.1Å; L620-S683 WeakPolarHBondContact CA-O 3.49Å; T621-S683 PolarHBondContact N-O 3Å; T621-S683 PolarHBondContact O-N 2.84Å
684	A	98	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	143.3	167.6	0	0	0	0	0	110.9	V586 Y601 S619 P686 L688	V586-A684 HydrophobicContact CG1-CB 4.05Å; V586-A684 HydrophobicContact CG2-CB 4.02Å; Y601-A684 PolarHBondContact O-N 2.62Å; S619-A684 CarbonylContact O-C 3.51Å; S619-A684 WeakPolarHBondContact O-CA 3.44Å; A684-P686 CarbonylContact C-O 3.54Å; A684-P686 WeakPolarHBondContact CB-O 3.4Å; A684-L688 HydrophobicContact CB-CD1 4.42Å; A684-L688 HydrophobicContact CB-CG 3.98Å
685	E	94.4	Very high	94.9	Very high	57 Å²	57	43.7 Å²	43.7	27%	0.266	22%	0.224	S	C	.	.	S	Bend	trans	-139	109.8	174.4	-178.4	69.1	-101.3	0	0	110	R606 S619	R606-E685 IonicContact CZ-OE1 3.07Å; R606-E685 IonicContact CZ-OE2 3.53Å; R606-E685 VanDerWaalsContact NH1-CD 3.31Å; R606-E685 IonicContact NH1-OE1 3.5Å; R606-E685 PolarHBondContact NH1-OE1 2.74Å; R606-E685 VanDerWaalsContact NH1-OE1 3.08Å; R606-E685 IonicContact NH1-OE2 2.85Å; R606-E685 PolarHBondContact NH1-OE2 2.72Å; R606-E685 IonicContact NH2-OE1 3.55Å; R606-E685 PolarHBondContact NH2-OE1 2.9Å; R606-E685 IonicContact NH2-OE2 3.59Å; R606-E685 PolarHBondContact NH2-OE2 2.83Å; S619-E685 WeakPolarHBondContact CA-O 3.39Å; S619-E685 PolarHBondContact O-N 2.79Å
686	P	94	Very high	94.5	Very high	87 Å²	87	41.6 Å²	41.6	57%	0.565	24%	0.235	S	C	*	.	S	Bend	cis	-64.6	166.7	-4.9	30.5	-36.3	0	0	0	112.5	A684	A684-P686 CarbonylContact C-O 3.54Å; A684-P686 WeakPolarHBondContact CB-O 3.4Å
687	L	96.7	Very high	94	Very high	24 Å²	24	42.3 Å²	42.3	13%	0.126	23%	0.232	C	C	.	.			trans	-64.6	150.1	170.6	-65.8	171.5	0	0	0	109.9	R604	R604-L687 HydrophobicContact CG-CD1 4.3Å; R604-L687 HydrophobicContact CG-CD2 4.14Å; R604-L687 WeakPolarHBondContact O-CD1 3.22Å
688	L	97.7	Very high	93.4	Very high	4 Å²	4	48 Å²	48	2%	0.021	26%	0.259	C	S	.	.	S	Bend	trans	-100.7	-17.8	-174.3	-51.4	-175.7	0	0	0	112.7	A576 F579 N582 L583 V586 I602 A684	A576-L688 VanDerWaalsContact CB-O 3.29Å; A576-L688 WeakPolarHBondContact CB-O 3.43Å; A576-L688 PolarHBondContact N-O 2.86Å; F579-L688 HydrophobicContact CD2-CB 3.81Å; F579-L688 WeakPolarHBondContact CD2-O 3.25Å; F579-L688 HydrophobicContact CE2-CB 3.81Å; N582-L688 HydrophobicContact CB-CD2 3.6Å; L583-L688 HydrophobicContact CB-CD1 3.95Å; L583-L688 HydrophobicContact CD1-CD1 3.92Å; V586-L688 HydrophobicContact CG2-CD1 4.27Å; I602-L688 HydrophobicContact CB-CB 4.23Å; I602-L688 HydrophobicContact CB-CD1 4.33Å; I602-L688 HydrophobicContact CB-CG 4.4Å; I602-L688 HydrophobicContact CG2-CD1 4.09Å; I602-L688 PolarHBondContact O-N 2.82Å; A684-L688 HydrophobicContact CB-CD1 4.42Å; A684-L688 HydrophobicContact CB-CG 3.98Å
689	V	97.6	Very high	92.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.3	172.4	-56.9	0	0	0	0	110.2	L573 R574 F575 F579 I602 G603 L630	L573-V689 HydrophobicContact CB-CB 4.32Å; L573-V689 HydrophobicContact CD1-CB 4.15Å; L573-V689 HydrophobicContact CD1-CG1 3.95Å; L573-V689 HydrophobicContact CD2-CB 4.2Å; L573-V689 HydrophobicContact CD2-CG1 4.25Å; L573-V689 HydrophobicContact CD2-CG2 4.14Å; L573-V689 HydrophobicContact CG-CB 4.48Å; R574-V689 VanDerWaalsContact O-CA 3.26Å; R574-V689 WeakPolarHBondContact O-CA 3.49Å; F575-V689 HydrophobicContact CD1-CG1 3.71Å; F575-V689 HydrophobicContact CE1-CG1 4.07Å; F575-V689 HydrophobicContact CG-CG1 4.47Å; F579-V689 HydrophobicContact CD2-CG1 4.16Å; F579-V689 HydrophobicContact CE2-CG1 3.68Å; F579-V689 HydrophobicContact CZ-CG1 4.44Å; I602-V689 HydrophobicContact CD1-CG1 4.35Å; I602-V689 HydrophobicContact CD1-CG2 4.41Å; I602-V689 HydrophobicContact CG1-CG2 4.26Å; I602-V689 PolarHBondContact O-N 3.4Å; I602-V689 VanDerWaalsContact O-N 3.16Å; G603-V689 WeakPolarHBondContact CA-O 3.33Å; L630-V689 HydrophobicContact CB-CG2 4.22Å
690	E	94.8	Very high	92.3	Very high	71 Å²	71	52.7 Å²	52.7	33%	0.332	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	161.9	-178.5	-68.5	-177.3	166.9	0	0	108.9	L573 R574	L573-E690 CarbonylContact C-O 3.55Å; L573-E690 WeakPolarHBondContact CA-O 3.32Å; L573-E690 WeakPolarHBondContact CB-O 3.5Å; R574-E690 HydrophobicContact CG-CB 3.84Å; R574-E690 IonicContact CZ-OE2 2.68Å; R574-E690 VanDerWaalsContact CZ-OE2 3.25Å; R574-E690 PolarHBondContact N-O 3.28Å; R574-E690 IonicContact NE-OE2 3.36Å; R574-E690 PolarHBondContact NE-OE2 2.7Å; R574-E690 IonicContact NH2-OE2 3.49Å; R574-E690 PolarHBondContact NH2-OE2 3.03Å; R574-E690 PolarHBondContact O-N 3.2Å
691	P	94.3	Very high	91.8	Very high	12 Å²	12	54 Å²	54	8%	0.078	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	148.6	174.5	30.8	-35.1	0	0	0	110.4	W628 L630 R693 Y694	W628-P691 HydrophobicContact CH2-CG 4.04Å; W628-P691 HydrophobicContact CZ3-CG 3.74Å; L630-P691 HydrophobicContact CD1-CB 4.44Å; L630-P691 HydrophobicContact CD2-CB 4.29Å; P691-R693 PolarHBondContact O-N 3.29Å; P691-Y694 HydrophobicContact CG-CD1 3.79Å; P691-Y694 HydrophobicContact CG-CD2 4.35Å; P691-Y694 HydrophobicContact CG-CE1 3.46Å; P691-Y694 VanDerWaalsContact CG-CE1 3.46Å; P691-Y694 HydrophobicContact CG-CE2 4.06Å; P691-Y694 HydrophobicContact CG-CG 4.23Å
692	Q	92.3	Very high	91.3	Very high	15 Å²	15	54.6 Å²	54.6	7%	0.07	29%	0.288	C	S	.	.	S	Bend	trans	-61.6	-36.6	173.8	-76	178.7	30.1	0	0	111.7	I445 K492 D572 L573 R574	I445-Q692 HydrophobicContact CD1-CG 4.1Å; I445-Q692 HydrophobicContact CG1-CG 4.26Å; I445-Q692 HydrophobicContact CG2-CB 4.28Å; I445-Q692 HydrophobicContact CG2-CG 4.28Å; K492-Q692 VanDerWaalsContact NZ-OE1 3.1Å; D572-Q692 WeakPolarHBondContact O-CG 3.38Å; D572-Q692 PolarHBondContact O-N 2.93Å; L573-Q692 VanDerWaalsContact O-CG 3.28Å; L573-Q692 WeakPolarHBondContact O-CG 3.3Å; L573-Q692 PolarHBondContact O-NE2 3.19Å; R574-Q692 HydrophobicContact CB-CG 4.47Å
693	R	89.4	Confident	90.8	Very high	59 Å²	59	55.5 Å²	55.5	22%	0.223	29%	0.293	C	S	.	.	S	Bend	trans	-139	139.1	178.4	-59.9	-66.1	177.6	-144.7	-0	110.1	I445 E448 P691 E697 Y700	I445-R693 PolarHBondContact O-NH2 3.31Å; E448-R693 IonicContact OE1-CZ 3.69Å; E448-R693 IonicContact OE1-NE 2.81Å; E448-R693 PolarHBondContact OE1-NE 3.33Å; E448-R693 IonicContact OE1-NH2 3.42Å; E448-R693 PolarHBondContact OE1-NH2 2.86Å; P691-R693 PolarHBondContact O-N 3.29Å; R693-E697 VanDerWaalsContact CA-OE2 3.22Å; R693-E697 WeakPolarHBondContact CA-OE2 3.3Å; R693-E697 HydrophobicContact CB-CB 4.5Å; R693-Y700 HydrophobicContact CB-CD2 4.2Å; R693-Y700 WeakPolarHBondContact O-CD2 3.38Å
694	Y	87.9	Confident	90.2	Very high	81 Å²	81	57.8 Å²	57.8	32%	0.318	31%	0.307	S	S	.	.			trans	-87.2	154.9	171.6	-68.4	-88.1	0	0	0	111.2	W628 P691 G696 E697 Y700	W628-Y694 AromaticContact CH2-CD1 3.8Å; W628-Y694 HydrophobicContact CH2-CD1 3.8Å; W628-Y694 AromaticContact CH2-CE1 3.8Å; W628-Y694 HydrophobicContact CH2-CE1 3.8Å; W628-Y694 HydrophobicContact CZ3-CD1 4.45Å; W628-Y694 HydrophobicContact CZ3-CE1 4.01Å; P691-Y694 HydrophobicContact CG-CD1 3.79Å; P691-Y694 HydrophobicContact CG-CD2 4.35Å; P691-Y694 HydrophobicContact CG-CE1 3.46Å; P691-Y694 VanDerWaalsContact CG-CE1 3.46Å; P691-Y694 HydrophobicContact CG-CE2 4.06Å; P691-Y694 HydrophobicContact CG-CG 4.23Å; Y694-G696 PolarHBondContact O-N 3.39Å; Y694-E697 PolarHBondContact N-OE2 2.85Å; Y694-E697 VanDerWaalsContact O-CB 3.3Å; Y694-E697 WeakPolarHBondContact O-CB 3.27Å; Y694-E697 WeakPolarHBondContact O-CG 3.46Å; Y694-E697 PolarHBondContact O-N 3.36Å; Y694-Y700 WeakPolarHBondContact O-CD2 3.33Å
695	T	83.9	Confident	89.5	Confident	98 Å²	98	60.8 Å²	60.8	60%	0.601	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	126.9	174.9	-47.5	0	0	0	0	110.7	Y700	T695-Y700 HydrophobicContact CG2-CE1 4.05Å; T695-Y700 PolarHBondContact OG1-OH 2.86Å
696	G	83.9	Confident	88.9	Confident	79 Å²	79	62.5 Å²	62.5	81%	0.814	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-10.2	-177.6	0	0	0	0	0	114.6	Y694	Y694-G696 PolarHBondContact O-N 3.39Å
697	E	85.3	Confident	88.5	Confident	84 Å²	84	59.4 Å²	59.4	39%	0.393	31%	0.312	S	S	.	.	S	Bend	trans	-73.4	151.4	170.7	-65.6	-176.7	163	0	0	111.4	R693 Y694 L699 Y700	R693-E697 VanDerWaalsContact CA-OE2 3.22Å; R693-E697 WeakPolarHBondContact CA-OE2 3.3Å; R693-E697 HydrophobicContact CB-CB 4.5Å; Y694-E697 PolarHBondContact N-OE2 2.85Å; Y694-E697 VanDerWaalsContact O-CB 3.3Å; Y694-E697 WeakPolarHBondContact O-CB 3.27Å; Y694-E697 WeakPolarHBondContact O-CG 3.46Å; Y694-E697 PolarHBondContact O-N 3.36Å; E697-L699 PolarHBondContact O-N 2.76Å; E697-Y700 VanDerWaalsContact O-CB 3.28Å; E697-Y700 WeakPolarHBondContact O-CB 3.3Å; E697-Y700 PolarHBondContact O-N 3.18Å; E697-Y700 VanDerWaalsContact O-N 3.12Å
698	K	84.1	Confident	88	Confident	182 Å²	182	65.6 Å²	65.6	79%	0.791	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	135.1	173.9	-164.4	-172.3	176.9	176.6	0	108.8	Y700	K698-Y700 VanDerWaalsContact C-N 3.25Å; K698-Y700 PolarHBondContact O-N 2.7Å
699	L	84.8	Confident	87.3	Confident	99 Å²	99	67.8 Å²	67.8	52%	0.518	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	8.6	-178.3	-47.2	173.9	0	0	0	115.5	E448 E697 I701	E448-L699 HydrophobicContact CG-CD1 3.49Å; E448-L699 VanDerWaalsContact CG-CD1 3.49Å; E448-L699 VanDerWaalsContact OE1-CD1 3.31Å; E448-L699 WeakPolarHBondContact OE1-CD1 3.42Å; E697-L699 PolarHBondContact O-N 2.76Å; L699-I701 PolarHBondContact O-N 3.39Å
700	Y	87.5	Confident	86.6	Confident	85 Å²	85	68.3 Å²	68.3	33%	0.333	35%	0.354	S	S	.	.			trans	-62.4	125.5	168.5	174.9	-96	0	0	0	110.7	R693 Y694 T695 E697 K698	R693-Y700 HydrophobicContact CB-CD2 4.2Å; R693-Y700 WeakPolarHBondContact O-CD2 3.38Å; Y694-Y700 WeakPolarHBondContact O-CD2 3.33Å; T695-Y700 HydrophobicContact CG2-CE1 4.05Å; T695-Y700 PolarHBondContact OG1-OH 2.86Å; E697-Y700 VanDerWaalsContact O-CB 3.28Å; E697-Y700 WeakPolarHBondContact O-CB 3.3Å; E697-Y700 PolarHBondContact O-N 3.18Å; E697-Y700 VanDerWaalsContact O-N 3.12Å; K698-Y700 VanDerWaalsContact C-N 3.25Å; K698-Y700 PolarHBondContact O-N 2.7Å
701	I	86.7	Confident	85.6	Confident	89 Å²	89	73.1 Å²	73.1	46%	0.456	37%	0.371	S	S	.	.			trans	-135.3	132.6	176.1	-60.5	171.2	0	0	0	107.5	R489 L699	R489-I701 PolarHBondContact NH2-O 2.92Å; L699-I701 PolarHBondContact O-N 3.39Å
702	S	88.1	Confident	84.1	Confident	21 Å²	21	76.5 Å²	76.5	15%	0.147	39%	0.391	C	S	.	.			trans	-122.7	114.8	172.4	168.7	0	0	0	0	110.2	T704 E705 D706	S702-T704 VanDerWaalsContact C-N 3.3Å; S702-T704 PolarHBondContact OG-OG1 2.98Å; S702-E705 PolarHBondContact O-N 2.93Å; S702-E705 WeakPolarHBondContact OG-CG 3.44Å; S702-E705 PolarHBondContact OG-N 3.26Å; S702-D706 WeakPolarHBondContact O-CB 3.25Å; S702-D706 PolarHBondContact O-N 3.02Å
703	D	88	Confident	82.1	Confident	18 Å²	18	85.5 Å²	85.5	10%	0.096	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-22.2	177.5	-77.4	-65.5	0	0	0	113	L483 R485 R486 R489	L483-D703 HydrophobicContact CD1-CB 3.51Å; R485-D703 IonicContact CZ-OD1 2.71Å; R485-D703 IonicContact NE-OD1 3.74Å; R485-D703 VanDerWaalsContact NH2-CG 3.34Å; R485-D703 IonicContact NH2-OD1 3.84Å; R485-D703 PolarHBondContact NH2-OD1 2.64Å; R486-D703 IonicContact CZ-OD2 2.68Å; R486-D703 IonicContact NE-OD2 2.73Å; R486-D703 IonicContact NH1-OD1 3.72Å; R486-D703 PolarHBondContact NH1-OD1 2.78Å; R486-D703 IonicContact NH1-OD2 3Å; R486-D703 PolarHBondContact NH1-OD2 3.45Å; R489-D703 IonicContact CZ-OD2 3.05Å; R489-D703 IonicContact NH1-OD2 2.76Å
704	T	84.3	Confident	81.7	Confident	49 Å²	49	86.8 Å²	86.8	30%	0.301	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-38.2	174.6	52.8	0	0	0	0	110.9	C547 S702 S707	C547-T704 HydrophobicContact CB-CG2 3.93Å; S702-T704 VanDerWaalsContact C-N 3.3Å; S702-T704 PolarHBondContact OG-OG1 2.98Å; T704-S707 PolarHBondContact O-OG 3.49Å
705	E	83.2	Confident	81.4	Confident	62 Å²	62	87.1 Å²	87.1	29%	0.29	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-28.4	176.5	-67.6	-64.1	168	0	0	113.2	R538 K541 S702 S707	R538-E705 IonicContact CZ-OE2 3.3Å; R538-E705 IonicContact NH2-OE1 2.99Å; R538-E705 PolarHBondContact NH2-OE1 2.85Å; R538-E705 IonicContact NH2-OE2 2.91Å; R538-E705 PolarHBondContact NH2-OE2 3.38Å; K541-E705 WeakPolarHBondContact CE-O 3.12Å; K541-E705 PolarHBondContact NZ-O 3.34Å; K541-E705 IonicContact NZ-OE2 3.37Å; K541-E705 PolarHBondContact NZ-OE2 3.47Å; S702-E705 PolarHBondContact O-N 2.93Å; S702-E705 WeakPolarHBondContact OG-CG 3.44Å; S702-E705 PolarHBondContact OG-N 3.26Å; E705-S707 PolarHBondContact O-N 3.32Å
706	D	82.7	Confident	81.2	Confident	93 Å²	93	86.5 Å²	86.5	50%	0.497	46%	0.458	S	S	.	.	S	Bend	trans	-82	57.4	175	-174.7	48.8	0	0	0	112.3	K513 S702	K513-D706 WeakPolarHBondContact CE-O 3.5Å; K513-D706 PolarHBondContact NZ-O 2.59Å; K513-D706 IonicContact NZ-OD2 2.67Å; K513-D706 PolarHBondContact NZ-OD2 2.98Å; S702-D706 WeakPolarHBondContact O-CB 3.25Å; S702-D706 PolarHBondContact O-N 3.02Å
707	S	84.4	Confident	81.1	Confident	22 Å²	22	86.9 Å²	86.9	15%	0.154	44%	0.437	C	S	.	.	S	Bend	trans	-150	160.5	175.3	62.2	0	0	0	0	112.5	K541 G543 T704 E705	K541-S707 WeakPolarHBondContact CB-OG 3.35Å; K541-S707 WeakPolarHBondContact CD-O 3.25Å; G543-S707 WeakPolarHBondContact CA-OG 3.47Å; G543-S707 PolarHBondContact N-OG 2.99Å; T704-S707 PolarHBondContact O-OG 3.49Å; E705-S707 PolarHBondContact O-N 3.32Å
708	E	86.2	Confident	80.8	Confident	155 Å²	155	87.1 Å²	87.1	72%	0.724	44%	0.44	S	S	*	.			trans	-66.4	153	-179.4	-65	-174.2	174.7	0	0	112.1	K541 F542	K541-E708 VanDerWaalsContact CA-O 3.31Å; K541-E708 WeakPolarHBondContact CA-O 3.26Å; F542-E708 HydrophobicContact CD2-CB 4.07Å; F542-E708 WeakPolarHBondContact CD2-O 2.95Å; F542-E708 HydrophobicContact CE2-CB 4.42Å; F542-E708 PolarHBondContact N-O 2.69Å
709	I	83.6	Confident	80.6	Confident	49 Å²	49	80.8 Å²	80.8	25%	0.251	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-76	128.7	175.3	-60	174.8	0	0	0	108.5	R538 K541 Y711	R538-I709 HydrophobicContact CB-CD1 4.3Å; K541-I709 HydrophobicContact CG-CG1 4.19Å; I709-Y711 HydrophobicContact CB-CD2 4.49Å; I709-Y711 HydrophobicContact CB-CE2 3.84Å; I709-Y711 HydrophobicContact CG2-CD1 4.42Å; I709-Y711 HydrophobicContact CG2-CD2 4.4Å; I709-Y711 HydrophobicContact CG2-CE1 4.02Å; I709-Y711 HydrophobicContact CG2-CE2 4Å; I709-Y711 VanDerWaalsContact O-CD2 3.3Å; I709-Y711 WeakPolarHBondContact O-CD2 3.28Å; I709-Y711 PolarHBondContact O-N 2.94Å
710	F	82.3	Confident	80.3	Confident	11 Å²	11	79.5 Å²	79.5	5%	0.048	41%	0.409	C	S	.	.			trans	-78.1	111.5	171.4	175.2	-109.1	0	0	0	109.7	M517 F520 S539 L540 F542 I545 T712	M517-F710 HydrophobicContact SD-CE2 4.24Å; F520-F710 HydrophobicContact CD1-CE1 4.4Å; F520-F710 AromaticContact CD1-CE2 3.69Å; F520-F710 HydrophobicContact CD1-CE2 3.69Å; F520-F710 AromaticContact CD1-CZ 3.6Å; F520-F710 HydrophobicContact CD1-CZ 3.6Å; F520-F710 HydrophobicContact CE1-CD1 4.32Å; F520-F710 AromaticContact CE1-CD2 3.7Å; F520-F710 HydrophobicContact CE1-CD2 3.7Å; F520-F710 AromaticContact CE1-CE1 3.92Å; F520-F710 HydrophobicContact CE1-CE1 3.92Å; F520-F710 AromaticContact CE1-CE2 3.25Å; F520-F710 HydrophobicContact CE1-CE2 3.25Å; F520-F710 HydrophobicContact CE1-CG 4.21Å; F520-F710 AromaticContact CE1-CZ 3.38Å; F520-F710 HydrophobicContact CE1-CZ 3.38Å; F520-F710 HydrophobicContact CE2-CE2 4.33Å; F520-F710 HydrophobicContact CG-CE2 4.38Å; F520-F710 AromaticContact CZ-CD2 3.72Å; F520-F710 HydrophobicContact CZ-CD2 3.72Å; F520-F710 AromaticContact CZ-CE2 3.63Å; F520-F710 HydrophobicContact CZ-CE2 3.63Å; F520-F710 HydrophobicContact CZ-CG 4.39Å; F520-F710 HydrophobicContact CZ-CZ 4.22Å; S539-F710 WeakPolarHBondContact CB-O 3.32Å; S539-F710 PolarHBondContact OG-O 3.49Å; L540-F710 WeakPolarHBondContact O-CA 3.39Å; L540-F710 VanDerWaalsContact O-CB 3.27Å; L540-F710 WeakPolarHBondContact O-CB 3.5Å; L540-F710 PolarHBondContact O-N 3.03Å; F542-F710 HydrophobicContact CD2-CB 4.4Å; F542-F710 AromaticContact CE1-CD2 3.96Å; F542-F710 HydrophobicContact CE1-CD2 3.96Å; F542-F710 HydrophobicContact CE2-CB 4.24Å; F542-F710 HydrophobicContact CE2-CD2 4.36Å; F542-F710 HydrophobicContact CZ-CB 4.42Å; F542-F710 AromaticContact CZ-CD2 3.76Å; F542-F710 HydrophobicContact CZ-CD2 3.76Å; I545-F710 HydrophobicContact CD1-CB 3.82Å; I545-F710 HydrophobicContact CD1-CD1 3.97Å; I545-F710 HydrophobicContact CD1-CD2 4.4Å; I545-F710 HydrophobicContact CD1-CG 3.81Å; F710-T712 HydrophobicContact CD1-CG2 4.25Å; F710-T712 HydrophobicContact CE1-CG2 3.49Å; F710-T712 VanDerWaalsContact CE1-CG2 3.49Å; F710-T712 HydrophobicContact CZ-CG2 4.1Å
711	Y	74.3	Confident	79.8	Confident	173 Å²	173	79.1 Å²	79.1	68%	0.678	42%	0.415	S	S	*	.			trans	-95.5	118	173.3	-63.5	-81.5	0	0	0	109.6	I709 T713	I709-Y711 HydrophobicContact CB-CD2 4.49Å; I709-Y711 HydrophobicContact CB-CE2 3.84Å; I709-Y711 HydrophobicContact CG2-CD1 4.42Å; I709-Y711 HydrophobicContact CG2-CD2 4.4Å; I709-Y711 HydrophobicContact CG2-CE1 4.02Å; I709-Y711 HydrophobicContact CG2-CE2 4Å; I709-Y711 VanDerWaalsContact O-CD2 3.3Å; I709-Y711 WeakPolarHBondContact O-CD2 3.28Å; I709-Y711 PolarHBondContact O-N 2.94Å; Y711-T713 PolarHBondContact O-N 3.32Å
712	T	63.2	Low	79.2	Confident	83 Å²	83	78.3 Å²	78.3	51%	0.509	41%	0.412	S	S	.	.			trans	-71.8	114.7	166.6	50.1	0	0	0	0	108.7	Q527 F710	Q527-T712 HydrophobicContact CB-CG2 4.04Å; F710-T712 HydrophobicContact CD1-CG2 4.25Å; F710-T712 HydrophobicContact CE1-CG2 3.49Å; F710-T712 VanDerWaalsContact CE1-CG2 3.49Å; F710-T712 HydrophobicContact CZ-CG2 4.1Å
713	T	49.8	Very low	78.4	Confident	203 Å²	203	83.5 Å²	83.5	100%	1.245	44%	0.436	S	S	*	.			trans	-67.4	0	167.2	49.1	0	0	0	0	112.2	Y711	Y711-T713 PolarHBondContact O-N 3.32Å

Retrieved 713 of 713 residues in 815.7 ms (Link to these results)

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