A0A061I9F9_CRIGR Loading...

Serine/threonine-protein kinase 32C

AlphaFold DB , UniProt , Accession A0A061I9F9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Stk32c, Length 488 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	32	Very low	233 Å²	233	155.5 Å²	155.5	100%	1.148	86%	0.855	S	S	*	*				0	121.5	0	-74.2	169.8	166.9	0	0	107.7
2	R	31.5	Very low	31.9	Very low	241 Å²	241	150.2 Å²	150.2	91%	0.909	85%	0.846	S	S	*	*				59.5	114	120.4	-69.7	-173	175.4	-132.6	-0.1	114.8
3	S	32.8	Very low	31.8	Very low	120 Å²	120	147 Å²	147	84%	0.839	85%	0.85	S	S	*	*				77.2	138.9	92.5	-163.9	0	0	0	0	112.2
4	G	29.6	Very low	31.9	Very low	65 Å²	65	143.4 Å²	143.4	67%	0.67	85%	0.847	S	S	*	*			cis	133.5	117.9	5.2	0	0	0	0	0	111.1
5	A	35.5	Very low	33.3	Very low	101 Å²	101	141.8 Å²	141.8	84%	0.835	84%	0.842	S	S	*	*			trans	68.7	158.5	159	0	0	0	0	0	122.8
6	E	32.5	Very low	34.2	Very low	188 Å²	188	141.2 Å²	141.2	88%	0.879	84%	0.843	S	S	*	*			trans	103.4	151.4	161.3	-56.6	-161.6	115.7	0	0	118.7
7	R	33.6	Very low	34	Very low	211 Å²	211	137.2 Å²	137.2	80%	0.796	84%	0.838	S	S	*	*				171.8	145.8	-57.7	-110.9	-163	-174.7	-143.5	6.6	107.8
8	R	32.8	Very low	34	Very low	236 Å²	236	136.3 Å²	136.3	89%	0.891	84%	0.838	S	S	*	*			trans	70.3	154	172.4	-52	162.4	-172	-99.8	5.5	113.8
9	G	28.7	Very low	34.5	Very low	68 Å²	68	135.5 Å²	135.5	70%	0.701	84%	0.835	S	S	*	*			cis	143	147.5	2.3	0	0	0	0	0	109.4
10	S	30.3	Very low	35.1	Very low	123 Å²	123	134.3 Å²	134.3	86%	0.86	83%	0.83	S	S	*	*			cis	-167.8	-169.1	3.2	-65.3	0	0	0	0	109.5
11	S	29.6	Very low	35.6	Very low	125 Å²	125	134.2 Å²	134.2	87%	0.874	83%	0.832	S	S	*	*			trans	93.1	141.7	161.7	-156.5	0	0	0	0	118.1
12	A	30.6	Very low	35.4	Very low	91 Å²	91	127 Å²	127	75%	0.752	82%	0.816	S	S	*	*			cis	-172.5	152.8	-25.6	0	0	0	0	0	109.7
13	A	31	Very low	35.4	Very low	109 Å²	109	127.3 Å²	127.3	90%	0.901	82%	0.817	S	S	*	*			trans	172.8	159.3	150.5	0	0	0	0	0	111.9
14	A	32.9	Very low	35.2	Very low	97 Å²	97	126 Å²	126	80%	0.802	81%	0.814	S	S	*	*			trans	-124.5	175.1	-169.5	0	0	0	0	0	112.9
15	P	53.2	Low	35.2	Very low	119 Å²	119	134.4 Å²	134.4	77%	0.773	83%	0.825	S	S	*	*			trans	-98.5	-169.2	-159.7	45.9	-41.4	0	0	0	113.1
16	P	47.1	Very low	35.4	Very low	132 Å²	132	135.5 Å²	135.5	86%	0.857	82%	0.824	S	S	*	*				-137.4	-175.6	64.7	26.4	-1.7	0	0	0	113.2
17	G	31.2	Very low	35.2	Very low	73 Å²	73	131.4 Å²	131.4	75%	0.753	82%	0.823	S	S	*	*			cis	177.5	-170.2	0	0	0	0	0	0	112.5
18	S	34.3	Very low	34.9	Very low	121 Å²	121	124.7 Å²	124.7	85%	0.846	82%	0.819	S	S	*	*			trans	-127.5	167.2	169.9	-41.6	0	0	0	0	108
19	P	43.7	Very low	34.7	Very low	121 Å²	121	118.7 Å²	118.7	79%	0.786	81%	0.813	S	S	*	*			cis	-146.5	-137.8	43.3	41.9	-17.1	0	0	0	111.2
20	P	45.8	Very low	34.9	Very low	111 Å²	111	123.7 Å²	123.7	72%	0.721	82%	0.824	S	S	*	*			cis	-131.3	-178.4	-22.9	38	-19	0	0	0	115
21	P	46.6	Very low	35	Very low	134 Å²	134	122.1 Å²	122.1	87%	0.87	82%	0.818	S	S	*	*			trans	-94.7	159.9	173.2	36.5	-34.4	0	0	0	115.2
22	G	31.2	Very low	35.2	Very low	80 Å²	80	122.5 Å²	122.5	83%	0.825	82%	0.818	S	S	*	*			trans	-142.5	163.5	-177.9	0	0	0	0	0	115.2
23	R	29.6	Very low	35.3	Very low	248 Å²	248	124.8 Å²	124.8	94%	0.936	82%	0.823	S	S	*	*			trans	-112.6	153.1	-158.8	-74.3	174.8	162.3	-177.4	-5	116.8
24	A	29	Very low	35.3	Very low	93 Å²	93	124.1 Å²	124.1	77%	0.769	82%	0.817	S	S	*	*			trans	71.3	122.7	136.8	0	0	0	0	0	124.6
25	R	31.1	Very low	35.4	Very low	241 Å²	241	127.6 Å²	127.6	91%	0.909	82%	0.821	S	S	*	*				28.4	143	129	-80	-172.2	178.7	-160	-0	121.1
26	P	37.8	Very low	34.7	Very low	124 Å²	124	127.1 Å²	127.1	81%	0.805	82%	0.818	S	S	*	*				-136.3	155.2	64.1	30	-9.2	0	0	0	114.6
27	A	29.5	Very low	34.2	Very low	103 Å²	103	126.6 Å²	126.6	85%	0.851	81%	0.814	S	S	*	*				99.1	134.5	59.1	0	0	0	0	0	114.1
28	G	27.3	Very low	34.3	Very low	69 Å²	69	129.4 Å²	129.4	71%	0.711	82%	0.82	S	S	*	*			trans	129.7	83.4	-175.4	0	0	0	0	0	111.1
29	S	29.1	Very low	34.2	Very low	110 Å²	110	128.4 Å²	128.4	77%	0.769	82%	0.818	S	S	*	*				80.7	94.8	80.2	68.7	0	0	0	0	114
30	D	31.1	Very low	33.8	Very low	173 Å²	173	127.6 Å²	127.6	93%	0.925	82%	0.822	S	S	*	*				-169.9	151.1	122.6	-92.9	-20.5	0	0	0	110.6
31	A	33.1	Very low	33	Very low	91 Å²	91	127.8 Å²	127.8	75%	0.752	83%	0.826	S	S	*	*			trans	-126.4	158.4	-174.7	0	0	0	0	0	111.2
32	P	34.4	Very low	32.3	Very low	132 Å²	132	130.3 Å²	130.3	86%	0.857	83%	0.826	S	S	*	*				-132.8	158.7	127.2	34	-23.2	0	0	0	114.4
33	T	31.4	Very low	32.3	Very low	140 Å²	140	132.6 Å²	132.6	86%	0.859	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-80.8	139	-164.3	-38.8	0	0	0	0	113.8
34	A	32.1	Very low	32.3	Very low	94 Å²	94	132.2 Å²	132.2	78%	0.777	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-91.2	143.7	169	0	0	0	0	0	112
35	L	34.3	Very low	32.5	Very low	171 Å²	171	132.6 Å²	132.6	90%	0.895	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-84	149	-178.3	-72.7	163.5	0	0	0	112.6
36	P	39.1	Very low	32.4	Very low	109 Å²	109	132.9 Å²	132.9	71%	0.708	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-83.5	158.6	177.8	34.7	-35.5	0	0	0	113
37	P	37.3	Very low	32.1	Very low	120 Å²	120	135 Å²	135	78%	0.779	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-75.9	148	174.9	32.3	-34.9	0	0	0	112
38	P	33.4	Very low	32.1	Very low	133 Å²	133	134.2 Å²	134.2	86%	0.864	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-76.6	147.3	179.9	31.1	-34.3	0	0	0	112.8
39	A	32	Very low	32.6	Very low	99 Å²	99	134.9 Å²	134.9	82%	0.818	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-80.1	161.3	-175	0	0	0	0	0	114.1
40	A	34.3	Very low	32.6	Very low	105 Å²	105	137.3 Å²	137.3	87%	0.868	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-63.5	136.7	178.3	0	0	0	0	0	113.1
41	S	29.8	Very low	32.7	Very low	115 Å²	115	133.1 Å²	133.1	80%	0.804	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-102.8	129.7	168.3	46.4	0	0	0	0	110.7
42	Q	31.6	Very low	32.7	Very low	186 Å²	186	140.5 Å²	140.5	87%	0.869	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-71.2	138.4	174	-64.5	173.2	-10.2	0	0	110.5
43	P	31.4	Very low	32.6	Very low	129 Å²	129	138.7 Å²	138.7	84%	0.838	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-76.8	123.9	168.1	30.6	-31.1	0	0	0	110.4
44	R	28.2	Very low	32.7	Very low	239 Å²	239	140 Å²	140	90%	0.902	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-70.5	143.5	165.5	-81.6	177.7	164.7	176.4	-5.7	110	R46	R44-R46 PolarHBondContact O-N 3.1Å
45	A	34.7	Very low	32.8	Very low	102 Å²	102	141.6 Å²	141.6	84%	0.843	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-61.7	131.4	168.9	0	0	0	0	0	111.5
46	R	29.3	Very low	32.9	Very low	247 Å²	247	144.7 Å²	144.7	93%	0.932	83%	0.832	S	S	*	*			trans	-138.9	144	152.4	-81.8	-166.6	171.5	177.7	-2.9	108.7	R44	R44-R46 PolarHBondContact O-N 3.1Å
47	D	30.1	Very low	32.8	Very low	167 Å²	167	144 Å²	144	89%	0.893	83%	0.827	S	S	*	*			trans	-90.5	178.5	-167.8	-150.1	-19.3	0	0	0	112.2
48	A	29.9	Very low	33.2	Very low	88 Å²	88	147.1 Å²	147.1	73%	0.727	84%	0.836	S	S	*	*			trans	74.8	91.1	169.6	0	0	0	0	0	118
49	G	38.5	Very low	33.7	Very low	82 Å²	82	144.9 Å²	144.9	85%	0.845	81%	0.813	S	S	*	*				56.6	100.1	122.5	0	0	0	0	0	120.1
50	D	28.7	Very low	34.6	Very low	161 Å²	161	144.5 Å²	144.5	86%	0.861	80%	0.795	S	S	*	*			trans	-141.2	137.9	136.6	-157	-6.3	0	0	0	110.6	R52	D50-R52 PolarHBondContact O-N 3.05Å
51	A	33.5	Very low	35.1	Very low	85 Å²	85	141.6 Å²	141.6	70%	0.702	76%	0.761	S	S	*	*			trans	-79.5	105	-176.9	0	0	0	0	0	109.1	A53	A51-A53 PolarHBondContact O-N 3.15Å
52	R	32.9	Very low	36	Very low	246 Å²	246	140.5 Å²	140.5	93%	0.928	75%	0.754	S	S	*	*			trans	-59.8	95.7	179.6	-161.6	176.9	-167.5	-178.8	3.2	110.2	D50 Q54	D50-R52 PolarHBondContact O-N 3.05Å; R52-Q54 PolarHBondContact O-N 3.26Å
53	A	32.9	Very low	37	Very low	95 Å²	95	138 Å²	138	79%	0.785	74%	0.74	S	S	*	*			trans	-61.1	110.8	-172.6	0	0	0	0	0	110.7	A51	A51-A53 PolarHBondContact O-N 3.15Å
54	Q	33.4	Very low	37.8	Very low	168 Å²	168	133.8 Å²	133.8	79%	0.785	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-60	146.6	164.8	-65.1	-176.1	1.4	0	0	109	R52 R56	R52-Q54 PolarHBondContact O-N 3.26Å; Q54-R56 PolarHBondContact O-N 3.05Å; Q54-R56 VanDerWaalsContact O-N 3.13Å
55	P	34.1	Very low	38.6	Very low	127 Å²	127	129.5 Å²	129.5	83%	0.825	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-56.8	122.6	176.2	24	-33.2	0	0	0	109.4
56	R	34.9	Very low	39.3	Very low	235 Å²	235	131.3 Å²	131.3	89%	0.887	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-61.5	138.4	-177	-69.3	-176.9	176.2	-170	-0.8	109.5	Q54 L58	Q54-R56 PolarHBondContact O-N 3.05Å; Q54-R56 VanDerWaalsContact O-N 3.13Å; R56-L58 PolarHBondContact O-N 3.27Å
57	P	37.8	Very low	40.2	Very low	95 Å²	95	128 Å²	128	62%	0.617	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-58.6	126.7	178.6	-22.1	31.8	0	0	0	110.8	F59	P57-F59 PolarHBondContact O-N 3.25Å
58	L	45.1	Very low	40.9	Very low	185 Å²	185	123.7 Å²	123.7	97%	0.969	65%	0.647	S	S	*	*	S	Bend	trans	-64	-20.9	174	-79	162.7	0	0	0	112.2	R56	R56-L58 PolarHBondContact O-N 3.27Å
59	F	44.6	Very low	41.4	Very low	87 Å²	87	122.7 Å²	122.7	38%	0.382	63%	0.634	S	S	.	*			trans	-150.1	151.6	-175.9	-160.6	-108.5	0	0	0	112.5	P57 W64	P57-F59 PolarHBondContact O-N 3.25Å; F59-W64 HydrophobicContact CE1-CB 3.78Å; F59-W64 HydrophobicContact CE1-CG 4.03Å; F59-W64 HydrophobicContact CE2-CB 4.22Å; F59-W64 AromaticContact CE2-CD1 3.87Å; F59-W64 HydrophobicContact CE2-CG 4.25Å; F59-W64 HydrophobicContact CZ-CB 3.44Å; F59-W64 VanDerWaalsContact CZ-CB 3.44Å; F59-W64 AromaticContact CZ-CD1 3.33Å; F59-W64 HydrophobicContact CZ-CD2 4.23Å; F59-W64 AromaticContact CZ-CG 3.38Å; F59-W64 HydrophobicContact CZ-CG 3.38Å
60	Q	50.3	Low	41.4	Very low	91 Å²	91	124.2 Å²	124.2	43%	0.425	62%	0.621	S	S	.	*			trans	-135.5	111.3	175.4	-72.5	-177	-20.7	0	0	109.4	S62 K63 W64	Q60-S62 VanDerWaalsContact C-N 3.31Å; Q60-S62 PolarHBondContact O-N 3.12Å; Q60-K63 HydrophobicContact CB-CB 4.28Å; Q60-K63 HydrophobicContact CB-CD 4.32Å; Q60-K63 HydrophobicContact CB-CG 4.34Å; Q60-K63 WeakPolarHBondContact O-CB 3.43Å; Q60-K63 PolarHBondContact O-N 2.83Å; Q60-K63 VanDerWaalsContact OE1-CD 3.23Å; Q60-W64 PolarHBondContact O-N 3.09Å; Q60-W64 VanDerWaalsContact O-N 3.13Å
61	W	44.8	Very low	41.9	Very low	44 Å²	44	120.5 Å²	120.5	17%	0.167	61%	0.608	C	S	.	*	H	α-helix	trans	-50.6	-45.3	-177.6	-179.2	-115.7	0	0	0	113.7	K63 W64 K65 M119 L175 G376	W61-K63 VanDerWaalsContact C-N 3.26Å; W61-K63 PolarHBondContact O-N 3.46Å; W61-W64 HydrophobicContact CE3-CE3 4.18Å; W61-W64 HydrophobicContact CH2-CZ3 4.17Å; W61-W64 HydrophobicContact CZ3-CE3 4.01Å; W61-W64 AromaticContact CZ3-CZ3 3.97Å; W61-W64 HydrophobicContact CZ3-CZ3 3.97Å; W61-W64 CarbonylContact O-C 3.54Å; W61-W64 WeakPolarHBondContact O-CA 3.29Å; W61-W64 PolarHBondContact O-N 2.93Å; W61-K65 PolarHBondContact O-N 3.1Å; W61-M119 HydrophobicContact CH2-CE 4.46Å; W61-L175 HydrophobicContact CZ2-CD1 4.37Å; W61-G376 WeakPolarHBondContact CB-O 3.38Å; W61-G376 PolarHBondContact N-O 3.34Å
62	S	49.9	Very low	42.2	Very low	92 Å²	92	120.9 Å²	120.9	64%	0.643	61%	0.605	S	S	*	*	H	α-helix	trans	-61.2	-33.6	179.8	-36	0	0	0	0	112.8	Q60 K66	Q60-S62 VanDerWaalsContact C-N 3.31Å; Q60-S62 PolarHBondContact O-N 3.12Å; S62-K66 VanDerWaalsContact O-CB 3.25Å; S62-K66 WeakPolarHBondContact O-CB 3.25Å; S62-K66 PolarHBondContact O-N 2.85Å; S62-K66 VanDerWaalsContact O-N 3.13Å
63	K	52.2	Low	42.5	Very low	132 Å²	132	115.1 Å²	115.1	57%	0.574	59%	0.592	S	S	*	*	H	α-helix	trans	-74.7	-31.1	173.3	-74.1	-177.1	178.4	153.1	0	112.1	Q60 W61 R67	Q60-K63 HydrophobicContact CB-CB 4.28Å; Q60-K63 HydrophobicContact CB-CD 4.32Å; Q60-K63 HydrophobicContact CB-CG 4.34Å; Q60-K63 WeakPolarHBondContact O-CB 3.43Å; Q60-K63 PolarHBondContact O-N 2.83Å; Q60-K63 VanDerWaalsContact OE1-CD 3.23Å; W61-K63 VanDerWaalsContact C-N 3.26Å; W61-K63 PolarHBondContact O-N 3.46Å; K63-R67 WeakPolarHBondContact O-CB 3.43Å; K63-R67 VanDerWaalsContact O-CG 3.28Å; K63-R67 WeakPolarHBondContact O-CG 3.38Å; K63-R67 PolarHBondContact O-N 3.46Å
64	W	47.7	Very low	42.8	Very low	42 Å²	42	115.3 Å²	115.3	16%	0.159	59%	0.587	C	S	.	*	H	α-helix	trans	-74.6	-45.8	175.6	-175.3	85.9	0	0	0	112.4	F59 Q60 W61 K66 R67 M68 L97	F59-W64 HydrophobicContact CE1-CB 3.78Å; F59-W64 HydrophobicContact CE1-CG 4.03Å; F59-W64 HydrophobicContact CE2-CB 4.22Å; F59-W64 AromaticContact CE2-CD1 3.87Å; F59-W64 HydrophobicContact CE2-CG 4.25Å; F59-W64 HydrophobicContact CZ-CB 3.44Å; F59-W64 VanDerWaalsContact CZ-CB 3.44Å; F59-W64 AromaticContact CZ-CD1 3.33Å; F59-W64 HydrophobicContact CZ-CD2 4.23Å; F59-W64 AromaticContact CZ-CG 3.38Å; F59-W64 HydrophobicContact CZ-CG 3.38Å; Q60-W64 PolarHBondContact O-N 3.09Å; Q60-W64 VanDerWaalsContact O-N 3.13Å; W61-W64 HydrophobicContact CE3-CE3 4.18Å; W61-W64 HydrophobicContact CH2-CZ3 4.17Å; W61-W64 HydrophobicContact CZ3-CE3 4.01Å; W61-W64 AromaticContact CZ3-CZ3 3.97Å; W61-W64 HydrophobicContact CZ3-CZ3 3.97Å; W61-W64 CarbonylContact O-C 3.54Å; W61-W64 WeakPolarHBondContact O-CA 3.29Å; W61-W64 PolarHBondContact O-N 2.93Å; W64-K66 PolarHBondContact O-N 2.95Å; W64-R67 CarbonylContact O-C 3.6Å; W64-R67 WeakPolarHBondContact O-CA 3.45Å; W64-R67 WeakPolarHBondContact O-CB 3.1Å; W64-R67 PolarHBondContact O-N 3.24Å; W64-M68 HydrophobicContact CD2-CG 4.1Å; W64-M68 HydrophobicContact CE3-CG 4.36Å; W64-M68 HydrophobicContact CH2-CG 4.14Å; W64-M68 HydrophobicContact CZ2-CE 3.55Å; W64-M68 HydrophobicContact CZ2-CG 3.89Å; W64-M68 HydrophobicContact CZ3-CG 4.37Å; W64-M68 PolarHBondContact O-N 2.96Å; W64-L97 HydrophobicContact CH2-CB 4.06Å; W64-L97 HydrophobicContact CH2-CD1 4.15Å; W64-L97 HydrophobicContact CH2-CD2 4.21Å; W64-L97 HydrophobicContact CH2-CG 4.38Å; W64-L97 HydrophobicContact CZ2-CB 4.42Å
65	K	45.2	Very low	43.1	Very low	148 Å²	148	112.3 Å²	112.3	64%	0.643	59%	0.591	S	S	*	*	H	α-helix	trans	-55.6	-42	171.3	-170.5	170.3	-176.4	171.9	0	110.9	W61 S69	W61-K65 PolarHBondContact O-N 3.1Å; K65-S69 VanDerWaalsContact O-CB 3.29Å; K65-S69 WeakPolarHBondContact O-CB 3.3Å; K65-S69 PolarHBondContact O-N 2.72Å
66	K	49.2	Very low	43.1	Very low	140 Å²	140	109.9 Å²	109.9	61%	0.609	58%	0.582	S	S	*	*	H	α-helix	trans	-68.7	-34.9	173.8	-164.1	171.4	-172.4	173.3	0	113.6	S62 W64 M70	S62-K66 VanDerWaalsContact O-CB 3.25Å; S62-K66 WeakPolarHBondContact O-CB 3.25Å; S62-K66 PolarHBondContact O-N 2.85Å; S62-K66 VanDerWaalsContact O-N 3.13Å; W64-K66 PolarHBondContact O-N 2.95Å; K66-M70 HydrophobicContact CD-CE 4.44Å; K66-M70 HydrophobicContact CG-CE 4.14Å; K66-M70 WeakPolarHBondContact O-CG 3.26Å; K66-M70 PolarHBondContact O-N 3.16Å
67	R	48.2	Very low	43.5	Very low	177 Å²	177	104.8 Å²	104.8	67%	0.668	58%	0.582	S	S	*	*	H	α-helix	trans	-68	-42.5	173	-83.9	172	62.1	165.3	-2.2	112.1	K63 W64 M70 S71	K63-R67 WeakPolarHBondContact O-CB 3.43Å; K63-R67 VanDerWaalsContact O-CG 3.28Å; K63-R67 WeakPolarHBondContact O-CG 3.38Å; K63-R67 PolarHBondContact O-N 3.46Å; W64-R67 CarbonylContact O-C 3.6Å; W64-R67 WeakPolarHBondContact O-CA 3.45Å; W64-R67 WeakPolarHBondContact O-CB 3.1Å; W64-R67 PolarHBondContact O-N 3.24Å; R67-M70 CarbonylContact O-C 3.59Å; R67-M70 PolarHBondContact O-N 2.98Å; R67-M70 VanDerWaalsContact O-N 3.12Å; R67-S71 PolarHBondContact O-N 3.09Å; R67-S71 PolarHBondContact O-OG 2.89Å
68	M	44.8	Very low	43.7	Very low	78 Å²	78	106.1 Å²	106.1	38%	0.384	59%	0.588	S	S	.	*	H	α-helix	trans	-66.5	-41.1	175.6	-71.6	-56.9	-179.1	0	0	111.5	W64 M70 S71 S72	W64-M68 HydrophobicContact CD2-CG 4.1Å; W64-M68 HydrophobicContact CE3-CG 4.36Å; W64-M68 HydrophobicContact CH2-CG 4.14Å; W64-M68 HydrophobicContact CZ2-CE 3.55Å; W64-M68 HydrophobicContact CZ2-CG 3.89Å; W64-M68 HydrophobicContact CZ3-CG 4.37Å; W64-M68 PolarHBondContact O-N 2.96Å; M68-M70 PolarHBondContact O-N 3.07Å; M68-S71 PolarHBondContact O-N 3.29Å; M68-S72 PolarHBondContact O-N 3.1Å; M68-S72 VanDerWaalsContact O-N 3.12Å; M68-S72 PolarHBondContact O-OG 2.76Å; M68-S72 VanDerWaalsContact O-OG 3.11Å
69	S	41.7	Very low	43.9	Very low	66 Å²	66	107.8 Å²	107.8	46%	0.462	58%	0.582	S	S	.	*	H	α-helix	trans	-62.6	-23.1	169.9	176.2	0	0	0	0	114	K65 S72 I73	K65-S69 VanDerWaalsContact O-CB 3.29Å; K65-S69 WeakPolarHBondContact O-CB 3.3Å; K65-S69 PolarHBondContact O-N 2.72Å; S69-S72 WeakPolarHBondContact CA-OG 3.42Å; S69-S72 PolarHBondContact O-OG 2.94Å; S69-I73 WeakPolarHBondContact O-CD1 3.37Å; S69-I73 VanDerWaalsContact O-CG1 3.25Å; S69-I73 WeakPolarHBondContact O-CG1 3.45Å
70	M	37.3	Very low	44.3	Very low	114 Å²	114	112.1 Å²	112.1	56%	0.562	60%	0.596	S	S	*	*	H	α-helix	trans	-86.2	-34.9	171.3	-76.7	179.1	-175.9	0	0	112.6	K66 R67 M68 S72 I73	K66-M70 HydrophobicContact CD-CE 4.44Å; K66-M70 HydrophobicContact CG-CE 4.14Å; K66-M70 WeakPolarHBondContact O-CG 3.26Å; K66-M70 PolarHBondContact O-N 3.16Å; R67-M70 CarbonylContact O-C 3.59Å; R67-M70 PolarHBondContact O-N 2.98Å; R67-M70 VanDerWaalsContact O-N 3.12Å; M68-M70 PolarHBondContact O-N 3.07Å; M70-S72 PolarHBondContact O-N 3.08Å; M70-I73 PolarHBondContact O-N 3.29Å
71	S	39.1	Very low	44.6	Very low	84 Å²	84	110.5 Å²	110.5	59%	0.587	59%	0.593	S	S	*	*	H	α-helix	trans	-63.4	-24.5	174	-63.9	0	0	0	0	112.6	R67 M68 I73	R67-S71 PolarHBondContact O-N 3.09Å; R67-S71 PolarHBondContact O-OG 2.89Å; M68-S71 PolarHBondContact O-N 3.29Å; S71-I73 VanDerWaalsContact C-N 3.34Å
72	S	40	Very low	45	Very low	93 Å²	93	115.1 Å²	115.1	65%	0.65	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-1.7	170.3	46.3	0	0	0	0	114.6	M68 S69 M70	M68-S72 PolarHBondContact O-N 3.1Å; M68-S72 VanDerWaalsContact O-N 3.12Å; M68-S72 PolarHBondContact O-OG 2.76Å; M68-S72 VanDerWaalsContact O-OG 3.11Å; S69-S72 WeakPolarHBondContact CA-OG 3.42Å; S69-S72 PolarHBondContact O-OG 2.94Å; M70-S72 PolarHBondContact O-N 3.08Å
73	I	39.6	Very low	45.7	Very low	125 Å²	125	113.2 Å²	113.2	64%	0.641	61%	0.606	S	S	*	*			trans	-101.3	0.6	-179.7	-68.4	170.7	0	0	0	112.5	S69 M70 S71 A75	S69-I73 WeakPolarHBondContact O-CD1 3.37Å; S69-I73 VanDerWaalsContact O-CG1 3.25Å; S69-I73 WeakPolarHBondContact O-CG1 3.45Å; M70-I73 PolarHBondContact O-N 3.29Å; S71-I73 VanDerWaalsContact C-N 3.34Å; I73-A75 VanDerWaalsContact C-N 3.26Å; I73-A75 PolarHBondContact O-N 3.21Å
74	S	38.2	Very low	46.3	Very low	98 Å²	98	111 Å²	111	69%	0.685	60%	0.601	S	S	*	*	S	Bend	trans	-76.5	74	173	69	0	0	0	0	113	A76	S74-A76 PolarHBondContact O-N 3.16Å; S74-A76 VanDerWaalsContact O-N 3.12Å
75	A	40.2	Very low	47	Very low	105 Å²	105	115 Å²	115	87%	0.868	63%	0.625	S	S	*	*	S	Bend	trans	34.6	62	151.3	0	0	0	0	0	118.1	I73	I73-A75 VanDerWaalsContact C-N 3.26Å; I73-A75 PolarHBondContact O-N 3.21Å
76	A	34.1	Very low	48	Very low	77 Å²	77	116.4 Å²	116.4	64%	0.636	63%	0.631	S	S	*	*			trans	-140.5	137.9	149	0	0	0	0	0	108.7	S74 T78	S74-A76 PolarHBondContact O-N 3.16Å; S74-A76 VanDerWaalsContact O-N 3.12Å; A76-T78 PolarHBondContact O-N 3.05Å
77	S	42.8	Very low	49.4	Very low	127 Å²	127	115.2 Å²	115.2	89%	0.888	63%	0.628	S	S	*	*			trans	-75.2	69.6	178.8	-173.8	0	0	0	0	110.6	R79	S77-R79 PolarHBondContact O-N 3Å; S77-R79 VanDerWaalsContact O-N 3.09Å
78	T	41.9	Very low	51.2	Low	123 Å²	123	110.7 Å²	110.7	76%	0.755	62%	0.617	S	S	*	*			trans	-75.6	98.6	175.6	-43.4	0	0	0	0	107.7	A76 R80	A76-T78 PolarHBondContact O-N 3.05Å; T78-R80 PolarHBondContact O-N 3.22Å
79	R	50.7	Low	53.3	Low	220 Å²	220	107.4 Å²	107.4	83%	0.83	60%	0.601	S	S	*	*			trans	-49.1	139.6	163.9	-65.7	178.7	177.2	-178.4	-2.4	107.9	S77	S77-R79 PolarHBondContact O-N 3Å; S77-R79 VanDerWaalsContact O-N 3.09Å
80	R	52.8	Low	55.6	Low	179 Å²	179	107.1 Å²	107.1	68%	0.675	59%	0.594	S	S	*	*			trans	-48	132.3	170.2	-73.2	-176.7	174.9	168.5	-3.2	108	T78 V82	T78-R80 PolarHBondContact O-N 3.22Å; R80-V82 PolarHBondContact O-N 2.94Å
81	P	55.4	Low	58.1	Low	57 Å²	57	103.3 Å²	103.3	37%	0.37	58%	0.575	S	S	.	*			trans	-60.7	109.4	174.2	25.3	-32	0	0	0	107.7	F83 R114	P81-F83 HydrophobicContact CB-CD2 4.29Å; P81-F83 HydrophobicContact CB-CE2 3.67Å; P81-F83 HydrophobicContact CB-CZ 3.97Å; P81-F83 HydrophobicContact CG-CE2 3.7Å; P81-F83 HydrophobicContact CG-CZ 4.23Å; P81-F83 WeakPolarHBondContact O-CD2 3.32Å; P81-F83 PolarHBondContact O-N 3Å; P81-R114 HydrophobicContact CG-CB 3.98Å
82	V	54.7	Low	60.5	Low	141 Å²	141	103 Å²	103	86%	0.855	57%	0.566	S	S	*	*			trans	-80.6	99.5	172.7	-177.1	0	0	0	0	105.5	R80	R80-V82 PolarHBondContact O-N 2.94Å
83	F	64.8	Low	62.9	Low	52 Å²	52	98.9 Å²	98.9	23%	0.228	54%	0.537	C	S	.	.			trans	-76.2	143.3	165.4	-60.6	-85.3	0	0	0	107.8	P81 H93 R114 D115	P81-F83 HydrophobicContact CB-CD2 4.29Å; P81-F83 HydrophobicContact CB-CE2 3.67Å; P81-F83 HydrophobicContact CB-CZ 3.97Å; P81-F83 HydrophobicContact CG-CE2 3.7Å; P81-F83 HydrophobicContact CG-CZ 4.23Å; P81-F83 WeakPolarHBondContact O-CD2 3.32Å; P81-F83 PolarHBondContact O-N 3Å; F83-H93 AromaticContact CD1-CD2 3.3Å; F83-H93 WeakPolarHBondContact CD1-CD2 3.34Å; F83-H93 AromaticContact CD1-CE1 3.88Å; F83-H93 AromaticContact CD1-CG 3.96Å; F83-H93 AromaticContact CD1-NE2 3.26Å; F83-H93 VanDerWaalsContact CD1-NE2 3.26Å; F83-H93 WeakPolarHBondContact CD1-NE2 3.47Å; F83-H93 AromaticContact CD2-CD2 3.98Å; F83-H93 HydrophobicContact CE1-CB 4.47Å; F83-H93 AromaticContact CE1-CD2 3.7Å; F83-H93 AromaticContact CE1-CG 3.9Å; F83-H93 AromaticContact CE1-NE2 3.96Å; F83-H93 AromaticContact CG-CD2 3.45Å; F83-H93 VanDerWaalsContact CG-CD2 3.45Å; F83-H93 WeakPolarHBondContact CG-CD2 3.48Å; F83-H93 AromaticContact CG-NE2 3.62Å; F83-H93 HydrophobicContact CZ-CB 4.45Å; F83-R114 HydrophobicContact CE2-CB 3.91Å; F83-R114 HydrophobicContact CZ-CB 4.28Å; F83-D115 HydrophobicContact CD2-CB 4.15Å
84	D	63.8	Low	65.4	Low	86 Å²	86	93 Å²	93	46%	0.46	51%	0.507	S	S	.	.			trans	-72	128.2	174.2	-172.7	-14.5	0	0	0	108.2	K86 E87	D84-K86 PolarHBondContact O-N 3.3Å; D84-K86 WeakPolarHBondContact OD1-CB 3.33Å; D84-K86 WeakPolarHBondContact OD1-CG 3.29Å; D84-K86 PolarHBondContact OD1-N 3.14Å; D84-E87 HydrophobicContact CB-CG 4.23Å; D84-E87 PolarHBondContact O-N 3.12Å
85	D	62.8	Low	67.9	Low	124 Å²	124	92.1 Å²	92.1	66%	0.663	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-12.6	174.3	-78.8	-65.6	0	0	0	112.7	R444	D85-R444 IonicContact OD1-CZ 2.76Å; D85-R444 IonicContact OD1-NH1 3.73Å; D85-R444 PolarHBondContact OD1-NH1 3.24Å; D85-R444 IonicContact OD1-NH2 3.69Å
86	K	66.1	Low	70.2	Confident	178 Å²	178	88.5 Å²	88.5	77%	0.774	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-18.4	173.5	-61.2	177.4	-178.7	177.9	0	114.8	D84	D84-K86 PolarHBondContact O-N 3.3Å; D84-K86 WeakPolarHBondContact OD1-CB 3.33Å; D84-K86 WeakPolarHBondContact OD1-CG 3.29Å; D84-K86 PolarHBondContact OD1-N 3.14Å
87	E	78.5	Confident	72.7	Confident	116 Å²	116	86.2 Å²	86.2	54%	0.542	44%	0.435	S	S	.	.	S	Bend	trans	-78.6	140.8	177	-77.8	-172.4	171.5	0	0	110.8	D84	D84-E87 HydrophobicContact CB-CG 4.23Å; D84-E87 PolarHBondContact O-N 3.12Å
88	D	85.7	Confident	74.5	Confident	81 Å²	81	81.4 Å²	81.4	43%	0.433	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-75.3	136.5	175.7	-70.5	-43	0	0	0	111.2	N90 I436 K441	D88-N90 PolarHBondContact O-N 3.2Å; D88-N90 PolarHBondContact O-ND2 2.84Å; D88-I436 HydrophobicContact CB-CD1 4.46Å; D88-I436 HydrophobicContact CB-CG2 4.4Å; D88-K441 IonicContact OD1-NZ 3.4Å; D88-K441 PolarHBondContact OD1-NZ 3.29Å; D88-K441 VanDerWaalsContact OD1-NZ 3.17Å
89	V	89	Confident	76.5	Confident	10 Å²	10	75.6 Å²	75.6	6%	0.061	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-62	128.7	-177	173.1	0	0	0	0	109.9	F94 Y159 F161 N438	V89-F94 HydrophobicContact CG1-CE2 3.6Å; V89-F94 HydrophobicContact CG1-CZ 4Å; V89-Y159 HydrophobicContact CB-CD1 4.17Å; V89-Y159 HydrophobicContact CG1-CD1 3.83Å; V89-Y159 HydrophobicContact CG1-CE1 4.33Å; V89-Y159 HydrophobicContact CG1-CG 4.16Å; V89-Y159 HydrophobicContact CG2-CD1 4.15Å; V89-Y159 HydrophobicContact CG2-CE1 4.23Å; V89-F161 HydrophobicContact CG1-CD1 4.37Å; V89-F161 HydrophobicContact CG1-CE1 4.34Å; V89-F161 WeakPolarHBondContact O-CB 3.47Å; V89-N438 WeakPolarHBondContact CG2-ND2 3.47Å
90	N	90.3	Very high	78	Confident	59 Å²	59	66.7 Å²	66.7	32%	0.316	33%	0.33	S	S	.	.			trans	-141.2	178.5	-176.2	65.5	51.4	0	0	0	111.4	D88 D92 H93	D88-N90 PolarHBondContact O-N 3.2Å; D88-N90 PolarHBondContact O-ND2 2.84Å; N90-D92 VanDerWaalsContact C-N 3.29Å; N90-D92 PolarHBondContact O-N 3.11Å; N90-D92 PolarHBondContact OD1-N 3.12Å; N90-H93 VanDerWaalsContact CG-ND1 3.3Å; N90-H93 PolarHBondContact N-ND1 2.95Å; N90-H93 PolarHBondContact ND2-CE1 2.94Å; N90-H93 VanDerWaalsContact O-CB 3.29Å; N90-H93 WeakPolarHBondContact O-CB 3.25Å; N90-H93 PolarHBondContact O-N 3.31Å; N90-H93 VanDerWaalsContact O-N 3.09Å; N90-H93 PolarHBondContact O-ND1 3.11Å; N90-H93 PolarHBondContact OD1-ND1 3.13Å
91	F	89.2	Confident	79.2	Confident	34 Å²	34	58.9 Å²	58.9	15%	0.149	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-54.1	-38	-175.8	-172.7	-93.9	0	0	0	114.7	H93 F94 I96 M122 F161 F168 L396	F91-H93 PolarHBondContact O-N 2.97Å; F91-F94 PolarHBondContact O-N 3.39Å; F91-F94 VanDerWaalsContact O-N 3.09Å; F91-I96 HydrophobicContact CE2-CD1 3.81Å; F91-I96 HydrophobicContact CZ-CD1 3.55Å; F91-I96 HydrophobicContact CZ-CG1 4.31Å; F91-M122 HydrophobicContact CD2-SD 4.38Å; F91-M122 HydrophobicContact CE2-SD 4.31Å; F91-F161 HydrophobicContact CB-CE2 3.84Å; F91-F161 HydrophobicContact CD2-CE2 4.42Å; F91-F168 HydrophobicContact CD2-CD1 4.1Å; F91-F168 AromaticContact CD2-CE1 3.48Å; F91-F168 HydrophobicContact CD2-CE1 3.48Å; F91-F168 VanDerWaalsContact CD2-CE1 3.48Å; F91-F168 HydrophobicContact CD2-CE2 4.35Å; F91-F168 AromaticContact CD2-CZ 3.63Å; F91-F168 HydrophobicContact CD2-CZ 3.63Å; F91-F168 HydrophobicContact CE2-CD1 4.47Å; F91-F168 AromaticContact CE2-CE1 3.67Å; F91-F168 HydrophobicContact CE2-CE1 3.67Å; F91-F168 HydrophobicContact CE2-CZ 4.05Å; F91-F168 HydrophobicContact CG-CZ 4.46Å; F91-L396 HydrophobicContact CE2-CD2 4.22Å; F91-L396 HydrophobicContact CZ-CB 4.27Å; F91-L396 HydrophobicContact CZ-CD2 3.97Å
92	D	89.4	Confident	80.4	Confident	77 Å²	77	61.6 Å²	61.6	41%	0.412	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-68	-17.7	-176.5	-78	-30.8	0	0	0	112.3	N90 F94 R114 K400	N90-D92 VanDerWaalsContact C-N 3.29Å; N90-D92 PolarHBondContact O-N 3.11Å; N90-D92 PolarHBondContact OD1-N 3.12Å; D92-F94 PolarHBondContact O-N 2.87Å; D92-R114 WeakPolarHBondContact O-CD 3.29Å; D92-R114 VanDerWaalsContact O-CZ 3.32Å; D92-R114 PolarHBondContact O-NE 3.02Å; D92-R114 VanDerWaalsContact O-NE 3.13Å; D92-K400 IonicContact OD2-NZ 3.7Å; D92-K400 PolarHBondContact OD2-NZ 3.04Å; D92-K400 VanDerWaalsContact OD2-NZ 3.15Å
93	H	90.6	Very high	81.2	Confident	7 Å²	7	56.7 Å²	56.7	3%	0.032	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-71.4	-15.4	173.6	-65.9	73.1	0	0	0	113.7	F83 N90 F91 R114	F83-H93 AromaticContact CD1-CD2 3.3Å; F83-H93 WeakPolarHBondContact CD1-CD2 3.34Å; F83-H93 AromaticContact CD1-CE1 3.88Å; F83-H93 AromaticContact CD1-CG 3.96Å; F83-H93 AromaticContact CD1-NE2 3.26Å; F83-H93 VanDerWaalsContact CD1-NE2 3.26Å; F83-H93 WeakPolarHBondContact CD1-NE2 3.47Å; F83-H93 AromaticContact CD2-CD2 3.98Å; F83-H93 HydrophobicContact CE1-CB 4.47Å; F83-H93 AromaticContact CE1-CD2 3.7Å; F83-H93 AromaticContact CE1-CG 3.9Å; F83-H93 AromaticContact CE1-NE2 3.96Å; F83-H93 AromaticContact CG-CD2 3.45Å; F83-H93 VanDerWaalsContact CG-CD2 3.45Å; F83-H93 WeakPolarHBondContact CG-CD2 3.48Å; F83-H93 AromaticContact CG-NE2 3.62Å; F83-H93 HydrophobicContact CZ-CB 4.45Å; N90-H93 VanDerWaalsContact CG-ND1 3.3Å; N90-H93 PolarHBondContact N-ND1 2.95Å; N90-H93 PolarHBondContact ND2-CE1 2.94Å; N90-H93 VanDerWaalsContact O-CB 3.29Å; N90-H93 WeakPolarHBondContact O-CB 3.25Å; N90-H93 PolarHBondContact O-N 3.31Å; N90-H93 VanDerWaalsContact O-N 3.09Å; N90-H93 PolarHBondContact O-ND1 3.11Å; N90-H93 PolarHBondContact OD1-ND1 3.13Å; F91-H93 PolarHBondContact O-N 2.97Å; H93-R114 WeakPolarHBondContact O-CB 3.43Å; H93-R114 VanDerWaalsContact O-CG 3.26Å; H93-R114 WeakPolarHBondContact O-CG 3.39Å; H93-R114 PolarHBondContact O-N 3.26Å
94	F	92.4	Very high	81.6	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.009	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	156.5	-177.1	-63.9	-88.4	0	0	0	112.1	V89 F91 D92 V111 Q112 K113 R114 Y120 M122 Y159 F161 V170	V89-F94 HydrophobicContact CG1-CE2 3.6Å; V89-F94 HydrophobicContact CG1-CZ 4Å; F91-F94 PolarHBondContact O-N 3.39Å; F91-F94 VanDerWaalsContact O-N 3.09Å; D92-F94 PolarHBondContact O-N 2.87Å; F94-V111 HydrophobicContact CB-CB 4.38Å; F94-V111 HydrophobicContact CD1-CB 4.28Å; F94-V111 HydrophobicContact CD1-CG2 3.77Å; F94-V111 HydrophobicContact CE1-CG2 4.37Å; F94-V111 HydrophobicContact CG-CG2 4.49Å; F94-Q112 CarbonylContact C-O 3.56Å; F94-Q112 WeakPolarHBondContact CA-O 3.16Å; F94-K113 HydrophobicContact CD1-CB 4.14Å; F94-K113 HydrophobicContact CD1-CG 4.27Å; F94-K113 HydrophobicContact CE1-CB 3.9Å; F94-K113 HydrophobicContact CE1-CG 3.81Å; F94-K113 HydrophobicContact CZ-CG 4.16Å; F94-R114 PolarHBondContact O-NE 3.43Å; F94-R114 PolarHBondContact O-NH2 3.17Å; F94-R114 VanDerWaalsContact O-NH2 3.11Å; F94-Y120 HydrophobicContact CE1-CD2 4.28Å; F94-M122 HydrophobicContact CB-CE 3.93Å; F94-M122 HydrophobicContact CD1-CE 4.25Å; F94-M122 HydrophobicContact CD2-CE 3.82Å; F94-M122 HydrophobicContact CE2-CE 4.43Å; F94-M122 HydrophobicContact CG-CE 3.72Å; F94-Y159 HydrophobicContact CE1-CD2 4.41Å; F94-Y159 HydrophobicContact CE1-CE2 4.32Å; F94-Y159 AromaticContact CZ-CD2 3.78Å; F94-Y159 HydrophobicContact CZ-CD2 3.78Å; F94-Y159 AromaticContact CZ-CE2 3.95Å; F94-Y159 HydrophobicContact CZ-CE2 3.95Å; F94-Y159 HydrophobicContact CZ-CG 4.27Å; F94-F161 HydrophobicContact CD2-CE1 4.1Å; F94-F161 AromaticContact CD2-CZ 3.92Å; F94-F161 HydrophobicContact CD2-CZ 3.92Å; F94-F161 AromaticContact CE2-CE1 3.56Å; F94-F161 HydrophobicContact CE2-CE1 3.56Å; F94-F161 AromaticContact CE2-CZ 3.87Å; F94-F161 HydrophobicContact CE2-CZ 3.87Å; F94-F161 HydrophobicContact CZ-CE1 4.39Å; F94-V170 HydrophobicContact CE1-CG1 3.97Å; F94-V170 HydrophobicContact CE1-CG2 4.47Å; F94-V170 HydrophobicContact CE2-CG2 4.43Å; F94-V170 HydrophobicContact CZ-CG1 4.19Å; F94-V170 HydrophobicContact CZ-CG2 4.17Å
95	Q	90.6	Very high	82.3	Confident	80 Å²	80	54.9 Å²	54.9	37%	0.374	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.2	166	179.4	174.3	0	0	0	108.2	L97 V111 Q112 R114	Q95-L97 HydrophobicContact CG-CD2 4.04Å; Q95-V111 CarbonylContact O-C 3.59Å; Q95-V111 VanDerWaalsContact O-CA 3.26Å; Q95-V111 WeakPolarHBondContact O-CA 3.39Å; Q95-Q112 PolarHBondContact N-O 3.07Å; Q95-Q112 PolarHBondContact O-N 3.1Å; Q95-R114 HydrophobicContact CB-CG 4.49Å
96	I	89.4	Confident	83.2	Confident	29 Å²	29	50 Å²	50	15%	0.149	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.6	170.1	-60.9	-179.4	0	0	0	109.3	F91 C109 V111 L396 H397	F91-I96 HydrophobicContact CE2-CD1 3.81Å; F91-I96 HydrophobicContact CZ-CD1 3.55Å; F91-I96 HydrophobicContact CZ-CG1 4.31Å; I96-C109 HydrophobicContact CG2-CB 4.1Å; I96-V111 HydrophobicContact CG1-CG1 4.1Å; I96-L396 HydrophobicContact CD1-CB 4.15Å; I96-L396 HydrophobicContact CD1-CD1 4.15Å; I96-L396 HydrophobicContact CD1-CD2 3.87Å; I96-L396 HydrophobicContact CD1-CG 4.28Å; I96-H397 PolarHBondContact N-CE1 2.97Å
97	L	85	Confident	84.1	Confident	29 Å²	29	43.6 Å²	43.6	15%	0.152	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-42	-174.7	-66.1	174.6	0	0	0	114.4	W64 Q95 I110 Q112 M119	W64-L97 HydrophobicContact CH2-CB 4.06Å; W64-L97 HydrophobicContact CH2-CD1 4.15Å; W64-L97 HydrophobicContact CH2-CD2 4.21Å; W64-L97 HydrophobicContact CH2-CG 4.38Å; W64-L97 HydrophobicContact CZ2-CB 4.42Å; Q95-L97 HydrophobicContact CG-CD2 4.04Å; L97-I110 HydrophobicContact CB-CB 4.49Å; L97-I110 HydrophobicContact CB-CG2 4.24Å; L97-I110 HydrophobicContact CD1-CG2 4.14Å; L97-I110 PolarHBondContact N-O 3.43Å; L97-Q112 HydrophobicContact CD1-CB 3.85Å; L97-M119 HydrophobicContact CD1-CE 3.62Å; L97-M119 HydrophobicContact CD1-SD 3.67Å
98	R	81.4	Confident	84.7	Confident	26 Å²	26	40 Å²	40	10%	0.098	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	141.6	-177.6	-161.5	-162.6	-160.2	143.1	-3.4	110.9	C109 I110 L378 E385	R98-C109 CarbonylContact O-C 3.54Å; R98-C109 VanDerWaalsContact O-CA 3.25Å; R98-C109 WeakPolarHBondContact O-CA 3.24Å; R98-I110 PolarHBondContact O-N 3.09Å; R98-L378 VanDerWaalsContact NH1-CD1 3.28Å; R98-E385 VanDerWaalsContact CZ-CD 3.47Å; R98-E385 IonicContact CZ-OE1 2.62Å; R98-E385 IonicContact CZ-OE2 3.59Å; R98-E385 VanDerWaalsContact NE-CD 3.3Å; R98-E385 IonicContact NE-OE1 3.85Å; R98-E385 PolarHBondContact NE-OE1 3.41Å; R98-E385 IonicContact NE-OE2 3.44Å; R98-E385 PolarHBondContact NE-OE2 2.73Å; R98-E385 IonicContact NH2-OE1 2.78Å; R98-E385 PolarHBondContact NH2-OE1 3.34Å; R98-E385 IonicContact NH2-OE2 3.75Å; R98-E385 PolarHBondContact NH2-OE2 3.24Å
99	A	83.8	Confident	84.9	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	140.6	163.5	0	0	0	0	0	111.1	K107 E388	A99-K107 HydrophobicContact CB-CD 4.39Å; A99-E388 VanDerWaalsContact CB-OE2 3.32Å; A99-E388 WeakPolarHBondContact CB-OE2 3.26Å; A99-E388 PolarHBondContact N-OE2 3.01Å
100	I	81.8	Confident	85	Confident	33 Å²	33	36 Å²	36	17%	0.169	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	-15.3	177.6	51.8	167.8	0	0	0	113.7	V108 I110 A121 L173 L378	I100-V108 HydrophobicContact CD1-CG1 4.07Å; I100-V108 HydrophobicContact CG1-CB 4.33Å; I100-V108 HydrophobicContact CG1-CG1 4.02Å; I100-V108 WeakPolarHBondContact CG1-O 3.38Å; I100-V108 PolarHBondContact N-O 2.99Å; I100-I110 HydrophobicContact CD1-CG1 3.94Å; I100-I110 HydrophobicContact CG1-CG1 4.31Å; I100-I110 HydrophobicContact CG2-CD1 3.65Å; I100-I110 HydrophobicContact CG2-CG1 3.64Å; I100-A121 HydrophobicContact CD1-CB 4.44Å; I100-L173 HydrophobicContact CD1-CD1 4.22Å; I100-L378 HydrophobicContact CG2-CD1 3.87Å
101	G	79.5	Confident	85.1	Confident	14 Å²	14	33.1 Å²	33.1	14%	0.144	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	166	176.9	0	0	0	0	0	112.4	K107 V108	G101-K107 WeakPolarHBondContact O-CA 3.26Å; G101-K107 WeakPolarHBondContact O-CB 3.43Å; G101-V108 PolarHBondContact N-O 3.36Å; G101-V108 PolarHBondContact O-N 3.37Å
102	K	78.9	Confident	85.4	Confident	115 Å²	115	33.8 Å²	33.8	50%	0.5	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.3	178	-172	173.6	-176.1	166.1	0	108.1	F384 E387	K102-F384 HydrophobicContact CB-CD1 3.72Å; K102-F384 HydrophobicContact CB-CE1 3.33Å; K102-F384 HydrophobicContact CB-CZ 4.07Å; K102-F384 HydrophobicContact CD-CD1 4.39Å; K102-F384 HydrophobicContact CD-CE1 4.11Å; K102-F384 HydrophobicContact CG-CE1 4.41Å; K102-E387 IonicContact NZ-OE1 3.65Å; K102-E387 PolarHBondContact NZ-OE1 3.44Å; K102-E387 IonicContact NZ-OE2 2.73Å; K102-E387 PolarHBondContact NZ-OE2 3.13Å
103	G	72.4	Confident	85.6	Confident	37 Å²	37	30.5 Å²	30.5	38%	0.381	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	172.8	175.9	0	0	0	0	0	111.2	F105 G106	G103-F105 PolarHBondContact O-N 3.09Å; G103-F105 VanDerWaalsContact O-N 3.16Å; G103-G106 PolarHBondContact N-O 3.04Å; G103-G106 VanDerWaalsContact O-O 3.13Å
104	S	72.9	Confident	85.7	Confident	83 Å²	83	34.3 Å²	34.3	58%	0.58	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-30.8	178.5	-55.7	0	0	0	0	113.8	R133	S104-R133 PolarHBondContact O-NH1 3.19Å
105	F	77.9	Confident	85.6	Confident	18 Å²	18	36.5 Å²	36.5	8%	0.079	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	12.8	-171.2	-36.9	-72.6	0	0	0	113.6	G103 M125 N126 R133 E135	G103-F105 PolarHBondContact O-N 3.09Å; G103-F105 VanDerWaalsContact O-N 3.16Å; F105-M125 HydrophobicContact CB-CB 4.46Å; F105-N126 PolarHBondContact O-N 3.15Å; F105-R133 HydrophobicContact CE1-CB 4.38Å; F105-E135 HydrophobicContact CE1-CB 3.86Å; F105-E135 HydrophobicContact CE1-CG 3.69Å; F105-E135 HydrophobicContact CE2-CB 4.26Å; F105-E135 HydrophobicContact CE2-CG 4.46Å; F105-E135 HydrophobicContact CZ-CB 3.62Å; F105-E135 HydrophobicContact CZ-CG 3.45Å; F105-E135 VanDerWaalsContact CZ-CG 3.45Å
106	G	82.8	Confident	85.6	Confident	21 Å²	21	35.8 Å²	35.8	22%	0.216	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.9	-151.2	-174.3	0	0	0	0	0	113.8	G103 Y124	G103-G106 PolarHBondContact N-O 3.04Å; G103-G106 VanDerWaalsContact O-O 3.13Å; G106-Y124 WeakPolarHBondContact CA-O 3.48Å
107	K	85.5	Confident	85.7	Confident	44 Å²	44	40 Å²	40	19%	0.191	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	163.6	178.1	-50.7	-177.4	-164.8	170	0	111.6	A99 G101 Y124 E392	A99-K107 HydrophobicContact CB-CD 4.39Å; G101-K107 WeakPolarHBondContact O-CA 3.26Å; G101-K107 WeakPolarHBondContact O-CB 3.43Å; K107-Y124 HydrophobicContact CB-CE1 3.62Å; K107-Y124 VanDerWaalsContact CD-OH 3.28Å; K107-Y124 WeakPolarHBondContact CD-OH 3.26Å; K107-Y124 HydrophobicContact CG-CE1 4.35Å; K107-Y124 VanDerWaalsContact CG-OH 3.31Å; K107-Y124 WeakPolarHBondContact CG-OH 3.4Å; K107-Y124 PolarHBondContact N-O 3Å; K107-Y124 VanDerWaalsContact O-CD1 3.29Å; K107-Y124 WeakPolarHBondContact O-CD1 3.44Å; K107-Y124 PolarHBondContact O-N 2.9Å; K107-Y124 VanDerWaalsContact O-N 3.08Å; K107-E392 IonicContact NZ-OE1 3.54Å; K107-E392 PolarHBondContact NZ-OE1 3.16Å
108	V	89.9	Confident	86.1	Confident	39 Å²	39	42.3 Å²	42.3	24%	0.236	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.1	167.5	-172.8	0	0	0	0	108.1	I100 G101 A121 M122 K123	I100-V108 HydrophobicContact CD1-CG1 4.07Å; I100-V108 HydrophobicContact CG1-CB 4.33Å; I100-V108 HydrophobicContact CG1-CG1 4.02Å; I100-V108 WeakPolarHBondContact CG1-O 3.38Å; I100-V108 PolarHBondContact N-O 2.99Å; G101-V108 PolarHBondContact N-O 3.36Å; G101-V108 PolarHBondContact O-N 3.37Å; V108-A121 HydrophobicContact CG1-CB 4.23Å; V108-M122 WeakPolarHBondContact CA-O 3.35Å; V108-K123 HydrophobicContact CG2-CB 4.24Å; V108-K123 HydrophobicContact CG2-CG 4.41Å
109	C	90.6	Very high	86.8	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.034	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.8	-178.8	-68.3	0	0	0	0	111.7	I96 R98 M122	I96-C109 HydrophobicContact CG2-CB 4.1Å; R98-C109 CarbonylContact O-C 3.54Å; R98-C109 VanDerWaalsContact O-CA 3.25Å; R98-C109 WeakPolarHBondContact O-CA 3.24Å; C109-M122 PolarHBondContact N-O 3.34Å; C109-M122 PolarHBondContact O-N 2.95Å
110	I	90.6	Very high	87.4	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.4	162	-63.4	177.8	0	0	0	108.1	L97 R98 I100 M119 L173 L175 L378	L97-I110 HydrophobicContact CB-CB 4.49Å; L97-I110 HydrophobicContact CB-CG2 4.24Å; L97-I110 HydrophobicContact CD1-CG2 4.14Å; L97-I110 PolarHBondContact N-O 3.43Å; R98-I110 PolarHBondContact O-N 3.09Å; I100-I110 HydrophobicContact CD1-CG1 3.94Å; I100-I110 HydrophobicContact CG1-CG1 4.31Å; I100-I110 HydrophobicContact CG2-CD1 3.65Å; I100-I110 HydrophobicContact CG2-CG1 3.64Å; I110-M119 HydrophobicContact CG2-CE 3.33Å; I110-L173 HydrophobicContact CD1-CD1 4.4Å; I110-L173 HydrophobicContact CG1-CD1 3.88Å; I110-L173 HydrophobicContact CG1-CD2 4.37Å; I110-L173 HydrophobicContact CG2-CD2 3.91Å; I110-L175 HydrophobicContact CD1-CD2 4.37Å; I110-L378 HydrophobicContact CD1-CD1 3.85Å; I110-L378 HydrophobicContact CD1-CD2 4.17Å
111	V	93.3	Very high	88	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.2	175.1	-56.7	0	0	0	0	111.3	F94 Q95 I96 M119 Y120 M122 V170	F94-V111 HydrophobicContact CB-CB 4.38Å; F94-V111 HydrophobicContact CD1-CB 4.28Å; F94-V111 HydrophobicContact CD1-CG2 3.77Å; F94-V111 HydrophobicContact CE1-CG2 4.37Å; F94-V111 HydrophobicContact CG-CG2 4.49Å; Q95-V111 CarbonylContact O-C 3.59Å; Q95-V111 VanDerWaalsContact O-CA 3.26Å; Q95-V111 WeakPolarHBondContact O-CA 3.39Å; I96-V111 HydrophobicContact CG1-CG1 4.1Å; V111-M119 WeakPolarHBondContact O-CA 3.46Å; V111-Y120 PolarHBondContact N-O 2.96Å; V111-Y120 PolarHBondContact O-N 2.81Å; V111-M122 HydrophobicContact CB-CB 4.39Å; V111-M122 HydrophobicContact CB-CE 4.49Å; V111-M122 HydrophobicContact CG1-CB 3.52Å; V111-M122 HydrophobicContact CG1-CE 4.02Å; V111-M122 HydrophobicContact CG1-CG 4.36Å; V111-M122 HydrophobicContact CG1-SD 3.99Å; V111-M122 HydrophobicContact CG2-CB 3.93Å; V111-M122 HydrophobicContact CG2-CE 4.23Å; V111-V170 HydrophobicContact CG2-CG1 4.47Å
112	Q	94.1	Very high	88.7	Confident	47 Å²	47	41.9 Å²	41.9	22%	0.22	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.9	170.6	-169.5	173.2	31.3	0	0	109.6	F94 Q95 L97 E117 K118 M119	F94-Q112 CarbonylContact C-O 3.56Å; F94-Q112 WeakPolarHBondContact CA-O 3.16Å; Q95-Q112 PolarHBondContact N-O 3.07Å; Q95-Q112 PolarHBondContact O-N 3.1Å; L97-Q112 HydrophobicContact CD1-CB 3.85Å; Q112-E117 WeakPolarHBondContact CG-O 3.01Å; Q112-E117 PolarHBondContact NE2-O 3.07Å; Q112-K118 WeakPolarHBondContact CA-O 3.42Å; Q112-M119 HydrophobicContact CB-SD 3.76Å; Q112-M119 HydrophobicContact CG-SD 3.89Å
113	K	94.8	Very high	89.4	Confident	8 Å²	8	38.3 Å²	38.3	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129.7	171.6	-156.1	-160.4	175.6	-153.1	0	108.5	F94 D115 T116 E117 K118 Y120 Y159 E440	F94-K113 HydrophobicContact CD1-CB 4.14Å; F94-K113 HydrophobicContact CD1-CG 4.27Å; F94-K113 HydrophobicContact CE1-CB 3.9Å; F94-K113 HydrophobicContact CE1-CG 3.81Å; F94-K113 HydrophobicContact CZ-CG 4.16Å; K113-D115 WeakPolarHBondContact CD-OD1 3.42Å; K113-D115 WeakPolarHBondContact CE-OD1 3.41Å; K113-D115 WeakPolarHBondContact CE-OD2 3.41Å; K113-D115 WeakPolarHBondContact CG-OD1 3.48Å; K113-D115 IonicContact NZ-OD1 3.68Å; K113-D115 PolarHBondContact NZ-OD1 2.99Å; K113-D115 IonicContact NZ-OD2 2.68Å; K113-D115 PolarHBondContact NZ-OD2 3.13Å; K113-D115 PolarHBondContact O-N 3.26Å; K113-T116 HydrophobicContact CD-CG2 4.33Å; K113-E117 VanDerWaalsContact O-CA 3.24Å; K113-E117 WeakPolarHBondContact O-CA 3.48Å; K113-E117 PolarHBondContact O-N 3.01Å; K113-K118 PolarHBondContact N-O 2.81Å; K113-Y120 HydrophobicContact CB-CD2 4.44Å; K113-Y120 HydrophobicContact CB-CE2 4.02Å; K113-Y159 WeakPolarHBondContact CD-OH 3.13Å; K113-E440 IonicContact NZ-OE2 2.72Å; K113-E440 PolarHBondContact NZ-OE2 3.11Å
114	R	91.9	Very high	90.2	Very high	87 Å²	87	37.8 Å²	37.8	33%	0.328	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-22	-163.6	-71.6	174.2	-175.4	-146.3	15.7	115.7	P81 F83 D92 H93 F94 Q95 H397	P81-R114 HydrophobicContact CG-CB 3.98Å; F83-R114 HydrophobicContact CE2-CB 3.91Å; F83-R114 HydrophobicContact CZ-CB 4.28Å; D92-R114 WeakPolarHBondContact O-CD 3.29Å; D92-R114 VanDerWaalsContact O-CZ 3.32Å; D92-R114 PolarHBondContact O-NE 3.02Å; D92-R114 VanDerWaalsContact O-NE 3.13Å; H93-R114 WeakPolarHBondContact O-CB 3.43Å; H93-R114 VanDerWaalsContact O-CG 3.26Å; H93-R114 WeakPolarHBondContact O-CG 3.39Å; H93-R114 PolarHBondContact O-N 3.26Å; F94-R114 PolarHBondContact O-NE 3.43Å; F94-R114 PolarHBondContact O-NH2 3.17Å; F94-R114 VanDerWaalsContact O-NH2 3.11Å; Q95-R114 HydrophobicContact CB-CG 4.49Å; R114-H397 PolarHBondContact NH2-NE2 3.12Å
115	D	89.8	Confident	91.2	Very high	48 Å²	48	34 Å²	34	26%	0.257	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-46.2	179.7	58.4	-30.1	0	0	0	112.3	F83 K113	F83-D115 HydrophobicContact CD2-CB 4.15Å; K113-D115 WeakPolarHBondContact CD-OD1 3.42Å; K113-D115 WeakPolarHBondContact CE-OD1 3.41Å; K113-D115 WeakPolarHBondContact CE-OD2 3.41Å; K113-D115 WeakPolarHBondContact CG-OD1 3.48Å; K113-D115 IonicContact NZ-OD1 3.68Å; K113-D115 PolarHBondContact NZ-OD1 2.99Å; K113-D115 IonicContact NZ-OD2 2.68Å; K113-D115 PolarHBondContact NZ-OD2 3.13Å; K113-D115 PolarHBondContact O-N 3.26Å
116	T	91.5	Very high	91.9	Very high	65 Å²	65	34.5 Å²	34.5	40%	0.399	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-11.5	-177	63.6	0	0	0	0	114	K113 K118	K113-T116 HydrophobicContact CD-CG2 4.33Å; T116-K118 PolarHBondContact O-N 2.87Å; T116-K118 WeakPolarHBondContact OG1-CB 3.48Å; T116-K118 PolarHBondContact OG1-N 3.31Å
117	E	92.1	Very high	92.5	Very high	117 Å²	117	33.6 Å²	33.6	55%	0.547	16%	0.162	S	C	.	.			trans	57.7	9.4	-169.4	-64.7	179.2	-155.9	0	0	114.1	Q112 K113	Q112-E117 WeakPolarHBondContact CG-O 3.01Å; Q112-E117 PolarHBondContact NE2-O 3.07Å; K113-E117 VanDerWaalsContact O-CA 3.24Å; K113-E117 WeakPolarHBondContact O-CA 3.48Å; K113-E117 PolarHBondContact O-N 3.01Å
118	K	93.9	Very high	92.8	Very high	79 Å²	79	35.6 Å²	35.6	34%	0.343	17%	0.172	S	C	.	.			trans	-71.8	141.4	179.8	-175.2	170.1	163	-172.4	0	111	Q112 K113 T116 Y120 W158	Q112-K118 WeakPolarHBondContact CA-O 3.42Å; K113-K118 PolarHBondContact N-O 2.81Å; T116-K118 PolarHBondContact O-N 2.87Å; T116-K118 WeakPolarHBondContact OG1-CB 3.48Å; T116-K118 PolarHBondContact OG1-N 3.31Å; K118-Y120 HydrophobicContact CB-CE2 3.84Å; K118-Y120 HydrophobicContact CD-CE1 4.31Å; K118-Y120 HydrophobicContact CD-CE2 4.12Å; K118-Y120 WeakPolarHBondContact CD-OH 3.49Å; K118-Y120 WeakPolarHBondContact CE-OH 3.47Å; K118-Y120 HydrophobicContact CG-CD2 4.41Å; K118-Y120 HydrophobicContact CG-CE1 4.48Å; K118-Y120 HydrophobicContact CG-CE2 3.7Å; K118-Y120 WeakPolarHBondContact O-CD2 3.28Å; K118-W158 VanDerWaalsContact NZ-CH2 3.26Å
119	M	94.1	Very high	92.9	Very high	56 Å²	56	37.1 Å²	37.1	28%	0.276	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.7	-174.5	-63.3	-77.4	-71.6	0	0	110.7	W61 L97 I110 V111 Q112 L173	W61-M119 HydrophobicContact CH2-CE 4.46Å; L97-M119 HydrophobicContact CD1-CE 3.62Å; L97-M119 HydrophobicContact CD1-SD 3.67Å; I110-M119 HydrophobicContact CG2-CE 3.33Å; V111-M119 WeakPolarHBondContact O-CA 3.46Å; Q112-M119 HydrophobicContact CB-SD 3.76Å; Q112-M119 HydrophobicContact CG-SD 3.89Å; M119-L173 HydrophobicContact CB-CD2 3.78Å; M119-L173 HydrophobicContact CE-CD2 4.22Å
120	Y	96.3	Very high	93.1	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	164.7	-177.7	-61.8	-89.5	0	0	0	111	F94 V111 K113 K118 W158 Y159 V170 V171	F94-Y120 HydrophobicContact CE1-CD2 4.28Å; V111-Y120 PolarHBondContact N-O 2.96Å; V111-Y120 PolarHBondContact O-N 2.81Å; K113-Y120 HydrophobicContact CB-CD2 4.44Å; K113-Y120 HydrophobicContact CB-CE2 4.02Å; K118-Y120 HydrophobicContact CB-CE2 3.84Å; K118-Y120 HydrophobicContact CD-CE1 4.31Å; K118-Y120 HydrophobicContact CD-CE2 4.12Å; K118-Y120 WeakPolarHBondContact CD-OH 3.49Å; K118-Y120 WeakPolarHBondContact CE-OH 3.47Å; K118-Y120 HydrophobicContact CG-CD2 4.41Å; K118-Y120 HydrophobicContact CG-CE1 4.48Å; K118-Y120 HydrophobicContact CG-CE2 3.7Å; K118-Y120 WeakPolarHBondContact O-CD2 3.28Å; Y120-W158 HydrophobicContact CD1-CB 4.35Å; Y120-W158 HydrophobicContact CD1-CG 4.14Å; Y120-W158 HydrophobicContact CE1-CB 3.85Å; Y120-W158 AromaticContact CE1-CD1 3.7Å; Y120-W158 AromaticContact CE1-CD2 3.83Å; Y120-W158 HydrophobicContact CE1-CD2 3.83Å; Y120-W158 HydrophobicContact CE1-CE3 4.47Å; Y120-W158 AromaticContact CE1-CG 3.49Å; Y120-W158 HydrophobicContact CE1-CG 3.49Å; Y120-W158 VanDerWaalsContact CE1-CG 3.49Å; Y120-Y159 HydrophobicContact CE1-CE2 4.01Å; Y120-Y159 HydrophobicContact CE2-CE2 4.09Å; Y120-Y159 AromaticContact CZ-CE2 3.7Å; Y120-Y159 PolarHBondContact OH-OH 3.13Å; Y120-Y159 VanDerWaalsContact OH-OH 3.07Å; Y120-V170 VanDerWaalsContact CB-CG1 3.47Å; Y120-V170 HydrophobicContact CD1-CG1 3.99Å; Y120-V170 HydrophobicContact CD2-CG1 4.34Å; Y120-V170 HydrophobicContact CG-CG1 3.7Å; Y120-V171 WeakPolarHBondContact CB-O 3.4Å
121	A	95.4	Very high	93.2	Very high	7 Å²	7	38 Å²	38	6%	0.058	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.5	162.8	0	0	0	0	0	109	I100 V108 V170 V171 L173	I100-A121 HydrophobicContact CD1-CB 4.44Å; V108-A121 HydrophobicContact CG1-CB 4.23Å; A121-V170 CarbonylContact O-C 3.35Å; A121-V170 WeakPolarHBondContact O-CA 3.5Å; A121-V171 HydrophobicContact CB-CG2 3.94Å; A121-V171 PolarHBondContact N-O 2.67Å; A121-V171 PolarHBondContact O-N 2.82Å; A121-L173 HydrophobicContact CB-CD1 4.16Å
122	M	95.2	Very high	93.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.5	176.2	-179.4	-177.1	-75.3	0	0	109.5	F91 F94 V108 C109 V111 F161 F168 M169 V170	F91-M122 HydrophobicContact CD2-SD 4.38Å; F91-M122 HydrophobicContact CE2-SD 4.31Å; F94-M122 HydrophobicContact CB-CE 3.93Å; F94-M122 HydrophobicContact CD1-CE 4.25Å; F94-M122 HydrophobicContact CD2-CE 3.82Å; F94-M122 HydrophobicContact CE2-CE 4.43Å; F94-M122 HydrophobicContact CG-CE 3.72Å; V108-M122 WeakPolarHBondContact CA-O 3.35Å; C109-M122 PolarHBondContact N-O 3.34Å; C109-M122 PolarHBondContact O-N 2.95Å; V111-M122 HydrophobicContact CB-CB 4.39Å; V111-M122 HydrophobicContact CB-CE 4.49Å; V111-M122 HydrophobicContact CG1-CB 3.52Å; V111-M122 HydrophobicContact CG1-CE 4.02Å; V111-M122 HydrophobicContact CG1-CG 4.36Å; V111-M122 HydrophobicContact CG1-SD 3.99Å; V111-M122 HydrophobicContact CG2-CB 3.93Å; V111-M122 HydrophobicContact CG2-CE 4.23Å; M122-F161 HydrophobicContact CE-CZ 3.72Å; M122-F168 HydrophobicContact CG-CD1 4.19Å; M122-F168 HydrophobicContact SD-CD1 3.72Å; M122-F168 HydrophobicContact SD-CE1 4.3Å; M122-M169 CarbonylContact C-O 3.55Å; M122-M169 VanDerWaalsContact CA-O 3.32Å; M122-M169 WeakPolarHBondContact CA-O 3.34Å; M122-V170 HydrophobicContact CB-CG2 4.32Å; M122-V170 HydrophobicContact CE-CG2 3.62Å; M122-V170 HydrophobicContact CG-CG2 4.07Å
123	K	93.1	Very high	93	Very high	40 Å²	40	48 Å²	48	17%	0.174	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	119.1	167.4	176.4	-175.9	178.3	-169.1	0	106.8	V108 M125 E142 M169 N237	V108-K123 HydrophobicContact CG2-CB 4.24Å; V108-K123 HydrophobicContact CG2-CG 4.41Å; K123-M125 HydrophobicContact CD-SD 4.21Å; K123-M125 HydrophobicContact CG-CG 4.19Å; K123-M125 HydrophobicContact CG-SD 4.29Å; K123-E142 IonicContact NZ-OE1 3.89Å; K123-E142 PolarHBondContact NZ-OE1 2.8Å; K123-E142 IonicContact NZ-OE2 3.67Å; K123-E142 PolarHBondContact NZ-OE2 3.44Å; K123-M169 HydrophobicContact CB-CB 4.31Å; K123-M169 HydrophobicContact CD-SD 3.82Å; K123-M169 PolarHBondContact N-O 3.2Å; K123-M169 PolarHBondContact O-N 3.13Å; K123-N237 PolarHBondContact NZ-OD1 3.47Å
124	Y	89.7	Confident	92.9	Very high	27 Å²	27	52.8 Å²	52.8	11%	0.106	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.4	171.5	68.4	-92.6	0	0	0	110.2	G106 K107 M167 F168	G106-Y124 WeakPolarHBondContact CA-O 3.48Å; K107-Y124 HydrophobicContact CB-CE1 3.62Å; K107-Y124 VanDerWaalsContact CD-OH 3.28Å; K107-Y124 WeakPolarHBondContact CD-OH 3.26Å; K107-Y124 HydrophobicContact CG-CE1 4.35Å; K107-Y124 VanDerWaalsContact CG-OH 3.31Å; K107-Y124 WeakPolarHBondContact CG-OH 3.4Å; K107-Y124 PolarHBondContact N-O 3Å; K107-Y124 VanDerWaalsContact O-CD1 3.29Å; K107-Y124 WeakPolarHBondContact O-CD1 3.44Å; K107-Y124 PolarHBondContact O-N 2.9Å; K107-Y124 VanDerWaalsContact O-N 3.08Å; Y124-M167 CarbonylContact C-O 3.51Å; Y124-M167 WeakPolarHBondContact CA-O 3.4Å; Y124-F168 HydrophobicContact CG-CE1 4.42Å
125	M	92.9	Very high	92.9	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.02	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.9	-170.1	-62.5	160.8	-71.4	0	0	108.8	F105 K123 K127 V139 D166 M167 M169	F105-M125 HydrophobicContact CB-CB 4.46Å; K123-M125 HydrophobicContact CD-SD 4.21Å; K123-M125 HydrophobicContact CG-CG 4.19Å; K123-M125 HydrophobicContact CG-SD 4.29Å; M125-K127 PolarHBondContact O-N 2.81Å; M125-V139 HydrophobicContact CE-CG1 3.82Å; M125-V139 HydrophobicContact SD-CB 4.49Å; M125-V139 HydrophobicContact SD-CG1 3.71Å; M125-V139 HydrophobicContact SD-CG2 3.93Å; M125-D166 CarbonylContact O-C 3.57Å; M125-D166 WeakPolarHBondContact O-CA 3.43Å; M125-M167 HydrophobicContact CE-CB 4.22Å; M125-M167 PolarHBondContact N-O 2.89Å; M125-M167 PolarHBondContact O-N 2.73Å; M125-M169 HydrophobicContact CE-CE 3.76Å; M125-M169 HydrophobicContact CE-CG 3.84Å; M125-M169 HydrophobicContact CE-SD 3.59Å; M125-M169 VanDerWaalsContact CE-SD 3.59Å; M125-M169 HydrophobicContact SD-CE 4.27Å; M125-M169 HydrophobicContact SD-SD 4.19Å
126	N	93.7	Very high	93	Very high	28 Å²	28	50.6 Å²	50.6	15%	0.15	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.8	-175.1	-176	-103.7	0	0	0	111.3	F105 Q128 Q129 C130 E165 D166	F105-N126 PolarHBondContact O-N 3.15Å; N126-Q128 VanDerWaalsContact C-N 3.34Å; N126-Q128 PolarHBondContact O-N 3.07Å; N126-Q129 HydrophobicContact CB-CB 4.2Å; N126-Q129 HydrophobicContact CB-CG 4.2Å; N126-Q129 PolarHBondContact O-N 2.9Å; N126-Q129 VanDerWaalsContact O-N 3.14Å; N126-Q129 PolarHBondContact OD1-N 2.66Å; N126-C130 PolarHBondContact O-N 3.12Å; N126-C130 PolarHBondContact O-SG 2.78Å; N126-E165 PolarHBondContact ND2-O 2.9Å; N126-D166 VanDerWaalsContact CA-OD1 3.27Å; N126-D166 WeakPolarHBondContact CA-OD1 3.46Å; N126-D166 WeakPolarHBondContact CB-OD1 3.33Å; N126-D166 PolarHBondContact ND2-OD1 3.21Å
127	K	93.5	Very high	93	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-56.5	-46.5	-173.7	-68.9	177.2	169.5	-178.1	0	112	M125 Q129 C130 I131 D163 E165 M167 L427 I430	M125-K127 PolarHBondContact O-N 2.81Å; K127-Q129 PolarHBondContact O-N 3.32Å; K127-C130 WeakPolarHBondContact O-CB 3.47Å; K127-C130 PolarHBondContact O-N 2.62Å; K127-I131 WeakPolarHBondContact O-CG1 3.25Å; K127-I131 PolarHBondContact O-N 3.26Å; K127-D163 VanDerWaalsContact CE-O 3.32Å; K127-D163 WeakPolarHBondContact CE-O 3.48Å; K127-D163 PolarHBondContact NZ-O 3.17Å; K127-E165 WeakPolarHBondContact CB-O 3.23Å; K127-E165 WeakPolarHBondContact CG-O 3.4Å; K127-E165 PolarHBondContact N-O 2.8Å; K127-M167 HydrophobicContact CG-CE 4.39Å; K127-M167 HydrophobicContact CG-CG 3.95Å; K127-L427 HydrophobicContact CB-CD2 3.49Å; K127-L427 VanDerWaalsContact CB-CD2 3.49Å; K127-L427 HydrophobicContact CD-CD2 4.12Å; K127-L427 HydrophobicContact CG-CD2 4.45Å; K127-I430 HydrophobicContact CB-CD1 4.29Å; K127-I430 HydrophobicContact CD-CG2 4.06Å; K127-I430 HydrophobicContact CG-CG2 4.23Å
128	Q	92.4	Very high	93	Very high	85 Å²	85	52.4 Å²	52.4	40%	0.397	24%	0.239	S	C	.	.	H	α-helix	trans	-60.3	-46.7	178	177.4	174.7	-6.3	0	0	111.6	N126 C130 I131 E132 L423	N126-Q128 VanDerWaalsContact C-N 3.34Å; N126-Q128 PolarHBondContact O-N 3.07Å; Q128-C130 VanDerWaalsContact C-N 3.28Å; Q128-C130 PolarHBondContact O-N 3.21Å; Q128-I131 PolarHBondContact O-N 3.09Å; Q128-I131 VanDerWaalsContact O-N 3.16Å; Q128-E132 HydrophobicContact CG-CG 4.27Å; Q128-E132 VanDerWaalsContact CG-OE1 3.29Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.46Å; Q128-E132 PolarHBondContact NE2-OE1 3.24Å; Q128-E132 WeakPolarHBondContact O-CB 2.92Å; Q128-E132 WeakPolarHBondContact O-CG 2.98Å; Q128-E132 PolarHBondContact O-N 3.19Å; Q128-L423 HydrophobicContact CG-CD1 4.21Å; Q128-L423 HydrophobicContact CG-CD2 4.26Å
129	Q	92.9	Very high	93	Very high	71 Å²	71	48.7 Å²	48.7	33%	0.332	22%	0.223	S	C	.	.	H	α-helix	trans	-64.9	-29.4	177.2	-68.5	178	34.5	0	0	113.6	N126 K127 R133	N126-Q129 HydrophobicContact CB-CB 4.2Å; N126-Q129 HydrophobicContact CB-CG 4.2Å; N126-Q129 PolarHBondContact O-N 2.9Å; N126-Q129 VanDerWaalsContact O-N 3.14Å; N126-Q129 PolarHBondContact OD1-N 2.66Å; K127-Q129 PolarHBondContact O-N 3.32Å; Q129-R133 WeakPolarHBondContact O-CG 3.48Å
130	C	93.1	Very high	93	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-71.3	-38.7	172.6	-68	0	0	0	0	111.8	N126 K127 Q128 D134 E135 V136 M167	N126-C130 PolarHBondContact O-N 3.12Å; N126-C130 PolarHBondContact O-SG 2.78Å; K127-C130 WeakPolarHBondContact O-CB 3.47Å; K127-C130 PolarHBondContact O-N 2.62Å; Q128-C130 VanDerWaalsContact C-N 3.28Å; Q128-C130 PolarHBondContact O-N 3.21Å; C130-D134 PolarHBondContact O-N 2.84Å; C130-E135 PolarHBondContact O-N 3.27Å; C130-V136 HydrophobicContact CB-CG2 3.89Å; C130-M167 HydrophobicContact CB-CE 4.25Å
131	I	93	Very high	92.9	Very high	26 Å²	26	52.4 Å²	52.4	13%	0.133	24%	0.235	C	C	.	.	H	α-helix	trans	-66.8	-50.1	175.8	-65.7	161.2	0	0	0	110.5	K127 Q128 R133 D134 V136 L423 C426 L427 I430	K127-I131 WeakPolarHBondContact O-CG1 3.25Å; K127-I131 PolarHBondContact O-N 3.26Å; Q128-I131 PolarHBondContact O-N 3.09Å; Q128-I131 VanDerWaalsContact O-N 3.16Å; I131-R133 PolarHBondContact O-N 3.07Å; I131-D134 PolarHBondContact O-N 3.09Å; I131-D134 VanDerWaalsContact O-N 3.1Å; I131-V136 HydrophobicContact CG1-CG2 3.82Å; I131-L423 HydrophobicContact CB-CD1 4.39Å; I131-L423 HydrophobicContact CD1-CD1 3.9Å; I131-L423 HydrophobicContact CG2-CD1 4.11Å; I131-C426 HydrophobicContact CD1-CB 3.72Å; I131-C426 HydrophobicContact CG1-CB 4.13Å; I131-C426 HydrophobicContact CG2-CB 4.08Å; I131-L427 HydrophobicContact CD1-CD2 3.72Å; I131-L427 HydrophobicContact CD1-CG 3.9Å; I131-I430 HydrophobicContact CD1-CD1 3.8Å; I131-I430 HydrophobicContact CG1-CD1 3.8Å
132	E	92.3	Very high	92.8	Very high	124 Å²	124	52.5 Å²	52.5	58%	0.579	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-15.6	-179.3	-74	173.8	179.9	0	0	114.1	Q128	Q128-E132 HydrophobicContact CG-CG 4.27Å; Q128-E132 VanDerWaalsContact CG-OE1 3.29Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.46Å; Q128-E132 PolarHBondContact NE2-OE1 3.24Å; Q128-E132 WeakPolarHBondContact O-CB 2.92Å; Q128-E132 WeakPolarHBondContact O-CG 2.98Å; Q128-E132 PolarHBondContact O-N 3.19Å
133	R	91.2	Very high	92.8	Very high	134 Å²	134	52.8 Å²	52.8	51%	0.506	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	2.3	-178.4	-63.4	179.7	-177.4	175.9	11.7	114.5	S104 F105 Q129 I131 E135	S104-R133 PolarHBondContact O-NH1 3.19Å; F105-R133 HydrophobicContact CE1-CB 4.38Å; Q129-R133 WeakPolarHBondContact O-CG 3.48Å; I131-R133 PolarHBondContact O-N 3.07Å; R133-E135 VanDerWaalsContact C-N 3.28Å; R133-E135 HydrophobicContact CB-CB 4.47Å; R133-E135 HydrophobicContact CB-CG 3.91Å; R133-E135 PolarHBondContact O-N 3.3Å
134	D	91.9	Very high	92.9	Very high	108 Å²	108	56.4 Å²	56.4	58%	0.578	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	34.2	-173.5	-163.9	29.7	0	0	0	114.2	C130 I131 R137	C130-D134 PolarHBondContact O-N 2.84Å; I131-D134 PolarHBondContact O-N 3.09Å; I131-D134 VanDerWaalsContact O-N 3.1Å; D134-R137 IonicContact OD1-NH1 2.78Å
135	E	92.4	Very high	93.3	Very high	61 Å²	61	55.2 Å²	55.2	29%	0.285	25%	0.249	S	C	.	.			trans	-102.5	-6.7	-172.9	-73.5	-78.9	-175	0	0	113.5	F105 C130 R133 R137 N138 V139	F105-E135 HydrophobicContact CE1-CB 3.86Å; F105-E135 HydrophobicContact CE1-CG 3.69Å; F105-E135 HydrophobicContact CE2-CB 4.26Å; F105-E135 HydrophobicContact CE2-CG 4.46Å; F105-E135 HydrophobicContact CZ-CB 3.62Å; F105-E135 HydrophobicContact CZ-CG 3.45Å; F105-E135 VanDerWaalsContact CZ-CG 3.45Å; C130-E135 PolarHBondContact O-N 3.27Å; R133-E135 VanDerWaalsContact C-N 3.28Å; R133-E135 HydrophobicContact CB-CB 4.47Å; R133-E135 HydrophobicContact CB-CG 3.91Å; R133-E135 PolarHBondContact O-N 3.3Å; E135-R137 VanDerWaalsContact C-N 3.26Å; E135-R137 PolarHBondContact O-N 2.98Å; E135-N138 PolarHBondContact O-N 3.38Å; E135-N138 WeakPolarHBondContact OE2-CB 3.25Å; E135-N138 PolarHBondContact OE2-ND2 3.01Å; E135-V139 PolarHBondContact O-N 2.85Å; E135-V139 VanDerWaalsContact O-N 3.09Å
136	V	92.6	Very high	93.5	Very high	28 Å²	28	55.4 Å²	55.4	17%	0.17	25%	0.25	C	S	.	.	H	α-helix	trans	-51.4	-45.7	177.7	-177.9	0	0	0	0	111.3	C130 I131 N138 V139 F140 I430	C130-V136 HydrophobicContact CB-CG2 3.89Å; I131-V136 HydrophobicContact CG1-CG2 3.82Å; V136-N138 VanDerWaalsContact C-N 3.27Å; V136-N138 PolarHBondContact O-N 2.92Å; V136-V139 PolarHBondContact O-N 3.4Å; V136-F140 HydrophobicContact CG1-CD2 3.83Å; V136-F140 HydrophobicContact CG1-CE2 3.73Å; V136-F140 VanDerWaalsContact O-CD2 3.27Å; V136-F140 WeakPolarHBondContact O-CD2 3.27Å; V136-F140 PolarHBondContact O-N 3.32Å; V136-I430 HydrophobicContact CG1-CD1 3.89Å; V136-I430 HydrophobicContact CG1-CG1 3.73Å; V136-I430 HydrophobicContact CG2-CD1 3.83Å
137	R	92.1	Very high	93.6	Very high	173 Å²	173	55.4 Å²	55.4	65%	0.653	25%	0.249	S	C	*	.	H	α-helix	trans	-62.5	-31.7	179.4	-69	176.9	175.4	144.3	-3.7	113.4	D134 E135 R141	D134-R137 IonicContact OD1-NH1 2.78Å; E135-R137 VanDerWaalsContact C-N 3.26Å; E135-R137 PolarHBondContact O-N 2.98Å; R137-R141 WeakPolarHBondContact O-CB 3.33Å; R137-R141 PolarHBondContact O-N 3.29Å; R137-R141 VanDerWaalsContact O-N 3.12Å
138	N	91.6	Very high	93.7	Very high	46 Å²	46	62.4 Å²	62.4	25%	0.246	28%	0.282	C	S	.	.	H	α-helix	trans	-77.6	-39.6	178.5	-64.7	-27.4	0	0	0	110.6	E135 V136 F140 R141 E142	E135-N138 PolarHBondContact O-N 3.38Å; E135-N138 WeakPolarHBondContact OE2-CB 3.25Å; E135-N138 PolarHBondContact OE2-ND2 3.01Å; V136-N138 VanDerWaalsContact C-N 3.27Å; V136-N138 PolarHBondContact O-N 2.92Å; N138-F140 PolarHBondContact O-N 3.44Å; N138-R141 PolarHBondContact O-N 3.21Å; N138-R141 PolarHBondContact OD1-NH1 3.32Å; N138-E142 WeakPolarHBondContact O-CB 3.45Å; N138-E142 PolarHBondContact O-N 3.01Å
139	V	92.8	Very high	94	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-43.4	172.6	176.1	0	0	0	0	111.7	M125 E135 V136 E142 L143 M167 M169	M125-V139 HydrophobicContact CE-CG1 3.82Å; M125-V139 HydrophobicContact SD-CB 4.49Å; M125-V139 HydrophobicContact SD-CG1 3.71Å; M125-V139 HydrophobicContact SD-CG2 3.93Å; E135-V139 PolarHBondContact O-N 2.85Å; E135-V139 VanDerWaalsContact O-N 3.09Å; V136-V139 PolarHBondContact O-N 3.4Å; V139-E142 PolarHBondContact O-N 2.91Å; V139-L143 WeakPolarHBondContact O-CG 3.4Å; V139-L143 PolarHBondContact O-N 3Å; V139-M167 HydrophobicContact CG1-CE 3.99Å; V139-M167 HydrophobicContact CG1-SD 4.25Å; V139-M169 HydrophobicContact CG1-CE 4.05Å
140	F	94.4	Very high	94.2	Very high	47 Å²	47	58.5 Å²	58.5	21%	0.206	26%	0.264	C	S	.	.	H	α-helix	trans	-66.8	-39.5	177.6	-86.3	-117.6	0	0	0	112.2	V136 N138 L143 E144 M167 I430 D433 F434	V136-F140 HydrophobicContact CG1-CD2 3.83Å; V136-F140 HydrophobicContact CG1-CE2 3.73Å; V136-F140 VanDerWaalsContact O-CD2 3.27Å; V136-F140 WeakPolarHBondContact O-CD2 3.27Å; V136-F140 PolarHBondContact O-N 3.32Å; N138-F140 PolarHBondContact O-N 3.44Å; F140-L143 WeakPolarHBondContact O-CB 3.48Å; F140-L143 PolarHBondContact O-N 2.92Å; F140-E144 WeakPolarHBondContact O-CB 3.31Å; F140-E144 PolarHBondContact O-N 3Å; F140-M167 HydrophobicContact CE2-SD 3.84Å; F140-I430 HydrophobicContact CE2-CG1 4.5Å; F140-I430 HydrophobicContact CE2-CG2 4.23Å; F140-I430 HydrophobicContact CZ-CG2 4.21Å; F140-D433 HydrophobicContact CE1-CB 3.76Å; F140-D433 HydrophobicContact CZ-CB 4.33Å; F140-F434 HydrophobicContact CE1-CB 4.25Å; F140-F434 HydrophobicContact CE2-CD2 4.34Å; F140-F434 HydrophobicContact CZ-CB 3.87Å; F140-F434 HydrophobicContact CZ-CD2 4.18Å
141	R	93.8	Very high	94.4	Very high	89 Å²	89	60.2 Å²	60.2	34%	0.336	27%	0.272	S	S	.	.	H	α-helix	trans	-65.5	-39	173.5	-168.9	-172.2	-56.2	111.8	7.9	112.4	R137 N138 L143 E144 I145	R137-R141 WeakPolarHBondContact O-CB 3.33Å; R137-R141 PolarHBondContact O-N 3.29Å; R137-R141 VanDerWaalsContact O-N 3.12Å; N138-R141 PolarHBondContact O-N 3.21Å; N138-R141 PolarHBondContact OD1-NH1 3.32Å; R141-L143 VanDerWaalsContact C-N 3.34Å; R141-E144 PolarHBondContact O-N 3.34Å; R141-I145 HydrophobicContact CG-CD1 4.15Å; R141-I145 WeakPolarHBondContact O-CB 3.45Å; R141-I145 WeakPolarHBondContact O-CG1 3.37Å; R141-I145 PolarHBondContact O-N 2.82Å
142	E	95.1	Very high	94.7	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-62.6	-42.4	174.4	-170	-168.9	-156.6	0	0	110.5	K123 N138 V139 L146 M169 F236 N237	K123-E142 IonicContact NZ-OE1 3.89Å; K123-E142 PolarHBondContact NZ-OE1 2.8Å; K123-E142 IonicContact NZ-OE2 3.67Å; K123-E142 PolarHBondContact NZ-OE2 3.44Å; N138-E142 WeakPolarHBondContact O-CB 3.45Å; N138-E142 PolarHBondContact O-N 3.01Å; V139-E142 PolarHBondContact O-N 2.91Å; E142-L146 HydrophobicContact CG-CD1 3.83Å; E142-L146 HydrophobicContact CG-CG 4.37Å; E142-L146 VanDerWaalsContact O-CB 3.22Å; E142-L146 WeakPolarHBondContact O-CB 3.49Å; E142-L146 WeakPolarHBondContact O-CG 3.25Å; E142-L146 PolarHBondContact O-N 3.31Å; E142-M169 HydrophobicContact CB-CE 4.19Å; E142-M169 HydrophobicContact CG-CE 4.19Å; E142-M169 WeakPolarHBondContact OE2-CE 3.36Å; E142-F236 HydrophobicContact CG-CB 4.02Å; E142-N237 PolarHBondContact OE1-OD1 3.04Å; E142-N237 PolarHBondContact OE2-OD1 3.48Å; E142-N237 VanDerWaalsContact OE2-OD1 3.11Å
143	L	95.1	Very high	95	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-52.2	173.1	-76	172.6	0	0	0	112.3	V139 F140 R141 I145 L146 Q147 L157 M169 F434	V139-L143 WeakPolarHBondContact O-CG 3.4Å; V139-L143 PolarHBondContact O-N 3Å; F140-L143 WeakPolarHBondContact O-CB 3.48Å; F140-L143 PolarHBondContact O-N 2.92Å; R141-L143 VanDerWaalsContact C-N 3.34Å; L143-I145 VanDerWaalsContact C-N 3.3Å; L143-I145 PolarHBondContact O-N 2.85Å; L143-L146 PolarHBondContact O-N 2.9Å; L143-L146 VanDerWaalsContact O-N 3.12Å; L143-Q147 WeakPolarHBondContact O-CB 3.16Å; L143-Q147 WeakPolarHBondContact O-CG 3.43Å; L143-Q147 PolarHBondContact O-N 3.23Å; L143-L157 HydrophobicContact CD2-CD2 4.3Å; L143-M169 HydrophobicContact CB-CE 4.49Å; L143-M169 HydrophobicContact CD1-CE 4.4Å; L143-M169 HydrophobicContact CD2-CE 3.49Å; L143-M169 VanDerWaalsContact CD2-CE 3.49Å; L143-M169 HydrophobicContact CD2-CG 3.6Å; L143-M169 HydrophobicContact CD2-SD 4.37Å; L143-M169 HydrophobicContact CG-CE 3.46Å; L143-M169 VanDerWaalsContact CG-CE 3.46Å; L143-F434 HydrophobicContact CD1-CD2 4.01Å; L143-F434 HydrophobicContact CD1-CE2 3.44Å; L143-F434 VanDerWaalsContact CD1-CE2 3.44Å; L143-F434 HydrophobicContact CD1-CZ 3.87Å
144	E	95.4	Very high	95.3	Very high	116 Å²	116	49.6 Å²	49.6	54%	0.542	23%	0.231	S	C	.	.	H	α-helix	trans	-53.5	-48.1	180	-177.2	179.3	-151	0	0	111.1	F140 R141	F140-E144 WeakPolarHBondContact O-CB 3.31Å; F140-E144 PolarHBondContact O-N 3Å; R141-E144 PolarHBondContact O-N 3.34Å
145	I	96.9	Very high	95.6	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.015	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-47.6	175.6	-72.1	171.7	0	0	0	111.6	R141 L143 Q147 E148 I149 I213 F236 A239 I241	R141-I145 HydrophobicContact CG-CD1 4.15Å; R141-I145 WeakPolarHBondContact O-CB 3.45Å; R141-I145 WeakPolarHBondContact O-CG1 3.37Å; R141-I145 PolarHBondContact O-N 2.82Å; L143-I145 VanDerWaalsContact C-N 3.3Å; L143-I145 PolarHBondContact O-N 2.85Å; I145-Q147 VanDerWaalsContact C-N 3.3Å; I145-Q147 PolarHBondContact O-N 3.16Å; I145-E148 PolarHBondContact O-N 2.77Å; I145-I149 HydrophobicContact CG2-CD1 3.99Å; I145-I149 WeakPolarHBondContact O-CG1 3.4Å; I145-I149 PolarHBondContact O-N 3.18Å; I145-I213 HydrophobicContact CG2-CD1 3.84Å; I145-I213 HydrophobicContact CG2-CG1 4.49Å; I145-F236 HydrophobicContact CG2-CB 4.38Å; I145-F236 HydrophobicContact CG2-CD1 3.73Å; I145-F236 HydrophobicContact CG2-CE1 4.36Å; I145-F236 HydrophobicContact CG2-CG 4.26Å; I145-A239 HydrophobicContact CD1-CB 3.79Å; I145-I241 HydrophobicContact CD1-CG1 4.38Å; I145-I241 HydrophobicContact CG1-CD1 4.22Å; I145-I241 HydrophobicContact CG1-CG1 4.19Å
146	L	97.3	Very high	95.9	Very high	8 Å²	8	42.5 Å²	42.5	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-70.4	-20.8	-176.3	-76.7	176.4	0	0	0	114.4	E142 L143 I149 L157 F236 R439	E142-L146 HydrophobicContact CG-CD1 3.83Å; E142-L146 HydrophobicContact CG-CG 4.37Å; E142-L146 VanDerWaalsContact O-CB 3.22Å; E142-L146 WeakPolarHBondContact O-CB 3.49Å; E142-L146 WeakPolarHBondContact O-CG 3.25Å; E142-L146 PolarHBondContact O-N 3.31Å; L143-L146 PolarHBondContact O-N 2.9Å; L143-L146 VanDerWaalsContact O-N 3.12Å; L146-I149 HydrophobicContact CD2-CD1 4.23Å; L146-L157 HydrophobicContact CB-CB 3.84Å; L146-L157 HydrophobicContact CB-CD2 3.86Å; L146-L157 HydrophobicContact CB-CG 4.42Å; L146-F236 HydrophobicContact CD2-CD2 3.76Å; L146-F236 HydrophobicContact CD2-CE2 4.22Å; L146-F236 HydrophobicContact CD2-CG 4.3Å; L146-R439 PolarHBondContact O-NH2 3.32Å
147	Q	96.3	Very high	96.1	Very high	28 Å²	28	41.2 Å²	41.2	13%	0.131	19%	0.187	C	C	.	.	H	α-helix	trans	-73.3	-45	175.9	-74.5	173.5	8	0	0	111.2	L143 I145 L157 F437 R439	L143-Q147 WeakPolarHBondContact O-CB 3.16Å; L143-Q147 WeakPolarHBondContact O-CG 3.43Å; L143-Q147 PolarHBondContact O-N 3.23Å; I145-Q147 VanDerWaalsContact C-N 3.3Å; I145-Q147 PolarHBondContact O-N 3.16Å; Q147-L157 HydrophobicContact CG-CD2 3.84Å; Q147-F437 HydrophobicContact CB-CD2 4.02Å; Q147-F437 HydrophobicContact CB-CE2 3.98Å; Q147-F437 HydrophobicContact CB-CG 4.49Å; Q147-F437 HydrophobicContact CB-CZ 4.41Å; Q147-F437 HydrophobicContact CG-CB 3.98Å; Q147-F437 HydrophobicContact CG-CD1 4.2Å; Q147-F437 HydrophobicContact CG-CD2 3.64Å; Q147-F437 HydrophobicContact CG-CE2 4.08Å; Q147-F437 HydrophobicContact CG-CG 3.7Å; Q147-R439 PolarHBondContact O-NH2 3.14Å
148	E	95.6	Very high	96.4	Very high	149 Å²	149	34.6 Å²	34.6	70%	0.696	16%	0.163	S	C	*	.	H	α-helix	trans	-78	-27.7	-176.3	-62.1	-56.2	126.9	0	0	113.6	I145	I145-E148 PolarHBondContact O-N 2.77Å
149	I	97.5	Very high	96.7	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	15%	0.151	C	C	.	.			trans	-88.9	145.3	-177.5	71.3	-173.5	0	0	0	114.2	I145 L146 L154 Y207 L208 Q211 I213 F236 R439	I145-I149 HydrophobicContact CG2-CD1 3.99Å; I145-I149 WeakPolarHBondContact O-CG1 3.4Å; I145-I149 PolarHBondContact O-N 3.18Å; L146-I149 HydrophobicContact CD2-CD1 4.23Å; I149-L154 HydrophobicContact CD1-CD1 3.97Å; I149-L154 HydrophobicContact CG1-CD1 4.39Å; I149-Y207 WeakPolarHBondContact CA-OH 3.45Å; I149-Y207 HydrophobicContact CB-CE1 4.03Å; I149-Y207 HydrophobicContact CG2-CE1 4.32Å; I149-L208 HydrophobicContact CD1-CD2 4.15Å; I149-L208 HydrophobicContact CG2-CD2 4.41Å; I149-Q211 HydrophobicContact CG2-CB 4.39Å; I149-Q211 HydrophobicContact CG2-CG 4.28Å; I149-I213 HydrophobicContact CG2-CD1 3.53Å; I149-F236 HydrophobicContact CD1-CD1 4.23Å; I149-F236 HydrophobicContact CD1-CE1 3.69Å; I149-F236 HydrophobicContact CD1-CE2 4.09Å; I149-F236 HydrophobicContact CD1-CZ 3.61Å; I149-R439 PolarHBondContact O-NH2 3.47Å
150	E	97.6	Very high	96.9	Very high	71 Å²	71	32.4 Å²	32.4	33%	0.332	15%	0.151	S	C	.	.			trans	-152.2	122.3	167.6	-163.9	173.6	154.2	0	0	111.1	N156 Y207 R439 K443	E150-N156 WeakPolarHBondContact CA-OD1 3.42Å; E150-Y207 PolarHBondContact N-OH 3.42Å; E150-Y207 PolarHBondContact O-OH 3.48Å; E150-R439 WeakPolarHBondContact OE2-CD 3.35Å; E150-R439 IonicContact OE2-CZ 3.86Å; E150-R439 IonicContact OE2-NE 2.75Å; E150-R439 IonicContact OE2-NH1 3.78Å; E150-R439 PolarHBondContact OE2-NH1 2.89Å; E150-K443 VanDerWaalsContact OE1-CE 3.27Å; E150-K443 WeakPolarHBondContact OE1-CE 3.31Å; E150-K443 IonicContact OE1-NZ 2.9Å; E150-K443 PolarHBondContact OE1-NZ 3.12Å; E150-K443 VanDerWaalsContact OE2-CE 3.25Å; E150-K443 WeakPolarHBondContact OE2-CE 3.43Å; E150-K443 IonicContact OE2-NZ 3.17Å
151	H	98.3	Very high	97	Very high	37 Å²	37	30.3 Å²	30.3	17%	0.171	14%	0.141	C	C	.	.			trans	-157	150.7	178.3	-177.4	-106.6	0	0	0	112.8	F153 L154 N156 Y207	H151-F153 AromaticContact CE1-CD2 3.84Å; H151-F153 PolarHBondContact ND1-N 2.8Å; H151-F153 PolarHBondContact O-N 2.85Å; H151-L154 HydrophobicContact CB-CB 4.33Å; H151-L154 HydrophobicContact CB-CD1 3.85Å; H151-L154 HydrophobicContact CB-CG 3.86Å; H151-L154 PolarHBondContact O-N 2.74Å; H151-L154 VanDerWaalsContact O-N 3.08Å; H151-N156 PolarHBondContact N-OD1 3.41Å; H151-N156 PolarHBondContact O-ND2 3Å; H151-N156 PolarHBondContact O-OD1 3Å; H151-Y207 HydrophobicContact CB-CD1 3.54Å; H151-Y207 HydrophobicContact CB-CE1 3.72Å; H151-Y207 HydrophobicContact CB-CG 4.01Å; H151-Y207 AromaticContact CD2-CG 3.87Å; H151-Y207 AromaticContact CG-CD1 3.89Å; H151-Y207 AromaticContact CG-CG 3.97Å
152	V	97.8	Very high	97	Very high	59 Å²	59	27.5 Å²	27.5	36%	0.358	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.1	-170.7	77.8	0	0	0	0	114.4	H232 K365	V152-H232 PolarHBondContact O-CD2 3.07Å; V152-H232 PolarHBondContact O-NE2 2.83Å; V152-K365 HydrophobicContact CG2-CD 3.94Å; V152-K365 HydrophobicContact CG2-CG 4.22Å; V152-K365 VanDerWaalsContact O-CE 3.28Å; V152-K365 WeakPolarHBondContact O-CE 3.27Å; V152-K365 PolarHBondContact O-NZ 2.75Å; V152-K365 VanDerWaalsContact O-NZ 3.16Å
153	F	98.6	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	20.2	176.6	-61.8	-61.1	0	0	0	113	H151 E200 M201 L203 A204 H230 A231 H232 L233 L362 K365	H151-F153 AromaticContact CE1-CD2 3.84Å; H151-F153 PolarHBondContact ND1-N 2.8Å; H151-F153 PolarHBondContact O-N 2.85Å; F153-E200 HydrophobicContact CD1-CB 3.85Å; F153-E200 HydrophobicContact CD1-CG 4.01Å; F153-E200 HydrophobicContact CD2-CB 4.31Å; F153-E200 HydrophobicContact CE1-CB 3.91Å; F153-E200 HydrophobicContact CE1-CG 3.53Å; F153-E200 WeakPolarHBondContact CE1-OE1 3.27Å; F153-E200 HydrophobicContact CE2-CB 4.38Å; F153-E200 HydrophobicContact CE2-CG 4.28Å; F153-E200 HydrophobicContact CG-CB 4.06Å; F153-E200 HydrophobicContact CZ-CB 4.19Å; F153-E200 HydrophobicContact CZ-CG 3.69Å; F153-M201 HydrophobicContact CB-CE 4.36Å; F153-L203 HydrophobicContact CD2-CB 4.12Å; F153-L203 HydrophobicContact CD2-CD1 4.23Å; F153-L203 HydrophobicContact CE2-CB 4.45Å; F153-L203 HydrophobicContact CE2-CD1 3.71Å; F153-A204 HydrophobicContact CB-CB 4.12Å; F153-H230 HydrophobicContact CE1-CB 4.24Å; F153-A231 WeakPolarHBondContact CD1-O 3.44Å; F153-H232 VanDerWaalsContact O-CA 3.3Å; F153-H232 WeakPolarHBondContact O-CA 3.37Å; F153-L233 PolarHBondContact O-N 3.02Å; F153-L362 VanDerWaalsContact CZ-O 3.24Å; F153-L362 WeakPolarHBondContact CZ-O 3.44Å; F153-K365 HydrophobicContact CE1-CD 4.22Å; F153-K365 VanDerWaalsContact CE1-CE 3.43Å; F153-K365 HydrophobicContact CE1-CG 3.76Å; F153-K365 HydrophobicContact CZ-CG 3.79Å
154	L	98.6	Very high	96.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-113.6	157	168.3	-62.8	-175.8	0	0	0	110.1	I149 H151 N156 A204 Y207 L208 L233 F236	I149-L154 HydrophobicContact CD1-CD1 3.97Å; I149-L154 HydrophobicContact CG1-CD1 4.39Å; H151-L154 HydrophobicContact CB-CB 4.33Å; H151-L154 HydrophobicContact CB-CD1 3.85Å; H151-L154 HydrophobicContact CB-CG 3.86Å; H151-L154 PolarHBondContact O-N 2.74Å; H151-L154 VanDerWaalsContact O-N 3.08Å; L154-N156 PolarHBondContact O-N 3.06Å; L154-N156 PolarHBondContact O-ND2 3.43Å; L154-A204 HydrophobicContact CD2-CB 3.99Å; L154-Y207 HydrophobicContact CD1-CD1 3.94Å; L154-Y207 HydrophobicContact CD1-CE1 3.9Å; L154-L208 HydrophobicContact CD1-CD2 3.89Å; L154-L208 HydrophobicContact CD1-CG 4.39Å; L154-L208 HydrophobicContact CD2-CD1 4.42Å; L154-L233 HydrophobicContact CD2-CB 3.77Å; L154-L233 HydrophobicContact CD2-CD2 4.17Å; L154-L233 HydrophobicContact CD2-CG 4.33Å; L154-F236 HydrophobicContact CD1-CZ 4.2Å; L154-F236 HydrophobicContact CD2-CZ 4.01Å
155	V	98.1	Very high	96.2	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.03	16%	0.155	C	C	.	.			trans	-82.1	106.5	165	171.2	0	0	0	0	108.6	V171 D172 L174 L224 H232 L233	V155-V171 HydrophobicContact CG1-CB 3.74Å; V155-V171 HydrophobicContact CG1-CG2 3.66Å; V155-D172 HydrophobicContact CG1-CB 4.38Å; V155-L174 HydrophobicContact CG2-CD1 3.5Å; V155-L174 VanDerWaalsContact CG2-CD1 3.5Å; V155-L174 HydrophobicContact CG2-CG 4.35Å; V155-L224 HydrophobicContact CG2-CD1 4.2Å; V155-H232 HydrophobicContact CG2-CB 4.13Å; V155-L233 PolarHBondContact N-O 3.04Å
156	N	98.1	Very high	96.1	Very high	16 Å²	16	32.5 Å²	32.5	9%	0.086	16%	0.157	C	C	.	.			trans	-87.7	139	-171	-52	-81.3	0	0	0	111.4	E150 H151 L154 V171 D172	E150-N156 WeakPolarHBondContact CA-OD1 3.42Å; H151-N156 PolarHBondContact N-OD1 3.41Å; H151-N156 PolarHBondContact O-ND2 3Å; H151-N156 PolarHBondContact O-OD1 3Å; L154-N156 PolarHBondContact O-N 3.06Å; L154-N156 PolarHBondContact O-ND2 3.43Å; N156-V171 CarbonylContact O-C 3.59Å; N156-V171 VanDerWaalsContact O-CA 3.23Å; N156-V171 WeakPolarHBondContact O-CA 3.29Å; N156-V171 WeakPolarHBondContact O-CB 3.32Å; N156-D172 VanDerWaalsContact CB-OD2 3.25Å; N156-D172 WeakPolarHBondContact CB-OD2 3.35Å; N156-D172 PolarHBondContact N-OD2 3.36Å; N156-D172 PolarHBondContact ND2-OD2 2.89Å; N156-D172 PolarHBondContact O-N 2.81Å
157	L	98.2	Very high	95.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127.8	171.2	177.2	74.9	0	0	0	110.2	L143 L146 Q147 Y159 M169 V171 F437 R439	L143-L157 HydrophobicContact CD2-CD2 4.3Å; L146-L157 HydrophobicContact CB-CB 3.84Å; L146-L157 HydrophobicContact CB-CD2 3.86Å; L146-L157 HydrophobicContact CB-CG 4.42Å; Q147-L157 HydrophobicContact CG-CD2 3.84Å; L157-Y159 WeakPolarHBondContact CD1-O 3.45Å; L157-M169 HydrophobicContact CD1-CB 3.96Å; L157-M169 HydrophobicContact CD1-CG 4.25Å; L157-V171 HydrophobicContact CB-CG1 4.46Å; L157-V171 HydrophobicContact CD1-CG1 4.02Å; L157-F437 HydrophobicContact CD2-CD1 3.82Å; L157-F437 HydrophobicContact CD2-CE1 4.24Å; L157-F437 HydrophobicContact CD2-CG 4.48Å; L157-F437 HydrophobicContact CG-CD1 4.05Å; L157-F437 HydrophobicContact CG-CE1 4.3Å; L157-R439 PolarHBondContact O-NE 3.27Å; L157-R439 PolarHBondContact O-NH2 3.14Å
158	W	97.7	Very high	95.9	Very high	35 Å²	35	30.9 Å²	30.9	13%	0.133	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-37.7	175.5	-73	82.4	0	0	0	112.9	K118 Y120 V170 D172 R439 E440	K118-W158 VanDerWaalsContact NZ-CH2 3.26Å; Y120-W158 HydrophobicContact CD1-CB 4.35Å; Y120-W158 HydrophobicContact CD1-CG 4.14Å; Y120-W158 HydrophobicContact CE1-CB 3.85Å; Y120-W158 AromaticContact CE1-CD1 3.7Å; Y120-W158 AromaticContact CE1-CD2 3.83Å; Y120-W158 HydrophobicContact CE1-CD2 3.83Å; Y120-W158 HydrophobicContact CE1-CE3 4.47Å; Y120-W158 AromaticContact CE1-CG 3.49Å; Y120-W158 HydrophobicContact CE1-CG 3.49Å; Y120-W158 VanDerWaalsContact CE1-CG 3.49Å; W158-V170 PolarHBondContact N-O 2.8Å; W158-D172 PolarHBondContact NE1-OD1 2.78Å; W158-R439 HydrophobicContact CE3-CB 4.28Å; W158-R439 PolarHBondContact O-N 2.98Å; W158-E440 HydrophobicContact CE3-CG 4.19Å; W158-E440 HydrophobicContact CZ3-CG 4.28Å
159	Y	97.4	Very high	95.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	143.8	-179.4	-39.7	-91.9	0	0	0	111.7	V89 F94 K113 Y120 L157 V170 F437 N438 E440	V89-Y159 HydrophobicContact CB-CD1 4.17Å; V89-Y159 HydrophobicContact CG1-CD1 3.83Å; V89-Y159 HydrophobicContact CG1-CE1 4.33Å; V89-Y159 HydrophobicContact CG1-CG 4.16Å; V89-Y159 HydrophobicContact CG2-CD1 4.15Å; V89-Y159 HydrophobicContact CG2-CE1 4.23Å; F94-Y159 HydrophobicContact CE1-CD2 4.41Å; F94-Y159 HydrophobicContact CE1-CE2 4.32Å; F94-Y159 AromaticContact CZ-CD2 3.78Å; F94-Y159 HydrophobicContact CZ-CD2 3.78Å; F94-Y159 AromaticContact CZ-CE2 3.95Å; F94-Y159 HydrophobicContact CZ-CE2 3.95Å; F94-Y159 HydrophobicContact CZ-CG 4.27Å; K113-Y159 WeakPolarHBondContact CD-OH 3.13Å; Y120-Y159 HydrophobicContact CE1-CE2 4.01Å; Y120-Y159 HydrophobicContact CE2-CE2 4.09Å; Y120-Y159 AromaticContact CZ-CE2 3.7Å; Y120-Y159 PolarHBondContact OH-OH 3.13Å; Y120-Y159 VanDerWaalsContact OH-OH 3.07Å; L157-Y159 WeakPolarHBondContact CD1-O 3.45Å; Y159-V170 HydrophobicContact CD2-CB 3.82Å; Y159-V170 HydrophobicContact CD2-CG1 3.71Å; Y159-V170 HydrophobicContact CE2-CG1 4.28Å; Y159-V170 HydrophobicContact CG-CB 4.5Å; Y159-V170 PolarHBondContact N-O 3.38Å; Y159-V170 PolarHBondContact O-N 3.03Å; Y159-F437 VanDerWaalsContact CA-O 3.25Å; Y159-F437 WeakPolarHBondContact CA-O 3.45Å; Y159-N438 HydrophobicContact CD1-CB 4.28Å; Y159-E440 HydrophobicContact CE1-CG 4.16Å; Y159-E440 WeakPolarHBondContact OH-CG 3.39Å; Y159-E440 PolarHBondContact OH-OE1 3.03Å; Y159-E440 VanDerWaalsContact OH-OE1 3.09Å; Y159-E440 PolarHBondContact OH-OE2 3.46Å
160	S	97.1	Very high	95.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.8	163.4	66.1	0	0	0	0	110.4	F168 V435 I436 F437	S160-F168 VanDerWaalsContact CA-O 3.31Å; S160-F168 WeakPolarHBondContact CA-O 3.31Å; S160-V435 PolarHBondContact OG-O 3.17Å; S160-I436 WeakPolarHBondContact O-CA 3.28Å; S160-I436 WeakPolarHBondContact O-CG2 3.29Å; S160-F437 PolarHBondContact N-O 3.41Å; S160-F437 PolarHBondContact O-N 3.46Å; S160-F437 VanDerWaalsContact O-N 3.09Å; S160-F437 WeakPolarHBondContact OG-CB 3.43Å; S160-F437 PolarHBondContact OG-N 3.06Å; S160-F437 VanDerWaalsContact OG-N 3.07Å
161	F	96.1	Very high	95.9	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.013	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	175.6	175.8	54.5	-96.5	0	0	0	109.8	V89 F91 F94 M122 F168 V170 F434	V89-F161 HydrophobicContact CG1-CD1 4.37Å; V89-F161 HydrophobicContact CG1-CE1 4.34Å; V89-F161 WeakPolarHBondContact O-CB 3.47Å; F91-F161 HydrophobicContact CB-CE2 3.84Å; F91-F161 HydrophobicContact CD2-CE2 4.42Å; F94-F161 HydrophobicContact CD2-CE1 4.1Å; F94-F161 AromaticContact CD2-CZ 3.92Å; F94-F161 HydrophobicContact CD2-CZ 3.92Å; F94-F161 AromaticContact CE2-CE1 3.56Å; F94-F161 HydrophobicContact CE2-CE1 3.56Å; F94-F161 AromaticContact CE2-CZ 3.87Å; F94-F161 HydrophobicContact CE2-CZ 3.87Å; F94-F161 HydrophobicContact CZ-CE1 4.39Å; M122-F161 HydrophobicContact CE-CZ 3.72Å; F161-F168 HydrophobicContact CD2-CB 3.77Å; F161-F168 AromaticContact CD2-CD2 3.51Å; F161-F168 HydrophobicContact CD2-CD2 3.51Å; F161-F168 HydrophobicContact CD2-CE2 4.36Å; F161-F168 AromaticContact CD2-CG 3.83Å; F161-F168 HydrophobicContact CD2-CG 3.83Å; F161-F168 HydrophobicContact CE1-CB 4.42Å; F161-F168 HydrophobicContact CE2-CB 3.51Å; F161-F168 HydrophobicContact CE2-CD1 4.12Å; F161-F168 AromaticContact CE2-CD2 3.48Å; F161-F168 HydrophobicContact CE2-CD2 3.48Å; F161-F168 VanDerWaalsContact CE2-CD2 3.48Å; F161-F168 HydrophobicContact CE2-CE2 4.21Å; F161-F168 AromaticContact CE2-CG 3.42Å; F161-F168 HydrophobicContact CE2-CG 3.42Å; F161-F168 VanDerWaalsContact CE2-CG 3.42Å; F161-F168 HydrophobicContact CG-CB 4.32Å; F161-F168 HydrophobicContact CZ-CB 3.89Å; F161-F168 HydrophobicContact CZ-CG 4.15Å; F161-F168 PolarHBondContact N-O 2.86Å; F161-F168 WeakPolarHBondContact O-CA 3.24Å; F161-F168 WeakPolarHBondContact O-CB 3.33Å; F161-F168 PolarHBondContact O-N 3Å; F161-V170 HydrophobicContact CE1-CG2 3.89Å; F161-V170 HydrophobicContact CZ-CG2 4.24Å; F161-F434 VanDerWaalsContact O-CZ 3.29Å; F161-F434 WeakPolarHBondContact O-CZ 3.28Å
162	Q	94.2	Very high	95.8	Very high	31 Å²	31	21.1 Å²	21.1	15%	0.145	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	155.4	-178.5	52.8	172	-14.9	0	0	111.5	D166 M167 Q431 F434	Q162-D166 WeakPolarHBondContact CA-O 3.25Å; Q162-M167 HydrophobicContact CB-CG 4.44Å; Q162-Q431 PolarHBondContact NE2-O 3.28Å; Q162-F434 HydrophobicContact CB-CD1 4.34Å; Q162-F434 HydrophobicContact CB-CE1 4.41Å; Q162-F434 HydrophobicContact CB-CG 4.45Å; Q162-F434 HydrophobicContact CG-CD1 3.91Å; Q162-F434 HydrophobicContact CG-CE1 4.35Å; Q162-F434 HydrophobicContact CG-CG 4.16Å
163	D	91.9	Very high	95.7	Very high	30 Å²	30	19.8 Å²	19.8	16%	0.16	10%	0.096	C	C	.	.			trans	-116.8	-170	164.3	82.1	11.7	0	0	0	110.5	K127 E165 D166 F168 K399	K127-D163 VanDerWaalsContact CE-O 3.32Å; K127-D163 WeakPolarHBondContact CE-O 3.48Å; K127-D163 PolarHBondContact NZ-O 3.17Å; D163-E165 VanDerWaalsContact C-N 3.28Å; D163-E165 PolarHBondContact O-N 3.04Å; D163-E165 PolarHBondContact OD1-N 3.08Å; D163-D166 PolarHBondContact N-O 2.91Å; D163-D166 PolarHBondContact OD1-N 3.19Å; D163-F168 HydrophobicContact CB-CE2 4.03Å; D163-K399 IonicContact OD1-NZ 3.96Å; D163-K399 PolarHBondContact OD1-NZ 3.05Å; D163-K399 VanDerWaalsContact OD1-NZ 3.11Å; D163-K399 IonicContact OD2-NZ 2.65Å; D163-K399 PolarHBondContact OD2-NZ 3.47Å
164	E	88.7	Confident	95.4	Very high	136 Å²	136	21.1 Å²	21.1	64%	0.636	10%	0.103	S	C	*	.	S	Bend	trans	-66.5	-23.8	-178.7	-57.6	95.6	152.2	0	0	114.4
165	E	89.4	Confident	94.9	Very high	61 Å²	61	22.5 Å²	22.5	29%	0.285	11%	0.111	S	C	.	.	S	Bend	trans	-112.9	-29.1	-178.1	-54.5	176.3	-155.5	0	0	113.4	N126 K127 D163 K399 L403	N126-E165 PolarHBondContact ND2-O 2.9Å; K127-E165 WeakPolarHBondContact CB-O 3.23Å; K127-E165 WeakPolarHBondContact CG-O 3.4Å; K127-E165 PolarHBondContact N-O 2.8Å; D163-E165 VanDerWaalsContact C-N 3.28Å; D163-E165 PolarHBondContact O-N 3.04Å; D163-E165 PolarHBondContact OD1-N 3.08Å; E165-K399 VanDerWaalsContact OE1-CE 3.28Å; E165-K399 WeakPolarHBondContact OE1-CE 3.45Å; E165-K399 WeakPolarHBondContact OE2-CE 3.49Å; E165-K399 IonicContact OE2-NZ 3.32Å; E165-L403 WeakPolarHBondContact OE1-CD2 3.32Å
166	D	93.1	Very high	94.5	Very high	11 Å²	11	22.4 Å²	22.4	6%	0.059	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.8	-166.4	-57.6	-53.3	0	0	0	113.2	M125 N126 Q162 D163 F168 K399	M125-D166 CarbonylContact O-C 3.57Å; M125-D166 WeakPolarHBondContact O-CA 3.43Å; N126-D166 VanDerWaalsContact CA-OD1 3.27Å; N126-D166 WeakPolarHBondContact CA-OD1 3.46Å; N126-D166 WeakPolarHBondContact CB-OD1 3.33Å; N126-D166 PolarHBondContact ND2-OD1 3.21Å; Q162-D166 WeakPolarHBondContact CA-O 3.25Å; D163-D166 PolarHBondContact N-O 2.91Å; D163-D166 PolarHBondContact OD1-N 3.19Å; D166-F168 HydrophobicContact CB-CE1 4.29Å; D166-F168 HydrophobicContact CB-CE2 3.9Å; D166-F168 HydrophobicContact CB-CZ 3.67Å; D166-F168 WeakPolarHBondContact O-CE2 3.46Å; D166-K399 IonicContact OD2-NZ 3.29Å; D166-K399 PolarHBondContact OD2-NZ 2.9Å
167	M	94.8	Very high	94.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142.8	166.8	-68.3	176.2	-69.4	0	0	109.8	Y124 M125 K127 C130 V139 F140 Q162 I430 F434	Y124-M167 CarbonylContact C-O 3.51Å; Y124-M167 WeakPolarHBondContact CA-O 3.4Å; M125-M167 HydrophobicContact CE-CB 4.22Å; M125-M167 PolarHBondContact N-O 2.89Å; M125-M167 PolarHBondContact O-N 2.73Å; K127-M167 HydrophobicContact CG-CE 4.39Å; K127-M167 HydrophobicContact CG-CG 3.95Å; C130-M167 HydrophobicContact CB-CE 4.25Å; V139-M167 HydrophobicContact CG1-CE 3.99Å; V139-M167 HydrophobicContact CG1-SD 4.25Å; F140-M167 HydrophobicContact CE2-SD 3.84Å; Q162-M167 HydrophobicContact CB-CG 4.44Å; M167-I430 HydrophobicContact CG-CG2 4.27Å; M167-I430 HydrophobicContact SD-CG2 3.77Å; M167-F434 HydrophobicContact CB-CD2 4.48Å; M167-F434 HydrophobicContact CB-CE2 3.82Å; M167-F434 HydrophobicContact CG-CD2 3.87Å; M167-F434 HydrophobicContact CG-CE2 3.72Å; M167-F434 HydrophobicContact SD-CD2 3.81Å; M167-F434 HydrophobicContact SD-CE2 3.97Å
168	F	95.3	Very high	93.9	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.5	-174	-56.5	-90.7	0	0	0	111.8	F91 M122 Y124 S160 F161 D163 D166	F91-F168 HydrophobicContact CD2-CD1 4.1Å; F91-F168 AromaticContact CD2-CE1 3.48Å; F91-F168 HydrophobicContact CD2-CE1 3.48Å; F91-F168 VanDerWaalsContact CD2-CE1 3.48Å; F91-F168 HydrophobicContact CD2-CE2 4.35Å; F91-F168 AromaticContact CD2-CZ 3.63Å; F91-F168 HydrophobicContact CD2-CZ 3.63Å; F91-F168 HydrophobicContact CE2-CD1 4.47Å; F91-F168 AromaticContact CE2-CE1 3.67Å; F91-F168 HydrophobicContact CE2-CE1 3.67Å; F91-F168 HydrophobicContact CE2-CZ 4.05Å; F91-F168 HydrophobicContact CG-CZ 4.46Å; M122-F168 HydrophobicContact CG-CD1 4.19Å; M122-F168 HydrophobicContact SD-CD1 3.72Å; M122-F168 HydrophobicContact SD-CE1 4.3Å; Y124-F168 HydrophobicContact CG-CE1 4.42Å; S160-F168 VanDerWaalsContact CA-O 3.31Å; S160-F168 WeakPolarHBondContact CA-O 3.31Å; F161-F168 HydrophobicContact CD2-CB 3.77Å; F161-F168 AromaticContact CD2-CD2 3.51Å; F161-F168 HydrophobicContact CD2-CD2 3.51Å; F161-F168 HydrophobicContact CD2-CE2 4.36Å; F161-F168 AromaticContact CD2-CG 3.83Å; F161-F168 HydrophobicContact CD2-CG 3.83Å; F161-F168 HydrophobicContact CE1-CB 4.42Å; F161-F168 HydrophobicContact CE2-CB 3.51Å; F161-F168 HydrophobicContact CE2-CD1 4.12Å; F161-F168 AromaticContact CE2-CD2 3.48Å; F161-F168 HydrophobicContact CE2-CD2 3.48Å; F161-F168 VanDerWaalsContact CE2-CD2 3.48Å; F161-F168 HydrophobicContact CE2-CE2 4.21Å; F161-F168 AromaticContact CE2-CG 3.42Å; F161-F168 HydrophobicContact CE2-CG 3.42Å; F161-F168 VanDerWaalsContact CE2-CG 3.42Å; F161-F168 HydrophobicContact CG-CB 4.32Å; F161-F168 HydrophobicContact CZ-CB 3.89Å; F161-F168 HydrophobicContact CZ-CG 4.15Å; F161-F168 PolarHBondContact N-O 2.86Å; F161-F168 WeakPolarHBondContact O-CA 3.24Å; F161-F168 WeakPolarHBondContact O-CB 3.33Å; F161-F168 PolarHBondContact O-N 3Å; D163-F168 HydrophobicContact CB-CE2 4.03Å; D166-F168 HydrophobicContact CB-CE1 4.29Å; D166-F168 HydrophobicContact CB-CE2 3.9Å; D166-F168 HydrophobicContact CB-CZ 3.67Å; D166-F168 WeakPolarHBondContact O-CE2 3.46Å
169	M	96.2	Very high	93.8	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.4	165.5	-69.5	161.4	175.9	0	0	108.4	M122 K123 M125 V139 E142 L143 L157	M122-M169 CarbonylContact C-O 3.55Å; M122-M169 VanDerWaalsContact CA-O 3.32Å; M122-M169 WeakPolarHBondContact CA-O 3.34Å; K123-M169 HydrophobicContact CB-CB 4.31Å; K123-M169 HydrophobicContact CD-SD 3.82Å; K123-M169 PolarHBondContact N-O 3.2Å; K123-M169 PolarHBondContact O-N 3.13Å; M125-M169 HydrophobicContact CE-CE 3.76Å; M125-M169 HydrophobicContact CE-CG 3.84Å; M125-M169 HydrophobicContact CE-SD 3.59Å; M125-M169 VanDerWaalsContact CE-SD 3.59Å; M125-M169 HydrophobicContact SD-CE 4.27Å; M125-M169 HydrophobicContact SD-SD 4.19Å; V139-M169 HydrophobicContact CG1-CE 4.05Å; E142-M169 HydrophobicContact CB-CE 4.19Å; E142-M169 HydrophobicContact CG-CE 4.19Å; E142-M169 WeakPolarHBondContact OE2-CE 3.36Å; L143-M169 HydrophobicContact CB-CE 4.49Å; L143-M169 HydrophobicContact CD1-CE 4.4Å; L143-M169 HydrophobicContact CD2-CE 3.49Å; L143-M169 VanDerWaalsContact CD2-CE 3.49Å; L143-M169 HydrophobicContact CD2-CG 3.6Å; L143-M169 HydrophobicContact CD2-SD 4.37Å; L143-M169 HydrophobicContact CG-CE 3.46Å; L143-M169 VanDerWaalsContact CG-CE 3.46Å; L157-M169 HydrophobicContact CD1-CB 3.96Å; L157-M169 HydrophobicContact CD1-CG 4.25Å
170	V	97.2	Very high	93.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	115.2	176	-178.2	0	0	0	0	108.6	F94 V111 Y120 A121 M122 W158 Y159 F161	F94-V170 HydrophobicContact CE1-CG1 3.97Å; F94-V170 HydrophobicContact CE1-CG2 4.47Å; F94-V170 HydrophobicContact CE2-CG2 4.43Å; F94-V170 HydrophobicContact CZ-CG1 4.19Å; F94-V170 HydrophobicContact CZ-CG2 4.17Å; V111-V170 HydrophobicContact CG2-CG1 4.47Å; Y120-V170 VanDerWaalsContact CB-CG1 3.47Å; Y120-V170 HydrophobicContact CD1-CG1 3.99Å; Y120-V170 HydrophobicContact CD2-CG1 4.34Å; Y120-V170 HydrophobicContact CG-CG1 3.7Å; A121-V170 CarbonylContact O-C 3.35Å; A121-V170 WeakPolarHBondContact O-CA 3.5Å; M122-V170 HydrophobicContact CB-CG2 4.32Å; M122-V170 HydrophobicContact CE-CG2 3.62Å; M122-V170 HydrophobicContact CG-CG2 4.07Å; W158-V170 PolarHBondContact N-O 2.8Å; Y159-V170 HydrophobicContact CD2-CB 3.82Å; Y159-V170 HydrophobicContact CD2-CG1 3.71Å; Y159-V170 HydrophobicContact CE2-CG1 4.28Å; Y159-V170 HydrophobicContact CG-CB 4.5Å; Y159-V170 PolarHBondContact N-O 3.38Å; Y159-V170 PolarHBondContact O-N 3.03Å; F161-V170 HydrophobicContact CE1-CG2 3.89Å; F161-V170 HydrophobicContact CZ-CG2 4.24Å
171	V	97.5	Very high	93.4	Very high	21 Å²	21	25 Å²	25	13%	0.127	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	172.5	-169.8	-53.3	0	0	0	0	111.7	Y120 A121 V155 N156 L157	Y120-V171 WeakPolarHBondContact CB-O 3.4Å; A121-V171 HydrophobicContact CB-CG2 3.94Å; A121-V171 PolarHBondContact N-O 2.67Å; A121-V171 PolarHBondContact O-N 2.82Å; V155-V171 HydrophobicContact CG1-CB 3.74Å; V155-V171 HydrophobicContact CG1-CG2 3.66Å; N156-V171 CarbonylContact O-C 3.59Å; N156-V171 VanDerWaalsContact O-CA 3.23Å; N156-V171 WeakPolarHBondContact O-CA 3.29Å; N156-V171 WeakPolarHBondContact O-CB 3.32Å; L157-V171 HydrophobicContact CB-CG1 4.46Å; L157-V171 HydrophobicContact CD1-CG1 4.02Å
172	D	96.5	Very high	93.2	Very high	33 Å²	33	25.2 Å²	25.2	18%	0.176	13%	0.126	C	C	.	.			trans	-51.4	137.6	173.6	-72.1	-42.5	0	0	0	112.8	V155 N156 W158	V155-D172 HydrophobicContact CG1-CB 4.38Å; N156-D172 VanDerWaalsContact CB-OD2 3.25Å; N156-D172 WeakPolarHBondContact CB-OD2 3.35Å; N156-D172 PolarHBondContact N-OD2 3.36Å; N156-D172 PolarHBondContact ND2-OD2 2.89Å; N156-D172 PolarHBondContact O-N 2.81Å; W158-D172 PolarHBondContact NE1-OD1 2.78Å
173	L	94.7	Very high	93.1	Very high	30 Å²	30	24.7 Å²	24.7	16%	0.157	12%	0.124	C	C	.	.			trans	-94.1	108	176	179.5	59	0	0	0	111	I100 I110 M119 A121 L175	I100-L173 HydrophobicContact CD1-CD1 4.22Å; I110-L173 HydrophobicContact CD1-CD1 4.4Å; I110-L173 HydrophobicContact CG1-CD1 3.88Å; I110-L173 HydrophobicContact CG1-CD2 4.37Å; I110-L173 HydrophobicContact CG2-CD2 3.91Å; M119-L173 HydrophobicContact CB-CD2 3.78Å; M119-L173 HydrophobicContact CE-CD2 4.22Å; A121-L173 HydrophobicContact CB-CD1 4.16Å; L173-L175 HydrophobicContact CD1-CD2 4.02Å; L173-L175 HydrophobicContact CD2-CD2 3.96Å; L173-L175 HydrophobicContact CD2-CG 4.42Å; L173-L175 HydrophobicContact CG-CD2 3.85Å; L173-L175 HydrophobicContact CG-CG 4.11Å
174	L	93.2	Very high	93.1	Very high	28 Å²	28	29 Å²	29	15%	0.147	14%	0.143	C	C	.	.			trans	-104.3	116	177.1	-58.6	-174.6	0	0	0	110.3	V155 L224 D226 H232	V155-L174 HydrophobicContact CG2-CD1 3.5Å; V155-L174 VanDerWaalsContact CG2-CD1 3.5Å; V155-L174 HydrophobicContact CG2-CG 4.35Å; L174-L224 HydrophobicContact CB-CB 3.98Å; L174-L224 HydrophobicContact CB-CD1 4.22Å; L174-L224 HydrophobicContact CD1-CB 3.63Å; L174-L224 HydrophobicContact CD1-CD1 4.3Å; L174-L224 HydrophobicContact CG-CB 4.45Å; L174-D226 HydrophobicContact CD2-CB 3.9Å; L174-H232 HydrophobicContact CD1-CB 3.44Å; L174-H232 VanDerWaalsContact CD1-CB 3.44Å; L174-H232 VanDerWaalsContact CD1-CG 3.42Å
175	L	87.5	Confident	93.1	Very high	31 Å²	31	27.3 Å²	27.3	16%	0.162	14%	0.136	C	C	.	.			trans	-95.1	-9.2	-168.1	-66.6	171.7	0	0	0	113.9	W61 I110 L173 G177 E227 L378	W61-L175 HydrophobicContact CZ2-CD1 4.37Å; I110-L175 HydrophobicContact CD1-CD2 4.37Å; L173-L175 HydrophobicContact CD1-CD2 4.02Å; L173-L175 HydrophobicContact CD2-CD2 3.96Å; L173-L175 HydrophobicContact CD2-CG 4.42Å; L173-L175 HydrophobicContact CG-CD2 3.85Å; L173-L175 HydrophobicContact CG-CG 4.11Å; L175-G177 VanDerWaalsContact C-N 3.25Å; L175-G177 PolarHBondContact O-N 3.38Å; L175-E227 HydrophobicContact CB-CG 4.17Å; L175-E227 HydrophobicContact CD1-CG 4.1Å; L175-E227 VanDerWaalsContact CD1-OE1 3.31Å; L175-E227 WeakPolarHBondContact CD1-OE1 3.39Å; L175-L378 HydrophobicContact CD2-CD2 3.55Å
176	G	90	Very high	93.1	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.021	16%	0.158	C	C	.	.	S	Bend	trans	-74.4	-11.6	178.7	0	0	0	0	0	114.4	H182 L225 H379	G176-H182 PolarHBondContact O-CE1 2.99Å; G176-H182 PolarHBondContact O-NE2 3.18Å; G176-L225 WeakPolarHBondContact CA-O 3.16Å; G176-L225 PolarHBondContact N-O 2.95Å; G176-H379 WeakPolarHBondContact O-CB 3.16Å; G176-H379 PolarHBondContact O-CD2 2.85Å
177	G	90.4	Very high	93	Very high	10 Å²	10	32.5 Å²	32.5	10%	0.103	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.4	176.9	-175.7	0	0	0	0	0	113	L175 L225 H379	L175-G177 VanDerWaalsContact C-N 3.25Å; L175-G177 PolarHBondContact O-N 3.38Å; G177-L225 PolarHBondContact O-N 2.95Å; G177-H379 WeakPolarHBondContact CA-O 3.5Å
178	D	93.1	Very high	92.8	Very high	41 Å²	41	41.5 Å²	41.5	22%	0.219	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	155	177.1	58.6	89.9	0	0	0	112.8	R180 Y181 H182 I223 L224	D178-R180 PolarHBondContact O-N 2.95Å; D178-R180 WeakPolarHBondContact OD1-CA 3.15Å; D178-R180 WeakPolarHBondContact OD1-CB 3.32Å; D178-R180 PolarHBondContact OD1-N 3.2Å; D178-Y181 WeakPolarHBondContact O-CB 3.49Å; D178-Y181 PolarHBondContact O-N 3.27Å; D178-Y181 PolarHBondContact OD1-N 3.46Å; D178-H182 PolarHBondContact O-CD2 3.37Å; D178-I223 CarbonylContact C-O 3.5Å; D178-I223 VanDerWaalsContact CA-O 3.27Å; D178-I223 WeakPolarHBondContact CA-O 3.37Å; D178-L224 HydrophobicContact CB-CD2 3.67Å
179	L	95.8	Very high	92.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.6	-24	177.6	-72.5	-177.3	0	0	0	113.1	H182 L183 F189 Y197 P220 I223 L225 M285 L289	L179-H182 PolarHBondContact O-N 3.11Å; L179-L183 PolarHBondContact O-N 3.35Å; L179-F189 HydrophobicContact CD2-CE1 4.24Å; L179-F189 HydrophobicContact CD2-CZ 3.89Å; L179-Y197 HydrophobicContact CD1-CD2 4.11Å; L179-Y197 HydrophobicContact CD1-CE2 4.29Å; L179-Y197 HydrophobicContact CD2-CD2 4.46Å; L179-Y197 HydrophobicContact CD2-CE2 3.82Å; L179-P220 HydrophobicContact CB-CB 3.94Å; L179-P220 WeakPolarHBondContact CB-O 3.45Å; L179-P220 PolarHBondContact N-O 3.24Å; L179-I223 HydrophobicContact CD1-CB 3.79Å; L179-I223 HydrophobicContact CD1-CG1 4.43Å; L179-I223 HydrophobicContact CD1-CG2 3.54Å; L179-I223 HydrophobicContact CG-CB 4.09Å; L179-I223 HydrophobicContact CG-CG2 3.95Å; L179-I223 PolarHBondContact N-O 3.49Å; L179-L225 HydrophobicContact CD2-CD1 3.83Å; L179-L225 HydrophobicContact CD2-CD2 3.92Å; L179-L225 HydrophobicContact CD2-CG 3.95Å; L179-L225 HydrophobicContact CG-CD2 4.44Å; L179-M285 HydrophobicContact CD1-SD 4.41Å; L179-L289 HydrophobicContact CB-CD2 4.26Å; L179-L289 HydrophobicContact CD1-CD1 3.97Å; L179-L289 HydrophobicContact CD1-CD2 4.19Å; L179-L289 HydrophobicContact CD2-CD2 4.47Å
180	R	94.8	Very high	92.8	Very high	38 Å²	38	44.7 Å²	44.7	14%	0.143	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-43.7	173.3	168.5	68.2	62.8	-143.8	-11.1	111.3	D178 H182 L183 Q184 P220 D221 Y257 E288	D178-R180 PolarHBondContact O-N 2.95Å; D178-R180 WeakPolarHBondContact OD1-CA 3.15Å; D178-R180 WeakPolarHBondContact OD1-CB 3.32Å; D178-R180 PolarHBondContact OD1-N 3.2Å; R180-H182 VanDerWaalsContact C-N 3.34Å; R180-H182 PolarHBondContact O-N 3.03Å; R180-L183 WeakPolarHBondContact O-CB 3.46Å; R180-L183 PolarHBondContact O-N 3.39Å; R180-Q184 HydrophobicContact CG-CG 4.41Å; R180-Q184 WeakPolarHBondContact O-CG 3.25Å; R180-Q184 PolarHBondContact O-N 3.35Å; R180-P220 HydrophobicContact CB-CB 4.14Å; R180-P220 PolarHBondContact N-O 3.39Å; R180-P220 VanDerWaalsContact N-O 3.11Å; R180-D221 HydrophobicContact CB-CB 4.11Å; R180-D221 WeakPolarHBondContact CG-OD1 3.34Å; R180-D221 IonicContact CZ-OD1 3.22Å; R180-D221 IonicContact CZ-OD2 2.64Å; R180-D221 IonicContact NE-OD1 3.11Å; R180-D221 PolarHBondContact NE-OD1 3.37Å; R180-D221 IonicContact NE-OD2 2.68Å; R180-D221 PolarHBondContact NE-OD2 2.89Å; R180-D221 IonicContact NH2-OD1 2.71Å; R180-D221 IonicContact NH2-OD2 2.92Å; R180-D221 PolarHBondContact NH2-OD2 3.02Å; R180-Y257 PolarHBondContact NH2-OH 3.02Å; R180-E288 IonicContact CZ-OE1 2.65Å; R180-E288 IonicContact NH1-OE1 3.44Å; R180-E288 PolarHBondContact NH1-OE1 3.37Å; R180-E288 IonicContact NH2-OE1 3.48Å
181	Y	91.3	Very high	92.8	Very high	18 Å²	18	46.6 Å²	46.6	7%	0.071	24%	0.238	C	C	.	.	H	α-helix	trans	-56.9	-48.6	176.6	177.3	-91.2	0	0	0	110.7	D178 L183 Q184 Q185 R377 H379	D178-Y181 WeakPolarHBondContact O-CB 3.49Å; D178-Y181 PolarHBondContact O-N 3.27Å; D178-Y181 PolarHBondContact OD1-N 3.46Å; Y181-L183 PolarHBondContact O-N 3.28Å; Y181-Q184 WeakPolarHBondContact O-CB 3.4Å; Y181-Q184 PolarHBondContact O-N 3.36Å; Y181-Q184 VanDerWaalsContact O-N 3.13Å; Y181-Q185 HydrophobicContact CD1-CG 4.08Å; Y181-Q185 HydrophobicContact CE1-CG 3.67Å; Y181-Q185 HydrophobicContact CE2-CG 4.46Å; Y181-Q185 WeakPolarHBondContact O-CG 3.3Å; Y181-Q185 PolarHBondContact O-N 2.65Å; Y181-R377 PolarHBondContact OH-NH2 3.12Å; Y181-H379 HydrophobicContact CD1-CB 3.71Å; Y181-H379 HydrophobicContact CE1-CB 3.6Å; Y181-H379 AromaticContact CE1-ND1 3.69Å; Y181-H379 HydrophobicContact CG-CB 4.48Å
182	H	92.4	Very high	92.7	Very high	6 Å²	6	50.7 Å²	50.7	3%	0.028	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-40.6	179.3	-65.9	-63.1	0	0	0	112.4	G176 D178 L179 R180 Q184 Q185 N186 V187 F189 F371 H379	G176-H182 PolarHBondContact O-CE1 2.99Å; G176-H182 PolarHBondContact O-NE2 3.18Å; D178-H182 PolarHBondContact O-CD2 3.37Å; L179-H182 PolarHBondContact O-N 3.11Å; R180-H182 VanDerWaalsContact C-N 3.34Å; R180-H182 PolarHBondContact O-N 3.03Å; H182-Q184 PolarHBondContact O-N 3.25Å; H182-Q185 CarbonylContact O-C 3.57Å; H182-Q185 PolarHBondContact O-N 2.64Å; H182-N186 PolarHBondContact O-N 3.48Å; H182-V187 HydrophobicContact CB-CB 4.15Å; H182-V187 HydrophobicContact CB-CG2 3.97Å; H182-V187 VanDerWaalsContact O-CB 3.3Å; H182-V187 WeakPolarHBondContact O-CB 3.35Å; H182-V187 WeakPolarHBondContact O-CG2 3.28Å; H182-V187 PolarHBondContact O-N 3.12Å; H182-F189 HydrophobicContact CB-CE2 4.22Å; H182-F189 HydrophobicContact CB-CZ 3.68Å; H182-F371 AromaticContact CE1-CE1 3.98Å; H182-F371 AromaticContact CE1-CZ 3.92Å; H182-F371 AromaticContact ND1-CE1 3.92Å; H182-F371 AromaticContact ND1-CZ 3.57Å; H182-H379 AromaticContact CE1-CG 3.9Å
183	L	92.1	Very high	92.7	Very high	20 Å²	20	49.2 Å²	49.2	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-44.5	170.6	-80.8	170.9	0	0	0	112.4	L179 R180 Y181 Q185 N186 P220 E288 L289	L179-L183 PolarHBondContact O-N 3.35Å; R180-L183 WeakPolarHBondContact O-CB 3.46Å; R180-L183 PolarHBondContact O-N 3.39Å; Y181-L183 PolarHBondContact O-N 3.28Å; L183-Q185 VanDerWaalsContact C-N 3.29Å; L183-Q185 PolarHBondContact O-N 3.22Å; L183-N186 WeakPolarHBondContact O-CA 3.35Å; L183-N186 PolarHBondContact O-N 2.82Å; L183-P220 HydrophobicContact CD1-CB 3.86Å; L183-P220 HydrophobicContact CD1-CG 3.79Å; L183-E288 HydrophobicContact CD1-CG 3.95Å; L183-L289 HydrophobicContact CD1-CD2 4.07Å; L183-L289 HydrophobicContact CD2-CD2 4.29Å; L183-L289 HydrophobicContact CG-CD2 4.05Å
184	Q	91.4	Very high	92.9	Very high	121 Å²	121	47.8 Å²	47.8	57%	0.565	24%	0.244	S	C	*	.	H	α-helix	trans	-66.4	-28.6	177.4	-71.4	174.6	-1.7	0	0	113.1	R180 Y181 H182 N186	R180-Q184 HydrophobicContact CG-CG 4.41Å; R180-Q184 WeakPolarHBondContact O-CG 3.25Å; R180-Q184 PolarHBondContact O-N 3.35Å; Y181-Q184 WeakPolarHBondContact O-CB 3.4Å; Y181-Q184 PolarHBondContact O-N 3.36Å; Y181-Q184 VanDerWaalsContact O-N 3.13Å; H182-Q184 PolarHBondContact O-N 3.25Å; Q184-N186 PolarHBondContact O-N 3.19Å
185	Q	88.3	Confident	93.1	Very high	101 Å²	101	47.5 Å²	47.5	47%	0.472	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	9.1	170.9	-60	-49.3	-75.7	0	0	113.3	Y181 H182 L183 V187	Y181-Q185 HydrophobicContact CD1-CG 4.08Å; Y181-Q185 HydrophobicContact CE1-CG 3.67Å; Y181-Q185 HydrophobicContact CE2-CG 4.46Å; Y181-Q185 WeakPolarHBondContact O-CG 3.3Å; Y181-Q185 PolarHBondContact O-N 2.65Å; H182-Q185 CarbonylContact O-C 3.57Å; H182-Q185 PolarHBondContact O-N 2.64Å; L183-Q185 VanDerWaalsContact C-N 3.29Å; L183-Q185 PolarHBondContact O-N 3.22Å; Q185-V187 VanDerWaalsContact C-N 3.25Å; Q185-V187 HydrophobicContact CB-CG2 4.43Å; Q185-V187 PolarHBondContact O-N 2.77Å
186	N	89.3	Confident	93.6	Very high	142 Å²	142	46.8 Å²	46.8	76%	0.759	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	32.9	-176.8	-57.1	119.4	0	0	0	114.1	H182 L183 Q184 Q188	H182-N186 PolarHBondContact O-N 3.48Å; L183-N186 WeakPolarHBondContact O-CA 3.35Å; L183-N186 PolarHBondContact O-N 2.82Å; Q184-N186 PolarHBondContact O-N 3.19Å; N186-Q188 PolarHBondContact O-N 2.85Å
187	V	91.6	Very high	94	Very high	38 Å²	38	46.8 Å²	46.8	23%	0.23	24%	0.237	C	C	.	.			trans	-61.4	129.5	170.4	174.8	0	0	0	0	109.2	H182 Q185 F189 F371	H182-V187 HydrophobicContact CB-CB 4.15Å; H182-V187 HydrophobicContact CB-CG2 3.97Å; H182-V187 VanDerWaalsContact O-CB 3.3Å; H182-V187 WeakPolarHBondContact O-CB 3.35Å; H182-V187 WeakPolarHBondContact O-CG2 3.28Å; H182-V187 PolarHBondContact O-N 3.12Å; Q185-V187 VanDerWaalsContact C-N 3.25Å; Q185-V187 HydrophobicContact CB-CG2 4.43Å; Q185-V187 PolarHBondContact O-N 2.77Å; V187-F189 HydrophobicContact CB-CE2 4.23Å; V187-F189 HydrophobicContact CB-CZ 4.35Å; V187-F189 HydrophobicContact CG1-CD1 4.23Å; V187-F189 HydrophobicContact CG1-CD2 4.22Å; V187-F189 HydrophobicContact CG1-CE1 3.96Å; V187-F189 HydrophobicContact CG1-CE2 3.93Å; V187-F189 HydrophobicContact CG1-CG 4.37Å; V187-F189 HydrophobicContact CG1-CZ 3.81Å; V187-F371 HydrophobicContact CG1-CD2 4.05Å; V187-F371 HydrophobicContact CG1-CE2 3.57Å; V187-F371 HydrophobicContact CG1-CZ 4.04Å; V187-F371 HydrophobicContact CG2-CE2 4.34Å; V187-F371 HydrophobicContact CG2-CZ 4.36Å
188	Q	90.1	Very high	94.4	Very high	189 Å²	189	46.3 Å²	46.3	88%	0.883	23%	0.232	S	C	*	.			trans	-97.5	108.9	171.8	-66.7	-176.7	-6.3	0	0	108.6	N186	N186-Q188 PolarHBondContact O-N 2.85Å
189	F	95.4	Very high	94.6	Very high	15 Å²	15	44.5 Å²	44.5	7%	0.066	22%	0.222	C	C	.	.			trans	-79.3	141	175.5	-63.7	-82.2	0	0	0	110.4	L179 H182 V187 T193 V194 Y197 L289 F371	L179-F189 HydrophobicContact CD2-CE1 4.24Å; L179-F189 HydrophobicContact CD2-CZ 3.89Å; H182-F189 HydrophobicContact CB-CE2 4.22Å; H182-F189 HydrophobicContact CB-CZ 3.68Å; V187-F189 HydrophobicContact CB-CE2 4.23Å; V187-F189 HydrophobicContact CB-CZ 4.35Å; V187-F189 HydrophobicContact CG1-CD1 4.23Å; V187-F189 HydrophobicContact CG1-CD2 4.22Å; V187-F189 HydrophobicContact CG1-CE1 3.96Å; V187-F189 HydrophobicContact CG1-CE2 3.93Å; V187-F189 HydrophobicContact CG1-CG 4.37Å; V187-F189 HydrophobicContact CG1-CZ 3.81Å; F189-T193 HydrophobicContact CD1-CG2 3.93Å; F189-V194 HydrophobicContact CB-CG2 3.66Å; F189-Y197 HydrophobicContact CD1-CE2 4.05Å; F189-Y197 AromaticContact CE1-CE2 3.98Å; F189-Y197 HydrophobicContact CE1-CE2 3.98Å; F189-L289 HydrophobicContact CD2-CB 4.16Å; F189-L289 HydrophobicContact CD2-CD2 3.8Å; F189-L289 HydrophobicContact CE2-CD2 3.59Å; F189-L289 HydrophobicContact CZ-CD2 4.28Å; F189-F371 HydrophobicContact CD1-CB 4.27Å; F189-F371 HydrophobicContact CD1-CD1 4.47Å; F189-F371 HydrophobicContact CD1-CG 4.22Å; F189-F371 HydrophobicContact CE1-CB 4.34Å; F189-F371 AromaticContact CE1-CD1 3.72Å; F189-F371 HydrophobicContact CE1-CD1 3.72Å; F189-F371 HydrophobicContact CE1-CD2 4.34Å; F189-F371 HydrophobicContact CE1-CE1 4.03Å; F189-F371 AromaticContact CE1-CG 3.88Å; F189-F371 HydrophobicContact CE1-CG 3.88Å; F189-F371 HydrophobicContact CE1-CZ 4.47Å
190	S	96.3	Very high	94.8	Very high	54 Å²	54	44.5 Å²	44.5	38%	0.378	22%	0.222	S	C	.	.			trans	-74	159.5	172.5	73.4	0	0	0	0	110.7	D192 T193 V194	S190-D192 PolarHBondContact O-N 3.36Å; S190-D192 PolarHBondContact OG-N 2.85Å; S190-T193 PolarHBondContact O-N 2.92Å; S190-T193 PolarHBondContact OG-N 2.8Å; S190-T193 PolarHBondContact OG-OG1 3.18Å; S190-V194 PolarHBondContact O-N 3.42Å
191	E	96.5	Very high	94.9	Very high	40 Å²	40	42.7 Å²	42.7	19%	0.187	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-33.4	172.5	-74.1	-173.2	-136.6	0	0	112.4	V194 R195 L290 W322 S323 M326	E191-V194 PolarHBondContact O-N 2.92Å; E191-R195 VanDerWaalsContact O-CB 3.25Å; E191-R195 WeakPolarHBondContact O-CB 3.31Å; E191-R195 PolarHBondContact O-N 2.71Å; E191-L290 HydrophobicContact CG-CD2 3.95Å; E191-W322 WeakPolarHBondContact OE1-CA 3.33Å; E191-S323 PolarHBondContact OE1-N 3.29Å; E191-S323 WeakPolarHBondContact OE2-CB 3.26Å; E191-S323 PolarHBondContact OE2-N 2.89Å; E191-S323 VanDerWaalsContact OE2-N 3.12Å; E191-S323 PolarHBondContact OE2-OG 3.22Å; E191-M326 HydrophobicContact CB-CE 4.1Å; E191-M326 HydrophobicContact CG-CB 4.5Å; E191-M326 HydrophobicContact CG-CE 4.48Å; E191-M326 HydrophobicContact CG-CG 4.34Å; E191-M326 WeakPolarHBondContact O-CE 3.29Å; E191-M326 WeakPolarHBondContact OE2-CB 3.44Å
192	D	95.9	Very high	95.3	Very high	108 Å²	108	41.9 Å²	41.9	58%	0.578	21%	0.213	S	C	*	.	H	α-helix	trans	-70.9	-40.8	179.4	-55.3	-29	0	0	0	111.7	S190 R195 L196	S190-D192 PolarHBondContact O-N 3.36Å; S190-D192 PolarHBondContact OG-N 2.85Å; D192-R195 PolarHBondContact O-N 2.97Å; D192-R195 IonicContact OD1-CZ 3.44Å; D192-R195 IonicContact OD1-NH1 3.43Å; D192-R195 PolarHBondContact OD1-NH1 2.89Å; D192-R195 IonicContact OD1-NH2 3.15Å; D192-L196 PolarHBondContact O-N 3.21Å
193	T	96.9	Very high	95.6	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-43.9	173.2	-57.5	0	0	0	0	111.5	F189 S190 L196 Y197 G370 F371	F189-T193 HydrophobicContact CD1-CG2 3.93Å; S190-T193 PolarHBondContact O-N 2.92Å; S190-T193 PolarHBondContact OG-N 2.8Å; S190-T193 PolarHBondContact OG-OG1 3.18Å; T193-L196 WeakPolarHBondContact O-CB 3.41Å; T193-L196 PolarHBondContact O-N 3.46Å; T193-Y197 HydrophobicContact CG2-CD2 4.29Å; T193-Y197 HydrophobicContact CG2-CE1 4.07Å; T193-Y197 HydrophobicContact CG2-CE2 3.63Å; T193-Y197 PolarHBondContact O-N 2.9Å; T193-G370 WeakPolarHBondContact OG1-CA 3.24Å; T193-F371 HydrophobicContact CG2-CB 3.74Å
194	V	97.9	Very high	95.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.7	-35.7	178.3	177.6	0	0	0	0	111.4	F189 S190 E191 L196 Y197 I198 A286 L289 L290 M326	F189-V194 HydrophobicContact CB-CG2 3.66Å; S190-V194 PolarHBondContact O-N 3.42Å; E191-V194 PolarHBondContact O-N 2.92Å; V194-L196 VanDerWaalsContact C-N 3.32Å; V194-L196 PolarHBondContact O-N 2.86Å; V194-Y197 PolarHBondContact O-N 3.46Å; V194-I198 HydrophobicContact CG1-CD1 4.18Å; V194-I198 HydrophobicContact CG1-CG1 4.46Å; V194-I198 VanDerWaalsContact O-CG1 3.27Å; V194-I198 WeakPolarHBondContact O-CG1 3.34Å; V194-I198 PolarHBondContact O-N 2.82Å; V194-A286 HydrophobicContact CG1-CB 3.68Å; V194-L289 HydrophobicContact CG2-CB 3.76Å; V194-L289 HydrophobicContact CG2-CD1 4.48Å; V194-L290 HydrophobicContact CB-CD2 3.92Å; V194-L290 HydrophobicContact CB-CG 4.12Å; V194-L290 HydrophobicContact CG1-CD1 4.21Å; V194-L290 HydrophobicContact CG1-CD2 4.39Å; V194-L290 HydrophobicContact CG1-CG 4.04Å; V194-L290 HydrophobicContact CG2-CD2 3.65Å; V194-L290 HydrophobicContact CG2-CG 3.92Å; V194-M326 HydrophobicContact CB-CE 4.41Å; V194-M326 HydrophobicContact CG1-CE 4.45Å
195	R	97.8	Very high	96.3	Very high	22 Å²	22	36 Å²	36	8%	0.083	19%	0.185	C	C	.	.	H	α-helix	trans	-59.6	-43.7	172.2	-170.5	-173.8	-63.2	100	1.7	110.9	E191 D192 I198 C199 M326 L354	E191-R195 VanDerWaalsContact O-CB 3.25Å; E191-R195 WeakPolarHBondContact O-CB 3.31Å; E191-R195 PolarHBondContact O-N 2.71Å; D192-R195 PolarHBondContact O-N 2.97Å; D192-R195 IonicContact OD1-CZ 3.44Å; D192-R195 IonicContact OD1-NH1 3.43Å; D192-R195 PolarHBondContact OD1-NH1 2.89Å; D192-R195 IonicContact OD1-NH2 3.15Å; R195-I198 PolarHBondContact O-N 2.82Å; R195-C199 PolarHBondContact O-N 2.88Å; R195-C199 PolarHBondContact O-SG 3.08Å; R195-C199 VanDerWaalsContact O-SG 3.42Å; R195-M326 HydrophobicContact CB-CE 4.02Å; R195-L354 HydrophobicContact CG-CD2 3.5Å
196	L	97.8	Very high	96.7	Very high	16 Å²	16	33.7 Å²	33.7	8%	0.084	18%	0.176	C	C	.	.	H	α-helix	trans	-58.9	-52.2	175	179	61.8	0	0	0	111.4	D192 T193 V194 I198 C199 E200 L362 V367 P369	D192-L196 PolarHBondContact O-N 3.21Å; T193-L196 WeakPolarHBondContact O-CB 3.41Å; T193-L196 PolarHBondContact O-N 3.46Å; V194-L196 VanDerWaalsContact C-N 3.32Å; V194-L196 PolarHBondContact O-N 2.86Å; L196-I198 VanDerWaalsContact C-N 3.27Å; L196-I198 PolarHBondContact O-N 2.68Å; L196-C199 WeakPolarHBondContact O-CA 3.38Å; L196-C199 WeakPolarHBondContact O-CB 3.28Å; L196-C199 PolarHBondContact O-N 3.11Å; L196-E200 HydrophobicContact CD1-CG 4.05Å; L196-E200 HydrophobicContact CG-CG 4.24Å; L196-E200 WeakPolarHBondContact O-CG 3.47Å; L196-E200 PolarHBondContact O-N 2.95Å; L196-L362 HydrophobicContact CD1-CD2 3.21Å; L196-V367 HydrophobicContact CD1-CG1 4.2Å; L196-P369 HydrophobicContact CD2-CB 3.8Å; L196-P369 HydrophobicContact CD2-CG 3.9Å
197	Y	98.6	Very high	97.2	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-59.7	-35.6	178.8	-61.7	-19.3	0	0	0	113	L179 F189 T193 V194 M201 L225 G229 A231 L289	L179-Y197 HydrophobicContact CD1-CD2 4.11Å; L179-Y197 HydrophobicContact CD1-CE2 4.29Å; L179-Y197 HydrophobicContact CD2-CD2 4.46Å; L179-Y197 HydrophobicContact CD2-CE2 3.82Å; F189-Y197 HydrophobicContact CD1-CE2 4.05Å; F189-Y197 AromaticContact CE1-CE2 3.98Å; F189-Y197 HydrophobicContact CE1-CE2 3.98Å; T193-Y197 HydrophobicContact CG2-CD2 4.29Å; T193-Y197 HydrophobicContact CG2-CE1 4.07Å; T193-Y197 HydrophobicContact CG2-CE2 3.63Å; T193-Y197 PolarHBondContact O-N 2.9Å; V194-Y197 PolarHBondContact O-N 3.46Å; Y197-M201 WeakPolarHBondContact O-CB 3.3Å; Y197-M201 VanDerWaalsContact O-CG 3.23Å; Y197-M201 WeakPolarHBondContact O-CG 3.48Å; Y197-M201 PolarHBondContact O-N 3.3Å; Y197-L225 HydrophobicContact CE1-CD2 4.05Å; Y197-G229 VanDerWaalsContact CE1-O 3.3Å; Y197-G229 WeakPolarHBondContact CE1-O 3.27Å; Y197-G229 PolarHBondContact OH-O 3.02Å; Y197-A231 HydrophobicContact CD1-CB 3.72Å; Y197-A231 HydrophobicContact CE1-CB 4.25Å; Y197-A231 HydrophobicContact CG-CB 4.15Å; Y197-L289 HydrophobicContact CD2-CD1 4.13Å
198	I	98.6	Very high	97.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-44.1	172	-68.4	164.9	0	0	0	110.8	V194 R195 L196 A202 V282 A286 M326 L329 L333 M348	V194-I198 HydrophobicContact CG1-CD1 4.18Å; V194-I198 HydrophobicContact CG1-CG1 4.46Å; V194-I198 VanDerWaalsContact O-CG1 3.27Å; V194-I198 WeakPolarHBondContact O-CG1 3.34Å; V194-I198 PolarHBondContact O-N 2.82Å; R195-I198 PolarHBondContact O-N 2.82Å; L196-I198 VanDerWaalsContact C-N 3.27Å; L196-I198 PolarHBondContact O-N 2.68Å; I198-A202 VanDerWaalsContact O-CB 3.3Å; I198-A202 WeakPolarHBondContact O-CB 3.38Å; I198-A202 PolarHBondContact O-N 2.84Å; I198-V282 HydrophobicContact CG1-CG1 4.28Å; I198-V282 HydrophobicContact CG2-CG1 4.36Å; I198-A286 HydrophobicContact CD1-CB 3.68Å; I198-A286 HydrophobicContact CG1-CB 3.69Å; I198-M326 HydrophobicContact CD1-SD 4.25Å; I198-L329 HydrophobicContact CD1-CD2 3.92Å; I198-L329 HydrophobicContact CG2-CD2 4.21Å; I198-L333 HydrophobicContact CG2-CD1 4.12Å; I198-M348 HydrophobicContact CG2-CE 3.25Å
199	C	98.5	Very high	97.8	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-69.6	-40.4	179.9	-69.6	0	0	0	0	113.1	R195 L196 A202 L203 W359 L362	R195-C199 PolarHBondContact O-N 2.88Å; R195-C199 PolarHBondContact O-SG 3.08Å; R195-C199 VanDerWaalsContact O-SG 3.42Å; L196-C199 WeakPolarHBondContact O-CA 3.38Å; L196-C199 WeakPolarHBondContact O-CB 3.28Å; L196-C199 PolarHBondContact O-N 3.11Å; C199-A202 WeakPolarHBondContact O-CB 3.48Å; C199-A202 PolarHBondContact O-N 2.85Å; C199-L203 PolarHBondContact O-N 3.21Å; C199-W359 HydrophobicContact CB-CH2 3.98Å; C199-W359 HydrophobicContact CB-CZ3 3.85Å; C199-W359 VanDerWaalsContact SG-CH2 3.57Å; C199-L362 HydrophobicContact CB-CD1 3.56Å
200	E	98.6	Very high	97.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.9	-43.2	175.3	-65.5	179.2	148.7	0	0	111.2	F153 L196 L203 A204 H230 A231	F153-E200 HydrophobicContact CD1-CB 3.85Å; F153-E200 HydrophobicContact CD1-CG 4.01Å; F153-E200 HydrophobicContact CD2-CB 4.31Å; F153-E200 HydrophobicContact CE1-CB 3.91Å; F153-E200 HydrophobicContact CE1-CG 3.53Å; F153-E200 WeakPolarHBondContact CE1-OE1 3.27Å; F153-E200 HydrophobicContact CE2-CB 4.38Å; F153-E200 HydrophobicContact CE2-CG 4.28Å; F153-E200 HydrophobicContact CG-CB 4.06Å; F153-E200 HydrophobicContact CZ-CB 4.19Å; F153-E200 HydrophobicContact CZ-CG 3.69Å; L196-E200 HydrophobicContact CD1-CG 4.05Å; L196-E200 HydrophobicContact CG-CG 4.24Å; L196-E200 WeakPolarHBondContact O-CG 3.47Å; L196-E200 PolarHBondContact O-N 2.95Å; E200-L203 PolarHBondContact O-N 2.8Å; E200-A204 PolarHBondContact O-N 3.39Å; E200-A204 VanDerWaalsContact O-N 3.07Å; E200-H230 WeakPolarHBondContact OE1-CB 3.46Å; E200-H230 IonicContact OE1-CE1 2.66Å; E200-H230 IonicContact OE1-CG 3.84Å; E200-H230 IonicContact OE1-ND1 3.73Å; E200-H230 PolarHBondContact OE1-ND1 3.28Å; E200-A231 WeakPolarHBondContact OE2-CB 3.07Å; E200-A231 PolarHBondContact OE2-N 2.95Å
201	M	98.8	Very high	97.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-69.5	-33.6	173.9	-65.7	-59.3	95.5	0	0	112.6	F153 Y197 L203 A204 L205 I223 A231 L233 V282 M285	F153-M201 HydrophobicContact CB-CE 4.36Å; Y197-M201 WeakPolarHBondContact O-CB 3.3Å; Y197-M201 VanDerWaalsContact O-CG 3.23Å; Y197-M201 WeakPolarHBondContact O-CG 3.48Å; Y197-M201 PolarHBondContact O-N 3.3Å; M201-L203 VanDerWaalsContact C-N 3.34Å; M201-L203 PolarHBondContact O-N 3.38Å; M201-A204 HydrophobicContact CE-CB 4.46Å; M201-A204 PolarHBondContact O-N 2.95Å; M201-L205 WeakPolarHBondContact O-CB 3.28Å; M201-L205 VanDerWaalsContact O-CG 3.29Å; M201-L205 WeakPolarHBondContact O-CG 3.41Å; M201-L205 PolarHBondContact O-N 2.98Å; M201-I223 HydrophobicContact SD-CD1 3.46Å; M201-I223 WeakPolarHBondContact SD-CD1 3.27Å; M201-I223 HydrophobicContact SD-CG1 4.37Å; M201-A231 HydrophobicContact CE-CB 3.96Å; M201-A231 VanDerWaalsContact CE-O 3.28Å; M201-A231 WeakPolarHBondContact CE-O 3.23Å; M201-L233 HydrophobicContact CE-CB 4.5Å; M201-L233 HydrophobicContact SD-CB 4.07Å; M201-V282 HydrophobicContact CB-CG1 4.48Å; M201-V282 HydrophobicContact CB-CG2 3.96Å; M201-M285 HydrophobicContact CG-CE 4.23Å
202	A	98.6	Very high	97.9	Very high	1 Å²	1	28 Å²	28	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-60.7	-42.7	173.6	0	0	0	0	0	111.8	I198 C199 D206 W279 L345 M348 W359	I198-A202 VanDerWaalsContact O-CB 3.3Å; I198-A202 WeakPolarHBondContact O-CB 3.38Å; I198-A202 PolarHBondContact O-N 2.84Å; C199-A202 WeakPolarHBondContact O-CB 3.48Å; C199-A202 PolarHBondContact O-N 2.85Å; A202-D206 WeakPolarHBondContact O-CB 3.4Å; A202-D206 PolarHBondContact O-N 3.07Å; A202-W279 HydrophobicContact CB-CH2 3.68Å; A202-W279 HydrophobicContact CB-CZ3 3.59Å; A202-L345 HydrophobicContact CB-CD1 4.43Å; A202-M348 HydrophobicContact CB-CE 4.25Å; A202-M348 HydrophobicContact CB-CG 4.04Å; A202-W359 HydrophobicContact CB-CZ3 4.38Å
203	L	98.7	Very high	98	Very high	18 Å²	18	23.2 Å²	23.2	9%	0.094	11%	0.112	C	C	.	.	H	α-helix	trans	-63.6	-44.4	174	-69.6	169.1	0	0	0	111.5	F153 C199 E200 M201 Y207 L345 W359 L362	F153-L203 HydrophobicContact CD2-CB 4.12Å; F153-L203 HydrophobicContact CD2-CD1 4.23Å; F153-L203 HydrophobicContact CE2-CB 4.45Å; F153-L203 HydrophobicContact CE2-CD1 3.71Å; C199-L203 PolarHBondContact O-N 3.21Å; E200-L203 PolarHBondContact O-N 2.8Å; M201-L203 VanDerWaalsContact C-N 3.34Å; M201-L203 PolarHBondContact O-N 3.38Å; L203-Y207 WeakPolarHBondContact O-CB 3.36Å; L203-Y207 PolarHBondContact O-N 3.12Å; L203-Y207 VanDerWaalsContact O-N 3.07Å; L203-L345 HydrophobicContact CD2-CD1 3.88Å; L203-L345 HydrophobicContact CD2-CD2 3.83Å; L203-L345 HydrophobicContact CG-CD1 4.43Å; L203-W359 HydrophobicContact CD1-CE3 4.47Å; L203-W359 HydrophobicContact CD2-CE3 4.17Å; L203-W359 HydrophobicContact CG-CE3 4.24Å; L203-W359 HydrophobicContact CG-CZ3 4.34Å; L203-L362 HydrophobicContact CD1-CB 3.96Å
204	A	98.8	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62	-43.5	176.8	0	0	0	0	0	113.1	F153 L154 E200 M201 L208	F153-A204 HydrophobicContact CB-CB 4.12Å; L154-A204 HydrophobicContact CD2-CB 3.99Å; E200-A204 PolarHBondContact O-N 3.39Å; E200-A204 VanDerWaalsContact O-N 3.07Å; M201-A204 HydrophobicContact CE-CB 4.46Å; M201-A204 PolarHBondContact O-N 2.95Å; A204-L208 WeakPolarHBondContact O-CG 3.48Å; A204-L208 PolarHBondContact O-N 2.94Å
205	L	98.6	Very high	98.1	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.031	11%	0.111	C	C	.	.	H	α-helix	trans	-72.4	-34.4	-179.5	-68.5	-175.7	0	0	0	113	M201 L208 R209 V218 L233 D278 W279 V282	M201-L205 WeakPolarHBondContact O-CB 3.28Å; M201-L205 VanDerWaalsContact O-CG 3.29Å; M201-L205 WeakPolarHBondContact O-CG 3.41Å; M201-L205 PolarHBondContact O-N 2.98Å; L205-L208 HydrophobicContact CD2-CD1 4.39Å; L205-L208 PolarHBondContact O-N 2.94Å; L205-R209 WeakPolarHBondContact O-CB 3.2Å; L205-R209 PolarHBondContact O-N 2.79Å; L205-V218 HydrophobicContact CD2-CG2 4.3Å; L205-L233 HydrophobicContact CD2-CD2 4.26Å; L205-D278 HydrophobicContact CD1-CB 3.72Å; L205-D278 HydrophobicContact CD2-CB 3.63Å; L205-D278 HydrophobicContact CG-CB 4.31Å; L205-W279 HydrophobicContact CB-CZ2 4.02Å; L205-W279 HydrophobicContact CD1-CD2 4.17Å; L205-W279 HydrophobicContact CD1-CG 4.26Å; L205-V282 HydrophobicContact CD1-CG2 3.72Å
206	D	98.2	Very high	98.1	Very high	51 Å²	51	23.3 Å²	23.3	27%	0.273	11%	0.112	S	C	.	.	H	α-helix	trans	-68.1	-40.1	174.8	-158.4	78	0	0	0	111.2	A202 R209 S210 L345	A202-D206 WeakPolarHBondContact O-CB 3.4Å; A202-D206 PolarHBondContact O-N 3.07Å; D206-R209 WeakPolarHBondContact O-CB 3.48Å; D206-R209 PolarHBondContact O-N 2.62Å; D206-S210 PolarHBondContact O-N 3Å; D206-L345 HydrophobicContact CB-CB 3.73Å; D206-L345 HydrophobicContact CB-CD2 4.48Å; D206-L345 VanDerWaalsContact OD1-CB 3.29Å; D206-L345 WeakPolarHBondContact OD1-CB 3.41Å; D206-L345 PolarHBondContact OD1-N 2.78Å
207	Y	98.6	Very high	98.1	Very high	47 Å²	47	23.2 Å²	23.2	18%	0.184	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-49.4	169.4	171.5	-101.4	0	0	0	112.1	I149 E150 H151 L154 L203 R209 S210 Q211	I149-Y207 WeakPolarHBondContact CA-OH 3.45Å; I149-Y207 HydrophobicContact CB-CE1 4.03Å; I149-Y207 HydrophobicContact CG2-CE1 4.32Å; E150-Y207 PolarHBondContact N-OH 3.42Å; E150-Y207 PolarHBondContact O-OH 3.48Å; H151-Y207 HydrophobicContact CB-CD1 3.54Å; H151-Y207 HydrophobicContact CB-CE1 3.72Å; H151-Y207 HydrophobicContact CB-CG 4.01Å; H151-Y207 AromaticContact CD2-CG 3.87Å; H151-Y207 AromaticContact CG-CD1 3.89Å; H151-Y207 AromaticContact CG-CG 3.97Å; L154-Y207 HydrophobicContact CD1-CD1 3.94Å; L154-Y207 HydrophobicContact CD1-CE1 3.9Å; L203-Y207 WeakPolarHBondContact O-CB 3.36Å; L203-Y207 PolarHBondContact O-N 3.12Å; L203-Y207 VanDerWaalsContact O-N 3.07Å; Y207-R209 VanDerWaalsContact C-N 3.28Å; Y207-R209 PolarHBondContact O-N 3.36Å; Y207-S210 WeakPolarHBondContact O-CA 3.2Å; Y207-S210 WeakPolarHBondContact O-CB 3.49Å; Y207-S210 PolarHBondContact O-N 2.98Å; Y207-S210 PolarHBondContact O-OG 3.15Å; Y207-Q211 HydrophobicContact CD2-CG 4.49Å; Y207-Q211 HydrophobicContact CE1-CG 4.07Å; Y207-Q211 HydrophobicContact CE2-CG 3.89Å; Y207-Q211 PolarHBondContact O-N 3.32Å; Y207-Q211 VanDerWaalsContact O-N 3.15Å
208	L	98.3	Very high	98.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-60.4	-37.6	177.4	-72.2	179.7	0	0	0	112.5	I149 L154 A204 L205 S210 Q211 H212 I213 H215 L233 F236	I149-L208 HydrophobicContact CD1-CD2 4.15Å; I149-L208 HydrophobicContact CG2-CD2 4.41Å; L154-L208 HydrophobicContact CD1-CD2 3.89Å; L154-L208 HydrophobicContact CD1-CG 4.39Å; L154-L208 HydrophobicContact CD2-CD1 4.42Å; A204-L208 WeakPolarHBondContact O-CG 3.48Å; A204-L208 PolarHBondContact O-N 2.94Å; L205-L208 HydrophobicContact CD2-CD1 4.39Å; L205-L208 PolarHBondContact O-N 2.94Å; L208-S210 VanDerWaalsContact C-N 3.33Å; L208-S210 PolarHBondContact O-N 3.33Å; L208-Q211 CarbonylContact O-C 3.49Å; L208-Q211 WeakPolarHBondContact O-CA 3.22Å; L208-Q211 PolarHBondContact O-N 3.08Å; L208-Q211 VanDerWaalsContact O-N 3.08Å; L208-H212 PolarHBondContact O-N 3.47Å; L208-I213 CarbonylContact C-O 3.58Å; L208-I213 HydrophobicContact CB-CB 4.36Å; L208-I213 HydrophobicContact CD2-CB 4.28Å; L208-I213 HydrophobicContact CD2-CD1 4.33Å; L208-I213 HydrophobicContact CD2-CG2 4.12Å; L208-I213 PolarHBondContact O-N 3.45Å; L208-H215 HydrophobicContact CD1-CB 4.43Å; L208-L233 HydrophobicContact CD1-CD2 3.92Å; L208-F236 HydrophobicContact CD1-CE1 3.83Å; L208-F236 HydrophobicContact CD1-CZ 4.05Å; L208-F236 HydrophobicContact CD2-CE1 3.71Å; L208-F236 HydrophobicContact CD2-CZ 4.05Å; L208-F236 HydrophobicContact CG-CE1 4.45Å
209	R	96.6	Very high	98.1	Very high	102 Å²	102	24.5 Å²	24.5	39%	0.385	12%	0.117	S	C	.	.	H	α-helix	trans	-59.5	-41.9	171.5	179.3	-172.1	175.1	92.1	11.9	111.8	L205 D206 Y207 Q211 H212 F275	L205-R209 WeakPolarHBondContact O-CB 3.2Å; L205-R209 PolarHBondContact O-N 2.79Å; D206-R209 WeakPolarHBondContact O-CB 3.48Å; D206-R209 PolarHBondContact O-N 2.62Å; Y207-R209 VanDerWaalsContact C-N 3.28Å; Y207-R209 PolarHBondContact O-N 3.36Å; R209-Q211 PolarHBondContact O-N 3.3Å; R209-H212 PolarHBondContact O-N 3.42Å; R209-F275 HydrophobicContact CB-CD1 4.04Å; R209-F275 HydrophobicContact CB-CE1 4.43Å; R209-F275 HydrophobicContact CB-CG 4.33Å; R209-F275 HydrophobicContact CG-CB 4.5Å; R209-F275 HydrophobicContact CG-CD1 4.04Å; R209-F275 HydrophobicContact CG-CD2 4.1Å; R209-F275 HydrophobicContact CG-CE1 4.32Å; R209-F275 HydrophobicContact CG-CE2 4.37Å; R209-F275 HydrophobicContact CG-CG 3.94Å; R209-F275 HydrophobicContact CG-CZ 4.49Å
210	S	96.5	Very high	98.1	Very high	66 Å²	66	24.4 Å²	24.4	46%	0.462	12%	0.117	S	C	.	.	H	α-helix	trans	-62.9	-25.9	174.9	83	0	0	0	0	113.3	D206 Y207 L208 H212	D206-S210 PolarHBondContact O-N 3Å; Y207-S210 WeakPolarHBondContact O-CA 3.2Å; Y207-S210 WeakPolarHBondContact O-CB 3.49Å; Y207-S210 PolarHBondContact O-N 2.98Å; Y207-S210 PolarHBondContact O-OG 3.15Å; L208-S210 VanDerWaalsContact C-N 3.33Å; L208-S210 PolarHBondContact O-N 3.33Å; S210-H212 VanDerWaalsContact C-N 3.33Å
211	Q	97.3	Very high	97.9	Very high	76 Å²	76	27.3 Å²	27.3	36%	0.355	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	12.5	174.6	-55.6	-50.4	-64.6	0	0	112.5	I149 Y207 L208 R209 I213	I149-Q211 HydrophobicContact CG2-CB 4.39Å; I149-Q211 HydrophobicContact CG2-CG 4.28Å; Y207-Q211 HydrophobicContact CD2-CG 4.49Å; Y207-Q211 HydrophobicContact CE1-CG 4.07Å; Y207-Q211 HydrophobicContact CE2-CG 3.89Å; Y207-Q211 PolarHBondContact O-N 3.32Å; Y207-Q211 VanDerWaalsContact O-N 3.15Å; L208-Q211 CarbonylContact O-C 3.49Å; L208-Q211 WeakPolarHBondContact O-CA 3.22Å; L208-Q211 PolarHBondContact O-N 3.08Å; L208-Q211 VanDerWaalsContact O-N 3.08Å; R209-Q211 PolarHBondContact O-N 3.3Å; Q211-I213 HydrophobicContact CB-CD1 3.89Å; Q211-I213 HydrophobicContact CB-CG1 4.49Å; Q211-I213 PolarHBondContact O-N 2.93Å; Q211-I213 VanDerWaalsContact O-N 3.17Å
212	H	97.1	Very high	97.9	Very high	67 Å²	67	27.8 Å²	27.8	31%	0.31	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	21.9	-178.8	-59	-83.2	0	0	0	115	L208 R209 S210 I241 I242 D244	L208-H212 PolarHBondContact O-N 3.47Å; R209-H212 PolarHBondContact O-N 3.42Å; S210-H212 VanDerWaalsContact C-N 3.33Å; H212-I241 HydrophobicContact CB-CG2 4.15Å; H212-I241 CarbonylContact O-C 3.54Å; H212-I241 VanDerWaalsContact O-CA 3.32Å; H212-I241 WeakPolarHBondContact O-CA 3.47Å; H212-I242 WeakPolarHBondContact CB-O 3.39Å; H212-I242 PolarHBondContact O-N 3.04Å; H212-D244 IonicContact CE1-OD1 2.83Å; H212-D244 PolarHBondContact CE1-OD1 3.03Å; H212-D244 VanDerWaalsContact CE1-OD1 3.24Å; H212-D244 IonicContact CE1-OD2 3.23Å; H212-D244 PolarHBondContact CE1-OD2 3.34Å; H212-D244 IonicContact ND1-OD1 2.8Å
213	I	97.9	Very high	97.8	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.036	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.1	-177.3	-69.4	154.6	0	0	0	111.8	I145 I149 L208 Q211 F236 A239 T240 I241 F275	I145-I213 HydrophobicContact CG2-CD1 3.84Å; I145-I213 HydrophobicContact CG2-CG1 4.49Å; I149-I213 HydrophobicContact CG2-CD1 3.53Å; L208-I213 CarbonylContact C-O 3.58Å; L208-I213 HydrophobicContact CB-CB 4.36Å; L208-I213 HydrophobicContact CD2-CB 4.28Å; L208-I213 HydrophobicContact CD2-CD1 4.33Å; L208-I213 HydrophobicContact CD2-CG2 4.12Å; L208-I213 PolarHBondContact O-N 3.45Å; Q211-I213 HydrophobicContact CB-CD1 3.89Å; Q211-I213 HydrophobicContact CB-CG1 4.49Å; Q211-I213 PolarHBondContact O-N 2.93Å; Q211-I213 VanDerWaalsContact O-N 3.17Å; I213-F236 HydrophobicContact CG2-CE1 4.39Å; I213-A239 HydrophobicContact CG2-CB 4.28Å; I213-T240 WeakPolarHBondContact CA-O 3.41Å; I213-I241 HydrophobicContact CG1-CG1 3.99Å; I213-F275 WeakPolarHBondContact O-CD1 3.36Å; I213-F275 WeakPolarHBondContact O-CE1 3.47Å
214	I	98	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.2	163.7	-50.6	-175.5	0	0	0	108.5	R216 A239 T240 I242 F275 V277 D278	I214-R216 HydrophobicContact CB-CG 4.2Å; I214-R216 HydrophobicContact CG2-CG 3.56Å; I214-A239 CarbonylContact O-C 3.6Å; I214-A239 VanDerWaalsContact O-CA 3.26Å; I214-A239 WeakPolarHBondContact O-CA 3.37Å; I214-T240 HydrophobicContact CB-CG2 4.25Å; I214-T240 PolarHBondContact N-O 3.14Å; I214-T240 PolarHBondContact O-N 3.07Å; I214-I242 HydrophobicContact CD1-CD1 3.37Å; I214-I242 HydrophobicContact CD1-CG1 4.01Å; I214-I242 HydrophobicContact CG1-CD1 4.19Å; I214-I242 HydrophobicContact CG1-CG1 4.32Å; I214-F275 HydrophobicContact CD1-CD1 4.37Å; I214-F275 HydrophobicContact CG1-CD1 3.63Å; I214-F275 HydrophobicContact CG1-CE1 3.84Å; I214-F275 HydrophobicContact CG1-CG 4.3Å; I214-V277 HydrophobicContact CG2-CG2 3.56Å; I214-D278 VanDerWaalsContact CG2-OD2 3.25Å; I214-D278 WeakPolarHBondContact CG2-OD2 3.43Å
215	H	98.4	Very high	97.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.			trans	-76.7	-42.8	-177.9	-168.9	-90.6	0	0	0	112.6	L208 D217 V218 L233 T234 D235 F236 D278	L208-H215 HydrophobicContact CD1-CB 4.43Å; H215-D217 PolarHBondContact ND1-N 3.28Å; H215-D217 PolarHBondContact O-N 2.89Å; H215-V218 HydrophobicContact CB-CG2 4.09Å; H215-V218 PolarHBondContact ND1-N 2.92Å; H215-L233 HydrophobicContact CB-CD2 4.33Å; H215-T234 PolarHBondContact CE1-O 2.97Å; H215-T234 PolarHBondContact NE2-O 3.06Å; H215-D235 PolarHBondContact CE1-O 3.31Å; H215-D235 VanDerWaalsContact CE1-O 3.28Å; H215-D235 PolarHBondContact NE2-O 3.28Å; H215-D235 VanDerWaalsContact NE2-O 3.12Å; H215-F236 AromaticContact CD2-CD1 3.86Å; H215-F236 AromaticContact CD2-CE1 3.71Å; H215-F236 AromaticContact CD2-CZ 3.94Å; H215-D278 PolarHBondContact N-OD2 2.88Å
216	R	98.1	Very high	97.3	Very high	27 Å²	27	29.1 Å²	29.1	10%	0.102	14%	0.142	C	C	.	.	S	Bend	trans	65.3	-8.6	178.9	-54	-169	-68.1	-168.8	-6.3	117.2	I214 I238 G253 Y273 D278	I214-R216 HydrophobicContact CB-CG 4.2Å; I214-R216 HydrophobicContact CG2-CG 3.56Å; R216-I238 HydrophobicContact CB-CD1 4.1Å; R216-I238 HydrophobicContact CB-CG1 4.44Å; R216-I238 PolarHBondContact NE-O 3.42Å; R216-I238 PolarHBondContact NH2-O 3.34Å; R216-G253 WeakPolarHBondContact O-CA 3.27Å; R216-Y273 VanDerWaalsContact CD-OH 3.28Å; R216-Y273 WeakPolarHBondContact CD-OH 3.47Å; R216-Y273 HydrophobicContact CG-CE2 4.32Å; R216-Y273 PolarHBondContact NH1-OH 3.38Å; R216-Y273 VanDerWaalsContact NH1-OH 3.12Å; R216-D278 WeakPolarHBondContact CA-OD1 3.48Å; R216-D278 PolarHBondContact N-OD1 3.38Å
217	D	97.6	Very high	96.9	Very high	14 Å²	14	31.2 Å²	31.2	8%	0.075	15%	0.15	C	C	.	.			trans	-131.8	37.3	179.5	-145.8	32.1	0	0	0	114.7	H215 K219 N222 I238 T254	H215-D217 PolarHBondContact ND1-N 3.28Å; H215-D217 PolarHBondContact O-N 2.89Å; D217-K219 PolarHBondContact O-N 3.44Å; D217-K219 IonicContact OD1-NZ 2.88Å; D217-K219 IonicContact OD2-NZ 3.73Å; D217-K219 PolarHBondContact OD2-NZ 2.84Å; D217-N222 PolarHBondContact O-ND2 3.48Å; D217-N222 PolarHBondContact OD2-ND2 3.35Å; D217-N222 VanDerWaalsContact OD2-ND2 3.08Å; D217-I238 HydrophobicContact CB-CD1 3.83Å; D217-I238 HydrophobicContact CB-CG1 3.9Å; D217-T254 VanDerWaalsContact OD1-CB 3.23Å; D217-T254 WeakPolarHBondContact OD1-CB 3.47Å; D217-T254 PolarHBondContact OD1-N 3.08Å; D217-T254 PolarHBondContact OD1-OG1 2.92Å
218	V	98.7	Very high	96.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	16%	0.162	C	C	.	.			trans	-68.5	114.7	174.7	-177.4	0	0	0	0	109.9	L205 H215 I223 L233 D278 S281 V282	L205-V218 HydrophobicContact CD2-CG2 4.3Å; H215-V218 HydrophobicContact CB-CG2 4.09Å; H215-V218 PolarHBondContact ND1-N 2.92Å; V218-I223 HydrophobicContact CG1-CD1 4.39Å; V218-L233 HydrophobicContact CG1-CD1 4.5Å; V218-L233 HydrophobicContact CG2-CD1 4.09Å; V218-L233 HydrophobicContact CG2-CD2 4.34Å; V218-D278 HydrophobicContact CG2-CB 4.1Å; V218-S281 WeakPolarHBondContact O-CB 3.38Å; V218-V282 HydrophobicContact CG1-CG2 3.89Å
219	K	98.3	Very high	96.4	Very high	28 Å²	28	33.4 Å²	33.4	12%	0.122	16%	0.162	C	C	.	.	S	Bend	trans	-160.2	162.3	-177.6	70.3	-161.2	-170	-157.2	0	110.3	D217 D221 N222 I223 T254 Y257	D217-K219 PolarHBondContact O-N 3.44Å; D217-K219 IonicContact OD1-NZ 2.88Å; D217-K219 IonicContact OD2-NZ 3.73Å; D217-K219 PolarHBondContact OD2-NZ 2.84Å; K219-D221 HydrophobicContact CD-CB 4.42Å; K219-D221 HydrophobicContact CG-CB 4.05Å; K219-D221 PolarHBondContact O-N 3.21Å; K219-N222 WeakPolarHBondContact CE-OD1 3.41Å; K219-N222 HydrophobicContact CG-CB 4.17Å; K219-N222 PolarHBondContact O-N 3.48Å; K219-I223 PolarHBondContact O-N 3.05Å; K219-T254 HydrophobicContact CD-CG2 4.24Å; K219-T254 PolarHBondContact NZ-OG1 3.13Å; K219-Y257 HydrophobicContact CB-CD1 3.96Å; K219-Y257 HydrophobicContact CB-CD2 3.73Å; K219-Y257 HydrophobicContact CB-CE1 4.09Å; K219-Y257 HydrophobicContact CB-CE2 3.84Å; K219-Y257 HydrophobicContact CB-CG 3.82Å; K219-Y257 HydrophobicContact CD-CD2 4.48Å
220	P	98	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-53.4	-32.5	-178.1	-25.7	32	0	0	0	114.9	L179 R180 L183 N222 I223 Y257 M285	L179-P220 HydrophobicContact CB-CB 3.94Å; L179-P220 WeakPolarHBondContact CB-O 3.45Å; L179-P220 PolarHBondContact N-O 3.24Å; R180-P220 HydrophobicContact CB-CB 4.14Å; R180-P220 PolarHBondContact N-O 3.39Å; R180-P220 VanDerWaalsContact N-O 3.11Å; L183-P220 HydrophobicContact CD1-CB 3.86Å; L183-P220 HydrophobicContact CD1-CG 3.79Å; P220-N222 VanDerWaalsContact C-N 3.25Å; P220-N222 PolarHBondContact O-N 3.5Å; P220-I223 PolarHBondContact O-N 3.24Å; P220-Y257 HydrophobicContact CG-CE1 4.45Å; P220-M285 HydrophobicContact CG-CG 4.02Å
221	D	95.4	Very high	96.5	Very high	61 Å²	61	25.9 Å²	25.9	33%	0.326	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-67.7	-24.6	179.4	-41.2	-113.9	0	0	0	112.7	R180 K219	R180-D221 HydrophobicContact CB-CB 4.11Å; R180-D221 WeakPolarHBondContact CG-OD1 3.34Å; R180-D221 IonicContact CZ-OD1 3.22Å; R180-D221 IonicContact CZ-OD2 2.64Å; R180-D221 IonicContact NE-OD1 3.11Å; R180-D221 PolarHBondContact NE-OD1 3.37Å; R180-D221 IonicContact NE-OD2 2.68Å; R180-D221 PolarHBondContact NE-OD2 2.89Å; R180-D221 IonicContact NH2-OD1 2.71Å; R180-D221 IonicContact NH2-OD2 2.92Å; R180-D221 PolarHBondContact NH2-OD2 3.02Å; K219-D221 HydrophobicContact CD-CB 4.42Å; K219-D221 HydrophobicContact CG-CB 4.05Å; K219-D221 PolarHBondContact O-N 3.21Å
222	N	97.4	Very high	96.6	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.059	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-107.8	9.2	-177.5	-66.8	0.6	0	0	0	112.6	D217 K219 P220 T234	D217-N222 PolarHBondContact O-ND2 3.48Å; D217-N222 PolarHBondContact OD2-ND2 3.35Å; D217-N222 VanDerWaalsContact OD2-ND2 3.08Å; K219-N222 WeakPolarHBondContact CE-OD1 3.41Å; K219-N222 HydrophobicContact CG-CB 4.17Å; K219-N222 PolarHBondContact O-N 3.48Å; P220-N222 VanDerWaalsContact C-N 3.25Å; P220-N222 PolarHBondContact O-N 3.5Å; N222-T234 WeakPolarHBondContact O-CG2 3.43Å; N222-T234 PolarHBondContact O-N 3.22Å
223	I	98.2	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	114.4	170.9	-56.8	-46.5	0	0	0	109.2	D178 L179 M201 V218 K219 P220 A231 H232 L233 M285	D178-I223 CarbonylContact C-O 3.5Å; D178-I223 VanDerWaalsContact CA-O 3.27Å; D178-I223 WeakPolarHBondContact CA-O 3.37Å; L179-I223 HydrophobicContact CD1-CB 3.79Å; L179-I223 HydrophobicContact CD1-CG1 4.43Å; L179-I223 HydrophobicContact CD1-CG2 3.54Å; L179-I223 HydrophobicContact CG-CB 4.09Å; L179-I223 HydrophobicContact CG-CG2 3.95Å; L179-I223 PolarHBondContact N-O 3.49Å; M201-I223 HydrophobicContact SD-CD1 3.46Å; M201-I223 WeakPolarHBondContact SD-CD1 3.27Å; M201-I223 HydrophobicContact SD-CG1 4.37Å; V218-I223 HydrophobicContact CG1-CD1 4.39Å; K219-I223 PolarHBondContact O-N 3.05Å; P220-I223 PolarHBondContact O-N 3.24Å; I223-A231 HydrophobicContact CG2-CB 3.6Å; I223-H232 CarbonylContact C-O 3.58Å; I223-H232 WeakPolarHBondContact CA-O 3.46Å; I223-L233 HydrophobicContact CD1-CB 4.19Å; I223-L233 HydrophobicContact CD1-CD1 3.5Å; I223-L233 HydrophobicContact CD1-CG 4.47Å; I223-M285 HydrophobicContact CB-SD 4.48Å; I223-M285 HydrophobicContact CD1-SD 4.44Å; I223-M285 HydrophobicContact CG1-CE 4.43Å; I223-M285 HydrophobicContact CG1-SD 3.48Å; I223-M285 WeakPolarHBondContact CG1-SD 3.28Å
224	L	96.4	Very high	96.6	Very high	39 Å²	39	20.6 Å²	20.6	20%	0.204	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	145.3	178.3	-58.5	-171.2	0	0	0	111.4	V155 L174 D178 H232 T234	V155-L224 HydrophobicContact CG2-CD1 4.2Å; L174-L224 HydrophobicContact CB-CB 3.98Å; L174-L224 HydrophobicContact CB-CD1 4.22Å; L174-L224 HydrophobicContact CD1-CB 3.63Å; L174-L224 HydrophobicContact CD1-CD1 4.3Å; L174-L224 HydrophobicContact CG-CB 4.45Å; D178-L224 HydrophobicContact CB-CD2 3.67Å; L224-H232 PolarHBondContact N-O 3.39Å; L224-H232 PolarHBondContact O-N 3.48Å; L224-T234 HydrophobicContact CD1-CG2 3.99Å; L224-T234 HydrophobicContact CD2-CG2 4.39Å; L224-T234 HydrophobicContact CG-CG2 3.77Å
225	L	96.1	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	140.4	173.9	-60.3	-175.3	0	0	0	111.8	G176 G177 L179 Y197 H230 A231 F371 P373	G176-L225 WeakPolarHBondContact CA-O 3.16Å; G176-L225 PolarHBondContact N-O 2.95Å; G177-L225 PolarHBondContact O-N 2.95Å; L179-L225 HydrophobicContact CD2-CD1 3.83Å; L179-L225 HydrophobicContact CD2-CD2 3.92Å; L179-L225 HydrophobicContact CD2-CG 3.95Å; L179-L225 HydrophobicContact CG-CD2 4.44Å; Y197-L225 HydrophobicContact CE1-CD2 4.05Å; L225-H230 WeakPolarHBondContact CA-O 3.46Å; L225-A231 HydrophobicContact CD2-CB 4.25Å; L225-F371 HydrophobicContact CD1-CD1 3.88Å; L225-F371 HydrophobicContact CD1-CE1 3.75Å; L225-P373 HydrophobicContact CB-CG 3.91Å; L225-P373 HydrophobicContact CD1-CG 3.74Å
226	D	93	Very high	96.3	Very high	14 Å²	14	23 Å²	23	8%	0.075	11%	0.114	C	C	.	.			trans	-79.9	-171.5	168.8	68.3	14.4	0	0	0	112.9	L174 Q228 G229 H230 H232 K365	L174-D226 HydrophobicContact CD2-CB 3.9Å; D226-Q228 PolarHBondContact O-N 3.39Å; D226-Q228 WeakPolarHBondContact OD1-CA 3.45Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.46Å; D226-Q228 PolarHBondContact OD1-N 2.85Å; D226-G229 PolarHBondContact OD1-N 3.38Å; D226-H230 PolarHBondContact N-O 3.02Å; D226-H230 IonicContact OD1-CD2 3.58Å; D226-H230 PolarHBondContact OD1-N 2.79Å; D226-H230 WeakPolarHBondContact OD2-CB 3.48Å; D226-H230 IonicContact OD2-CD2 3.81Å; D226-H230 PolarHBondContact OD2-CD2 3.17Å; D226-H230 IonicContact OD2-CG 3.83Å; D226-H232 IonicContact OD2-CE1 2.94Å; D226-H232 PolarHBondContact OD2-CE1 3.47Å; D226-H232 IonicContact OD2-NE2 3.19Å; D226-K365 IonicContact OD2-NZ 2.75Å; D226-K365 PolarHBondContact OD2-NZ 3.39Å
227	E	89.5	Confident	96	Very high	94 Å²	94	23.7 Å²	23.7	44%	0.439	12%	0.119	S	C	.	.	S	Bend	trans	-73.3	-12	178.9	-66.3	-164.7	141.8	0	0	113.6	L175 K375	L175-E227 HydrophobicContact CB-CG 4.17Å; L175-E227 HydrophobicContact CD1-CG 4.1Å; L175-E227 VanDerWaalsContact CD1-OE1 3.31Å; L175-E227 WeakPolarHBondContact CD1-OE1 3.39Å; E227-K375 WeakPolarHBondContact O-CE 3.42Å
228	Q	91.6	Very high	95.8	Very high	95 Å²	95	25.5 Å²	25.5	44%	0.444	13%	0.129	S	C	.	.	S	Bend	trans	-100.1	-23.6	-179.4	-67.1	69.8	19.8	0	0	110.8	D226	D226-Q228 PolarHBondContact O-N 3.39Å; D226-Q228 WeakPolarHBondContact OD1-CA 3.45Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.46Å; D226-Q228 PolarHBondContact OD1-N 2.85Å
229	G	94.1	Very high	95.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.			trans	106	11.1	177.6	0	0	0	0	0	114.6	Y197 D226	Y197-G229 VanDerWaalsContact CE1-O 3.3Å; Y197-G229 WeakPolarHBondContact CE1-O 3.27Å; Y197-G229 PolarHBondContact OH-O 3.02Å; D226-G229 PolarHBondContact OD1-N 3.38Å
230	H	97.5	Very high	95.6	Very high	9 Å²	9	25.6 Å²	25.6	4%	0.042	13%	0.132	C	C	.	.			trans	-76.3	140	177.2	-61.5	-77.7	0	0	0	111.5	F153 E200 L225 D226 H232 K365 V367	F153-H230 HydrophobicContact CE1-CB 4.24Å; E200-H230 WeakPolarHBondContact OE1-CB 3.46Å; E200-H230 IonicContact OE1-CE1 2.66Å; E200-H230 IonicContact OE1-CG 3.84Å; E200-H230 IonicContact OE1-ND1 3.73Å; E200-H230 PolarHBondContact OE1-ND1 3.28Å; L225-H230 WeakPolarHBondContact CA-O 3.46Å; D226-H230 PolarHBondContact N-O 3.02Å; D226-H230 IonicContact OD1-CD2 3.58Å; D226-H230 PolarHBondContact OD1-N 2.79Å; D226-H230 WeakPolarHBondContact OD2-CB 3.48Å; D226-H230 IonicContact OD2-CD2 3.81Å; D226-H230 PolarHBondContact OD2-CD2 3.17Å; D226-H230 IonicContact OD2-CG 3.83Å; H230-H232 PolarHBondContact O-CE1 3.45Å; H230-H232 PolarHBondContact O-ND1 2.79Å; H230-K365 HydrophobicContact CB-CD 4.48Å; H230-V367 PolarHBondContact CE1-O 2.96Å; H230-V367 VanDerWaalsContact CE1-O 3.32Å
231	A	98.1	Very high	95.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	133.5	179.5	0	0	0	0	0	112.4	F153 Y197 E200 M201 I223 L225	F153-A231 WeakPolarHBondContact CD1-O 3.44Å; Y197-A231 HydrophobicContact CD1-CB 3.72Å; Y197-A231 HydrophobicContact CE1-CB 4.25Å; Y197-A231 HydrophobicContact CG-CB 4.15Å; E200-A231 WeakPolarHBondContact OE2-CB 3.07Å; E200-A231 PolarHBondContact OE2-N 2.95Å; M201-A231 HydrophobicContact CE-CB 3.96Å; M201-A231 VanDerWaalsContact CE-O 3.28Å; M201-A231 WeakPolarHBondContact CE-O 3.23Å; I223-A231 HydrophobicContact CG2-CB 3.6Å; L225-A231 HydrophobicContact CD2-CB 4.25Å
232	H	98.6	Very high	95.4	Very high	8 Å²	8	27.2 Å²	27.2	4%	0.037	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.5	176.1	-56.3	64.9	0	0	0	110.4	V152 F153 V155 L174 I223 L224 D226 H230 K365	V152-H232 PolarHBondContact O-CD2 3.07Å; V152-H232 PolarHBondContact O-NE2 2.83Å; F153-H232 VanDerWaalsContact O-CA 3.3Å; F153-H232 WeakPolarHBondContact O-CA 3.37Å; V155-H232 HydrophobicContact CG2-CB 4.13Å; L174-H232 HydrophobicContact CD1-CB 3.44Å; L174-H232 VanDerWaalsContact CD1-CB 3.44Å; L174-H232 VanDerWaalsContact CD1-CG 3.42Å; I223-H232 CarbonylContact C-O 3.58Å; I223-H232 WeakPolarHBondContact CA-O 3.46Å; L224-H232 PolarHBondContact N-O 3.39Å; L224-H232 PolarHBondContact O-N 3.48Å; D226-H232 IonicContact OD2-CE1 2.94Å; D226-H232 PolarHBondContact OD2-CE1 3.47Å; D226-H232 IonicContact OD2-NE2 3.19Å; H230-H232 PolarHBondContact O-CE1 3.45Å; H230-H232 PolarHBondContact O-ND1 2.79Å; H232-K365 PolarHBondContact CE1-NZ 3.19Å; H232-K365 PolarHBondContact NE2-NZ 2.94Å
233	L	98.7	Very high	94.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.9	174.7	-177.3	62.3	0	0	0	110.5	F153 L154 V155 M201 L205 L208 H215 V218 I223	F153-L233 PolarHBondContact O-N 3.02Å; L154-L233 HydrophobicContact CD2-CB 3.77Å; L154-L233 HydrophobicContact CD2-CD2 4.17Å; L154-L233 HydrophobicContact CD2-CG 4.33Å; V155-L233 PolarHBondContact N-O 3.04Å; M201-L233 HydrophobicContact CE-CB 4.5Å; M201-L233 HydrophobicContact SD-CB 4.07Å; L205-L233 HydrophobicContact CD2-CD2 4.26Å; L208-L233 HydrophobicContact CD1-CD2 3.92Å; H215-L233 HydrophobicContact CB-CD2 4.33Å; V218-L233 HydrophobicContact CG1-CD1 4.5Å; V218-L233 HydrophobicContact CG2-CD1 4.09Å; V218-L233 HydrophobicContact CG2-CD2 4.34Å; I223-L233 HydrophobicContact CD1-CB 4.19Å; I223-L233 HydrophobicContact CD1-CD1 3.5Å; I223-L233 HydrophobicContact CD1-CG 4.47Å
234	T	96.8	Very high	94.2	Very high	32 Å²	32	39.9 Å²	39.9	20%	0.196	20%	0.201	C	C	.	.			trans	-139.3	175.3	177.8	-164.2	0	0	0	0	111	H215 N222 L224	H215-T234 PolarHBondContact CE1-O 2.97Å; H215-T234 PolarHBondContact NE2-O 3.06Å; N222-T234 WeakPolarHBondContact O-CG2 3.43Å; N222-T234 PolarHBondContact O-N 3.22Å; L224-T234 HydrophobicContact CD1-CG2 3.99Å; L224-T234 HydrophobicContact CD2-CG2 4.39Å; L224-T234 HydrophobicContact CG-CG2 3.77Å
235	D	93.5	Very high	93.6	Very high	48 Å²	48	42.1 Å²	42.1	26%	0.257	23%	0.233	S	C	.	.			trans	66.6	81	179	-163.4	-31.9	0	0	0	114.1	H215 N237	H215-D235 PolarHBondContact CE1-O 3.31Å; H215-D235 VanDerWaalsContact CE1-O 3.28Å; H215-D235 PolarHBondContact NE2-O 3.28Å; H215-D235 VanDerWaalsContact NE2-O 3.12Å; D235-N237 VanDerWaalsContact C-N 3.3Å; D235-N237 PolarHBondContact O-N 2.87Å; D235-N237 VanDerWaalsContact OD1-CB 3.22Å; D235-N237 WeakPolarHBondContact OD1-CB 3.46Å; D235-N237 PolarHBondContact OD1-N 2.82Å; D235-N237 PolarHBondContact OD1-ND2 3.5Å; D235-N237 PolarHBondContact OD2-ND2 2.92Å; D235-N237 VanDerWaalsContact OD2-ND2 3.16Å
236	F	96.2	Very high	93.3	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	26%	0.255	C	S	.	.			trans	-89.1	13.1	176.4	-72.2	-100.9	0	0	0	112.7	E142 I145 L146 I149 L154 L208 I213 H215 I238 A239	E142-F236 HydrophobicContact CG-CB 4.02Å; I145-F236 HydrophobicContact CG2-CB 4.38Å; I145-F236 HydrophobicContact CG2-CD1 3.73Å; I145-F236 HydrophobicContact CG2-CE1 4.36Å; I145-F236 HydrophobicContact CG2-CG 4.26Å; L146-F236 HydrophobicContact CD2-CD2 3.76Å; L146-F236 HydrophobicContact CD2-CE2 4.22Å; L146-F236 HydrophobicContact CD2-CG 4.3Å; I149-F236 HydrophobicContact CD1-CD1 4.23Å; I149-F236 HydrophobicContact CD1-CE1 3.69Å; I149-F236 HydrophobicContact CD1-CE2 4.09Å; I149-F236 HydrophobicContact CD1-CZ 3.61Å; L154-F236 HydrophobicContact CD1-CZ 4.2Å; L154-F236 HydrophobicContact CD2-CZ 4.01Å; L208-F236 HydrophobicContact CD1-CE1 3.83Å; L208-F236 HydrophobicContact CD1-CZ 4.05Å; L208-F236 HydrophobicContact CD2-CE1 3.71Å; L208-F236 HydrophobicContact CD2-CZ 4.05Å; L208-F236 HydrophobicContact CG-CE1 4.45Å; I213-F236 HydrophobicContact CG2-CE1 4.39Å; H215-F236 AromaticContact CD2-CD1 3.86Å; H215-F236 AromaticContact CD2-CE1 3.71Å; H215-F236 AromaticContact CD2-CZ 3.94Å; F236-I238 PolarHBondContact O-N 2.93Å; F236-A239 HydrophobicContact CB-CB 4Å; F236-A239 HydrophobicContact CD1-CB 3.77Å; F236-A239 HydrophobicContact CG-CB 4.36Å; F236-A239 WeakPolarHBondContact O-CB 3.41Å; F236-A239 PolarHBondContact O-N 2.87Å
237	N	92.1	Very high	93.3	Very high	40 Å²	40	51.4 Å²	51.4	21%	0.214	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-33.9	-175	-74.1	-57.7	0	0	0	112.8	K123 E142 D235	K123-N237 PolarHBondContact NZ-OD1 3.47Å; E142-N237 PolarHBondContact OE1-OD1 3.04Å; E142-N237 PolarHBondContact OE2-OD1 3.48Å; E142-N237 VanDerWaalsContact OE2-OD1 3.11Å; D235-N237 VanDerWaalsContact C-N 3.3Å; D235-N237 PolarHBondContact O-N 2.87Å; D235-N237 VanDerWaalsContact OD1-CB 3.22Å; D235-N237 WeakPolarHBondContact OD1-CB 3.46Å; D235-N237 PolarHBondContact OD1-N 2.82Å; D235-N237 PolarHBondContact OD1-ND2 3.5Å; D235-N237 PolarHBondContact OD2-ND2 2.92Å; D235-N237 VanDerWaalsContact OD2-ND2 3.16Å
238	I	94.5	Very high	93.6	Very high	53 Å²	53	47.6 Å²	47.6	27%	0.272	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	15.4	177.7	72.6	157.9	0	0	0	114.2	R216 D217 F236 A252	R216-I238 HydrophobicContact CB-CD1 4.1Å; R216-I238 HydrophobicContact CB-CG1 4.44Å; R216-I238 PolarHBondContact NE-O 3.42Å; R216-I238 PolarHBondContact NH2-O 3.34Å; D217-I238 HydrophobicContact CB-CD1 3.83Å; D217-I238 HydrophobicContact CB-CG1 3.9Å; F236-I238 PolarHBondContact O-N 2.93Å; I238-A252 HydrophobicContact CD1-CB 4.3Å
239	A	96.9	Very high	93.6	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.008	26%	0.261	C	S	.	.			trans	-63.8	162.1	173.7	0	0	0	0	0	111.4	I145 I213 I214 F236	I145-A239 HydrophobicContact CD1-CB 3.79Å; I213-A239 HydrophobicContact CG2-CB 4.28Å; I214-A239 CarbonylContact O-C 3.6Å; I214-A239 VanDerWaalsContact O-CA 3.26Å; I214-A239 WeakPolarHBondContact O-CA 3.37Å; F236-A239 HydrophobicContact CB-CB 4Å; F236-A239 HydrophobicContact CD1-CB 3.77Å; F236-A239 HydrophobicContact CG-CB 4.36Å; F236-A239 WeakPolarHBondContact O-CB 3.41Å; F236-A239 PolarHBondContact O-N 2.87Å
240	T	95.4	Very high	93.5	Very high	30 Å²	30	50 Å²	50	18%	0.184	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	142.2	175.3	-169.7	0	0	0	0	111.2	I213 I214 I242	I213-T240 WeakPolarHBondContact CA-O 3.41Å; I214-T240 HydrophobicContact CB-CG2 4.25Å; I214-T240 PolarHBondContact N-O 3.14Å; I214-T240 PolarHBondContact O-N 3.07Å; T240-I242 HydrophobicContact CG2-CD1 4.18Å; T240-I242 HydrophobicContact CG2-CG1 4Å
241	I	95.3	Very high	93.4	Very high	86 Å²	86	52.5 Å²	52.5	44%	0.441	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	137.7	168.7	-55.5	172.2	0	0	0	107.8	I145 H212 I213	I145-I241 HydrophobicContact CD1-CG1 4.38Å; I145-I241 HydrophobicContact CG1-CD1 4.22Å; I145-I241 HydrophobicContact CG1-CG1 4.19Å; H212-I241 HydrophobicContact CB-CG2 4.15Å; H212-I241 CarbonylContact O-C 3.54Å; H212-I241 VanDerWaalsContact O-CA 3.32Å; H212-I241 WeakPolarHBondContact O-CA 3.47Å; I213-I241 HydrophobicContact CG1-CG1 3.99Å
242	I	92.9	Very high	93.2	Very high	9 Å²	9	53.5 Å²	53.5	5%	0.046	30%	0.304	C	S	.	.			trans	-132.3	119.9	177.7	-57.3	-155.8	0	0	0	109.7	H212 I214 T240 E246 A248	H212-I242 WeakPolarHBondContact CB-O 3.39Å; H212-I242 PolarHBondContact O-N 3.04Å; I214-I242 HydrophobicContact CD1-CD1 3.37Å; I214-I242 HydrophobicContact CD1-CG1 4.01Å; I214-I242 HydrophobicContact CG1-CD1 4.19Å; I214-I242 HydrophobicContact CG1-CG1 4.32Å; T240-I242 HydrophobicContact CG2-CD1 4.18Å; T240-I242 HydrophobicContact CG2-CG1 4Å; I242-E246 VanDerWaalsContact CG2-C 3.49Å; I242-E246 HydrophobicContact CG2-CB 3.73Å; I242-E246 VanDerWaalsContact CG2-O 3.22Å; I242-E246 WeakPolarHBondContact CG2-O 3.26Å; I242-A248 HydrophobicContact CD1-CB 3.47Å; I242-A248 VanDerWaalsContact CD1-CB 3.47Å
243	K	87.9	Confident	93.1	Very high	140 Å²	140	54.3 Å²	54.3	61%	0.609	32%	0.315	S	S	*	.			trans	-70.3	160.2	179.4	-56.8	173.5	-173.1	163.3	0	111.3	G245 E246	K243-G245 PolarHBondContact O-N 3.27Å; K243-E246 HydrophobicContact CB-CG 4.17Å; K243-E246 WeakPolarHBondContact CB-OE2 3.45Å; K243-E246 WeakPolarHBondContact O-CB 3.3Å; K243-E246 PolarHBondContact O-N 2.88Å
244	D	84	Confident	93	Very high	137 Å²	137	56.6 Å²	56.6	73%	0.733	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	125.3	179	-69.4	-41.7	0	0	0	112.7	H212 E246	H212-D244 IonicContact CE1-OD1 2.83Å; H212-D244 PolarHBondContact CE1-OD1 3.03Å; H212-D244 VanDerWaalsContact CE1-OD1 3.24Å; H212-D244 IonicContact CE1-OD2 3.23Å; H212-D244 PolarHBondContact CE1-OD2 3.34Å; H212-D244 IonicContact ND1-OD1 2.8Å; D244-E246 VanDerWaalsContact C-N 3.28Å; D244-E246 PolarHBondContact O-N 2.95Å
245	G	82.2	Confident	93	Very high	85 Å²	85	57.4 Å²	57.4	88%	0.876	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-10.5	-177.5	0	0	0	0	0	115.4	K243	K243-G245 PolarHBondContact O-N 3.27Å
246	E	91.2	Very high	93.2	Very high	101 Å²	101	55.7 Å²	55.7	47%	0.472	32%	0.321	S	S	.	.			trans	-78.8	160.2	171.6	-65.3	-178.4	168.4	0	0	111.3	I242 K243 D244	I242-E246 VanDerWaalsContact CG2-C 3.49Å; I242-E246 HydrophobicContact CG2-CB 3.73Å; I242-E246 VanDerWaalsContact CG2-O 3.22Å; I242-E246 WeakPolarHBondContact CG2-O 3.26Å; K243-E246 HydrophobicContact CB-CG 4.17Å; K243-E246 WeakPolarHBondContact CB-OE2 3.45Å; K243-E246 WeakPolarHBondContact O-CB 3.3Å; K243-E246 PolarHBondContact O-N 2.88Å; D244-E246 VanDerWaalsContact C-N 3.28Å; D244-E246 PolarHBondContact O-N 2.95Å
247	R	93.5	Very high	93.3	Very high	109 Å²	109	55.8 Å²	55.8	41%	0.411	32%	0.321	S	S	.	.			trans	-140.1	142.3	175.5	-74.7	-173.7	158.1	-98	-19.2	110	T271 G272 Y273 E276	R247-T271 WeakPolarHBondContact CB-O 3.29Å; R247-T271 WeakPolarHBondContact CD-O 3.41Å; R247-G272 PolarHBondContact NH1-O 2.88Å; R247-Y273 WeakPolarHBondContact CA-O 3.36Å; R247-E276 IonicContact CZ-OE1 3.62Å; R247-E276 VanDerWaalsContact CZ-OE1 3.23Å; R247-E276 IonicContact NH1-OE1 3.86Å; R247-E276 PolarHBondContact NH1-OE1 3.11Å; R247-E276 IonicContact NH2-OE1 2.66Å; R247-E276 PolarHBondContact NH2-OE1 3.45Å; R247-E276 IonicContact NH2-OE2 3.32Å
248	A	93.9	Very high	93.6	Very high	14 Å²	14	54.1 Å²	54.1	12%	0.116	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-80.4	146.1	175.8	0	0	0	0	0	110.8	I242 G272 Y273	I242-A248 HydrophobicContact CD1-CB 3.47Å; I242-A248 VanDerWaalsContact CD1-CB 3.47Å; A248-G272 CarbonylContact O-C 3.46Å; A248-G272 WeakPolarHBondContact O-CA 3.27Å; A248-Y273 HydrophobicContact CB-CD1 4.46Å; A248-Y273 HydrophobicContact CB-CD2 4.15Å; A248-Y273 HydrophobicContact CB-CE1 3.94Å; A248-Y273 HydrophobicContact CB-CE2 3.61Å; A248-Y273 VanDerWaalsContact CB-CZ 3.49Å; A248-Y273 PolarHBondContact N-O 2.85Å; A248-Y273 WeakPolarHBondContact O-CD1 3.45Å; A248-Y273 WeakPolarHBondContact O-CE1 3.45Å; A248-Y273 PolarHBondContact O-N 3.14Å
249	T	92.9	Very high	93.8	Very high	90 Å²	90	51.6 Å²	51.6	55%	0.552	30%	0.299	S	S	*	.			trans	-122	-14.5	-179.6	54.6	0	0	0	0	113
250	A	92.3	Very high	93.8	Very high	54 Å²	54	51.6 Å²	51.6	45%	0.446	30%	0.299	S	S	.	.	S	Bend	trans	-68.7	133.3	-178.7	0	0	0	0	0	112	A252 Y273	A250-A252 PolarHBondContact O-N 3Å; A250-Y273 WeakPolarHBondContact O-CE1 3.34Å; A250-Y273 PolarHBondContact O-OH 3.03Å
251	L	94.6	Very high	93.8	Very high	62 Å²	62	51 Å²	51	33%	0.325	29%	0.294	S	S	.	.			trans	-75.5	89.4	173.1	-177.1	73.6	0	0	0	109.8	M258 I262 F263 F266 V304	L251-M258 HydrophobicContact CD1-CE 3.64Å; L251-M258 HydrophobicContact CG-CE 4.34Å; L251-I262 HydrophobicContact CD1-CG2 4.13Å; L251-F263 HydrophobicContact CD1-CD1 3.76Å; L251-F263 HydrophobicContact CD1-CE1 4Å; L251-F266 HydrophobicContact CB-CB 4.33Å; L251-F266 HydrophobicContact CB-CD2 3.55Å; L251-F266 HydrophobicContact CB-CE2 4.03Å; L251-F266 HydrophobicContact CB-CG 4.01Å; L251-F266 HydrophobicContact CD1-CB 4.28Å; L251-F266 HydrophobicContact CD1-CG 4.39Å; L251-F266 HydrophobicContact CD2-CD1 4.11Å; L251-F266 HydrophobicContact CD2-CD2 4.05Å; L251-F266 HydrophobicContact CD2-CE1 4.14Å; L251-F266 HydrophobicContact CD2-CE2 4.07Å; L251-F266 HydrophobicContact CD2-CG 4.05Å; L251-F266 HydrophobicContact CD2-CZ 4.11Å; L251-F266 HydrophobicContact CG-CD2 4.32Å; L251-F266 HydrophobicContact CG-CG 4.39Å; L251-V304 HydrophobicContact CD2-CG2 4.09Å
252	A	93.9	Very high	93.8	Very high	22 Å²	22	47 Å²	47	18%	0.182	27%	0.274	C	S	.	.			trans	-130.3	138	179.4	0	0	0	0	0	110.4	I238 A250 M258	I238-A252 HydrophobicContact CD1-CB 4.3Å; A250-A252 PolarHBondContact O-N 3Å; A252-M258 VanDerWaalsContact O-CE 3.27Å; A252-M258 WeakPolarHBondContact O-CE 3.13Å
253	G	95.8	Very high	94	Very high	25 Å²	25	46.6 Å²	46.6	26%	0.258	27%	0.272	S	S	.	.	S	Bend	trans	133.1	164.3	-178	0	0	0	0	0	113.7	R216 K255 M258	R216-G253 WeakPolarHBondContact O-CA 3.27Å; G253-K255 PolarHBondContact O-N 3.18Å; G253-M258 VanDerWaalsContact C-SD 3.51Å
254	T	96.6	Very high	94.2	Very high	47 Å²	47	42.8 Å²	42.8	29%	0.288	26%	0.256	S	S	.	.			trans	-79.2	101.2	174.3	-57.8	0	0	0	0	110	D217 K219 P256 Y257 M258	D217-T254 VanDerWaalsContact OD1-CB 3.23Å; D217-T254 WeakPolarHBondContact OD1-CB 3.47Å; D217-T254 PolarHBondContact OD1-N 3.08Å; D217-T254 PolarHBondContact OD1-OG1 2.92Å; K219-T254 HydrophobicContact CD-CG2 4.24Å; K219-T254 PolarHBondContact NZ-OG1 3.13Å; T254-P256 VanDerWaalsContact C-N 3.32Å; T254-P256 WeakPolarHBondContact O-CD 3.29Å; T254-Y257 HydrophobicContact CG2-CD2 3.92Å; T254-Y257 HydrophobicContact CG2-CE2 4.24Å; T254-Y257 PolarHBondContact O-N 3.42Å; T254-M258 PolarHBondContact O-N 2.86Å
255	K	97.4	Very high	94.5	Very high	49 Å²	49	36.6 Å²	36.6	21%	0.213	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-32.5	-45.8	-170.8	-70.2	-171	-176.5	170.5	0	117.6	G253 Y257 M258 F263 I298 S300 N302 L307	G253-K255 PolarHBondContact O-N 3.18Å; K255-Y257 PolarHBondContact O-N 3.35Å; K255-M258 VanDerWaalsContact CA-SD 3.58Å; K255-M258 HydrophobicContact CB-SD 4.44Å; K255-M258 HydrophobicContact CG-SD 4.18Å; K255-M258 PolarHBondContact O-N 3.06Å; K255-F263 HydrophobicContact CB-CZ 4.35Å; K255-F263 HydrophobicContact CG-CE1 4.28Å; K255-F263 HydrophobicContact CG-CZ 4.44Å; K255-I298 HydrophobicContact CB-CG2 4.1Å; K255-S300 WeakPolarHBondContact CE-O 3.39Å; K255-S300 PolarHBondContact NZ-O 3.4Å; K255-N302 PolarHBondContact NZ-O 3.06Å; K255-L307 HydrophobicContact CD-CD1 4.24Å
256	P	97.8	Very high	94.8	Very high	12 Å²	12	37.8 Å²	37.8	8%	0.078	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.6	-179	-20	34.4	0	0	0	115.8	T254 I298	T254-P256 VanDerWaalsContact C-N 3.32Å; T254-P256 WeakPolarHBondContact O-CD 3.29Å; P256-I298 HydrophobicContact CB-CB 4.07Å; P256-I298 HydrophobicContact CB-CG2 4.2Å; P256-I298 HydrophobicContact CG-CB 4.28Å; P256-I298 HydrophobicContact CG-CG2 4.05Å; P256-I298 VanDerWaalsContact CG-O 3.26Å; P256-I298 WeakPolarHBondContact CG-O 3.42Å
257	Y	98.6	Very high	94.6	Very high	5 Å²	5	35.7 Å²	35.7	2%	0.02	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-18.6	175.9	-58.3	-84.3	0	0	0	112.6	R180 K219 P220 T254 K255 W280 S281 V284 E288	R180-Y257 PolarHBondContact NH2-OH 3.02Å; K219-Y257 HydrophobicContact CB-CD1 3.96Å; K219-Y257 HydrophobicContact CB-CD2 3.73Å; K219-Y257 HydrophobicContact CB-CE1 4.09Å; K219-Y257 HydrophobicContact CB-CE2 3.84Å; K219-Y257 HydrophobicContact CB-CG 3.82Å; K219-Y257 HydrophobicContact CD-CD2 4.48Å; P220-Y257 HydrophobicContact CG-CE1 4.45Å; T254-Y257 HydrophobicContact CG2-CD2 3.92Å; T254-Y257 HydrophobicContact CG2-CE2 4.24Å; T254-Y257 PolarHBondContact O-N 3.42Å; K255-Y257 PolarHBondContact O-N 3.35Å; Y257-W280 PolarHBondContact O-NE1 3.09Å; Y257-S281 PolarHBondContact O-OG 3.26Å; Y257-S281 VanDerWaalsContact O-OG 3.1Å; Y257-V284 HydrophobicContact CD1-CB 3.99Å; Y257-V284 HydrophobicContact CD1-CG1 3.42Å; Y257-V284 VanDerWaalsContact CD1-CG1 3.42Å; Y257-V284 HydrophobicContact CE1-CG1 3.71Å; Y257-V284 HydrophobicContact CG-CG1 4.27Å; Y257-E288 VanDerWaalsContact CE1-OE2 3.28Å; Y257-E288 WeakPolarHBondContact CE1-OE2 3.46Å; Y257-E288 VanDerWaalsContact CZ-OE2 3.31Å; Y257-E288 VanDerWaalsContact OH-CD 3.3Å; Y257-E288 PolarHBondContact OH-OE1 2.87Å; Y257-E288 PolarHBondContact OH-OE2 3.49Å
258	M	98.4	Very high	94	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.025	21%	0.209	C	C	.	.	S	Bend	trans	-62.2	140.9	-177.2	-67.7	177.3	73.9	0	0	112.4	L251 A252 G253 T254 K255 I262 F263 W280	L251-M258 HydrophobicContact CD1-CE 3.64Å; L251-M258 HydrophobicContact CG-CE 4.34Å; A252-M258 VanDerWaalsContact O-CE 3.27Å; A252-M258 WeakPolarHBondContact O-CE 3.13Å; G253-M258 VanDerWaalsContact C-SD 3.51Å; T254-M258 PolarHBondContact O-N 2.86Å; K255-M258 VanDerWaalsContact CA-SD 3.58Å; K255-M258 HydrophobicContact CB-SD 4.44Å; K255-M258 HydrophobicContact CG-SD 4.18Å; K255-M258 PolarHBondContact O-N 3.06Å; M258-I262 HydrophobicContact CB-CD1 4.11Å; M258-I262 HydrophobicContact CE-CB 3.99Å; M258-I262 HydrophobicContact CE-CD1 3.94Å; M258-I262 HydrophobicContact CE-CG2 3.41Å; M258-I262 VanDerWaalsContact CE-CG2 3.41Å; M258-I262 HydrophobicContact CG-CD1 4.37Å; M258-F263 HydrophobicContact CB-CE1 4.42Å; M258-F263 HydrophobicContact CB-CE2 3.76Å; M258-F263 HydrophobicContact CB-CZ 3.57Å; M258-F263 HydrophobicContact CE-CE1 4.21Å; M258-F263 HydrophobicContact CE-CZ 4.45Å; M258-F263 HydrophobicContact CG-CZ 4.36Å; M258-F263 HydrophobicContact SD-CE1 4.08Å; M258-F263 HydrophobicContact SD-CZ 4.03Å; M258-W280 PolarHBondContact O-NE1 3.26Å
259	A	97.8	Very high	93.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.238	C	C	.	.			trans	-74.3	150.7	179.1	0	0	0	0	0	112.7	E261 I262 V277 W280	A259-E261 VanDerWaalsContact C-N 3.27Å; A259-E261 VanDerWaalsContact CB-CD 3.48Å; A259-E261 HydrophobicContact CB-CG 4.48Å; A259-E261 VanDerWaalsContact CB-OE1 3.29Å; A259-E261 WeakPolarHBondContact CB-OE1 3.34Å; A259-E261 WeakPolarHBondContact CB-OE2 3.37Å; A259-E261 PolarHBondContact O-N 2.84Å; A259-I262 HydrophobicContact CB-CG1 4.44Å; A259-I262 PolarHBondContact O-N 3.27Å; A259-I262 VanDerWaalsContact O-N 3.11Å; A259-V277 HydrophobicContact CB-CB 4.03Å; A259-V277 HydrophobicContact CB-CG1 3.96Å; A259-W280 VanDerWaalsContact CA-CD1 3.43Å; A259-W280 HydrophobicContact CB-CB 3.82Å; A259-W280 HydrophobicContact CB-CD2 4.32Å; A259-W280 HydrophobicContact CB-CG 3.68Å
260	P	96.6	Very high	91.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-55.3	-39.1	-176.2	-26.8	36	0	0	0	113.6	I262 F263 H264 W280 F311 V336	P260-I262 VanDerWaalsContact C-N 3.26Å; P260-I262 PolarHBondContact O-N 3.07Å; P260-F263 PolarHBondContact O-N 3.43Å; P260-F263 VanDerWaalsContact O-N 3.14Å; P260-H264 PolarHBondContact O-CD2 3.42Å; P260-H264 PolarHBondContact O-N 2.88Å; P260-W280 HydrophobicContact CG-CE3 4.5Å; P260-W280 HydrophobicContact CG-CH2 3.76Å; P260-W280 HydrophobicContact CG-CZ2 3.93Å; P260-W280 HydrophobicContact CG-CZ3 4.06Å; P260-F311 HydrophobicContact CB-CB 4.15Å; P260-F311 HydrophobicContact CB-CD2 3.81Å; P260-F311 HydrophobicContact CB-CE2 4.38Å; P260-F311 HydrophobicContact CB-CG 3.96Å; P260-F311 HydrophobicContact CG-CB 4.13Å; P260-F311 HydrophobicContact CG-CD1 3.91Å; P260-F311 HydrophobicContact CG-CD2 3.9Å; P260-F311 HydrophobicContact CG-CE1 4.28Å; P260-F311 HydrophobicContact CG-CE2 4.27Å; P260-F311 HydrophobicContact CG-CG 3.71Å; P260-F311 HydrophobicContact CG-CZ 4.44Å; P260-V336 HydrophobicContact CB-CG1 4.15Å; P260-V336 HydrophobicContact CG-CG1 4.08Å
261	E	96.1	Very high	91.4	Very high	18 Å²	18	39.8 Å²	39.8	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-25.2	-178.8	63.6	-85.5	-163.7	0	0	113.9	A259 F263 H264 S265 E276 V277 P338 R341	A259-E261 VanDerWaalsContact C-N 3.27Å; A259-E261 VanDerWaalsContact CB-CD 3.48Å; A259-E261 HydrophobicContact CB-CG 4.48Å; A259-E261 VanDerWaalsContact CB-OE1 3.29Å; A259-E261 WeakPolarHBondContact CB-OE1 3.34Å; A259-E261 WeakPolarHBondContact CB-OE2 3.37Å; A259-E261 PolarHBondContact O-N 2.84Å; E261-F263 VanDerWaalsContact C-N 3.35Å; E261-H264 PolarHBondContact O-N 3.11Å; E261-S265 VanDerWaalsContact O-CB 3.31Å; E261-S265 WeakPolarHBondContact O-CB 3.35Å; E261-S265 PolarHBondContact O-N 3.47Å; E261-E276 WeakPolarHBondContact OE1-CG 3.48Å; E261-V277 HydrophobicContact CG-CG1 4.21Å; E261-V277 WeakPolarHBondContact OE1-CG1 3.39Å; E261-P338 HydrophobicContact CB-CG 4.48Å; E261-P338 HydrophobicContact CG-CG 4.43Å; E261-R341 IonicContact OE1-CZ 3.54Å; E261-R341 IonicContact OE1-NH1 2.75Å; E261-R341 PolarHBondContact OE1-NH1 2.96Å; E261-R341 IonicContact OE1-NH2 3.24Å; E261-R341 PolarHBondContact OE1-NH2 3.3Å; E261-R341 IonicContact OE2-CZ 2.59Å; E261-R341 IonicContact OE2-NH1 2.73Å; E261-R341 IonicContact OE2-NH2 3.48Å; E261-R341 PolarHBondContact OE2-NH2 3.14Å
262	I	96.5	Very high	91.3	Very high	2 Å²	2	37 Å²	37	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-66.3	-42.7	174.9	-50.2	178	0	0	0	109.8	L251 M258 A259 P260 S265 F266 Y273 V277	L251-I262 HydrophobicContact CD1-CG2 4.13Å; M258-I262 HydrophobicContact CB-CD1 4.11Å; M258-I262 HydrophobicContact CE-CB 3.99Å; M258-I262 HydrophobicContact CE-CD1 3.94Å; M258-I262 HydrophobicContact CE-CG2 3.41Å; M258-I262 VanDerWaalsContact CE-CG2 3.41Å; M258-I262 HydrophobicContact CG-CD1 4.37Å; A259-I262 HydrophobicContact CB-CG1 4.44Å; A259-I262 PolarHBondContact O-N 3.27Å; A259-I262 VanDerWaalsContact O-N 3.11Å; P260-I262 VanDerWaalsContact C-N 3.26Å; P260-I262 PolarHBondContact O-N 3.07Å; I262-S265 PolarHBondContact O-N 3.41Å; I262-F266 PolarHBondContact O-N 3.18Å; I262-F266 VanDerWaalsContact O-N 3.11Å; I262-Y273 HydrophobicContact CB-CD1 4.15Å; I262-Y273 HydrophobicContact CB-CE1 4.34Å; I262-Y273 HydrophobicContact CG1-CD1 3.88Å; I262-Y273 HydrophobicContact CG1-CD2 4.26Å; I262-Y273 HydrophobicContact CG1-CE1 4.21Å; I262-Y273 HydrophobicContact CG1-CG 3.91Å; I262-Y273 HydrophobicContact CG2-CD1 3.95Å; I262-Y273 HydrophobicContact CG2-CE1 3.65Å; I262-V277 HydrophobicContact CD1-CB 4.04Å; I262-V277 HydrophobicContact CD1-CG1 3.88Å; I262-V277 HydrophobicContact CG1-CB 4.43Å; I262-V277 HydrophobicContact CG1-CG1 3.72Å
263	F	95.4	Very high	91.3	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.7	-40.2	177.1	-57.3	-61.7	0	0	0	111.9	L251 K255 M258 P260 E261 F266 V267 V304 L307 V308 F311	L251-F263 HydrophobicContact CD1-CD1 3.76Å; L251-F263 HydrophobicContact CD1-CE1 4Å; K255-F263 HydrophobicContact CB-CZ 4.35Å; K255-F263 HydrophobicContact CG-CE1 4.28Å; K255-F263 HydrophobicContact CG-CZ 4.44Å; M258-F263 HydrophobicContact CB-CE1 4.42Å; M258-F263 HydrophobicContact CB-CE2 3.76Å; M258-F263 HydrophobicContact CB-CZ 3.57Å; M258-F263 HydrophobicContact CE-CE1 4.21Å; M258-F263 HydrophobicContact CE-CZ 4.45Å; M258-F263 HydrophobicContact CG-CZ 4.36Å; M258-F263 HydrophobicContact SD-CE1 4.08Å; M258-F263 HydrophobicContact SD-CZ 4.03Å; P260-F263 PolarHBondContact O-N 3.43Å; P260-F263 VanDerWaalsContact O-N 3.14Å; E261-F263 VanDerWaalsContact C-N 3.35Å; F263-F266 PolarHBondContact O-N 3.12Å; F263-V267 WeakPolarHBondContact O-CG2 3.46Å; F263-V267 PolarHBondContact O-N 3.44Å; F263-V304 HydrophobicContact CB-CG1 3.71Å; F263-V304 HydrophobicContact CD1-CG1 3.68Å; F263-V304 HydrophobicContact CG-CG1 4.1Å; F263-L307 HydrophobicContact CD1-CD1 4.2Å; F263-L307 HydrophobicContact CD2-CB 4.4Å; F263-L307 HydrophobicContact CE1-CD1 3.66Å; F263-L307 HydrophobicContact CE2-CD1 4.16Å; F263-L307 HydrophobicContact CG-CB 4.48Å; F263-L307 HydrophobicContact CZ-CD1 3.61Å; F263-V308 HydrophobicContact CB-CG2 3.92Å; F263-F311 HydrophobicContact CD2-CD2 4.41Å; F263-F311 AromaticContact CD2-CE2 3.67Å; F263-F311 HydrophobicContact CD2-CE2 3.67Å; F263-F311 AromaticContact CE2-CE2 3.69Å; F263-F311 HydrophobicContact CE2-CE2 3.69Å; F263-F311 HydrophobicContact CE2-CZ 4.22Å
264	H	91.9	Very high	91.4	Very high	60 Å²	60	35.4 Å²	35.4	28%	0.278	22%	0.215	S	C	.	.	H	α-helix	trans	-62.2	-42.1	173.2	-73.5	-69.9	0	0	0	112.5	P260 E261 F266 N268 V308	P260-H264 PolarHBondContact O-CD2 3.42Å; P260-H264 PolarHBondContact O-N 2.88Å; E261-H264 PolarHBondContact O-N 3.11Å; H264-F266 VanDerWaalsContact C-N 3.31Å; H264-F266 PolarHBondContact O-N 3Å; H264-N268 WeakPolarHBondContact O-CB 3.5Å; H264-N268 PolarHBondContact O-N 2.59Å; H264-V308 VanDerWaalsContact CE1-CG1 3.49Å; H264-V308 WeakPolarHBondContact CE1-CG1 3.35Å
265	S	90.4	Very high	91.4	Very high	7 Å²	7	34.1 Å²	34.1	5%	0.049	21%	0.206	C	C	.	.	H	α-helix	trans	-58.8	-44.6	175.3	-176.2	0	0	0	0	111.3	E261 I262 G269 G270 G272	E261-S265 VanDerWaalsContact O-CB 3.31Å; E261-S265 WeakPolarHBondContact O-CB 3.35Å; E261-S265 PolarHBondContact O-N 3.47Å; I262-S265 PolarHBondContact O-N 3.41Å; S265-G269 WeakPolarHBondContact O-CA 3.34Å; S265-G269 PolarHBondContact O-N 3.33Å; S265-G270 PolarHBondContact O-N 3.39Å; S265-G272 WeakPolarHBondContact OG-CA 3.34Å
266	F	90.1	Very high	91.4	Very high	110 Å²	110	32.5 Å²	32.5	48%	0.482	20%	0.199	S	C	.	.	H	α-helix	trans	-67	-46	-178.4	-178.3	-99.9	0	0	0	113.3	L251 I262 F263 H264 V304	L251-F266 HydrophobicContact CB-CB 4.33Å; L251-F266 HydrophobicContact CB-CD2 3.55Å; L251-F266 HydrophobicContact CB-CE2 4.03Å; L251-F266 HydrophobicContact CB-CG 4.01Å; L251-F266 HydrophobicContact CD1-CB 4.28Å; L251-F266 HydrophobicContact CD1-CG 4.39Å; L251-F266 HydrophobicContact CD2-CD1 4.11Å; L251-F266 HydrophobicContact CD2-CD2 4.05Å; L251-F266 HydrophobicContact CD2-CE1 4.14Å; L251-F266 HydrophobicContact CD2-CE2 4.07Å; L251-F266 HydrophobicContact CD2-CG 4.05Å; L251-F266 HydrophobicContact CD2-CZ 4.11Å; L251-F266 HydrophobicContact CG-CD2 4.32Å; L251-F266 HydrophobicContact CG-CG 4.39Å; I262-F266 PolarHBondContact O-N 3.18Å; I262-F266 VanDerWaalsContact O-N 3.11Å; F263-F266 PolarHBondContact O-N 3.12Å; H264-F266 VanDerWaalsContact C-N 3.31Å; H264-F266 PolarHBondContact O-N 3Å; F266-V304 HydrophobicContact CD1-CB 4.37Å; F266-V304 HydrophobicContact CD1-CG1 4.11Å; F266-V304 HydrophobicContact CD1-CG2 4.15Å; F266-V304 HydrophobicContact CE1-CG2 4.21Å
267	V	87.3	Confident	91.4	Very high	57 Å²	57	32 Å²	32	35%	0.345	20%	0.195	S	C	.	.	H	α-helix	trans	-78.3	-43.3	-175.1	179.7	0	0	0	0	112.3	F263 V304	F263-V267 WeakPolarHBondContact O-CG2 3.46Å; F263-V267 PolarHBondContact O-N 3.44Å; V267-V304 HydrophobicContact CG2-CB 4.05Å; V267-V304 HydrophobicContact CG2-CG1 3.48Å; V267-V304 VanDerWaalsContact CG2-CG1 3.48Å
268	N	80.6	Confident	91.4	Very high	120 Å²	120	31.9 Å²	31.9	64%	0.642	20%	0.195	S	C	*	.	H	α-helix	trans	-99.1	0.6	-169.1	-64.7	-13.3	0	0	0	113.7	H264 G270	H264-N268 WeakPolarHBondContact O-CB 3.5Å; H264-N268 PolarHBondContact O-N 2.59Å; N268-G270 PolarHBondContact O-N 3.26Å
269	G	74.8	Confident	91.4	Very high	69 Å²	69	31.8 Å²	31.8	71%	0.711	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	39	-168.5	0	0	0	0	0	111.7	S265	S265-G269 WeakPolarHBondContact O-CA 3.34Å; S265-G269 PolarHBondContact O-N 3.33Å
270	G	68.1	Low	91.5	Very high	34 Å²	34	31.9 Å²	31.9	35%	0.351	20%	0.195	S	C	.	.			trans	-66.5	-178.1	-172.7	0	0	0	0	0	113.8	S265 N268 G272	S265-G270 PolarHBondContact O-N 3.39Å; N268-G270 PolarHBondContact O-N 3.26Å; G270-G272 PolarHBondContact O-N 3Å
271	T	81.1	Confident	91.6	Very high	131 Å²	131	32 Å²	32	80%	0.804	20%	0.196	S	C	*	.	S	Bend	trans	-63.4	-0.1	-176.9	46.4	0	0	0	0	115.4	R247	R247-T271 WeakPolarHBondContact CB-O 3.29Å; R247-T271 WeakPolarHBondContact CD-O 3.41Å
272	G	92	Very high	91.7	Very high	4 Å²	4	31.2 Å²	31.2	4%	0.041	19%	0.192	C	C	.	.			trans	78.4	175.7	-172.3	0	0	0	0	0	113.3	R247 A248 S265 G270	R247-G272 PolarHBondContact NH1-O 2.88Å; A248-G272 CarbonylContact O-C 3.46Å; A248-G272 WeakPolarHBondContact O-CA 3.27Å; S265-G272 WeakPolarHBondContact OG-CA 3.34Å; G270-G272 PolarHBondContact O-N 3Å
273	Y	95.3	Very high	91.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-116.9	156.8	177.3	61.7	-90.6	0	0	0	111.1	R216 R247 A248 A250 I262 V277	R216-Y273 VanDerWaalsContact CD-OH 3.28Å; R216-Y273 WeakPolarHBondContact CD-OH 3.47Å; R216-Y273 HydrophobicContact CG-CE2 4.32Å; R216-Y273 PolarHBondContact NH1-OH 3.38Å; R216-Y273 VanDerWaalsContact NH1-OH 3.12Å; R247-Y273 WeakPolarHBondContact CA-O 3.36Å; A248-Y273 HydrophobicContact CB-CD1 4.46Å; A248-Y273 HydrophobicContact CB-CD2 4.15Å; A248-Y273 HydrophobicContact CB-CE1 3.94Å; A248-Y273 HydrophobicContact CB-CE2 3.61Å; A248-Y273 VanDerWaalsContact CB-CZ 3.49Å; A248-Y273 PolarHBondContact N-O 2.85Å; A248-Y273 WeakPolarHBondContact O-CD1 3.45Å; A248-Y273 WeakPolarHBondContact O-CE1 3.45Å; A248-Y273 PolarHBondContact O-N 3.14Å; A250-Y273 WeakPolarHBondContact O-CE1 3.34Å; A250-Y273 PolarHBondContact O-OH 3.03Å; I262-Y273 HydrophobicContact CB-CD1 4.15Å; I262-Y273 HydrophobicContact CB-CE1 4.34Å; I262-Y273 HydrophobicContact CG1-CD1 3.88Å; I262-Y273 HydrophobicContact CG1-CD2 4.26Å; I262-Y273 HydrophobicContact CG1-CE1 4.21Å; I262-Y273 HydrophobicContact CG1-CG 3.91Å; I262-Y273 HydrophobicContact CG2-CD1 3.95Å; I262-Y273 HydrophobicContact CG2-CE1 3.65Å; Y273-V277 HydrophobicContact CD2-CB 4.47Å; Y273-V277 HydrophobicContact CD2-CG1 3.6Å; Y273-V277 HydrophobicContact CD2-CG2 4.05Å; Y273-V277 HydrophobicContact CE2-CG2 4.41Å; Y273-V277 HydrophobicContact CG-CG1 3.88Å
274	S	95.9	Very high	92	Very high	13 Å²	13	31.2 Å²	31.2	9%	0.091	19%	0.192	C	C	.	.			trans	-131.3	-158	173.5	-167.3	0	0	0	0	110	E276 V277	S274-E276 VanDerWaalsContact C-CD 3.49Å; S274-E276 WeakPolarHBondContact CA-OE2 3.44Å; S274-E276 VanDerWaalsContact CB-OE2 3.24Å; S274-E276 WeakPolarHBondContact CB-OE2 3.46Å; S274-E276 PolarHBondContact N-OE1 3Å; S274-E276 PolarHBondContact O-N 2.88Å; S274-V277 PolarHBondContact O-N 2.94Å
275	F	97.1	Very high	92.3	Very high	20 Å²	20	28.4 Å²	28.4	9%	0.088	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-23.8	-169.4	-51.8	-81.8	0	0	0	114.9	R209 I213 I214 V277 D278	R209-F275 HydrophobicContact CB-CD1 4.04Å; R209-F275 HydrophobicContact CB-CE1 4.43Å; R209-F275 HydrophobicContact CB-CG 4.33Å; R209-F275 HydrophobicContact CG-CB 4.5Å; R209-F275 HydrophobicContact CG-CD1 4.04Å; R209-F275 HydrophobicContact CG-CD2 4.1Å; R209-F275 HydrophobicContact CG-CE1 4.32Å; R209-F275 HydrophobicContact CG-CE2 4.37Å; R209-F275 HydrophobicContact CG-CG 3.94Å; R209-F275 HydrophobicContact CG-CZ 4.49Å; I213-F275 WeakPolarHBondContact O-CD1 3.36Å; I213-F275 WeakPolarHBondContact O-CE1 3.47Å; I214-F275 HydrophobicContact CD1-CD1 4.37Å; I214-F275 HydrophobicContact CG1-CD1 3.63Å; I214-F275 HydrophobicContact CG1-CE1 3.84Å; I214-F275 HydrophobicContact CG1-CG 4.3Å; F275-V277 PolarHBondContact O-N 3.45Å; F275-D278 PolarHBondContact O-N 2.96Å
276	E	97.3	Very high	92.7	Very high	14 Å²	14	28 Å²	28	7%	0.065	18%	0.177	C	C	.	.	H	α-helix	trans	-50.1	-23.1	176.4	56.5	-98.1	-152.4	0	0	115.8	R247 E261 S274 W280 P338 R341	R247-E276 IonicContact CZ-OE1 3.62Å; R247-E276 VanDerWaalsContact CZ-OE1 3.23Å; R247-E276 IonicContact NH1-OE1 3.86Å; R247-E276 PolarHBondContact NH1-OE1 3.11Å; R247-E276 IonicContact NH2-OE1 2.66Å; R247-E276 PolarHBondContact NH2-OE1 3.45Å; R247-E276 IonicContact NH2-OE2 3.32Å; E261-E276 WeakPolarHBondContact OE1-CG 3.48Å; S274-E276 VanDerWaalsContact C-CD 3.49Å; S274-E276 WeakPolarHBondContact CA-OE2 3.44Å; S274-E276 VanDerWaalsContact CB-OE2 3.24Å; S274-E276 WeakPolarHBondContact CB-OE2 3.46Å; S274-E276 PolarHBondContact N-OE1 3Å; S274-E276 PolarHBondContact O-N 2.88Å; E276-W280 PolarHBondContact O-N 2.97Å; E276-P338 HydrophobicContact CB-CB 3.92Å; E276-P338 HydrophobicContact CG-CB 3.62Å; E276-R341 PolarHBondContact O-NH1 3.16Å
277	V	98.3	Very high	93.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-72.2	-33.5	-175.7	-58.7	0	0	0	0	113.4	I214 A259 E261 I262 Y273 S274 F275 S281	I214-V277 HydrophobicContact CG2-CG2 3.56Å; A259-V277 HydrophobicContact CB-CB 4.03Å; A259-V277 HydrophobicContact CB-CG1 3.96Å; E261-V277 HydrophobicContact CG-CG1 4.21Å; E261-V277 WeakPolarHBondContact OE1-CG1 3.39Å; I262-V277 HydrophobicContact CD1-CB 4.04Å; I262-V277 HydrophobicContact CD1-CG1 3.88Å; I262-V277 HydrophobicContact CG1-CB 4.43Å; I262-V277 HydrophobicContact CG1-CG1 3.72Å; Y273-V277 HydrophobicContact CD2-CB 4.47Å; Y273-V277 HydrophobicContact CD2-CG1 3.6Å; Y273-V277 HydrophobicContact CD2-CG2 4.05Å; Y273-V277 HydrophobicContact CE2-CG2 4.41Å; Y273-V277 HydrophobicContact CG-CG1 3.88Å; S274-V277 PolarHBondContact O-N 2.94Å; F275-V277 PolarHBondContact O-N 3.45Å; V277-S281 PolarHBondContact O-N 3.33Å; V277-S281 VanDerWaalsContact O-N 3.15Å; V277-S281 PolarHBondContact O-OG 3.04Å
278	D	98.8	Very high	93.6	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-73.7	-34.3	-179.2	-68.8	-31.2	0	0	0	110.4	L205 I214 H215 R216 V218 F275 S281 V282	L205-D278 HydrophobicContact CD1-CB 3.72Å; L205-D278 HydrophobicContact CD2-CB 3.63Å; L205-D278 HydrophobicContact CG-CB 4.31Å; I214-D278 VanDerWaalsContact CG2-OD2 3.25Å; I214-D278 WeakPolarHBondContact CG2-OD2 3.43Å; H215-D278 PolarHBondContact N-OD2 2.88Å; R216-D278 WeakPolarHBondContact CA-OD1 3.48Å; R216-D278 PolarHBondContact N-OD1 3.38Å; V218-D278 HydrophobicContact CG2-CB 4.1Å; F275-D278 PolarHBondContact O-N 2.96Å; D278-S281 WeakPolarHBondContact O-CA 3.27Å; D278-S281 WeakPolarHBondContact O-CB 3.48Å; D278-S281 PolarHBondContact O-N 2.98Å; D278-S281 VanDerWaalsContact O-N 3.13Å; D278-V282 WeakPolarHBondContact O-CG2 3.41Å; D278-V282 PolarHBondContact O-N 3.38Å
279	W	98.8	Very high	94.4	Very high	3 Å²	3	15.1 Å²	15.1	1%	0.011	11%	0.11	C	C	.	.	H	α-helix	trans	-65.7	-39.1	174.4	-64.4	88.9	0	0	0	113.1	A202 L205 S281 V282 G283 L333 F342 S343 S344 M348	A202-W279 HydrophobicContact CB-CH2 3.68Å; A202-W279 HydrophobicContact CB-CZ3 3.59Å; L205-W279 HydrophobicContact CB-CZ2 4.02Å; L205-W279 HydrophobicContact CD1-CD2 4.17Å; L205-W279 HydrophobicContact CD1-CG 4.26Å; W279-S281 VanDerWaalsContact C-N 3.3Å; W279-S281 PolarHBondContact O-N 2.93Å; W279-V282 PolarHBondContact O-N 2.85Å; W279-G283 PolarHBondContact O-N 3.36Å; W279-G283 VanDerWaalsContact O-N 3.08Å; W279-L333 HydrophobicContact CB-CD2 4.42Å; W279-L333 HydrophobicContact CE3-CD2 4.13Å; W279-F342 VanDerWaalsContact CB-O 3.26Å; W279-F342 WeakPolarHBondContact CB-O 3.3Å; W279-S343 VanDerWaalsContact CE2-C 3.42Å; W279-S343 PolarHBondContact NE1-O 3.48Å; W279-S343 VanDerWaalsContact NE1-O 3.14Å; W279-S344 VanDerWaalsContact CH2-C 3.43Å; W279-M348 HydrophobicContact CE3-SD 4.41Å; W279-M348 HydrophobicContact CH2-CG 4.09Å; W279-M348 HydrophobicContact CZ3-CE 4.43Å; W279-M348 HydrophobicContact CZ3-CG 3.54Å; W279-M348 HydrophobicContact CZ3-SD 3.93Å
280	W	98.8	Very high	95.5	Very high	1 Å²	1	13.1 Å²	13.1	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-59.7	-44.2	169.3	169.5	-84.3	0	0	0	111.1	Y257 M258 A259 P260 E276 V282 G283 V284 Y296 F311 L334 V336	Y257-W280 PolarHBondContact O-NE1 3.09Å; M258-W280 PolarHBondContact O-NE1 3.26Å; A259-W280 VanDerWaalsContact CA-CD1 3.43Å; A259-W280 HydrophobicContact CB-CB 3.82Å; A259-W280 HydrophobicContact CB-CD2 4.32Å; A259-W280 HydrophobicContact CB-CG 3.68Å; P260-W280 HydrophobicContact CG-CE3 4.5Å; P260-W280 HydrophobicContact CG-CH2 3.76Å; P260-W280 HydrophobicContact CG-CZ2 3.93Å; P260-W280 HydrophobicContact CG-CZ3 4.06Å; E276-W280 PolarHBondContact O-N 2.97Å; W280-V282 PolarHBondContact O-N 3.19Å; W280-G283 CarbonylContact O-C 3.48Å; W280-G283 WeakPolarHBondContact O-CA 3.32Å; W280-G283 PolarHBondContact O-N 2.8Å; W280-V284 PolarHBondContact O-N 2.99Å; W280-Y296 AromaticContact CH2-CE2 3.75Å; W280-Y296 HydrophobicContact CH2-CE2 3.75Å; W280-Y296 HydrophobicContact CZ2-CD2 4.28Å; W280-Y296 AromaticContact CZ2-CE2 3.69Å; W280-Y296 HydrophobicContact CZ2-CE2 3.69Å; W280-F311 HydrophobicContact CH2-CD1 4.23Å; W280-F311 HydrophobicContact CH2-CE1 4.23Å; W280-F311 HydrophobicContact CZ2-CD1 4.12Å; W280-F311 AromaticContact CZ2-CE1 3.67Å; W280-F311 HydrophobicContact CZ2-CE1 3.67Å; W280-F311 HydrophobicContact CZ2-CZ 4.37Å; W280-L334 HydrophobicContact CD2-CD2 4.23Å; W280-L334 HydrophobicContact CE3-CD2 4.3Å; W280-L334 HydrophobicContact CH2-CD2 4.45Å; W280-L334 HydrophobicContact CZ2-CD2 4.36Å; W280-L334 VanDerWaalsContact CZ3-C 3.5Å; W280-L334 HydrophobicContact CZ3-CB 4.35Å; W280-L334 HydrophobicContact CZ3-CD2 4.42Å; W280-L334 WeakPolarHBondContact CZ3-O 3.46Å; W280-V336 HydrophobicContact CH2-CG2 4.24Å; W280-V336 HydrophobicContact CZ3-CG2 4.22Å
281	S	98.8	Very high	96.9	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.028	8%	0.08	C	C	.	.	H	α-helix	trans	-63.5	-39.1	-179.1	-54.5	0	0	0	0	111.8	V218 Y257 V277 D278 W279 G283 V284 M285	V218-S281 WeakPolarHBondContact O-CB 3.38Å; Y257-S281 PolarHBondContact O-OG 3.26Å; Y257-S281 VanDerWaalsContact O-OG 3.1Å; V277-S281 PolarHBondContact O-N 3.33Å; V277-S281 VanDerWaalsContact O-N 3.15Å; V277-S281 PolarHBondContact O-OG 3.04Å; D278-S281 WeakPolarHBondContact O-CA 3.27Å; D278-S281 WeakPolarHBondContact O-CB 3.48Å; D278-S281 PolarHBondContact O-N 2.98Å; D278-S281 VanDerWaalsContact O-N 3.13Å; W279-S281 VanDerWaalsContact C-N 3.3Å; W279-S281 PolarHBondContact O-N 2.93Å; S281-G283 VanDerWaalsContact C-N 3.34Å; S281-G283 PolarHBondContact O-N 2.96Å; S281-V284 PolarHBondContact O-N 3.47Å; S281-M285 WeakPolarHBondContact O-CB 3.23Å; S281-M285 PolarHBondContact O-N 3.37Å
282	V	98.8	Very high	97.5	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.012	7%	0.067	C	C	.	.	H	α-helix	trans	-58.9	-42.3	167.9	172.2	0	0	0	0	111.5	I198 M201 L205 V218 D278 W279 W280 M285 A286 L333	I198-V282 HydrophobicContact CG1-CG1 4.28Å; I198-V282 HydrophobicContact CG2-CG1 4.36Å; M201-V282 HydrophobicContact CB-CG1 4.48Å; M201-V282 HydrophobicContact CB-CG2 3.96Å; L205-V282 HydrophobicContact CD1-CG2 3.72Å; V218-V282 HydrophobicContact CG1-CG2 3.89Å; D278-V282 WeakPolarHBondContact O-CG2 3.41Å; D278-V282 PolarHBondContact O-N 3.38Å; W279-V282 PolarHBondContact O-N 2.85Å; W280-V282 PolarHBondContact O-N 3.19Å; V282-M285 PolarHBondContact O-N 2.89Å; V282-A286 VanDerWaalsContact O-CB 3.3Å; V282-A286 WeakPolarHBondContact O-CB 3.33Å; V282-A286 PolarHBondContact O-N 2.89Å; V282-L333 HydrophobicContact CG1-CD1 4.43Å
283	G	98.8	Very high	97.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.7	-42.1	174.6	0	0	0	0	0	113.6	W279 W280 S281 Y287	W279-G283 PolarHBondContact O-N 3.36Å; W279-G283 VanDerWaalsContact O-N 3.08Å; W280-G283 CarbonylContact O-C 3.48Å; W280-G283 WeakPolarHBondContact O-CA 3.32Å; W280-G283 PolarHBondContact O-N 2.8Å; S281-G283 VanDerWaalsContact C-N 3.34Å; S281-G283 PolarHBondContact O-N 2.96Å; G283-Y287 WeakPolarHBondContact O-CB 3.49Å; G283-Y287 PolarHBondContact O-N 3.17Å; G283-Y287 VanDerWaalsContact O-N 3.12Å
284	V	98.8	Very high	97.8	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-46.1	176.3	175.4	0	0	0	0	110.5	Y257 W280 S281 E288 R294 P295 L334	Y257-V284 HydrophobicContact CD1-CB 3.99Å; Y257-V284 HydrophobicContact CD1-CG1 3.42Å; Y257-V284 VanDerWaalsContact CD1-CG1 3.42Å; Y257-V284 HydrophobicContact CE1-CG1 3.71Å; Y257-V284 HydrophobicContact CG-CG1 4.27Å; W280-V284 PolarHBondContact O-N 2.99Å; S281-V284 PolarHBondContact O-N 3.47Å; V284-E288 WeakPolarHBondContact O-CB 3.31Å; V284-E288 PolarHBondContact O-N 3.12Å; V284-R294 HydrophobicContact CG1-CG 4.45Å; V284-P295 HydrophobicContact CG1-CG 4.32Å; V284-P295 HydrophobicContact CG2-CG 4.32Å; V284-L334 HydrophobicContact CG2-CD2 3.7Å
285	M	98.6	Very high	97.9	Very high	1 Å²	1	21 Å²	21	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-60.5	-51.8	177.5	179.4	-171.1	74.6	0	0	111.8	L179 M201 P220 I223 S281 V282 Y287 E288 L289	L179-M285 HydrophobicContact CD1-SD 4.41Å; M201-M285 HydrophobicContact CG-CE 4.23Å; P220-M285 HydrophobicContact CG-CG 4.02Å; I223-M285 HydrophobicContact CB-SD 4.48Å; I223-M285 HydrophobicContact CD1-SD 4.44Å; I223-M285 HydrophobicContact CG1-CE 4.43Å; I223-M285 HydrophobicContact CG1-SD 3.48Å; I223-M285 WeakPolarHBondContact CG1-SD 3.28Å; S281-M285 WeakPolarHBondContact O-CB 3.23Å; S281-M285 PolarHBondContact O-N 3.37Å; V282-M285 PolarHBondContact O-N 2.89Å; M285-Y287 VanDerWaalsContact C-N 3.31Å; M285-Y287 PolarHBondContact O-N 3.12Å; M285-E288 WeakPolarHBondContact O-CB 3.3Å; M285-E288 PolarHBondContact O-N 3.07Å; M285-L289 HydrophobicContact CE-CD1 4.49Å; M285-L289 HydrophobicContact CG-CD1 4.02Å; M285-L289 HydrophobicContact CG-CG 4.44Å; M285-L289 WeakPolarHBondContact O-CG 3.46Å; M285-L289 PolarHBondContact O-N 3.42Å
286	A	98.6	Very high	97.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60	-41	-179.4	0	0	0	0	0	112.5	V194 I198 V282 L289 L290 L330	V194-A286 HydrophobicContact CG1-CB 3.68Å; I198-A286 HydrophobicContact CD1-CB 3.68Å; I198-A286 HydrophobicContact CG1-CB 3.69Å; V282-A286 VanDerWaalsContact O-CB 3.3Å; V282-A286 WeakPolarHBondContact O-CB 3.33Å; V282-A286 PolarHBondContact O-N 2.89Å; A286-L289 PolarHBondContact O-N 3.17Å; A286-L290 WeakPolarHBondContact O-CG 3.17Å; A286-L290 PolarHBondContact O-N 3Å; A286-L330 HydrophobicContact CB-CD2 3.73Å
287	Y	98.7	Very high	97.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-43.6	173.3	-177.4	-76.9	0	0	0	112	G283 M285 L290 R291 W293 P295 V316 Q317 Y318 W322 L330 L334	G283-Y287 WeakPolarHBondContact O-CB 3.49Å; G283-Y287 PolarHBondContact O-N 3.17Å; G283-Y287 VanDerWaalsContact O-N 3.12Å; M285-Y287 VanDerWaalsContact C-N 3.31Å; M285-Y287 PolarHBondContact O-N 3.12Å; Y287-L290 PolarHBondContact O-N 2.82Å; Y287-R291 HydrophobicContact CD1-CB 4.36Å; Y287-R291 HydrophobicContact CE1-CB 4.11Å; Y287-R291 HydrophobicContact CE1-CG 4.37Å; Y287-R291 WeakPolarHBondContact O-CB 3.25Å; Y287-R291 PolarHBondContact O-N 3.24Å; Y287-R291 VanDerWaalsContact OH-CD 3.25Å; Y287-R291 WeakPolarHBondContact OH-CD 3.44Å; Y287-R291 VanDerWaalsContact OH-CZ 3.32Å; Y287-R291 PolarHBondContact OH-NE 3.22Å; Y287-R291 PolarHBondContact OH-NH1 2.77Å; Y287-W293 WeakPolarHBondContact CD1-O 3.21Å; Y287-W293 WeakPolarHBondContact CE1-O 3.3Å; Y287-P295 HydrophobicContact CD1-CB 3.72Å; Y287-P295 VanDerWaalsContact CD1-CD 3.41Å; Y287-P295 HydrophobicContact CD1-CG 4Å; Y287-P295 HydrophobicContact CD2-CB 4.08Å; Y287-P295 HydrophobicContact CE1-CB 3.69Å; Y287-P295 HydrophobicContact CE1-CG 4.43Å; Y287-P295 VanDerWaalsContact CE1-N 3.35Å; Y287-P295 HydrophobicContact CE2-CB 4.07Å; Y287-P295 HydrophobicContact CG-CB 3.9Å; Y287-P295 HydrophobicContact CG-CG 4.13Å; Y287-V316 HydrophobicContact CD2-CG1 3.98Å; Y287-V316 HydrophobicContact CE2-CG1 3.47Å; Y287-V316 VanDerWaalsContact CE2-CG1 3.47Å; Y287-Q317 WeakPolarHBondContact CE2-O 3.4Å; Y287-Q317 PolarHBondContact OH-O 3.3Å; Y287-Y318 HydrophobicContact CD2-CE1 4.44Å; Y287-Y318 HydrophobicContact CE2-CD1 4.46Å; Y287-Y318 HydrophobicContact CE2-CE1 4.49Å; Y287-W322 AromaticContact CD2-CH2 3.89Å; Y287-W322 HydrophobicContact CD2-CH2 3.89Å; Y287-W322 AromaticContact CD2-CZ3 3.89Å; Y287-W322 HydrophobicContact CD2-CZ3 3.89Å; Y287-W322 AromaticContact CE2-CH2 3.8Å; Y287-W322 HydrophobicContact CE2-CH2 3.8Å; Y287-W322 AromaticContact CE2-CZ3 3.78Å; Y287-W322 HydrophobicContact CE2-CZ3 3.78Å; Y287-W322 HydrophobicContact CG-CH2 4.36Å; Y287-L330 HydrophobicContact CD2-CD1 4.44Å; Y287-L334 HydrophobicContact CD2-CD1 4.28Å
288	E	98.2	Very high	97.7	Very high	11 Å²	11	25.9 Å²	25.9	5%	0.051	13%	0.129	C	C	.	.	H	α-helix	trans	-65	-39.2	178	-174.4	178.6	-168.7	0	0	112.3	R180 L183 Y257 V284 M285 L290 R291 G292 R294	R180-E288 IonicContact CZ-OE1 2.65Å; R180-E288 IonicContact NH1-OE1 3.44Å; R180-E288 PolarHBondContact NH1-OE1 3.37Å; R180-E288 IonicContact NH2-OE1 3.48Å; L183-E288 HydrophobicContact CD1-CG 3.95Å; Y257-E288 VanDerWaalsContact CE1-OE2 3.28Å; Y257-E288 WeakPolarHBondContact CE1-OE2 3.46Å; Y257-E288 VanDerWaalsContact CZ-OE2 3.31Å; Y257-E288 VanDerWaalsContact OH-CD 3.3Å; Y257-E288 PolarHBondContact OH-OE1 2.87Å; Y257-E288 PolarHBondContact OH-OE2 3.49Å; V284-E288 WeakPolarHBondContact O-CB 3.31Å; V284-E288 PolarHBondContact O-N 3.12Å; M285-E288 WeakPolarHBondContact O-CB 3.3Å; M285-E288 PolarHBondContact O-N 3.07Å; E288-L290 VanDerWaalsContact C-N 3.32Å; E288-L290 PolarHBondContact O-N 3.48Å; E288-R291 PolarHBondContact O-N 3.32Å; E288-G292 VanDerWaalsContact O-CA 3.26Å; E288-G292 WeakPolarHBondContact O-CA 3.43Å; E288-G292 PolarHBondContact O-N 3.04Å; E288-R294 HydrophobicContact CB-CG 4.28Å; E288-R294 HydrophobicContact CG-CG 4.08Å
289	L	97.9	Very high	97.5	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-35.7	176.1	-67	168	0	0	0	113	L179 L183 F189 V194 Y197 M285 A286	L179-L289 HydrophobicContact CB-CD2 4.26Å; L179-L289 HydrophobicContact CD1-CD1 3.97Å; L179-L289 HydrophobicContact CD1-CD2 4.19Å; L179-L289 HydrophobicContact CD2-CD2 4.47Å; L183-L289 HydrophobicContact CD1-CD2 4.07Å; L183-L289 HydrophobicContact CD2-CD2 4.29Å; L183-L289 HydrophobicContact CG-CD2 4.05Å; F189-L289 HydrophobicContact CD2-CB 4.16Å; F189-L289 HydrophobicContact CD2-CD2 3.8Å; F189-L289 HydrophobicContact CE2-CD2 3.59Å; F189-L289 HydrophobicContact CZ-CD2 4.28Å; V194-L289 HydrophobicContact CG2-CB 3.76Å; V194-L289 HydrophobicContact CG2-CD1 4.48Å; Y197-L289 HydrophobicContact CD2-CD1 4.13Å; M285-L289 HydrophobicContact CE-CD1 4.49Å; M285-L289 HydrophobicContact CG-CD1 4.02Å; M285-L289 HydrophobicContact CG-CG 4.44Å; M285-L289 WeakPolarHBondContact O-CG 3.46Å; M285-L289 PolarHBondContact O-N 3.42Å; A286-L289 PolarHBondContact O-N 3.17Å
290	L	97.3	Very high	97.1	Very high	28 Å²	28	34.7 Å²	34.7	15%	0.147	18%	0.181	C	C	.	.	H	α-helix	trans	-82	-32.8	178.1	-67.4	171.1	0	0	0	113.8	E191 V194 A286 Y287 E288 W322 M326 L330	E191-L290 HydrophobicContact CG-CD2 3.95Å; V194-L290 HydrophobicContact CB-CD2 3.92Å; V194-L290 HydrophobicContact CB-CG 4.12Å; V194-L290 HydrophobicContact CG1-CD1 4.21Å; V194-L290 HydrophobicContact CG1-CD2 4.39Å; V194-L290 HydrophobicContact CG1-CG 4.04Å; V194-L290 HydrophobicContact CG2-CD2 3.65Å; V194-L290 HydrophobicContact CG2-CG 3.92Å; A286-L290 WeakPolarHBondContact O-CG 3.17Å; A286-L290 PolarHBondContact O-N 3Å; Y287-L290 PolarHBondContact O-N 2.82Å; E288-L290 VanDerWaalsContact C-N 3.32Å; E288-L290 PolarHBondContact O-N 3.48Å; L290-W322 HydrophobicContact CB-CH2 4.17Å; L290-W322 HydrophobicContact CB-CZ2 3.52Å; L290-M326 HydrophobicContact CD1-CE 4.24Å; L290-M326 HydrophobicContact CD1-CG 3.6Å; L290-M326 HydrophobicContact CD1-SD 3.78Å; L290-L330 HydrophobicContact CD1-CD1 4.06Å
291	R	96.1	Very high	96.8	Very high	76 Å²	76	39.6 Å²	39.6	29%	0.287	22%	0.215	S	C	.	.	H	α-helix	trans	-99	-23.5	-173.8	-159.3	177	-173.6	-153.6	-3.6	113.6	Y287 E288 W293 V319 W322	Y287-R291 HydrophobicContact CD1-CB 4.36Å; Y287-R291 HydrophobicContact CE1-CB 4.11Å; Y287-R291 HydrophobicContact CE1-CG 4.37Å; Y287-R291 WeakPolarHBondContact O-CB 3.25Å; Y287-R291 PolarHBondContact O-N 3.24Å; Y287-R291 VanDerWaalsContact OH-CD 3.25Å; Y287-R291 WeakPolarHBondContact OH-CD 3.44Å; Y287-R291 VanDerWaalsContact OH-CZ 3.32Å; Y287-R291 PolarHBondContact OH-NE 3.22Å; Y287-R291 PolarHBondContact OH-NH1 2.77Å; E288-R291 PolarHBondContact O-N 3.32Å; R291-W293 VanDerWaalsContact C-N 3.25Å; R291-W293 HydrophobicContact CG-CD2 4Å; R291-W293 HydrophobicContact CG-CE3 4.33Å; R291-W293 HydrophobicContact CG-CH2 4.32Å; R291-W293 HydrophobicContact CG-CZ2 4Å; R291-W293 HydrophobicContact CG-CZ3 4.48Å; R291-W293 WeakPolarHBondContact O-CZ3 3.33Å; R291-V319 HydrophobicContact CG-CG2 4.47Å; R291-W322 HydrophobicContact CB-CH2 4.07Å; R291-W322 HydrophobicContact CB-CZ2 3.9Å; R291-W322 HydrophobicContact CG-CZ2 4.37Å
292	G	95.4	Very high	96.6	Very high	51 Å²	51	41.7 Å²	41.7	53%	0.526	23%	0.226	S	C	.	.	S	Bend	trans	80.6	-1.8	-167.3	0	0	0	0	0	114.2	E288	E288-G292 VanDerWaalsContact O-CA 3.26Å; E288-G292 WeakPolarHBondContact O-CA 3.43Å; E288-G292 PolarHBondContact O-N 3.04Å
293	W	95.1	Very high	96.4	Very high	147 Å²	147	44.2 Å²	44.2	56%	0.557	25%	0.247	S	C	*	.	S	Bend	trans	-155.5	157.7	173.4	65.5	88.2	0	0	0	112.2	Y287 R291	Y287-W293 WeakPolarHBondContact CD1-O 3.21Å; Y287-W293 WeakPolarHBondContact CE1-O 3.3Å; R291-W293 VanDerWaalsContact C-N 3.25Å; R291-W293 HydrophobicContact CG-CD2 4Å; R291-W293 HydrophobicContact CG-CE3 4.33Å; R291-W293 HydrophobicContact CG-CH2 4.32Å; R291-W293 HydrophobicContact CG-CZ2 4Å; R291-W293 HydrophobicContact CG-CZ3 4.48Å; R291-W293 WeakPolarHBondContact O-CZ3 3.33Å
294	R	97.4	Very high	96.1	Very high	60 Å²	60	44.8 Å²	44.8	23%	0.226	25%	0.25	C	S	.	.			trans	-67.2	157.9	-171.4	-64.5	174.2	-55.8	-148.5	6.2	113.6	V284 E288 Y296 I298	V284-R294 HydrophobicContact CG1-CG 4.45Å; E288-R294 HydrophobicContact CB-CG 4.28Å; E288-R294 HydrophobicContact CG-CG 4.08Å; R294-Y296 VanDerWaalsContact C-N 3.32Å; R294-Y296 PolarHBondContact O-N 3.38Å; R294-I298 PolarHBondContact NH2-O 2.83Å
295	P	97.6	Very high	95.8	Very high	13 Å²	13	50.2 Å²	50.2	8%	0.084	28%	0.276	C	S	.	.	S	Bend	trans	-70.4	-25.2	179.7	26.1	-31.8	0	0	0	114	V284 Y287 V316 L334	V284-P295 HydrophobicContact CG1-CG 4.32Å; V284-P295 HydrophobicContact CG2-CG 4.32Å; Y287-P295 HydrophobicContact CD1-CB 3.72Å; Y287-P295 VanDerWaalsContact CD1-CD 3.41Å; Y287-P295 HydrophobicContact CD1-CG 4Å; Y287-P295 HydrophobicContact CD2-CB 4.08Å; Y287-P295 HydrophobicContact CE1-CB 3.69Å; Y287-P295 HydrophobicContact CE1-CG 4.43Å; Y287-P295 VanDerWaalsContact CE1-N 3.35Å; Y287-P295 HydrophobicContact CE2-CB 4.07Å; Y287-P295 HydrophobicContact CG-CB 3.9Å; Y287-P295 HydrophobicContact CG-CG 4.13Å; P295-V316 HydrophobicContact CB-CG1 3.74Å; P295-V316 HydrophobicContact CB-CG2 4.13Å; P295-L334 HydrophobicContact CB-CD1 4.31Å; P295-L334 HydrophobicContact CG-CD1 4.17Å
296	Y	97.5	Very high	95.6	Very high	13 Å²	13	52.5 Å²	52.5	5%	0.051	29%	0.292	C	S	.	.	S	Bend	trans	-122.6	142.3	178.5	-63	-82.6	0	0	0	110.7	W280 R294 I298 L310 F311 V314 V316	W280-Y296 AromaticContact CH2-CE2 3.75Å; W280-Y296 HydrophobicContact CH2-CE2 3.75Å; W280-Y296 HydrophobicContact CZ2-CD2 4.28Å; W280-Y296 AromaticContact CZ2-CE2 3.69Å; W280-Y296 HydrophobicContact CZ2-CE2 3.69Å; R294-Y296 VanDerWaalsContact C-N 3.32Å; R294-Y296 PolarHBondContact O-N 3.38Å; Y296-I298 PolarHBondContact O-N 2.66Å; Y296-L310 HydrophobicContact CD1-CD2 4.24Å; Y296-L310 HydrophobicContact CD1-CG 4.28Å; Y296-F311 HydrophobicContact CD1-CD1 4.14Å; Y296-F311 HydrophobicContact CD1-CE1 4.1Å; Y296-F311 HydrophobicContact CD2-CD1 4.31Å; Y296-F311 AromaticContact CD2-CE1 3.72Å; Y296-F311 HydrophobicContact CD2-CE1 3.72Å; Y296-F311 AromaticContact CE1-CD1 3.8Å; Y296-F311 HydrophobicContact CE1-CD1 3.8Å; Y296-F311 HydrophobicContact CE1-CE1 4.14Å; Y296-F311 HydrophobicContact CE2-CD1 4Å; Y296-F311 AromaticContact CE2-CE1 3.79Å; Y296-F311 HydrophobicContact CE2-CE1 3.79Å; Y296-F311 HydrophobicContact CG-CD1 4.38Å; Y296-F311 AromaticContact CG-CE1 3.89Å; Y296-F311 HydrophobicContact CG-CE1 3.89Å; Y296-F311 AromaticContact CZ-CD1 3.73Å; Y296-F311 AromaticContact CZ-CE1 3.99Å; Y296-V314 HydrophobicContact CD1-CG1 4.39Å; Y296-V314 HydrophobicContact CE1-CB 4.44Å; Y296-V314 HydrophobicContact CE1-CG1 4.36Å; Y296-V316 HydrophobicContact CE1-CG2 4.48Å; Y296-V316 HydrophobicContact CE2-CG2 3.75Å; Y296-V316 WeakPolarHBondContact OH-CG2 3.29Å
297	D	95.1	Very high	95.4	Very high	124 Å²	124	52.6 Å²	52.6	66%	0.663	29%	0.293	S	S	*	.			trans	-85.5	89.8	175.3	-164.7	22.6	0	0	0	110	H299	D297-H299 IonicContact OD1-CE1 3.78Å; D297-H299 IonicContact OD1-NE2 3.55Å
298	I	96.6	Very high	95.1	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	30%	0.301	C	S	.	.			trans	-127.4	136.8	-175.9	-59.2	176.8	0	0	0	109.2	K255 P256 R294 Y296 L307 L310 F311	K255-I298 HydrophobicContact CB-CG2 4.1Å; P256-I298 HydrophobicContact CB-CB 4.07Å; P256-I298 HydrophobicContact CB-CG2 4.2Å; P256-I298 HydrophobicContact CG-CB 4.28Å; P256-I298 HydrophobicContact CG-CG2 4.05Å; P256-I298 VanDerWaalsContact CG-O 3.26Å; P256-I298 WeakPolarHBondContact CG-O 3.42Å; R294-I298 PolarHBondContact NH2-O 2.83Å; Y296-I298 PolarHBondContact O-N 2.66Å; I298-L307 HydrophobicContact CB-CD2 4.38Å; I298-L307 HydrophobicContact CD1-CD2 4.13Å; I298-L307 HydrophobicContact CG1-CD2 3.87Å; I298-L307 HydrophobicContact CG2-CD1 4.2Å; I298-L307 HydrophobicContact CG2-CD2 3.83Å; I298-L310 HydrophobicContact CD1-CD2 3.95Å; I298-L310 HydrophobicContact CG1-CD2 3.65Å; I298-F311 HydrophobicContact CD1-CE1 4.05Å; I298-F311 HydrophobicContact CD1-CE2 4.33Å; I298-F311 HydrophobicContact CD1-CZ 3.53Å
299	H	94	Very high	94.9	Very high	92 Å²	92	59.7 Å²	59.7	43%	0.426	33%	0.327	S	S	.	.			trans	-125.8	164.3	173.1	-55.4	-68.3	0	0	0	110.9	D297 S301 N302	D297-H299 IonicContact OD1-CE1 3.78Å; D297-H299 IonicContact OD1-NE2 3.55Å; H299-S301 PolarHBondContact O-N 2.82Å; H299-N302 WeakPolarHBondContact CA-OD1 3.27Å; H299-N302 WeakPolarHBondContact CB-OD1 3.48Å; H299-N302 PolarHBondContact N-OD1 3.34Å; H299-N302 PolarHBondContact O-N 3.11Å; H299-N302 PolarHBondContact O-OD1 3.47Å
300	S	91.1	Very high	94.8	Very high	100 Å²	100	61.3 Å²	61.3	70%	0.699	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.6	176.1	49.9	0	0	0	0	113.1	K255	K255-S300 WeakPolarHBondContact CE-O 3.39Å; K255-S300 PolarHBondContact NZ-O 3.4Å
301	S	92.9	Very high	94.7	Very high	104 Å²	104	60.5 Å²	60.5	73%	0.727	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.1	-179.5	52.5	0	0	0	0	115.2	H299	H299-S301 PolarHBondContact O-N 2.82Å
302	N	94.4	Very high	94.5	Very high	47 Å²	47	61 Å²	61	25%	0.251	35%	0.347	S	S	.	.	S	Bend	trans	-66.1	136.9	-179.8	-69.3	95.5	0	0	0	111.9	K255 H299 L307	K255-N302 PolarHBondContact NZ-O 3.06Å; H299-N302 WeakPolarHBondContact CA-OD1 3.27Å; H299-N302 WeakPolarHBondContact CB-OD1 3.48Å; H299-N302 PolarHBondContact N-OD1 3.34Å; H299-N302 PolarHBondContact O-N 3.11Å; H299-N302 PolarHBondContact O-OD1 3.47Å; N302-L307 HydrophobicContact CB-CD1 4.44Å; N302-L307 HydrophobicContact CB-CD2 3.77Å; N302-L307 HydrophobicContact CB-CG 4.19Å
303	A	94.7	Very high	94.4	Very high	55 Å²	55	63.3 Å²	63.3	46%	0.455	35%	0.35	S	S	.	.			trans	-69	143.9	173	0	0	0	0	0	110.9	E305 S306 L307	A303-E305 VanDerWaalsContact C-N 3.31Å; A303-E305 PolarHBondContact O-N 3.46Å; A303-S306 WeakPolarHBondContact O-CB 3.46Å; A303-S306 PolarHBondContact O-N 3.07Å; A303-S306 VanDerWaalsContact O-N 3.12Å; A303-S306 PolarHBondContact O-OG 3.43Å; A303-L307 PolarHBondContact O-N 3.13Å
304	V	92.6	Very high	94.4	Very high	12 Å²	12	59.4 Å²	59.4	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-36.8	-169.2	-178	0	0	0	0	111.9	L251 F263 F266 V267 S306 L307 V308	L251-V304 HydrophobicContact CD2-CG2 4.09Å; F263-V304 HydrophobicContact CB-CG1 3.71Å; F263-V304 HydrophobicContact CD1-CG1 3.68Å; F263-V304 HydrophobicContact CG-CG1 4.1Å; F266-V304 HydrophobicContact CD1-CB 4.37Å; F266-V304 HydrophobicContact CD1-CG1 4.11Å; F266-V304 HydrophobicContact CD1-CG2 4.15Å; F266-V304 HydrophobicContact CE1-CG2 4.21Å; V267-V304 HydrophobicContact CG2-CB 4.05Å; V267-V304 HydrophobicContact CG2-CG1 3.48Å; V267-V304 VanDerWaalsContact CG2-CG1 3.48Å; V304-S306 VanDerWaalsContact C-N 3.26Å; V304-S306 PolarHBondContact O-N 3.48Å; V304-L307 WeakPolarHBondContact O-CB 3.41Å; V304-L307 PolarHBondContact O-N 3.45Å; V304-V308 PolarHBondContact O-N 2.72Å; V304-V308 VanDerWaalsContact O-N 3.09Å
305	E	91.9	Very high	94.3	Very high	115 Å²	115	60.4 Å²	60.4	54%	0.537	36%	0.359	S	S	.	.	H	α-helix	trans	-60.1	-37.8	177.1	-55.7	75.2	-166.6	0	0	111.2	A303 L307 V308 Q309	A303-E305 VanDerWaalsContact C-N 3.31Å; A303-E305 PolarHBondContact O-N 3.46Å; E305-L307 VanDerWaalsContact C-N 3.32Å; E305-L307 PolarHBondContact O-N 3.29Å; E305-V308 PolarHBondContact O-N 3.34Å; E305-Q309 PolarHBondContact O-N 2.75Å; E305-Q309 VanDerWaalsContact O-N 3.15Å
306	S	94.3	Very high	94.3	Very high	50 Å²	50	60.6 Å²	60.6	35%	0.35	36%	0.36	S	S	.	.	H	α-helix	trans	-68.7	-30.7	176.9	74.4	0	0	0	0	112.5	A303 V304 L310	A303-S306 WeakPolarHBondContact O-CB 3.46Å; A303-S306 PolarHBondContact O-N 3.07Å; A303-S306 VanDerWaalsContact O-N 3.12Å; A303-S306 PolarHBondContact O-OG 3.43Å; V304-S306 VanDerWaalsContact C-N 3.26Å; V304-S306 PolarHBondContact O-N 3.48Å; S306-L310 WeakPolarHBondContact O-CB 3.44Å; S306-L310 PolarHBondContact O-N 3.29Å
307	L	94.9	Very high	94.2	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-74.2	-39.6	176.9	-58.3	-178.1	0	0	0	111.5	K255 F263 I298 N302 A303 V304 E305 Q309 L310 F311	K255-L307 HydrophobicContact CD-CD1 4.24Å; F263-L307 HydrophobicContact CD1-CD1 4.2Å; F263-L307 HydrophobicContact CD2-CB 4.4Å; F263-L307 HydrophobicContact CE1-CD1 3.66Å; F263-L307 HydrophobicContact CE2-CD1 4.16Å; F263-L307 HydrophobicContact CG-CB 4.48Å; F263-L307 HydrophobicContact CZ-CD1 3.61Å; I298-L307 HydrophobicContact CB-CD2 4.38Å; I298-L307 HydrophobicContact CD1-CD2 4.13Å; I298-L307 HydrophobicContact CG1-CD2 3.87Å; I298-L307 HydrophobicContact CG2-CD1 4.2Å; I298-L307 HydrophobicContact CG2-CD2 3.83Å; N302-L307 HydrophobicContact CB-CD1 4.44Å; N302-L307 HydrophobicContact CB-CD2 3.77Å; N302-L307 HydrophobicContact CB-CG 4.19Å; A303-L307 PolarHBondContact O-N 3.13Å; V304-L307 WeakPolarHBondContact O-CB 3.41Å; V304-L307 PolarHBondContact O-N 3.45Å; E305-L307 VanDerWaalsContact C-N 3.32Å; E305-L307 PolarHBondContact O-N 3.29Å; L307-Q309 VanDerWaalsContact C-N 3.31Å; L307-Q309 PolarHBondContact O-N 2.68Å; L307-L310 HydrophobicContact CD2-CD2 4.35Å; L307-L310 WeakPolarHBondContact O-CB 3.48Å; L307-L310 PolarHBondContact O-N 2.83Å; L307-L310 VanDerWaalsContact O-N 3.16Å; L307-F311 HydrophobicContact CB-CE2 4.29Å; L307-F311 WeakPolarHBondContact O-CD2 3.22Å; L307-F311 PolarHBondContact O-N 3.06Å
308	V	92.4	Very high	94.3	Very high	27 Å²	27	61.8 Å²	61.8	16%	0.164	36%	0.36	C	S	.	.	H	α-helix	trans	-57.4	-44.9	171.5	166.4	0	0	0	0	111.2	F263 H264 V304 E305 S312	F263-V308 HydrophobicContact CB-CG2 3.92Å; H264-V308 VanDerWaalsContact CE1-CG1 3.49Å; H264-V308 WeakPolarHBondContact CE1-CG1 3.35Å; V304-V308 PolarHBondContact O-N 2.72Å; V304-V308 VanDerWaalsContact O-N 3.09Å; E305-V308 PolarHBondContact O-N 3.34Å; V308-S312 PolarHBondContact O-N 3.46Å; V308-S312 PolarHBondContact O-OG 2.73Å
309	Q	93.3	Very high	94.2	Very high	132 Å²	132	63.8 Å²	63.8	62%	0.617	37%	0.373	S	S	*	.	H	α-helix	trans	-66.1	-39.7	174.9	-173.9	177	-5	0	0	112.3	E305 L307 S312 T313	E305-Q309 PolarHBondContact O-N 2.75Å; E305-Q309 VanDerWaalsContact O-N 3.15Å; L307-Q309 VanDerWaalsContact C-N 3.31Å; L307-Q309 PolarHBondContact O-N 2.68Å; Q309-S312 PolarHBondContact O-N 3.4Å; Q309-T313 HydrophobicContact CG-CG2 4.31Å; Q309-T313 WeakPolarHBondContact O-CB 3.41Å; Q309-T313 WeakPolarHBondContact O-CG2 3.48Å; Q309-T313 PolarHBondContact O-N 3.23Å; Q309-T313 VanDerWaalsContact O-N 3.15Å; Q309-T313 PolarHBondContact O-OG1 2.96Å
310	L	96	Very high	94.2	Very high	38 Å²	38	65.6 Å²	65.6	20%	0.199	39%	0.393	C	S	.	.	H	α-helix	trans	-57.8	-53.2	178.6	-176	72.9	0	0	0	111.6	Y296 I298 S306 L307 S312 T313 V314	Y296-L310 HydrophobicContact CD1-CD2 4.24Å; Y296-L310 HydrophobicContact CD1-CG 4.28Å; I298-L310 HydrophobicContact CD1-CD2 3.95Å; I298-L310 HydrophobicContact CG1-CD2 3.65Å; S306-L310 WeakPolarHBondContact O-CB 3.44Å; S306-L310 PolarHBondContact O-N 3.29Å; L307-L310 HydrophobicContact CD2-CD2 4.35Å; L307-L310 WeakPolarHBondContact O-CB 3.48Å; L307-L310 PolarHBondContact O-N 2.83Å; L307-L310 VanDerWaalsContact O-N 3.16Å; L310-S312 PolarHBondContact O-N 3.49Å; L310-T313 PolarHBondContact O-N 3.01Å; L310-T313 VanDerWaalsContact O-N 3.12Å; L310-T313 PolarHBondContact O-OG1 3.11Å; L310-V314 HydrophobicContact CD1-CB 4.14Å; L310-V314 HydrophobicContact CD1-CG2 3.63Å; L310-V314 HydrophobicContact CG-CG2 4.49Å; L310-V314 WeakPolarHBondContact O-CB 3.34Å; L310-V314 PolarHBondContact O-N 3.37Å
311	F	95	Very high	94.4	Very high	11 Å²	11	66.7 Å²	66.7	5%	0.048	40%	0.395	C	S	.	.	H	α-helix	trans	-64.5	-24.8	179.6	-64.2	-58.8	0	0	0	113.4	P260 F263 W280 Y296 I298 L307	P260-F311 HydrophobicContact CB-CB 4.15Å; P260-F311 HydrophobicContact CB-CD2 3.81Å; P260-F311 HydrophobicContact CB-CE2 4.38Å; P260-F311 HydrophobicContact CB-CG 3.96Å; P260-F311 HydrophobicContact CG-CB 4.13Å; P260-F311 HydrophobicContact CG-CD1 3.91Å; P260-F311 HydrophobicContact CG-CD2 3.9Å; P260-F311 HydrophobicContact CG-CE1 4.28Å; P260-F311 HydrophobicContact CG-CE2 4.27Å; P260-F311 HydrophobicContact CG-CG 3.71Å; P260-F311 HydrophobicContact CG-CZ 4.44Å; F263-F311 HydrophobicContact CD2-CD2 4.41Å; F263-F311 AromaticContact CD2-CE2 3.67Å; F263-F311 HydrophobicContact CD2-CE2 3.67Å; F263-F311 AromaticContact CE2-CE2 3.69Å; F263-F311 HydrophobicContact CE2-CE2 3.69Å; F263-F311 HydrophobicContact CE2-CZ 4.22Å; W280-F311 HydrophobicContact CH2-CD1 4.23Å; W280-F311 HydrophobicContact CH2-CE1 4.23Å; W280-F311 HydrophobicContact CZ2-CD1 4.12Å; W280-F311 AromaticContact CZ2-CE1 3.67Å; W280-F311 HydrophobicContact CZ2-CE1 3.67Å; W280-F311 HydrophobicContact CZ2-CZ 4.37Å; Y296-F311 HydrophobicContact CD1-CD1 4.14Å; Y296-F311 HydrophobicContact CD1-CE1 4.1Å; Y296-F311 HydrophobicContact CD2-CD1 4.31Å; Y296-F311 AromaticContact CD2-CE1 3.72Å; Y296-F311 HydrophobicContact CD2-CE1 3.72Å; Y296-F311 AromaticContact CE1-CD1 3.8Å; Y296-F311 HydrophobicContact CE1-CD1 3.8Å; Y296-F311 HydrophobicContact CE1-CE1 4.14Å; Y296-F311 HydrophobicContact CE2-CD1 4Å; Y296-F311 AromaticContact CE2-CE1 3.79Å; Y296-F311 HydrophobicContact CE2-CE1 3.79Å; Y296-F311 HydrophobicContact CG-CD1 4.38Å; Y296-F311 AromaticContact CG-CE1 3.89Å; Y296-F311 HydrophobicContact CG-CE1 3.89Å; Y296-F311 AromaticContact CZ-CD1 3.73Å; Y296-F311 AromaticContact CZ-CE1 3.99Å; I298-F311 HydrophobicContact CD1-CE1 4.05Å; I298-F311 HydrophobicContact CD1-CE2 4.33Å; I298-F311 HydrophobicContact CD1-CZ 3.53Å; L307-F311 HydrophobicContact CB-CE2 4.29Å; L307-F311 WeakPolarHBondContact O-CD2 3.22Å; L307-F311 PolarHBondContact O-N 3.06Å
312	S	91.9	Very high	94.6	Very high	88 Å²	88	63.1 Å²	63.1	62%	0.615	37%	0.366	S	S	*	.	H	α-helix	trans	-81.1	-17.6	177	-55.8	0	0	0	0	113.8	V308 Q309 L310	V308-S312 PolarHBondContact O-N 3.46Å; V308-S312 PolarHBondContact O-OG 2.73Å; Q309-S312 PolarHBondContact O-N 3.4Å; L310-S312 PolarHBondContact O-N 3.49Å
313	T	93.8	Very high	94.7	Very high	98 Å²	98	62.7 Å²	62.7	60%	0.601	37%	0.367	S	S	*	.	H	α-helix	trans	-124	-25.8	-169.6	55	0	0	0	0	114.5	Q309 L310	Q309-T313 HydrophobicContact CG-CG2 4.31Å; Q309-T313 WeakPolarHBondContact O-CB 3.41Å; Q309-T313 WeakPolarHBondContact O-CG2 3.48Å; Q309-T313 PolarHBondContact O-N 3.23Å; Q309-T313 VanDerWaalsContact O-N 3.15Å; Q309-T313 PolarHBondContact O-OG1 2.96Å; L310-T313 PolarHBondContact O-N 3.01Å; L310-T313 VanDerWaalsContact O-N 3.12Å; L310-T313 PolarHBondContact O-OG1 3.11Å
314	V	95.3	Very high	94.8	Very high	65 Å²	65	69.1 Å²	69.1	39%	0.394	38%	0.384	S	S	.	.			trans	-104.6	123.2	-177.6	178	0	0	0	0	110.7	Y296 L310	Y296-V314 HydrophobicContact CD1-CG1 4.39Å; Y296-V314 HydrophobicContact CE1-CB 4.44Å; Y296-V314 HydrophobicContact CE1-CG1 4.36Å; L310-V314 HydrophobicContact CD1-CB 4.14Å; L310-V314 HydrophobicContact CD1-CG2 3.63Å; L310-V314 HydrophobicContact CG-CG2 4.49Å; L310-V314 WeakPolarHBondContact O-CB 3.34Å; L310-V314 PolarHBondContact O-N 3.37Å
315	S	94.8	Very high	95	Very high	82 Å²	82	73 Å²	73	57%	0.573	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-91.2	139	172.2	53.9	0	0	0	0	111.5	Q317	S315-Q317 PolarHBondContact O-N 3.06Å; S315-Q317 PolarHBondContact O-NE2 2.91Å; S315-Q317 PolarHBondContact OG-NE2 3.16Å
316	V	96.9	Very high	95.3	Very high	17 Å²	17	67.6 Å²	67.6	10%	0.103	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-60.3	126.1	175.7	-178.8	0	0	0	0	110.2	Y287 P295 Y296 Y318 L334	Y287-V316 HydrophobicContact CD2-CG1 3.98Å; Y287-V316 HydrophobicContact CE2-CG1 3.47Å; Y287-V316 VanDerWaalsContact CE2-CG1 3.47Å; P295-V316 HydrophobicContact CB-CG1 3.74Å; P295-V316 HydrophobicContact CB-CG2 4.13Å; Y296-V316 HydrophobicContact CE1-CG2 4.48Å; Y296-V316 HydrophobicContact CE2-CG2 3.75Å; Y296-V316 WeakPolarHBondContact OH-CG2 3.29Å; V316-Y318 HydrophobicContact CB-CE2 3.77Å; V316-Y318 HydrophobicContact CG1-CD2 4.34Å; V316-Y318 HydrophobicContact CG1-CE1 4.02Å; V316-Y318 HydrophobicContact CG1-CE2 3.73Å; V316-Y318 VanDerWaalsContact O-CD2 3.29Å; V316-Y318 WeakPolarHBondContact O-CD2 3.46Å; V316-Y318 VanDerWaalsContact O-CE2 3.28Å; V316-Y318 WeakPolarHBondContact O-CE2 3.49Å; V316-L334 HydrophobicContact CG1-CD1 4.18Å; V316-L334 HydrophobicContact CG2-CB 4.48Å; V316-L334 HydrophobicContact CG2-CD1 4.28Å
317	Q	96.9	Very high	95.4	Very high	116 Å²	116	65.9 Å²	65.9	54%	0.542	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-89.4	123.9	177.3	-59.3	-55.1	-55.5	0	0	110	Y287 S315	Y287-Q317 WeakPolarHBondContact CE2-O 3.4Å; Y287-Q317 PolarHBondContact OH-O 3.3Å; S315-Q317 PolarHBondContact O-N 3.06Å; S315-Q317 PolarHBondContact O-NE2 2.91Å; S315-Q317 PolarHBondContact OG-NE2 3.16Å
318	Y	96.8	Very high	95.6	Very high	45 Å²	45	68 Å²	68	18%	0.176	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-103.1	141.4	-179.5	-64.5	-87.9	0	0	0	110.4	Y287 V316 W322 V327 L330 R331	Y287-Y318 HydrophobicContact CD2-CE1 4.44Å; Y287-Y318 HydrophobicContact CE2-CD1 4.46Å; Y287-Y318 HydrophobicContact CE2-CE1 4.49Å; V316-Y318 HydrophobicContact CB-CE2 3.77Å; V316-Y318 HydrophobicContact CG1-CD2 4.34Å; V316-Y318 HydrophobicContact CG1-CE1 4.02Å; V316-Y318 HydrophobicContact CG1-CE2 3.73Å; V316-Y318 VanDerWaalsContact O-CD2 3.29Å; V316-Y318 WeakPolarHBondContact O-CD2 3.46Å; V316-Y318 VanDerWaalsContact O-CE2 3.28Å; V316-Y318 WeakPolarHBondContact O-CE2 3.49Å; Y318-W322 HydrophobicContact CD1-CE3 4.21Å; Y318-W322 AromaticContact CD1-CZ3 3.99Å; Y318-W322 HydrophobicContact CD1-CZ3 3.99Å; Y318-V327 HydrophobicContact CD1-CB 4.45Å; Y318-V327 HydrophobicContact CD1-CG1 3.96Å; Y318-V327 HydrophobicContact CD1-CG2 4.25Å; Y318-V327 HydrophobicContact CD2-CG1 4.45Å; Y318-V327 HydrophobicContact CG-CG1 3.89Å; Y318-V327 HydrophobicContact CG-CG2 4.49Å; Y318-L330 HydrophobicContact CE1-CB 3.73Å; Y318-L330 HydrophobicContact CE1-CD1 4.32Å; Y318-R331 HydrophobicContact CE1-CG 4.22Å; Y318-R331 HydrophobicContact CE2-CG 3.73Å; Y318-R331 WeakPolarHBondContact OH-CG 3.09Å
319	V	94.4	Very high	95.8	Very high	44 Å²	44	66.8 Å²	66.8	27%	0.267	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-74.4	128.3	-179.1	-170.5	0	0	0	0	109.4	R291 T321 W322	R291-V319 HydrophobicContact CG-CG2 4.47Å; V319-T321 VanDerWaalsContact CG1-OG1 3.31Å; V319-T321 WeakPolarHBondContact CG1-OG1 3.25Å; V319-T321 PolarHBondContact O-N 2.73Å; V319-T321 VanDerWaalsContact O-N 3.08Å; V319-W322 HydrophobicContact CB-CD2 3.74Å; V319-W322 HydrophobicContact CB-CE3 4.24Å; V319-W322 HydrophobicContact CB-CG 4.02Å; V319-W322 HydrophobicContact CB-CZ2 4.18Å; V319-W322 HydrophobicContact CG2-CD2 4.04Å; V319-W322 HydrophobicContact CG2-CE3 4.37Å; V319-W322 HydrophobicContact CG2-CH2 3.94Å; V319-W322 HydrophobicContact CG2-CZ2 3.53Å; V319-W322 HydrophobicContact CG2-CZ3 4.33Å; V319-W322 WeakPolarHBondContact O-CB 3.41Å; V319-W322 PolarHBondContact O-N 3.09Å; V319-W322 VanDerWaalsContact O-N 3.07Å
320	P	93.6	Very high	96.1	Very high	130 Å²	130	60.5 Å²	60.5	84%	0.844	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.4	-176.6	-25.7	35.3	0	0	0	115.8
321	T	95.3	Very high	96.2	Very high	122 Å²	122	65.4 Å²	65.4	75%	0.748	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-12.7	177	56	0	0	0	0	113.4	V319	V319-T321 VanDerWaalsContact CG1-OG1 3.31Å; V319-T321 WeakPolarHBondContact CG1-OG1 3.25Å; V319-T321 PolarHBondContact O-N 2.73Å; V319-T321 VanDerWaalsContact O-N 3.08Å
322	W	97.1	Very high	96.3	Very high	29 Å²	29	69.2 Å²	69.2	11%	0.11	38%	0.377	C	S	.	.	S	Bend	trans	-72.3	149.1	177.9	-65.5	-21.7	0	0	0	111.5	E191 Y287 L290 R291 Y318 V319 V327 L330	E191-W322 WeakPolarHBondContact OE1-CA 3.33Å; Y287-W322 AromaticContact CD2-CH2 3.89Å; Y287-W322 HydrophobicContact CD2-CH2 3.89Å; Y287-W322 AromaticContact CD2-CZ3 3.89Å; Y287-W322 HydrophobicContact CD2-CZ3 3.89Å; Y287-W322 AromaticContact CE2-CH2 3.8Å; Y287-W322 HydrophobicContact CE2-CH2 3.8Å; Y287-W322 AromaticContact CE2-CZ3 3.78Å; Y287-W322 HydrophobicContact CE2-CZ3 3.78Å; Y287-W322 HydrophobicContact CG-CH2 4.36Å; L290-W322 HydrophobicContact CB-CH2 4.17Å; L290-W322 HydrophobicContact CB-CZ2 3.52Å; R291-W322 HydrophobicContact CB-CH2 4.07Å; R291-W322 HydrophobicContact CB-CZ2 3.9Å; R291-W322 HydrophobicContact CG-CZ2 4.37Å; Y318-W322 HydrophobicContact CD1-CE3 4.21Å; Y318-W322 AromaticContact CD1-CZ3 3.99Å; Y318-W322 HydrophobicContact CD1-CZ3 3.99Å; V319-W322 HydrophobicContact CB-CD2 3.74Å; V319-W322 HydrophobicContact CB-CE3 4.24Å; V319-W322 HydrophobicContact CB-CG 4.02Å; V319-W322 HydrophobicContact CB-CZ2 4.18Å; V319-W322 HydrophobicContact CG2-CD2 4.04Å; V319-W322 HydrophobicContact CG2-CE3 4.37Å; V319-W322 HydrophobicContact CG2-CH2 3.94Å; V319-W322 HydrophobicContact CG2-CZ2 3.53Å; V319-W322 HydrophobicContact CG2-CZ3 4.33Å; V319-W322 WeakPolarHBondContact O-CB 3.41Å; V319-W322 PolarHBondContact O-N 3.09Å; V319-W322 VanDerWaalsContact O-N 3.07Å; W322-V327 HydrophobicContact CB-CG2 3.83Å; W322-V327 HydrophobicContact CE3-CG2 4.24Å; W322-L330 HydrophobicContact CE3-CD1 4.3Å; W322-L330 HydrophobicContact CZ3-CD1 4.01Å
323	S	97.3	Very high	96.6	Very high	39 Å²	39	65 Å²	65	27%	0.273	35%	0.348	S	S	.	.			trans	-60	147.7	176.5	75.4	0	0	0	0	111.7	E191 E325 M326 V327	E191-S323 PolarHBondContact OE1-N 3.29Å; E191-S323 WeakPolarHBondContact OE2-CB 3.26Å; E191-S323 PolarHBondContact OE2-N 2.89Å; E191-S323 VanDerWaalsContact OE2-N 3.12Å; E191-S323 PolarHBondContact OE2-OG 3.22Å; S323-E325 PolarHBondContact O-N 3.39Å; S323-M326 PolarHBondContact O-N 3.49Å; S323-M326 VanDerWaalsContact OG-CB 3.31Å; S323-M326 WeakPolarHBondContact OG-CB 3.4Å; S323-M326 PolarHBondContact OG-N 3.46Å; S323-V327 WeakPolarHBondContact O-CG2 3.48Å; S323-V327 PolarHBondContact O-N 3.16Å
324	K	96.8	Very high	96.9	Very high	190 Å²	190	60.8 Å²	60.8	83%	0.826	32%	0.322	S	S	*	.	H	α-helix	trans	-59.7	-30.8	176	-66.4	-179.7	-178.2	174.9	0	111.9	A328	K324-A328 VanDerWaalsContact O-CB 3.27Å; K324-A328 WeakPolarHBondContact O-CB 3.48Å; K324-A328 PolarHBondContact O-N 3.34Å
325	E	96.4	Very high	97	Very high	93 Å²	93	59.4 Å²	59.4	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-69.2	-50.2	178	-70.7	170.9	-160.2	0	0	111.7	S323 V327 A328 L329 S353	S323-E325 PolarHBondContact O-N 3.39Å; E325-V327 VanDerWaalsContact C-N 3.35Å; E325-V327 PolarHBondContact O-N 2.66Å; E325-A328 PolarHBondContact O-N 3.2Å; E325-L329 PolarHBondContact O-N 3.28Å; E325-S353 WeakPolarHBondContact O-CB 3.22Å
326	M	97.6	Very high	97.1	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-61.5	-43.2	176	-178.8	57.2	74.9	0	0	111.4	E191 V194 R195 I198 L290 S323 A328 L329 L330	E191-M326 HydrophobicContact CB-CE 4.1Å; E191-M326 HydrophobicContact CG-CB 4.5Å; E191-M326 HydrophobicContact CG-CE 4.48Å; E191-M326 HydrophobicContact CG-CG 4.34Å; E191-M326 WeakPolarHBondContact O-CE 3.29Å; E191-M326 WeakPolarHBondContact OE2-CB 3.44Å; V194-M326 HydrophobicContact CB-CE 4.41Å; V194-M326 HydrophobicContact CG1-CE 4.45Å; R195-M326 HydrophobicContact CB-CE 4.02Å; I198-M326 HydrophobicContact CD1-SD 4.25Å; L290-M326 HydrophobicContact CD1-CE 4.24Å; L290-M326 HydrophobicContact CD1-CG 3.6Å; L290-M326 HydrophobicContact CD1-SD 3.78Å; S323-M326 PolarHBondContact O-N 3.49Å; S323-M326 VanDerWaalsContact OG-CB 3.31Å; S323-M326 WeakPolarHBondContact OG-CB 3.4Å; S323-M326 PolarHBondContact OG-N 3.46Å; M326-A328 VanDerWaalsContact C-N 3.32Å; M326-A328 PolarHBondContact O-N 3.49Å; M326-L329 PolarHBondContact O-N 2.84Å; M326-L330 HydrophobicContact CG-CD1 4.02Å; M326-L330 HydrophobicContact CG-CG 4.39Å; M326-L330 WeakPolarHBondContact O-CB 3.45Å; M326-L330 WeakPolarHBondContact O-CG 3.09Å; M326-L330 PolarHBondContact O-N 3.08Å; M326-L330 HydrophobicContact SD-CD1 4.16Å; M326-L330 HydrophobicContact SD-CG 4.02Å
327	V	98.1	Very high	97	Very high	14 Å²	14	60.2 Å²	60.2	9%	0.085	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-36.9	175.6	173.2	0	0	0	0	112	Y318 W322 S323 E325 R331	Y318-V327 HydrophobicContact CD1-CB 4.45Å; Y318-V327 HydrophobicContact CD1-CG1 3.96Å; Y318-V327 HydrophobicContact CD1-CG2 4.25Å; Y318-V327 HydrophobicContact CD2-CG1 4.45Å; Y318-V327 HydrophobicContact CG-CG1 3.89Å; Y318-V327 HydrophobicContact CG-CG2 4.49Å; W322-V327 HydrophobicContact CB-CG2 3.83Å; W322-V327 HydrophobicContact CE3-CG2 4.24Å; S323-V327 WeakPolarHBondContact O-CG2 3.48Å; S323-V327 PolarHBondContact O-N 3.16Å; E325-V327 VanDerWaalsContact C-N 3.35Å; E325-V327 PolarHBondContact O-N 2.66Å; V327-R331 WeakPolarHBondContact O-CB 3.4Å; V327-R331 WeakPolarHBondContact O-CD 3.46Å; V327-R331 WeakPolarHBondContact O-CG 3.18Å; V327-R331 PolarHBondContact O-N 3.18Å; V327-R331 VanDerWaalsContact O-N 3.11Å
328	A	97.3	Very high	96.9	Very high	48 Å²	48	56 Å²	56	40%	0.397	30%	0.295	S	S	.	.	H	α-helix	trans	-66.9	-43.2	175.7	0	0	0	0	0	112	K324 E325 M326 R331 K332	K324-A328 VanDerWaalsContact O-CB 3.27Å; K324-A328 WeakPolarHBondContact O-CB 3.48Å; K324-A328 PolarHBondContact O-N 3.34Å; E325-A328 PolarHBondContact O-N 3.2Å; M326-A328 VanDerWaalsContact C-N 3.32Å; M326-A328 PolarHBondContact O-N 3.49Å; A328-R331 PolarHBondContact O-N 2.9Å; A328-K332 PolarHBondContact O-N 3.16Å
329	L	98.1	Very high	96.8	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-64.3	-49.8	177.8	-174.7	60.9	0	0	0	111.9	I198 E325 M326 R331 K332 L333 F342 M348 L354	I198-L329 HydrophobicContact CD1-CD2 3.92Å; I198-L329 HydrophobicContact CG2-CD2 4.21Å; E325-L329 PolarHBondContact O-N 3.28Å; M326-L329 PolarHBondContact O-N 2.84Å; L329-R331 VanDerWaalsContact C-N 3.29Å; L329-R331 PolarHBondContact O-N 2.77Å; L329-K332 WeakPolarHBondContact O-CB 3.48Å; L329-K332 PolarHBondContact O-N 3.32Å; L329-L333 HydrophobicContact CG-CD1 4.43Å; L329-L333 PolarHBondContact O-N 3.28Å; L329-F342 HydrophobicContact CD1-CD2 4.21Å; L329-F342 HydrophobicContact CD1-CE2 4.19Å; L329-M348 HydrophobicContact CD1-CE 3.99Å; L329-M348 HydrophobicContact CD1-SD 4.21Å; L329-L354 HydrophobicContact CD1-CD1 4.02Å; L329-L354 HydrophobicContact CD1-CG 4.48Å; L329-L354 HydrophobicContact CD2-CD1 4.22Å; L329-L354 HydrophobicContact CD2-CD2 3.93Å; L329-L354 HydrophobicContact CD2-CG 4.28Å
330	L	98.4	Very high	96.9	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-37.1	177.5	-70.1	173.3	0	0	0	112.1	A286 Y287 L290 Y318 W322 M326 K332 L333 L334	A286-L330 HydrophobicContact CB-CD2 3.73Å; Y287-L330 HydrophobicContact CD2-CD1 4.44Å; L290-L330 HydrophobicContact CD1-CD1 4.06Å; Y318-L330 HydrophobicContact CE1-CB 3.73Å; Y318-L330 HydrophobicContact CE1-CD1 4.32Å; W322-L330 HydrophobicContact CE3-CD1 4.3Å; W322-L330 HydrophobicContact CZ3-CD1 4.01Å; M326-L330 HydrophobicContact CG-CD1 4.02Å; M326-L330 HydrophobicContact CG-CG 4.39Å; M326-L330 WeakPolarHBondContact O-CB 3.45Å; M326-L330 WeakPolarHBondContact O-CG 3.09Å; M326-L330 PolarHBondContact O-N 3.08Å; M326-L330 HydrophobicContact SD-CD1 4.16Å; M326-L330 HydrophobicContact SD-CG 4.02Å; L330-K332 VanDerWaalsContact C-N 3.29Å; L330-K332 PolarHBondContact O-N 3.14Å; L330-L333 PolarHBondContact O-N 3.39Å; L330-L334 VanDerWaalsContact O-CB 3.24Å; L330-L334 WeakPolarHBondContact O-CB 3.34Å; L330-L334 WeakPolarHBondContact O-CG 3.31Å; L330-L334 PolarHBondContact O-N 3.28Å
331	R	98	Very high	97.1	Very high	141 Å²	141	59.2 Å²	59.2	53%	0.532	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-36.2	174	-78.2	170.8	-178.4	172.4	1.1	112.6	Y318 V327 A328 L329 L334 T335	Y318-R331 HydrophobicContact CE1-CG 4.22Å; Y318-R331 HydrophobicContact CE2-CG 3.73Å; Y318-R331 WeakPolarHBondContact OH-CG 3.09Å; V327-R331 WeakPolarHBondContact O-CB 3.4Å; V327-R331 WeakPolarHBondContact O-CD 3.46Å; V327-R331 WeakPolarHBondContact O-CG 3.18Å; V327-R331 PolarHBondContact O-N 3.18Å; V327-R331 VanDerWaalsContact O-N 3.11Å; A328-R331 PolarHBondContact O-N 2.9Å; L329-R331 VanDerWaalsContact C-N 3.29Å; L329-R331 PolarHBondContact O-N 2.77Å; R331-L334 CarbonylContact O-C 3.57Å; R331-T335 PolarHBondContact O-N 3.33Å; R331-T335 PolarHBondContact O-OG1 2.82Å
332	K	98.1	Very high	97.3	Very high	90 Å²	90	54.6 Å²	54.6	39%	0.391	27%	0.267	S	S	.	.	H	α-helix	trans	-73.3	-35.5	178.3	-79.3	-65.3	-161.2	168.4	0	113.2	A328 L329 L330 R341 F342	A328-K332 PolarHBondContact O-N 3.16Å; L329-K332 WeakPolarHBondContact O-CB 3.48Å; L329-K332 PolarHBondContact O-N 3.32Å; L330-K332 VanDerWaalsContact C-N 3.29Å; L330-K332 PolarHBondContact O-N 3.14Å; K332-R341 WeakPolarHBondContact O-CA 3.28Å; K332-R341 VanDerWaalsContact O-CG 3.25Å; K332-R341 WeakPolarHBondContact O-CG 3.22Å; K332-F342 HydrophobicContact CB-CB 4.48Å; K332-F342 HydrophobicContact CB-CD1 3.86Å; K332-F342 HydrophobicContact CB-CD2 3.58Å; K332-F342 HydrophobicContact CB-CE1 4.02Å; K332-F342 HydrophobicContact CB-CE2 3.71Å; K332-F342 HydrophobicContact CB-CG 3.68Å; K332-F342 HydrophobicContact CB-CZ 3.96Å; K332-F342 HydrophobicContact CD-CD1 3.88Å; K332-F342 HydrophobicContact CD-CE1 3.62Å; K332-F342 HydrophobicContact CD-CZ 4.06Å; K332-F342 HydrophobicContact CG-CD1 4.08Å; K332-F342 HydrophobicContact CG-CD2 4.25Å; K332-F342 HydrophobicContact CG-CE1 3.76Å; K332-F342 HydrophobicContact CG-CE2 3.91Å; K332-F342 HydrophobicContact CG-CG 4.36Å; K332-F342 HydrophobicContact CG-CZ 3.67Å; K332-F342 PolarHBondContact O-N 3.04Å; K332-F342 VanDerWaalsContact O-N 3.12Å
333	L	98.5	Very high	97.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-73.8	-39.9	172.2	-64.6	169	0	0	0	112	I198 W279 V282 L329 L330 T335 R341 F342 M348	I198-L333 HydrophobicContact CG2-CD1 4.12Å; W279-L333 HydrophobicContact CB-CD2 4.42Å; W279-L333 HydrophobicContact CE3-CD2 4.13Å; V282-L333 HydrophobicContact CG1-CD1 4.43Å; L329-L333 HydrophobicContact CG-CD1 4.43Å; L329-L333 PolarHBondContact O-N 3.28Å; L330-L333 PolarHBondContact O-N 3.39Å; L333-T335 VanDerWaalsContact C-N 3.27Å; L333-T335 PolarHBondContact O-N 2.79Å; L333-R341 VanDerWaalsContact O-CD 3.22Å; L333-R341 WeakPolarHBondContact O-CD 3.45Å; L333-R341 VanDerWaalsContact O-CG 3.23Å; L333-R341 WeakPolarHBondContact O-CG 3.34Å; L333-F342 HydrophobicContact CD2-CB 4.2Å; L333-M348 HydrophobicContact CD2-SD 4.32Å
334	L	98.5	Very high	97.2	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.052	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	30.5	178	-61.4	174.2	0	0	0	113	W280 V284 Y287 P295 V316 L330 R331	W280-L334 HydrophobicContact CD2-CD2 4.23Å; W280-L334 HydrophobicContact CE3-CD2 4.3Å; W280-L334 HydrophobicContact CH2-CD2 4.45Å; W280-L334 HydrophobicContact CZ2-CD2 4.36Å; W280-L334 VanDerWaalsContact CZ3-C 3.5Å; W280-L334 HydrophobicContact CZ3-CB 4.35Å; W280-L334 HydrophobicContact CZ3-CD2 4.42Å; W280-L334 WeakPolarHBondContact CZ3-O 3.46Å; V284-L334 HydrophobicContact CG2-CD2 3.7Å; Y287-L334 HydrophobicContact CD2-CD1 4.28Å; P295-L334 HydrophobicContact CB-CD1 4.31Å; P295-L334 HydrophobicContact CG-CD1 4.17Å; V316-L334 HydrophobicContact CG1-CD1 4.18Å; V316-L334 HydrophobicContact CG2-CB 4.48Å; V316-L334 HydrophobicContact CG2-CD1 4.28Å; L330-L334 VanDerWaalsContact O-CB 3.24Å; L330-L334 WeakPolarHBondContact O-CB 3.34Å; L330-L334 WeakPolarHBondContact O-CG 3.31Å; L330-L334 PolarHBondContact O-N 3.28Å; R331-L334 CarbonylContact O-C 3.57Å
335	T	98	Very high	97.3	Very high	36 Å²	36	46 Å²	46	22%	0.221	23%	0.233	C	C	.	.			trans	-79.6	123.5	171.2	-68.1	0	0	0	0	109.5	R331 L333 H340 R341	R331-T335 PolarHBondContact O-N 3.33Å; R331-T335 PolarHBondContact O-OG1 2.82Å; L333-T335 VanDerWaalsContact C-N 3.27Å; L333-T335 PolarHBondContact O-N 2.79Å; T335-H340 HydrophobicContact CG2-CB 3.78Å; T335-R341 PolarHBondContact O-NE 3.1Å; T335-R341 PolarHBondContact O-NH2 2.8Å
336	V	96.6	Very high	97.3	Very high	55 Å²	55	48.3 Å²	48.3	33%	0.333	24%	0.244	S	C	.	.	S	Bend	trans	-64.3	-45.1	-174.2	172.7	0	0	0	0	112.2	P260 W280 P338 R341	P260-V336 HydrophobicContact CB-CG1 4.15Å; P260-V336 HydrophobicContact CG-CG1 4.08Å; W280-V336 HydrophobicContact CH2-CG2 4.24Å; W280-V336 HydrophobicContact CZ3-CG2 4.22Å; V336-P338 VanDerWaalsContact O-CD 3.31Å; V336-P338 WeakPolarHBondContact O-CD 3.27Å; V336-R341 PolarHBondContact O-NH2 2.84Å; V336-R341 VanDerWaalsContact O-NH2 3.15Å
337	N	95.4	Very high	97.3	Very high	60 Å²	60	50.3 Å²	50.3	32%	0.321	26%	0.255	S	S	.	.	S	Bend	trans	-71.8	116.6	172.3	-177.1	3.6	0	0	0	109.7	E339 H340 R341	N337-E339 PolarHBondContact ND2-OE2 2.99Å; N337-E339 PolarHBondContact O-N 2.74Å; N337-E339 PolarHBondContact OD1-N 3.24Å; N337-E339 VanDerWaalsContact OD1-N 3.1Å; N337-H340 PolarHBondContact O-N 3.43Å; N337-H340 VanDerWaalsContact O-N 3.12Å; N337-R341 PolarHBondContact O-N 2.91Å
338	P	95.6	Very high	97.2	Very high	28 Å²	28	49.7 Å²	49.7	18%	0.182	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-59.3	-30.7	178.5	25	-35.8	0	0	0	113.7	E261 E276 V336 H340 R341	E261-P338 HydrophobicContact CB-CG 4.48Å; E261-P338 HydrophobicContact CG-CG 4.43Å; E276-P338 HydrophobicContact CB-CB 3.92Å; E276-P338 HydrophobicContact CG-CB 3.62Å; V336-P338 VanDerWaalsContact O-CD 3.31Å; V336-P338 WeakPolarHBondContact O-CD 3.27Å; P338-H340 PolarHBondContact O-N 3.03Å; P338-H340 VanDerWaalsContact O-N 3.08Å; P338-R341 WeakPolarHBondContact O-CB 3.4Å; P338-R341 PolarHBondContact O-N 2.74Å; P338-R341 VanDerWaalsContact O-N 3.16Å
339	E	94.4	Very high	97.2	Very high	161 Å²	161	51.8 Å²	51.8	75%	0.752	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-66.3	-10.2	178	-56.9	178.3	142.1	0	0	114.2	N337	N337-E339 PolarHBondContact ND2-OE2 2.99Å; N337-E339 PolarHBondContact O-N 2.74Å; N337-E339 PolarHBondContact OD1-N 3.24Å; N337-E339 VanDerWaalsContact OD1-N 3.1Å
340	H	96.4	Very high	97.1	Very high	119 Å²	119	56.5 Å²	56.5	55%	0.551	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-119.8	-0.7	179.2	-61.5	-15.1	0	0	0	112.6	T335 N337 P338	T335-H340 HydrophobicContact CG2-CB 3.78Å; N337-H340 PolarHBondContact O-N 3.43Å; N337-H340 VanDerWaalsContact O-N 3.12Å; P338-H340 PolarHBondContact O-N 3.03Å; P338-H340 VanDerWaalsContact O-N 3.08Å
341	R	98	Very high	96.9	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.026	28%	0.283	C	S	.	.	S	Bend	trans	-82	148.9	177.1	-162.6	-174	-61.1	149.5	5.2	109.6	E261 E276 K332 L333 T335 V336 N337 P338 S343	E261-R341 IonicContact OE1-CZ 3.54Å; E261-R341 IonicContact OE1-NH1 2.75Å; E261-R341 PolarHBondContact OE1-NH1 2.96Å; E261-R341 IonicContact OE1-NH2 3.24Å; E261-R341 PolarHBondContact OE1-NH2 3.3Å; E261-R341 IonicContact OE2-CZ 2.59Å; E261-R341 IonicContact OE2-NH1 2.73Å; E261-R341 IonicContact OE2-NH2 3.48Å; E261-R341 PolarHBondContact OE2-NH2 3.14Å; E276-R341 PolarHBondContact O-NH1 3.16Å; K332-R341 WeakPolarHBondContact O-CA 3.28Å; K332-R341 VanDerWaalsContact O-CG 3.25Å; K332-R341 WeakPolarHBondContact O-CG 3.22Å; L333-R341 VanDerWaalsContact O-CD 3.22Å; L333-R341 WeakPolarHBondContact O-CD 3.45Å; L333-R341 VanDerWaalsContact O-CG 3.23Å; L333-R341 WeakPolarHBondContact O-CG 3.34Å; T335-R341 PolarHBondContact O-NE 3.1Å; T335-R341 PolarHBondContact O-NH2 2.8Å; V336-R341 PolarHBondContact O-NH2 2.84Å; V336-R341 VanDerWaalsContact O-NH2 3.15Å; N337-R341 PolarHBondContact O-N 2.91Å; P338-R341 WeakPolarHBondContact O-CB 3.4Å; P338-R341 PolarHBondContact O-N 2.74Å; P338-R341 VanDerWaalsContact O-N 3.16Å; R341-S343 PolarHBondContact O-N 3.46Å
342	F	97.8	Very high	96.7	Very high	24 Å²	24	55.5 Å²	55.5	11%	0.105	29%	0.293	C	S	.	.			trans	-67	127.5	165.1	-73.8	-3.1	0	0	0	109.1	W279 L329 K332 L333 D347 M348 A351	W279-F342 VanDerWaalsContact CB-O 3.26Å; W279-F342 WeakPolarHBondContact CB-O 3.3Å; L329-F342 HydrophobicContact CD1-CD2 4.21Å; L329-F342 HydrophobicContact CD1-CE2 4.19Å; K332-F342 HydrophobicContact CB-CB 4.48Å; K332-F342 HydrophobicContact CB-CD1 3.86Å; K332-F342 HydrophobicContact CB-CD2 3.58Å; K332-F342 HydrophobicContact CB-CE1 4.02Å; K332-F342 HydrophobicContact CB-CE2 3.71Å; K332-F342 HydrophobicContact CB-CG 3.68Å; K332-F342 HydrophobicContact CB-CZ 3.96Å; K332-F342 HydrophobicContact CD-CD1 3.88Å; K332-F342 HydrophobicContact CD-CE1 3.62Å; K332-F342 HydrophobicContact CD-CZ 4.06Å; K332-F342 HydrophobicContact CG-CD1 4.08Å; K332-F342 HydrophobicContact CG-CD2 4.25Å; K332-F342 HydrophobicContact CG-CE1 3.76Å; K332-F342 HydrophobicContact CG-CE2 3.91Å; K332-F342 HydrophobicContact CG-CG 4.36Å; K332-F342 HydrophobicContact CG-CZ 3.67Å; K332-F342 PolarHBondContact O-N 3.04Å; K332-F342 VanDerWaalsContact O-N 3.12Å; L333-F342 HydrophobicContact CD2-CB 4.2Å; F342-D347 HydrophobicContact CB-CB 3.82Å; F342-D347 HydrophobicContact CD1-CB 3.61Å; F342-D347 HydrophobicContact CD2-CB 4.21Å; F342-D347 HydrophobicContact CE1-CB 4.11Å; F342-D347 HydrophobicContact CG-CB 3.64Å; F342-M348 HydrophobicContact CB-SD 4.23Å; F342-M348 HydrophobicContact CD2-SD 3.76Å; F342-M348 HydrophobicContact CG-SD 4.46Å; F342-A351 HydrophobicContact CE2-CB 3.75Å; F342-A351 HydrophobicContact CZ-CB 4.15Å
343	S	96.9	Very high	96.4	Very high	29 Å²	29	51.6 Å²	51.6	20%	0.203	28%	0.277	C	S	.	.			trans	-145	14.3	-171.8	63.8	0	0	0	0	114.2	W279 R341 D347	W279-S343 VanDerWaalsContact CE2-C 3.42Å; W279-S343 PolarHBondContact NE1-O 3.48Å; W279-S343 VanDerWaalsContact NE1-O 3.14Å; R341-S343 PolarHBondContact O-N 3.46Å; S343-D347 PolarHBondContact N-OD2 2.98Å
344	S	97.3	Very high	96.2	Very high	25 Å²	25	51.6 Å²	51.6	18%	0.175	28%	0.278	C	S	.	.	S	Bend	trans	-149	158.8	179.7	66.4	0	0	0	0	111.1	W279 Q346 D347	W279-S344 VanDerWaalsContact CH2-C 3.43Å; S344-Q346 PolarHBondContact O-N 2.88Å; S344-D347 PolarHBondContact N-OD2 2.88Å; S344-D347 VanDerWaalsContact N-OD2 3.08Å; S344-D347 WeakPolarHBondContact O-CB 3.34Å; S344-D347 PolarHBondContact O-N 3.2Å; S344-D347 PolarHBondContact OG-N 3.16Å; S344-D347 VanDerWaalsContact OG-N 3.16Å; S344-D347 PolarHBondContact OG-OD2 2.96Å
345	L	97.3	Very high	95.9	Very high	24 Å²	24	55.1 Å²	55.1	13%	0.126	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-33.1	171	-178.4	62.5	0	0	0	112.3	A202 L203 D206 D347 M348 Q349 W359	A202-L345 HydrophobicContact CB-CD1 4.43Å; L203-L345 HydrophobicContact CD2-CD1 3.88Å; L203-L345 HydrophobicContact CD2-CD2 3.83Å; L203-L345 HydrophobicContact CG-CD1 4.43Å; D206-L345 HydrophobicContact CB-CB 3.73Å; D206-L345 HydrophobicContact CB-CD2 4.48Å; D206-L345 VanDerWaalsContact OD1-CB 3.29Å; D206-L345 WeakPolarHBondContact OD1-CB 3.41Å; D206-L345 PolarHBondContact OD1-N 2.78Å; L345-D347 PolarHBondContact O-N 2.73Å; L345-M348 WeakPolarHBondContact O-CB 3.47Å; L345-M348 PolarHBondContact O-N 3.08Å; L345-M348 VanDerWaalsContact O-N 3.11Å; L345-Q349 HydrophobicContact CD1-CG 4.32Å; L345-Q349 HydrophobicContact CG-CG 4.19Å; L345-Q349 WeakPolarHBondContact O-CG 3.33Å; L345-Q349 PolarHBondContact O-N 3.25Å; L345-W359 HydrophobicContact CD1-CD2 4.43Å; L345-W359 HydrophobicContact CD1-CE3 3.68Å; L345-W359 HydrophobicContact CD1-CH2 4.03Å; L345-W359 HydrophobicContact CD1-CZ3 3.45Å; L345-W359 VanDerWaalsContact CD1-CZ3 3.45Å
346	Q	97.1	Very high	95.6	Very high	141 Å²	141	58.9 Å²	58.9	66%	0.659	32%	0.323	S	S	*	.	H	α-helix	trans	-62.7	-39.1	178	-171.4	176.9	15.3	0	0	112.5	S344 M348 Q349 T350	S344-Q346 PolarHBondContact O-N 2.88Å; Q346-M348 VanDerWaalsContact C-N 3.25Å; Q346-M348 PolarHBondContact O-N 2.79Å; Q346-Q349 PolarHBondContact O-N 3.22Å; Q346-T350 HydrophobicContact CG-CG2 4.49Å; Q346-T350 WeakPolarHBondContact O-CB 3.43Å; Q346-T350 WeakPolarHBondContact O-CG2 3.49Å; Q346-T350 PolarHBondContact O-N 2.95Å; Q346-T350 PolarHBondContact O-OG1 2.87Å
347	D	97	Very high	95.4	Very high	43 Å²	43	57.4 Å²	57.4	23%	0.23	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-39	173.8	-66.2	-51.8	0	0	0	111.5	F342 S343 S344 L345 T350 A351	F342-D347 HydrophobicContact CB-CB 3.82Å; F342-D347 HydrophobicContact CD1-CB 3.61Å; F342-D347 HydrophobicContact CD2-CB 4.21Å; F342-D347 HydrophobicContact CE1-CB 4.11Å; F342-D347 HydrophobicContact CG-CB 3.64Å; S343-D347 PolarHBondContact N-OD2 2.98Å; S344-D347 PolarHBondContact N-OD2 2.88Å; S344-D347 VanDerWaalsContact N-OD2 3.08Å; S344-D347 WeakPolarHBondContact O-CB 3.34Å; S344-D347 PolarHBondContact O-N 3.2Å; S344-D347 PolarHBondContact OG-N 3.16Å; S344-D347 VanDerWaalsContact OG-N 3.16Å; S344-D347 PolarHBondContact OG-OD2 2.96Å; L345-D347 PolarHBondContact O-N 2.73Å; D347-T350 PolarHBondContact O-OG1 3.42Å; D347-A351 PolarHBondContact O-N 3.04Å
348	M	97.1	Very high	95.4	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-73.1	-45	-179.9	-55.2	-63.1	-79.1	0	0	111.7	I198 A202 W279 L329 L333 F342 L345 Q346 T350 A351 L354 W359	I198-M348 HydrophobicContact CG2-CE 3.25Å; A202-M348 HydrophobicContact CB-CE 4.25Å; A202-M348 HydrophobicContact CB-CG 4.04Å; W279-M348 HydrophobicContact CE3-SD 4.41Å; W279-M348 HydrophobicContact CH2-CG 4.09Å; W279-M348 HydrophobicContact CZ3-CE 4.43Å; W279-M348 HydrophobicContact CZ3-CG 3.54Å; W279-M348 HydrophobicContact CZ3-SD 3.93Å; L329-M348 HydrophobicContact CD1-CE 3.99Å; L329-M348 HydrophobicContact CD1-SD 4.21Å; L333-M348 HydrophobicContact CD2-SD 4.32Å; F342-M348 HydrophobicContact CB-SD 4.23Å; F342-M348 HydrophobicContact CD2-SD 3.76Å; F342-M348 HydrophobicContact CG-SD 4.46Å; L345-M348 WeakPolarHBondContact O-CB 3.47Å; L345-M348 PolarHBondContact O-N 3.08Å; L345-M348 VanDerWaalsContact O-N 3.11Å; Q346-M348 VanDerWaalsContact C-N 3.25Å; Q346-M348 PolarHBondContact O-N 2.79Å; M348-T350 VanDerWaalsContact C-N 3.28Å; M348-T350 PolarHBondContact O-N 3.43Å; M348-A351 VanDerWaalsContact O-CB 3.27Å; M348-A351 WeakPolarHBondContact O-CB 3.35Å; M348-A351 PolarHBondContact O-N 3.34Å; M348-A351 VanDerWaalsContact O-N 3.16Å; M348-L354 HydrophobicContact CB-CD1 4.02Å; M348-L354 HydrophobicContact CE-CD1 3.85Å; M348-L354 WeakPolarHBondContact O-CD1 3.35Å; M348-W359 HydrophobicContact CB-CH2 3.67Å; M348-W359 HydrophobicContact CB-CZ2 3.92Å
349	Q	96.3	Very high	95.4	Very high	93 Å²	93	59.9 Å²	59.9	44%	0.435	32%	0.323	S	S	.	.	H	α-helix	trans	-63.5	-32.7	178.2	-73.5	176.1	-20	0	0	112.6	L345 Q346 W359	L345-Q349 HydrophobicContact CD1-CG 4.32Å; L345-Q349 HydrophobicContact CG-CG 4.19Å; L345-Q349 WeakPolarHBondContact O-CG 3.33Å; L345-Q349 PolarHBondContact O-N 3.25Å; Q346-Q349 PolarHBondContact O-N 3.22Å; Q349-W359 HydrophobicContact CG-CD2 3.92Å; Q349-W359 HydrophobicContact CG-CG 4.04Å; Q349-W359 HydrophobicContact CG-CZ2 4.15Å
350	T	95.4	Very high	95.4	Very high	100 Å²	100	58.2 Å²	58.2	61%	0.613	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-5	177.2	56.9	0	0	0	0	113.8	Q346 D347 M348 P352	Q346-T350 HydrophobicContact CG-CG2 4.49Å; Q346-T350 WeakPolarHBondContact O-CB 3.43Å; Q346-T350 WeakPolarHBondContact O-CG2 3.49Å; Q346-T350 PolarHBondContact O-N 2.95Å; Q346-T350 PolarHBondContact O-OG1 2.87Å; D347-T350 PolarHBondContact O-OG1 3.42Å; M348-T350 VanDerWaalsContact C-N 3.28Å; M348-T350 PolarHBondContact O-N 3.43Å; T350-P352 WeakPolarHBondContact O-CD 3.23Å
351	A	94.9	Very high	95.4	Very high	3 Å²	3	55 Å²	55	3%	0.025	31%	0.306	C	S	.	.			trans	-72.2	124.9	-179	0	0	0	0	0	111.7	F342 D347 M348 S353 L354 A355	F342-A351 HydrophobicContact CE2-CB 3.75Å; F342-A351 HydrophobicContact CZ-CB 4.15Å; D347-A351 PolarHBondContact O-N 3.04Å; M348-A351 VanDerWaalsContact O-CB 3.27Å; M348-A351 WeakPolarHBondContact O-CB 3.35Å; M348-A351 PolarHBondContact O-N 3.34Å; M348-A351 VanDerWaalsContact O-N 3.16Å; A351-S353 PolarHBondContact O-N 3.36Å; A351-S353 VanDerWaalsContact O-N 3.09Å; A351-L354 HydrophobicContact CB-CB 4.4Å; A351-L354 HydrophobicContact CB-CD1 4.36Å; A351-L354 HydrophobicContact CB-CG 4.32Å; A351-L354 PolarHBondContact O-N 3.01Å; A351-A355 PolarHBondContact O-N 3.4Å
352	P	93.9	Very high	95.3	Very high	116 Å²	116	55 Å²	55	75%	0.753	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-57.1	-30.1	178.3	-27.8	35.8	0	0	0	114.2	T350 L354 A355	T350-P352 WeakPolarHBondContact O-CD 3.23Å; P352-L354 PolarHBondContact O-N 3.31Å; P352-A355 PolarHBondContact O-N 3.42Å
353	S	91.9	Very high	95.1	Very high	8 Å²	8	56.1 Å²	56.1	6%	0.056	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-67.2	-13.7	175.3	50.2	0	0	0	0	114.8	E325 A351 H356	E325-S353 WeakPolarHBondContact O-CB 3.22Å; A351-S353 PolarHBondContact O-N 3.36Å; A351-S353 VanDerWaalsContact O-N 3.09Å; S353-H356 PolarHBondContact O-CE1 2.93Å
354	L	94.4	Very high	95.1	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-121.1	10.2	-178.3	-58	180	0	0	0	111.9	R195 L329 M348 A351 P352 H356 V357 W359	R195-L354 HydrophobicContact CG-CD2 3.5Å; L329-L354 HydrophobicContact CD1-CD1 4.02Å; L329-L354 HydrophobicContact CD1-CG 4.48Å; L329-L354 HydrophobicContact CD2-CD1 4.22Å; L329-L354 HydrophobicContact CD2-CD2 3.93Å; L329-L354 HydrophobicContact CD2-CG 4.28Å; M348-L354 HydrophobicContact CB-CD1 4.02Å; M348-L354 HydrophobicContact CE-CD1 3.85Å; M348-L354 WeakPolarHBondContact O-CD1 3.35Å; A351-L354 HydrophobicContact CB-CB 4.4Å; A351-L354 HydrophobicContact CB-CD1 4.36Å; A351-L354 HydrophobicContact CB-CG 4.32Å; A351-L354 PolarHBondContact O-N 3.01Å; P352-L354 PolarHBondContact O-N 3.31Å; L354-H356 PolarHBondContact O-N 3.22Å; L354-V357 HydrophobicContact CB-CG2 4.06Å; L354-V357 HydrophobicContact CD2-CG2 4.08Å; L354-V357 VanDerWaalsContact O-CB 3.26Å; L354-V357 WeakPolarHBondContact O-CB 3.25Å; L354-V357 WeakPolarHBondContact O-CG2 3.26Å; L354-V357 PolarHBondContact O-N 2.93Å; L354-W359 HydrophobicContact CB-CZ2 4.37Å; L354-W359 HydrophobicContact CD1-CH2 4.29Å; L354-W359 HydrophobicContact CD1-CZ2 4.03Å
355	A	92.3	Very high	94.9	Very high	83 Å²	83	61.9 Å²	61.9	69%	0.686	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.5	-176.9	0	0	0	0	0	114.8	A351 P352	A351-A355 PolarHBondContact O-N 3.4Å; P352-A355 PolarHBondContact O-N 3.42Å
356	H	90.9	Very high	94.8	Very high	115 Å²	115	66.1 Å²	66.1	53%	0.532	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-1.8	174.8	61.9	-95.4	0	0	0	113.4	S353 L354	S353-H356 PolarHBondContact O-CE1 2.93Å; L354-H356 PolarHBondContact O-N 3.22Å
357	V	93.4	Very high	94.6	Very high	25 Å²	25	62 Å²	62	15%	0.152	34%	0.339	C	S	.	.			trans	-83	123.9	-175.2	176.4	0	0	0	0	110.4	L354 W359 L362	L354-V357 HydrophobicContact CB-CG2 4.06Å; L354-V357 HydrophobicContact CD2-CG2 4.08Å; L354-V357 VanDerWaalsContact O-CB 3.26Å; L354-V357 WeakPolarHBondContact O-CB 3.25Å; L354-V357 WeakPolarHBondContact O-CG2 3.26Å; L354-V357 PolarHBondContact O-N 2.93Å; V357-W359 HydrophobicContact CG1-CD2 3.98Å; V357-W359 HydrophobicContact CG1-CG 4.24Å; V357-W359 HydrophobicContact CG1-CZ2 4.21Å; V357-W359 VanDerWaalsContact O-CD1 3.25Å; V357-W359 PolarHBondContact O-N 3.3Å; V357-L362 HydrophobicContact CG1-CD1 3.27Å; V357-L362 HydrophobicContact CG1-CG 4.15Å
358	L	94.3	Very high	94.2	Very high	112 Å²	112	68.5 Å²	68.5	59%	0.586	37%	0.368	S	S	*	.			trans	-88.7	94.3	174.5	-59.8	178.7	0	0	0	109.1	D360 D361 L362	L358-D360 VanDerWaalsContact C-N 3.34Å; L358-D360 PolarHBondContact O-N 2.54Å; L358-D361 HydrophobicContact CB-CB 4Å; L358-D361 WeakPolarHBondContact CD1-OD2 3.23Å; L358-D361 PolarHBondContact O-N 3.21Å; L358-L362 PolarHBondContact O-N 3.4Å
359	W	95.9	Very high	93.8	Very high	27 Å²	27	69 Å²	69	10%	0.102	37%	0.372	C	S	.	.	H	α-helix	trans	-67.2	-30.2	-172.1	-66.8	90	0	0	0	114.1	C199 A202 L203 L345 M348 Q349 L354 V357 L362 S363	C199-W359 HydrophobicContact CB-CH2 3.98Å; C199-W359 HydrophobicContact CB-CZ3 3.85Å; C199-W359 VanDerWaalsContact SG-CH2 3.57Å; A202-W359 HydrophobicContact CB-CZ3 4.38Å; L203-W359 HydrophobicContact CD1-CE3 4.47Å; L203-W359 HydrophobicContact CD2-CE3 4.17Å; L203-W359 HydrophobicContact CG-CE3 4.24Å; L203-W359 HydrophobicContact CG-CZ3 4.34Å; L345-W359 HydrophobicContact CD1-CD2 4.43Å; L345-W359 HydrophobicContact CD1-CE3 3.68Å; L345-W359 HydrophobicContact CD1-CH2 4.03Å; L345-W359 HydrophobicContact CD1-CZ3 3.45Å; L345-W359 VanDerWaalsContact CD1-CZ3 3.45Å; M348-W359 HydrophobicContact CB-CH2 3.67Å; M348-W359 HydrophobicContact CB-CZ2 3.92Å; Q349-W359 HydrophobicContact CG-CD2 3.92Å; Q349-W359 HydrophobicContact CG-CG 4.04Å; Q349-W359 HydrophobicContact CG-CZ2 4.15Å; L354-W359 HydrophobicContact CB-CZ2 4.37Å; L354-W359 HydrophobicContact CD1-CH2 4.29Å; L354-W359 HydrophobicContact CD1-CZ2 4.03Å; V357-W359 HydrophobicContact CG1-CD2 3.98Å; V357-W359 HydrophobicContact CG1-CG 4.24Å; V357-W359 HydrophobicContact CG1-CZ2 4.21Å; V357-W359 VanDerWaalsContact O-CD1 3.25Å; V357-W359 PolarHBondContact O-N 3.3Å; W359-L362 HydrophobicContact CD2-CD1 4.37Å; W359-L362 HydrophobicContact CE3-CD1 3.96Å; W359-L362 HydrophobicContact CZ3-CD1 4.33Å; W359-L362 WeakPolarHBondContact O-CB 3.22Å; W359-L362 PolarHBondContact O-N 2.91Å; W359-S363 PolarHBondContact O-N 3.06Å
360	D	95.5	Very high	93.3	Very high	126 Å²	126	67.8 Å²	67.8	67%	0.674	38%	0.384	S	S	*	.	H	α-helix	trans	-70.9	-39.7	174.4	-54.2	-41.6	0	0	0	111.3	L358 L362 S363 E364	L358-D360 VanDerWaalsContact C-N 3.34Å; L358-D360 PolarHBondContact O-N 2.54Å; D360-L362 VanDerWaalsContact C-N 3.27Å; D360-L362 PolarHBondContact O-N 2.52Å; D360-S363 PolarHBondContact O-N 3.05Å; D360-S363 PolarHBondContact O-OG 3.12Å; D360-E364 PolarHBondContact O-N 2.91Å; D360-E364 VanDerWaalsContact O-N 3.14Å
361	D	96	Very high	93	Very high	52 Å²	52	65.1 Å²	65.1	28%	0.278	36%	0.364	S	S	.	.	H	α-helix	trans	-71.1	-25.3	175	-74.2	-24.8	0	0	0	112.2	L358 K365 K366 V367	L358-D361 HydrophobicContact CB-CB 4Å; L358-D361 WeakPolarHBondContact CD1-OD2 3.23Å; L358-D361 PolarHBondContact O-N 3.21Å; D361-K365 PolarHBondContact O-N 3.38Å; D361-K366 HydrophobicContact CB-CB 4.09Å; D361-K366 HydrophobicContact CB-CD 4.04Å; D361-K366 WeakPolarHBondContact O-CB 3.44Å; D361-K366 PolarHBondContact O-N 3.42Å; D361-K366 WeakPolarHBondContact OD1-CD 3.42Å; D361-K366 IonicContact OD1-NZ 3.41Å; D361-K366 PolarHBondContact OD1-NZ 3.22Å; D361-V367 HydrophobicContact CB-CG2 4.14Å
362	L	94.9	Very high	92.6	Very high	7 Å²	7	68.2 Å²	68.2	4%	0.037	38%	0.382	C	S	.	.	H	α-helix	trans	-69.2	-50	168.8	-76.1	178.9	0	0	0	112.3	F153 L196 C199 L203 V357 L358 W359 D360 E364 K365 V367	F153-L362 VanDerWaalsContact CZ-O 3.24Å; F153-L362 WeakPolarHBondContact CZ-O 3.44Å; L196-L362 HydrophobicContact CD1-CD2 3.21Å; C199-L362 HydrophobicContact CB-CD1 3.56Å; L203-L362 HydrophobicContact CD1-CB 3.96Å; V357-L362 HydrophobicContact CG1-CD1 3.27Å; V357-L362 HydrophobicContact CG1-CG 4.15Å; L358-L362 PolarHBondContact O-N 3.4Å; W359-L362 HydrophobicContact CD2-CD1 4.37Å; W359-L362 HydrophobicContact CE3-CD1 3.96Å; W359-L362 HydrophobicContact CZ3-CD1 4.33Å; W359-L362 WeakPolarHBondContact O-CB 3.22Å; W359-L362 PolarHBondContact O-N 2.91Å; D360-L362 VanDerWaalsContact C-N 3.27Å; D360-L362 PolarHBondContact O-N 2.52Å; L362-E364 PolarHBondContact O-N 3.43Å; L362-K365 PolarHBondContact O-N 2.75Å; L362-V367 HydrophobicContact CD2-CB 3.83Å; L362-V367 HydrophobicContact CD2-CG1 4.24Å; L362-V367 HydrophobicContact CD2-CG2 3.74Å; L362-V367 HydrophobicContact CG-CG2 4.11Å
363	S	95.1	Very high	92	Very high	48 Å²	48	63 Å²	63	34%	0.336	35%	0.348	S	S	.	.	H	α-helix	trans	-62.9	-26.9	-178.8	65.6	0	0	0	0	112.2	W359 D360	W359-S363 PolarHBondContact O-N 3.06Å; D360-S363 PolarHBondContact O-N 3.05Å; D360-S363 PolarHBondContact O-OG 3.12Å
364	E	95.6	Very high	91.3	Very high	122 Å²	122	68.6 Å²	68.6	57%	0.57	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	4.9	171.8	-66.8	-177.5	-152.3	0	0	114.9	D360 L362 K366	D360-E364 PolarHBondContact O-N 2.91Å; D360-E364 VanDerWaalsContact O-N 3.14Å; L362-E364 PolarHBondContact O-N 3.43Å; E364-K366 VanDerWaalsContact C-N 3.27Å; E364-K366 HydrophobicContact CB-CD 4.15Å; E364-K366 HydrophobicContact CB-CG 4.25Å; E364-K366 PolarHBondContact O-N 2.81Å; E364-K366 IonicContact OE1-NZ 3.15Å; E364-K366 WeakPolarHBondContact OE2-CE 3.47Å; E364-K366 IonicContact OE2-NZ 2.73Å; E364-K366 PolarHBondContact OE2-NZ 3.18Å
365	K	94.7	Very high	89.7	Confident	52 Å²	52	76.5 Å²	76.5	23%	0.226	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	34.1	-177.8	-72.1	-177.2	167.5	179.4	0	115.1	V152 F153 D226 H230 H232 D361 L362	V152-K365 HydrophobicContact CG2-CD 3.94Å; V152-K365 HydrophobicContact CG2-CG 4.22Å; V152-K365 VanDerWaalsContact O-CE 3.28Å; V152-K365 WeakPolarHBondContact O-CE 3.27Å; V152-K365 PolarHBondContact O-NZ 2.75Å; V152-K365 VanDerWaalsContact O-NZ 3.16Å; F153-K365 HydrophobicContact CE1-CD 4.22Å; F153-K365 VanDerWaalsContact CE1-CE 3.43Å; F153-K365 HydrophobicContact CE1-CG 3.76Å; F153-K365 HydrophobicContact CZ-CG 3.79Å; D226-K365 IonicContact OD2-NZ 2.75Å; D226-K365 PolarHBondContact OD2-NZ 3.39Å; H230-K365 HydrophobicContact CB-CD 4.48Å; H232-K365 PolarHBondContact CE1-NZ 3.19Å; H232-K365 PolarHBondContact NE2-NZ 2.94Å; D361-K365 PolarHBondContact O-N 3.38Å; L362-K365 PolarHBondContact O-N 2.75Å
366	K	93.7	Very high	88	Confident	114 Å²	114	73.9 Å²	73.9	50%	0.496	39%	0.394	S	S	.	.			trans	-81.7	-20.6	174.8	-68.4	161.1	170.5	158.1	0	113.5	D361 E364 E368	D361-K366 HydrophobicContact CB-CB 4.09Å; D361-K366 HydrophobicContact CB-CD 4.04Å; D361-K366 WeakPolarHBondContact O-CB 3.44Å; D361-K366 PolarHBondContact O-N 3.42Å; D361-K366 WeakPolarHBondContact OD1-CD 3.42Å; D361-K366 IonicContact OD1-NZ 3.41Å; D361-K366 PolarHBondContact OD1-NZ 3.22Å; E364-K366 VanDerWaalsContact C-N 3.27Å; E364-K366 HydrophobicContact CB-CD 4.15Å; E364-K366 HydrophobicContact CB-CG 4.25Å; E364-K366 PolarHBondContact O-N 2.81Å; E364-K366 IonicContact OE1-NZ 3.15Å; E364-K366 WeakPolarHBondContact OE2-CE 3.47Å; E364-K366 IonicContact OE2-NZ 2.73Å; E364-K366 PolarHBondContact OE2-NZ 3.18Å; K366-E368 PolarHBondContact O-N 3.42Å
367	V	92.4	Very high	86.6	Confident	54 Å²	54	75.3 Å²	75.3	33%	0.327	40%	0.395	S	S	.	.	S	Bend	trans	-79.6	110.9	179.4	-176.9	0	0	0	0	109.7	L196 H230 D361 L362 P369	L196-V367 HydrophobicContact CD1-CG1 4.2Å; H230-V367 PolarHBondContact CE1-O 2.96Å; H230-V367 VanDerWaalsContact CE1-O 3.32Å; D361-V367 HydrophobicContact CB-CG2 4.14Å; L362-V367 HydrophobicContact CD2-CB 3.83Å; L362-V367 HydrophobicContact CD2-CG1 4.24Å; L362-V367 HydrophobicContact CD2-CG2 3.74Å; L362-V367 HydrophobicContact CG-CG2 4.11Å; V367-P369 WeakPolarHBondContact O-CD 3.28Å
368	E	89	Confident	85.1	Confident	179 Å²	179	75.2 Å²	75.2	84%	0.836	39%	0.393	S	S	*	.			trans	-66.8	128.3	-177.7	-65.5	-165.4	146	0	0	112.7	K366	K366-E368 PolarHBondContact O-N 3.42Å
369	P	88.3	Confident	83.7	Confident	12 Å²	12	70.4 Å²	70.4	8%	0.078	37%	0.368	C	S	.	.			trans	-66.1	131.7	175.4	-23.2	34.5	0	0	0	113.6	L196 V367 F371	L196-P369 HydrophobicContact CD2-CB 3.8Å; L196-P369 HydrophobicContact CD2-CG 3.9Å; V367-P369 WeakPolarHBondContact O-CD 3.28Å; P369-F371 PolarHBondContact O-N 3.46Å; P369-F371 VanDerWaalsContact O-N 3.12Å
370	G	86.4	Confident	82.1	Confident	68 Å²	68	70 Å²	70	70%	0.701	37%	0.368	S	S	*	.	S	Bend	trans	-66.6	-9.8	176.2	0	0	0	0	0	114.9	T193	T193-G370 WeakPolarHBondContact OG1-CA 3.24Å
371	F	89.4	Confident	80.3	Confident	43 Å²	43	67.4 Å²	67.4	19%	0.189	36%	0.355	C	S	.	.			trans	-126.1	119.6	170.8	175.6	-98.5	0	0	0	109.9	H182 V187 F189 T193 L225 P369 P373	H182-F371 AromaticContact CE1-CE1 3.98Å; H182-F371 AromaticContact CE1-CZ 3.92Å; H182-F371 AromaticContact ND1-CE1 3.92Å; H182-F371 AromaticContact ND1-CZ 3.57Å; V187-F371 HydrophobicContact CG1-CD2 4.05Å; V187-F371 HydrophobicContact CG1-CE2 3.57Å; V187-F371 HydrophobicContact CG1-CZ 4.04Å; V187-F371 HydrophobicContact CG2-CE2 4.34Å; V187-F371 HydrophobicContact CG2-CZ 4.36Å; F189-F371 HydrophobicContact CD1-CB 4.27Å; F189-F371 HydrophobicContact CD1-CD1 4.47Å; F189-F371 HydrophobicContact CD1-CG 4.22Å; F189-F371 HydrophobicContact CE1-CB 4.34Å; F189-F371 AromaticContact CE1-CD1 3.72Å; F189-F371 HydrophobicContact CE1-CD1 3.72Å; F189-F371 HydrophobicContact CE1-CD2 4.34Å; F189-F371 HydrophobicContact CE1-CE1 4.03Å; F189-F371 AromaticContact CE1-CG 3.88Å; F189-F371 HydrophobicContact CE1-CG 3.88Å; F189-F371 HydrophobicContact CE1-CZ 4.47Å; T193-F371 HydrophobicContact CG2-CB 3.74Å; L225-F371 HydrophobicContact CD1-CD1 3.88Å; L225-F371 HydrophobicContact CD1-CE1 3.75Å; P369-F371 PolarHBondContact O-N 3.46Å; P369-F371 VanDerWaalsContact O-N 3.12Å; F371-P373 HydrophobicContact CD1-CG 4.5Å; F371-P373 HydrophobicContact CE1-CG 4.02Å
372	V	86.5	Confident	78.3	Confident	68 Å²	68	68.9 Å²	68.9	41%	0.412	37%	0.367	S	S	.	.			trans	-113.3	119.7	175.7	-172.7	0	0	0	0	108.7
373	P	82.1	Confident	76.4	Confident	6 Å²	6	71.9 Å²	71.9	4%	0.039	39%	0.386	C	S	.	.			trans	-55.4	140	175.5	-26.9	35.3	0	0	0	112.2	L225 F371 K375	L225-P373 HydrophobicContact CB-CG 3.91Å; L225-P373 HydrophobicContact CD1-CG 3.74Å; F371-P373 HydrophobicContact CD1-CG 4.5Å; F371-P373 HydrophobicContact CE1-CG 4.02Å; P373-K375 PolarHBondContact O-N 3.02Å
374	N	75.9	Confident	74.6	Confident	126 Å²	126	72 Å²	72	67%	0.674	38%	0.38	S	S	*	.			trans	-58.2	112.5	-175.6	-82.3	-60.2	0	0	0	111.7	G376 R377 H379	N374-G376 PolarHBondContact O-N 2.9Å; N374-R377 PolarHBondContact O-N 2.94Å; N374-H379 PolarHBondContact N-NE2 3.31Å; N374-H379 PolarHBondContact O-NE2 2.93Å
375	K	62.2	Low	72.5	Confident	167 Å²	167	69 Å²	69	73%	0.726	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	124	-175.5	-65.1	-172.1	177.5	-175.2	0	111.4	E227 P373	E227-K375 WeakPolarHBondContact O-CE 3.42Å; P373-K375 PolarHBondContact O-N 3.02Å
376	G	54.8	Low	70.2	Confident	29 Å²	29	71 Å²	71	30%	0.299	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	15.1	175	0	0	0	0	0	116.5	W61 N374	W61-G376 WeakPolarHBondContact CB-O 3.38Å; W61-G376 PolarHBondContact N-O 3.34Å; N374-G376 PolarHBondContact O-N 2.9Å
377	R	61.6	Low	68.3	Low	145 Å²	145	68.5 Å²	68.5	55%	0.547	37%	0.369	S	S	.	.	S	Bend	trans	-114.9	133.5	158.8	-176.7	177.1	-177.7	-175.8	-2.6	107.5	Y181 N374 H379	Y181-R377 PolarHBondContact OH-NH2 3.12Å; N374-R377 PolarHBondContact O-N 2.94Å; R377-H379 PolarHBondContact O-CD2 3.31Å; R377-H379 PolarHBondContact O-NE2 3.38Å
378	L	63	Low	66.3	Low	23 Å²	23	68.4 Å²	68.4	12%	0.12	37%	0.365	C	S	.	.			trans	-75	126.4	164.3	-67.8	-177.8	0	0	0	107.7	R98 I100 I110 L175 C380	R98-L378 VanDerWaalsContact NH1-CD1 3.28Å; I100-L378 HydrophobicContact CG2-CD1 3.87Å; I110-L378 HydrophobicContact CD1-CD1 3.85Å; I110-L378 HydrophobicContact CD1-CD2 4.17Å; L175-L378 HydrophobicContact CD2-CD2 3.55Å; L378-C380 PolarHBondContact O-N 3.36Å
379	H	65.3	Low	64.3	Low	11 Å²	11	67.1 Å²	67.1	5%	0.051	36%	0.361	C	S	.	.			trans	-92.4	56.3	178.7	-61.1	-70.6	0	0	0	109.7	G176 G177 Y181 H182 N374 R377	G176-H379 WeakPolarHBondContact O-CB 3.16Å; G176-H379 PolarHBondContact O-CD2 2.85Å; G177-H379 WeakPolarHBondContact CA-O 3.5Å; Y181-H379 HydrophobicContact CD1-CB 3.71Å; Y181-H379 HydrophobicContact CE1-CB 3.6Å; Y181-H379 AromaticContact CE1-ND1 3.69Å; Y181-H379 HydrophobicContact CG-CB 4.48Å; H182-H379 AromaticContact CE1-CG 3.9Å; N374-H379 PolarHBondContact N-NE2 3.31Å; N374-H379 PolarHBondContact O-NE2 2.93Å; R377-H379 PolarHBondContact O-CD2 3.31Å; R377-H379 PolarHBondContact O-NE2 3.38Å
380	C	61.3	Low	62.6	Low	18 Å²	18	72.4 Å²	72.4	12%	0.122	39%	0.387	C	S	.	.	S	Bend	trans	-119.9	165.2	175.7	62	0	0	0	0	110.1	L378 P382	L378-C380 PolarHBondContact O-N 3.36Å; C380-P382 WeakPolarHBondContact O-CD 3Å
381	D	57.8	Low	60.7	Low	72 Å²	72	74.7 Å²	74.7	39%	0.385	38%	0.383	S	S	.	.			trans	-64.7	122	177	-168.3	-40.8	0	0	0	110.7	T383 F384	D381-T383 PolarHBondContact O-N 2.97Å; D381-T383 VanDerWaalsContact O-N 3.11Å; D381-T383 VanDerWaalsContact OD1-CB 3.3Å; D381-T383 WeakPolarHBondContact OD1-CB 3.39Å; D381-T383 VanDerWaalsContact OD1-CG2 3.31Å; D381-T383 WeakPolarHBondContact OD1-CG2 3.31Å; D381-T383 PolarHBondContact OD1-N 3.23Å; D381-T383 PolarHBondContact OD1-OG1 3.44Å; D381-F384 HydrophobicContact CB-CD2 3.94Å; D381-F384 HydrophobicContact CB-CE2 3.73Å; D381-F384 HydrophobicContact CB-CZ 4.48Å; D381-F384 PolarHBondContact O-N 2.65Å
382	P	54	Low	58.6	Low	82 Å²	82	75.8 Å²	75.8	53%	0.532	39%	0.388	S	S	.	.	H	α-helix	trans	-61.1	-17.9	179.1	-23.2	34.3	0	0	0	114.7	C380 F384 E385 L386	C380-P382 WeakPolarHBondContact O-CD 3Å; P382-F384 VanDerWaalsContact C-N 3.28Å; P382-F384 PolarHBondContact O-N 3.33Å; P382-E385 PolarHBondContact O-N 3.08Å; P382-L386 PolarHBondContact O-N 2.99Å
383	T	55.5	Low	56.3	Low	70 Å²	70	77.8 Å²	77.8	43%	0.429	41%	0.405	S	S	.	.	H	α-helix	trans	-64.1	-30.7	179.3	56	0	0	0	0	112.8	D381 E385 L386 E387	D381-T383 PolarHBondContact O-N 2.97Å; D381-T383 VanDerWaalsContact O-N 3.11Å; D381-T383 VanDerWaalsContact OD1-CB 3.3Å; D381-T383 WeakPolarHBondContact OD1-CB 3.39Å; D381-T383 VanDerWaalsContact OD1-CG2 3.31Å; D381-T383 WeakPolarHBondContact OD1-CG2 3.31Å; D381-T383 PolarHBondContact OD1-N 3.23Å; D381-T383 PolarHBondContact OD1-OG1 3.44Å; T383-E385 PolarHBondContact O-N 3.48Å; T383-L386 PolarHBondContact O-N 3.27Å; T383-E387 PolarHBondContact O-N 3.03Å
384	F	56.5	Low	54.6	Low	50 Å²	50	85.1 Å²	85.1	22%	0.219	43%	0.432	C	S	.	.	H	α-helix	trans	-66.3	-37.3	177.6	-59.3	-48.5	0	0	0	112.6	K102 D381 P382 L386 E388	K102-F384 HydrophobicContact CB-CD1 3.72Å; K102-F384 HydrophobicContact CB-CE1 3.33Å; K102-F384 HydrophobicContact CB-CZ 4.07Å; K102-F384 HydrophobicContact CD-CD1 4.39Å; K102-F384 HydrophobicContact CD-CE1 4.11Å; K102-F384 HydrophobicContact CG-CE1 4.41Å; D381-F384 HydrophobicContact CB-CD2 3.94Å; D381-F384 HydrophobicContact CB-CE2 3.73Å; D381-F384 HydrophobicContact CB-CZ 4.48Å; D381-F384 PolarHBondContact O-N 2.65Å; P382-F384 VanDerWaalsContact C-N 3.28Å; P382-F384 PolarHBondContact O-N 3.33Å; F384-L386 VanDerWaalsContact C-N 3.34Å; F384-E388 PolarHBondContact O-N 3.06Å
385	E	51.4	Low	53.2	Low	60 Å²	60	81.6 Å²	81.6	28%	0.28	42%	0.416	S	S	.	.	H	α-helix	trans	-68.9	-36	174	-51.2	-176.2	-167.5	0	0	111.7	R98 P382 T383 E388 M389	R98-E385 VanDerWaalsContact CZ-CD 3.47Å; R98-E385 IonicContact CZ-OE1 2.62Å; R98-E385 IonicContact CZ-OE2 3.59Å; R98-E385 VanDerWaalsContact NE-CD 3.3Å; R98-E385 IonicContact NE-OE1 3.85Å; R98-E385 PolarHBondContact NE-OE1 3.41Å; R98-E385 IonicContact NE-OE2 3.44Å; R98-E385 PolarHBondContact NE-OE2 2.73Å; R98-E385 IonicContact NH2-OE1 2.78Å; R98-E385 PolarHBondContact NH2-OE1 3.34Å; R98-E385 IonicContact NH2-OE2 3.75Å; R98-E385 PolarHBondContact NH2-OE2 3.24Å; P382-E385 PolarHBondContact O-N 3.08Å; T383-E385 PolarHBondContact O-N 3.48Å; E385-E388 PolarHBondContact O-N 3.15Å; E385-M389 WeakPolarHBondContact O-CB 3.49Å; E385-M389 PolarHBondContact O-N 3.12Å
386	L	48.3	Very low	52.7	Low	93 Å²	93	75.2 Å²	75.2	49%	0.487	39%	0.39	S	S	.	.	H	α-helix	trans	-71.8	-38.1	178.8	-151.9	76.1	0	0	0	111.2	P382 T383 F384 M389 I390	P382-L386 PolarHBondContact O-N 2.99Å; T383-L386 PolarHBondContact O-N 3.27Å; F384-L386 VanDerWaalsContact C-N 3.34Å; L386-M389 HydrophobicContact CD1-CE 4Å; L386-M389 PolarHBondContact O-N 3.34Å; L386-I390 HydrophobicContact CD2-CD1 4.26Å; L386-I390 HydrophobicContact CG-CD1 3.82Å; L386-I390 VanDerWaalsContact O-CB 3.28Å; L386-I390 WeakPolarHBondContact O-CB 3.35Å; L386-I390 VanDerWaalsContact O-CG1 3.23Å; L386-I390 WeakPolarHBondContact O-CG1 3.41Å; L386-I390 PolarHBondContact O-N 2.93Å
387	E	53.7	Low	52.5	Low	62 Å²	62	79.4 Å²	79.4	29%	0.29	40%	0.401	S	S	.	.	H	α-helix	trans	-59.9	-45.9	168.5	-77.9	-165.7	176.8	0	0	111.2	K102 T383 M389 I390 L391	K102-E387 IonicContact NZ-OE1 3.65Å; K102-E387 PolarHBondContact NZ-OE1 3.44Å; K102-E387 IonicContact NZ-OE2 2.73Å; K102-E387 PolarHBondContact NZ-OE2 3.13Å; T383-E387 PolarHBondContact O-N 3.03Å; E387-M389 PolarHBondContact O-N 3.3Å; E387-I390 PolarHBondContact O-N 3.46Å; E387-L391 HydrophobicContact CB-CD1 4.09Å; E387-L391 HydrophobicContact CG-CD1 4.07Å; E387-L391 VanDerWaalsContact O-CB 3.27Å; E387-L391 WeakPolarHBondContact O-CB 3.33Å; E387-L391 PolarHBondContact O-N 2.9Å
388	E	49.5	Very low	51.8	Low	52 Å²	52	79.2 Å²	79.2	24%	0.243	40%	0.404	C	S	.	.	H	α-helix	trans	-59.5	-47.7	177.2	-167.9	-178.2	171.1	0	0	111.7	A99 F384 E385 I390 E392	A99-E388 VanDerWaalsContact CB-OE2 3.32Å; A99-E388 WeakPolarHBondContact CB-OE2 3.26Å; A99-E388 PolarHBondContact N-OE2 3.01Å; F384-E388 PolarHBondContact O-N 3.06Å; E385-E388 PolarHBondContact O-N 3.15Å; E388-I390 VanDerWaalsContact C-N 3.33Å; E388-I390 PolarHBondContact O-N 3.5Å; E388-E392 HydrophobicContact CG-CG 4.33Å; E388-E392 PolarHBondContact O-N 2.59Å
389	M	47.7	Very low	51.3	Low	153 Å²	153	79 Å²	79	75%	0.754	40%	0.403	S	S	*	.	H	α-helix	trans	-70.8	-23.2	-178	-167.5	173.1	63.5	0	0	114	E385 L386 E387	E385-M389 WeakPolarHBondContact O-CB 3.49Å; E385-M389 PolarHBondContact O-N 3.12Å; L386-M389 HydrophobicContact CD1-CE 4Å; L386-M389 PolarHBondContact O-N 3.34Å; E387-M389 PolarHBondContact O-N 3.3Å
390	I	50.9	Low	50.5	Low	123 Å²	123	86 Å²	86	63%	0.631	43%	0.433	S	S	*	.	H	α-helix	trans	-100.4	-35.8	-177.8	-64.8	175.1	0	0	0	112.8	L386 E387 E388	L386-I390 HydrophobicContact CD2-CD1 4.26Å; L386-I390 HydrophobicContact CG-CD1 3.82Å; L386-I390 VanDerWaalsContact O-CB 3.28Å; L386-I390 WeakPolarHBondContact O-CB 3.35Å; L386-I390 VanDerWaalsContact O-CG1 3.23Å; L386-I390 WeakPolarHBondContact O-CG1 3.41Å; L386-I390 PolarHBondContact O-N 2.93Å; E387-I390 PolarHBondContact O-N 3.46Å; E388-I390 VanDerWaalsContact C-N 3.33Å; E388-I390 PolarHBondContact O-N 3.5Å
391	L	46.6	Very low	49.9	Very low	116 Å²	116	94 Å²	94	61%	0.607	47%	0.465	S	S	*	.	H	α-helix	trans	-100.4	-16.2	-169.4	-72.5	154.3	0	0	0	115.3	E387 S393	E387-L391 HydrophobicContact CB-CD1 4.09Å; E387-L391 HydrophobicContact CG-CD1 4.07Å; E387-L391 VanDerWaalsContact O-CB 3.27Å; E387-L391 WeakPolarHBondContact O-CB 3.33Å; E387-L391 PolarHBondContact O-N 2.9Å; L391-S393 PolarHBondContact O-N 2.79Å
392	E	46.3	Very low	49.8	Very low	66 Å²	66	95.2 Å²	95.2	31%	0.308	47%	0.465	S	S	.	.			trans	-77.5	68.2	-176.2	-66.1	-141.5	175	0	0	114.5	K107 E388 R394	K107-E392 IonicContact NZ-OE1 3.54Å; K107-E392 PolarHBondContact NZ-OE1 3.16Å; E388-E392 HydrophobicContact CG-CG 4.33Å; E388-E392 PolarHBondContact O-N 2.59Å; E392-R394 PolarHBondContact O-N 2.83Å
393	S	38.1	Very low	49.7	Very low	110 Å²	110	93.6 Å²	93.6	77%	0.769	45%	0.451	S	S	*	.	S	Bend	trans	-64.5	-8.5	163	60.5	0	0	0	0	113.8	L391	L391-S393 PolarHBondContact O-N 2.79Å
394	R	46.4	Very low	49.7	Very low	160 Å²	160	93.8 Å²	93.8	60%	0.604	46%	0.46	S	S	*	.	S	Bend	trans	-147.9	89.7	-178.2	-61.7	-174.9	-176.7	174.5	2.5	112.5	E392	E392-R394 PolarHBondContact O-N 2.83Å
395	P	47.4	Very low	49.5	Very low	52 Å²	52	98.4 Å²	98.4	34%	0.338	48%	0.48	S	S	.	.			trans	-60.1	142.3	178	-24	33.4	0	0	0	113.4	H397 K398	P395-H397 VanDerWaalsContact C-N 3.27Å; P395-H397 PolarHBondContact O-N 3.33Å; P395-K398 PolarHBondContact O-N 2.68Å
396	L	52	Low	49.5	Very low	33 Å²	33	99.4 Å²	99.4	17%	0.173	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-51	-42.4	178.7	-81.2	105.6	0	0	0	113	F91 I96 K398 K399	F91-L396 HydrophobicContact CE2-CD2 4.22Å; F91-L396 HydrophobicContact CZ-CB 4.27Å; F91-L396 HydrophobicContact CZ-CD2 3.97Å; I96-L396 HydrophobicContact CD1-CB 4.15Å; I96-L396 HydrophobicContact CD1-CD1 4.15Å; I96-L396 HydrophobicContact CD1-CD2 3.87Å; I96-L396 HydrophobicContact CD1-CG 4.28Å; L396-K398 PolarHBondContact O-N 2.83Å; L396-K399 VanDerWaalsContact O-CB 3.25Å; L396-K399 WeakPolarHBondContact O-CB 3.45Å; L396-K399 PolarHBondContact O-N 3.08Å
397	H	49.6	Very low	49.7	Very low	116 Å²	116	104.3 Å²	104.3	54%	0.537	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-57.4	-6.5	177.2	-84.4	73.5	0	0	0	115.9	I96 R114 P395	I96-H397 PolarHBondContact N-CE1 2.97Å; R114-H397 PolarHBondContact NH2-NE2 3.12Å; P395-H397 VanDerWaalsContact C-N 3.27Å; P395-H397 PolarHBondContact O-N 3.33Å
398	K	46.6	Very low	49.5	Very low	141 Å²	141	105.3 Å²	105.3	61%	0.613	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-110.5	9.2	178.4	-63	179.9	-178	172.9	0	113.7	P395 L396	P395-K398 PolarHBondContact O-N 2.68Å; L396-K398 PolarHBondContact O-N 2.83Å
399	K	51.8	Low	49.6	Very low	20 Å²	20	110.5 Å²	110.5	9%	0.087	54%	0.536	C	S	.	.	H	α-helix	trans	-66.2	-49.1	-175.1	-163.2	179.6	176	-162	0	113.6	D163 E165 D166 L396 K401 R402 L403	D163-K399 IonicContact OD1-NZ 3.96Å; D163-K399 PolarHBondContact OD1-NZ 3.05Å; D163-K399 VanDerWaalsContact OD1-NZ 3.11Å; D163-K399 IonicContact OD2-NZ 2.65Å; D163-K399 PolarHBondContact OD2-NZ 3.47Å; E165-K399 VanDerWaalsContact OE1-CE 3.28Å; E165-K399 WeakPolarHBondContact OE1-CE 3.45Å; E165-K399 WeakPolarHBondContact OE2-CE 3.49Å; E165-K399 IonicContact OE2-NZ 3.32Å; D166-K399 IonicContact OD2-NZ 3.29Å; D166-K399 PolarHBondContact OD2-NZ 2.9Å; L396-K399 VanDerWaalsContact O-CB 3.25Å; L396-K399 WeakPolarHBondContact O-CB 3.45Å; L396-K399 PolarHBondContact O-N 3.08Å; K399-K401 VanDerWaalsContact C-N 3.26Å; K399-K401 PolarHBondContact O-N 3.08Å; K399-K401 VanDerWaalsContact O-N 3.12Å; K399-R402 WeakPolarHBondContact O-CA 3.35Å; K399-R402 WeakPolarHBondContact O-CB 3.26Å; K399-R402 PolarHBondContact O-N 2.78Å; K399-L403 HydrophobicContact CG-CD1 4.11Å; K399-L403 PolarHBondContact O-N 2.73Å
400	K	49.2	Very low	49.5	Very low	158 Å²	158	108.5 Å²	108.5	69%	0.687	53%	0.528	S	S	*	.	H	α-helix	trans	-51.6	-38.7	179	-151.3	164.2	-167.2	161.7	0	113.6	D92 A404	D92-K400 IonicContact OD2-NZ 3.7Å; D92-K400 PolarHBondContact OD2-NZ 3.04Å; D92-K400 VanDerWaalsContact OD2-NZ 3.15Å; K400-A404 PolarHBondContact O-N 3.45Å
401	K	49.1	Very low	49.3	Very low	184 Å²	184	108.1 Å²	108.1	80%	0.8	54%	0.537	S	S	*	.	H	α-helix	trans	-79.1	-17.4	177.9	-160.8	170.3	-174	172.4	0	114	K399	K399-K401 VanDerWaalsContact C-N 3.26Å; K399-K401 PolarHBondContact O-N 3.08Å; K399-K401 VanDerWaalsContact O-N 3.12Å
402	R	54.5	Low	49.6	Very low	98 Å²	98	107 Å²	107	37%	0.37	54%	0.539	S	S	.	.	H	α-helix	trans	-81.9	-45.9	169.6	-74.2	170	48.3	-148.6	-13.1	111.2	K399 A404 K405 N406	K399-R402 WeakPolarHBondContact O-CA 3.35Å; K399-R402 WeakPolarHBondContact O-CB 3.26Å; K399-R402 PolarHBondContact O-N 2.78Å; R402-A404 PolarHBondContact O-N 3.07Å; R402-K405 CarbonylContact O-C 3.57Å; R402-K405 WeakPolarHBondContact O-CA 3.44Å; R402-K405 WeakPolarHBondContact O-CB 3.19Å; R402-K405 PolarHBondContact O-N 2.99Å; R402-N406 PolarHBondContact O-N 3.07Å
403	L	53.7	Low	49.8	Very low	48 Å²	48	114.8 Å²	114.8	25%	0.251	57%	0.565	S	S	.	*	H	α-helix	trans	-56.5	-48.1	179.7	-78	163.9	0	0	0	111.7	E165 K399 K405 N406 K407	E165-L403 WeakPolarHBondContact OE1-CD2 3.32Å; K399-L403 HydrophobicContact CG-CD1 4.11Å; K399-L403 PolarHBondContact O-N 2.73Å; L403-K405 PolarHBondContact O-N 3.04Å; L403-N406 PolarHBondContact O-N 3.11Å; L403-K407 PolarHBondContact O-N 2.82Å
404	A	54.9	Low	50.4	Low	75 Å²	75	115.6 Å²	115.6	62%	0.62	56%	0.561	S	S	*	*	H	α-helix	trans	-57.6	-22.7	173.4	0	0	0	0	0	114.5	K400 R402	K400-A404 PolarHBondContact O-N 3.45Å; R402-A404 PolarHBondContact O-N 3.07Å
405	K	51.1	Low	50.6	Low	146 Å²	146	112.9 Å²	112.9	64%	0.635	57%	0.566	S	S	*	*	H	α-helix	trans	-97.5	-13.5	179	-164.7	175.4	-178.3	179.6	0	113.4	R402 L403 S408 R409	R402-K405 CarbonylContact O-C 3.57Å; R402-K405 WeakPolarHBondContact O-CA 3.44Å; R402-K405 WeakPolarHBondContact O-CB 3.19Å; R402-K405 PolarHBondContact O-N 2.99Å; L403-K405 PolarHBondContact O-N 3.04Å; K405-S408 PolarHBondContact O-OG 3.31Å; K405-R409 WeakPolarHBondContact O-CD 3.42Å; K405-R409 WeakPolarHBondContact O-CG 3.46Å
406	N	51.9	Low	50.8	Low	81 Å²	81	113.5 Å²	113.5	43%	0.433	57%	0.572	S	S	.	*	H	α-helix	trans	-91.5	-40.4	174.5	-122.3	68.5	0	0	0	110.9	R402 L403 S408 R409 D410	R402-N406 PolarHBondContact O-N 3.07Å; L403-N406 PolarHBondContact O-N 3.11Å; N406-S408 PolarHBondContact O-N 3.24Å; N406-R409 PolarHBondContact O-N 3.42Å; N406-D410 PolarHBondContact ND2-OD2 3.1Å; N406-D410 PolarHBondContact O-N 3.4Å
407	K	52.8	Low	51.2	Low	197 Å²	197	117.9 Å²	117.9	86%	0.857	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-17.8	172.6	-159.4	164	-172.2	165.2	0	113.6	L403	L403-K407 PolarHBondContact O-N 2.82Å
408	S	49.8	Very low	51.9	Low	82 Å²	82	116.6 Å²	116.6	57%	0.573	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	8.7	173.1	80.6	0	0	0	0	114.8	K405 N406	K405-S408 PolarHBondContact O-OG 3.31Å; N406-S408 PolarHBondContact O-N 3.24Å
409	R	50.9	Low	52.7	Low	161 Å²	161	116.7 Å²	116.7	61%	0.608	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	-29.5	-177.1	-74.6	-179.5	68.7	-162.1	1.4	113.8	K405 N406 S411 S412	K405-R409 WeakPolarHBondContact O-CD 3.42Å; K405-R409 WeakPolarHBondContact O-CG 3.46Å; N406-R409 PolarHBondContact O-N 3.42Å; R409-S411 PolarHBondContact O-N 3.47Å; R409-S412 PolarHBondContact O-OG 3.32Å
410	D	46.5	Very low	53.8	Low	111 Å²	111	120.1 Å²	120.1	59%	0.594	62%	0.618	S	S	*	*	S	Bend	trans	-72.5	-6	-177.6	-72.5	-44.5	0	0	0	114.5	N406 S412	N406-D410 PolarHBondContact ND2-OD2 3.1Å; N406-D410 PolarHBondContact O-N 3.4Å; D410-S412 PolarHBondContact O-N 3.47Å
411	S	45.7	Very low	55.4	Low	115 Å²	115	117.1 Å²	117.1	80%	0.804	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	26.3	169.4	69.3	0	0	0	0	114.4	R409	R409-S411 PolarHBondContact O-N 3.47Å
412	S	52.8	Low	57.1	Low	94 Å²	94	115.6 Å²	115.6	66%	0.657	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155	16.6	-168.8	68.5	0	0	0	0	117.2	R409 D410	R409-S412 PolarHBondContact O-OG 3.32Å; D410-S412 PolarHBondContact O-N 3.47Å
413	R	50.8	Low	58.7	Low	229 Å²	229	112.5 Å²	112.5	86%	0.864	59%	0.59	S	S	*	*			trans	-134.9	107.2	174	-79.3	-171.2	162.3	-175.9	-9.7	113.3
414	D	51.5	Low	60.4	Low	127 Å²	127	114.9 Å²	114.9	68%	0.679	60%	0.6	S	S	*	*			trans	-98	96.4	178.9	-173	26.5	0	0	0	110.6	Q417	D414-Q417 PolarHBondContact OD1-NE2 3.27Å
415	S	49.4	Very low	62	Low	102 Å²	102	116.6 Å²	116.6	71%	0.713	60%	0.598	S	S	*	*	S	Bend	trans	-169	129.7	166.7	-70.5	0	0	0	0	107.6
416	S	52.8	Low	63.9	Low	65 Å²	65	110.9 Å²	110.9	46%	0.455	58%	0.577	S	S	.	*			trans	62.8	55.4	-176.5	74	0	0	0	0	117.4	N420	S416-N420 PolarHBondContact O-N 3.19Å; S416-N420 PolarHBondContact O-ND2 3.32Å
417	Q	60.3	Low	65.8	Low	125 Å²	125	108.5 Å²	108.5	58%	0.584	56%	0.564	S	S	*	*	H	α-helix	trans	-56.7	-52.8	172.2	-65.4	177.1	8.5	0	0	112.2	D414 E419 N420 D421	D414-Q417 PolarHBondContact OD1-NE2 3.27Å; Q417-E419 VanDerWaalsContact C-N 3.35Å; Q417-E419 PolarHBondContact O-N 3.27Å; Q417-N420 WeakPolarHBondContact O-CB 3.45Å; Q417-N420 PolarHBondContact O-N 2.86Å; Q417-D421 PolarHBondContact O-N 2.87Å
418	S	63.1	Low	67.6	Low	90 Å²	90	102.6 Å²	102.6	63%	0.629	54%	0.542	S	S	*	.	H	α-helix	trans	-63.1	-29.6	-172.7	58.8	0	0	0	0	116.2	Y422	S418-Y422 PolarHBondContact O-N 3.21Å
419	E	64.3	Low	69.6	Low	142 Å²	142	100.6 Å²	100.6	66%	0.664	53%	0.53	S	S	*	.	H	α-helix	trans	-78.7	-32.8	175.7	-69.4	-178.9	143.6	0	0	111.5	Q417 L423	Q417-E419 VanDerWaalsContact C-N 3.35Å; Q417-E419 PolarHBondContact O-N 3.27Å; E419-L423 WeakPolarHBondContact O-CB 3.24Å; E419-L423 PolarHBondContact O-N 2.7Å; E419-L423 VanDerWaalsContact O-N 3.14Å
420	N	74.1	Confident	71.6	Confident	92 Å²	92	93.2 Å²	93.2	49%	0.492	50%	0.503	S	S	.	.	H	α-helix	trans	-69.5	-39.5	171.3	-77.5	-75.5	0	0	0	111.2	S416 Q417 L423 Q424	S416-N420 PolarHBondContact O-N 3.19Å; S416-N420 PolarHBondContact O-ND2 3.32Å; Q417-N420 WeakPolarHBondContact O-CB 3.45Å; Q417-N420 PolarHBondContact O-N 2.86Å; N420-L423 PolarHBondContact O-N 3.28Å; N420-Q424 WeakPolarHBondContact O-CB 3.21Å; N420-Q424 PolarHBondContact O-N 3.15Å
421	D	83.4	Confident	73.7	Confident	95 Å²	95	92.3 Å²	92.3	51%	0.508	50%	0.495	S	S	.	.	H	α-helix	trans	-60.6	-49.7	177.4	-61.9	-27.3	0	0	0	110.7	Q417 L423 Q424 D425	Q417-D421 PolarHBondContact O-N 2.87Å; D421-L423 PolarHBondContact O-N 3.11Å; D421-Q424 PolarHBondContact O-N 2.78Å; D421-D425 PolarHBondContact O-N 3.25Å
422	Y	85.1	Confident	75.9	Confident	153 Å²	153	94.3 Å²	94.3	60%	0.6	49%	0.492	S	S	*	.	H	α-helix	trans	-61.7	-41.3	176.3	175.7	-99.6	0	0	0	113.2	S418 Q424 D425 C426	S418-Y422 PolarHBondContact O-N 3.21Å; Y422-Q424 VanDerWaalsContact C-N 3.33Å; Y422-D425 PolarHBondContact O-N 2.66Å; Y422-C426 VanDerWaalsContact CZ-SG 3.55Å; Y422-C426 WeakPolarHBondContact O-CB 3.49Å; Y422-C426 PolarHBondContact O-N 3.28Å; Y422-C426 PolarHBondContact O-SG 3.34Å; Y422-C426 VanDerWaalsContact O-SG 3.34Å
423	L	87.6	Confident	77.8	Confident	33 Å²	33	95.1 Å²	95.1	17%	0.173	49%	0.489	C	S	.	.	H	α-helix	trans	-63.8	-40.7	176	178.5	60.9	0	0	0	111.1	Q128 I131 E419 N420 D421 C426 L427	Q128-L423 HydrophobicContact CG-CD1 4.21Å; Q128-L423 HydrophobicContact CG-CD2 4.26Å; I131-L423 HydrophobicContact CB-CD1 4.39Å; I131-L423 HydrophobicContact CD1-CD1 3.9Å; I131-L423 HydrophobicContact CG2-CD1 4.11Å; E419-L423 WeakPolarHBondContact O-CB 3.24Å; E419-L423 PolarHBondContact O-N 2.7Å; E419-L423 VanDerWaalsContact O-N 3.14Å; N420-L423 PolarHBondContact O-N 3.28Å; D421-L423 PolarHBondContact O-N 3.11Å; L423-C426 PolarHBondContact O-N 3.37Å; L423-L427 HydrophobicContact CD1-CD1 4.45Å; L423-L427 HydrophobicContact CD1-CG 4.44Å; L423-L427 HydrophobicContact CG-CD1 4.15Å; L423-L427 VanDerWaalsContact O-CG 3.27Å; L423-L427 WeakPolarHBondContact O-CG 3.29Å; L423-L427 PolarHBondContact O-N 3.12Å
424	Q	88.9	Confident	79.8	Confident	97 Å²	97	84.8 Å²	84.8	45%	0.453	45%	0.45	S	S	.	.	H	α-helix	trans	-66.8	-44.2	177.5	-170.9	62.1	57.2	0	0	111.7	N420 D421 Y422 C426 L427 D428	N420-Q424 WeakPolarHBondContact O-CB 3.21Å; N420-Q424 PolarHBondContact O-N 3.15Å; D421-Q424 PolarHBondContact O-N 2.78Å; Y422-Q424 VanDerWaalsContact C-N 3.33Å; Q424-C426 VanDerWaalsContact C-N 3.26Å; Q424-C426 PolarHBondContact O-N 3.05Å; Q424-L427 PolarHBondContact O-N 3.1Å; Q424-L427 VanDerWaalsContact O-N 3.12Å; Q424-D428 PolarHBondContact NE2-OD1 3.32Å; Q424-D428 WeakPolarHBondContact O-CB 3.31Å; Q424-D428 PolarHBondContact O-N 2.89Å
425	D	89.8	Confident	81.6	Confident	111 Å²	111	83 Å²	83	59%	0.594	44%	0.444	S	S	*	.	H	α-helix	trans	-56	-42.1	174.2	-74.5	-20.1	0	0	0	111.3	D421 Y422 D428 A429	D421-D425 PolarHBondContact O-N 3.25Å; Y422-D425 PolarHBondContact O-N 2.66Å; D425-D428 PolarHBondContact O-N 2.77Å; D425-A429 WeakPolarHBondContact O-CB 3.32Å; D425-A429 PolarHBondContact O-N 2.58Å
426	C	90.8	Very high	83.8	Confident	27 Å²	27	82 Å²	82	18%	0.182	43%	0.43	C	S	.	.	H	α-helix	trans	-69.4	-37.4	176.6	-73.1	0	0	0	0	113.1	I131 Y422 L423 Q424 I430	I131-C426 HydrophobicContact CD1-CB 3.72Å; I131-C426 HydrophobicContact CG1-CB 4.13Å; I131-C426 HydrophobicContact CG2-CB 4.08Å; Y422-C426 VanDerWaalsContact CZ-SG 3.55Å; Y422-C426 WeakPolarHBondContact O-CB 3.49Å; Y422-C426 PolarHBondContact O-N 3.28Å; Y422-C426 PolarHBondContact O-SG 3.34Å; Y422-C426 VanDerWaalsContact O-SG 3.34Å; L423-C426 PolarHBondContact O-N 3.37Å; Q424-C426 VanDerWaalsContact C-N 3.26Å; Q424-C426 PolarHBondContact O-N 3.05Å; C426-I430 WeakPolarHBondContact O-CG1 3.41Å; C426-I430 PolarHBondContact O-N 3.46Å; C426-I430 VanDerWaalsContact O-N 3.08Å
427	L	91.2	Very high	85.8	Confident	31 Å²	31	80.1 Å²	80.1	16%	0.162	41%	0.413	C	S	.	.	H	α-helix	trans	-66.8	-39	174.1	-72.4	169.8	0	0	0	111.7	K127 I131 L423 Q424 I430 Q431	K127-L427 HydrophobicContact CB-CD2 3.49Å; K127-L427 VanDerWaalsContact CB-CD2 3.49Å; K127-L427 HydrophobicContact CD-CD2 4.12Å; K127-L427 HydrophobicContact CG-CD2 4.45Å; I131-L427 HydrophobicContact CD1-CD2 3.72Å; I131-L427 HydrophobicContact CD1-CG 3.9Å; L423-L427 HydrophobicContact CD1-CD1 4.45Å; L423-L427 HydrophobicContact CD1-CG 4.44Å; L423-L427 HydrophobicContact CG-CD1 4.15Å; L423-L427 VanDerWaalsContact O-CG 3.27Å; L423-L427 WeakPolarHBondContact O-CG 3.29Å; L423-L427 PolarHBondContact O-N 3.12Å; Q424-L427 PolarHBondContact O-N 3.1Å; Q424-L427 VanDerWaalsContact O-N 3.12Å; L427-I430 PolarHBondContact O-N 2.85Å; L427-Q431 WeakPolarHBondContact O-CB 3.46Å; L427-Q431 PolarHBondContact O-N 2.84Å
428	D	90.9	Very high	87.5	Confident	72 Å²	72	75.4 Å²	75.4	39%	0.385	39%	0.392	S	S	.	.	H	α-helix	trans	-70.9	-35.6	177.7	-73.6	-0.3	0	0	0	111.5	Q424 D425 Q431 Q432	Q424-D428 PolarHBondContact NE2-OD1 3.32Å; Q424-D428 WeakPolarHBondContact O-CB 3.31Å; Q424-D428 PolarHBondContact O-N 2.89Å; D425-D428 PolarHBondContact O-N 2.77Å; D428-Q431 WeakPolarHBondContact O-CB 3.11Å; D428-Q431 PolarHBondContact O-N 3.32Å; D428-Q432 WeakPolarHBondContact O-CG 3.09Å; D428-Q432 PolarHBondContact O-N 2.83Å; D428-Q432 PolarHBondContact O-NE2 3.47Å
429	A	91.9	Very high	89	Confident	41 Å²	41	71.5 Å²	71.5	34%	0.339	36%	0.363	S	S	.	.	H	α-helix	trans	-62.6	-48.8	170.8	0	0	0	0	0	111.6	D425 Q431 Q432 D433	D425-A429 WeakPolarHBondContact O-CB 3.32Å; D425-A429 PolarHBondContact O-N 2.58Å; A429-Q431 PolarHBondContact O-N 3.21Å; A429-Q432 PolarHBondContact O-N 2.8Å; A429-Q432 VanDerWaalsContact O-N 3.11Å; A429-D433 WeakPolarHBondContact O-CB 3.34Å; A429-D433 PolarHBondContact O-N 3.26Å
430	I	92.1	Very high	90.3	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-56.2	-42	172.7	-67.9	170.7	0	0	0	110.6	K127 I131 V136 F140 M167 C426 L427 Q432 F434	K127-I430 HydrophobicContact CB-CD1 4.29Å; K127-I430 HydrophobicContact CD-CG2 4.06Å; K127-I430 HydrophobicContact CG-CG2 4.23Å; I131-I430 HydrophobicContact CD1-CD1 3.8Å; I131-I430 HydrophobicContact CG1-CD1 3.8Å; V136-I430 HydrophobicContact CG1-CD1 3.89Å; V136-I430 HydrophobicContact CG1-CG1 3.73Å; V136-I430 HydrophobicContact CG2-CD1 3.83Å; F140-I430 HydrophobicContact CE2-CG1 4.5Å; F140-I430 HydrophobicContact CE2-CG2 4.23Å; F140-I430 HydrophobicContact CZ-CG2 4.21Å; M167-I430 HydrophobicContact CG-CG2 4.27Å; M167-I430 HydrophobicContact SD-CG2 3.77Å; C426-I430 WeakPolarHBondContact O-CG1 3.41Å; C426-I430 PolarHBondContact O-N 3.46Å; C426-I430 VanDerWaalsContact O-N 3.08Å; L427-I430 PolarHBondContact O-N 2.85Å; I430-Q432 VanDerWaalsContact C-N 3.27Å; I430-Q432 PolarHBondContact O-N 3.23Å; I430-F434 WeakPolarHBondContact O-CB 3.25Å; I430-F434 PolarHBondContact O-N 2.79Å; I430-F434 VanDerWaalsContact O-N 3.14Å
431	Q	91.4	Very high	91	Very high	92 Å²	92	66.9 Å²	66.9	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-32.4	-179.3	-172.2	60.1	42.1	0	0	112.8	Q162 L427 D428 A429	Q162-Q431 PolarHBondContact NE2-O 3.28Å; L427-Q431 WeakPolarHBondContact O-CB 3.46Å; L427-Q431 PolarHBondContact O-N 2.84Å; D428-Q431 WeakPolarHBondContact O-CB 3.11Å; D428-Q431 PolarHBondContact O-N 3.32Å; A429-Q431 PolarHBondContact O-N 3.21Å
432	Q	91	Very high	91.3	Very high	158 Å²	158	65.9 Å²	65.9	74%	0.738	33%	0.331	S	S	*	.	H	α-helix	trans	-83.6	-43.5	178.7	-71.3	171.7	51.6	0	0	113	D428 A429 I430	D428-Q432 WeakPolarHBondContact O-CG 3.09Å; D428-Q432 PolarHBondContact O-N 2.83Å; D428-Q432 PolarHBondContact O-NE2 3.47Å; A429-Q432 PolarHBondContact O-N 2.8Å; A429-Q432 VanDerWaalsContact O-N 3.11Å; I430-Q432 VanDerWaalsContact C-N 3.27Å; I430-Q432 PolarHBondContact O-N 3.23Å
433	D	92.4	Very high	91.6	Very high	111 Å²	111	61.4 Å²	61.4	59%	0.594	32%	0.315	S	S	*	.	H	α-helix	trans	-81.3	-22.2	-172	-67.2	-19	0	0	0	113.2	F140 A429 V435	F140-D433 HydrophobicContact CE1-CB 3.76Å; F140-D433 HydrophobicContact CZ-CB 4.33Å; A429-D433 WeakPolarHBondContact O-CB 3.34Å; A429-D433 PolarHBondContact O-N 3.26Å; D433-V435 PolarHBondContact O-N 2.78Å
434	F	93.1	Very high	91.6	Very high	12 Å²	12	65.6 Å²	65.6	5%	0.053	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-70.9	118.1	-175.1	-175.7	-72.9	0	0	0	112.1	F140 L143 F161 Q162 M167 I430	F140-F434 HydrophobicContact CE1-CB 4.25Å; F140-F434 HydrophobicContact CE2-CD2 4.34Å; F140-F434 HydrophobicContact CZ-CB 3.87Å; F140-F434 HydrophobicContact CZ-CD2 4.18Å; L143-F434 HydrophobicContact CD1-CD2 4.01Å; L143-F434 HydrophobicContact CD1-CE2 3.44Å; L143-F434 VanDerWaalsContact CD1-CE2 3.44Å; L143-F434 HydrophobicContact CD1-CZ 3.87Å; F161-F434 VanDerWaalsContact O-CZ 3.29Å; F161-F434 WeakPolarHBondContact O-CZ 3.28Å; Q162-F434 HydrophobicContact CB-CD1 4.34Å; Q162-F434 HydrophobicContact CB-CE1 4.41Å; Q162-F434 HydrophobicContact CB-CG 4.45Å; Q162-F434 HydrophobicContact CG-CD1 3.91Å; Q162-F434 HydrophobicContact CG-CE1 4.35Å; Q162-F434 HydrophobicContact CG-CG 4.16Å; M167-F434 HydrophobicContact CB-CD2 4.48Å; M167-F434 HydrophobicContact CB-CE2 3.82Å; M167-F434 HydrophobicContact CG-CD2 3.87Å; M167-F434 HydrophobicContact CG-CE2 3.72Å; M167-F434 HydrophobicContact SD-CD2 3.81Å; M167-F434 HydrophobicContact SD-CE2 3.97Å; I430-F434 WeakPolarHBondContact O-CB 3.25Å; I430-F434 PolarHBondContact O-N 2.79Å; I430-F434 VanDerWaalsContact O-N 3.14Å
435	V	91	Very high	91.4	Very high	90 Å²	90	63.6 Å²	63.6	55%	0.545	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-82.9	123.1	177.2	-176.7	0	0	0	0	110.9	S160 D433	S160-V435 PolarHBondContact OG-O 3.17Å; D433-V435 PolarHBondContact O-N 2.78Å
436	I	94.2	Very high	91.2	Very high	81 Å²	81	63 Å²	63	42%	0.415	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-73.8	124.5	169.8	-63	177.2	0	0	0	108.9	D88 S160	D88-I436 HydrophobicContact CB-CD1 4.46Å; D88-I436 HydrophobicContact CB-CG2 4.4Å; S160-I436 WeakPolarHBondContact O-CA 3.28Å; S160-I436 WeakPolarHBondContact O-CG2 3.29Å
437	F	95.7	Very high	90.9	Very high	24 Å²	24	67.7 Å²	67.7	11%	0.105	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144.3	177.9	-177.7	-107.4	0	0	0	111.5	Q147 L157 Y159 S160 R439 L442	Q147-F437 HydrophobicContact CB-CD2 4.02Å; Q147-F437 HydrophobicContact CB-CE2 3.98Å; Q147-F437 HydrophobicContact CB-CG 4.49Å; Q147-F437 HydrophobicContact CB-CZ 4.41Å; Q147-F437 HydrophobicContact CG-CB 3.98Å; Q147-F437 HydrophobicContact CG-CD1 4.2Å; Q147-F437 HydrophobicContact CG-CD2 3.64Å; Q147-F437 HydrophobicContact CG-CE2 4.08Å; Q147-F437 HydrophobicContact CG-CG 3.7Å; L157-F437 HydrophobicContact CD2-CD1 3.82Å; L157-F437 HydrophobicContact CD2-CE1 4.24Å; L157-F437 HydrophobicContact CD2-CG 4.48Å; L157-F437 HydrophobicContact CG-CD1 4.05Å; L157-F437 HydrophobicContact CG-CE1 4.3Å; Y159-F437 VanDerWaalsContact CA-O 3.25Å; Y159-F437 WeakPolarHBondContact CA-O 3.45Å; S160-F437 PolarHBondContact N-O 3.41Å; S160-F437 PolarHBondContact O-N 3.46Å; S160-F437 VanDerWaalsContact O-N 3.09Å; S160-F437 WeakPolarHBondContact OG-CB 3.43Å; S160-F437 PolarHBondContact OG-N 3.06Å; S160-F437 VanDerWaalsContact OG-N 3.07Å; F437-R439 HydrophobicContact CE1-CB 3.82Å; F437-R439 HydrophobicContact CZ-CB 4.1Å; F437-R439 HydrophobicContact CZ-CG 4.5Å; F437-L442 HydrophobicContact CE2-CD2 4.33Å; F437-L442 HydrophobicContact CZ-CD2 4.43Å
438	N	95.4	Very high	90.5	Very high	27 Å²	27	72.6 Å²	72.6	14%	0.144	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	103.2	174.8	179.6	-13.4	0	0	0	110.1	V89 Y159 E440 K441 L442	V89-N438 WeakPolarHBondContact CG2-ND2 3.47Å; Y159-N438 HydrophobicContact CD1-CB 4.28Å; N438-E440 VanDerWaalsContact C-N 3.33Å; N438-E440 PolarHBondContact O-N 3.11Å; N438-E440 WeakPolarHBondContact OD1-CB 3.43Å; N438-E440 PolarHBondContact OD1-N 2.84Å; N438-K441 HydrophobicContact CB-CB 4Å; N438-K441 WeakPolarHBondContact O-CB 3.46Å; N438-K441 PolarHBondContact O-N 3.24Å; N438-K441 PolarHBondContact OD1-N 3.27Å; N438-K441 VanDerWaalsContact OD1-N 3.11Å; N438-L442 PolarHBondContact O-N 2.91Å; N438-L442 VanDerWaalsContact O-N 3.1Å
439	R	94.8	Very high	89.7	Confident	7 Å²	7	76.7 Å²	76.7	3%	0.026	38%	0.383	C	S	.	.	H	α-helix	trans	-67.3	-29.1	-179.6	-166.1	175.3	-68.2	-82.3	-3.3	113.1	L146 Q147 I149 E150 L157 W158 F437 K441 L442 K443	L146-R439 PolarHBondContact O-NH2 3.32Å; Q147-R439 PolarHBondContact O-NH2 3.14Å; I149-R439 PolarHBondContact O-NH2 3.47Å; E150-R439 WeakPolarHBondContact OE2-CD 3.35Å; E150-R439 IonicContact OE2-CZ 3.86Å; E150-R439 IonicContact OE2-NE 2.75Å; E150-R439 IonicContact OE2-NH1 3.78Å; E150-R439 PolarHBondContact OE2-NH1 2.89Å; L157-R439 PolarHBondContact O-NE 3.27Å; L157-R439 PolarHBondContact O-NH2 3.14Å; W158-R439 HydrophobicContact CE3-CB 4.28Å; W158-R439 PolarHBondContact O-N 2.98Å; F437-R439 HydrophobicContact CE1-CB 3.82Å; F437-R439 HydrophobicContact CZ-CB 4.1Å; F437-R439 HydrophobicContact CZ-CG 4.5Å; R439-K441 VanDerWaalsContact C-N 3.35Å; R439-L442 PolarHBondContact O-N 3.06Å; R439-K443 HydrophobicContact CG-CD 4.43Å; R439-K443 HydrophobicContact CG-CG 4.42Å; R439-K443 WeakPolarHBondContact O-CB 3.04Å; R439-K443 WeakPolarHBondContact O-CG 3.46Å; R439-K443 PolarHBondContact O-N 3.24Å
440	E	91.6	Very high	88.8	Confident	36 Å²	36	81.2 Å²	81.2	17%	0.168	40%	0.401	C	S	.	.	H	α-helix	trans	-64.9	-41.4	174.5	-61.9	-171.6	144.9	0	0	110.9	K113 W158 Y159 N438 R444	K113-E440 IonicContact NZ-OE2 2.72Å; K113-E440 PolarHBondContact NZ-OE2 3.11Å; W158-E440 HydrophobicContact CE3-CG 4.19Å; W158-E440 HydrophobicContact CZ3-CG 4.28Å; Y159-E440 HydrophobicContact CE1-CG 4.16Å; Y159-E440 WeakPolarHBondContact OH-CG 3.39Å; Y159-E440 PolarHBondContact OH-OE1 3.03Å; Y159-E440 VanDerWaalsContact OH-OE1 3.09Å; Y159-E440 PolarHBondContact OH-OE2 3.46Å; N438-E440 VanDerWaalsContact C-N 3.33Å; N438-E440 PolarHBondContact O-N 3.11Å; N438-E440 WeakPolarHBondContact OD1-CB 3.43Å; N438-E440 PolarHBondContact OD1-N 2.84Å; E440-R444 WeakPolarHBondContact O-CG 3.44Å; E440-R444 PolarHBondContact O-N 3.35Å; E440-R444 VanDerWaalsContact O-N 3.07Å
441	K	89.8	Confident	87.3	Confident	102 Å²	102	87.9 Å²	87.9	44%	0.443	43%	0.432	S	S	.	.	H	α-helix	trans	-64.7	-44.9	175.7	-167.4	174.6	-175	174.8	0	110.8	D88 N438 R439 S445	D88-K441 IonicContact OD1-NZ 3.4Å; D88-K441 PolarHBondContact OD1-NZ 3.29Å; D88-K441 VanDerWaalsContact OD1-NZ 3.17Å; N438-K441 HydrophobicContact CB-CB 4Å; N438-K441 WeakPolarHBondContact O-CB 3.46Å; N438-K441 PolarHBondContact O-N 3.24Å; N438-K441 PolarHBondContact OD1-N 3.27Å; N438-K441 VanDerWaalsContact OD1-N 3.11Å; R439-K441 VanDerWaalsContact C-N 3.35Å; K441-S445 PolarHBondContact O-N 3.43Å; K441-S445 VanDerWaalsContact O-N 3.07Å; K441-S445 PolarHBondContact O-OG 3.34Å; K441-S445 VanDerWaalsContact O-OG 3.07Å
442	L	89.3	Confident	85.5	Confident	73 Å²	73	88.5 Å²	88.5	38%	0.382	45%	0.445	S	S	.	.	H	α-helix	trans	-58.3	-49.8	176.3	-175.4	65.6	0	0	0	112.1	F437 N438 R439 S445 Q446	F437-L442 HydrophobicContact CE2-CD2 4.33Å; F437-L442 HydrophobicContact CZ-CD2 4.43Å; N438-L442 PolarHBondContact O-N 2.91Å; N438-L442 VanDerWaalsContact O-N 3.1Å; R439-L442 PolarHBondContact O-N 3.06Å; L442-S445 WeakPolarHBondContact O-CB 3.48Å; L442-S445 PolarHBondContact O-N 3.04Å; L442-Q446 WeakPolarHBondContact O-CG 3.37Å; L442-Q446 PolarHBondContact O-N 3.16Å
443	K	90.4	Very high	83.6	Confident	60 Å²	60	88.7 Å²	88.7	26%	0.261	45%	0.45	S	S	.	.	H	α-helix	trans	-63.7	-46.1	-179.7	-74.4	-173	171.9	-166.7	0	112.9	E150 R439 S445 Q446 E447	E150-K443 VanDerWaalsContact OE1-CE 3.27Å; E150-K443 WeakPolarHBondContact OE1-CE 3.31Å; E150-K443 IonicContact OE1-NZ 2.9Å; E150-K443 PolarHBondContact OE1-NZ 3.12Å; E150-K443 VanDerWaalsContact OE2-CE 3.25Å; E150-K443 WeakPolarHBondContact OE2-CE 3.43Å; E150-K443 IonicContact OE2-NZ 3.17Å; R439-K443 HydrophobicContact CG-CD 4.43Å; R439-K443 HydrophobicContact CG-CG 4.42Å; R439-K443 WeakPolarHBondContact O-CB 3.04Å; R439-K443 WeakPolarHBondContact O-CG 3.46Å; R439-K443 PolarHBondContact O-N 3.24Å; K443-S445 PolarHBondContact O-N 2.87Å; K443-Q446 PolarHBondContact O-N 3.44Å; K443-Q446 VanDerWaalsContact O-N 3.09Å; K443-E447 WeakPolarHBondContact O-CG 3.45Å; K443-E447 PolarHBondContact O-N 3.24Å
444	R	87.5	Confident	81.5	Confident	120 Å²	120	89 Å²	89	45%	0.453	46%	0.457	S	S	.	.	H	α-helix	trans	-57.1	-38.9	174	-71.9	178	-171.7	-179.9	4.8	111.9	D85 E440 L448	D85-R444 IonicContact OD1-CZ 2.76Å; D85-R444 IonicContact OD1-NH1 3.73Å; D85-R444 PolarHBondContact OD1-NH1 3.24Å; D85-R444 IonicContact OD1-NH2 3.69Å; E440-R444 WeakPolarHBondContact O-CG 3.44Å; E440-R444 PolarHBondContact O-N 3.35Å; E440-R444 VanDerWaalsContact O-N 3.07Å; R444-L448 WeakPolarHBondContact O-CB 3.49Å; R444-L448 WeakPolarHBondContact O-CD1 3.43Å; R444-L448 VanDerWaalsContact O-CG 3.29Å; R444-L448 WeakPolarHBondContact O-CG 3.49Å; R444-L448 PolarHBondContact O-N 3.15Å
445	S	86.1	Confident	79.1	Confident	56 Å²	56	93.7 Å²	93.7	39%	0.392	49%	0.491	S	S	.	.	H	α-helix	trans	-67.4	-38.1	176.3	-62.9	0	0	0	0	112.9	K441 L442 K443 M449	K441-S445 PolarHBondContact O-N 3.43Å; K441-S445 VanDerWaalsContact O-N 3.07Å; K441-S445 PolarHBondContact O-OG 3.34Å; K441-S445 VanDerWaalsContact O-OG 3.07Å; L442-S445 WeakPolarHBondContact O-CB 3.48Å; L442-S445 PolarHBondContact O-N 3.04Å; K443-S445 PolarHBondContact O-N 2.87Å; S445-M449 WeakPolarHBondContact O-CG 3.39Å; S445-M449 PolarHBondContact O-N 2.81Å; S445-M449 VanDerWaalsContact O-N 3.16Å
446	Q	85.1	Confident	76.8	Confident	97 Å²	97	95.3 Å²	95.3	45%	0.453	50%	0.503	S	S	.	.	H	α-helix	trans	-68.3	-41.2	175.1	-70.2	168.9	-20.2	0	0	112.1	L442 K443 M449 N450	L442-Q446 WeakPolarHBondContact O-CG 3.37Å; L442-Q446 PolarHBondContact O-N 3.16Å; K443-Q446 PolarHBondContact O-N 3.44Å; K443-Q446 VanDerWaalsContact O-N 3.09Å; Q446-M449 PolarHBondContact O-N 2.93Å; Q446-N450 WeakPolarHBondContact O-CB 3.48Å; Q446-N450 PolarHBondContact O-N 3.09Å; Q446-N450 VanDerWaalsContact O-N 3.08Å
447	E	84.7	Confident	74.4	Confident	126 Å²	126	100.4 Å²	100.4	59%	0.589	53%	0.525	S	S	*	.	H	α-helix	trans	-59.1	-47.4	174	-71.8	165.2	-178.4	0	0	111	K443 M449 N450 E451	K443-E447 WeakPolarHBondContact O-CG 3.45Å; K443-E447 PolarHBondContact O-N 3.24Å; E447-M449 VanDerWaalsContact C-N 3.26Å; E447-M449 PolarHBondContact O-N 3.43Å; E447-N450 PolarHBondContact O-N 3.45Å; E447-N450 VanDerWaalsContact O-N 3.1Å; E447-E451 PolarHBondContact O-N 3.06Å; E447-E451 VanDerWaalsContact O-N 3.1Å
448	L	81.9	Confident	71.8	Confident	135 Å²	135	105.3 Å²	105.3	71%	0.707	56%	0.558	S	S	*	*	H	α-helix	trans	-63.3	-25.9	176.2	-75.4	164.9	0	0	0	114.3	R444	R444-L448 WeakPolarHBondContact O-CB 3.49Å; R444-L448 WeakPolarHBondContact O-CD1 3.43Å; R444-L448 VanDerWaalsContact O-CG 3.29Å; R444-L448 WeakPolarHBondContact O-CG 3.49Å; R444-L448 PolarHBondContact O-N 3.15Å
449	M	75.3	Confident	69.2	Low	158 Å²	158	109.8 Å²	109.8	78%	0.778	59%	0.588	S	S	*	*	H	α-helix	trans	-83	-22.1	174.5	-72.8	-180	-177.3	0	0	113.1	S445 Q446 E447	S445-M449 WeakPolarHBondContact O-CG 3.39Å; S445-M449 PolarHBondContact O-N 2.81Å; S445-M449 VanDerWaalsContact O-N 3.16Å; Q446-M449 PolarHBondContact O-N 2.93Å; E447-M449 VanDerWaalsContact C-N 3.26Å; E447-M449 PolarHBondContact O-N 3.43Å
450	N	72.2	Confident	66.4	Low	135 Å²	135	116.9 Å²	116.9	72%	0.722	63%	0.627	S	S	*	*	H	α-helix	trans	-99.1	-4.6	-178	-74.3	-18.4	0	0	0	113.8	Q446 E447	Q446-N450 WeakPolarHBondContact O-CB 3.48Å; Q446-N450 PolarHBondContact O-N 3.09Å; Q446-N450 VanDerWaalsContact O-N 3.08Å; E447-N450 PolarHBondContact O-N 3.45Å; E447-N450 VanDerWaalsContact O-N 3.1Å
451	E	60.5	Low	63.9	Low	145 Å²	145	123.6 Å²	123.6	68%	0.678	66%	0.66	S	S	*	*	S	Bend	trans	-58	122.1	168.3	-90.6	-78.8	123.4	0	0	110.1	E447 L453	E447-E451 PolarHBondContact O-N 3.06Å; E447-E451 VanDerWaalsContact O-N 3.1Å; E451-L453 PolarHBondContact O-N 3.47Å
452	P	53.9	Low	61.5	Low	106 Å²	106	125.3 Å²	125.3	69%	0.688	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-66.1	128.8	177.6	27	-32.6	0	0	0	109.8
453	L	51.5	Low	58.9	Low	161 Å²	161	128.5 Å²	128.5	84%	0.843	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-46.3	129.1	174.6	-77.8	162.7	0	0	0	110.4	E451 C455	E451-L453 PolarHBondContact O-N 3.47Å; L453-C455 PolarHBondContact O-N 3.39Å
454	P	47.9	Very low	56.2	Low	117 Å²	117	130.9 Å²	130.9	76%	0.76	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-53.3	130.4	174.6	-25.5	33.7	0	0	0	110
455	C	41.3	Very low	53.6	Low	112 Å²	112	131.3 Å²	131.3	76%	0.757	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-55.2	132.6	170.6	-64.9	0	0	0	0	108.2	L453 E457	L453-C455 PolarHBondContact O-N 3.39Å; C455-E457 PolarHBondContact O-N 3.34Å
456	P	44.3	Very low	51.1	Low	124 Å²	124	132.9 Å²	132.9	81%	0.805	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-60	118.4	-177.2	23.4	-32.7	0	0	0	109.3	T458	P456-T458 PolarHBondContact O-N 3.34Å
457	E	43.9	Very low	48.6	Very low	187 Å²	187	135.7 Å²	135.7	87%	0.874	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-56.7	126.3	175.7	-65.7	-177.7	146.1	0	0	108.8	C455	C455-E457 PolarHBondContact O-N 3.34Å
458	T	41.1	Very low	46	Very low	128 Å²	128	134.3 Å²	134.3	79%	0.785	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-61.4	126.9	172.9	46	0	0	0	0	108.4	P456 D460	P456-T458 PolarHBondContact O-N 3.34Å; T458-D460 PolarHBondContact O-N 3.12Å; T458-D460 VanDerWaalsContact O-N 3.15Å
459	P	40.3	Very low	43.6	Very low	121 Å²	121	136.2 Å²	136.2	79%	0.786	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-63.6	121.1	-176.4	25.3	-33.4	0	0	0	109.9	M461	P459-M461 PolarHBondContact O-N 2.72Å
460	D	36.8	Very low	41.6	Very low	156 Å²	156	134.3 Å²	134.3	83%	0.834	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-65.4	118	179.9	-154.3	8.5	0	0	0	109.2	T458 T462	T458-D460 PolarHBondContact O-N 3.12Å; T458-D460 VanDerWaalsContact O-N 3.15Å; D460-T462 PolarHBondContact O-N 2.64Å
461	M	37.3	Very low	40	Very low	176 Å²	176	136.9 Å²	136.9	87%	0.867	79%	0.786	S	S	*	*			trans	-74.1	99.4	-178.5	-84.7	-74.4	-143.2	0	0	109.3	P459 D463	P459-M461 PolarHBondContact O-N 2.72Å; M461-D463 PolarHBondContact O-N 3.15Å; M461-D463 VanDerWaalsContact O-N 3.1Å
462	T	40	Very low	39.9	Very low	139 Å²	139	134.5 Å²	134.5	85%	0.853	78%	0.783	S	S	*	*			trans	-68.4	103.9	165.4	52.1	0	0	0	0	109.5	D460	D460-T462 PolarHBondContact O-N 2.64Å
463	D	34.6	Very low	38.8	Very low	140 Å²	140	136.3 Å²	136.3	75%	0.749	79%	0.792	S	S	*	*			trans	-117.8	125.9	159.3	-163.5	-5.7	0	0	0	109.7	M461	M461-D463 PolarHBondContact O-N 3.15Å; M461-D463 VanDerWaalsContact O-N 3.1Å
464	S	33.2	Very low	37.9	Very low	110 Å²	110	132.9 Å²	132.9	77%	0.769	79%	0.788	S	S	*	*			trans	-141.2	75	-177.9	67.1	0	0	0	0	109.6
465	T	33.4	Very low	37.1	Very low	128 Å²	128	135.1 Å²	135.1	79%	0.785	79%	0.792	S	S	*	*			trans	-137.5	131.5	157.1	43.6	0	0	0	0	110.7
466	A	33.5	Very low	37.5	Very low	89 Å²	89	135 Å²	135	74%	0.736	79%	0.79	S	S	*	*			trans	-98.2	137.3	164.9	0	0	0	0	0	108
467	D	32	Very low	37	Very low	156 Å²	156	137.5 Å²	137.5	83%	0.834	79%	0.793	S	S	*	*				-177.4	156.3	111.7	-107.1	-29.4	0	0	0	114
468	S	30.7	Very low	36.4	Very low	97 Å²	97	134.4 Å²	134.4	68%	0.678	79%	0.791	S	S	*	*			trans	65.2	115.5	152.4	58	0	0	0	0	122.5
469	E	32.7	Very low	36	Very low	175 Å²	175	131.4 Å²	131.4	82%	0.818	79%	0.785	S	S	*	*				91.4	119.1	124.8	-70.2	-171.5	157.3	0	0	124.2
470	T	32.7	Very low	35.8	Very low	119 Å²	119	131.1 Å²	131.1	73%	0.73	79%	0.786	S	S	*	*			trans	77.4	104.3	138.6	53.8	0	0	0	0	122.7
471	E	37.3	Very low	35.7	Very low	188 Å²	188	131.4 Å²	131.4	88%	0.879	79%	0.786	S	S	*	*				65	152.1	129.6	-78.6	-85.5	115.5	0	0	121.4
472	P	58.7	Low	35.6	Very low	95 Å²	95	128.4 Å²	128.4	62%	0.617	78%	0.781	S	S	*	*			trans	-112.1	169.2	-158.5	41.7	-33.7	0	0	0	114.6
473	T	30.8	Very low	36.6	Very low	144 Å²	144	127.4 Å²	127.4	88%	0.883	78%	0.777	S	S	*	*			trans	-160.1	142.8	145.3	-3.7	0	0	0	0	115.4
474	A	32.2	Very low	36.7	Very low	90 Å²	90	125.7 Å²	125.7	74%	0.744	78%	0.776	S	S	*	*			trans	67.4	98.2	145.2	0	0	0	0	0	121.4
475	L	32.4	Very low	37	Very low	164 Å²	164	126 Å²	126	86%	0.859	78%	0.778	S	S	*	*			trans	-40.7	165.5	130.7	-67.7	171.7	0	0	0	112.5
476	P	48.5	Very low	36.9	Very low	109 Å²	109	123.8 Å²	123.8	71%	0.708	78%	0.78	S	S	*	*			cis	-151.7	-178.2	34.3	38.5	-14.5	0	0	0	118.7
477	M	34.4	Very low	37.4	Very low	176 Å²	176	125.1 Å²	125.1	87%	0.867	78%	0.784	S	S	*	*			trans	28.6	146.4	137.2	-54	-80.8	-165.6	0	0	119.1
478	C	32.5	Very low	37.9	Very low	123 Å²	123	127.2 Å²	127.2	83%	0.831	81%	0.811	S	S	*	*			cis	-160.8	175.5	17.9	-132.5	0	0	0	0	105.4
479	G	31.5	Very low	38.3	Very low	64 Å²	64	128.7 Å²	128.7	66%	0.66	82%	0.818	S	S	*	*			cis	165.9	153.8	24.7	0	0	0	0	0	107.6
480	S	35.9	Very low	38.6	Very low	115 Å²	115	126.3 Å²	126.3	80%	0.804	82%	0.818	S	S	*	*			trans	-71.8	161.4	-169.6	-45.9	0	0	0	0	114.2
481	I	35	Very low	38.9	Very low	163 Å²	163	126.7 Å²	126.7	84%	0.836	82%	0.822	S	S	*	*				165.8	136.6	117.3	-84.9	153.9	0	0	0	111.4
482	C	36.2	Very low	39	Very low	113 Å²	113	123.1 Å²	123.1	76%	0.764	82%	0.819	S	S	*	*			trans	-89	-152.7	174.8	-39.7	0	0	0	0	110.4
483	P	59.7	Low	37.8	Very low	117 Å²	117	124.8 Å²	124.8	76%	0.76	83%	0.832	S	S	*	*				-119.8	-176.7	-56.1	32.2	-15.8	0	0	0	111.1
484	S	36.8	Very low	38.2	Very low	104 Å²	104	123.5 Å²	123.5	73%	0.727	83%	0.828	S	S	*	*				158.5	139.8	117	56.3	0	0	0	0	115.2
485	S	39.8	Very low	38.7	Very low	118 Å²	118	125.9 Å²	125.9	83%	0.825	83%	0.834	S	S	*	*			trans	47.3	134.2	144.5	61	0	0	0	0	122.4
486	G	32.4	Very low	39.1	Very low	80 Å²	80	123 Å²	123	83%	0.825	83%	0.833	S	S	*	*			trans	-176.2	104.9	158.6	0	0	0	0	0	112.1
487	S	42.5	Very low	38.4	Very low	118 Å²	118	124.2 Å²	124.2	83%	0.825	84%	0.843	S	S	*	*			trans	-77.6	154.5	-177.4	-44.2	0	0	0	0	113.8
488	S	43.7	Very low	38.7	Very low	199 Å²	199	119.5 Å²	119.5	100%	1.392	84%	0.841	S	S	*	*				-160.3	0	127.4	-74	0	0	0	0	109.4

Retrieved 488 of 488 residues in 384.7 ms (Link to these results)

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