A0A087YJ23_POEFO Loading...

Mitochondrial calcium uptake 2

AlphaFold DB , UniProt , Accession A0A087YJ23, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 422 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	30.9	Very low	31.1	Very low	245 Å²	245	161.4 Å²	161.4	100%	1.207	87%	0.872	S	S	*	*				0	127.9	0	-66.1	-178.3	-155.6	0	0	107.7
2	A	29.9	Very low	30.8	Very low	94 Å²	94	167.3 Å²	167.3	78%	0.777	87%	0.872	S	S	*	*			trans	57	65.3	-178.1	0	0	0	0	0	116.9
3	S	24	Very low	30.4	Very low	116 Å²	116	165.6 Å²	165.6	81%	0.811	87%	0.865	S	S	*	*				66.3	67	101.9	-171.8	0	0	0	0	115.6
4	W	33.9	Very low	30.4	Very low	269 Å²	269	164.6 Å²	164.6	100%	1.019	87%	0.868	S	S	*	*			trans	-88.5	99.3	156.5	-83.3	36.6	0	0	0	108.4
5	G	27.3	Very low	30.3	Very low	57 Å²	57	159.8 Å²	159.8	59%	0.588	86%	0.862	S	S	*	*			trans	-139.9	122	177.4	0	0	0	0	0	109.7
6	K	31.2	Very low	30.3	Very low	192 Å²	192	165 Å²	165	84%	0.835	87%	0.865	S	S	*	*			trans	92.4	75.6	168	-51.7	176.5	-177.3	-179.7	0	116.7
7	F	30.2	Very low	30	Very low	217 Å²	217	161.2 Å²	161.2	95%	0.952	86%	0.855	S	S	*	*			trans	-137.4	43.6	149.5	-96.1	-75.8	0	0	0	111.7
8	T	34.3	Very low	29.9	Very low	138 Å²	138	158.3 Å²	158.3	85%	0.847	85%	0.851	S	S	*	*			trans	-129.6	79.2	171.5	55.9	0	0	0	0	109.9
9	A	33.3	Very low	29.8	Very low	96 Å²	96	162.3 Å²	162.3	79%	0.793	85%	0.852	S	S	*	*			trans	-177.6	112.6	154	0	0	0	0	0	108.6
10	V	32.8	Very low	29.9	Very low	131 Å²	131	160.7 Å²	160.7	79%	0.794	85%	0.849	S	S	*	*			trans	147	68.3	150.1	174.4	0	0	0	0	106.8
11	F	33.9	Very low	29.7	Very low	220 Å²	220	161.3 Å²	161.3	97%	0.965	85%	0.852	S	S	*	*			trans	-155.8	77.8	152.5	-90.7	-68.6	0	0	0	107.1
12	R	27.5	Very low	29.6	Very low	232 Å²	232	158.8 Å²	158.8	88%	0.875	83%	0.834	S	S	*	*			trans	-152.7	103.9	163.8	-143.4	-179.3	-154.4	165.7	6.9	108.8
13	N	26.2	Very low	29.4	Very low	146 Å²	146	159.7 Å²	159.7	78%	0.781	84%	0.835	S	S	*	*			trans	157.7	92.3	134.3	-79.8	-13.2	0	0	0	110.3
14	V	30.1	Very low	29.5	Very low	151 Å²	151	159.1 Å²	159.1	92%	0.915	83%	0.831	S	S	*	*			trans	-137.5	95.3	136.6	179	0	0	0	0	106.1
15	A	28.7	Very low	29.3	Very low	93 Å²	93	152.1 Å²	152.1	77%	0.769	82%	0.818	S	S	*	*			trans	-78.2	125.7	170.6	0	0	0	0	0	108.7
16	R	30.1	Very low	29.4	Very low	243 Å²	243	154.3 Å²	154.3	92%	0.917	83%	0.831	S	S	*	*			trans	-64.6	128.4	158.7	-86.1	177.8	168.6	163.4	-3.1	108.7
17	S	25.1	Very low	29.3	Very low	100 Å²	100	154.2 Å²	154.2	70%	0.699	83%	0.831	S	S	*	*			trans	-140.2	103	155.1	172.1	0	0	0	0	108.7
18	S	28.5	Very low	29.2	Very low	110 Å²	110	156 Å²	156	77%	0.769	83%	0.831	S	S	*	*			trans	-69.4	129.7	158.1	42.9	0	0	0	0	109.2
19	R	27.6	Very low	29	Very low	234 Å²	234	153.6 Å²	153.6	88%	0.883	83%	0.825	S	S	*	*			trans	-158.2	109.1	149.1	-116.5	-179.2	-87.3	-169.1	-3	110.8
20	V	32.9	Very low	29	Very low	129 Å²	129	157.3 Å²	157.3	78%	0.782	83%	0.83	S	S	*	*			trans	-62.6	132.7	160	170.8	0	0	0	0	108.6
21	L	26.1	Very low	28.8	Very low	175 Å²	175	154.5 Å²	154.5	92%	0.916	83%	0.827	S	S	*	*			trans	-151.8	130	146.1	-143.2	77.2	0	0	0	111.4
22	K	28.1	Very low	28.7	Very low	191 Å²	191	150.3 Å²	150.3	83%	0.83	83%	0.825	S	S	*	*			trans	-66.7	166.1	178.3	-75.3	173.8	166.7	174.5	0	113.2
23	S	25.5	Very low	28.9	Very low	114 Å²	114	142.6 Å²	142.6	80%	0.797	82%	0.818	S	S	*	*			trans	90.4	114.8	143.5	-173.7	0	0	0	0	117.7
24	S	25.9	Very low	29.3	Very low	104 Å²	104	141.9 Å²	141.9	73%	0.727	82%	0.819	S	S	*	*				170	148.2	84.5	-168.7	0	0	0	0	110.7
25	T	30.7	Very low	29.5	Very low	122 Å²	122	143 Å²	143	75%	0.748	82%	0.819	S	S	*	*			trans	-54	149.2	171.3	41.5	0	0	0	0	114.4
26	A	29.3	Very low	29.7	Very low	103 Å²	103	142.4 Å²	142.4	85%	0.851	82%	0.821	S	S	*	*			trans	-131.4	109.7	156.2	0	0	0	0	0	109.1
27	F	29	Very low	30.1	Very low	190 Å²	190	136.3 Å²	136.3	83%	0.833	82%	0.816	S	S	*	*			trans	-57.4	142.5	165.7	-97.6	-103.8	0	0	0	110.9
28	R	28.1	Very low	31.2	Very low	254 Å²	254	138.2 Å²	138.2	96%	0.958	82%	0.823	S	S	*	*			trans	-135.8	116	145.3	-121.3	178.6	-176.3	166.1	1.2	109.3
29	A	29.7	Very low	32.1	Very low	87 Å²	87	139.9 Å²	139.9	72%	0.719	83%	0.828	S	S	*	*			trans	-82.9	138.4	179.6	0	0	0	0	0	111.4
30	I	32.9	Very low	32.8	Very low	175 Å²	175	131.4 Å²	131.4	90%	0.897	81%	0.813	S	S	*	*			trans	-151.6	112.9	149.2	-56	-176.2	0	0	0	102.2
31	G	28.9	Very low	33.5	Very low	72 Å²	72	131.3 Å²	131.3	74%	0.742	81%	0.814	S	S	*	*				123.3	113	57.9	0	0	0	0	0	105.5
32	S	31.2	Very low	34.2	Very low	131 Å²	131	125.9 Å²	125.9	92%	0.916	80%	0.8	S	S	*	*			trans	-67.6	145.2	-172.6	44.9	0	0	0	0	114.6
33	G	31.6	Very low	35	Very low	70 Å²	70	119.5 Å²	119.5	72%	0.722	79%	0.788	S	S	*	*			trans	-175.2	76.8	168.1	0	0	0	0	0	115.9
34	V	35.5	Very low	36.1	Very low	132 Å²	132	119.6 Å²	119.6	80%	0.8	78%	0.779	S	S	*	*			trans	49.5	111.6	138.2	-174.1	0	0	0	0	120.9
35	L	33.3	Very low	37.4	Very low	175 Å²	175	119.2 Å²	119.2	92%	0.916	78%	0.775	S	S	*	*			trans	35.3	128.1	132.6	-73.4	146.4	0	0	0	121.4
36	G	33.6	Very low	38.4	Very low	79 Å²	79	121.4 Å²	121.4	81%	0.814	77%	0.771	S	S	*	*			trans	176.4	107.4	157	0	0	0	0	0	114.5
37	S	38.1	Very low	39.6	Very low	116 Å²	116	124 Å²	124	81%	0.811	76%	0.76	S	S	*	*			trans	-44	137	-174.2	-67.2	0	0	0	0	119.2	V39	S37-V39 PolarHBondContact O-N 3.34Å
38	V	49.8	Very low	40.8	Very low	139 Å²	139	123.5 Å²	123.5	84%	0.842	75%	0.754	S	S	*	*				12.9	100.5	119.3	-171.2	0	0	0	0	115
39	V	46.8	Very low	41.9	Very low	145 Å²	145	121.5 Å²	121.5	88%	0.879	75%	0.748	S	S	*	*			trans	172.4	96.5	136.7	172.6	0	0	0	0	104.7	S37	S37-V39 PolarHBondContact O-N 3.34Å
40	G	41.7	Very low	42.6	Very low	56 Å²	56	124 Å²	124	58%	0.577	74%	0.744	S	S	*	*			trans	177.1	-2.3	-179.5	0	0	0	0	0	119.2
41	T	48.3	Very low	43.2	Very low	128 Å²	128	122.5 Å²	122.5	79%	0.785	73%	0.733	S	S	*	*	S	Bend	trans	-102.6	-11.8	-175.9	46.6	0	0	0	0	114.6
42	G	41.3	Very low	43.9	Very low	61 Å²	61	122.9 Å²	122.9	63%	0.629	73%	0.73	S	S	*	*	H	α-helix	trans	-79.1	-30.8	179.1	0	0	0	0	0	115.1
43	G	43.7	Very low	44.3	Very low	57 Å²	57	124 Å²	124	59%	0.588	73%	0.725	S	S	*	*	H	α-helix	trans	-79.7	-31.6	-174.5	0	0	0	0	0	114.8	Y47	G43-Y47 PolarHBondContact O-N 2.76Å
44	L	49.3	Very low	44.6	Very low	115 Å²	115	127.2 Å²	127.2	60%	0.602	73%	0.731	S	S	*	*	H	α-helix	trans	-74.1	-34.5	-178.9	-88.1	153.8	0	0	0	112.6	Y48	L44-Y48 HydrophobicContact CD2-CE2 4.48Å; L44-Y48 WeakPolarHBondContact O-CD2 3.37Å; L44-Y48 PolarHBondContact O-N 2.99Å
45	C	51.9	Low	44.4	Very low	96 Å²	96	132.2 Å²	132.2	65%	0.649	74%	0.735	S	S	*	*	H	α-helix	trans	-72.3	-35.4	176.7	-75.8	0	0	0	0	112.9	Y49	C45-Y49 WeakPolarHBondContact O-CB 3.29Å; C45-Y49 PolarHBondContact O-N 3.49Å
46	Y	52.8	Low	44.6	Very low	169 Å²	169	130.5 Å²	130.5	66%	0.663	73%	0.732	S	S	*	*	H	α-helix	trans	-71.4	-36.3	177.8	-167.2	-97.1	0	0	0	112.1	Y49 H50	Y46-Y49 PolarHBondContact O-N 3.15Å; Y46-H50 WeakPolarHBondContact O-CB 3.36Å; Y46-H50 PolarHBondContact O-N 2.96Å; Y46-H50 VanDerWaalsContact O-N 3.17Å
47	Y	53.5	Low	44.5	Very low	157 Å²	157	134.2 Å²	134.2	62%	0.616	73%	0.733	S	S	*	*	H	α-helix	trans	-70.1	-39.3	178.4	-158.6	-96.1	0	0	0	112.5	G43 H51	G43-Y47 PolarHBondContact O-N 2.76Å; Y47-H51 AromaticContact CZ-CD2 4Å; Y47-H51 WeakPolarHBondContact O-CB 3.49Å; Y47-H51 PolarHBondContact O-N 3.11Å
48	Y	53.9	Low	44.2	Very low	179 Å²	179	133.1 Å²	133.1	70%	0.702	72%	0.722	S	S	*	*	H	α-helix	trans	-70.3	-32.9	175.5	-94.7	-83.8	0	0	0	113.4	L44	L44-Y48 HydrophobicContact CD2-CE2 4.48Å; L44-Y48 WeakPolarHBondContact O-CD2 3.37Å; L44-Y48 PolarHBondContact O-N 2.99Å
49	Y	51.9	Low	43.3	Very low	213 Å²	213	136.8 Å²	136.8	84%	0.835	73%	0.727	S	S	*	*	H	α-helix	trans	-75.5	-28.6	179.9	-147.6	-93.4	0	0	0	112.6	C45 Y46	C45-Y49 WeakPolarHBondContact O-CB 3.29Å; C45-Y49 PolarHBondContact O-N 3.49Å; Y46-Y49 PolarHBondContact O-N 3.15Å
50	H	44.6	Very low	42.4	Very low	139 Å²	139	135 Å²	135	64%	0.644	72%	0.717	S	S	*	*	H	α-helix	trans	-91.2	-13	-177.7	-151.4	-69.3	0	0	0	114.1	Y46	Y46-H50 WeakPolarHBondContact O-CB 3.36Å; Y46-H50 PolarHBondContact O-N 2.96Å; Y46-H50 VanDerWaalsContact O-N 3.17Å
51	H	45.3	Very low	41.9	Very low	143 Å²	143	138.6 Å²	138.6	66%	0.662	73%	0.728	S	S	*	*	S	Bend	trans	-104.2	4.2	-175.8	-121.7	-72.6	0	0	0	115.7	Y47	Y47-H51 AromaticContact CZ-CD2 4Å; Y47-H51 WeakPolarHBondContact O-CB 3.49Å; Y47-H51 PolarHBondContact O-N 3.11Å
52	A	43.3	Very low	41.1	Very low	81 Å²	81	140.2 Å²	140.2	67%	0.669	73%	0.73	S	S	*	*	S	Bend	trans	-110.9	27.1	-175.4	0	0	0	0	0	114.7
53	N	39.8	Very low	40.5	Very low	153 Å²	153	141.1 Å²	141.1	82%	0.818	73%	0.732	S	S	*	*			trans	-152.2	75.8	175.4	-136.7	10.6	0	0	0	114
54	V	37.8	Very low	39.9	Very low	139 Å²	139	147.3 Å²	147.3	84%	0.842	75%	0.746	S	S	*	*			trans	-163.1	94.5	141.6	-179.6	0	0	0	0	108
55	R	32.2	Very low	39	Very low	236 Å²	236	150.3 Å²	150.3	89%	0.891	76%	0.757	S	S	*	*			trans	-160.7	98.5	146.8	-112.3	177.6	-174.2	-179.1	1.9	108.7	L57	R55-L57 PolarHBondContact O-N 3.28Å
56	T	37.1	Very low	38	Very low	139 Å²	139	154.4 Å²	154.4	85%	0.853	77%	0.766	S	S	*	*			trans	-54.8	122.1	166.4	35.9	0	0	0	0	110.2
57	L	31.5	Very low	37	Very low	158 Å²	158	155.1 Å²	155.1	83%	0.827	77%	0.773	S	S	*	*			trans	-137.4	150.1	165.1	-86.6	170.8	0	0	0	108.7	R55	R55-L57 PolarHBondContact O-N 3.28Å
58	P	32.2	Very low	36	Very low	92 Å²	92	155.7 Å²	155.7	60%	0.597	79%	0.786	S	S	*	*			trans	-80.2	155.4	-143.1	31.2	-34.7	0	0	0	112.9	T60	P58-T60 PolarHBondContact O-N 3Å; P58-T60 PolarHBondContact O-OG1 3.2Å; P58-T60 VanDerWaalsContact O-OG1 3.08Å
59	F	31.2	Very low	35.1	Very low	216 Å²	216	155.2 Å²	155.2	95%	0.947	79%	0.79	S	S	*	*			trans	-50.2	102.8	159.7	-93.8	-93.6	0	0	0	108.7
60	T	27.4	Very low	34.3	Very low	108 Å²	108	153.3 Å²	153.3	66%	0.663	79%	0.789	S	S	*	*			trans	-107.1	104.6	170.2	-36	0	0	0	0	104.6	P58 L62	P58-T60 PolarHBondContact O-N 3Å; P58-T60 PolarHBondContact O-OG1 3.2Å; P58-T60 VanDerWaalsContact O-OG1 3.08Å; T60-L62 VanDerWaalsContact C-N 3.31Å; T60-L62 PolarHBondContact O-N 3.02Å
61	V	30.2	Very low	33.7	Very low	132 Å²	132	152.6 Å²	152.6	80%	0.8	80%	0.796	S	S	*	*			trans	-61.2	101.3	165.8	177	0	0	0	0	105.3	A63	V61-A63 PolarHBondContact O-N 3.46Å
62	L	31.5	Very low	33.7	Very low	161 Å²	161	149.5 Å²	149.5	84%	0.843	80%	0.796	S	S	*	*			trans	-67.2	97.5	163.4	-77.6	165.7	0	0	0	105.2	T60 E64	T60-L62 VanDerWaalsContact C-N 3.31Å; T60-L62 PolarHBondContact O-N 3.02Å; L62-E64 PolarHBondContact O-N 3.37Å
63	A	30.6	Very low	33.7	Very low	81 Å²	81	149.6 Å²	149.6	67%	0.669	80%	0.797	S	S	*	*			trans	-49	128.2	160.4	0	0	0	0	0	106.8	V61 E65	V61-A63 PolarHBondContact O-N 3.46Å; A63-E65 PolarHBondContact O-N 2.96Å
64	E	31.1	Very low	34.2	Very low	186 Å²	186	147.6 Å²	147.6	87%	0.869	79%	0.792	S	S	*	*			trans	-45	113.2	170	-168.6	160.5	-167.5	0	0	107.2	L62 E66	L62-E64 PolarHBondContact O-N 3.37Å; E64-E66 PolarHBondContact O-N 3.1Å
65	E	29	Very low	35.4	Very low	178 Å²	178	150.2 Å²	150.2	83%	0.832	80%	0.795	S	S	*	*			trans	-54.4	112	165.9	-80	-177.4	160	0	0	104.8	A63 K67	A63-E65 PolarHBondContact O-N 2.96Å; E65-K67 PolarHBondContact O-N 3.5Å
66	E	31.7	Very low	37.4	Very low	182 Å²	182	143.3 Å²	143.3	85%	0.85	78%	0.775	S	S	*	*			trans	-54.1	91.3	161.6	-89.9	-175.4	144.5	0	0	105.6	E64 L68	E64-E66 PolarHBondContact O-N 3.1Å; E66-L68 PolarHBondContact O-N 3.09Å
67	K	31.5	Very low	39.6	Very low	184 Å²	184	139.4 Å²	139.4	80%	0.8	75%	0.753	S	S	*	*			trans	-53.4	105.1	151.5	-81.7	-174.4	178	-178.8	0	103.1	E65 Q69	E65-K67 PolarHBondContact O-N 3.5Å; K67-Q69 PolarHBondContact O-N 3.24Å
68	L	33.1	Very low	42	Very low	169 Å²	169	134.1 Å²	134.1	89%	0.885	73%	0.732	S	S	*	*			trans	-49.4	96.1	152.9	-103.1	95	0	0	0	104.5	E66 E70	E66-L68 PolarHBondContact O-N 3.09Å; L68-E70 PolarHBondContact O-N 3.25Å
69	Q	34.3	Very low	44.5	Very low	169 Å²	169	134.9 Å²	134.9	79%	0.79	72%	0.723	S	S	*	*			trans	-63.5	97.7	168.6	-113.5	169.8	5	0	0	103	K67 P71	K67-Q69 PolarHBondContact O-N 3.24Å; Q69-P71 VanDerWaalsContact O-N 3.17Å
70	E	34.4	Very low	47.2	Very low	173 Å²	173	126.3 Å²	126.3	81%	0.808	69%	0.686	S	S	*	*			trans	-44.6	126.7	148.1	-75.3	-163.6	157.1	0	0	105.5	L68 A72	L68-E70 PolarHBondContact O-N 3.25Å; E70-A72 PolarHBondContact O-N 3.15Å
71	P	33.3	Very low	50	Low	124 Å²	124	125.3 Å²	125.3	81%	0.805	68%	0.676	S	S	*	*			trans	-56.8	108.8	-171.7	21.6	-31.2	0	0	0	107	Q69 A73	Q69-P71 VanDerWaalsContact O-N 3.17Å; P71-A73 PolarHBondContact O-N 3.06Å
72	A	44	Very low	52.8	Low	79 Å²	79	120.9 Å²	120.9	65%	0.653	64%	0.644	S	S	*	*			trans	-51.5	119.8	-179.1	0	0	0	0	0	106.3	E70 P74	E70-A72 PolarHBondContact O-N 3.15Å; A72-P74 VanDerWaalsContact O-N 3.12Å
73	A	43.9	Very low	55.7	Low	83 Å²	83	113.2 Å²	113.2	69%	0.686	60%	0.604	S	S	*	*			trans	-45.9	127.2	180	0	0	0	0	0	107.8	P71 Q75	P71-A73 PolarHBondContact O-N 3.06Å; A73-Q75 PolarHBondContact O-N 3.13Å
74	P	50.5	Low	58.5	Low	110 Å²	110	112 Å²	112	71%	0.714	59%	0.586	S	S	*	*			trans	-53.7	118	-168.6	16.2	-28.8	0	0	0	109.1	A72 L76	A72-P74 VanDerWaalsContact O-N 3.12Å; P74-L76 PolarHBondContact O-N 2.89Å
75	Q	62.8	Low	61.3	Low	194 Å²	194	106 Å²	106	91%	0.907	56%	0.558	S	S	*	*			trans	-57.8	109.7	-177.1	-72.9	-170.5	0.2	0	0	108.6	A73	A73-Q75 PolarHBondContact O-N 3.13Å
76	L	74.9	Confident	64.3	Low	91 Å²	91	97.5 Å²	97.5	48%	0.476	52%	0.518	S	S	.	.			trans	-69.1	134.6	-179.7	-63.1	175.5	0	0	0	108.5	P74 K80 I81 I84	P74-L76 PolarHBondContact O-N 2.89Å; L76-K80 HydrophobicContact CD2-CG 4.1Å; L76-I81 HydrophobicContact CB-CD1 4.38Å; L76-I81 HydrophobicContact CB-CG1 3.81Å; L76-I84 HydrophobicContact CD1-CD1 3.85Å
77	S	82.1	Confident	67.3	Low	57 Å²	57	88.9 Å²	88.9	40%	0.399	48%	0.478	S	S	.	.			trans	-61.8	151.2	174.7	70.2	0	0	0	0	110.6	R79 K80 I81 Y153	S77-R79 PolarHBondContact O-N 3.46Å; S77-R79 VanDerWaalsContact O-N 3.13Å; S77-K80 WeakPolarHBondContact O-CA 3.38Å; S77-K80 WeakPolarHBondContact O-CB 3.37Å; S77-K80 PolarHBondContact O-N 3.47Å; S77-K80 WeakPolarHBondContact OG-CB 3.37Å; S77-K80 PolarHBondContact OG-N 2.86Å; S77-I81 WeakPolarHBondContact O-CG1 3.41Å; S77-I81 PolarHBondContact O-N 3.24Å; S77-Y153 PolarHBondContact OG-OH 2.99Å
78	A	82.1	Confident	70.3	Confident	47 Å²	47	81.3 Å²	81.3	39%	0.388	45%	0.449	S	S	.	.	H	α-helix	trans	-52.4	-39	177.5	0	0	0	0	0	112.5	K80 I81 R82 V390	A78-K80 PolarHBondContact O-N 2.76Å; A78-I81 PolarHBondContact O-N 2.87Å; A78-R82 PolarHBondContact O-N 3.16Å; A78-V390 HydrophobicContact CB-CG1 4.17Å; A78-V390 HydrophobicContact CB-CG2 4.39Å
79	R	85.1	Confident	73.2	Confident	108 Å²	108	73.5 Å²	73.5	41%	0.408	41%	0.408	S	S	.	.	H	α-helix	trans	-65.2	-37.4	175.4	-63.4	-175.9	-176.1	170.3	-1.1	112.7	S77 F83 L157	S77-R79 PolarHBondContact O-N 3.46Å; S77-R79 VanDerWaalsContact O-N 3.13Å; R79-F83 WeakPolarHBondContact O-CB 3.42Å; R79-F83 PolarHBondContact O-N 3.22Å; R79-L157 HydrophobicContact CB-CD2 4Å; R79-L157 HydrophobicContact CG-CD2 4.4Å
80	K	87.4	Confident	76.1	Confident	36 Å²	36	66.9 Å²	66.9	16%	0.157	38%	0.379	C	S	.	.	H	α-helix	trans	-71.2	-38	176	-174	61.1	175.8	179.7	0	111.6	L76 S77 A78 F83 I84 Y153	L76-K80 HydrophobicContact CD2-CG 4.1Å; S77-K80 WeakPolarHBondContact O-CA 3.38Å; S77-K80 WeakPolarHBondContact O-CB 3.37Å; S77-K80 PolarHBondContact O-N 3.47Å; S77-K80 WeakPolarHBondContact OG-CB 3.37Å; S77-K80 PolarHBondContact OG-N 2.86Å; A78-K80 PolarHBondContact O-N 2.76Å; K80-F83 HydrophobicContact CD-CD1 4.35Å; K80-F83 PolarHBondContact O-N 3.44Å; K80-I84 HydrophobicContact CD-CD1 4.31Å; K80-I84 HydrophobicContact CD-CG1 4.45Å; K80-I84 HydrophobicContact CG-CD1 4Å; K80-I84 VanDerWaalsContact O-CG1 3.28Å; K80-I84 WeakPolarHBondContact O-CG1 3.31Å; K80-I84 PolarHBondContact O-N 2.92Å; K80-Y153 HydrophobicContact CB-CE2 3.94Å; K80-Y153 HydrophobicContact CD-CD1 3.94Å; K80-Y153 HydrophobicContact CD-CD2 3.59Å; K80-Y153 HydrophobicContact CD-CE1 3.97Å; K80-Y153 HydrophobicContact CD-CE2 3.63Å; K80-Y153 HydrophobicContact CD-CG 3.74Å; K80-Y153 HydrophobicContact CG-CE2 4.4Å
81	I	87	Confident	78.9	Confident	88 Å²	88	59.7 Å²	59.7	45%	0.451	35%	0.345	S	S	.	.	H	α-helix	trans	-59.8	-51.4	173.5	-65.4	169.8	0	0	0	109.7	L76 S77 A78 F83 I84 Q85	L76-I81 HydrophobicContact CB-CD1 4.38Å; L76-I81 HydrophobicContact CB-CG1 3.81Å; S77-I81 WeakPolarHBondContact O-CG1 3.41Å; S77-I81 PolarHBondContact O-N 3.24Å; A78-I81 PolarHBondContact O-N 2.87Å; I81-F83 VanDerWaalsContact C-N 3.33Å; I81-F83 PolarHBondContact O-N 3Å; I81-I84 PolarHBondContact O-N 3.18Å; I81-I84 VanDerWaalsContact O-N 3.12Å; I81-Q85 WeakPolarHBondContact O-CB 3.41Å; I81-Q85 PolarHBondContact O-N 2.85Å
82	R	88.6	Confident	81.6	Confident	38 Å²	38	59 Å²	59	14%	0.143	33%	0.334	C	S	.	.	H	α-helix	trans	-58.1	-44.1	176.4	-171.3	172.2	-174.4	79	-6.2	112.1	A78 I84 Q85 F86 S105 L108 E109	A78-R82 PolarHBondContact O-N 3.16Å; R82-I84 PolarHBondContact O-N 3.09Å; R82-Q85 WeakPolarHBondContact O-CB 3.44Å; R82-Q85 PolarHBondContact O-N 3.13Å; R82-F86 HydrophobicContact CG-CD2 4.15Å; R82-F86 HydrophobicContact CG-CE2 4.19Å; R82-F86 WeakPolarHBondContact O-CD2 3.19Å; R82-F86 PolarHBondContact O-N 3.01Å; R82-F86 VanDerWaalsContact O-N 3.13Å; R82-S105 PolarHBondContact NE-O 3.38Å; R82-S105 PolarHBondContact NH2-O 3.44Å; R82-L108 PolarHBondContact NH2-O 3.33Å; R82-E109 PolarHBondContact NH1-O 3.11Å
83	F	91.4	Very high	83.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-57.1	-48.5	174.1	175.2	-93	0	0	0	112.2	R79 K80 I81 Q85 F86 A87 P95 M97 Y153 Y156	R79-F83 WeakPolarHBondContact O-CB 3.42Å; R79-F83 PolarHBondContact O-N 3.22Å; K80-F83 HydrophobicContact CD-CD1 4.35Å; K80-F83 PolarHBondContact O-N 3.44Å; I81-F83 VanDerWaalsContact C-N 3.33Å; I81-F83 PolarHBondContact O-N 3Å; F83-Q85 VanDerWaalsContact C-N 3.31Å; F83-Q85 PolarHBondContact O-N 3.31Å; F83-F86 PolarHBondContact O-N 3.48Å; F83-A87 HydrophobicContact CE1-CB 4.32Å; F83-A87 WeakPolarHBondContact O-CB 3.48Å; F83-A87 PolarHBondContact O-N 3.25Å; F83-P95 HydrophobicContact CE1-CB 4.37Å; F83-P95 HydrophobicContact CE1-CG 4.23Å; F83-P95 VanDerWaalsContact CE1-O 3.29Å; F83-P95 WeakPolarHBondContact CE1-O 3.43Å; F83-P95 WeakPolarHBondContact CZ-O 3.46Å; F83-M97 HydrophobicContact CB-CE 4.43Å; F83-M97 HydrophobicContact CD2-CE 3.88Å; F83-M97 HydrophobicContact CD2-CG 3.91Å; F83-M97 HydrophobicContact CD2-SD 3.34Å; F83-M97 WeakPolarHBondContact CD2-SD 3.43Å; F83-M97 HydrophobicContact CE2-CB 4.18Å; F83-M97 HydrophobicContact CE2-CG 3.63Å; F83-M97 HydrophobicContact CE2-SD 3.55Å; F83-M97 VanDerWaalsContact CE2-SD 3.55Å; F83-M97 HydrophobicContact CG-CE 4.4Å; F83-M97 HydrophobicContact CG-SD 4.36Å; F83-M97 HydrophobicContact CZ-CG 4.31Å; F83-Y153 HydrophobicContact CB-CD2 3.68Å; F83-Y153 HydrophobicContact CB-CE2 4.02Å; F83-Y153 AromaticContact CD1-CD2 3.91Å; F83-Y153 HydrophobicContact CD1-CD2 3.91Å; F83-Y153 HydrophobicContact CD1-CG 4.41Å; F83-Y153 AromaticContact CD2-CD2 3.94Å; F83-Y153 HydrophobicContact CD2-CD2 3.94Å; F83-Y153 AromaticContact CG-CD2 3.56Å; F83-Y153 HydrophobicContact CG-CD2 3.56Å; F83-Y153 HydrophobicContact CG-CE2 4.39Å; F83-Y153 HydrophobicContact CG-CG 4.4Å; F83-Y156 HydrophobicContact CB-CD1 4.03Å; F83-Y156 HydrophobicContact CB-CE1 4.02Å; F83-Y156 AromaticContact CD2-CD1 3.84Å; F83-Y156 HydrophobicContact CD2-CD1 3.84Å; F83-Y156 HydrophobicContact CD2-CD2 4.3Å; F83-Y156 AromaticContact CD2-CG 3.69Å; F83-Y156 HydrophobicContact CD2-CG 3.69Å; F83-Y156 HydrophobicContact CE2-CG 4.41Å; F83-Y156 HydrophobicContact CG-CD1 4.36Å
84	I	90.4	Very high	85.8	Confident	56 Å²	56	65.4 Å²	65.4	29%	0.287	34%	0.338	S	S	.	.	H	α-helix	trans	-65.8	-36.3	-178.4	-70.3	166.8	0	0	0	111.6	L76 K80 I81 R82 K117	L76-I84 HydrophobicContact CD1-CD1 3.85Å; K80-I84 HydrophobicContact CD-CD1 4.31Å; K80-I84 HydrophobicContact CD-CG1 4.45Å; K80-I84 HydrophobicContact CG-CD1 4Å; K80-I84 VanDerWaalsContact O-CG1 3.28Å; K80-I84 WeakPolarHBondContact O-CG1 3.31Å; K80-I84 PolarHBondContact O-N 2.92Å; I81-I84 PolarHBondContact O-N 3.18Å; I81-I84 VanDerWaalsContact O-N 3.12Å; R82-I84 PolarHBondContact O-N 3.09Å; I84-K117 PolarHBondContact O-NZ 2.66Å
85	Q	89.8	Confident	87.8	Confident	60 Å²	60	61.8 Å²	61.8	28%	0.28	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-43.3	177.8	179.7	-179.1	7.4	0	0	111.6	I81 R82 F83 R113	I81-Q85 WeakPolarHBondContact O-CB 3.41Å; I81-Q85 PolarHBondContact O-N 2.85Å; R82-Q85 WeakPolarHBondContact O-CB 3.44Å; R82-Q85 PolarHBondContact O-N 3.13Å; F83-Q85 VanDerWaalsContact C-N 3.31Å; F83-Q85 PolarHBondContact O-N 3.31Å; Q85-R113 WeakPolarHBondContact O-CD 3.27Å
86	F	92.5	Very high	89.4	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-93.3	-12.1	-178.2	-76.2	-104.6	0	0	0	113.9	R82 F83 S88 M97 D101 F104 S105 L108 V111 R113	R82-F86 HydrophobicContact CG-CD2 4.15Å; R82-F86 HydrophobicContact CG-CE2 4.19Å; R82-F86 WeakPolarHBondContact O-CD2 3.19Å; R82-F86 PolarHBondContact O-N 3.01Å; R82-F86 VanDerWaalsContact O-N 3.13Å; F83-F86 PolarHBondContact O-N 3.48Å; F86-S88 PolarHBondContact O-N 2.98Å; F86-M97 HydrophobicContact CB-CE 3.34Å; F86-M97 HydrophobicContact CG-CE 4.44Å; F86-D101 VanDerWaalsContact O-CB 3.26Å; F86-D101 WeakPolarHBondContact O-CB 3.28Å; F86-F104 HydrophobicContact CD1-CB 4.11Å; F86-F104 HydrophobicContact CE1-CB 4.07Å; F86-F104 WeakPolarHBondContact CE1-O 3.41Å; F86-S105 VanDerWaalsContact CD1-N 3.3Å; F86-L108 HydrophobicContact CE1-CB 4.21Å; F86-L108 HydrophobicContact CZ-CB 4.27Å; F86-L108 VanDerWaalsContact CZ-O 3.29Å; F86-L108 WeakPolarHBondContact CZ-O 3.32Å; F86-V111 HydrophobicContact CD1-CG2 3.36Å; F86-V111 HydrophobicContact CD2-CG2 4.42Å; F86-V111 HydrophobicContact CE1-CB 4.37Å; F86-V111 HydrophobicContact CE1-CG2 2.96Å; F86-V111 HydrophobicContact CE2-CG2 4.12Å; F86-V111 HydrophobicContact CG-CG2 4.09Å; F86-V111 HydrophobicContact CZ-CG2 3.41Å; F86-V111 VanDerWaalsContact CZ-CG2 3.41Å; F86-R113 PolarHBondContact O-NH1 3.38Å; F86-R113 PolarHBondContact O-NH2 3.33Å
87	A	94	Very high	90.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.			trans	-67	115	176.6	0	0	0	0	0	112.1	F83 P95 Y96 M97 R113 K117	F83-A87 HydrophobicContact CE1-CB 4.32Å; F83-A87 WeakPolarHBondContact O-CB 3.48Å; F83-A87 PolarHBondContact O-N 3.25Å; A87-P95 HydrophobicContact CB-CB 4.03Å; A87-Y96 CarbonylContact C-O 3.55Å; A87-Y96 WeakPolarHBondContact CA-O 3.28Å; A87-Y96 VanDerWaalsContact CB-O 3.24Å; A87-Y96 WeakPolarHBondContact CB-O 3.44Å; A87-M97 HydrophobicContact CB-CG 4.17Å; A87-R113 PolarHBondContact O-NH1 3.21Å; A87-K117 VanDerWaalsContact O-CE 3.23Å; A87-K117 WeakPolarHBondContact O-CE 3.36Å
88	S	94.1	Very high	91.1	Very high	26 Å²	26	46.1 Å²	46.1	18%	0.182	23%	0.233	C	C	.	.			trans	-94.2	-16.7	-176.2	65.8	0	0	0	0	114.7	F86 Y96 D101 R113 K117 R118	F86-S88 PolarHBondContact O-N 2.98Å; S88-Y96 PolarHBondContact N-O 3.4Å; S88-D101 WeakPolarHBondContact CB-OD1 3.44Å; S88-D101 WeakPolarHBondContact CB-OD2 3.43Å; S88-D101 PolarHBondContact N-OD2 3.23Å; S88-D101 VanDerWaalsContact OG-CG 3.3Å; S88-D101 PolarHBondContact OG-OD1 3.27Å; S88-D101 PolarHBondContact OG-OD2 2.89Å; S88-R113 VanDerWaalsContact CB-NH1 3.28Å; S88-K117 CarbonylContact O-C 3.6Å; S88-K117 VanDerWaalsContact O-CA 3.28Å; S88-K117 WeakPolarHBondContact O-CA 3.46Å; S88-R118 PolarHBondContact O-N 3.32Å
89	V	94.8	Very high	91.8	Very high	5 Å²	5	44 Å²	44	3%	0.03	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.9	-173.6	-71	0	0	0	0	111.4	Y96 T98 R118 L120	V89-Y96 VanDerWaalsContact CG2-O 3.28Å; V89-Y96 WeakPolarHBondContact CG2-O 3.33Å; V89-Y96 PolarHBondContact N-O 3.41Å; V89-Y96 PolarHBondContact O-N 3.37Å; V89-T98 HydrophobicContact CG1-CG2 4.23Å; V89-T98 HydrophobicContact CG2-CG2 4.3Å; V89-R118 CarbonylContact C-O 3.54Å; V89-R118 VanDerWaalsContact CA-O 3.31Å; V89-R118 WeakPolarHBondContact CA-O 3.21Å; V89-R118 HydrophobicContact CG1-CB 4.26Å; V89-L120 HydrophobicContact CB-CD1 3.72Å; V89-L120 HydrophobicContact CB-CG 4.02Å; V89-L120 HydrophobicContact CG1-CD1 4.01Å; V89-L120 HydrophobicContact CG1-CD2 4.09Å; V89-L120 HydrophobicContact CG1-CG 4.14Å; V89-L120 HydrophobicContact CG2-CD1 4.12Å
90	T	94.1	Very high	92.3	Very high	29 Å²	29	44.7 Å²	44.7	18%	0.178	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134	174.1	51.9	0	0	0	0	110	E94 K117 R118 I119 L120	T90-E94 VanDerWaalsContact CA-O 3.27Å; T90-E94 WeakPolarHBondContact CA-O 3.29Å; T90-K117 HydrophobicContact CG2-CB 4Å; T90-K117 HydrophobicContact CG2-CD 3.88Å; T90-R118 PolarHBondContact N-O 3.13Å; T90-R118 PolarHBondContact OG1-O 2.79Å; T90-I119 WeakPolarHBondContact O-CA 3.23Å; T90-L120 PolarHBondContact O-N 2.97Å
91	Y	93.4	Very high	92.7	Very high	23 Å²	23	43.3 Å²	43.3	9%	0.09	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	134	175.8	-178.7	-101.9	0	0	0	108.1	M93 E94 L120 T122 V125 V219	Y91-M93 PolarHBondContact O-N 3.13Å; Y91-E94 PolarHBondContact N-O 3.03Å; Y91-E94 PolarHBondContact O-N 2.65Å; Y91-L120 HydrophobicContact CD2-CB 4.06Å; Y91-L120 WeakPolarHBondContact CD2-O 3.33Å; Y91-T122 PolarHBondContact OH-OG1 3.33Å; Y91-T122 VanDerWaalsContact OH-OG1 3.13Å; Y91-V125 HydrophobicContact CD1-CG2 4.2Å; Y91-V125 HydrophobicContact CD2-CG2 3.47Å; Y91-V125 VanDerWaalsContact CD2-CG2 3.47Å; Y91-V125 HydrophobicContact CE1-CG2 4.37Å; Y91-V125 HydrophobicContact CE2-CG2 3.66Å; Y91-V125 HydrophobicContact CG-CG2 3.77Å; Y91-V219 HydrophobicContact CD1-CB 4.34Å; Y91-V219 HydrophobicContact CD1-CG1 3.76Å; Y91-V219 HydrophobicContact CD1-CG2 3.74Å; Y91-V219 HydrophobicContact CE1-CB 4.25Å; Y91-V219 HydrophobicContact CE1-CG1 3.67Å; Y91-V219 HydrophobicContact CE1-CG2 3.51Å
92	D	89.8	Confident	93.1	Very high	108 Å²	108	39.1 Å²	39.1	58%	0.578	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	43.4	-173.5	-64.3	-19	0	0	0	113.6	E94	D92-E94 PolarHBondContact O-N 3.31Å
93	M	87.4	Confident	93.3	Very high	189 Å²	189	37.7 Å²	37.7	93%	0.931	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	6.1	-176.5	-58.6	176.9	47.3	0	0	115.7	Y91	Y91-M93 PolarHBondContact O-N 3.13Å
94	E	90.2	Very high	93.3	Very high	108 Å²	108	40.5 Å²	40.5	51%	0.505	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.6	174.7	-66.5	-164.5	149.1	0	0	111.4	T90 Y91 D92 Y96	T90-E94 VanDerWaalsContact CA-O 3.27Å; T90-E94 WeakPolarHBondContact CA-O 3.29Å; Y91-E94 PolarHBondContact N-O 3.03Å; Y91-E94 PolarHBondContact O-N 2.65Å; D92-E94 PolarHBondContact O-N 3.31Å; E94-Y96 HydrophobicContact CB-CD2 4.49Å; E94-Y96 HydrophobicContact CB-CE2 3.72Å; E94-Y96 WeakPolarHBondContact O-CD2 3.44Å; E94-Y96 WeakPolarHBondContact O-CE2 3.5Å; E94-Y96 PolarHBondContact OE2-OH 3.07Å; E94-Y96 VanDerWaalsContact OE2-OH 3.11Å
95	P	92.8	Very high	93.4	Very high	34 Å²	34	37.8 Å²	37.8	22%	0.221	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	135.9	174.9	29.5	-32.1	0	0	0	111.7	F83 A87	F83-P95 HydrophobicContact CE1-CB 4.37Å; F83-P95 HydrophobicContact CE1-CG 4.23Å; F83-P95 VanDerWaalsContact CE1-O 3.29Å; F83-P95 WeakPolarHBondContact CE1-O 3.43Å; F83-P95 WeakPolarHBondContact CZ-O 3.46Å; A87-P95 HydrophobicContact CB-CB 4.03Å
96	Y	95.3	Very high	93.3	Very high	11 Å²	11	35 Å²	35	4%	0.043	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	157.9	174.5	-65.7	-95.3	0	0	0	111	A87 S88 V89 E94 L150	A87-Y96 CarbonylContact C-O 3.55Å; A87-Y96 WeakPolarHBondContact CA-O 3.28Å; A87-Y96 VanDerWaalsContact CB-O 3.24Å; A87-Y96 WeakPolarHBondContact CB-O 3.44Å; S88-Y96 PolarHBondContact N-O 3.4Å; V89-Y96 VanDerWaalsContact CG2-O 3.28Å; V89-Y96 WeakPolarHBondContact CG2-O 3.33Å; V89-Y96 PolarHBondContact N-O 3.41Å; V89-Y96 PolarHBondContact O-N 3.37Å; E94-Y96 HydrophobicContact CB-CD2 4.49Å; E94-Y96 HydrophobicContact CB-CE2 3.72Å; E94-Y96 WeakPolarHBondContact O-CD2 3.44Å; E94-Y96 WeakPolarHBondContact O-CE2 3.5Å; E94-Y96 PolarHBondContact OE2-OH 3.07Å; E94-Y96 VanDerWaalsContact OE2-OH 3.11Å; Y96-L150 HydrophobicContact CD1-CD2 3.45Å; Y96-L150 VanDerWaalsContact CD1-CD2 3.45Å; Y96-L150 HydrophobicContact CD1-CG 3.82Å; Y96-L150 HydrophobicContact CD2-CD2 4.09Å; Y96-L150 HydrophobicContact CE1-CD2 3.66Å; Y96-L150 HydrophobicContact CE1-CG 4.5Å; Y96-L150 HydrophobicContact CE2-CD2 4.29Å; Y96-L150 HydrophobicContact CG-CD2 3.69Å; Y96-L150 HydrophobicContact CG-CG 3.86Å
97	M	96.2	Very high	93	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-101.9	143.7	171.4	-80.6	173.7	154.4	0	0	110.2	F83 F86 A87 D101 I151 Y156	F83-M97 HydrophobicContact CB-CE 4.43Å; F83-M97 HydrophobicContact CD2-CE 3.88Å; F83-M97 HydrophobicContact CD2-CG 3.91Å; F83-M97 HydrophobicContact CD2-SD 3.34Å; F83-M97 WeakPolarHBondContact CD2-SD 3.43Å; F83-M97 HydrophobicContact CE2-CB 4.18Å; F83-M97 HydrophobicContact CE2-CG 3.63Å; F83-M97 HydrophobicContact CE2-SD 3.55Å; F83-M97 VanDerWaalsContact CE2-SD 3.55Å; F83-M97 HydrophobicContact CG-CE 4.4Å; F83-M97 HydrophobicContact CG-SD 4.36Å; F83-M97 HydrophobicContact CZ-CG 4.31Å; F86-M97 HydrophobicContact CB-CE 3.34Å; F86-M97 HydrophobicContact CG-CE 4.44Å; A87-M97 HydrophobicContact CB-CG 4.17Å; M97-D101 HydrophobicContact CB-CB 3.84Å; M97-D101 HydrophobicContact CG-CB 3.88Å; M97-I151 HydrophobicContact CB-CB 4.08Å; M97-I151 PolarHBondContact N-O 2.57Å; M97-I151 WeakPolarHBondContact O-CB 3.2Å; M97-I151 PolarHBondContact O-N 3.44Å; M97-Y156 HydrophobicContact CE-CD2 4.19Å; M97-Y156 HydrophobicContact CE-CE2 4.04Å; M97-Y156 HydrophobicContact SD-CD2 3.61Å; M97-Y156 HydrophobicContact SD-CE2 4.06Å; M97-Y156 HydrophobicContact SD-CG 4.14Å
98	T	96.8	Very high	92.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	19%	0.187	C	C	.	.			trans	-78.2	163	159.9	67.6	0	0	0	0	110.7	V89 R100 D101 F102 D147 G149	V89-T98 HydrophobicContact CG1-CG2 4.23Å; V89-T98 HydrophobicContact CG2-CG2 4.3Å; T98-R100 PolarHBondContact O-N 2.92Å; T98-D101 PolarHBondContact N-OD2 2.73Å; T98-D101 WeakPolarHBondContact O-CB 3.28Å; T98-D101 PolarHBondContact O-N 2.82Å; T98-D101 VanDerWaalsContact O-N 3.07Å; T98-D101 VanDerWaalsContact OG1-CG 3.23Å; T98-D101 PolarHBondContact OG1-N 2.92Å; T98-D101 PolarHBondContact OG1-OD2 3.38Å; T98-F102 PolarHBondContact O-N 2.84Å; T98-D147 HydrophobicContact CG2-CB 4.31Å; T98-D147 WeakPolarHBondContact CG2-O 3.44Å; T98-D147 PolarHBondContact OG1-OD1 2.91Å; T98-G149 WeakPolarHBondContact CA-O 3.23Å
99	P	97.1	Very high	91.7	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.013	20%	0.201	C	C	.	.	H	α-helix	trans	-52	-38.6	169.3	-30.7	37.4	0	0	0	113	F102 L103 F142 L145 G146 I151	P99-F102 WeakPolarHBondContact O-CB 3.41Å; P99-F102 PolarHBondContact O-N 3.01Å; P99-L103 WeakPolarHBondContact O-CG 3.29Å; P99-L103 PolarHBondContact O-N 2.85Å; P99-F142 HydrophobicContact CB-CB 4.05Å; P99-F142 HydrophobicContact CB-CD1 3.69Å; P99-F142 HydrophobicContact CB-CG 4.18Å; P99-F142 WeakPolarHBondContact CB-O 3.23Å; P99-L145 HydrophobicContact CB-CB 4.12Å; P99-L145 HydrophobicContact CG-CB 3.76Å; P99-L145 HydrophobicContact CG-CD1 4.17Å; P99-G146 WeakPolarHBondContact CB-O 3.26Å; P99-G146 VanDerWaalsContact CD-O 3.28Å; P99-G146 WeakPolarHBondContact CD-O 3.22Å; P99-I151 HydrophobicContact CG-CD1 4.39Å
100	R	95.1	Very high	90.7	Very high	124 Å²	124	47.8 Å²	47.8	47%	0.468	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-44.8	173.1	-170.8	175.3	-137.8	-116.4	-1.9	113.2	T98 F102 L103 F104 G146 D147	T98-R100 PolarHBondContact O-N 2.92Å; R100-F102 VanDerWaalsContact C-N 3.26Å; R100-F102 PolarHBondContact O-N 3.2Å; R100-L103 PolarHBondContact O-N 2.77Å; R100-F104 HydrophobicContact CG-CD2 4.19Å; R100-F104 HydrophobicContact CG-CE2 3.8Å; R100-F104 HydrophobicContact CG-CZ 4.08Å; R100-F104 WeakPolarHBondContact O-CG 3.2Å; R100-F104 PolarHBondContact O-N 3.09Å; R100-G146 PolarHBondContact N-O 3.44Å; R100-D147 WeakPolarHBondContact CB-OD1 3.24Å; R100-D147 WeakPolarHBondContact CD-OD1 3.5Å
101	D	95.3	Very high	89.9	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.032	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-42.7	174.5	-68.2	-26.5	0	0	0	111.3	F86 S88 M97 T98 F104 S105 R113	F86-D101 VanDerWaalsContact O-CB 3.26Å; F86-D101 WeakPolarHBondContact O-CB 3.28Å; S88-D101 WeakPolarHBondContact CB-OD1 3.44Å; S88-D101 WeakPolarHBondContact CB-OD2 3.43Å; S88-D101 PolarHBondContact N-OD2 3.23Å; S88-D101 VanDerWaalsContact OG-CG 3.3Å; S88-D101 PolarHBondContact OG-OD1 3.27Å; S88-D101 PolarHBondContact OG-OD2 2.89Å; M97-D101 HydrophobicContact CB-CB 3.84Å; M97-D101 HydrophobicContact CG-CB 3.88Å; T98-D101 PolarHBondContact N-OD2 2.73Å; T98-D101 WeakPolarHBondContact O-CB 3.28Å; T98-D101 PolarHBondContact O-N 2.82Å; T98-D101 VanDerWaalsContact O-N 3.07Å; T98-D101 VanDerWaalsContact OG1-CG 3.23Å; T98-D101 PolarHBondContact OG1-N 2.92Å; T98-D101 PolarHBondContact OG1-OD2 3.38Å; D101-F104 PolarHBondContact O-N 3.3Å; D101-S105 VanDerWaalsContact O-CB 3.3Å; D101-S105 WeakPolarHBondContact O-CB 3.27Å; D101-S105 PolarHBondContact O-N 3.22Å; D101-S105 PolarHBondContact O-OG 2.95Å; D101-R113 IonicContact OD1-CZ 3.91Å; D101-R113 IonicContact OD1-NH2 3.73Å; D101-R113 PolarHBondContact OD1-NH2 3.26Å
102	F	95.4	Very high	88.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-51.9	177.2	169	-101.7	0	0	0	111.3	T98 P99 R100 F104 S105 V106 F142 I151 Y156 L159 L160 M163 L248 I252	T98-F102 PolarHBondContact O-N 2.84Å; P99-F102 WeakPolarHBondContact O-CB 3.41Å; P99-F102 PolarHBondContact O-N 3.01Å; R100-F102 VanDerWaalsContact C-N 3.26Å; R100-F102 PolarHBondContact O-N 3.2Å; F102-F104 VanDerWaalsContact C-N 3.31Å; F102-F104 PolarHBondContact O-N 3.43Å; F102-S105 PolarHBondContact O-N 3.46Å; F102-S105 VanDerWaalsContact O-N 3.07Å; F102-S105 PolarHBondContact O-OG 2.82Å; F102-V106 HydrophobicContact CD2-CG2 4.46Å; F102-V106 HydrophobicContact CE1-CG2 4.42Å; F102-V106 HydrophobicContact CE2-CG2 3.95Å; F102-V106 HydrophobicContact CZ-CG2 3.92Å; F102-V106 PolarHBondContact O-N 3.38Å; F102-V106 VanDerWaalsContact O-N 3.14Å; F102-F142 AromaticContact CD1-CD1 3.57Å; F102-F142 HydrophobicContact CD1-CD1 3.57Å; F102-F142 AromaticContact CD1-CE1 3.5Å; F102-F142 HydrophobicContact CD1-CE1 3.5Å; F102-F142 VanDerWaalsContact CD1-CE1 3.5Å; F102-F142 HydrophobicContact CD1-CZ 4.44Å; F102-F142 HydrophobicContact CE1-CD1 4.24Å; F102-F142 AromaticContact CE1-CE1 3.99Å; F102-F142 HydrophobicContact CE1-CE1 3.99Å; F102-F142 HydrophobicContact CG-CD1 4.4Å; F102-F142 HydrophobicContact CG-CE1 4.16Å; F102-I151 HydrophobicContact CB-CD1 3.73Å; F102-I151 HydrophobicContact CG-CD1 4.29Å; F102-Y156 AromaticContact CD2-CD2 3.89Å; F102-Y156 HydrophobicContact CD2-CD2 3.89Å; F102-Y156 HydrophobicContact CD2-CE2 4.27Å; F102-Y156 HydrophobicContact CE2-CD2 4.28Å; F102-L159 HydrophobicContact CD1-CD1 4.4Å; F102-L159 HydrophobicContact CD2-CB 4.37Å; F102-L159 HydrophobicContact CD2-CD1 4.02Å; F102-L159 HydrophobicContact CE1-CB 4.44Å; F102-L159 HydrophobicContact CE1-CD1 4.35Å; F102-L159 HydrophobicContact CE2-CB 3.52Å; F102-L159 HydrophobicContact CE2-CD1 3.96Å; F102-L159 HydrophobicContact CE2-CG 4.4Å; F102-L159 HydrophobicContact CG-CD1 4.23Å; F102-L159 HydrophobicContact CZ-CB 3.57Å; F102-L159 HydrophobicContact CZ-CD1 4.14Å; F102-L159 HydrophobicContact CZ-CG 4.41Å; F102-L160 HydrophobicContact CE2-CD2 4.35Å; F102-M163 HydrophobicContact CE2-SD 4.42Å; F102-M163 HydrophobicContact CZ-SD 3.82Å; F102-L248 HydrophobicContact CE1-CD1 3.98Å; F102-I252 HydrophobicContact CE1-CD1 4.19Å; F102-I252 HydrophobicContact CZ-CD1 4.35Å
103	L	93.8	Very high	87.4	Confident	9 Å²	9	52.9 Å²	52.9	5%	0.047	25%	0.252	C	S	.	.	H	α-helix	trans	-56	-46.7	178	-68.2	176.8	0	0	0	111.2	P99 R100 S105 V106 M107 F142 R143 I252	P99-L103 WeakPolarHBondContact O-CG 3.29Å; P99-L103 PolarHBondContact O-N 2.85Å; R100-L103 PolarHBondContact O-N 2.77Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 3.38Å; L103-V106 PolarHBondContact O-N 2.83Å; L103-M107 HydrophobicContact CB-CE 4.31Å; L103-M107 WeakPolarHBondContact O-CG 3.12Å; L103-M107 PolarHBondContact O-N 3.48Å; L103-M107 VanDerWaalsContact O-N 3.1Å; L103-F142 HydrophobicContact CD1-CB 3.86Å; L103-F142 HydrophobicContact CD2-CB 4.09Å; L103-F142 HydrophobicContact CG-CB 4Å; L103-R143 HydrophobicContact CD1-CG 3.97Å; L103-I252 HydrophobicContact CD2-CG1 4.17Å
104	F	91.8	Very high	86.2	Confident	58 Å²	58	53.1 Å²	53.1	25%	0.254	25%	0.248	S	C	.	.	H	α-helix	trans	-65.2	-36.6	177.1	-69	-15.2	0	0	0	112.8	F86 R100 D101 F102 V106 M107 L108	F86-F104 HydrophobicContact CD1-CB 4.11Å; F86-F104 HydrophobicContact CE1-CB 4.07Å; F86-F104 WeakPolarHBondContact CE1-O 3.41Å; R100-F104 HydrophobicContact CG-CD2 4.19Å; R100-F104 HydrophobicContact CG-CE2 3.8Å; R100-F104 HydrophobicContact CG-CZ 4.08Å; R100-F104 WeakPolarHBondContact O-CG 3.2Å; R100-F104 PolarHBondContact O-N 3.09Å; D101-F104 PolarHBondContact O-N 3.3Å; F102-F104 VanDerWaalsContact C-N 3.31Å; F102-F104 PolarHBondContact O-N 3.43Å; F104-V106 PolarHBondContact O-N 2.85Å; F104-M107 HydrophobicContact CD1-CE 3.5Å; F104-M107 VanDerWaalsContact CD1-CE 3.5Å; F104-M107 HydrophobicContact CE1-CE 3.96Å; F104-M107 PolarHBondContact O-N 3.48Å; F104-L108 HydrophobicContact CB-CD1 4.08Å; F104-L108 HydrophobicContact CB-CG 4.49Å; F104-L108 HydrophobicContact CD1-CD1 4.36Å; F104-L108 HydrophobicContact CG-CD1 4.16Å; F104-L108 WeakPolarHBondContact O-CB 3.48Å; F104-L108 PolarHBondContact O-N 3.41Å
105	S	90.9	Very high	85.2	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.1	-18.8	176.4	78.2	0	0	0	0	113.8	R82 F86 D101 F102 L103 Y156	R82-S105 PolarHBondContact NE-O 3.38Å; R82-S105 PolarHBondContact NH2-O 3.44Å; F86-S105 VanDerWaalsContact CD1-N 3.3Å; D101-S105 VanDerWaalsContact O-CB 3.3Å; D101-S105 WeakPolarHBondContact O-CB 3.27Å; D101-S105 PolarHBondContact O-N 3.22Å; D101-S105 PolarHBondContact O-OG 2.95Å; F102-S105 PolarHBondContact O-N 3.46Å; F102-S105 VanDerWaalsContact O-N 3.07Å; F102-S105 PolarHBondContact O-OG 2.82Å; L103-S105 VanDerWaalsContact C-N 3.34Å; L103-S105 PolarHBondContact O-N 3.38Å; S105-Y156 WeakPolarHBondContact OG-CE2 3.31Å
106	V	88.8	Confident	84.5	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-87.7	-41.4	173.9	170.1	0	0	0	0	110.8	F102 L103 F104 L160 M163 I252 Y279	F102-V106 HydrophobicContact CD2-CG2 4.46Å; F102-V106 HydrophobicContact CE1-CG2 4.42Å; F102-V106 HydrophobicContact CE2-CG2 3.95Å; F102-V106 HydrophobicContact CZ-CG2 3.92Å; F102-V106 PolarHBondContact O-N 3.38Å; F102-V106 VanDerWaalsContact O-N 3.14Å; L103-V106 PolarHBondContact O-N 2.83Å; F104-V106 PolarHBondContact O-N 2.85Å; V106-L160 HydrophobicContact CG2-CD2 4.04Å; V106-M163 HydrophobicContact CB-CE 4.17Å; V106-M163 HydrophobicContact CB-SD 4.48Å; V106-M163 HydrophobicContact CG1-CE 3.32Å; V106-M163 HydrophobicContact CG1-SD 4.1Å; V106-M163 HydrophobicContact CG2-CE 3.74Å; V106-M163 HydrophobicContact CG2-SD 3.54Å; V106-M163 VanDerWaalsContact CG2-SD 3.54Å; V106-I252 HydrophobicContact CG1-CD1 4.49Å; V106-I252 HydrophobicContact CG1-CG2 3.87Å; V106-Y279 PolarHBondContact O-OH 3.09Å; V106-Y279 VanDerWaalsContact O-OH 3.13Å
107	M	85.1	Confident	84.1	Confident	7 Å²	7	66 Å²	66	3%	0.034	31%	0.309	C	S	.	.	H	α-helix	trans	-87.7	-35.8	-171.6	-63.5	-177.3	-57.4	0	0	114.7	L103 F104 M255	L103-M107 HydrophobicContact CB-CE 4.31Å; L103-M107 WeakPolarHBondContact O-CG 3.12Å; L103-M107 PolarHBondContact O-N 3.48Å; L103-M107 VanDerWaalsContact O-N 3.1Å; F104-M107 HydrophobicContact CD1-CE 3.5Å; F104-M107 VanDerWaalsContact CD1-CE 3.5Å; F104-M107 HydrophobicContact CE1-CE 3.96Å; F104-M107 PolarHBondContact O-N 3.48Å; M107-M255 HydrophobicContact CE-CE 3.82Å; M107-M255 HydrophobicContact SD-CB 3.62Å; M107-M255 HydrophobicContact SD-CE 3.79Å; M107-M255 HydrophobicContact SD-CG 4.45Å
108	L	84.1	Confident	83.9	Confident	57 Å²	57	72.5 Å²	72.5	30%	0.298	33%	0.333	S	S	.	.			trans	-104.3	140.8	-170.7	-54.2	-179.7	0	0	0	110.7	R82 F86 F104	R82-L108 PolarHBondContact NH2-O 3.33Å; F86-L108 HydrophobicContact CE1-CB 4.21Å; F86-L108 HydrophobicContact CZ-CB 4.27Å; F86-L108 VanDerWaalsContact CZ-O 3.29Å; F86-L108 WeakPolarHBondContact CZ-O 3.32Å; F104-L108 HydrophobicContact CB-CD1 4.08Å; F104-L108 HydrophobicContact CB-CG 4.49Å; F104-L108 HydrophobicContact CD1-CD1 4.36Å; F104-L108 HydrophobicContact CG-CD1 4.16Å; F104-L108 WeakPolarHBondContact O-CB 3.48Å; F104-L108 PolarHBondContact O-N 3.41Å
109	E	77.1	Confident	83.7	Confident	100 Å²	100	78.8 Å²	78.8	47%	0.467	37%	0.365	S	S	.	.	S	Bend	trans	-71.7	-43.4	174.9	-62.7	-166.7	149.5	0	0	112.3	R82	R82-E109 PolarHBondContact NH1-O 3.11Å
110	Q	74.3	Confident	83.6	Confident	134 Å²	134	79.2 Å²	79.2	63%	0.626	37%	0.367	S	S	*	.			trans	-130.6	157.1	-175.8	-60.5	-68	-21.9	0	0	110.5
111	V	77.3	Confident	83.6	Confident	36 Å²	36	76.9 Å²	76.9	22%	0.218	37%	0.367	C	S	.	.			trans	-129.9	125.3	168.8	-174.3	0	0	0	0	109.2	F86 R113	F86-V111 HydrophobicContact CD1-CG2 3.36Å; F86-V111 HydrophobicContact CD2-CG2 4.42Å; F86-V111 HydrophobicContact CE1-CB 4.37Å; F86-V111 HydrophobicContact CE1-CG2 2.96Å; F86-V111 HydrophobicContact CE2-CG2 4.12Å; F86-V111 HydrophobicContact CG-CG2 4.09Å; F86-V111 HydrophobicContact CZ-CG2 3.41Å; F86-V111 VanDerWaalsContact CZ-CG2 3.41Å; V111-R113 VanDerWaalsContact C-N 3.28Å; V111-R113 HydrophobicContact CB-CG 4.1Å; V111-R113 HydrophobicContact CG1-CG 3.49Å; V111-R113 VanDerWaalsContact CG1-CG 3.49Å; V111-R113 PolarHBondContact O-N 2.85Å
112	D	64.8	Low	83.5	Confident	150 Å²	150	80.3 Å²	80.3	80%	0.802	39%	0.388	S	S	*	.			trans	-75.2	83.3	168.4	-90	-14.5	0	0	0	110.2	K114	D112-K114 PolarHBondContact O-N 2.94Å
113	R	65.6	Low	83.4	Confident	81 Å²	81	86.7 Å²	86.7	31%	0.306	42%	0.418	S	S	.	.			trans	-86	92.7	173	-66.9	-162.9	167.2	-163.5	-10.9	110.6	Q85 F86 A87 S88 D101 V111 L115	Q85-R113 WeakPolarHBondContact O-CD 3.27Å; F86-R113 PolarHBondContact O-NH1 3.38Å; F86-R113 PolarHBondContact O-NH2 3.33Å; A87-R113 PolarHBondContact O-NH1 3.21Å; S88-R113 VanDerWaalsContact CB-NH1 3.28Å; D101-R113 IonicContact OD1-CZ 3.91Å; D101-R113 IonicContact OD1-NH2 3.73Å; D101-R113 PolarHBondContact OD1-NH2 3.26Å; V111-R113 VanDerWaalsContact C-N 3.28Å; V111-R113 HydrophobicContact CB-CG 4.1Å; V111-R113 HydrophobicContact CG1-CG 3.49Å; V111-R113 VanDerWaalsContact CG1-CG 3.49Å; V111-R113 PolarHBondContact O-N 2.85Å; R113-L115 VanDerWaalsContact C-N 3.29Å
114	K	63	Low	83.4	Confident	194 Å²	194	87.9 Å²	87.9	84%	0.843	43%	0.425	S	S	*	.			trans	-78.2	-15.8	167.1	-61.8	-177.4	-178.4	178.2	0	112.7	D112	D112-K114 PolarHBondContact O-N 2.94Å
115	L	68.9	Low	83.6	Confident	157 Å²	157	85.3 Å²	85.3	82%	0.822	41%	0.414	S	S	*	.	S	Bend	trans	-97.6	140.8	-175.9	-66.2	170	0	0	0	111.6	R113	R113-L115 VanDerWaalsContact C-N 3.29Å
116	Q	77.7	Confident	83.7	Confident	190 Å²	190	89.8 Å²	89.8	89%	0.888	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-68	153.8	173.7	-68.4	-173.7	-15.3	0	0	111.5
117	K	86.6	Confident	84	Confident	78 Å²	78	96 Å²	96	34%	0.339	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-64.7	134.4	177.4	-62.3	-174.6	179.9	-167.6	0	110.2	I84 A87 S88 T90 I119	I84-K117 PolarHBondContact O-NZ 2.66Å; A87-K117 VanDerWaalsContact O-CE 3.23Å; A87-K117 WeakPolarHBondContact O-CE 3.36Å; S88-K117 CarbonylContact O-C 3.6Å; S88-K117 VanDerWaalsContact O-CA 3.28Å; S88-K117 WeakPolarHBondContact O-CA 3.46Å; T90-K117 HydrophobicContact CG2-CB 4Å; T90-K117 HydrophobicContact CG2-CD 3.88Å; K117-I119 PolarHBondContact O-N 3.04Å
118	R	91.8	Very high	84.5	Confident	136 Å²	136	96.1 Å²	96.1	51%	0.513	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	123.1	178.1	176.8	-179.7	174.3	-169.4	-4.5	109.7	S88 V89 T90 L120 D124	S88-R118 PolarHBondContact O-N 3.32Å; V89-R118 CarbonylContact C-O 3.54Å; V89-R118 VanDerWaalsContact CA-O 3.31Å; V89-R118 WeakPolarHBondContact CA-O 3.21Å; V89-R118 HydrophobicContact CG1-CB 4.26Å; T90-R118 PolarHBondContact N-O 3.13Å; T90-R118 PolarHBondContact OG1-O 2.79Å; R118-L120 HydrophobicContact CG-CD2 4.15Å; R118-D124 IonicContact NH2-OD1 3.78Å; R118-D124 PolarHBondContact NH2-OD1 3.39Å; R118-D124 IonicContact NH2-OD2 3.34Å
119	I	93.5	Very high	85	Confident	134 Å²	134	94 Å²	94	69%	0.687	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.7	171.4	-56	172.3	0	0	0	108.2	T90 K117	T90-I119 WeakPolarHBondContact O-CA 3.23Å; K117-I119 PolarHBondContact O-N 3.04Å
120	L	94.1	Very high	85.8	Confident	10 Å²	10	90.2 Å²	90.2	5%	0.052	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-94.3	145.7	-179	-62.7	178.1	0	0	0	111	V89 T90 Y91 R118 D124 V125 M128 L150	V89-L120 HydrophobicContact CB-CD1 3.72Å; V89-L120 HydrophobicContact CB-CG 4.02Å; V89-L120 HydrophobicContact CG1-CD1 4.01Å; V89-L120 HydrophobicContact CG1-CD2 4.09Å; V89-L120 HydrophobicContact CG1-CG 4.14Å; V89-L120 HydrophobicContact CG2-CD1 4.12Å; T90-L120 PolarHBondContact O-N 2.97Å; Y91-L120 HydrophobicContact CD2-CB 4.06Å; Y91-L120 WeakPolarHBondContact CD2-O 3.33Å; R118-L120 HydrophobicContact CG-CD2 4.15Å; L120-D124 HydrophobicContact CB-CB 4.35Å; L120-D124 HydrophobicContact CD2-CB 4.11Å; L120-V125 HydrophobicContact CB-CG2 4.28Å; L120-V125 HydrophobicContact CD1-CG2 4.41Å; L120-M128 HydrophobicContact CD1-CE 4.23Å; L120-M128 HydrophobicContact CD1-SD 4.1Å; L120-M128 HydrophobicContact CD2-CE 4.05Å; L120-L150 HydrophobicContact CD1-CD1 3.42Å; L120-L150 VanDerWaalsContact CD1-CD1 3.42Å
121	T	94.9	Very high	86.8	Confident	75 Å²	75	85.7 Å²	85.7	46%	0.46	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-91.8	163.3	168.6	64.7	0	0	0	0	110.7	E123 D124 V125	T121-E123 PolarHBondContact O-N 2.93Å; T121-D124 PolarHBondContact N-OD2 3.22Å; T121-D124 WeakPolarHBondContact O-CB 3.2Å; T121-D124 PolarHBondContact O-N 3.36Å; T121-D124 VanDerWaalsContact O-N 3.09Å; T121-D124 PolarHBondContact OG1-N 3.11Å; T121-D124 PolarHBondContact OG1-OD2 3.42Å; T121-V125 PolarHBondContact O-N 3.27Å; T121-V125 VanDerWaalsContact O-N 3.1Å
122	T	93.4	Very high	87.6	Confident	79 Å²	79	84 Å²	84	49%	0.485	42%	0.415	S	S	.	.	H	α-helix	trans	-59.9	-31.9	175.3	-48.2	0	0	0	0	112	Y91 V125 N126	Y91-T122 PolarHBondContact OH-OG1 3.33Å; Y91-T122 VanDerWaalsContact OH-OG1 3.13Å; T122-V125 PolarHBondContact O-N 3.04Å; T122-N126 WeakPolarHBondContact O-CB 3.34Å; T122-N126 VanDerWaalsContact O-CG 3.26Å; T122-N126 PolarHBondContact O-N 3.32Å; T122-N126 PolarHBondContact O-ND2 2.83Å; T122-N126 VanDerWaalsContact O-ND2 3.15Å
123	E	93.8	Very high	88.9	Confident	134 Å²	134	78.7 Å²	78.7	63%	0.626	39%	0.392	S	S	*	.	H	α-helix	trans	-66.3	-41.3	174	-66.9	-173.7	-171.4	0	0	112.7	T121 N126 K127	T121-E123 PolarHBondContact O-N 2.93Å; E123-N126 PolarHBondContact O-N 2.97Å; E123-K127 WeakPolarHBondContact O-CG 3.49Å; E123-K127 PolarHBondContact O-N 2.92Å
124	D	94.6	Very high	90.3	Very high	34 Å²	34	83 Å²	83	18%	0.182	41%	0.413	C	S	.	.	H	α-helix	trans	-61	-47.2	175.8	-66.3	-50.3	0	0	0	110.6	R118 L120 T121 N126 K127 M128	R118-D124 IonicContact NH2-OD1 3.78Å; R118-D124 PolarHBondContact NH2-OD1 3.39Å; R118-D124 IonicContact NH2-OD2 3.34Å; L120-D124 HydrophobicContact CB-CB 4.35Å; L120-D124 HydrophobicContact CD2-CB 4.11Å; T121-D124 PolarHBondContact N-OD2 3.22Å; T121-D124 WeakPolarHBondContact O-CB 3.2Å; T121-D124 PolarHBondContact O-N 3.36Å; T121-D124 VanDerWaalsContact O-N 3.09Å; T121-D124 PolarHBondContact OG1-N 3.11Å; T121-D124 PolarHBondContact OG1-OD2 3.42Å; D124-N126 PolarHBondContact O-N 3.32Å; D124-K127 WeakPolarHBondContact O-CB 3.34Å; D124-K127 PolarHBondContact O-N 2.77Å; D124-M128 WeakPolarHBondContact O-CG 3.26Å; D124-M128 PolarHBondContact O-N 3.4Å
125	V	94.4	Very high	91.7	Very high	4 Å²	4	75 Å²	75	2%	0.024	38%	0.383	C	S	.	.	H	α-helix	trans	-59.3	-47.7	177.2	176	0	0	0	0	110.3	Y91 L120 T121 T122 K127 M128 L129 L150 V219	Y91-V125 HydrophobicContact CD1-CG2 4.2Å; Y91-V125 HydrophobicContact CD2-CG2 3.47Å; Y91-V125 VanDerWaalsContact CD2-CG2 3.47Å; Y91-V125 HydrophobicContact CE1-CG2 4.37Å; Y91-V125 HydrophobicContact CE2-CG2 3.66Å; Y91-V125 HydrophobicContact CG-CG2 3.77Å; L120-V125 HydrophobicContact CB-CG2 4.28Å; L120-V125 HydrophobicContact CD1-CG2 4.41Å; T121-V125 PolarHBondContact O-N 3.27Å; T121-V125 VanDerWaalsContact O-N 3.1Å; T122-V125 PolarHBondContact O-N 3.04Å; V125-K127 VanDerWaalsContact C-N 3.28Å; V125-K127 PolarHBondContact O-N 3.2Å; V125-M128 WeakPolarHBondContact O-CB 3.37Å; V125-M128 PolarHBondContact O-N 2.9Å; V125-M128 VanDerWaalsContact O-N 3.11Å; V125-L129 HydrophobicContact CG1-CD1 3.93Å; V125-L129 HydrophobicContact CG1-CG 4.21Å; V125-L129 VanDerWaalsContact O-CG 3.29Å; V125-L129 WeakPolarHBondContact O-CG 3.44Å; V125-L129 PolarHBondContact O-N 3.49Å; V125-L150 HydrophobicContact CG2-CD1 4.38Å; V125-V219 HydrophobicContact CG1-CG1 4.06Å
126	N	93.9	Very high	92.8	Very high	93 Å²	93	77.6 Å²	77.6	50%	0.497	38%	0.382	S	S	.	.	H	α-helix	trans	-59.7	-36.5	178.3	-77.2	-32.4	0	0	0	113.1	T122 E123 D124 A130	T122-N126 WeakPolarHBondContact O-CB 3.34Å; T122-N126 VanDerWaalsContact O-CG 3.26Å; T122-N126 PolarHBondContact O-N 3.32Å; T122-N126 PolarHBondContact O-ND2 2.83Å; T122-N126 VanDerWaalsContact O-ND2 3.15Å; E123-N126 PolarHBondContact O-N 2.97Å; D124-N126 PolarHBondContact O-N 3.32Å; N126-A130 WeakPolarHBondContact O-CB 3.43Å; N126-A130 PolarHBondContact O-N 3.07Å
127	K	94.8	Very high	93.4	Very high	134 Å²	134	72.3 Å²	72.3	58%	0.583	36%	0.364	S	S	*	.	H	α-helix	trans	-66.9	-44.6	173.8	-72.7	169.6	-173.8	164.7	0	111.6	E123 D124 V125 L129 A130 A131	E123-K127 WeakPolarHBondContact O-CG 3.49Å; E123-K127 PolarHBondContact O-N 2.92Å; D124-K127 WeakPolarHBondContact O-CB 3.34Å; D124-K127 PolarHBondContact O-N 2.77Å; V125-K127 VanDerWaalsContact C-N 3.28Å; V125-K127 PolarHBondContact O-N 3.2Å; K127-L129 PolarHBondContact O-N 3.02Å; K127-A130 WeakPolarHBondContact O-CB 3.32Å; K127-A130 PolarHBondContact O-N 3.34Å; K127-A130 VanDerWaalsContact O-N 3.15Å; K127-A131 PolarHBondContact O-N 3.43Å
128	M	95.2	Very high	93.7	Very high	9 Å²	9	69.4 Å²	69.4	4%	0.044	36%	0.356	C	S	.	.	H	α-helix	trans	-61.3	-43.2	176.5	-69.1	179.4	171.1	0	0	112	L120 D124 V125 A130 A131 A132 D147 L150	L120-M128 HydrophobicContact CD1-CE 4.23Å; L120-M128 HydrophobicContact CD1-SD 4.1Å; L120-M128 HydrophobicContact CD2-CE 4.05Å; D124-M128 WeakPolarHBondContact O-CG 3.26Å; D124-M128 PolarHBondContact O-N 3.4Å; V125-M128 WeakPolarHBondContact O-CB 3.37Å; V125-M128 PolarHBondContact O-N 2.9Å; V125-M128 VanDerWaalsContact O-N 3.11Å; M128-A130 VanDerWaalsContact C-N 3.28Å; M128-A130 PolarHBondContact O-N 2.94Å; M128-A131 PolarHBondContact O-N 2.83Å; M128-A132 PolarHBondContact O-N 2.96Å; M128-D147 WeakPolarHBondContact CE-O 3.31Å; M128-L150 HydrophobicContact SD-CD1 3.74Å
129	L	94.6	Very high	93.7	Very high	12 Å²	12	65 Å²	65	6%	0.063	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-33	175.2	-62.2	176.9	0	0	0	112.2	V125 K127 A133 N220 T221 A225	V125-L129 HydrophobicContact CG1-CD1 3.93Å; V125-L129 HydrophobicContact CG1-CG 4.21Å; V125-L129 VanDerWaalsContact O-CG 3.29Å; V125-L129 WeakPolarHBondContact O-CG 3.44Å; V125-L129 PolarHBondContact O-N 3.49Å; K127-L129 PolarHBondContact O-N 3.02Å; L129-A133 WeakPolarHBondContact O-CB 3.46Å; L129-A133 PolarHBondContact O-N 3.11Å; L129-N220 HydrophobicContact CD1-CB 3.67Å; L129-N220 HydrophobicContact CD2-CB 4.26Å; L129-N220 VanDerWaalsContact CD2-O 3.28Å; L129-N220 WeakPolarHBondContact CD2-O 3.47Å; L129-T221 VanDerWaalsContact CD2-O 3.25Å; L129-T221 WeakPolarHBondContact CD2-O 3.32Å; L129-A225 HydrophobicContact CB-CB 4.3Å; L129-A225 HydrophobicContact CD2-CB 3.96Å
130	A	94.3	Very high	93.8	Very high	21 Å²	21	61.5 Å²	61.5	17%	0.174	33%	0.328	C	S	.	.	H	α-helix	trans	-67.4	-37.8	173.6	0	0	0	0	0	114	N126 K127 M128 K134 K230	N126-A130 WeakPolarHBondContact O-CB 3.43Å; N126-A130 PolarHBondContact O-N 3.07Å; K127-A130 WeakPolarHBondContact O-CB 3.32Å; K127-A130 PolarHBondContact O-N 3.34Å; K127-A130 VanDerWaalsContact O-N 3.15Å; M128-A130 VanDerWaalsContact C-N 3.28Å; M128-A130 PolarHBondContact O-N 2.94Å; A130-K134 WeakPolarHBondContact O-CG 3.42Å; A130-K230 VanDerWaalsContact CB-CE 3.44Å
131	A	94.8	Very high	93.9	Very high	38 Å²	38	61.5 Å²	61.5	31%	0.314	33%	0.328	S	S	.	.	H	α-helix	trans	-66	-48.8	173.5	0	0	0	0	0	110.4	K127 M128 A133 K134 A135 L145 N148	K127-A131 PolarHBondContact O-N 3.43Å; M128-A131 PolarHBondContact O-N 2.83Å; A131-A133 PolarHBondContact O-N 3.25Å; A131-K134 CarbonylContact O-C 3.44Å; A131-K134 PolarHBondContact O-N 3.28Å; A131-K134 VanDerWaalsContact O-N 3.13Å; A131-A135 PolarHBondContact O-N 3.25Å; A131-A135 VanDerWaalsContact O-N 3.09Å; A131-L145 HydrophobicContact CB-CD2 4.39Å; A131-N148 HydrophobicContact CB-CB 4.47Å
132	A	94.3	Very high	93.9	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.008	31%	0.308	C	S	.	.	H	α-helix	trans	-60.9	-43.9	-179	0	0	0	0	0	113.4	M128 K134 A135 S222 A225	M128-A132 PolarHBondContact O-N 2.96Å; A132-K134 PolarHBondContact O-N 2.84Å; A132-A135 VanDerWaalsContact O-CB 3.32Å; A132-A135 WeakPolarHBondContact O-CB 3.25Å; A132-A135 PolarHBondContact O-N 3.13Å; A132-A135 VanDerWaalsContact O-N 3.16Å; A132-S222 WeakPolarHBondContact CB-O 3.28Å; A132-A225 HydrophobicContact CB-CB 4.23Å
133	A	93.6	Very high	94	Very high	38 Å²	38	58.2 Å²	58.2	31%	0.314	30%	0.299	S	S	.	.	H	α-helix	trans	-66.8	-18.4	178.2	0	0	0	0	0	114.1	L129 A131 A225 K230	L129-A133 WeakPolarHBondContact O-CB 3.46Å; L129-A133 PolarHBondContact O-N 3.11Å; A131-A133 PolarHBondContact O-N 3.25Å; A133-A225 WeakPolarHBondContact CA-O 3.08Å; A133-A225 HydrophobicContact CB-CB 4.38Å; A133-K230 HydrophobicContact CB-CG 3.84Å
134	K	93.3	Very high	94.1	Very high	172 Å²	172	57.3 Å²	57.3	75%	0.748	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-1	177.5	-68.1	-179	179.1	-176.1	0	112.7	A130 A131 A132	A130-K134 WeakPolarHBondContact O-CG 3.42Å; A131-K134 CarbonylContact O-C 3.44Å; A131-K134 PolarHBondContact O-N 3.28Å; A131-K134 VanDerWaalsContact O-N 3.13Å; A132-K134 PolarHBondContact O-N 2.84Å
135	A	93.9	Very high	94.1	Very high	26 Å²	26	56.6 Å²	56.6	22%	0.215	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-65.7	143.2	-177.5	0	0	0	0	0	110	A131 A132 L141 L145 Y226	A131-A135 PolarHBondContact O-N 3.25Å; A131-A135 VanDerWaalsContact O-N 3.09Å; A132-A135 VanDerWaalsContact O-CB 3.32Å; A132-A135 WeakPolarHBondContact O-CB 3.25Å; A132-A135 PolarHBondContact O-N 3.13Å; A132-A135 VanDerWaalsContact O-N 3.16Å; A135-L141 HydrophobicContact CB-CD1 3.53Å; A135-L145 HydrophobicContact CB-CD2 4.18Å; A135-Y226 HydrophobicContact CB-CD2 4.16Å; A135-Y226 HydrophobicContact CB-CE2 4.36Å
136	R	91.2	Very high	94.2	Very high	212 Å²	212	57.2 Å²	57.2	80%	0.8	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-87.1	141.3	177.7	-66.7	-177.2	-179.7	177.5	-0	109.2
137	P	91	Very high	94.2	Very high	79 Å²	79	56.7 Å²	56.7	51%	0.513	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-59.3	140	168	-20.5	32	0	0	0	110.7	Y226	P137-Y226 WeakPolarHBondContact CA-OH 3.28Å
138	G	92.4	Very high	94.2	Very high	16 Å²	16	54.9 Å²	54.9	17%	0.165	30%	0.295	C	S	.	.	S	Bend	trans	163.1	163.6	179.9	0	0	0	0	0	112.2	D140 L141 D247	G138-D140 PolarHBondContact O-N 3.35Å; G138-D140 VanDerWaalsContact O-N 3.09Å; G138-L141 WeakPolarHBondContact O-CB 3.22Å; G138-L141 PolarHBondContact O-N 3.13Å; G138-D247 PolarHBondContact N-OD2 3.26Å
139	S	91.8	Very high	94.2	Very high	43 Å²	43	54.4 Å²	54.4	30%	0.301	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	16.4	178.1	61.2	0	0	0	0	114	R143 E251	S139-R143 PolarHBondContact O-NH2 2.83Å; S139-E251 WeakPolarHBondContact O-CA 3.45Å; S139-E251 WeakPolarHBondContact O-CB 3.45Å; S139-E251 WeakPolarHBondContact O-CG 3.35Å
140	D	94.7	Very high	94.2	Very high	61 Å²	61	53.9 Å²	53.9	33%	0.326	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	13.7	176.7	64.3	-15.3	0	0	0	111.8	G138 F142 R143 N144 E251	G138-D140 PolarHBondContact O-N 3.35Å; G138-D140 VanDerWaalsContact O-N 3.09Å; D140-F142 PolarHBondContact O-N 3.41Å; D140-R143 PolarHBondContact O-N 3.03Å; D140-N144 WeakPolarHBondContact O-CB 3.5Å; D140-N144 PolarHBondContact O-N 2.95Å; D140-N144 PolarHBondContact O-ND2 3.36Å; D140-N144 PolarHBondContact OD1-ND2 3.29Å; D140-N144 PolarHBondContact OD2-ND2 2.95Å; D140-E251 VanDerWaalsContact CA-OE1 3.29Å; D140-E251 WeakPolarHBondContact CA-OE1 3.5Å
141	L	96	Very high	94.3	Very high	10 Å²	10	53.1 Å²	53.1	5%	0.052	28%	0.284	C	S	.	.	H	α-helix	trans	-55.7	-51.3	-176.3	175.5	62.8	0	0	0	112.3	A135 G138 N144 L145 Y226 F244 E251	A135-L141 HydrophobicContact CB-CD1 3.53Å; G138-L141 WeakPolarHBondContact O-CB 3.22Å; G138-L141 PolarHBondContact O-N 3.13Å; L141-N144 PolarHBondContact O-N 3.48Å; L141-L145 HydrophobicContact CD1-CD1 4.01Å; L141-L145 HydrophobicContact CD1-CG 4.38Å; L141-L145 HydrophobicContact CG-CD1 4.3Å; L141-L145 WeakPolarHBondContact O-CG 3.3Å; L141-L145 PolarHBondContact O-N 3.03Å; L141-Y226 HydrophobicContact CD1-CD2 4.3Å; L141-Y226 HydrophobicContact CD1-CE2 3.97Å; L141-Y226 HydrophobicContact CD2-CD2 4.46Å; L141-Y226 HydrophobicContact CD2-CE1 4.09Å; L141-Y226 HydrophobicContact CD2-CE2 4.03Å; L141-F244 HydrophobicContact CD2-CD2 4.15Å; L141-F244 HydrophobicContact CD2-CE2 3.87Å; L141-E251 PolarHBondContact N-OE1 2.85Å; L141-E251 PolarHBondContact N-OE2 3.29Å
142	F	96.8	Very high	94.2	Very high	10 Å²	10	52.1 Å²	52.1	4%	0.044	27%	0.274	C	S	.	.	H	α-helix	trans	-72.4	-36.4	-176.2	-76.8	-113.6	0	0	0	111.4	P99 F102 L103 D140 G146 I151 L159 F244 L248 E251	P99-F142 HydrophobicContact CB-CB 4.05Å; P99-F142 HydrophobicContact CB-CD1 3.69Å; P99-F142 HydrophobicContact CB-CG 4.18Å; P99-F142 WeakPolarHBondContact CB-O 3.23Å; F102-F142 AromaticContact CD1-CD1 3.57Å; F102-F142 HydrophobicContact CD1-CD1 3.57Å; F102-F142 AromaticContact CD1-CE1 3.5Å; F102-F142 HydrophobicContact CD1-CE1 3.5Å; F102-F142 VanDerWaalsContact CD1-CE1 3.5Å; F102-F142 HydrophobicContact CD1-CZ 4.44Å; F102-F142 HydrophobicContact CE1-CD1 4.24Å; F102-F142 AromaticContact CE1-CE1 3.99Å; F102-F142 HydrophobicContact CE1-CE1 3.99Å; F102-F142 HydrophobicContact CG-CD1 4.4Å; F102-F142 HydrophobicContact CG-CE1 4.16Å; L103-F142 HydrophobicContact CD1-CB 3.86Å; L103-F142 HydrophobicContact CD2-CB 4.09Å; L103-F142 HydrophobicContact CG-CB 4Å; D140-F142 PolarHBondContact O-N 3.41Å; F142-G146 PolarHBondContact O-N 2.83Å; F142-I151 HydrophobicContact CD1-CD1 4.34Å; F142-I151 HydrophobicContact CE1-CD1 3.75Å; F142-L159 HydrophobicContact CE1-CD1 3.88Å; F142-L159 HydrophobicContact CZ-CD1 3.91Å; F142-L159 HydrophobicContact CZ-CD2 3.91Å; F142-F244 HydrophobicContact CE2-CE2 4.17Å; F142-F244 HydrophobicContact CE2-CZ 4.31Å; F142-F244 HydrophobicContact CZ-CZ 4.49Å; F142-L248 HydrophobicContact CD2-CD1 3.9Å; F142-L248 HydrophobicContact CE2-CD1 3.58Å; F142-L248 HydrophobicContact CZ-CD1 3.97Å; F142-E251 WeakPolarHBondContact CB-OE2 3.25Å; F142-E251 WeakPolarHBondContact CD2-OE2 3.5Å; F142-E251 PolarHBondContact N-OE1 3.16Å; F142-E251 PolarHBondContact N-OE2 2.88Å
143	R	94.8	Very high	94.1	Very high	76 Å²	76	53.7 Å²	53.7	29%	0.287	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-43.4	173.7	-73	-178.9	-69.9	176.1	-3.9	111.8	L103 S139 D140 G146 E251 E254 M255	L103-R143 HydrophobicContact CD1-CG 3.97Å; S139-R143 PolarHBondContact O-NH2 2.83Å; D140-R143 PolarHBondContact O-N 3.03Å; R143-G146 PolarHBondContact O-N 3.41Å; R143-E251 WeakPolarHBondContact CB-OE1 3.49Å; R143-E251 VanDerWaalsContact CG-OE1 3.31Å; R143-E251 WeakPolarHBondContact CG-OE1 3.46Å; R143-E251 PolarHBondContact N-OE1 2.86Å; R143-E251 IonicContact NE-OE1 3.78Å; R143-E251 PolarHBondContact NE-OE1 3.46Å; R143-E254 IonicContact CZ-OE1 3.65Å; R143-E254 IonicContact CZ-OE2 3.43Å; R143-E254 VanDerWaalsContact NH1-CD 3.29Å; R143-E254 IonicContact NH1-OE1 2.78Å; R143-E254 PolarHBondContact NH1-OE1 3.1Å; R143-E254 IonicContact NH1-OE2 3.79Å; R143-E254 VanDerWaalsContact NH2-CD 3.3Å; R143-E254 IonicContact NH2-OE1 3.19Å; R143-E254 PolarHBondContact NH2-OE1 3.04Å; R143-E254 IonicContact NH2-OE2 3.54Å; R143-E254 PolarHBondContact NH2-OE2 3.43Å; R143-M255 HydrophobicContact CG-SD 4.25Å
144	N	95.7	Very high	93.9	Very high	115 Å²	115	53.3 Å²	53.3	62%	0.615	27%	0.274	S	S	*	.	H	α-helix	trans	-68.3	-38.3	178.9	-75.9	-23	0	0	0	112.4	D140 L141	D140-N144 WeakPolarHBondContact O-CB 3.5Å; D140-N144 PolarHBondContact O-N 2.95Å; D140-N144 PolarHBondContact O-ND2 3.36Å; D140-N144 PolarHBondContact OD1-ND2 3.29Å; D140-N144 PolarHBondContact OD2-ND2 2.95Å; L141-N144 PolarHBondContact O-N 3.48Å
145	L	95.6	Very high	93.8	Very high	19 Å²	19	45.3 Å²	45.3	10%	0.099	24%	0.239	C	C	.	.	H	α-helix	trans	-69.3	-37.1	173.1	-70.1	172.6	0	0	0	111.6	P99 A131 A135 L141 D147 N148	P99-L145 HydrophobicContact CB-CB 4.12Å; P99-L145 HydrophobicContact CG-CB 3.76Å; P99-L145 HydrophobicContact CG-CD1 4.17Å; A131-L145 HydrophobicContact CB-CD2 4.39Å; A135-L145 HydrophobicContact CB-CD2 4.18Å; L141-L145 HydrophobicContact CD1-CD1 4.01Å; L141-L145 HydrophobicContact CD1-CG 4.38Å; L141-L145 HydrophobicContact CG-CD1 4.3Å; L141-L145 WeakPolarHBondContact O-CG 3.3Å; L141-L145 PolarHBondContact O-N 3.03Å; L145-D147 PolarHBondContact O-N 2.96Å; L145-N148 WeakPolarHBondContact O-CA 3.16Å; L145-N148 VanDerWaalsContact O-CB 3.29Å; L145-N148 WeakPolarHBondContact O-CB 3.35Å; L145-N148 PolarHBondContact O-N 2.87Å
146	G	94.8	Very high	93.7	Very high	17 Å²	17	44.1 Å²	44.1	18%	0.175	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-118	177.5	0	0	0	0	0	112	P99 R100 F142 R143	P99-G146 WeakPolarHBondContact CB-O 3.26Å; P99-G146 VanDerWaalsContact CD-O 3.28Å; P99-G146 WeakPolarHBondContact CD-O 3.22Å; R100-G146 PolarHBondContact N-O 3.44Å; F142-G146 PolarHBondContact O-N 2.83Å; R143-G146 PolarHBondContact O-N 3.41Å
147	D	94.6	Very high	93.7	Very high	81 Å²	81	34.9 Å²	34.9	43%	0.433	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.4	176.6	-63.4	-42.5	0	0	0	113.4	T98 R100 M128 L145 G149	T98-D147 HydrophobicContact CG2-CB 4.31Å; T98-D147 WeakPolarHBondContact CG2-O 3.44Å; T98-D147 PolarHBondContact OG1-OD1 2.91Å; R100-D147 WeakPolarHBondContact CB-OD1 3.24Å; R100-D147 WeakPolarHBondContact CD-OD1 3.5Å; M128-D147 WeakPolarHBondContact CE-O 3.31Å; L145-D147 PolarHBondContact O-N 2.96Å; D147-G149 VanDerWaalsContact C-N 3.27Å; D147-G149 PolarHBondContact O-N 3.42Å; D147-G149 VanDerWaalsContact O-N 3.13Å
148	N	94.4	Very high	93.5	Very high	96 Å²	96	32 Å²	32	51%	0.513	18%	0.175	S	C	.	.	S	Bend	trans	-89.7	52	-177.1	-60.4	-52.1	0	0	0	112.4	A131 L145	A131-N148 HydrophobicContact CB-CB 4.47Å; L145-N148 WeakPolarHBondContact O-CA 3.16Å; L145-N148 VanDerWaalsContact O-CB 3.29Å; L145-N148 WeakPolarHBondContact O-CB 3.35Å; L145-N148 PolarHBondContact O-N 2.87Å
149	G	94.9	Very high	93.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.			trans	-158.2	163.1	175.1	0	0	0	0	0	114.3	T98 D147 S222	T98-G149 WeakPolarHBondContact CA-O 3.23Å; D147-G149 VanDerWaalsContact C-N 3.27Å; D147-G149 PolarHBondContact O-N 3.42Å; D147-G149 VanDerWaalsContact O-N 3.13Å; G149-S222 WeakPolarHBondContact CA-OG 3.4Å
150	L	95.4	Very high	93.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.			trans	-124.6	118.6	-178.9	-130.4	92	0	0	0	109.7	Y96 L120 V125 M128 V219 T221 S222	Y96-L150 HydrophobicContact CD1-CD2 3.45Å; Y96-L150 VanDerWaalsContact CD1-CD2 3.45Å; Y96-L150 HydrophobicContact CD1-CG 3.82Å; Y96-L150 HydrophobicContact CD2-CD2 4.09Å; Y96-L150 HydrophobicContact CE1-CD2 3.66Å; Y96-L150 HydrophobicContact CE1-CG 4.5Å; Y96-L150 HydrophobicContact CE2-CD2 4.29Å; Y96-L150 HydrophobicContact CG-CD2 3.69Å; Y96-L150 HydrophobicContact CG-CG 3.86Å; L120-L150 HydrophobicContact CD1-CD1 3.42Å; L120-L150 VanDerWaalsContact CD1-CD1 3.42Å; V125-L150 HydrophobicContact CG2-CD1 4.38Å; M128-L150 HydrophobicContact SD-CD1 3.74Å; L150-V219 HydrophobicContact CD2-CG1 4.27Å; L150-T221 WeakPolarHBondContact O-CB 3.47Å; L150-S222 PolarHBondContact N-OG 3.43Å; L150-S222 PolarHBondContact O-N 3.44Å
151	I	96.3	Very high	92.8	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-120.5	117.9	176.5	-60	172.3	0	0	0	107.9	M97 P99 F102 F142 E155 L159	M97-I151 HydrophobicContact CB-CB 4.08Å; M97-I151 PolarHBondContact N-O 2.57Å; M97-I151 WeakPolarHBondContact O-CB 3.2Å; M97-I151 PolarHBondContact O-N 3.44Å; P99-I151 HydrophobicContact CG-CD1 4.39Å; F102-I151 HydrophobicContact CB-CD1 3.73Å; F102-I151 HydrophobicContact CG-CD1 4.29Å; F142-I151 HydrophobicContact CD1-CD1 4.34Å; F142-I151 HydrophobicContact CE1-CD1 3.75Å; I151-E155 HydrophobicContact CG2-CB 3.94Å; I151-L159 HydrophobicContact CD1-CD1 4.17Å; I151-L159 HydrophobicContact CG2-CD1 4.12Å
152	S	93.7	Very high	92.3	Very high	16 Å²	16	29.7 Å²	29.7	11%	0.112	16%	0.158	C	C	.	.			trans	-76.3	164.6	175.2	65.2	0	0	0	0	111.8	T154 E155 Y156	S152-T154 PolarHBondContact O-N 3.26Å; S152-T154 PolarHBondContact OG-OG1 3.38Å; S152-T154 VanDerWaalsContact OG-OG1 3.13Å; S152-E155 WeakPolarHBondContact CB-OE2 3.46Å; S152-E155 PolarHBondContact N-OE2 3.47Å; S152-E155 PolarHBondContact O-N 2.89Å; S152-E155 VanDerWaalsContact OG-CD 3.23Å; S152-E155 VanDerWaalsContact OG-CG 3.28Å; S152-E155 WeakPolarHBondContact OG-CG 3.29Å; S152-E155 PolarHBondContact OG-N 2.92Å; S152-E155 PolarHBondContact OG-OE2 3.18Å; S152-Y156 WeakPolarHBondContact O-CB 3.39Å; S152-Y156 PolarHBondContact O-N 3.49Å
153	Y	91.3	Very high	91.7	Very high	35 Å²	35	29.6 Å²	29.6	14%	0.137	16%	0.157	C	C	.	.	H	α-helix	trans	-60.1	-34.2	176.7	176.4	-114.5	0	0	0	113.3	S77 K80 F83 Y156 L157	S77-Y153 PolarHBondContact OG-OH 2.99Å; K80-Y153 HydrophobicContact CB-CE2 3.94Å; K80-Y153 HydrophobicContact CD-CD1 3.94Å; K80-Y153 HydrophobicContact CD-CD2 3.59Å; K80-Y153 HydrophobicContact CD-CE1 3.97Å; K80-Y153 HydrophobicContact CD-CE2 3.63Å; K80-Y153 HydrophobicContact CD-CG 3.74Å; K80-Y153 HydrophobicContact CG-CE2 4.4Å; F83-Y153 HydrophobicContact CB-CD2 3.68Å; F83-Y153 HydrophobicContact CB-CE2 4.02Å; F83-Y153 AromaticContact CD1-CD2 3.91Å; F83-Y153 HydrophobicContact CD1-CD2 3.91Å; F83-Y153 HydrophobicContact CD1-CG 4.41Å; F83-Y153 AromaticContact CD2-CD2 3.94Å; F83-Y153 HydrophobicContact CD2-CD2 3.94Å; F83-Y153 AromaticContact CG-CD2 3.56Å; F83-Y153 HydrophobicContact CG-CD2 3.56Å; F83-Y153 HydrophobicContact CG-CE2 4.39Å; F83-Y153 HydrophobicContact CG-CG 4.4Å; Y153-Y156 HydrophobicContact CD2-CD1 4.1Å; Y153-Y156 HydrophobicContact CE2-CD1 4.17Å; Y153-Y156 WeakPolarHBondContact O-CB 3.36Å; Y153-L157 HydrophobicContact CD1-CD1 4.38Å; Y153-L157 HydrophobicContact CE1-CD1 3.7Å; Y153-L157 HydrophobicContact CE1-CG 4.39Å; Y153-L157 HydrophobicContact CE2-CD1 4.27Å; Y153-L157 HydrophobicContact CE2-CD2 4.22Å; Y153-L157 HydrophobicContact CE2-CG 4.12Å; Y153-L157 WeakPolarHBondContact O-CG 3.42Å; Y153-L157 PolarHBondContact O-N 2.67Å
154	T	88.9	Confident	90.8	Very high	30 Å²	30	28.2 Å²	28.2	18%	0.184	16%	0.157	C	C	.	.	H	α-helix	trans	-70.2	-38.4	178.1	43.3	0	0	0	0	111.7	S152 L157 F158 K194 I197	S152-T154 PolarHBondContact O-N 3.26Å; S152-T154 PolarHBondContact OG-OG1 3.38Å; S152-T154 VanDerWaalsContact OG-OG1 3.13Å; T154-L157 PolarHBondContact O-N 3.18Å; T154-F158 PolarHBondContact O-N 2.75Å; T154-K194 HydrophobicContact CG2-CB 4.36Å; T154-K194 HydrophobicContact CG2-CG 4.13Å; T154-I197 HydrophobicContact CG2-CB 4.31Å; T154-I197 HydrophobicContact CG2-CG2 4.1Å
155	E	91.7	Very high	90.2	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-71	-37.2	175.3	-68.9	165.4	143.4	0	0	111.6	I151 S152 L157 F158 L159 F190 T221 L223	I151-E155 HydrophobicContact CG2-CB 3.94Å; S152-E155 WeakPolarHBondContact CB-OE2 3.46Å; S152-E155 PolarHBondContact N-OE2 3.47Å; S152-E155 PolarHBondContact O-N 2.89Å; S152-E155 VanDerWaalsContact OG-CD 3.23Å; S152-E155 VanDerWaalsContact OG-CG 3.28Å; S152-E155 WeakPolarHBondContact OG-CG 3.29Å; S152-E155 PolarHBondContact OG-N 2.92Å; S152-E155 PolarHBondContact OG-OE2 3.18Å; E155-L157 VanDerWaalsContact C-N 3.31Å; E155-L157 PolarHBondContact O-N 3.33Å; E155-F158 WeakPolarHBondContact O-CB 3.37Å; E155-F158 PolarHBondContact O-N 2.74Å; E155-F158 VanDerWaalsContact O-N 3.12Å; E155-L159 WeakPolarHBondContact O-CB 3.31Å; E155-L159 VanDerWaalsContact O-CG 3.27Å; E155-L159 WeakPolarHBondContact O-CG 3.4Å; E155-L159 PolarHBondContact O-N 3.1Å; E155-F190 HydrophobicContact CG-CE1 4.48Å; E155-T221 VanDerWaalsContact CD-OG1 3.26Å; E155-T221 VanDerWaalsContact OE1-CB 3.25Å; E155-T221 WeakPolarHBondContact OE1-CB 3.33Å; E155-T221 PolarHBondContact OE1-OG1 3.04Å; E155-T221 WeakPolarHBondContact OE2-CB 3.48Å; E155-T221 VanDerWaalsContact OE2-CG2 3.23Å; E155-T221 WeakPolarHBondContact OE2-CG2 3.36Å; E155-T221 PolarHBondContact OE2-OG1 3.5Å; E155-L223 HydrophobicContact CB-CD2 4.31Å; E155-L223 HydrophobicContact CG-CD2 4.18Å
156	Y	92.8	Very high	89.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-53.4	-48.6	171.2	169.4	-108.5	0	0	0	111.5	F83 M97 F102 S105 S152 Y153 F158 L159 L160	F83-Y156 HydrophobicContact CB-CD1 4.03Å; F83-Y156 HydrophobicContact CB-CE1 4.02Å; F83-Y156 AromaticContact CD2-CD1 3.84Å; F83-Y156 HydrophobicContact CD2-CD1 3.84Å; F83-Y156 HydrophobicContact CD2-CD2 4.3Å; F83-Y156 AromaticContact CD2-CG 3.69Å; F83-Y156 HydrophobicContact CD2-CG 3.69Å; F83-Y156 HydrophobicContact CE2-CG 4.41Å; F83-Y156 HydrophobicContact CG-CD1 4.36Å; M97-Y156 HydrophobicContact CE-CD2 4.19Å; M97-Y156 HydrophobicContact CE-CE2 4.04Å; M97-Y156 HydrophobicContact SD-CD2 3.61Å; M97-Y156 HydrophobicContact SD-CE2 4.06Å; M97-Y156 HydrophobicContact SD-CG 4.14Å; F102-Y156 AromaticContact CD2-CD2 3.89Å; F102-Y156 HydrophobicContact CD2-CD2 3.89Å; F102-Y156 HydrophobicContact CD2-CE2 4.27Å; F102-Y156 HydrophobicContact CE2-CD2 4.28Å; S105-Y156 WeakPolarHBondContact OG-CE2 3.31Å; S152-Y156 WeakPolarHBondContact O-CB 3.39Å; S152-Y156 PolarHBondContact O-N 3.49Å; Y153-Y156 HydrophobicContact CD2-CD1 4.1Å; Y153-Y156 HydrophobicContact CE2-CD1 4.17Å; Y153-Y156 WeakPolarHBondContact O-CB 3.36Å; Y156-F158 VanDerWaalsContact C-N 3.33Å; Y156-F158 PolarHBondContact O-N 3.04Å; Y156-L159 PolarHBondContact O-N 3.18Å; Y156-L160 HydrophobicContact CD1-CD1 4.2Å; Y156-L160 HydrophobicContact CD2-CG 4.35Å; Y156-L160 HydrophobicContact CE1-CD1 3.56Å; Y156-L160 HydrophobicContact CE1-CG 4.31Å; Y156-L160 HydrophobicContact CE2-CD1 3.99Å; Y156-L160 HydrophobicContact CE2-CD2 4.12Å; Y156-L160 HydrophobicContact CE2-CG 3.96Å; Y156-L160 VanDerWaalsContact CZ-CD1 3.44Å; Y156-L160 WeakPolarHBondContact O-CB 3.44Å; Y156-L160 WeakPolarHBondContact O-CG 3.43Å; Y156-L160 PolarHBondContact O-N 2.71Å
157	L	89.4	Confident	88.9	Confident	18 Å²	18	32.5 Å²	32.5	9%	0.094	17%	0.165	C	C	.	.	H	α-helix	trans	-64.8	-37.4	176.9	-67.9	178	0	0	0	112.8	R79 Y153 T154 E155 T161 I197	R79-L157 HydrophobicContact CB-CD2 4Å; R79-L157 HydrophobicContact CG-CD2 4.4Å; Y153-L157 HydrophobicContact CD1-CD1 4.38Å; Y153-L157 HydrophobicContact CE1-CD1 3.7Å; Y153-L157 HydrophobicContact CE1-CG 4.39Å; Y153-L157 HydrophobicContact CE2-CD1 4.27Å; Y153-L157 HydrophobicContact CE2-CD2 4.22Å; Y153-L157 HydrophobicContact CE2-CG 4.12Å; Y153-L157 WeakPolarHBondContact O-CG 3.42Å; Y153-L157 PolarHBondContact O-N 2.67Å; T154-L157 PolarHBondContact O-N 3.18Å; E155-L157 VanDerWaalsContact C-N 3.31Å; E155-L157 PolarHBondContact O-N 3.33Å; L157-T161 PolarHBondContact O-N 3.38Å; L157-T161 PolarHBondContact O-OG1 3.03Å; L157-I197 HydrophobicContact CB-CD1 4.43Å; L157-I197 HydrophobicContact CD1-CG2 3.63Å
158	F	88.4	Confident	88.2	Confident	20 Å²	20	33.5 Å²	33.5	9%	0.088	18%	0.175	C	C	.	.	H	α-helix	trans	-62.7	-48.5	175.5	168.6	-102.2	0	0	0	111.5	T154 E155 Y156 L160 T161 I162 L177 F190 L193 L223 F241 F244	T154-F158 PolarHBondContact O-N 2.75Å; E155-F158 WeakPolarHBondContact O-CB 3.37Å; E155-F158 PolarHBondContact O-N 2.74Å; E155-F158 VanDerWaalsContact O-N 3.12Å; Y156-F158 VanDerWaalsContact C-N 3.33Å; Y156-F158 PolarHBondContact O-N 3.04Å; F158-L160 PolarHBondContact O-N 2.87Å; F158-T161 WeakPolarHBondContact O-CB 3.15Å; F158-T161 PolarHBondContact O-N 2.46Å; F158-T161 VanDerWaalsContact O-N 3.07Å; F158-I162 HydrophobicContact CD1-CD1 3.99Å; F158-I162 HydrophobicContact CE1-CD1 3.31Å; F158-I162 HydrophobicContact CE1-CG1 4.4Å; F158-I162 HydrophobicContact CE2-CD1 4.02Å; F158-I162 HydrophobicContact CE2-CG1 4.37Å; F158-I162 HydrophobicContact CZ-CD1 3.32Å; F158-I162 HydrophobicContact CZ-CG1 4.13Å; F158-I162 PolarHBondContact O-N 2.85Å; F158-L177 HydrophobicContact CE2-CD1 4.43Å; F158-F190 HydrophobicContact CD1-CE2 4.41Å; F158-F190 HydrophobicContact CD1-CZ 4.3Å; F158-F190 HydrophobicContact CE1-CE2 4.1Å; F158-F190 HydrophobicContact CE1-CZ 4.32Å; F158-F190 HydrophobicContact CE2-CE2 4.46Å; F158-F190 HydrophobicContact CZ-CE2 4.14Å; F158-L193 HydrophobicContact CD2-CD1 3.78Å; F158-L193 HydrophobicContact CE2-CD1 4.24Å; F158-L193 HydrophobicContact CG-CD1 4.34Å; F158-L223 HydrophobicContact CD1-CD2 3.79Å; F158-L223 HydrophobicContact CE1-CD2 3.88Å; F158-F241 HydrophobicContact CE2-CE2 4.22Å; F158-F241 HydrophobicContact CE2-CZ 4.27Å; F158-F241 AromaticContact CZ-CE2 3.69Å; F158-F241 HydrophobicContact CZ-CE2 3.69Å; F158-F241 HydrophobicContact CZ-CZ 4.1Å; F158-F244 HydrophobicContact CE1-CE1 4.48Å
159	L	91.9	Very high	87.7	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-62.3	-43.2	177	-66	171.2	0	0	0	111.9	F102 F142 I151 E155 Y156 T161 I162 M163 L223 F244 L248	F102-L159 HydrophobicContact CD1-CD1 4.4Å; F102-L159 HydrophobicContact CD2-CB 4.37Å; F102-L159 HydrophobicContact CD2-CD1 4.02Å; F102-L159 HydrophobicContact CE1-CB 4.44Å; F102-L159 HydrophobicContact CE1-CD1 4.35Å; F102-L159 HydrophobicContact CE2-CB 3.52Å; F102-L159 HydrophobicContact CE2-CD1 3.96Å; F102-L159 HydrophobicContact CE2-CG 4.4Å; F102-L159 HydrophobicContact CG-CD1 4.23Å; F102-L159 HydrophobicContact CZ-CB 3.57Å; F102-L159 HydrophobicContact CZ-CD1 4.14Å; F102-L159 HydrophobicContact CZ-CG 4.41Å; F142-L159 HydrophobicContact CE1-CD1 3.88Å; F142-L159 HydrophobicContact CZ-CD1 3.91Å; F142-L159 HydrophobicContact CZ-CD2 3.91Å; I151-L159 HydrophobicContact CD1-CD1 4.17Å; I151-L159 HydrophobicContact CG2-CD1 4.12Å; E155-L159 WeakPolarHBondContact O-CB 3.31Å; E155-L159 VanDerWaalsContact O-CG 3.27Å; E155-L159 WeakPolarHBondContact O-CG 3.4Å; E155-L159 PolarHBondContact O-N 3.1Å; Y156-L159 PolarHBondContact O-N 3.18Å; L159-T161 PolarHBondContact O-N 3.44Å; L159-I162 WeakPolarHBondContact O-CB 3.42Å; L159-I162 PolarHBondContact O-N 3.33Å; L159-I162 VanDerWaalsContact O-N 3.16Å; L159-M163 WeakPolarHBondContact O-CG 3.36Å; L159-M163 PolarHBondContact O-N 3.14Å; L159-M163 VanDerWaalsContact O-N 3.16Å; L159-L223 HydrophobicContact CD2-CD2 4.3Å; L159-F244 HydrophobicContact CD2-CE1 4.09Å; L159-F244 HydrophobicContact CD2-CZ 3.76Å; L159-L248 HydrophobicContact CB-CD2 4.43Å; L159-L248 HydrophobicContact CD2-CD2 3.64Å
160	L	88.2	Confident	87.2	Confident	10 Å²	10	29.5 Å²	29.5	5%	0.052	16%	0.156	C	C	.	.	H	α-helix	trans	-58.5	-35.4	173.2	-75.3	-171.4	0	0	0	112.6	F102 V106 Y156 F158 M163 L388	F102-L160 HydrophobicContact CE2-CD2 4.35Å; V106-L160 HydrophobicContact CG2-CD2 4.04Å; Y156-L160 HydrophobicContact CD1-CD1 4.2Å; Y156-L160 HydrophobicContact CD2-CG 4.35Å; Y156-L160 HydrophobicContact CE1-CD1 3.56Å; Y156-L160 HydrophobicContact CE1-CG 4.31Å; Y156-L160 HydrophobicContact CE2-CD1 3.99Å; Y156-L160 HydrophobicContact CE2-CD2 4.12Å; Y156-L160 HydrophobicContact CE2-CG 3.96Å; Y156-L160 VanDerWaalsContact CZ-CD1 3.44Å; Y156-L160 WeakPolarHBondContact O-CB 3.44Å; Y156-L160 WeakPolarHBondContact O-CG 3.43Å; Y156-L160 PolarHBondContact O-N 2.71Å; F158-L160 PolarHBondContact O-N 2.87Å; L160-M163 HydrophobicContact CD2-CE 4.29Å; L160-M163 HydrophobicContact CD2-SD 3.88Å; L160-L388 HydrophobicContact CD1-CD1 4.08Å; L160-L388 HydrophobicContact CD1-CD2 4.16Å; L160-L388 HydrophobicContact CD2-CD1 3.64Å; L160-L388 HydrophobicContact CD2-CD2 4.45Å; L160-L388 HydrophobicContact CG-CD1 4.33Å
161	T	84.3	Confident	86.8	Confident	64 Å²	64	33.4 Å²	33.4	39%	0.393	17%	0.174	S	C	.	.	H	α-helix	trans	-70.5	-41.2	178	-55.2	0	0	0	0	110.4	L157 F158 L159 M163 T164 K165	L157-T161 PolarHBondContact O-N 3.38Å; L157-T161 PolarHBondContact O-OG1 3.03Å; F158-T161 WeakPolarHBondContact O-CB 3.15Å; F158-T161 PolarHBondContact O-N 2.46Å; F158-T161 VanDerWaalsContact O-N 3.07Å; L159-T161 PolarHBondContact O-N 3.44Å; T161-M163 VanDerWaalsContact C-N 3.29Å; T161-M163 PolarHBondContact O-N 2.69Å; T161-T164 PolarHBondContact O-N 2.88Å; T161-T164 PolarHBondContact O-OG1 3.07Å; T161-K165 HydrophobicContact CG2-CG 4.26Å; T161-K165 WeakPolarHBondContact O-CG 3.28Å; T161-K165 PolarHBondContact O-N 2.66Å
162	I	85.6	Confident	86.3	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-43.1	177	-71.7	168.9	0	0	0	111.6	F158 L159 T164 K165 F244 M245 L248 Q249	F158-I162 HydrophobicContact CD1-CD1 3.99Å; F158-I162 HydrophobicContact CE1-CD1 3.31Å; F158-I162 HydrophobicContact CE1-CG1 4.4Å; F158-I162 HydrophobicContact CE2-CD1 4.02Å; F158-I162 HydrophobicContact CE2-CG1 4.37Å; F158-I162 HydrophobicContact CZ-CD1 3.32Å; F158-I162 HydrophobicContact CZ-CG1 4.13Å; F158-I162 PolarHBondContact O-N 2.85Å; L159-I162 WeakPolarHBondContact O-CB 3.42Å; L159-I162 PolarHBondContact O-N 3.33Å; L159-I162 VanDerWaalsContact O-N 3.16Å; I162-T164 PolarHBondContact O-N 3.25Å; I162-T164 VanDerWaalsContact O-N 3.11Å; I162-K165 PolarHBondContact O-N 3.23Å; I162-K165 VanDerWaalsContact O-N 3.12Å; I162-F244 HydrophobicContact CD1-CD1 4.24Å; I162-F244 HydrophobicContact CD1-CE1 3.74Å; I162-M245 HydrophobicContact CB-CG 4.32Å; I162-M245 HydrophobicContact CD1-CG 3.87Å; I162-M245 HydrophobicContact CD1-SD 4.34Å; I162-M245 HydrophobicContact CG1-CG 3.9Å; I162-M245 HydrophobicContact CG1-SD 3.89Å; I162-M245 HydrophobicContact CG2-CB 3.63Å; I162-M245 HydrophobicContact CG2-CG 3.48Å; I162-M245 VanDerWaalsContact CG2-CG 3.48Å; I162-M245 HydrophobicContact CG2-SD 4.08Å; I162-L248 HydrophobicContact CB-CD2 4.19Å; I162-L248 HydrophobicContact CD1-CD2 4.45Å; I162-L248 HydrophobicContact CG2-CD2 3.86Å; I162-Q249 PolarHBondContact O-NE2 2.84Å
163	M	83.1	Confident	85.9	Confident	7 Å²	7	38.2 Å²	38.2	3%	0.034	20%	0.202	C	C	.	.	H	α-helix	trans	-57.3	-30.2	-175	-71.4	167	40.2	0	0	114.3	F102 V106 L159 L160 T161 I252 R386	F102-M163 HydrophobicContact CE2-SD 4.42Å; F102-M163 HydrophobicContact CZ-SD 3.82Å; V106-M163 HydrophobicContact CB-CE 4.17Å; V106-M163 HydrophobicContact CB-SD 4.48Å; V106-M163 HydrophobicContact CG1-CE 3.32Å; V106-M163 HydrophobicContact CG1-SD 4.1Å; V106-M163 HydrophobicContact CG2-CE 3.74Å; V106-M163 HydrophobicContact CG2-SD 3.54Å; V106-M163 VanDerWaalsContact CG2-SD 3.54Å; L159-M163 WeakPolarHBondContact O-CG 3.36Å; L159-M163 PolarHBondContact O-N 3.14Å; L159-M163 VanDerWaalsContact O-N 3.16Å; L160-M163 HydrophobicContact CD2-CE 4.29Å; L160-M163 HydrophobicContact CD2-SD 3.88Å; T161-M163 VanDerWaalsContact C-N 3.29Å; T161-M163 PolarHBondContact O-N 2.69Å; M163-I252 HydrophobicContact CE-CD1 4.26Å; M163-I252 HydrophobicContact CG-CD1 3.46Å; M163-I252 VanDerWaalsContact CG-CD1 3.46Å; M163-I252 HydrophobicContact SD-CD1 3.54Å; M163-I252 VanDerWaalsContact SD-CD1 3.54Å; M163-R386 VanDerWaalsContact CE-CD 3.42Å
164	T	76.6	Confident	85.7	Confident	47 Å²	47	36.8 Å²	36.8	29%	0.288	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	2.1	-176.4	60.9	0	0	0	0	112.9	T161 I162	T161-T164 PolarHBondContact O-N 2.88Å; T161-T164 PolarHBondContact O-OG1 3.07Å; I162-T164 PolarHBondContact O-N 3.25Å; I162-T164 VanDerWaalsContact O-N 3.11Å
165	K	82.6	Confident	85.6	Confident	88 Å²	88	40.6 Å²	40.6	38%	0.383	21%	0.212	S	C	.	.			trans	-84.9	129.7	-179.9	-74.3	-75.7	171.6	-159.4	0	110.8	T161 I162 F170 Q249	T161-K165 HydrophobicContact CG2-CG 4.26Å; T161-K165 WeakPolarHBondContact O-CG 3.28Å; T161-K165 PolarHBondContact O-N 2.66Å; I162-K165 PolarHBondContact O-N 3.23Å; I162-K165 VanDerWaalsContact O-N 3.12Å; K165-F170 HydrophobicContact CB-CD1 4.16Å; K165-F170 HydrophobicContact CB-CE1 3.9Å; K165-F170 WeakPolarHBondContact O-CE1 3.36Å; K165-Q249 PolarHBondContact O-NE2 3.35Å
166	P	81.5	Confident	85.2	Confident	34 Å²	34	47.3 Å²	47.3	22%	0.221	25%	0.245	C	C	.	.			trans	-69.3	160.7	169.3	30.2	-34.6	0	0	0	110.5	T168 G169 F170	P166-T168 VanDerWaalsContact C-N 3.25Å; P166-T168 PolarHBondContact O-N 3.13Å; P166-G169 WeakPolarHBondContact O-CA 3.15Å; P166-G169 PolarHBondContact O-N 3.19Å; P166-F170 WeakPolarHBondContact O-CD1 3.39Å
167	R	81.2	Confident	84.8	Confident	119 Å²	119	48 Å²	48	45%	0.449	25%	0.249	S	C	.	.	H	α-helix	trans	-56.1	-37.3	-178.8	-71.4	-179.7	162.7	167.3	-7.9	113.2	G169 F170 E246	R167-G169 PolarHBondContact O-N 3.27Å; R167-F170 HydrophobicContact CB-CD2 4.46Å; R167-F170 HydrophobicContact CG-CD2 4.49Å; R167-F170 HydrophobicContact CG-CE2 4.14Å; R167-F170 VanDerWaalsContact O-CB 3.22Å; R167-F170 WeakPolarHBondContact O-CB 3.5Å; R167-F170 WeakPolarHBondContact O-CG 3.44Å; R167-F170 PolarHBondContact O-N 3.36Å; R167-F170 VanDerWaalsContact O-N 3.15Å; R167-E246 IonicContact CZ-OE1 3.12Å; R167-E246 IonicContact NE-OE1 3.32Å; R167-E246 PolarHBondContact NE-OE1 2.6Å; R167-E246 IonicContact NH2-OE1 3.26Å; R167-E246 PolarHBondContact NH2-OE1 3.2Å
168	T	79.9	Confident	84.8	Confident	103 Å²	103	47.9 Å²	47.9	63%	0.632	25%	0.248	S	C	*	.	H	α-helix	trans	-61.9	-31.8	175.8	50	0	0	0	0	112.4	P166 F170	P166-T168 VanDerWaalsContact C-N 3.25Å; P166-T168 PolarHBondContact O-N 3.13Å; T168-F170 VanDerWaalsContact C-N 3.29Å; T168-F170 PolarHBondContact O-N 2.86Å
169	G	83.4	Confident	84.7	Confident	12 Å²	12	51.5 Å²	51.5	12%	0.124	27%	0.272	C	S	.	.	H	α-helix	trans	-74.8	-13.9	177.4	0	0	0	0	0	114.4	P166 R167 I172 A173	P166-G169 WeakPolarHBondContact O-CA 3.15Å; P166-G169 PolarHBondContact O-N 3.19Å; R167-G169 PolarHBondContact O-N 3.27Å; G169-I172 PolarHBondContact O-N 3.25Å; G169-A173 WeakPolarHBondContact O-CB 3.41Å; G169-A173 PolarHBondContact O-N 3.03Å
170	F	85.4	Confident	84.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-42.6	-177.3	-70.6	-5.9	0	0	0	112.6	K165 P166 R167 T168 A173 F174 H242 M245 E246	K165-F170 HydrophobicContact CB-CD1 4.16Å; K165-F170 HydrophobicContact CB-CE1 3.9Å; K165-F170 WeakPolarHBondContact O-CE1 3.36Å; P166-F170 WeakPolarHBondContact O-CD1 3.39Å; R167-F170 HydrophobicContact CB-CD2 4.46Å; R167-F170 HydrophobicContact CG-CD2 4.49Å; R167-F170 HydrophobicContact CG-CE2 4.14Å; R167-F170 VanDerWaalsContact O-CB 3.22Å; R167-F170 WeakPolarHBondContact O-CB 3.5Å; R167-F170 WeakPolarHBondContact O-CG 3.44Å; R167-F170 PolarHBondContact O-N 3.36Å; R167-F170 VanDerWaalsContact O-N 3.15Å; T168-F170 VanDerWaalsContact C-N 3.29Å; T168-F170 PolarHBondContact O-N 2.86Å; F170-A173 PolarHBondContact O-N 2.65Å; F170-F174 PolarHBondContact O-N 2.7Å; F170-H242 AromaticContact CD2-CD2 3.72Å; F170-H242 AromaticContact CD2-NE2 3.9Å; F170-M245 HydrophobicContact CB-CE 3.25Å; F170-M245 HydrophobicContact CB-SD 4.49Å; F170-M245 HydrophobicContact CD1-CB 4.47Å; F170-M245 HydrophobicContact CD1-CE 3.36Å; F170-M245 HydrophobicContact CD1-SD 3.58Å; F170-M245 VanDerWaalsContact CD1-SD 3.58Å; F170-M245 HydrophobicContact CD2-CB 4.32Å; F170-M245 HydrophobicContact CD2-CE 3.53Å; F170-M245 HydrophobicContact CE1-CB 4Å; F170-M245 HydrophobicContact CE1-CE 3.98Å; F170-M245 HydrophobicContact CE1-SD 3.81Å; F170-M245 HydrophobicContact CE2-CB 3.82Å; F170-M245 HydrophobicContact CE2-CE 4.12Å; F170-M245 HydrophobicContact CG-CE 3.1Å; F170-M245 HydrophobicContact CG-SD 4Å; F170-M245 HydrophobicContact CZ-CB 3.65Å; F170-M245 HydrophobicContact CZ-CE 4.33Å; F170-M245 HydrophobicContact CZ-SD 4.4Å; F170-E246 HydrophobicContact CE2-CG 3.97Å
171	H	85.8	Confident	84.4	Confident	82 Å²	82	58.3 Å²	58.3	38%	0.38	32%	0.321	S	S	.	.	H	α-helix	trans	-66.9	-43.2	177.9	-168.9	64.3	0	0	0	111.5	A173 F174 Q175 Y238	H171-A173 VanDerWaalsContact C-N 3.34Å; H171-A173 PolarHBondContact O-N 3.38Å; H171-F174 WeakPolarHBondContact O-CB 3.44Å; H171-F174 PolarHBondContact O-N 3.37Å; H171-Q175 PolarHBondContact NE2-NE2 3.41Å; H171-Q175 WeakPolarHBondContact O-CG 3.39Å; H171-Q175 PolarHBondContact O-N 3.12Å; H171-Y238 HydrophobicContact CB-CE2 4.05Å; H171-Y238 AromaticContact ND1-CE2 3.76Å; H171-Y238 AromaticContact ND1-CZ 3.72Å
172	I	86.6	Confident	84.7	Confident	91 Å²	91	58 Å²	58	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-45.2	176.7	-59	172.9	0	0	0	110.5	G169 F174 Q175 M176	G169-I172 PolarHBondContact O-N 3.25Å; I172-F174 VanDerWaalsContact C-N 3.31Å; I172-F174 PolarHBondContact O-N 3.32Å; I172-Q175 PolarHBondContact O-N 3.42Å; I172-M176 HydrophobicContact CG2-CE 3.79Å; I172-M176 HydrophobicContact CG2-SD 4.36Å; I172-M176 VanDerWaalsContact O-CG 3.32Å; I172-M176 WeakPolarHBondContact O-CG 3.43Å; I172-M176 PolarHBondContact O-N 3.35Å
173	A	84.3	Confident	84.9	Confident	31 Å²	31	65 Å²	65	26%	0.256	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-38.3	177.7	0	0	0	0	0	112.3	G169 F170 H171 M176 L177 F241	G169-A173 WeakPolarHBondContact O-CB 3.41Å; G169-A173 PolarHBondContact O-N 3.03Å; F170-A173 PolarHBondContact O-N 2.65Å; H171-A173 VanDerWaalsContact C-N 3.34Å; H171-A173 PolarHBondContact O-N 3.38Å; A173-M176 PolarHBondContact O-N 2.88Å; A173-L177 WeakPolarHBondContact O-CG 3.35Å; A173-L177 PolarHBondContact O-N 2.95Å; A173-F241 HydrophobicContact CB-CE1 4.46Å
174	F	87.9	Confident	85.4	Confident	5 Å²	5	67.5 Å²	67.5	2%	0.022	36%	0.361	C	S	.	.	H	α-helix	trans	-65.8	-46.7	175.8	-173.4	-93.1	0	0	0	111.7	F170 H171 I172 M176 L177 D178 E183 V185 Y238 F241	F170-F174 PolarHBondContact O-N 2.7Å; H171-F174 WeakPolarHBondContact O-CB 3.44Å; H171-F174 PolarHBondContact O-N 3.37Å; I172-F174 VanDerWaalsContact C-N 3.31Å; I172-F174 PolarHBondContact O-N 3.32Å; F174-M176 PolarHBondContact O-N 2.93Å; F174-L177 WeakPolarHBondContact O-CA 3.23Å; F174-L177 WeakPolarHBondContact O-CB 3.48Å; F174-L177 PolarHBondContact O-N 3.44Å; F174-D178 HydrophobicContact CE1-CB 4.3Å; F174-D178 PolarHBondContact O-N 2.93Å; F174-E183 WeakPolarHBondContact CZ-O 3.37Å; F174-V185 HydrophobicContact CD2-CG2 4.08Å; F174-V185 HydrophobicContact CE1-CG2 4.46Å; F174-V185 HydrophobicContact CE2-CB 4.45Å; F174-V185 HydrophobicContact CE2-CG2 3.63Å; F174-V185 HydrophobicContact CZ-CG2 3.85Å; F174-Y238 HydrophobicContact CB-CD2 3.73Å; F174-Y238 HydrophobicContact CB-CE2 4.2Å; F174-Y238 HydrophobicContact CD1-CD2 4.01Å; F174-Y238 HydrophobicContact CD1-CG 4.41Å; F174-Y238 HydrophobicContact CD2-CD2 4.09Å; F174-Y238 AromaticContact CG-CD2 3.67Å; F174-Y238 HydrophobicContact CG-CD2 3.67Å; F174-Y238 HydrophobicContact CG-CG 4.42Å; F174-Y238 VanDerWaalsContact CZ-N 3.34Å; F174-F241 HydrophobicContact CB-CD1 3.96Å; F174-F241 HydrophobicContact CB-CE1 4.08Å; F174-F241 HydrophobicContact CD2-CB 3.79Å; F174-F241 AromaticContact CD2-CD1 3.68Å; F174-F241 HydrophobicContact CD2-CD1 3.68Å; F174-F241 HydrophobicContact CD2-CD2 4.48Å; F174-F241 HydrophobicContact CD2-CE1 4.35Å; F174-F241 AromaticContact CD2-CG 3.75Å; F174-F241 HydrophobicContact CD2-CG 3.75Å; F174-F241 HydrophobicContact CE2-CB 4.06Å; F174-F241 HydrophobicContact CE2-CG 4.42Å; F174-F241 HydrophobicContact CG-CD1 4.29Å
175	Q	86.8	Confident	86.1	Confident	110 Å²	110	65.2 Å²	65.2	51%	0.514	35%	0.347	S	S	.	.	H	α-helix	trans	-62.3	-29.2	175.8	-71.6	179.1	-34.5	0	0	113	H171 I172 L177	H171-Q175 PolarHBondContact NE2-NE2 3.41Å; H171-Q175 WeakPolarHBondContact O-CG 3.39Å; H171-Q175 PolarHBondContact O-N 3.12Å; I172-Q175 PolarHBondContact O-N 3.42Å; Q175-L177 VanDerWaalsContact C-N 3.26Å; Q175-L177 PolarHBondContact O-N 2.9Å
176	M	83.8	Confident	86.6	Confident	146 Å²	146	63.2 Å²	63.2	72%	0.719	34%	0.341	S	S	*	.	H	α-helix	trans	-70.8	-21.7	172.9	-74.9	179.2	176	0	0	113.2	I172 A173 F174	I172-M176 HydrophobicContact CG2-CE 3.79Å; I172-M176 HydrophobicContact CG2-SD 4.36Å; I172-M176 VanDerWaalsContact O-CG 3.32Å; I172-M176 WeakPolarHBondContact O-CG 3.43Å; I172-M176 PolarHBondContact O-N 3.35Å; A173-M176 PolarHBondContact O-N 2.88Å; F174-M176 PolarHBondContact O-N 2.93Å
177	L	84.9	Confident	87.1	Confident	14 Å²	14	63.5 Å²	63.5	7%	0.073	34%	0.338	C	S	.	.	H	α-helix	trans	-90.7	-39.7	177.2	-66.9	173.9	0	0	0	112.3	F158 A173 F174 Q175 V179 V185 L193 F241	F158-L177 HydrophobicContact CE2-CD1 4.43Å; A173-L177 WeakPolarHBondContact O-CG 3.35Å; A173-L177 PolarHBondContact O-N 2.95Å; F174-L177 WeakPolarHBondContact O-CA 3.23Å; F174-L177 WeakPolarHBondContact O-CB 3.48Å; F174-L177 PolarHBondContact O-N 3.44Å; Q175-L177 VanDerWaalsContact C-N 3.26Å; Q175-L177 PolarHBondContact O-N 2.9Å; L177-V179 PolarHBondContact O-N 3.38Å; L177-V179 VanDerWaalsContact O-N 3.16Å; L177-V185 HydrophobicContact CB-CG1 4.29Å; L177-V185 HydrophobicContact CB-CG2 3.77Å; L177-L193 HydrophobicContact CD2-CD1 3.61Å; L177-L193 HydrophobicContact CD2-CD2 3.69Å; L177-L193 HydrophobicContact CD2-CG 3.51Å; L177-F241 HydrophobicContact CD1-CE2 4.01Å; L177-F241 HydrophobicContact CD1-CZ 3.97Å
178	D	89.2	Confident	87.4	Confident	16 Å²	16	65.7 Å²	65.7	9%	0.086	35%	0.351	C	S	.	.			trans	-75.1	91.7	176.2	179.6	7.5	0	0	0	109.8	F174 G181 N182 E183 V185	F174-D178 HydrophobicContact CE1-CB 4.3Å; F174-D178 PolarHBondContact O-N 2.93Å; D178-G181 VanDerWaalsContact OD1-CA 3.29Å; D178-G181 WeakPolarHBondContact OD1-CA 3.38Å; D178-G181 PolarHBondContact OD1-N 2.85Å; D178-N182 PolarHBondContact OD1-N 3.24Å; D178-N182 VanDerWaalsContact OD1-N 3.14Å; D178-N182 PolarHBondContact OD2-N 3.39Å; D178-E183 WeakPolarHBondContact OD2-CA 3.41Å; D178-E183 PolarHBondContact OD2-N 3.43Å; D178-V185 HydrophobicContact CB-CG2 4.2Å
179	V	86.3	Confident	87.8	Confident	95 Å²	95	61.1 Å²	61.1	58%	0.576	32%	0.323	S	S	*	.	S	Bend	trans	-82.6	-29.2	-172.7	177.3	0	0	0	0	111.2	L177 E189 K192	L177-V179 PolarHBondContact O-N 3.38Å; L177-V179 VanDerWaalsContact O-N 3.16Å; V179-E189 PolarHBondContact N-OE1 2.72Å; V179-K192 HydrophobicContact CG2-CD 4.05Å
180	D	86.8	Confident	88	Confident	101 Å²	101	61 Å²	61	54%	0.54	32%	0.319	S	S	.	.	S	Bend	trans	-90.4	-10.1	179.8	72.2	4.6	0	0	0	113.5	N182 E189	D180-N182 VanDerWaalsContact C-N 3.34Å; D180-N182 VanDerWaalsContact OD1-CB 3.28Å; D180-N182 WeakPolarHBondContact OD1-CB 3.42Å; D180-N182 PolarHBondContact OD1-N 3.34Å; D180-N182 VanDerWaalsContact OD1-N 3.1Å; D180-N182 PolarHBondContact OD1-ND2 3.07Å; D180-N182 PolarHBondContact OD2-ND2 3.2Å; D180-E189 PolarHBondContact N-OE1 2.82Å
181	G	86.9	Confident	88	Confident	54 Å²	54	63.1 Å²	63.1	56%	0.557	33%	0.33	S	S	*	.			trans	74.9	23.7	174.7	0	0	0	0	0	113.1	D178 E183	D178-G181 VanDerWaalsContact OD1-CA 3.29Å; D178-G181 WeakPolarHBondContact OD1-CA 3.38Å; D178-G181 PolarHBondContact OD1-N 2.85Å; G181-E183 PolarHBondContact O-N 2.91Å
182	N	90	Very high	87.8	Confident	57 Å²	57	63.3 Å²	63.3	31%	0.305	33%	0.33	S	S	.	.	S	Bend	trans	-84.2	6	-176.8	78.8	35.4	0	0	0	113.5	D178 D180 Q184	D178-N182 PolarHBondContact OD1-N 3.24Å; D178-N182 VanDerWaalsContact OD1-N 3.14Å; D178-N182 PolarHBondContact OD2-N 3.39Å; D180-N182 VanDerWaalsContact C-N 3.34Å; D180-N182 VanDerWaalsContact OD1-CB 3.28Å; D180-N182 WeakPolarHBondContact OD1-CB 3.42Å; D180-N182 PolarHBondContact OD1-N 3.34Å; D180-N182 VanDerWaalsContact OD1-N 3.1Å; D180-N182 PolarHBondContact OD1-ND2 3.07Å; D180-N182 PolarHBondContact OD2-ND2 3.2Å; N182-Q184 PolarHBondContact O-N 3.36Å; N182-Q184 VanDerWaalsContact OD1-CA 3.27Å; N182-Q184 WeakPolarHBondContact OD1-CA 3.28Å; N182-Q184 WeakPolarHBondContact OD1-CB 3.41Å; N182-Q184 PolarHBondContact OD1-N 3.45Å; N182-Q184 PolarHBondContact OD1-O 3.06Å
183	E	89.2	Confident	87.1	Confident	152 Å²	152	60.8 Å²	60.8	71%	0.71	32%	0.317	S	S	*	.	S	Bend	trans	64.9	16.8	-176	-55.8	-174.4	163.2	0	0	114.5	F174 D178 G181	F174-E183 WeakPolarHBondContact CZ-O 3.37Å; D178-E183 WeakPolarHBondContact OD2-CA 3.41Å; D178-E183 PolarHBondContact OD2-N 3.43Å; G181-E183 PolarHBondContact O-N 2.91Å
184	Q	93.5	Very high	86.5	Confident	60 Å²	60	63.7 Å²	63.7	28%	0.28	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135.9	178.5	-46.8	179	7.1	0	0	109.7	N182 K235 L236 K237	N182-Q184 PolarHBondContact O-N 3.36Å; N182-Q184 VanDerWaalsContact OD1-CA 3.27Å; N182-Q184 WeakPolarHBondContact OD1-CA 3.28Å; N182-Q184 WeakPolarHBondContact OD1-CB 3.41Å; N182-Q184 PolarHBondContact OD1-N 3.45Å; N182-Q184 PolarHBondContact OD1-O 3.06Å; Q184-K235 HydrophobicContact CB-CB 4.12Å; Q184-K235 HydrophobicContact CB-CD 4.37Å; Q184-L236 CarbonylContact C-O 3.54Å; Q184-L236 WeakPolarHBondContact CA-O 3.39Å; Q184-K237 HydrophobicContact CG-CG 4.32Å
185	V	93.1	Very high	85.5	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.2	175.1	177.2	0	0	0	0	108.6	F174 L177 D178 E189 F190 F228 L236	F174-V185 HydrophobicContact CD2-CG2 4.08Å; F174-V185 HydrophobicContact CE1-CG2 4.46Å; F174-V185 HydrophobicContact CE2-CB 4.45Å; F174-V185 HydrophobicContact CE2-CG2 3.63Å; F174-V185 HydrophobicContact CZ-CG2 3.85Å; L177-V185 HydrophobicContact CB-CG1 4.29Å; L177-V185 HydrophobicContact CB-CG2 3.77Å; D178-V185 HydrophobicContact CB-CG2 4.2Å; V185-E189 WeakPolarHBondContact CA-OE2 3.16Å; V185-E189 HydrophobicContact CG1-CB 4.03Å; V185-F190 HydrophobicContact CG1-CB 4.26Å; V185-F228 HydrophobicContact CG1-CZ 4.37Å; V185-F228 VanDerWaalsContact O-CE1 3.31Å; V185-F228 WeakPolarHBondContact O-CE1 3.37Å; V185-L236 HydrophobicContact CB-CB 4.31Å; V185-L236 PolarHBondContact N-O 3.29Å; V185-L236 PolarHBondContact O-N 3.13Å
186	D	92.6	Very high	84.6	Confident	45 Å²	45	68.3 Å²	68.3	24%	0.241	35%	0.351	C	S	.	.			trans	-91.9	169.2	170.1	83.1	19	0	0	0	112.4	K188 E189 F190	D186-K188 VanDerWaalsContact C-N 3.26Å; D186-K188 PolarHBondContact O-N 2.99Å; D186-K188 VanDerWaalsContact OD1-CA 3.31Å; D186-K188 WeakPolarHBondContact OD1-CA 3.41Å; D186-K188 VanDerWaalsContact OD1-CB 3.3Å; D186-K188 WeakPolarHBondContact OD1-CB 3.46Å; D186-K188 PolarHBondContact OD1-N 3.08Å; D186-E189 PolarHBondContact N-OE2 3.26Å; D186-E189 PolarHBondContact O-N 3.35Å; D186-E189 WeakPolarHBondContact OD1-CG 3.48Å; D186-E189 PolarHBondContact OD1-N 3.26Å; D186-F190 PolarHBondContact O-N 3.11Å
187	K	90.8	Very high	83.4	Confident	41 Å²	41	63.7 Å²	63.7	18%	0.178	33%	0.328	C	S	.	.	H	α-helix	trans	-60.7	-35.2	179.2	-176.5	179.1	175.7	-174.1	0	112.5	L191 N220 Q224 F228	K187-L191 HydrophobicContact CG-CD1 4.22Å; K187-L191 WeakPolarHBondContact O-CB 3.34Å; K187-L191 VanDerWaalsContact O-CG 3.25Å; K187-L191 WeakPolarHBondContact O-CG 3.29Å; K187-L191 PolarHBondContact O-N 3.34Å; K187-N220 PolarHBondContact NZ-OD1 2.86Å; K187-Q224 VanDerWaalsContact CE-OE1 3.27Å; K187-F228 HydrophobicContact CB-CB 4.19Å; K187-F228 HydrophobicContact CB-CD1 4.36Å; K187-F228 HydrophobicContact CB-CD2 3.98Å; K187-F228 HydrophobicContact CB-CG 3.9Å; K187-F228 HydrophobicContact CG-CD2 4.1Å; K187-F228 HydrophobicContact CG-CG 4.43Å
188	K	88.5	Confident	81.9	Confident	165 Å²	165	64.7 Å²	64.7	72%	0.717	34%	0.342	S	S	*	.	H	α-helix	trans	-69.5	-40.4	-178	-64.2	179.4	178.5	178.5	0	110.3	D186 L191 K192	D186-K188 VanDerWaalsContact C-N 3.26Å; D186-K188 PolarHBondContact O-N 2.99Å; D186-K188 VanDerWaalsContact OD1-CA 3.31Å; D186-K188 WeakPolarHBondContact OD1-CA 3.41Å; D186-K188 VanDerWaalsContact OD1-CB 3.3Å; D186-K188 WeakPolarHBondContact OD1-CB 3.46Å; D186-K188 PolarHBondContact OD1-N 3.08Å; K188-L191 PolarHBondContact O-N 2.88Å; K188-K192 PolarHBondContact O-N 2.9Å
189	E	88.9	Confident	80	Confident	7 Å²	7	72.1 Å²	72.1	3%	0.033	37%	0.374	C	S	.	.	H	α-helix	trans	-63.4	-46.8	174.1	-71	-178.7	128.4	0	0	111.7	V179 D180 V185 D186 L191 K192	V179-E189 PolarHBondContact N-OE1 2.72Å; D180-E189 PolarHBondContact N-OE1 2.82Å; V185-E189 WeakPolarHBondContact CA-OE2 3.16Å; V185-E189 HydrophobicContact CG1-CB 4.03Å; D186-E189 PolarHBondContact N-OE2 3.26Å; D186-E189 PolarHBondContact O-N 3.35Å; D186-E189 WeakPolarHBondContact OD1-CG 3.48Å; D186-E189 PolarHBondContact OD1-N 3.26Å; E189-L191 VanDerWaalsContact C-N 3.26Å; E189-L191 PolarHBondContact O-N 3.33Å; E189-K192 VanDerWaalsContact O-CB 3.23Å; E189-K192 WeakPolarHBondContact O-CB 3.35Å; E189-K192 PolarHBondContact O-N 2.89Å
190	F	86.5	Confident	77.9	Confident	8 Å²	8	72.9 Å²	72.9	4%	0.035	38%	0.383	C	S	.	.	H	α-helix	trans	-58.1	-40.3	174.1	-171.8	-99.4	0	0	0	112	E155 F158 V185 D186 K192 L193 L223 Q224 F227 F228	E155-F190 HydrophobicContact CG-CE1 4.48Å; F158-F190 HydrophobicContact CD1-CE2 4.41Å; F158-F190 HydrophobicContact CD1-CZ 4.3Å; F158-F190 HydrophobicContact CE1-CE2 4.1Å; F158-F190 HydrophobicContact CE1-CZ 4.32Å; F158-F190 HydrophobicContact CE2-CE2 4.46Å; F158-F190 HydrophobicContact CZ-CE2 4.14Å; V185-F190 HydrophobicContact CG1-CB 4.26Å; D186-F190 PolarHBondContact O-N 3.11Å; F190-K192 PolarHBondContact O-N 3.01Å; F190-L193 HydrophobicContact CD2-CD1 4.15Å; F190-L193 HydrophobicContact CE2-CD1 3.98Å; F190-L193 HydrophobicContact CZ-CD1 4.44Å; F190-L193 VanDerWaalsContact O-CB 3.27Å; F190-L193 WeakPolarHBondContact O-CB 3.48Å; F190-L193 PolarHBondContact O-N 2.84Å; F190-L193 VanDerWaalsContact O-N 3.13Å; F190-L223 HydrophobicContact CZ-CD2 3.84Å; F190-L223 HydrophobicContact CZ-CG 4.36Å; F190-Q224 HydrophobicContact CD1-CG 4.17Å; F190-Q224 HydrophobicContact CE1-CG 4.15Å; F190-F227 HydrophobicContact CE2-CE2 4.46Å; F190-F228 HydrophobicContact CB-CE2 3.64Å; F190-F228 HydrophobicContact CB-CZ 3.58Å; F190-F228 AromaticContact CD1-CE2 3.94Å; F190-F228 HydrophobicContact CD1-CE2 3.94Å; F190-F228 HydrophobicContact CD2-CE2 4.31Å; F190-F228 HydrophobicContact CD2-CZ 4.24Å; F190-F228 AromaticContact CG-CE2 3.69Å; F190-F228 HydrophobicContact CG-CE2 3.69Å; F190-F228 AromaticContact CG-CZ 3.9Å; F190-F228 HydrophobicContact CG-CZ 3.9Å
191	L	85.5	Confident	76.1	Confident	46 Å²	46	74.7 Å²	74.7	24%	0.241	39%	0.386	C	S	.	.	H	α-helix	trans	-68.1	-18.1	176.3	-72	173.3	0	0	0	113.6	K187 K188 E189 L193 K194 N195	K187-L191 HydrophobicContact CG-CD1 4.22Å; K187-L191 WeakPolarHBondContact O-CB 3.34Å; K187-L191 VanDerWaalsContact O-CG 3.25Å; K187-L191 WeakPolarHBondContact O-CG 3.29Å; K187-L191 PolarHBondContact O-N 3.34Å; K188-L191 PolarHBondContact O-N 2.88Å; E189-L191 VanDerWaalsContact C-N 3.26Å; E189-L191 PolarHBondContact O-N 3.33Å; L191-L193 PolarHBondContact O-N 3.04Å; L191-K194 VanDerWaalsContact O-CB 3.29Å; L191-K194 WeakPolarHBondContact O-CB 3.41Å; L191-K194 PolarHBondContact O-N 3.48Å; L191-N195 PolarHBondContact O-N 2.92Å
192	K	81.6	Confident	73.7	Confident	86 Å²	86	80.1 Å²	80.1	37%	0.374	40%	0.402	S	S	.	.	H	α-helix	trans	-60.5	-27.2	171	-64.2	173.6	-174.6	164.1	0	111.4	V179 K188 E189 F190 K194 N195 I196	V179-K192 HydrophobicContact CG2-CD 4.05Å; K188-K192 PolarHBondContact O-N 2.9Å; E189-K192 VanDerWaalsContact O-CB 3.23Å; E189-K192 WeakPolarHBondContact O-CB 3.35Å; E189-K192 PolarHBondContact O-N 2.89Å; F190-K192 PolarHBondContact O-N 3.01Å; K192-K194 VanDerWaalsContact C-N 3.29Å; K192-K194 PolarHBondContact O-N 2.79Å; K192-N195 WeakPolarHBondContact O-CB 3.41Å; K192-N195 PolarHBondContact O-N 3.07Å; K192-N195 VanDerWaalsContact O-N 3.07Å; K192-I196 WeakPolarHBondContact O-CG1 3.28Å; K192-I196 PolarHBondContact O-N 2.75Å
193	L	71.4	Confident	71	Confident	37 Å²	37	86.3 Å²	86.3	19%	0.194	43%	0.426	C	S	.	.	H	α-helix	trans	-57.3	-41.8	171.1	-74.1	172.3	0	0	0	112.2	F158 L177 F190 L191 N195 I196 I197	F158-L193 HydrophobicContact CD2-CD1 3.78Å; F158-L193 HydrophobicContact CE2-CD1 4.24Å; F158-L193 HydrophobicContact CG-CD1 4.34Å; L177-L193 HydrophobicContact CD2-CD1 3.61Å; L177-L193 HydrophobicContact CD2-CD2 3.69Å; L177-L193 HydrophobicContact CD2-CG 3.51Å; F190-L193 HydrophobicContact CD2-CD1 4.15Å; F190-L193 HydrophobicContact CE2-CD1 3.98Å; F190-L193 HydrophobicContact CZ-CD1 4.44Å; F190-L193 VanDerWaalsContact O-CB 3.27Å; F190-L193 WeakPolarHBondContact O-CB 3.48Å; F190-L193 PolarHBondContact O-N 2.84Å; F190-L193 VanDerWaalsContact O-N 3.13Å; L191-L193 PolarHBondContact O-N 3.04Å; L193-N195 PolarHBondContact O-N 3.31Å; L193-I196 PolarHBondContact O-N 3.5Å; L193-I197 WeakPolarHBondContact O-CB 3.38Å; L193-I197 VanDerWaalsContact O-CG1 3.29Å; L193-I197 WeakPolarHBondContact O-CG1 3.36Å; L193-I197 PolarHBondContact O-N 3.2Å
194	K	71.5	Confident	68.5	Low	92 Å²	92	84.1 Å²	84.1	40%	0.4	43%	0.425	S	S	.	.	H	α-helix	trans	-59.5	-39.6	176.8	-177	178.3	-179.8	179.2	0	110.6	T154 L191 K192 G198	T154-K194 HydrophobicContact CG2-CB 4.36Å; T154-K194 HydrophobicContact CG2-CG 4.13Å; L191-K194 VanDerWaalsContact O-CB 3.29Å; L191-K194 WeakPolarHBondContact O-CB 3.41Å; L191-K194 PolarHBondContact O-N 3.48Å; K192-K194 VanDerWaalsContact C-N 3.29Å; K192-K194 PolarHBondContact O-N 2.79Å; K194-G198 WeakPolarHBondContact O-CA 3.28Å; K194-G198 PolarHBondContact O-N 3.34Å
195	N	68.7	Low	66	Low	92 Å²	92	87.3 Å²	87.3	49%	0.492	45%	0.451	S	S	.	.	H	α-helix	trans	-72.6	-39.5	179.9	-65.6	-23.6	0	0	0	112.3	L191 K192 L193 G198 K199	L191-N195 PolarHBondContact O-N 2.92Å; K192-N195 WeakPolarHBondContact O-CB 3.41Å; K192-N195 PolarHBondContact O-N 3.07Å; K192-N195 VanDerWaalsContact O-N 3.07Å; L193-N195 PolarHBondContact O-N 3.31Å; N195-G198 PolarHBondContact O-N 3.01Å; N195-K199 WeakPolarHBondContact O-CB 3.42Å; N195-K199 WeakPolarHBondContact O-CG 3.33Å; N195-K199 PolarHBondContact O-N 2.94Å
196	I	66.3	Low	63.7	Low	120 Å²	120	95.4 Å²	95.4	62%	0.615	49%	0.486	S	S	*	.	H	α-helix	trans	-66.9	-47.9	177.8	-65.9	166.8	0	0	0	110.4	K192 L193 G198	K192-I196 WeakPolarHBondContact O-CG1 3.28Å; K192-I196 PolarHBondContact O-N 2.75Å; L193-I196 PolarHBondContact O-N 3.5Å; I196-G198 VanDerWaalsContact C-N 3.31Å; I196-G198 PolarHBondContact O-N 3.03Å
197	I	58.8	Low	61.2	Low	49 Å²	49	101 Å²	101	25%	0.251	52%	0.516	S	S	.	.	H	α-helix	trans	-68.2	-34.2	178.7	-63.6	171	0	0	0	110.8	T154 L157 L193	T154-I197 HydrophobicContact CG2-CB 4.31Å; T154-I197 HydrophobicContact CG2-CG2 4.1Å; L157-I197 HydrophobicContact CB-CD1 4.43Å; L157-I197 HydrophobicContact CD1-CG2 3.63Å; L193-I197 WeakPolarHBondContact O-CB 3.38Å; L193-I197 VanDerWaalsContact O-CG1 3.29Å; L193-I197 WeakPolarHBondContact O-CG1 3.36Å; L193-I197 PolarHBondContact O-N 3.2Å
198	G	53.2	Low	58.7	Low	35 Å²	35	104.8 Å²	104.8	36%	0.361	54%	0.542	S	S	.	.	H	α-helix	trans	-72.6	-38.4	177.6	0	0	0	0	0	114.1	K194 N195 I196 S200 K201	K194-G198 WeakPolarHBondContact O-CA 3.28Å; K194-G198 PolarHBondContact O-N 3.34Å; N195-G198 PolarHBondContact O-N 3.01Å; I196-G198 VanDerWaalsContact C-N 3.31Å; I196-G198 PolarHBondContact O-N 3.03Å; G198-S200 PolarHBondContact O-N 2.97Å; G198-K201 WeakPolarHBondContact O-CB 3.39Å; G198-K201 PolarHBondContact O-N 3.02Å
199	K	49.6	Very low	56.4	Low	173 Å²	173	100.8 Å²	100.8	75%	0.752	54%	0.54	S	S	*	.	H	α-helix	trans	-70.3	-13	-179.4	-78.8	175	-179.1	-175.5	0	114.4	N195 K201	N195-K199 WeakPolarHBondContact O-CB 3.42Å; N195-K199 WeakPolarHBondContact O-CG 3.33Å; N195-K199 PolarHBondContact O-N 2.94Å; K199-K201 PolarHBondContact O-N 3.3Å
200	S	42.7	Very low	54	Low	110 Å²	110	109.6 Å²	109.6	77%	0.769	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-8.9	166.9	-179.5	0	0	0	0	112.6	G198	G198-S200 PolarHBondContact O-N 2.97Å
201	K	48.3	Very low	51.3	Low	139 Å²	139	118.3 Å²	118.3	60%	0.604	62%	0.619	S	S	*	*	S	Bend	trans	-95.1	133.6	172.3	-57.1	-173.9	178.8	-176.4	0	109.2	G198 K199	G198-K201 WeakPolarHBondContact O-CB 3.39Å; G198-K201 PolarHBondContact O-N 3.02Å; K199-K201 PolarHBondContact O-N 3.3Å
202	L	37	Very low	48.8	Very low	168 Å²	168	120.4 Å²	120.4	88%	0.88	64%	0.642	S	S	*	*			trans	-26.1	130.9	-175.4	-84.8	77.9	0	0	0	115.3	P204	L202-P204 WeakPolarHBondContact O-CD 3.23Å
203	K	33.6	Very low	46.6	Very low	188 Å²	188	120.9 Å²	120.9	82%	0.817	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-56.4	122.6	158.8	-73.4	177.5	174.9	170.4	0	108.9
204	P	37.2	Very low	44.9	Very low	105 Å²	105	127.1 Å²	127.1	68%	0.682	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-73.3	162.7	153.8	8.4	8.9	0	0	0	109.3	L202 K206	L202-P204 WeakPolarHBondContact O-CD 3.23Å; P204-K206 PolarHBondContact O-N 3.32Å
205	P	39.9	Very low	43.5	Very low	127 Å²	127	132 Å²	132	83%	0.825	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-55.4	134	-178.4	-19.6	30.4	0	0	0	110.9	D207	P205-D207 PolarHBondContact O-N 3.01Å
206	K	44.7	Very low	41.9	Very low	171 Å²	171	131.1 Å²	131.1	74%	0.743	73%	0.727	S	S	*	*	S	Bend	trans	-59.4	105.2	170.3	-71.6	176.9	171.7	-175.1	0	107.4	P204	P204-K206 PolarHBondContact O-N 3.32Å
207	D	40	Very low	41	Very low	162 Å²	162	130.2 Å²	130.2	87%	0.866	74%	0.738	S	S	*	*	S	Bend	trans	-167.6	13.4	149.5	-86.4	-24.4	0	0	0	113.9	P205	P205-D207 PolarHBondContact O-N 3.01Å
208	V	39.6	Very low	41.3	Very low	120 Å²	120	129.8 Å²	129.8	73%	0.727	74%	0.742	S	S	*	*	S	Bend	trans	-129.5	11.6	170.4	-160.7	0	0	0	0	111.8	E210	V208-E210 VanDerWaalsContact C-N 3.29Å; V208-E210 PolarHBondContact O-N 3.18Å
209	A	39.6	Very low	42.5	Very low	81 Å²	81	129.6 Å²	129.6	67%	0.669	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-2	-167.3	0	0	0	0	0	115.5
210	E	37.4	Very low	44.4	Very low	192 Å²	192	123.3 Å²	123.3	90%	0.897	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	5.1	-178.8	-76.2	-175.1	164	0	0	114.8	V208	V208-E210 VanDerWaalsContact C-N 3.29Å; V208-E210 PolarHBondContact O-N 3.18Å
211	K	31.4	Very low	46.8	Very low	192 Å²	192	118.2 Å²	118.2	84%	0.835	67%	0.672	S	S	*	*	S	Bend	trans	-132	6.9	175.6	-80.9	-171.9	175.1	180	0	116.5
212	A	33.4	Very low	49	Very low	89 Å²	89	111.9 Å²	111.9	74%	0.736	65%	0.645	S	S	*	*	S	Bend	trans	-101.6	10.3	174.4	0	0	0	0	0	113.5
213	A	35.2	Very low	51.7	Low	96 Å²	96	104.4 Å²	104.4	79%	0.793	61%	0.606	S	S	*	*	S	Bend	trans	-94.7	1.3	179.1	0	0	0	0	0	113.6
214	E	35.1	Very low	54.6	Low	168 Å²	168	96 Å²	96	79%	0.785	57%	0.57	S	S	*	*	S	Bend	trans	-101.1	112.8	170.4	-76.1	178.9	160.1	0	0	109.8	G216	E214-G216 PolarHBondContact O-N 2.93Å
215	E	41.8	Very low	57.4	Low	195 Å²	195	91.1 Å²	91.1	91%	0.911	54%	0.538	S	S	*	.			trans	47.3	56.8	149.1	-59.1	-172.8	160.1	0	0	118.3	A217	E215-A217 PolarHBondContact O-N 3.34Å
216	G	35.3	Very low	60	Low	73 Å²	73	87.1 Å²	87.1	75%	0.753	51%	0.507	S	S	*	.			trans	-74.1	106.1	152.1	0	0	0	0	0	109.1	E214 A218	E214-G216 PolarHBondContact O-N 2.93Å; G216-A218 VanDerWaalsContact C-N 3.29Å; G216-A218 PolarHBondContact O-N 2.95Å
217	A	46.6	Very low	62.4	Low	101 Å²	101	79.6 Å²	79.6	84%	0.835	47%	0.474	S	S	*	.			trans	-49.4	83.6	178.5	0	0	0	0	0	112.6	E215 V219	E215-A217 PolarHBondContact O-N 3.34Å; A217-V219 PolarHBondContact O-N 3.39Å
218	A	65.5	Low	65	Low	40 Å²	40	71.9 Å²	71.9	33%	0.331	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-68.1	122.1	173.1	0	0	0	0	0	107.5	G216 N220	G216-A218 VanDerWaalsContact C-N 3.29Å; G216-A218 PolarHBondContact O-N 2.95Å; A218-N220 PolarHBondContact O-N 3.37Å
219	V	79.5	Confident	67.5	Low	31 Å²	31	66.5 Å²	66.5	19%	0.188	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-51.8	124.1	177.1	-174	0	0	0	0	108.8	Y91 V125 L150 A217	Y91-V219 HydrophobicContact CD1-CB 4.34Å; Y91-V219 HydrophobicContact CD1-CG1 3.76Å; Y91-V219 HydrophobicContact CD1-CG2 3.74Å; Y91-V219 HydrophobicContact CE1-CB 4.25Å; Y91-V219 HydrophobicContact CE1-CG1 3.67Å; Y91-V219 HydrophobicContact CE1-CG2 3.51Å; V125-V219 HydrophobicContact CG1-CG1 4.06Å; L150-V219 HydrophobicContact CD2-CG1 4.27Å; A217-V219 PolarHBondContact O-N 3.39Å
220	N	87.8	Confident	69.8	Low	42 Å²	42	67.4 Å²	67.4	23%	0.225	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-62.3	139.8	173.1	-77.8	-11.3	0	0	0	108.7	L129 K187 A218 K230	L129-N220 HydrophobicContact CD1-CB 3.67Å; L129-N220 HydrophobicContact CD2-CB 4.26Å; L129-N220 VanDerWaalsContact CD2-O 3.28Å; L129-N220 WeakPolarHBondContact CD2-O 3.47Å; K187-N220 PolarHBondContact NZ-OD1 2.86Å; A218-N220 PolarHBondContact O-N 3.37Å; N220-K230 PolarHBondContact ND2-O 3.12Å; N220-K230 VanDerWaalsContact ND2-O 3.11Å
221	T	93.4	Very high	72.1	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.012	39%	0.388	C	S	.	.			trans	-111.1	167.5	-177.3	55.6	0	0	0	0	110.2	L129 L150 E155 L223 Q224 A225	L129-T221 VanDerWaalsContact CD2-O 3.25Å; L129-T221 WeakPolarHBondContact CD2-O 3.32Å; L150-T221 WeakPolarHBondContact O-CB 3.47Å; E155-T221 VanDerWaalsContact CD-OG1 3.26Å; E155-T221 VanDerWaalsContact OE1-CB 3.25Å; E155-T221 WeakPolarHBondContact OE1-CB 3.33Å; E155-T221 PolarHBondContact OE1-OG1 3.04Å; E155-T221 WeakPolarHBondContact OE2-CB 3.48Å; E155-T221 VanDerWaalsContact OE2-CG2 3.23Å; E155-T221 WeakPolarHBondContact OE2-CG2 3.36Å; E155-T221 PolarHBondContact OE2-OG1 3.5Å; T221-L223 VanDerWaalsContact C-N 3.32Å; T221-L223 PolarHBondContact O-N 2.94Å; T221-Q224 PolarHBondContact O-N 2.92Å; T221-Q224 WeakPolarHBondContact OG1-CB 3.31Å; T221-Q224 VanDerWaalsContact OG1-CD 3.3Å; T221-Q224 VanDerWaalsContact OG1-CG 3.23Å; T221-Q224 WeakPolarHBondContact OG1-CG 3.39Å; T221-Q224 PolarHBondContact OG1-N 3.45Å; T221-Q224 PolarHBondContact OG1-NE2 2.78Å; T221-A225 WeakPolarHBondContact O-CB 3.3Å; T221-A225 PolarHBondContact O-N 3.19Å
222	S	95	Very high	74.8	Confident	6 Å²	6	60.8 Å²	60.8	4%	0.042	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-38.5	-179.3	-71.3	0	0	0	0	112.7	A132 G149 L150 A225 Y226	A132-S222 WeakPolarHBondContact CB-O 3.28Å; G149-S222 WeakPolarHBondContact CA-OG 3.4Å; L150-S222 PolarHBondContact N-OG 3.43Å; L150-S222 PolarHBondContact O-N 3.44Å; S222-A225 PolarHBondContact O-N 2.99Å; S222-Y226 VanDerWaalsContact O-CB 3.27Å; S222-Y226 WeakPolarHBondContact O-CB 3.31Å; S222-Y226 PolarHBondContact O-N 2.68Å
223	L	94.1	Very high	77.4	Confident	11 Å²	11	61.9 Å²	61.9	6%	0.058	35%	0.35	C	S	.	.	H	α-helix	trans	-68.2	-39.7	179.6	-170.3	62.7	0	0	0	111.6	E155 F158 L159 F190 T221 Y226 F227 F244	E155-L223 HydrophobicContact CB-CD2 4.31Å; E155-L223 HydrophobicContact CG-CD2 4.18Å; F158-L223 HydrophobicContact CD1-CD2 3.79Å; F158-L223 HydrophobicContact CE1-CD2 3.88Å; L159-L223 HydrophobicContact CD2-CD2 4.3Å; F190-L223 HydrophobicContact CZ-CD2 3.84Å; F190-L223 HydrophobicContact CZ-CG 4.36Å; T221-L223 VanDerWaalsContact C-N 3.32Å; T221-L223 PolarHBondContact O-N 2.94Å; L223-Y226 PolarHBondContact O-N 3.39Å; L223-F227 HydrophobicContact CD1-CD2 3.95Å; L223-F227 HydrophobicContact CD1-CE2 3.32Å; L223-F227 HydrophobicContact CD1-CZ 3.66Å; L223-F227 HydrophobicContact CD2-CE2 4.1Å; L223-F227 HydrophobicContact CG-CD2 3.88Å; L223-F227 HydrophobicContact CG-CE2 3.53Å; L223-F227 HydrophobicContact CG-CZ 4.36Å; L223-F227 WeakPolarHBondContact O-CD2 3.49Å; L223-F227 PolarHBondContact O-N 3.48Å; L223-F244 HydrophobicContact CD1-CE1 4.29Å; L223-F244 HydrophobicContact CD1-CE2 3.91Å; L223-F244 HydrophobicContact CD1-CZ 3.56Å
224	Q	94.1	Very high	80.2	Confident	12 Å²	12	61.4 Å²	61.4	6%	0.056	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-42.9	173.1	-69.6	172.8	45.9	0	0	111.8	K187 F190 T221 Y226 F228	K187-Q224 VanDerWaalsContact CE-OE1 3.27Å; F190-Q224 HydrophobicContact CD1-CG 4.17Å; F190-Q224 HydrophobicContact CE1-CG 4.15Å; T221-Q224 PolarHBondContact O-N 2.92Å; T221-Q224 WeakPolarHBondContact OG1-CB 3.31Å; T221-Q224 VanDerWaalsContact OG1-CD 3.3Å; T221-Q224 VanDerWaalsContact OG1-CG 3.23Å; T221-Q224 WeakPolarHBondContact OG1-CG 3.39Å; T221-Q224 PolarHBondContact OG1-N 3.45Å; T221-Q224 PolarHBondContact OG1-NE2 2.78Å; Q224-Y226 VanDerWaalsContact C-N 3.31Å; Q224-Y226 PolarHBondContact O-N 2.76Å; Q224-F228 HydrophobicContact CB-CD2 4.39Å; Q224-F228 WeakPolarHBondContact O-CB 3.16Å; Q224-F228 WeakPolarHBondContact O-CD2 3.48Å; Q224-F228 PolarHBondContact O-N 2.94Å
225	A	95	Very high	83	Confident	2 Å²	2	58.3 Å²	58.3	2%	0.017	32%	0.318	C	S	.	.	H	α-helix	trans	-66	-34.6	177.6	0	0	0	0	0	112.5	L129 A132 A133 T221 S222 G229	L129-A225 HydrophobicContact CB-CB 4.3Å; L129-A225 HydrophobicContact CD2-CB 3.96Å; A132-A225 HydrophobicContact CB-CB 4.23Å; A133-A225 WeakPolarHBondContact CA-O 3.08Å; A133-A225 HydrophobicContact CB-CB 4.38Å; T221-A225 WeakPolarHBondContact O-CB 3.3Å; T221-A225 PolarHBondContact O-N 3.19Å; S222-A225 PolarHBondContact O-N 2.99Å; A225-G229 CarbonylContact O-C 3.6Å; A225-G229 WeakPolarHBondContact O-CA 3.48Å; A225-G229 PolarHBondContact O-N 3.29Å; A225-G229 VanDerWaalsContact O-N 3.11Å
226	Y	95.7	Very high	85.5	Confident	44 Å²	44	49.1 Å²	49.1	17%	0.173	28%	0.275	C	S	.	.	H	α-helix	trans	-67.1	-48.6	176.3	175.9	-105.3	0	0	0	111.8	A135 P137 L141 S222 L223 Q224 F244	A135-Y226 HydrophobicContact CB-CD2 4.16Å; A135-Y226 HydrophobicContact CB-CE2 4.36Å; P137-Y226 WeakPolarHBondContact CA-OH 3.28Å; L141-Y226 HydrophobicContact CD1-CD2 4.3Å; L141-Y226 HydrophobicContact CD1-CE2 3.97Å; L141-Y226 HydrophobicContact CD2-CD2 4.46Å; L141-Y226 HydrophobicContact CD2-CE1 4.09Å; L141-Y226 HydrophobicContact CD2-CE2 4.03Å; S222-Y226 VanDerWaalsContact O-CB 3.27Å; S222-Y226 WeakPolarHBondContact O-CB 3.31Å; S222-Y226 PolarHBondContact O-N 2.68Å; L223-Y226 PolarHBondContact O-N 3.39Å; Q224-Y226 VanDerWaalsContact C-N 3.31Å; Q224-Y226 PolarHBondContact O-N 2.76Å; Y226-F244 HydrophobicContact CD1-CD2 4.4Å; Y226-F244 AromaticContact CE1-CD2 3.71Å; Y226-F244 HydrophobicContact CE1-CD2 3.71Å; Y226-F244 HydrophobicContact CE1-CE2 4.2Å
227	F	94.8	Very high	88.4	Confident	12 Å²	12	50.7 Å²	50.7	5%	0.053	26%	0.261	C	S	.	.	H	α-helix	trans	-78.6	-43	-178.6	-67.6	-41.3	0	0	0	114	F190 L223 L236 F244	F190-F227 HydrophobicContact CE2-CE2 4.46Å; L223-F227 HydrophobicContact CD1-CD2 3.95Å; L223-F227 HydrophobicContact CD1-CE2 3.32Å; L223-F227 HydrophobicContact CD1-CZ 3.66Å; L223-F227 HydrophobicContact CD2-CE2 4.1Å; L223-F227 HydrophobicContact CG-CD2 3.88Å; L223-F227 HydrophobicContact CG-CE2 3.53Å; L223-F227 HydrophobicContact CG-CZ 4.36Å; L223-F227 WeakPolarHBondContact O-CD2 3.49Å; L223-F227 PolarHBondContact O-N 3.48Å; F227-L236 HydrophobicContact CB-CD1 4.4Å; F227-L236 HydrophobicContact CB-CD2 4.23Å; F227-L236 HydrophobicContact CD1-CD1 3.57Å; F227-L236 HydrophobicContact CD1-CD2 3.95Å; F227-L236 HydrophobicContact CD1-CG 4.37Å; F227-L236 HydrophobicContact CD2-CD2 3.97Å; F227-L236 HydrophobicContact CE1-CD1 4.02Å; F227-L236 HydrophobicContact CE1-CD2 4.24Å; F227-L236 HydrophobicContact CE2-CD2 4.24Å; F227-L236 HydrophobicContact CG-CD1 4.12Å; F227-L236 HydrophobicContact CG-CD2 3.81Å; F227-L236 HydrophobicContact CZ-CD2 4.38Å; F227-F244 HydrophobicContact CE1-CB 4.07Å; F227-F244 HydrophobicContact CE1-CD1 4.16Å; F227-F244 AromaticContact CE1-CD2 3.96Å; F227-F244 HydrophobicContact CE1-CD2 3.96Å; F227-F244 HydrophobicContact CE1-CE2 4.45Å; F227-F244 AromaticContact CE1-CG 3.78Å; F227-F244 HydrophobicContact CE1-CG 3.78Å; F227-F244 HydrophobicContact CZ-CB 4.33Å; F227-F244 AromaticContact CZ-CD1 3.56Å; F227-F244 HydrophobicContact CZ-CD1 3.56Å; F227-F244 AromaticContact CZ-CD2 3.93Å; F227-F244 HydrophobicContact CZ-CD2 3.93Å; F227-F244 AromaticContact CZ-CE1 3.73Å; F227-F244 HydrophobicContact CZ-CE1 3.73Å; F227-F244 HydrophobicContact CZ-CE2 4.09Å; F227-F244 AromaticContact CZ-CG 3.65Å; F227-F244 HydrophobicContact CZ-CG 3.65Å; F227-F244 AromaticContact CZ-CZ 4Å; F227-F244 HydrophobicContact CZ-CZ 4Å
228	F	94.8	Very high	90.5	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-110.4	1.9	-167.1	-49.3	-64.9	0	0	0	113.1	V185 K187 F190 Q224 G232 E233 N234 L236	V185-F228 HydrophobicContact CG1-CZ 4.37Å; V185-F228 VanDerWaalsContact O-CE1 3.31Å; V185-F228 WeakPolarHBondContact O-CE1 3.37Å; K187-F228 HydrophobicContact CB-CB 4.19Å; K187-F228 HydrophobicContact CB-CD1 4.36Å; K187-F228 HydrophobicContact CB-CD2 3.98Å; K187-F228 HydrophobicContact CB-CG 3.9Å; K187-F228 HydrophobicContact CG-CD2 4.1Å; K187-F228 HydrophobicContact CG-CG 4.43Å; F190-F228 HydrophobicContact CB-CE2 3.64Å; F190-F228 HydrophobicContact CB-CZ 3.58Å; F190-F228 AromaticContact CD1-CE2 3.94Å; F190-F228 HydrophobicContact CD1-CE2 3.94Å; F190-F228 HydrophobicContact CD2-CE2 4.31Å; F190-F228 HydrophobicContact CD2-CZ 4.24Å; F190-F228 AromaticContact CG-CE2 3.69Å; F190-F228 HydrophobicContact CG-CE2 3.69Å; F190-F228 AromaticContact CG-CZ 3.9Å; F190-F228 HydrophobicContact CG-CZ 3.9Å; Q224-F228 HydrophobicContact CB-CD2 4.39Å; Q224-F228 WeakPolarHBondContact O-CB 3.16Å; Q224-F228 WeakPolarHBondContact O-CD2 3.48Å; Q224-F228 PolarHBondContact O-N 2.94Å; F228-G232 CarbonylContact O-C 3.59Å; F228-G232 WeakPolarHBondContact O-CA 3.44Å; F228-G232 PolarHBondContact O-N 3.45Å; F228-E233 PolarHBondContact O-N 3.16Å; F228-N234 WeakPolarHBondContact CD1-O 3.25Å; F228-N234 PolarHBondContact O-N 3.38Å; F228-L236 HydrophobicContact CD1-CB 4.46Å; F228-L236 HydrophobicContact CE1-CB 3.69Å; F228-L236 HydrophobicContact CZ-CB 4.32Å; F228-L236 HydrophobicContact CZ-CD2 4.38Å
229	G	92.3	Very high	91.8	Very high	8 Å²	8	54.2 Å²	54.2	8%	0.082	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	176.3	-171.9	0	0	0	0	0	112.4	A225 R231 G232	A225-G229 CarbonylContact O-C 3.6Å; A225-G229 WeakPolarHBondContact O-CA 3.48Å; A225-G229 PolarHBondContact O-N 3.29Å; A225-G229 VanDerWaalsContact O-N 3.11Å; G229-R231 VanDerWaalsContact C-N 3.3Å; G229-R231 PolarHBondContact O-N 2.81Å; G229-G232 PolarHBondContact O-N 3.39Å
230	K	87.4	Confident	92.5	Very high	99 Å²	99	57.2 Å²	57.2	43%	0.43	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-33.3	-173.5	-74.1	-174.6	173.3	-172.7	0	113.3	A130 A133 N220	A130-K230 VanDerWaalsContact CB-CE 3.44Å; A133-K230 HydrophobicContact CB-CG 3.84Å; N220-K230 PolarHBondContact ND2-O 3.12Å; N220-K230 VanDerWaalsContact ND2-O 3.11Å
231	R	85.7	Confident	92.8	Very high	222 Å²	222	55.3 Å²	55.3	84%	0.838	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-7.3	-176.5	-47.1	-173.8	-160.7	-148	4.1	111.9	G229 E233	G229-R231 VanDerWaalsContact C-N 3.3Å; G229-R231 PolarHBondContact O-N 2.81Å; R231-E233 VanDerWaalsContact C-OE2 3.26Å; R231-E233 WeakPolarHBondContact CA-OE2 3.46Å; R231-E233 VanDerWaalsContact CB-OE2 3.23Å; R231-E233 WeakPolarHBondContact CB-OE2 3.44Å; R231-E233 PolarHBondContact N-OE2 3.07Å
232	G	87.9	Confident	92.7	Very high	24 Å²	24	57.3 Å²	57.3	25%	0.247	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	25.8	-176.8	0	0	0	0	0	113.2	F228 G229	F228-G232 CarbonylContact O-C 3.59Å; F228-G232 WeakPolarHBondContact O-CA 3.44Å; F228-G232 PolarHBondContact O-N 3.45Å; G229-G232 PolarHBondContact O-N 3.39Å
233	E	88.4	Confident	92.7	Very high	112 Å²	112	63.7 Å²	63.7	52%	0.523	29%	0.285	S	S	.	.			trans	-80.5	-26.1	-176.4	65.6	-85.6	-153.9	0	0	114	F228 R231	F228-E233 PolarHBondContact O-N 3.16Å; R231-E233 VanDerWaalsContact C-OE2 3.26Å; R231-E233 WeakPolarHBondContact CA-OE2 3.46Å; R231-E233 VanDerWaalsContact CB-OE2 3.23Å; R231-E233 WeakPolarHBondContact CB-OE2 3.44Å; R231-E233 PolarHBondContact N-OE2 3.07Å
234	N	93.6	Very high	92.7	Very high	85 Å²	85	63.3 Å²	63.3	46%	0.455	28%	0.283	S	S	.	.			trans	-84.7	157.6	-179.6	-59.8	-23.9	0	0	0	110.8	F228	F228-N234 WeakPolarHBondContact CD1-O 3.25Å; F228-N234 PolarHBondContact O-N 3.38Å
235	K	94.1	Very high	92.6	Very high	103 Å²	103	62.9 Å²	62.9	45%	0.448	28%	0.281	S	S	.	.			trans	-115.9	140.4	173.7	-63.7	-173.6	170	-160.7	0	109.5	Q184	Q184-K235 HydrophobicContact CB-CB 4.12Å; Q184-K235 HydrophobicContact CB-CD 4.37Å
236	L	95	Very high	92.5	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	115.7	-176.3	177	61.2	0	0	0	110.5	Q184 V185 F227 F228 E240 F241	Q184-L236 CarbonylContact C-O 3.54Å; Q184-L236 WeakPolarHBondContact CA-O 3.39Å; V185-L236 HydrophobicContact CB-CB 4.31Å; V185-L236 PolarHBondContact N-O 3.29Å; V185-L236 PolarHBondContact O-N 3.13Å; F227-L236 HydrophobicContact CB-CD1 4.4Å; F227-L236 HydrophobicContact CB-CD2 4.23Å; F227-L236 HydrophobicContact CD1-CD1 3.57Å; F227-L236 HydrophobicContact CD1-CD2 3.95Å; F227-L236 HydrophobicContact CD1-CG 4.37Å; F227-L236 HydrophobicContact CD2-CD2 3.97Å; F227-L236 HydrophobicContact CE1-CD1 4.02Å; F227-L236 HydrophobicContact CE1-CD2 4.24Å; F227-L236 HydrophobicContact CE2-CD2 4.24Å; F227-L236 HydrophobicContact CG-CD1 4.12Å; F227-L236 HydrophobicContact CG-CD2 3.81Å; F227-L236 HydrophobicContact CZ-CD2 4.38Å; F228-L236 HydrophobicContact CD1-CB 4.46Å; F228-L236 HydrophobicContact CE1-CB 3.69Å; F228-L236 HydrophobicContact CZ-CB 4.32Å; F228-L236 HydrophobicContact CZ-CD2 4.38Å; L236-E240 HydrophobicContact CD1-CB 3.81Å; L236-F241 HydrophobicContact CD1-CB 4.4Å; L236-F241 HydrophobicContact CD2-CB 4.41Å; L236-F241 HydrophobicContact CD2-CD2 3.86Å; L236-F241 HydrophobicContact CG-CB 4.31Å
237	K	94.9	Very high	92.4	Very high	106 Å²	106	64.9 Å²	64.9	46%	0.461	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	156.7	177.8	-64.9	179.5	-179.4	176.9	0	111.7	Q184 Q239 E240 F241	Q184-K237 HydrophobicContact CG-CG 4.32Å; K237-Q239 VanDerWaalsContact C-N 3.29Å; K237-Q239 PolarHBondContact O-N 3Å; K237-E240 HydrophobicContact CB-CG 4.45Å; K237-E240 PolarHBondContact N-OE2 3.4Å; K237-E240 VanDerWaalsContact N-OE2 3.08Å; K237-E240 PolarHBondContact O-N 3.22Å; K237-E240 VanDerWaalsContact O-N 3.11Å; K237-F241 PolarHBondContact O-N 2.97Å
238	Y	91.8	Very high	92.4	Very high	66 Å²	66	64.4 Å²	64.4	26%	0.259	29%	0.291	S	S	.	.	H	α-helix	trans	-55	-42.6	177	174.7	-113.9	0	0	0	113.2	H171 F174 E240 F241 H242	H171-Y238 HydrophobicContact CB-CE2 4.05Å; H171-Y238 AromaticContact ND1-CE2 3.76Å; H171-Y238 AromaticContact ND1-CZ 3.72Å; F174-Y238 HydrophobicContact CB-CD2 3.73Å; F174-Y238 HydrophobicContact CB-CE2 4.2Å; F174-Y238 HydrophobicContact CD1-CD2 4.01Å; F174-Y238 HydrophobicContact CD1-CG 4.41Å; F174-Y238 HydrophobicContact CD2-CD2 4.09Å; F174-Y238 AromaticContact CG-CD2 3.67Å; F174-Y238 HydrophobicContact CG-CD2 3.67Å; F174-Y238 HydrophobicContact CG-CG 4.42Å; F174-Y238 VanDerWaalsContact CZ-N 3.34Å; Y238-E240 VanDerWaalsContact C-N 3.29Å; Y238-E240 PolarHBondContact O-N 3.48Å; Y238-F241 PolarHBondContact O-N 3.13Å; Y238-H242 HydrophobicContact CE2-CB 4.39Å; Y238-H242 VanDerWaalsContact O-CB 3.29Å; Y238-H242 WeakPolarHBondContact O-CB 3.27Å; Y238-H242 PolarHBondContact O-N 3.07Å; Y238-H242 PolarHBondContact OH-CD2 3.3Å
239	Q	93.3	Very high	92.2	Very high	149 Å²	149	65.3 Å²	65.3	70%	0.696	30%	0.295	S	S	*	.	H	α-helix	trans	-62.4	-36.5	-179.7	-67.9	-177.8	-11	0	0	112.8	K237 R243	K237-Q239 VanDerWaalsContact C-N 3.29Å; K237-Q239 PolarHBondContact O-N 3Å; Q239-R243 WeakPolarHBondContact O-CB 3.49Å; Q239-R243 PolarHBondContact O-N 3.22Å
240	E	94	Very high	92.2	Very high	95 Å²	95	65.9 Å²	65.9	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-72.5	-42.1	177.4	-65.3	167.9	165.4	0	0	110.7	L236 K237 Y238 R243 F244	L236-E240 HydrophobicContact CD1-CB 3.81Å; K237-E240 HydrophobicContact CB-CG 4.45Å; K237-E240 PolarHBondContact N-OE2 3.4Å; K237-E240 VanDerWaalsContact N-OE2 3.08Å; K237-E240 PolarHBondContact O-N 3.22Å; K237-E240 VanDerWaalsContact O-N 3.11Å; Y238-E240 VanDerWaalsContact C-N 3.29Å; Y238-E240 PolarHBondContact O-N 3.48Å; E240-R243 PolarHBondContact O-N 2.87Å; E240-F244 WeakPolarHBondContact O-CB 3.41Å; E240-F244 PolarHBondContact O-N 2.91Å
241	F	92.6	Very high	92.6	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-61.8	-46	174.7	-175	-107.6	0	0	0	112.2	F158 A173 F174 L177 L236 K237 Y238 F244 M245	F158-F241 HydrophobicContact CE2-CE2 4.22Å; F158-F241 HydrophobicContact CE2-CZ 4.27Å; F158-F241 AromaticContact CZ-CE2 3.69Å; F158-F241 HydrophobicContact CZ-CE2 3.69Å; F158-F241 HydrophobicContact CZ-CZ 4.1Å; A173-F241 HydrophobicContact CB-CE1 4.46Å; F174-F241 HydrophobicContact CB-CD1 3.96Å; F174-F241 HydrophobicContact CB-CE1 4.08Å; F174-F241 HydrophobicContact CD2-CB 3.79Å; F174-F241 AromaticContact CD2-CD1 3.68Å; F174-F241 HydrophobicContact CD2-CD1 3.68Å; F174-F241 HydrophobicContact CD2-CD2 4.48Å; F174-F241 HydrophobicContact CD2-CE1 4.35Å; F174-F241 AromaticContact CD2-CG 3.75Å; F174-F241 HydrophobicContact CD2-CG 3.75Å; F174-F241 HydrophobicContact CE2-CB 4.06Å; F174-F241 HydrophobicContact CE2-CG 4.42Å; F174-F241 HydrophobicContact CG-CD1 4.29Å; L177-F241 HydrophobicContact CD1-CE2 4.01Å; L177-F241 HydrophobicContact CD1-CZ 3.97Å; L236-F241 HydrophobicContact CD1-CB 4.4Å; L236-F241 HydrophobicContact CD2-CB 4.41Å; L236-F241 HydrophobicContact CD2-CD2 3.86Å; L236-F241 HydrophobicContact CG-CB 4.31Å; K237-F241 PolarHBondContact O-N 2.97Å; Y238-F241 PolarHBondContact O-N 3.13Å; F241-F244 PolarHBondContact O-N 2.9Å; F241-M245 HydrophobicContact CD1-CE 3.4Å; F241-M245 VanDerWaalsContact CD1-CE 3.4Å; F241-M245 HydrophobicContact CD1-SD 4.13Å; F241-M245 HydrophobicContact CE1-CE 3.31Å; F241-M245 HydrophobicContact CE1-CG 4.48Å; F241-M245 HydrophobicContact CE1-SD 3.54Å; F241-M245 VanDerWaalsContact CE1-SD 3.54Å; F241-M245 HydrophobicContact CG-CE 4.32Å; F241-M245 HydrophobicContact CZ-CE 4.2Å; F241-M245 HydrophobicContact CZ-SD 3.84Å; F241-M245 WeakPolarHBondContact O-CG 3.39Å; F241-M245 PolarHBondContact O-N 2.98Å
242	H	92.2	Very high	92.9	Very high	45 Å²	45	50.8 Å²	50.8	21%	0.208	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-51.5	176.2	-178.6	-78.3	0	0	0	110.9	F170 Y238 F244 M245 E246	F170-H242 AromaticContact CD2-CD2 3.72Å; F170-H242 AromaticContact CD2-NE2 3.9Å; Y238-H242 HydrophobicContact CE2-CB 4.39Å; Y238-H242 VanDerWaalsContact O-CB 3.29Å; Y238-H242 WeakPolarHBondContact O-CB 3.27Å; Y238-H242 PolarHBondContact O-N 3.07Å; Y238-H242 PolarHBondContact OH-CD2 3.3Å; H242-F244 VanDerWaalsContact C-N 3.34Å; H242-F244 PolarHBondContact O-N 3.4Å; H242-M245 PolarHBondContact O-N 3.17Å; H242-E246 IonicContact CE1-OE1 3.47Å; H242-E246 IonicContact CE1-OE2 2.69Å; H242-E246 PolarHBondContact CE1-OE2 2.93Å; H242-E246 IonicContact ND1-OE2 2.73Å; H242-E246 PolarHBondContact ND1-OE2 2.73Å; H242-E246 PolarHBondContact O-N 3.13Å; H242-E246 VanDerWaalsContact O-N 3.07Å
243	R	94.8	Very high	93.1	Very high	139 Å²	139	50.4 Å²	50.4	53%	0.525	23%	0.231	S	C	.	.	H	α-helix	trans	-59	-45.1	178.2	-174.6	179.1	-60.9	158.7	4.3	111.6	Q239 E240 M245 E246 D247	Q239-R243 WeakPolarHBondContact O-CB 3.49Å; Q239-R243 PolarHBondContact O-N 3.22Å; E240-R243 PolarHBondContact O-N 2.87Å; R243-M245 VanDerWaalsContact C-N 3.3Å; R243-M245 PolarHBondContact O-N 3.49Å; R243-E246 PolarHBondContact O-N 2.96Å; R243-D247 WeakPolarHBondContact CG-OD2 3.48Å; R243-D247 WeakPolarHBondContact O-CB 3.4Å; R243-D247 PolarHBondContact O-N 3.35Å
244	F	94.8	Very high	93.4	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-56.5	-43	177	170.9	-97.3	0	0	0	112.6	L141 F142 F158 L159 I162 L223 Y226 F227 E240 F241 H242 L248	L141-F244 HydrophobicContact CD2-CD2 4.15Å; L141-F244 HydrophobicContact CD2-CE2 3.87Å; F142-F244 HydrophobicContact CE2-CE2 4.17Å; F142-F244 HydrophobicContact CE2-CZ 4.31Å; F142-F244 HydrophobicContact CZ-CZ 4.49Å; F158-F244 HydrophobicContact CE1-CE1 4.48Å; L159-F244 HydrophobicContact CD2-CE1 4.09Å; L159-F244 HydrophobicContact CD2-CZ 3.76Å; I162-F244 HydrophobicContact CD1-CD1 4.24Å; I162-F244 HydrophobicContact CD1-CE1 3.74Å; L223-F244 HydrophobicContact CD1-CE1 4.29Å; L223-F244 HydrophobicContact CD1-CE2 3.91Å; L223-F244 HydrophobicContact CD1-CZ 3.56Å; Y226-F244 HydrophobicContact CD1-CD2 4.4Å; Y226-F244 AromaticContact CE1-CD2 3.71Å; Y226-F244 HydrophobicContact CE1-CD2 3.71Å; Y226-F244 HydrophobicContact CE1-CE2 4.2Å; F227-F244 HydrophobicContact CE1-CB 4.07Å; F227-F244 HydrophobicContact CE1-CD1 4.16Å; F227-F244 AromaticContact CE1-CD2 3.96Å; F227-F244 HydrophobicContact CE1-CD2 3.96Å; F227-F244 HydrophobicContact CE1-CE2 4.45Å; F227-F244 AromaticContact CE1-CG 3.78Å; F227-F244 HydrophobicContact CE1-CG 3.78Å; F227-F244 HydrophobicContact CZ-CB 4.33Å; F227-F244 AromaticContact CZ-CD1 3.56Å; F227-F244 HydrophobicContact CZ-CD1 3.56Å; F227-F244 AromaticContact CZ-CD2 3.93Å; F227-F244 HydrophobicContact CZ-CD2 3.93Å; F227-F244 AromaticContact CZ-CE1 3.73Å; F227-F244 HydrophobicContact CZ-CE1 3.73Å; F227-F244 HydrophobicContact CZ-CE2 4.09Å; F227-F244 AromaticContact CZ-CG 3.65Å; F227-F244 HydrophobicContact CZ-CG 3.65Å; F227-F244 AromaticContact CZ-CZ 4Å; F227-F244 HydrophobicContact CZ-CZ 4Å; E240-F244 WeakPolarHBondContact O-CB 3.41Å; E240-F244 PolarHBondContact O-N 2.91Å; F241-F244 PolarHBondContact O-N 2.9Å; H242-F244 VanDerWaalsContact C-N 3.34Å; H242-F244 PolarHBondContact O-N 3.4Å; F244-L248 HydrophobicContact CE1-CD2 4.31Å; F244-L248 HydrophobicContact CZ-CD2 4.38Å; F244-L248 VanDerWaalsContact O-CB 3.28Å; F244-L248 WeakPolarHBondContact O-CB 3.27Å; F244-L248 PolarHBondContact O-N 3.48Å
245	M	92	Very high	93.3	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-68.7	-40	179.2	-68.2	-170.1	-67	0	0	112.7	I162 F170 F241 H242 R243 Q249	I162-M245 HydrophobicContact CB-CG 4.32Å; I162-M245 HydrophobicContact CD1-CG 3.87Å; I162-M245 HydrophobicContact CD1-SD 4.34Å; I162-M245 HydrophobicContact CG1-CG 3.9Å; I162-M245 HydrophobicContact CG1-SD 3.89Å; I162-M245 HydrophobicContact CG2-CB 3.63Å; I162-M245 HydrophobicContact CG2-CG 3.48Å; I162-M245 VanDerWaalsContact CG2-CG 3.48Å; I162-M245 HydrophobicContact CG2-SD 4.08Å; F170-M245 HydrophobicContact CB-CE 3.25Å; F170-M245 HydrophobicContact CB-SD 4.49Å; F170-M245 HydrophobicContact CD1-CB 4.47Å; F170-M245 HydrophobicContact CD1-CE 3.36Å; F170-M245 HydrophobicContact CD1-SD 3.58Å; F170-M245 VanDerWaalsContact CD1-SD 3.58Å; F170-M245 HydrophobicContact CD2-CB 4.32Å; F170-M245 HydrophobicContact CD2-CE 3.53Å; F170-M245 HydrophobicContact CE1-CB 4Å; F170-M245 HydrophobicContact CE1-CE 3.98Å; F170-M245 HydrophobicContact CE1-SD 3.81Å; F170-M245 HydrophobicContact CE2-CB 3.82Å; F170-M245 HydrophobicContact CE2-CE 4.12Å; F170-M245 HydrophobicContact CG-CE 3.1Å; F170-M245 HydrophobicContact CG-SD 4Å; F170-M245 HydrophobicContact CZ-CB 3.65Å; F170-M245 HydrophobicContact CZ-CE 4.33Å; F170-M245 HydrophobicContact CZ-SD 4.4Å; F241-M245 HydrophobicContact CD1-CE 3.4Å; F241-M245 VanDerWaalsContact CD1-CE 3.4Å; F241-M245 HydrophobicContact CD1-SD 4.13Å; F241-M245 HydrophobicContact CE1-CE 3.31Å; F241-M245 HydrophobicContact CE1-CG 4.48Å; F241-M245 HydrophobicContact CE1-SD 3.54Å; F241-M245 VanDerWaalsContact CE1-SD 3.54Å; F241-M245 HydrophobicContact CG-CE 4.32Å; F241-M245 HydrophobicContact CZ-CE 4.2Å; F241-M245 HydrophobicContact CZ-SD 3.84Å; F241-M245 WeakPolarHBondContact O-CG 3.39Å; F241-M245 PolarHBondContact O-N 2.98Å; H242-M245 PolarHBondContact O-N 3.17Å; R243-M245 VanDerWaalsContact C-N 3.3Å; R243-M245 PolarHBondContact O-N 3.49Å; M245-Q249 WeakPolarHBondContact O-CG 3.29Å; M245-Q249 PolarHBondContact O-N 2.78Å
246	E	92.1	Very high	93.3	Very high	54 Å²	54	40.6 Å²	40.6	25%	0.252	19%	0.185	S	C	.	.	H	α-helix	trans	-63.7	-45.7	174.4	-69.5	-166.4	120.7	0	0	111.8	R167 F170 H242 R243 L248 Q249 A250	R167-E246 IonicContact CZ-OE1 3.12Å; R167-E246 IonicContact NE-OE1 3.32Å; R167-E246 PolarHBondContact NE-OE1 2.6Å; R167-E246 IonicContact NH2-OE1 3.26Å; R167-E246 PolarHBondContact NH2-OE1 3.2Å; F170-E246 HydrophobicContact CE2-CG 3.97Å; H242-E246 IonicContact CE1-OE1 3.47Å; H242-E246 IonicContact CE1-OE2 2.69Å; H242-E246 PolarHBondContact CE1-OE2 2.93Å; H242-E246 IonicContact ND1-OE2 2.73Å; H242-E246 PolarHBondContact ND1-OE2 2.73Å; H242-E246 PolarHBondContact O-N 3.13Å; H242-E246 VanDerWaalsContact O-N 3.07Å; R243-E246 PolarHBondContact O-N 2.96Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 2.87Å; E246-Q249 PolarHBondContact O-N 2.8Å; E246-A250 VanDerWaalsContact O-CB 3.32Å; E246-A250 WeakPolarHBondContact O-CB 3.33Å; E246-A250 PolarHBondContact O-N 2.87Å
247	D	94.8	Very high	93.2	Very high	34 Å²	34	40.8 Å²	40.8	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-42.7	178.6	-73.1	-15.1	0	0	0	111	G138 R243 A250 E251	G138-D247 PolarHBondContact N-OD2 3.26Å; R243-D247 WeakPolarHBondContact CG-OD2 3.48Å; R243-D247 WeakPolarHBondContact O-CB 3.4Å; R243-D247 PolarHBondContact O-N 3.35Å; D247-A250 PolarHBondContact O-N 3.12Å; D247-E251 VanDerWaalsContact O-CB 3.31Å; D247-E251 WeakPolarHBondContact O-CB 3.42Å; D247-E251 PolarHBondContact O-N 3.24Å
248	L	93.8	Very high	93.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-44.5	176.9	-179.9	62.6	0	0	0	112.2	F102 F142 L159 I162 F244 E246 A250 E251 I252	F102-L248 HydrophobicContact CE1-CD1 3.98Å; F142-L248 HydrophobicContact CD2-CD1 3.9Å; F142-L248 HydrophobicContact CE2-CD1 3.58Å; F142-L248 HydrophobicContact CZ-CD1 3.97Å; L159-L248 HydrophobicContact CB-CD2 4.43Å; L159-L248 HydrophobicContact CD2-CD2 3.64Å; I162-L248 HydrophobicContact CB-CD2 4.19Å; I162-L248 HydrophobicContact CD1-CD2 4.45Å; I162-L248 HydrophobicContact CG2-CD2 3.86Å; F244-L248 HydrophobicContact CE1-CD2 4.31Å; F244-L248 HydrophobicContact CZ-CD2 4.38Å; F244-L248 VanDerWaalsContact O-CB 3.28Å; F244-L248 WeakPolarHBondContact O-CB 3.27Å; F244-L248 PolarHBondContact O-N 3.48Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 2.87Å; L248-A250 VanDerWaalsContact C-N 3.35Å; L248-E251 PolarHBondContact O-N 3.27Å; L248-I252 HydrophobicContact CD1-CD1 4.11Å; L248-I252 HydrophobicContact CG-CD1 4.23Å; L248-I252 WeakPolarHBondContact O-CG1 3.42Å; L248-I252 PolarHBondContact O-N 3.26Å
249	Q	91.2	Very high	93.2	Very high	19 Å²	19	39.2 Å²	39.2	9%	0.089	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-43.5	176.2	-74.1	-178.2	-2.6	0	0	111	I162 K165 M245 E246 I252 Q253	I162-Q249 PolarHBondContact O-NE2 2.84Å; K165-Q249 PolarHBondContact O-NE2 3.35Å; M245-Q249 WeakPolarHBondContact O-CG 3.29Å; M245-Q249 PolarHBondContact O-N 2.78Å; E246-Q249 PolarHBondContact O-N 2.8Å; Q249-I252 PolarHBondContact O-N 2.8Å; Q249-Q253 WeakPolarHBondContact O-CB 3.43Å; Q249-Q253 WeakPolarHBondContact O-CG 3.48Å; Q249-Q253 PolarHBondContact O-N 3.17Å
250	A	92.6	Very high	93.2	Very high	20 Å²	20	32.9 Å²	32.9	17%	0.165	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-42.3	177.8	0	0	0	0	0	112.2	E246 D247 L248 I252 Q253 E254	E246-A250 VanDerWaalsContact O-CB 3.32Å; E246-A250 WeakPolarHBondContact O-CB 3.33Å; E246-A250 PolarHBondContact O-N 2.87Å; D247-A250 PolarHBondContact O-N 3.12Å; L248-A250 VanDerWaalsContact C-N 3.35Å; A250-I252 PolarHBondContact O-N 2.8Å; A250-Q253 PolarHBondContact O-N 3.32Å; A250-E254 WeakPolarHBondContact O-CB 3.29Å; A250-E254 PolarHBondContact O-N 2.68Å
251	E	95.1	Very high	93.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-44.7	178.6	-175	162.1	-156.4	0	0	111.8	S139 D140 L141 F142 R143 D247 L248 M255	S139-E251 WeakPolarHBondContact O-CA 3.45Å; S139-E251 WeakPolarHBondContact O-CB 3.45Å; S139-E251 WeakPolarHBondContact O-CG 3.35Å; D140-E251 VanDerWaalsContact CA-OE1 3.29Å; D140-E251 WeakPolarHBondContact CA-OE1 3.5Å; L141-E251 PolarHBondContact N-OE1 2.85Å; L141-E251 PolarHBondContact N-OE2 3.29Å; F142-E251 WeakPolarHBondContact CB-OE2 3.25Å; F142-E251 WeakPolarHBondContact CD2-OE2 3.5Å; F142-E251 PolarHBondContact N-OE1 3.16Å; F142-E251 PolarHBondContact N-OE2 2.88Å; R143-E251 WeakPolarHBondContact CB-OE1 3.49Å; R143-E251 VanDerWaalsContact CG-OE1 3.31Å; R143-E251 WeakPolarHBondContact CG-OE1 3.46Å; R143-E251 PolarHBondContact N-OE1 2.86Å; R143-E251 IonicContact NE-OE1 3.78Å; R143-E251 PolarHBondContact NE-OE1 3.46Å; D247-E251 VanDerWaalsContact O-CB 3.31Å; D247-E251 WeakPolarHBondContact O-CB 3.42Å; D247-E251 PolarHBondContact O-N 3.24Å; L248-E251 PolarHBondContact O-N 3.27Å; E251-M255 WeakPolarHBondContact O-CB 3.49Å; E251-M255 WeakPolarHBondContact O-CG 3.27Å; E251-M255 PolarHBondContact O-N 3.11Å
252	I	92.1	Very high	93.2	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-67.2	-42.5	177.7	-68.8	166.1	0	0	0	110.8	F102 L103 V106 M163 L248 Q249 A250 M255 E256	F102-I252 HydrophobicContact CE1-CD1 4.19Å; F102-I252 HydrophobicContact CZ-CD1 4.35Å; L103-I252 HydrophobicContact CD2-CG1 4.17Å; V106-I252 HydrophobicContact CG1-CD1 4.49Å; V106-I252 HydrophobicContact CG1-CG2 3.87Å; M163-I252 HydrophobicContact CE-CD1 4.26Å; M163-I252 HydrophobicContact CG-CD1 3.46Å; M163-I252 VanDerWaalsContact CG-CD1 3.46Å; M163-I252 HydrophobicContact SD-CD1 3.54Å; M163-I252 VanDerWaalsContact SD-CD1 3.54Å; L248-I252 HydrophobicContact CD1-CD1 4.11Å; L248-I252 HydrophobicContact CG-CD1 4.23Å; L248-I252 WeakPolarHBondContact O-CG1 3.42Å; L248-I252 PolarHBondContact O-N 3.26Å; Q249-I252 PolarHBondContact O-N 2.8Å; A250-I252 PolarHBondContact O-N 2.8Å; I252-M255 PolarHBondContact O-N 3.41Å; I252-E256 WeakPolarHBondContact O-CG 3.45Å; I252-E256 PolarHBondContact O-N 3.44Å
253	Q	92.3	Very high	93.1	Very high	16 Å²	16	37.2 Å²	37.2	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-61.7	-43.8	177.4	-73.1	164.8	3.6	0	0	111.9	Q249 A250 M255 E256 F257 F307 C311	Q249-Q253 WeakPolarHBondContact O-CB 3.43Å; Q249-Q253 WeakPolarHBondContact O-CG 3.48Å; Q249-Q253 PolarHBondContact O-N 3.17Å; A250-Q253 PolarHBondContact O-N 3.32Å; Q253-M255 VanDerWaalsContact C-N 3.34Å; Q253-E256 PolarHBondContact O-N 2.87Å; Q253-F257 WeakPolarHBondContact O-CB 3.28Å; Q253-F257 PolarHBondContact O-N 2.95Å; Q253-F307 HydrophobicContact CB-CE1 4.29Å; Q253-F307 WeakPolarHBondContact O-CE1 3.24Å; Q253-C311 HydrophobicContact CG-CB 4.02Å
254	E	93.8	Very high	93	Very high	54 Å²	54	36.4 Å²	36.4	25%	0.252	19%	0.185	S	C	.	.	H	α-helix	trans	-62	-44.3	176.5	-167.6	-171.3	147.9	0	0	111.2	R143 A250 E256 F257 L258 F304	R143-E254 IonicContact CZ-OE1 3.65Å; R143-E254 IonicContact CZ-OE2 3.43Å; R143-E254 VanDerWaalsContact NH1-CD 3.29Å; R143-E254 IonicContact NH1-OE1 2.78Å; R143-E254 PolarHBondContact NH1-OE1 3.1Å; R143-E254 IonicContact NH1-OE2 3.79Å; R143-E254 VanDerWaalsContact NH2-CD 3.3Å; R143-E254 IonicContact NH2-OE1 3.19Å; R143-E254 PolarHBondContact NH2-OE1 3.04Å; R143-E254 IonicContact NH2-OE2 3.54Å; R143-E254 PolarHBondContact NH2-OE2 3.43Å; A250-E254 WeakPolarHBondContact O-CB 3.29Å; A250-E254 PolarHBondContact O-N 2.68Å; E254-E256 PolarHBondContact O-N 3.39Å; E254-F257 PolarHBondContact O-N 3.4Å; E254-L258 HydrophobicContact CG-CD1 4.28Å; E254-L258 WeakPolarHBondContact O-CB 3.48Å; E254-L258 VanDerWaalsContact O-CG 3.32Å; E254-L258 WeakPolarHBondContact O-CG 3.49Å; E254-L258 PolarHBondContact O-N 2.91Å; E254-F304 HydrophobicContact CB-CE2 4.15Å; E254-F304 HydrophobicContact CB-CZ 3.89Å; E254-F304 HydrophobicContact CG-CE2 4.39Å; E254-F304 HydrophobicContact CG-CZ 4.14Å
255	M	93.1	Very high	92.9	Very high	39 Å²	39	43.4 Å²	43.4	19%	0.192	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-43.6	176.7	-83.2	-61.7	-36.5	0	0	112.8	M107 R143 E251 I252 Q253 L258 Q259	M107-M255 HydrophobicContact CE-CE 3.82Å; M107-M255 HydrophobicContact SD-CB 3.62Å; M107-M255 HydrophobicContact SD-CE 3.79Å; M107-M255 HydrophobicContact SD-CG 4.45Å; R143-M255 HydrophobicContact CG-SD 4.25Å; E251-M255 WeakPolarHBondContact O-CB 3.49Å; E251-M255 WeakPolarHBondContact O-CG 3.27Å; E251-M255 PolarHBondContact O-N 3.11Å; I252-M255 PolarHBondContact O-N 3.41Å; Q253-M255 VanDerWaalsContact C-N 3.34Å; M255-L258 PolarHBondContact O-N 2.69Å; M255-Q259 WeakPolarHBondContact O-CB 3.2Å; M255-Q259 PolarHBondContact O-N 3.46Å
256	E	92.1	Very high	93.1	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-44.7	173.8	-72.8	-173.3	121.6	0	0	111.4	I252 Q253 E254 L258 Q259 F260 F307 R383 R386	I252-E256 WeakPolarHBondContact O-CG 3.45Å; I252-E256 PolarHBondContact O-N 3.44Å; Q253-E256 PolarHBondContact O-N 2.87Å; E254-E256 PolarHBondContact O-N 3.39Å; E256-L258 VanDerWaalsContact C-N 3.33Å; E256-L258 PolarHBondContact O-N 2.73Å; E256-Q259 PolarHBondContact O-N 3.17Å; E256-F260 WeakPolarHBondContact O-CD2 3.5Å; E256-F260 PolarHBondContact O-N 2.94Å; E256-F307 HydrophobicContact CB-CZ 4.25Å; E256-R383 IonicContact OE1-CZ 3.76Å; E256-R383 IonicContact OE1-NH1 2.65Å; E256-R383 IonicContact OE1-NH2 3.39Å; E256-R383 PolarHBondContact OE1-NH2 3.44Å; E256-R383 IonicContact OE2-NH2 3.48Å; E256-R383 PolarHBondContact OE2-NH2 2.74Å; E256-R386 IonicContact OE1-CZ 3.54Å; E256-R386 IonicContact OE1-NH1 3.38Å; E256-R386 PolarHBondContact OE1-NH1 3.26Å; E256-R386 IonicContact OE1-NH2 2.77Å; E256-R386 IonicContact OE2-CZ 3.55Å; E256-R386 IonicContact OE2-NH1 3.53Å; E256-R386 PolarHBondContact OE2-NH1 2.85Å; E256-R386 IonicContact OE2-NH2 2.73Å; E256-R386 PolarHBondContact OE2-NH2 3.23Å
257	F	94.9	Very high	93.2	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-58.1	-47.9	178.1	-176.8	-90.2	0	0	0	111.1	Q253 E254 Q259 F260 S261 M267 F304 F307	Q253-F257 WeakPolarHBondContact O-CB 3.28Å; Q253-F257 PolarHBondContact O-N 2.95Å; E254-F257 PolarHBondContact O-N 3.4Å; F257-Q259 VanDerWaalsContact C-N 3.33Å; F257-Q259 PolarHBondContact O-N 3.26Å; F257-F260 PolarHBondContact O-N 3.43Å; F257-S261 WeakPolarHBondContact O-CB 3.41Å; F257-S261 PolarHBondContact O-N 2.71Å; F257-S261 PolarHBondContact O-OG 3.05Å; F257-M267 HydrophobicContact CB-CE 4.35Å; F257-M267 HydrophobicContact CD2-CB 4.39Å; F257-M267 HydrophobicContact CD2-CE 3.59Å; F257-M267 HydrophobicContact CE2-CB 3.75Å; F257-M267 HydrophobicContact CE2-CE 4.09Å; F257-M267 HydrophobicContact CG-CE 4.08Å; F257-M267 HydrophobicContact CZ-CB 4.09Å; F257-M267 WeakPolarHBondContact O-CE 3.49Å; F257-F304 HydrophobicContact CB-CD2 3.77Å; F257-F304 HydrophobicContact CB-CE2 3.98Å; F257-F304 HydrophobicContact CD1-CB 4.41Å; F257-F304 AromaticContact CD1-CD2 3.96Å; F257-F304 HydrophobicContact CD1-CD2 3.96Å; F257-F304 HydrophobicContact CD2-CB 4.45Å; F257-F304 AromaticContact CD2-CD2 3.86Å; F257-F304 HydrophobicContact CD2-CD2 3.86Å; F257-F304 HydrophobicContact CE1-CB 4.18Å; F257-F304 HydrophobicContact CE2-CB 4.21Å; F257-F304 HydrophobicContact CE2-CD2 4.44Å; F257-F304 AromaticContact CG-CD2 3.58Å; F257-F304 HydrophobicContact CG-CD2 3.58Å; F257-F304 HydrophobicContact CG-CE2 4.3Å; F257-F304 HydrophobicContact CZ-CB 4.06Å; F257-F307 HydrophobicContact CB-CD1 4.05Å; F257-F307 HydrophobicContact CB-CE1 4Å; F257-F307 HydrophobicContact CD2-CB 3.77Å; F257-F307 AromaticContact CD2-CD1 3.87Å; F257-F307 HydrophobicContact CD2-CD1 3.87Å; F257-F307 HydrophobicContact CD2-CD2 4.18Å; F257-F307 AromaticContact CD2-CG 3.68Å; F257-F307 HydrophobicContact CD2-CG 3.68Å; F257-F307 HydrophobicContact CE2-CB 4.05Å; F257-F307 HydrophobicContact CE2-CG 4.41Å; F257-F307 HydrophobicContact CG-CD1 4.42Å
258	L	94	Very high	93.1	Very high	65 Å²	65	47.2 Å²	47.2	34%	0.34	24%	0.238	S	C	.	.	H	α-helix	trans	-63.7	-37.1	178.5	-70.8	172.2	0	0	0	112.5	E254 M255 E256 S261 R262 G263	E254-L258 HydrophobicContact CG-CD1 4.28Å; E254-L258 WeakPolarHBondContact O-CB 3.48Å; E254-L258 VanDerWaalsContact O-CG 3.32Å; E254-L258 WeakPolarHBondContact O-CG 3.49Å; E254-L258 PolarHBondContact O-N 2.91Å; M255-L258 PolarHBondContact O-N 2.69Å; E256-L258 VanDerWaalsContact C-N 3.33Å; E256-L258 PolarHBondContact O-N 2.73Å; L258-S261 WeakPolarHBondContact CA-OG 3.34Å; L258-S261 PolarHBondContact O-OG 3.12Å; L258-R262 PolarHBondContact O-N 3.47Å; L258-R262 VanDerWaalsContact O-N 3.13Å; L258-G263 PolarHBondContact O-N 3.36Å
259	Q	91.8	Very high	93	Very high	73 Å²	73	47.4 Å²	47.4	34%	0.341	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-50	176.9	178.1	175.1	-29.3	0	0	111.5	M255 E256 F257 R262	M255-Q259 WeakPolarHBondContact O-CB 3.2Å; M255-Q259 PolarHBondContact O-N 3.46Å; E256-Q259 PolarHBondContact O-N 3.17Å; F257-Q259 VanDerWaalsContact C-N 3.33Å; F257-Q259 PolarHBondContact O-N 3.26Å; Q259-R262 PolarHBondContact O-N 2.88Å
260	F	92.4	Very high	92.8	Very high	17 Å²	17	48.9 Å²	48.9	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-80.6	-31.5	-175.8	-76.7	-90.2	0	0	0	113.1	E256 F257 R262 M267 D271 E274 W275 H278	E256-F260 WeakPolarHBondContact O-CD2 3.5Å; E256-F260 PolarHBondContact O-N 2.94Å; F257-F260 PolarHBondContact O-N 3.43Å; F260-R262 PolarHBondContact O-N 2.88Å; F260-M267 HydrophobicContact CB-CE 3.55Å; F260-M267 HydrophobicContact CB-SD 4Å; F260-D271 WeakPolarHBondContact O-CB 3.44Å; F260-E274 HydrophobicContact CD1-CB 4.36Å; F260-E274 HydrophobicContact CD1-CG 4.46Å; F260-E274 HydrophobicContact CE1-CB 4.32Å; F260-E274 HydrophobicContact CE1-CG 4.09Å; F260-W275 HydrophobicContact CB-CB 4.42Å; F260-W275 HydrophobicContact CD1-CB 3.68Å; F260-W275 HydrophobicContact CD2-CB 4.06Å; F260-W275 AromaticContact CD2-CD1 3.53Å; F260-W275 HydrophobicContact CD2-CG 4.19Å; F260-W275 VanDerWaalsContact CE1-CA 3.45Å; F260-W275 HydrophobicContact CE1-CB 3.85Å; F260-W275 HydrophobicContact CE2-CB 4.23Å; F260-W275 AromaticContact CE2-CD1 3.54Å; F260-W275 HydrophobicContact CE2-CG 4.29Å; F260-W275 HydrophobicContact CG-CB 3.78Å; F260-W275 HydrophobicContact CG-CG 4.35Å; F260-W275 HydrophobicContact CZ-CB 4.12Å; F260-H278 HydrophobicContact CZ-CB 4.17Å; F260-H278 AromaticContact CZ-CG 3.95Å
261	S	93.9	Very high	92.8	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.028	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-8	170.1	64	0	0	0	0	113.4	F257 L258 G263 M264	F257-S261 WeakPolarHBondContact O-CB 3.41Å; F257-S261 PolarHBondContact O-N 2.71Å; F257-S261 PolarHBondContact O-OG 3.05Å; L258-S261 WeakPolarHBondContact CA-OG 3.34Å; L258-S261 PolarHBondContact O-OG 3.12Å; S261-G263 PolarHBondContact O-N 3.16Å; S261-M264 WeakPolarHBondContact CB-O 3.44Å; S261-M264 WeakPolarHBondContact O-CB 3.39Å; S261-M264 VanDerWaalsContact O-CG 3.26Å; S261-M264 WeakPolarHBondContact O-CG 3.45Å; S261-M264 PolarHBondContact O-N 3.12Å; S261-M264 PolarHBondContact OG-O 3.11Å
262	R	92.5	Very high	92.7	Very high	176 Å²	176	48.1 Å²	48.1	66%	0.664	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	34.7	-175.7	-50	176.7	-174.5	-170.8	-2.5	112.3	L258 Q259 F260 D271	L258-R262 PolarHBondContact O-N 3.47Å; L258-R262 VanDerWaalsContact O-N 3.13Å; Q259-R262 PolarHBondContact O-N 2.88Å; F260-R262 PolarHBondContact O-N 2.88Å; R262-D271 IonicContact NH2-OD1 3.58Å
263	G	91.2	Very high	92.5	Very high	51 Å²	51	48 Å²	48	53%	0.526	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	12.5	-179.9	0	0	0	0	0	115.2	L258 S261	L258-G263 PolarHBondContact O-N 3.36Å; S261-G263 PolarHBondContact O-N 3.16Å
264	M	92.7	Very high	92.3	Very high	123 Å²	123	51 Å²	51	61%	0.606	25%	0.252	S	S	*	.			trans	-86	155.5	175.3	-59.7	-65.9	-63.2	0	0	111.3	S261 T266	S261-M264 WeakPolarHBondContact CB-O 3.44Å; S261-M264 WeakPolarHBondContact O-CB 3.39Å; S261-M264 VanDerWaalsContact O-CG 3.26Å; S261-M264 WeakPolarHBondContact O-CG 3.45Å; S261-M264 PolarHBondContact O-N 3.12Å; S261-M264 PolarHBondContact OG-O 3.11Å; M264-T266 PolarHBondContact O-N 2.96Å
265	D	92.9	Very high	92.2	Very high	151 Å²	151	48.4 Å²	48.4	81%	0.807	24%	0.24	S	C	*	.	S	Bend	trans	-67.3	-20.9	178.7	-61.9	-29.3	0	0	0	113.3
266	T	94.9	Very high	92	Very high	55 Å²	55	46.6 Å²	46.6	34%	0.337	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.8	175.1	66.7	0	0	0	0	111.2	M264 S301 T303	M264-T266 PolarHBondContact O-N 2.96Å; T266-S301 WeakPolarHBondContact CB-OG 3.35Å; T266-S301 WeakPolarHBondContact OG1-CB 3.44Å; T266-S301 PolarHBondContact OG1-OG 3.12Å; T266-S301 VanDerWaalsContact OG1-OG 3.13Å; T266-T303 HydrophobicContact CG2-CG2 4.26Å
267	M	95	Very high	91.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.4	177.2	-175.5	-178.1	-62.1	0	0	109.4	F257 F260 D271 F272 S301 I302 F307	F257-M267 HydrophobicContact CB-CE 4.35Å; F257-M267 HydrophobicContact CD2-CB 4.39Å; F257-M267 HydrophobicContact CD2-CE 3.59Å; F257-M267 HydrophobicContact CE2-CB 3.75Å; F257-M267 HydrophobicContact CE2-CE 4.09Å; F257-M267 HydrophobicContact CG-CE 4.08Å; F257-M267 HydrophobicContact CZ-CB 4.09Å; F257-M267 WeakPolarHBondContact O-CE 3.49Å; F260-M267 HydrophobicContact CB-CE 3.55Å; F260-M267 HydrophobicContact CB-SD 4Å; M267-D271 HydrophobicContact CG-CB 3.71Å; M267-D271 HydrophobicContact SD-CB 4.42Å; M267-F272 HydrophobicContact CG-CB 4.45Å; M267-F272 VanDerWaalsContact SD-CA 3.55Å; M267-F272 HydrophobicContact SD-CB 3.83Å; M267-F272 HydrophobicContact SD-CD2 4.3Å; M267-S301 CarbonylContact O-C 3.46Å; M267-S301 VanDerWaalsContact O-CA 3.23Å; M267-S301 WeakPolarHBondContact O-CA 3.28Å; M267-S301 VanDerWaalsContact O-CB 3.31Å; M267-S301 WeakPolarHBondContact O-CB 3.34Å; M267-I302 PolarHBondContact N-O 2.76Å; M267-I302 PolarHBondContact O-N 2.97Å; M267-F307 HydrophobicContact CE-CD2 4.23Å; M267-F307 HydrophobicContact CE-CE2 4.16Å
268	R	92.7	Very high	91.3	Very high	114 Å²	114	49.1 Å²	49.1	43%	0.43	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	152.5	175.2	-54.7	175.5	-67.8	162.1	9.6	109.7	E270 D271 F272	R268-E270 VanDerWaalsContact CB-OE2 3.28Å; R268-E270 WeakPolarHBondContact CB-OE2 3.25Å; R268-E270 PolarHBondContact O-N 2.86Å; R268-D271 WeakPolarHBondContact CB-OD2 3.38Å; R268-D271 IonicContact CZ-OD1 3.16Å; R268-D271 IonicContact CZ-OD2 2.68Å; R268-D271 IonicContact NE-OD1 2.93Å; R268-D271 IonicContact NE-OD2 2.76Å; R268-D271 PolarHBondContact NE-OD2 2.94Å; R268-D271 IonicContact NH2-OD1 2.73Å; R268-D271 PolarHBondContact NH2-OD1 3.38Å; R268-D271 IonicContact NH2-OD2 3.39Å; R268-D271 PolarHBondContact NH2-OD2 3.07Å; R268-D271 PolarHBondContact O-N 3.11Å; R268-F272 PolarHBondContact O-N 3.28Å
269	R	91	Very high	90.5	Very high	6 Å²	6	47.1 Å²	47.1	2%	0.023	23%	0.231	C	C	.	.	H	α-helix	trans	-59.7	-31	179.6	-73.2	179.8	168.4	-154.7	1.7	112.5	F272 A273 I296 Q300 I302 N354 D357 T358	R269-F272 PolarHBondContact O-N 3.18Å; R269-A273 PolarHBondContact O-N 3.41Å; R269-I296 HydrophobicContact CB-CD1 4.33Å; R269-I296 HydrophobicContact CB-CG2 3.74Å; R269-I296 HydrophobicContact CG-CG2 4.43Å; R269-Q300 HydrophobicContact CG-CB 4.45Å; R269-Q300 PolarHBondContact N-O 3.23Å; R269-Q300 VanDerWaalsContact NH1-OE1 3.16Å; R269-I302 HydrophobicContact CG-CD1 4.24Å; R269-I302 HydrophobicContact CG-CG1 4.3Å; R269-N354 PolarHBondContact NE-OD1 3.3Å; R269-N354 PolarHBondContact NH2-O 3.38Å; R269-N354 PolarHBondContact NH2-OD1 3.38Å; R269-D357 IonicContact CZ-OD2 2.62Å; R269-D357 IonicContact NH1-OD2 2.69Å; R269-D357 PolarHBondContact NH1-OD2 2.94Å; R269-D357 IonicContact NH2-OD2 3.18Å; R269-D357 PolarHBondContact NH2-OD2 3.02Å; R269-T358 HydrophobicContact CB-CG2 4.2Å; R269-T358 VanDerWaalsContact CD-OG1 3.25Å; R269-T358 WeakPolarHBondContact CD-OG1 3.49Å; R269-T358 HydrophobicContact CG-CG2 4.38Å; R269-T358 WeakPolarHBondContact CG-OG1 3.34Å; R269-T358 PolarHBondContact NE-OG1 3.29Å; R269-T358 PolarHBondContact NH1-OG1 3.05Å
270	E	88.8	Confident	89.8	Confident	51 Å²	51	44.4 Å²	44.4	24%	0.238	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-42	174.9	-57.3	93.6	149.2	0	0	111.8	R268 F272 A273 E274 M292	R268-E270 VanDerWaalsContact CB-OE2 3.28Å; R268-E270 WeakPolarHBondContact CB-OE2 3.25Å; R268-E270 PolarHBondContact O-N 2.86Å; E270-F272 VanDerWaalsContact C-N 3.32Å; E270-A273 PolarHBondContact O-N 3.07Å; E270-E274 PolarHBondContact O-N 3.04Å; E270-M292 HydrophobicContact CB-CE 3.59Å; E270-M292 HydrophobicContact CB-SD 3.87Å; E270-M292 HydrophobicContact CG-CE 3.78Å; E270-M292 HydrophobicContact CG-SD 3.37Å; E270-M292 WeakPolarHBondContact CG-SD 3.5Å
271	D	91.5	Very high	88.7	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.027	24%	0.237	C	C	.	.	H	α-helix	trans	-70	-32.4	177	-57.1	-45	0	0	0	110.7	F260 R262 M267 R268 E274 W275	F260-D271 WeakPolarHBondContact O-CB 3.44Å; R262-D271 IonicContact NH2-OD1 3.58Å; M267-D271 HydrophobicContact CG-CB 3.71Å; M267-D271 HydrophobicContact SD-CB 4.42Å; R268-D271 WeakPolarHBondContact CB-OD2 3.38Å; R268-D271 IonicContact CZ-OD1 3.16Å; R268-D271 IonicContact CZ-OD2 2.68Å; R268-D271 IonicContact NE-OD1 2.93Å; R268-D271 IonicContact NE-OD2 2.76Å; R268-D271 PolarHBondContact NE-OD2 2.94Å; R268-D271 IonicContact NH2-OD1 2.73Å; R268-D271 PolarHBondContact NH2-OD1 3.38Å; R268-D271 IonicContact NH2-OD2 3.39Å; R268-D271 PolarHBondContact NH2-OD2 3.07Å; R268-D271 PolarHBondContact O-N 3.11Å; D271-E274 WeakPolarHBondContact O-CB 3.23Å; D271-E274 PolarHBondContact O-N 2.77Å; D271-W275 WeakPolarHBondContact O-CB 3.41Å; D271-W275 PolarHBondContact O-N 3.42Å
272	F	92.3	Very high	87.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67	-40.6	172.3	178	-102.2	0	0	0	112.4	M267 R268 R269 E270 W275 L276 I302 F307 F310 V355 T358 V359	M267-F272 HydrophobicContact CG-CB 4.45Å; M267-F272 VanDerWaalsContact SD-CA 3.55Å; M267-F272 HydrophobicContact SD-CB 3.83Å; M267-F272 HydrophobicContact SD-CD2 4.3Å; R268-F272 PolarHBondContact O-N 3.28Å; R269-F272 PolarHBondContact O-N 3.18Å; E270-F272 VanDerWaalsContact C-N 3.32Å; F272-W275 AromaticContact CD2-CE3 3.89Å; F272-W275 HydrophobicContact CD2-CE3 3.89Å; F272-W275 HydrophobicContact CD2-CZ3 4.19Å; F272-W275 AromaticContact CE2-CE3 3.74Å; F272-W275 HydrophobicContact CE2-CE3 3.74Å; F272-W275 AromaticContact CE2-CZ3 3.56Å; F272-W275 HydrophobicContact CE2-CZ3 3.56Å; F272-W275 HydrophobicContact CZ-CE3 4.42Å; F272-W275 HydrophobicContact CZ-CZ3 4.08Å; F272-W275 WeakPolarHBondContact O-CB 3.36Å; F272-W275 PolarHBondContact O-N 3.12Å; F272-L276 WeakPolarHBondContact O-CB 3.42Å; F272-L276 PolarHBondContact O-N 3.27Å; F272-I302 HydrophobicContact CB-CD1 3.61Å; F272-I302 HydrophobicContact CD1-CD1 3.53Å; F272-I302 HydrophobicContact CD2-CD1 3.91Å; F272-I302 HydrophobicContact CE1-CD1 4.14Å; F272-I302 HydrophobicContact CE2-CD1 4.47Å; F272-I302 HydrophobicContact CG-CD1 3.39Å; F272-F307 HydrophobicContact CD2-CD2 4.07Å; F272-F307 HydrophobicContact CE2-CD2 4.09Å; F272-F310 AromaticContact CE2-CD1 4Å; F272-F310 HydrophobicContact CE2-CD1 4Å; F272-F310 HydrophobicContact CE2-CE1 4.48Å; F272-F310 HydrophobicContact CE2-CG 4.29Å; F272-F310 HydrophobicContact CZ-CB 4.49Å; F272-F310 AromaticContact CZ-CD1 3.69Å; F272-F310 HydrophobicContact CZ-CD1 3.69Å; F272-F310 HydrophobicContact CZ-CD2 4.2Å; F272-F310 AromaticContact CZ-CE1 3.88Å; F272-F310 HydrophobicContact CZ-CE1 3.88Å; F272-F310 HydrophobicContact CZ-CE2 4.37Å; F272-F310 AromaticContact CZ-CG 3.85Å; F272-F310 HydrophobicContact CZ-CG 3.85Å; F272-F310 HydrophobicContact CZ-CZ 4.21Å; F272-V355 HydrophobicContact CE1-CG1 4.46Å; F272-V355 HydrophobicContact CZ-CG1 4.18Å; F272-T358 HydrophobicContact CD1-CG2 3.81Å; F272-T358 HydrophobicContact CE1-CG2 4.3Å; F272-V359 HydrophobicContact CE1-CG2 4.32Å
273	A	89.2	Confident	85.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.5	-42.1	173.1	0	0	0	0	0	111.3	R269 E270 W275 L276 L277 M292 L362	R269-A273 PolarHBondContact O-N 3.41Å; E270-A273 PolarHBondContact O-N 3.07Å; A273-W275 VanDerWaalsContact C-N 3.32Å; A273-W275 PolarHBondContact O-N 3.47Å; A273-L276 PolarHBondContact O-N 2.88Å; A273-L277 WeakPolarHBondContact O-CG 3.4Å; A273-L277 PolarHBondContact O-N 3.47Å; A273-M292 HydrophobicContact CB-CG 4.21Å; A273-L362 HydrophobicContact CB-CD1 4.02Å; A273-L362 HydrophobicContact CB-CD2 4.04Å
274	E	88.4	Confident	84.4	Confident	79 Å²	79	56.9 Å²	56.9	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-56.1	-47.5	173	-165.6	172.8	167.2	0	0	111.3	F260 E270 D271 L276 L277 H278 W289	F260-E274 HydrophobicContact CD1-CB 4.36Å; F260-E274 HydrophobicContact CD1-CG 4.46Å; F260-E274 HydrophobicContact CE1-CB 4.32Å; F260-E274 HydrophobicContact CE1-CG 4.09Å; E270-E274 PolarHBondContact O-N 3.04Å; D271-E274 WeakPolarHBondContact O-CB 3.23Å; D271-E274 PolarHBondContact O-N 2.77Å; E274-L276 VanDerWaalsContact C-N 3.31Å; E274-L276 PolarHBondContact O-N 2.93Å; E274-L277 PolarHBondContact O-N 3.21Å; E274-H278 WeakPolarHBondContact O-CB 3.45Å; E274-H278 PolarHBondContact O-N 3.49Å; E274-W289 HydrophobicContact CB-CH2 3.59Å; E274-W289 HydrophobicContact CB-CZ2 4.34Å; E274-W289 HydrophobicContact CG-CH2 3.7Å; E274-W289 HydrophobicContact CG-CZ2 4.14Å
275	W	90.4	Very high	83.4	Confident	1 Å²	1	51.5 Å²	51.5	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-40.6	176.8	169.7	84.7	0	0	0	112.9	F260 D271 F272 A273 H278 F307 F310 R383	F260-W275 HydrophobicContact CB-CB 4.42Å; F260-W275 HydrophobicContact CD1-CB 3.68Å; F260-W275 HydrophobicContact CD2-CB 4.06Å; F260-W275 AromaticContact CD2-CD1 3.53Å; F260-W275 HydrophobicContact CD2-CG 4.19Å; F260-W275 VanDerWaalsContact CE1-CA 3.45Å; F260-W275 HydrophobicContact CE1-CB 3.85Å; F260-W275 HydrophobicContact CE2-CB 4.23Å; F260-W275 AromaticContact CE2-CD1 3.54Å; F260-W275 HydrophobicContact CE2-CG 4.29Å; F260-W275 HydrophobicContact CG-CB 3.78Å; F260-W275 HydrophobicContact CG-CG 4.35Å; F260-W275 HydrophobicContact CZ-CB 4.12Å; D271-W275 WeakPolarHBondContact O-CB 3.41Å; D271-W275 PolarHBondContact O-N 3.42Å; F272-W275 AromaticContact CD2-CE3 3.89Å; F272-W275 HydrophobicContact CD2-CE3 3.89Å; F272-W275 HydrophobicContact CD2-CZ3 4.19Å; F272-W275 AromaticContact CE2-CE3 3.74Å; F272-W275 HydrophobicContact CE2-CE3 3.74Å; F272-W275 AromaticContact CE2-CZ3 3.56Å; F272-W275 HydrophobicContact CE2-CZ3 3.56Å; F272-W275 HydrophobicContact CZ-CE3 4.42Å; F272-W275 HydrophobicContact CZ-CZ3 4.08Å; F272-W275 WeakPolarHBondContact O-CB 3.36Å; F272-W275 PolarHBondContact O-N 3.12Å; A273-W275 VanDerWaalsContact C-N 3.32Å; A273-W275 PolarHBondContact O-N 3.47Å; W275-H278 WeakPolarHBondContact O-CB 3.38Å; W275-H278 PolarHBondContact O-N 3.48Å; W275-F307 AromaticContact CD2-CE2 3.63Å; W275-F307 HydrophobicContact CD2-CE2 3.63Å; W275-F307 HydrophobicContact CD2-CZ 4.23Å; W275-F307 AromaticContact CE2-CE2 3.34Å; W275-F307 AromaticContact CE2-CZ 3.48Å; W275-F307 VanDerWaalsContact CE2-CZ 3.48Å; W275-F307 AromaticContact CE3-CE2 3.97Å; W275-F307 HydrophobicContact CE3-CE2 3.97Å; W275-F307 HydrophobicContact CG-CE2 4.2Å; W275-F307 AromaticContact CH2-CE2 3.86Å; W275-F307 HydrophobicContact CH2-CE2 3.86Å; W275-F307 HydrophobicContact CH2-CZ 4.24Å; W275-F307 AromaticContact CZ2-CE2 3.48Å; W275-F307 HydrophobicContact CZ2-CE2 3.48Å; W275-F307 VanDerWaalsContact CZ2-CE2 3.48Å; W275-F307 AromaticContact CZ2-CZ 3.51Å; W275-F307 HydrophobicContact CZ2-CZ 3.51Å; W275-F307 HydrophobicContact CZ3-CE2 4.06Å; W275-F307 AromaticContact NE1-CE2 3.73Å; W275-F307 AromaticContact NE1-CZ 3.56Å; W275-F310 AromaticContact CH2-CD1 3.85Å; W275-F310 HydrophobicContact CH2-CD1 3.85Å; W275-F310 HydrophobicContact CH2-CE1 4.14Å; W275-F310 AromaticContact CZ3-CD1 3.68Å; W275-F310 HydrophobicContact CZ3-CD1 3.68Å; W275-F310 AromaticContact CZ3-CE1 3.75Å; W275-F310 HydrophobicContact CZ3-CE1 3.75Å; W275-R383 VanDerWaalsContact CZ2-CZ 3.47Å; W275-R383 PolarHBondContact O-NH1 3.34Å
276	L	89.2	Confident	82.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69.5	-38.4	-177.7	-160.8	63.1	0	0	0	112.2	F272 A273 E274 F310 L362 F363 M380 R383	F272-L276 WeakPolarHBondContact O-CB 3.42Å; F272-L276 PolarHBondContact O-N 3.27Å; A273-L276 PolarHBondContact O-N 2.88Å; E274-L276 VanDerWaalsContact C-N 3.31Å; E274-L276 PolarHBondContact O-N 2.93Å; L276-F310 HydrophobicContact CD1-CE1 3.59Å; L276-F310 HydrophobicContact CD1-CZ 4.03Å; L276-F310 HydrophobicContact CD2-CZ 4.44Å; L276-L362 HydrophobicContact CD2-CD2 3.93Å; L276-F363 HydrophobicContact CD2-CE2 3.43Å; L276-F363 VanDerWaalsContact CD2-CE2 3.43Å; L276-F363 HydrophobicContact CD2-CZ 3.52Å; L276-F363 HydrophobicContact CG-CZ 4.18Å; L276-M380 HydrophobicContact CD1-CE 4.06Å; L276-M380 HydrophobicContact CD1-SD 3.75Å; L276-M380 HydrophobicContact CD2-SD 4.29Å; L276-M380 HydrophobicContact CG-SD 4.25Å; L276-R383 HydrophobicContact CD1-CG 4.18Å
277	L	86.8	Confident	81.7	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-88.4	-2	179.7	-60.5	175.7	0	0	0	113.3	A273 E274 Y279 T280 Y288 L362 F363 V379	A273-L277 WeakPolarHBondContact O-CG 3.4Å; A273-L277 PolarHBondContact O-N 3.47Å; E274-L277 PolarHBondContact O-N 3.21Å; L277-Y279 PolarHBondContact O-N 3.03Å; L277-Y279 VanDerWaalsContact O-N 3.09Å; L277-T280 WeakPolarHBondContact CA-OG1 3.26Å; L277-T280 HydrophobicContact CD2-CG2 4.47Å; L277-T280 PolarHBondContact O-N 3.18Å; L277-T280 VanDerWaalsContact O-N 3.09Å; L277-T280 PolarHBondContact O-OG1 3.29Å; L277-Y288 HydrophobicContact CD1-CD2 4.41Å; L277-Y288 HydrophobicContact CD1-CG 4.34Å; L277-Y288 HydrophobicContact CD2-CD2 3.89Å; L277-Y288 HydrophobicContact CD2-CE2 4.45Å; L277-Y288 HydrophobicContact CD2-CG 4.33Å; L277-L362 HydrophobicContact CD1-CD1 4.3Å; L277-F363 HydrophobicContact CD2-CE1 4.34Å; L277-V379 HydrophobicContact CD2-CG1 4.14Å
278	H	84.7	Confident	80.9	Confident	56 Å²	56	53 Å²	53	26%	0.259	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.8	-173.2	-171.6	57.9	0	0	0	113.8	F260 E274 W275	F260-H278 HydrophobicContact CZ-CB 4.17Å; F260-H278 AromaticContact CZ-CG 3.95Å; E274-H278 WeakPolarHBondContact O-CB 3.45Å; E274-H278 PolarHBondContact O-N 3.49Å; W275-H278 WeakPolarHBondContact O-CB 3.38Å; W275-H278 PolarHBondContact O-N 3.48Å
279	Y	77.4	Confident	80.2	Confident	22 Å²	22	50.4 Å²	50.4	9%	0.086	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	11.8	-179	-57.4	-61.1	0	0	0	113.7	V106 L277 R386	V106-Y279 PolarHBondContact O-OH 3.09Å; V106-Y279 VanDerWaalsContact O-OH 3.13Å; L277-Y279 PolarHBondContact O-N 3.03Å; L277-Y279 VanDerWaalsContact O-N 3.09Å; Y279-R386 HydrophobicContact CD2-CB 4.31Å; Y279-R386 HydrophobicContact CD2-CG 4.49Å; Y279-R386 HydrophobicContact CE2-CB 3.83Å; Y279-R386 HydrophobicContact CE2-CG 3.93Å
280	T	77.4	Confident	79.7	Confident	16 Å²	16	54.8 Å²	54.8	10%	0.098	26%	0.262	C	S	.	.	S	Bend	trans	-94.7	162.1	176.8	60.5	0	0	0	0	111.3	L277 E282 N285 V379	L277-T280 WeakPolarHBondContact CA-OG1 3.26Å; L277-T280 HydrophobicContact CD2-CG2 4.47Å; L277-T280 PolarHBondContact O-N 3.18Å; L277-T280 VanDerWaalsContact O-N 3.09Å; L277-T280 PolarHBondContact O-OG1 3.29Å; T280-E282 PolarHBondContact O-N 3.16Å; T280-N285 VanDerWaalsContact OG1-CG 3.25Å; T280-N285 PolarHBondContact OG1-ND2 2.97Å; T280-N285 PolarHBondContact OG1-OD1 3.35Å; T280-V379 HydrophobicContact CG2-CB 3.99Å; T280-V379 HydrophobicContact CG2-CG1 3.59Å; T280-V379 HydrophobicContact CG2-CG2 3.96Å
281	N	69.4	Low	79	Confident	84 Å²	84	53.4 Å²	53.4	45%	0.449	26%	0.256	S	S	.	.			trans	-64.3	125	179.3	-174	18.9	0	0	0	111.4	E283 D284 N285	N281-E283 VanDerWaalsContact C-N 3.26Å; N281-E283 PolarHBondContact O-N 3.3Å; N281-D284 PolarHBondContact ND2-OD2 2.86Å; N281-D284 PolarHBondContact O-N 2.82Å; N281-N285 PolarHBondContact O-N 3.5Å; N281-N285 PolarHBondContact O-ND2 3.3Å; N281-N285 PolarHBondContact O-OD1 2.99Å
282	E	61.7	Low	78.3	Confident	157 Å²	157	53.7 Å²	53.7	73%	0.734	26%	0.257	S	S	*	.	H	α-helix	trans	-59.9	-33.2	-177.2	-68	-173.8	162.7	0	0	113.2	T280 D284 N285	T280-E282 PolarHBondContact O-N 3.16Å; E282-D284 VanDerWaalsContact C-N 3.27Å; E282-D284 PolarHBondContact O-N 2.95Å; E282-N285 WeakPolarHBondContact O-CB 3.45Å; E282-N285 PolarHBondContact O-N 3.34Å
283	E	62.1	Low	77.6	Confident	166 Å²	166	62.2 Å²	62.2	78%	0.776	29%	0.289	S	S	*	.	H	α-helix	trans	-64	-31.9	-178.7	-63.3	179.9	169.1	0	0	112.7	N281	N281-E283 VanDerWaalsContact C-N 3.26Å; N281-E283 PolarHBondContact O-N 3.3Å
284	D	64.4	Low	77.1	Confident	104 Å²	104	69.1 Å²	69.1	56%	0.556	32%	0.319	S	S	*	.	H	α-helix	trans	-86.6	-10.4	177.6	-62.2	-50.7	0	0	0	111.8	N281 E282	N281-D284 PolarHBondContact ND2-OD2 2.86Å; N281-D284 PolarHBondContact O-N 2.82Å; E282-D284 VanDerWaalsContact C-N 3.27Å; E282-D284 PolarHBondContact O-N 2.95Å
285	N	71.4	Confident	76.6	Confident	10 Å²	10	68.5 Å²	68.5	5%	0.053	32%	0.316	C	S	.	.	H	α-helix	trans	-85.9	-20.6	-170	-71.9	-16.8	0	0	0	114.6	T280 N281 E282 I287 Y288 W289	T280-N285 VanDerWaalsContact OG1-CG 3.25Å; T280-N285 PolarHBondContact OG1-ND2 2.97Å; T280-N285 PolarHBondContact OG1-OD1 3.35Å; N281-N285 PolarHBondContact O-N 3.5Å; N281-N285 PolarHBondContact O-ND2 3.3Å; N281-N285 PolarHBondContact O-OD1 2.99Å; E282-N285 WeakPolarHBondContact O-CB 3.45Å; E282-N285 PolarHBondContact O-N 3.34Å; N285-I287 PolarHBondContact O-N 2.83Å; N285-Y288 PolarHBondContact O-N 2.62Å; N285-Y288 VanDerWaalsContact O-N 3.12Å; N285-W289 PolarHBondContact O-N 3.12Å
286	E	74.6	Confident	75.9	Confident	128 Å²	128	69.2 Å²	69.2	60%	0.598	32%	0.319	S	S	*	.	H	α-helix	trans	-57.8	-37.4	-177.6	-73.9	-62.5	149.3	0	0	112.5	W289 E290	E286-W289 PolarHBondContact O-N 3.45Å; E286-E290 PolarHBondContact O-N 2.75Å
287	I	77.6	Confident	75.2	Confident	90 Å²	90	71.9 Å²	71.9	46%	0.462	34%	0.337	S	S	.	.	H	α-helix	trans	-70.6	-39.8	179.6	-47.8	171.2	0	0	0	110.8	N285 W289 E290 N291 M365	N285-I287 PolarHBondContact O-N 2.83Å; I287-W289 VanDerWaalsContact C-N 3.31Å; I287-W289 PolarHBondContact O-N 3.23Å; I287-E290 PolarHBondContact O-N 3.28Å; I287-N291 WeakPolarHBondContact O-CB 3.45Å; I287-N291 PolarHBondContact O-N 3.34Å; I287-M365 HydrophobicContact CB-CE 3.79Å; I287-M365 HydrophobicContact CD1-CE 4.1Å; I287-M365 HydrophobicContact CG2-CE 3.2Å; I287-M365 HydrophobicContact CG2-SD 4.14Å
288	Y	78.1	Confident	74.7	Confident	19 Å²	19	76 Å²	76	8%	0.075	37%	0.372	C	S	.	.	H	α-helix	trans	-62.2	-40.1	174.3	-63.4	-53.5	0	0	0	111.5	L277 N285 N291 M292 L362 F363 M365 V379	L277-Y288 HydrophobicContact CD1-CD2 4.41Å; L277-Y288 HydrophobicContact CD1-CG 4.34Å; L277-Y288 HydrophobicContact CD2-CD2 3.89Å; L277-Y288 HydrophobicContact CD2-CE2 4.45Å; L277-Y288 HydrophobicContact CD2-CG 4.33Å; N285-Y288 PolarHBondContact O-N 2.62Å; N285-Y288 VanDerWaalsContact O-N 3.12Å; Y288-N291 PolarHBondContact O-N 3.04Å; Y288-M292 VanDerWaalsContact O-CB 3.26Å; Y288-M292 WeakPolarHBondContact O-CB 3.41Å; Y288-M292 PolarHBondContact O-N 2.87Å; Y288-L362 WeakPolarHBondContact CD1-O 3.32Å; Y288-F363 HydrophobicContact CD1-CD1 4.29Å; Y288-F363 AromaticContact CE1-CD1 3.68Å; Y288-F363 HydrophobicContact CE1-CD1 3.68Å; Y288-F363 HydrophobicContact CE1-CE1 4.24Å; Y288-M365 HydrophobicContact CD1-SD 3.91Å; Y288-M365 HydrophobicContact CE1-CG 4.44Å; Y288-M365 HydrophobicContact CE1-SD 3.67Å; Y288-V379 HydrophobicContact CE2-CG2 4.3Å
289	W	78.1	Confident	74.3	Confident	59 Å²	59	77.3 Å²	77.3	22%	0.223	40%	0.4	C	S	.	.	H	α-helix	trans	-65.8	-39.4	175.9	-74	117.8	0	0	0	113.1	E274 N285 E286 I287 M292 R293	E274-W289 HydrophobicContact CB-CH2 3.59Å; E274-W289 HydrophobicContact CB-CZ2 4.34Å; E274-W289 HydrophobicContact CG-CH2 3.7Å; E274-W289 HydrophobicContact CG-CZ2 4.14Å; N285-W289 PolarHBondContact O-N 3.12Å; E286-W289 PolarHBondContact O-N 3.45Å; I287-W289 VanDerWaalsContact C-N 3.31Å; I287-W289 PolarHBondContact O-N 3.23Å; W289-M292 HydrophobicContact CE3-CE 3.45Å; W289-M292 VanDerWaalsContact CE3-CE 3.45Å; W289-M292 HydrophobicContact CZ3-CE 3.26Å; W289-M292 PolarHBondContact O-N 3.35Å; W289-R293 WeakPolarHBondContact O-CG 3.14Å; W289-R293 PolarHBondContact O-N 3.41Å; W289-R293 VanDerWaalsContact O-N 3.12Å
290	E	79.3	Confident	74.7	Confident	99 Å²	99	80.2 Å²	80.2	46%	0.463	41%	0.414	S	S	.	.	H	α-helix	trans	-67	-44.2	176.5	-170.8	173.8	-171.1	0	0	111.5	E286 I287 M292 R293 K294	E286-E290 PolarHBondContact O-N 2.75Å; I287-E290 PolarHBondContact O-N 3.28Å; E290-M292 VanDerWaalsContact C-N 3.32Å; E290-M292 PolarHBondContact O-N 3.09Å; E290-R293 PolarHBondContact O-N 3.31Å; E290-K294 VanDerWaalsContact CD-NZ 3.32Å; E290-K294 HydrophobicContact CG-CD 4.22Å; E290-K294 WeakPolarHBondContact O-CG 3.44Å; E290-K294 PolarHBondContact O-N 3.06Å; E290-K294 VanDerWaalsContact OE1-CE 3.28Å; E290-K294 WeakPolarHBondContact OE1-CE 3.29Å; E290-K294 IonicContact OE1-NZ 2.83Å; E290-K294 PolarHBondContact OE1-NZ 2.93Å
291	N	75.5	Confident	75.4	Confident	21 Å²	21	81.4 Å²	81.4	11%	0.112	42%	0.423	C	S	.	.	H	α-helix	trans	-60.5	-43	174.4	-77.5	-19.5	0	0	0	111.5	I287 Y288 R293 K294 K295 M365	I287-N291 WeakPolarHBondContact O-CB 3.45Å; I287-N291 PolarHBondContact O-N 3.34Å; Y288-N291 PolarHBondContact O-N 3.04Å; N291-R293 PolarHBondContact O-N 3.29Å; N291-K294 PolarHBondContact O-N 3.22Å; N291-K295 HydrophobicContact CB-CD 4.5Å; N291-K295 VanDerWaalsContact O-CB 3.27Å; N291-K295 WeakPolarHBondContact O-CB 3.38Å; N291-K295 WeakPolarHBondContact O-CG 3.11Å; N291-K295 PolarHBondContact O-N 3.26Å; N291-M365 PolarHBondContact ND2-SD 3.48Å; N291-M365 VanDerWaalsContact ND2-SD 3.44Å
292	M	76.2	Confident	76.7	Confident	12 Å²	12	77.4 Å²	77.4	6%	0.059	40%	0.402	C	S	.	.	H	α-helix	trans	-60	-49.2	178.7	-174.8	-86.1	-89.4	0	0	111.8	E270 A273 Y288 W289 E290 K294 I296 L362	E270-M292 HydrophobicContact CB-CE 3.59Å; E270-M292 HydrophobicContact CB-SD 3.87Å; E270-M292 HydrophobicContact CG-CE 3.78Å; E270-M292 HydrophobicContact CG-SD 3.37Å; E270-M292 WeakPolarHBondContact CG-SD 3.5Å; A273-M292 HydrophobicContact CB-CG 4.21Å; Y288-M292 VanDerWaalsContact O-CB 3.26Å; Y288-M292 WeakPolarHBondContact O-CB 3.41Å; Y288-M292 PolarHBondContact O-N 2.87Å; W289-M292 HydrophobicContact CE3-CE 3.45Å; W289-M292 VanDerWaalsContact CE3-CE 3.45Å; W289-M292 HydrophobicContact CZ3-CE 3.26Å; W289-M292 PolarHBondContact O-N 3.35Å; E290-M292 VanDerWaalsContact C-N 3.32Å; E290-M292 PolarHBondContact O-N 3.09Å; M292-K294 VanDerWaalsContact C-N 3.26Å; M292-K294 PolarHBondContact O-N 2.84Å; M292-I296 HydrophobicContact CG-CD1 3.66Å; M292-I296 HydrophobicContact CG-CG1 4.11Å; M292-I296 WeakPolarHBondContact O-CB 3.19Å; M292-I296 PolarHBondContact O-N 3.33Å; M292-I296 VanDerWaalsContact O-N 3.11Å; M292-L362 HydrophobicContact CB-CD1 4.27Å
293	R	77.4	Confident	78.3	Confident	178 Å²	178	72.7 Å²	72.7	67%	0.672	38%	0.384	S	S	*	.	H	α-helix	trans	-63.8	-29	179.7	-69.5	-178.9	-146.1	162.7	11.7	113.6	W289 E290 N291	W289-R293 WeakPolarHBondContact O-CG 3.14Å; W289-R293 PolarHBondContact O-N 3.41Å; W289-R293 VanDerWaalsContact O-N 3.12Å; E290-R293 PolarHBondContact O-N 3.31Å; N291-R293 PolarHBondContact O-N 3.29Å
294	K	79.6	Confident	79.9	Confident	146 Å²	146	67.4 Å²	67.4	64%	0.635	36%	0.358	S	S	*	.	H	α-helix	trans	-88.1	-39.5	-178.1	-69.8	176.7	-174.8	172	0	112.9	E290 N291 M292	E290-K294 VanDerWaalsContact CD-NZ 3.32Å; E290-K294 HydrophobicContact CG-CD 4.22Å; E290-K294 WeakPolarHBondContact O-CG 3.44Å; E290-K294 PolarHBondContact O-N 3.06Å; E290-K294 VanDerWaalsContact OE1-CE 3.28Å; E290-K294 WeakPolarHBondContact OE1-CE 3.29Å; E290-K294 IonicContact OE1-NZ 2.83Å; E290-K294 PolarHBondContact OE1-NZ 2.93Å; N291-K294 PolarHBondContact O-N 3.22Å; M292-K294 VanDerWaalsContact C-N 3.26Å; M292-K294 PolarHBondContact O-N 2.84Å
295	K	76.8	Confident	81.3	Confident	66 Å²	66	68.4 Å²	68.4	29%	0.287	36%	0.36	S	S	.	.	H	α-helix	trans	-99.9	-23.7	-167	-61.4	-176.9	-178.8	-176.4	0	113.9	N291 P297 K361 D364	N291-K295 HydrophobicContact CB-CD 4.5Å; N291-K295 VanDerWaalsContact O-CB 3.27Å; N291-K295 WeakPolarHBondContact O-CB 3.38Å; N291-K295 WeakPolarHBondContact O-CG 3.11Å; N291-K295 PolarHBondContact O-N 3.26Å; K295-P297 WeakPolarHBondContact O-CD 3.37Å; K295-K361 HydrophobicContact CB-CB 4.23Å; K295-K361 HydrophobicContact CB-CD 4.43Å; K295-K361 HydrophobicContact CB-CG 4.22Å; K295-K361 WeakPolarHBondContact O-CD 3.12Å; K295-K361 WeakPolarHBondContact O-CE 3.5Å; K295-D364 PolarHBondContact NZ-O 2.87Å
296	I	76.1	Confident	82.4	Confident	16 Å²	16	69.6 Å²	69.6	8%	0.082	37%	0.365	C	S	.	.	S	Bend	trans	-89.4	120.8	-177.3	-58.4	-162.1	0	0	0	110.7	R269 M292 T358 K361	R269-I296 HydrophobicContact CB-CD1 4.33Å; R269-I296 HydrophobicContact CB-CG2 3.74Å; R269-I296 HydrophobicContact CG-CG2 4.43Å; M292-I296 HydrophobicContact CG-CD1 3.66Å; M292-I296 HydrophobicContact CG-CG1 4.11Å; M292-I296 WeakPolarHBondContact O-CB 3.19Å; M292-I296 PolarHBondContact O-N 3.33Å; M292-I296 VanDerWaalsContact O-N 3.11Å; I296-T358 HydrophobicContact CD1-CG2 3.99Å; I296-K361 HydrophobicContact CG1-CB 4.4Å
297	P	75.4	Confident	83.4	Confident	56 Å²	56	63.5 Å²	63.5	36%	0.364	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-66.8	138.9	175.7	-14.6	28.2	0	0	0	111.6	K295	K295-P297 WeakPolarHBondContact O-CD 3.37Å
298	A	74.5	Confident	84.1	Confident	92 Å²	92	63.2 Å²	63.2	76%	0.76	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	144.3	173.3	0	0	0	0	0	111.5
299	G	77.4	Confident	84.8	Confident	83 Å²	83	63.7 Å²	63.7	86%	0.856	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	1.2	171.4	0	0	0	0	0	115.8
300	Q	86.1	Confident	85.5	Confident	82 Å²	82	60.9 Å²	60.9	38%	0.383	33%	0.329	S	S	.	.			trans	-95	139.9	170.3	-68.7	179.2	-12.5	0	0	111	R269	R269-Q300 HydrophobicContact CG-CB 4.45Å; R269-Q300 PolarHBondContact N-O 3.23Å; R269-Q300 VanDerWaalsContact NH1-OE1 3.16Å
301	S	92.6	Very high	86.1	Confident	42 Å²	42	56.3 Å²	56.3	29%	0.294	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.8	-178.7	62.5	0	0	0	0	111.4	T266 M267 N354	T266-S301 WeakPolarHBondContact CB-OG 3.35Å; T266-S301 WeakPolarHBondContact OG1-CB 3.44Å; T266-S301 PolarHBondContact OG1-OG 3.12Å; T266-S301 VanDerWaalsContact OG1-OG 3.13Å; M267-S301 CarbonylContact O-C 3.46Å; M267-S301 VanDerWaalsContact O-CA 3.23Å; M267-S301 WeakPolarHBondContact O-CA 3.28Å; M267-S301 VanDerWaalsContact O-CB 3.31Å; M267-S301 WeakPolarHBondContact O-CB 3.34Å; S301-N354 PolarHBondContact O-ND2 2.97Å
302	I	95.1	Very high	86.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.7	177	-67.1	168.8	0	0	0	107.7	M267 R269 F272 E306 F307 V355	M267-I302 PolarHBondContact N-O 2.76Å; M267-I302 PolarHBondContact O-N 2.97Å; R269-I302 HydrophobicContact CG-CD1 4.24Å; R269-I302 HydrophobicContact CG-CG1 4.3Å; F272-I302 HydrophobicContact CB-CD1 3.61Å; F272-I302 HydrophobicContact CD1-CD1 3.53Å; F272-I302 HydrophobicContact CD2-CD1 3.91Å; F272-I302 HydrophobicContact CE1-CD1 4.14Å; F272-I302 HydrophobicContact CE2-CD1 4.47Å; F272-I302 HydrophobicContact CG-CD1 3.39Å; I302-E306 HydrophobicContact CG2-CB 3.78Å; I302-F307 HydrophobicContact CG2-CB 4.3Å; I302-V355 HydrophobicContact CD1-CG2 4.29Å; I302-V355 HydrophobicContact CG1-CG2 4.32Å; I302-V355 HydrophobicContact CG2-CG2 4.11Å
303	T	96.1	Very high	87.4	Confident	57 Å²	57	56.3 Å²	56.3	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	164.7	176.8	61.2	0	0	0	0	111.5	T266 E305 E306 F307	T266-T303 HydrophobicContact CG2-CG2 4.26Å; T303-E305 VanDerWaalsContact C-N 3.3Å; T303-E305 PolarHBondContact O-N 2.69Å; T303-E306 PolarHBondContact N-OE2 3.1Å; T303-E306 PolarHBondContact O-N 3.27Å; T303-E306 VanDerWaalsContact OG1-CG 3.28Å; T303-E306 WeakPolarHBondContact OG1-CG 3.21Å; T303-E306 PolarHBondContact OG1-N 2.85Å; T303-E306 PolarHBondContact OG1-OE2 2.84Å; T303-F307 WeakPolarHBondContact O-CB 3.23Å; T303-F307 PolarHBondContact O-N 2.68Å
304	F	95	Very high	87.9	Confident	55 Å²	55	48.4 Å²	48.4	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-37.2	176.4	-178.1	-120.4	0	0	0	113.1	E254 F257 F307 K308	E254-F304 HydrophobicContact CB-CE2 4.15Å; E254-F304 HydrophobicContact CB-CZ 3.89Å; E254-F304 HydrophobicContact CG-CE2 4.39Å; E254-F304 HydrophobicContact CG-CZ 4.14Å; F257-F304 HydrophobicContact CB-CD2 3.77Å; F257-F304 HydrophobicContact CB-CE2 3.98Å; F257-F304 HydrophobicContact CD1-CB 4.41Å; F257-F304 AromaticContact CD1-CD2 3.96Å; F257-F304 HydrophobicContact CD1-CD2 3.96Å; F257-F304 HydrophobicContact CD2-CB 4.45Å; F257-F304 AromaticContact CD2-CD2 3.86Å; F257-F304 HydrophobicContact CD2-CD2 3.86Å; F257-F304 HydrophobicContact CE1-CB 4.18Å; F257-F304 HydrophobicContact CE2-CB 4.21Å; F257-F304 HydrophobicContact CE2-CD2 4.44Å; F257-F304 AromaticContact CG-CD2 3.58Å; F257-F304 HydrophobicContact CG-CD2 3.58Å; F257-F304 HydrophobicContact CG-CE2 4.3Å; F257-F304 HydrophobicContact CZ-CB 4.06Å; F304-F307 HydrophobicContact CD2-CD1 4.32Å; F304-F307 HydrophobicContact CE2-CD1 4.34Å; F304-F307 WeakPolarHBondContact O-CB 3.39Å; F304-F307 PolarHBondContact O-N 3.14Å; F304-K308 WeakPolarHBondContact O-CB 3.46Å; F304-K308 PolarHBondContact O-N 2.8Å
305	E	94	Very high	88.2	Confident	125 Å²	125	42.6 Å²	42.6	58%	0.584	26%	0.255	S	S	*	.	H	α-helix	trans	-67.3	-40.9	178.5	-67.2	-57.6	149.5	0	0	112.3	T303 F307 K308 A309	T303-E305 VanDerWaalsContact C-N 3.3Å; T303-E305 PolarHBondContact O-N 2.69Å; E305-F307 VanDerWaalsContact C-N 3.35Å; E305-K308 PolarHBondContact O-N 3.01Å; E305-A309 WeakPolarHBondContact O-CB 3.29Å; E305-A309 PolarHBondContact O-N 3.34Å
306	E	95.7	Very high	88.7	Confident	36 Å²	36	40.3 Å²	40.3	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-42.7	173.7	-72.9	173.6	120.7	0	0	111.6	I302 T303 A309 F310 S352 N354 V355	I302-E306 HydrophobicContact CG2-CB 3.78Å; T303-E306 PolarHBondContact N-OE2 3.1Å; T303-E306 PolarHBondContact O-N 3.27Å; T303-E306 VanDerWaalsContact OG1-CG 3.28Å; T303-E306 WeakPolarHBondContact OG1-CG 3.21Å; T303-E306 PolarHBondContact OG1-N 2.85Å; T303-E306 PolarHBondContact OG1-OE2 2.84Å; E306-A309 PolarHBondContact O-N 3.09Å; E306-F310 PolarHBondContact O-N 2.91Å; E306-S352 VanDerWaalsContact OE1-CB 3.24Å; E306-S352 WeakPolarHBondContact OE1-CB 3.37Å; E306-S352 PolarHBondContact OE1-OG 3.4Å; E306-N354 WeakPolarHBondContact OE1-CB 3.1Å; E306-N354 PolarHBondContact OE1-ND2 3.43Å; E306-V355 HydrophobicContact CB-CG2 3.82Å; E306-V355 HydrophobicContact CG-CG2 4.47Å
307	F	94.8	Very high	89.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-46.9	175	176.5	-96.8	0	0	0	111.8	Q253 E256 F257 M267 F272 W275 I302 T303 F304 E305 A309 F310 C311	Q253-F307 HydrophobicContact CB-CE1 4.29Å; Q253-F307 WeakPolarHBondContact O-CE1 3.24Å; E256-F307 HydrophobicContact CB-CZ 4.25Å; F257-F307 HydrophobicContact CB-CD1 4.05Å; F257-F307 HydrophobicContact CB-CE1 4Å; F257-F307 HydrophobicContact CD2-CB 3.77Å; F257-F307 AromaticContact CD2-CD1 3.87Å; F257-F307 HydrophobicContact CD2-CD1 3.87Å; F257-F307 HydrophobicContact CD2-CD2 4.18Å; F257-F307 AromaticContact CD2-CG 3.68Å; F257-F307 HydrophobicContact CD2-CG 3.68Å; F257-F307 HydrophobicContact CE2-CB 4.05Å; F257-F307 HydrophobicContact CE2-CG 4.41Å; F257-F307 HydrophobicContact CG-CD1 4.42Å; M267-F307 HydrophobicContact CE-CD2 4.23Å; M267-F307 HydrophobicContact CE-CE2 4.16Å; F272-F307 HydrophobicContact CD2-CD2 4.07Å; F272-F307 HydrophobicContact CE2-CD2 4.09Å; W275-F307 AromaticContact CD2-CE2 3.63Å; W275-F307 HydrophobicContact CD2-CE2 3.63Å; W275-F307 HydrophobicContact CD2-CZ 4.23Å; W275-F307 AromaticContact CE2-CE2 3.34Å; W275-F307 AromaticContact CE2-CZ 3.48Å; W275-F307 VanDerWaalsContact CE2-CZ 3.48Å; W275-F307 AromaticContact CE3-CE2 3.97Å; W275-F307 HydrophobicContact CE3-CE2 3.97Å; W275-F307 HydrophobicContact CG-CE2 4.2Å; W275-F307 AromaticContact CH2-CE2 3.86Å; W275-F307 HydrophobicContact CH2-CE2 3.86Å; W275-F307 HydrophobicContact CH2-CZ 4.24Å; W275-F307 AromaticContact CZ2-CE2 3.48Å; W275-F307 HydrophobicContact CZ2-CE2 3.48Å; W275-F307 VanDerWaalsContact CZ2-CE2 3.48Å; W275-F307 AromaticContact CZ2-CZ 3.51Å; W275-F307 HydrophobicContact CZ2-CZ 3.51Å; W275-F307 HydrophobicContact CZ3-CE2 4.06Å; W275-F307 AromaticContact NE1-CE2 3.73Å; W275-F307 AromaticContact NE1-CZ 3.56Å; I302-F307 HydrophobicContact CG2-CB 4.3Å; T303-F307 WeakPolarHBondContact O-CB 3.23Å; T303-F307 PolarHBondContact O-N 2.68Å; F304-F307 HydrophobicContact CD2-CD1 4.32Å; F304-F307 HydrophobicContact CE2-CD1 4.34Å; F304-F307 WeakPolarHBondContact O-CB 3.39Å; F304-F307 PolarHBondContact O-N 3.14Å; E305-F307 VanDerWaalsContact C-N 3.35Å; F307-A309 PolarHBondContact O-N 3.44Å; F307-F310 CarbonylContact O-C 3.58Å; F307-F310 WeakPolarHBondContact O-CA 3.44Å; F307-F310 WeakPolarHBondContact O-CB 3.28Å; F307-F310 PolarHBondContact O-N 3.23Å; F307-F310 VanDerWaalsContact O-N 3.1Å; F307-C311 VanDerWaalsContact CE1-SG 3.52Å; F307-C311 PolarHBondContact O-N 3.01Å; F307-C311 PolarHBondContact O-SG 2.85Å; F307-C311 VanDerWaalsContact O-SG 3.39Å
308	K	91.8	Very high	89.8	Confident	84 Å²	84	45.6 Å²	45.6	37%	0.365	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-41.9	178.3	-174.6	178.3	-179.8	179.8	0	112.1	F304 E305 F310 C311 L312	F304-K308 WeakPolarHBondContact O-CB 3.46Å; F304-K308 PolarHBondContact O-N 2.8Å; E305-K308 PolarHBondContact O-N 3.01Å; K308-F310 VanDerWaalsContact C-N 3.28Å; K308-F310 PolarHBondContact O-N 3.15Å; K308-C311 PolarHBondContact O-N 3.42Å; K308-L312 PolarHBondContact O-N 3.47Å
309	A	93.2	Very high	90.3	Very high	28 Å²	28	45.3 Å²	45.3	23%	0.231	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-39.8	173.8	0	0	0	0	0	111.5	E305 E306 F307 L312 F313 L351	E305-A309 WeakPolarHBondContact O-CB 3.29Å; E305-A309 PolarHBondContact O-N 3.34Å; E306-A309 PolarHBondContact O-N 3.09Å; F307-A309 PolarHBondContact O-N 3.44Å; A309-L312 WeakPolarHBondContact O-CB 3.44Å; A309-L312 PolarHBondContact O-N 3.33Å; A309-F313 PolarHBondContact O-N 3.33Å; A309-F313 VanDerWaalsContact O-N 3.11Å; A309-L351 HydrophobicContact CB-CD2 4.1Å
310	F	93.8	Very high	90.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-41.8	174.7	-168.8	-94.7	0	0	0	112.6	F272 W275 L276 E306 F307 K308 L312 F313 T314 L351 V355 V359 M380	F272-F310 AromaticContact CE2-CD1 4Å; F272-F310 HydrophobicContact CE2-CD1 4Å; F272-F310 HydrophobicContact CE2-CE1 4.48Å; F272-F310 HydrophobicContact CE2-CG 4.29Å; F272-F310 HydrophobicContact CZ-CB 4.49Å; F272-F310 AromaticContact CZ-CD1 3.69Å; F272-F310 HydrophobicContact CZ-CD1 3.69Å; F272-F310 HydrophobicContact CZ-CD2 4.2Å; F272-F310 AromaticContact CZ-CE1 3.88Å; F272-F310 HydrophobicContact CZ-CE1 3.88Å; F272-F310 HydrophobicContact CZ-CE2 4.37Å; F272-F310 AromaticContact CZ-CG 3.85Å; F272-F310 HydrophobicContact CZ-CG 3.85Å; F272-F310 HydrophobicContact CZ-CZ 4.21Å; W275-F310 AromaticContact CH2-CD1 3.85Å; W275-F310 HydrophobicContact CH2-CD1 3.85Å; W275-F310 HydrophobicContact CH2-CE1 4.14Å; W275-F310 AromaticContact CZ3-CD1 3.68Å; W275-F310 HydrophobicContact CZ3-CD1 3.68Å; W275-F310 AromaticContact CZ3-CE1 3.75Å; W275-F310 HydrophobicContact CZ3-CE1 3.75Å; L276-F310 HydrophobicContact CD1-CE1 3.59Å; L276-F310 HydrophobicContact CD1-CZ 4.03Å; L276-F310 HydrophobicContact CD2-CZ 4.44Å; E306-F310 PolarHBondContact O-N 2.91Å; F307-F310 CarbonylContact O-C 3.58Å; F307-F310 WeakPolarHBondContact O-CA 3.44Å; F307-F310 WeakPolarHBondContact O-CB 3.28Å; F307-F310 PolarHBondContact O-N 3.23Å; F307-F310 VanDerWaalsContact O-N 3.1Å; K308-F310 VanDerWaalsContact C-N 3.28Å; K308-F310 PolarHBondContact O-N 3.15Å; F310-L312 VanDerWaalsContact C-N 3.3Å; F310-L312 PolarHBondContact O-N 3.05Å; F310-F313 AromaticContact CD2-CD1 3.92Å; F310-F313 HydrophobicContact CD2-CD1 3.92Å; F310-F313 AromaticContact CE2-CD1 3.67Å; F310-F313 HydrophobicContact CE2-CD1 3.67Å; F310-F313 AromaticContact CE2-CE1 3.83Å; F310-F313 HydrophobicContact CE2-CE1 3.83Å; F310-F313 HydrophobicContact CG-CD1 4.48Å; F310-F313 HydrophobicContact CZ-CD1 4.03Å; F310-F313 HydrophobicContact CZ-CE1 4.01Å; F310-F313 WeakPolarHBondContact O-CA 3.38Å; F310-F313 VanDerWaalsContact O-CB 3.28Å; F310-F313 WeakPolarHBondContact O-CB 3.49Å; F310-F313 PolarHBondContact O-N 2.96Å; F310-F313 VanDerWaalsContact O-N 3.09Å; F310-T314 HydrophobicContact CD1-CG2 3.91Å; F310-T314 HydrophobicContact CE1-CG2 3.64Å; F310-T314 HydrophobicContact CZ-CG2 4.35Å; F310-T314 WeakPolarHBondContact O-CG2 3.22Å; F310-T314 PolarHBondContact O-N 3.47Å; F310-L351 HydrophobicContact CB-CD2 4.26Å; F310-L351 HydrophobicContact CD2-CD1 3.92Å; F310-L351 HydrophobicContact CD2-CD2 4.32Å; F310-L351 HydrophobicContact CE2-CD1 4.38Å; F310-V355 HydrophobicContact CB-CG1 4.26Å; F310-V355 HydrophobicContact CD2-CG1 3.49Å; F310-V355 VanDerWaalsContact CD2-CG1 3.49Å; F310-V355 HydrophobicContact CE2-CG1 4.16Å; F310-V355 HydrophobicContact CG-CG1 4.11Å; F310-V359 HydrophobicContact CE2-CG2 3.69Å; F310-V359 HydrophobicContact CZ-CG2 4.09Å; F310-M380 HydrophobicContact CE1-CE 3.86Å; F310-M380 HydrophobicContact CZ-CE 3.75Å; F310-M380 HydrophobicContact CZ-SD 4.31Å
311	C	90.2	Very high	90.9	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.02	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-40.6	173.7	-67.2	0	0	0	0	112.2	Q253 F307 K308 F313 T314 N315	Q253-C311 HydrophobicContact CG-CB 4.02Å; F307-C311 VanDerWaalsContact CE1-SG 3.52Å; F307-C311 PolarHBondContact O-N 3.01Å; F307-C311 PolarHBondContact O-SG 2.85Å; F307-C311 VanDerWaalsContact O-SG 3.39Å; K308-C311 PolarHBondContact O-N 3.42Å; C311-F313 VanDerWaalsContact C-N 3.28Å; C311-F313 PolarHBondContact O-N 3.4Å; C311-T314 WeakPolarHBondContact CA-OG1 3.32Å; C311-T314 PolarHBondContact O-N 2.94Å; C311-T314 VanDerWaalsContact O-N 3.12Å; C311-T314 PolarHBondContact O-OG1 2.95Å; C311-N315 PolarHBondContact O-N 3.44Å
312	L	89.1	Confident	90.5	Very high	34 Å²	34	43.9 Å²	43.9	18%	0.178	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-41.5	173.8	178.3	63.8	0	0	0	111.4	K308 A309 F310 N315 N316 H349	K308-L312 PolarHBondContact O-N 3.47Å; A309-L312 WeakPolarHBondContact O-CB 3.44Å; A309-L312 PolarHBondContact O-N 3.33Å; F310-L312 VanDerWaalsContact C-N 3.3Å; F310-L312 PolarHBondContact O-N 3.05Å; L312-N315 PolarHBondContact O-N 3.42Å; L312-N316 PolarHBondContact O-N 3.29Å; L312-N316 PolarHBondContact O-ND2 3.16Å; L312-H349 WeakPolarHBondContact CD2-CD2 3.38Å
313	F	90.8	Very high	90	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-47.1	171.6	157	-109.6	0	0	0	112.3	A309 F310 C311 N315 N316 L317 F320 F339 V343 T347 L351 F376 M380	A309-F313 PolarHBondContact O-N 3.33Å; A309-F313 VanDerWaalsContact O-N 3.11Å; F310-F313 AromaticContact CD2-CD1 3.92Å; F310-F313 HydrophobicContact CD2-CD1 3.92Å; F310-F313 AromaticContact CE2-CD1 3.67Å; F310-F313 HydrophobicContact CE2-CD1 3.67Å; F310-F313 AromaticContact CE2-CE1 3.83Å; F310-F313 HydrophobicContact CE2-CE1 3.83Å; F310-F313 HydrophobicContact CG-CD1 4.48Å; F310-F313 HydrophobicContact CZ-CD1 4.03Å; F310-F313 HydrophobicContact CZ-CE1 4.01Å; F310-F313 WeakPolarHBondContact O-CA 3.38Å; F310-F313 VanDerWaalsContact O-CB 3.28Å; F310-F313 WeakPolarHBondContact O-CB 3.49Å; F310-F313 PolarHBondContact O-N 2.96Å; F310-F313 VanDerWaalsContact O-N 3.09Å; C311-F313 VanDerWaalsContact C-N 3.28Å; C311-F313 PolarHBondContact O-N 3.4Å; F313-N315 PolarHBondContact O-N 2.94Å; F313-N316 CarbonylContact O-C 3.19Å; F313-N316 PolarHBondContact O-N 3.43Å; F313-L317 HydrophobicContact CZ-CD1 4.27Å; F313-L317 PolarHBondContact O-N 3.35Å; F313-F320 HydrophobicContact CE2-CB 4.05Å; F313-F320 AromaticContact CE2-CD1 3.85Å; F313-F320 HydrophobicContact CE2-CD1 3.85Å; F313-F320 AromaticContact CE2-CD2 3.66Å; F313-F320 HydrophobicContact CE2-CD2 3.66Å; F313-F320 HydrophobicContact CE2-CE1 4.14Å; F313-F320 AromaticContact CE2-CE2 3.93Å; F313-F320 HydrophobicContact CE2-CE2 3.93Å; F313-F320 AromaticContact CE2-CG 3.58Å; F313-F320 HydrophobicContact CE2-CG 3.58Å; F313-F320 HydrophobicContact CE2-CZ 4.12Å; F313-F320 HydrophobicContact CZ-CD1 4.12Å; F313-F320 HydrophobicContact CZ-CD2 4.49Å; F313-F320 HydrophobicContact CZ-CE1 4.08Å; F313-F320 HydrophobicContact CZ-CE2 4.42Å; F313-F320 HydrophobicContact CZ-CG 4.31Å; F313-F320 HydrophobicContact CZ-CZ 4.18Å; F313-F339 HydrophobicContact CE1-CZ 4.46Å; F313-F339 HydrophobicContact CZ-CZ 4.11Å; F313-V343 HydrophobicContact CB-CG1 4.13Å; F313-V343 HydrophobicContact CD2-CB 4.33Å; F313-V343 HydrophobicContact CD2-CG1 3.82Å; F313-V343 HydrophobicContact CD2-CG2 3.79Å; F313-V343 HydrophobicContact CE2-CG2 3.76Å; F313-V343 HydrophobicContact CG-CG1 4.14Å; F313-V343 HydrophobicContact CG-CG2 4.44Å; F313-V343 HydrophobicContact CZ-CG2 4.38Å; F313-T347 HydrophobicContact CB-CG2 3.99Å; F313-T347 HydrophobicContact CD2-CG2 4.39Å; F313-L351 HydrophobicContact CB-CD1 4.48Å; F313-L351 HydrophobicContact CB-CD2 4.44Å; F313-L351 HydrophobicContact CD1-CD1 4.33Å; F313-L351 HydrophobicContact CG-CD1 4.36Å; F313-F376 AromaticContact CE1-CZ 3.88Å; F313-F376 HydrophobicContact CE1-CZ 3.88Å; F313-F376 AromaticContact CZ-CE1 3.93Å; F313-F376 HydrophobicContact CZ-CE1 3.93Å; F313-F376 AromaticContact CZ-CZ 3.74Å; F313-F376 HydrophobicContact CZ-CZ 3.74Å; F313-M380 HydrophobicContact CE1-CE 4.05Å
314	T	88.8	Confident	89.3	Confident	11 Å²	11	42.7 Å²	42.7	7%	0.067	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-31.8	179.2	67.8	0	0	0	0	113.2	F310 C311 N316 L317 M380 V384	F310-T314 HydrophobicContact CD1-CG2 3.91Å; F310-T314 HydrophobicContact CE1-CG2 3.64Å; F310-T314 HydrophobicContact CZ-CG2 4.35Å; F310-T314 WeakPolarHBondContact O-CG2 3.22Å; F310-T314 PolarHBondContact O-N 3.47Å; C311-T314 WeakPolarHBondContact CA-OG1 3.32Å; C311-T314 PolarHBondContact O-N 2.94Å; C311-T314 VanDerWaalsContact O-N 3.12Å; C311-T314 PolarHBondContact O-OG1 2.95Å; T314-N316 VanDerWaalsContact C-N 3.26Å; T314-N316 PolarHBondContact O-N 3.19Å; T314-L317 VanDerWaalsContact O-CB 3.24Å; T314-L317 WeakPolarHBondContact O-CB 3.43Å; T314-L317 PolarHBondContact O-N 2.93Å; T314-M380 HydrophobicContact CG2-CE 3.27Å; T314-V384 WeakPolarHBondContact O-CG2 3.5Å
315	N	85.1	Confident	88.8	Confident	25 Å²	25	45.3 Å²	45.3	13%	0.134	22%	0.224	C	C	.	.	H	α-helix	trans	-71.6	-19.9	177.1	-73.9	-5.5	0	0	0	113.3	C311 L312 F313	C311-N315 PolarHBondContact O-N 3.44Å; L312-N315 PolarHBondContact O-N 3.42Å; F313-N315 PolarHBondContact O-N 2.94Å
316	N	87	Confident	88.2	Confident	18 Å²	18	45.1 Å²	45.1	10%	0.096	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	28.6	177.5	-59.4	-85.2	0	0	0	111.1	L312 F313 T314 E318 D319 F320 T347	L312-N316 PolarHBondContact O-N 3.29Å; L312-N316 PolarHBondContact O-ND2 3.16Å; F313-N316 CarbonylContact O-C 3.19Å; F313-N316 PolarHBondContact O-N 3.43Å; T314-N316 VanDerWaalsContact C-N 3.26Å; T314-N316 PolarHBondContact O-N 3.19Å; N316-E318 VanDerWaalsContact C-N 3.26Å; N316-E318 PolarHBondContact O-N 2.9Å; N316-D319 PolarHBondContact O-N 3.48Å; N316-F320 PolarHBondContact O-N 2.83Å; N316-T347 HydrophobicContact CB-CG2 4.3Å
317	L	88.7	Confident	87.5	Confident	12 Å²	12	45.2 Å²	45.2	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-30.9	-175.8	-175.1	66.8	0	0	0	112.6	F313 T314 F320 A321 M377 M380 V384	F313-L317 HydrophobicContact CZ-CD1 4.27Å; F313-L317 PolarHBondContact O-N 3.35Å; T314-L317 VanDerWaalsContact O-CB 3.24Å; T314-L317 WeakPolarHBondContact O-CB 3.43Å; T314-L317 PolarHBondContact O-N 2.93Å; L317-F320 HydrophobicContact CD1-CD1 4.16Å; L317-F320 PolarHBondContact O-N 2.85Å; L317-A321 VanDerWaalsContact O-CB 3.28Å; L317-A321 WeakPolarHBondContact O-CB 3.42Å; L317-A321 PolarHBondContact O-N 2.97Å; L317-M377 HydrophobicContact CD1-CE 3.56Å; L317-M377 HydrophobicContact CD1-SD 3.86Å; L317-M377 HydrophobicContact CD2-CE 4.02Å; L317-M377 HydrophobicContact CG-CE 3.55Å; L317-M380 HydrophobicContact CD1-CB 3.82Å; L317-M380 HydrophobicContact CD1-CG 4.44Å; L317-M380 VanDerWaalsContact CD2-C 3.49Å; L317-M380 HydrophobicContact CD2-CB 3.55Å; L317-M380 HydrophobicContact CG-CB 4.36Å; L317-V384 HydrophobicContact CB-CG2 4.41Å; L317-V384 HydrophobicContact CD2-CG2 3.95Å
318	E	85.6	Confident	86.7	Confident	171 Å²	171	47.9 Å²	47.9	80%	0.799	24%	0.244	S	C	*	.	H	α-helix	trans	-66.1	-45.7	178.3	-66.5	-173.6	173.7	0	0	112.3	N316 F320 A321 F322	N316-E318 VanDerWaalsContact C-N 3.26Å; N316-E318 PolarHBondContact O-N 2.9Å; E318-F320 VanDerWaalsContact C-N 3.29Å; E318-F320 PolarHBondContact O-N 2.94Å; E318-A321 WeakPolarHBondContact O-CB 3.18Å; E318-A321 PolarHBondContact O-N 3.37Å; E318-F322 PolarHBondContact O-N 3.25Å; E318-F322 VanDerWaalsContact O-N 3.08Å
319	D	86.4	Confident	86.3	Confident	86 Å²	86	50.2 Å²	50.2	46%	0.46	26%	0.256	S	S	.	.	H	α-helix	trans	-64.7	-37.8	177.2	-66.8	-26.8	0	0	0	111.3	N316 S323 A346	N316-D319 PolarHBondContact O-N 3.48Å; D319-S323 PolarHBondContact O-N 3.17Å; D319-S323 PolarHBondContact O-OG 3.4Å; D319-A346 HydrophobicContact CB-CB 4.24Å
320	F	88.9	Confident	85.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-44.3	172.5	177	-96.8	0	0	0	112.4	F313 N316 L317 E318 F322 S323 M324 F339 A342 V343 A346 F376 M377	F313-F320 HydrophobicContact CE2-CB 4.05Å; F313-F320 AromaticContact CE2-CD1 3.85Å; F313-F320 HydrophobicContact CE2-CD1 3.85Å; F313-F320 AromaticContact CE2-CD2 3.66Å; F313-F320 HydrophobicContact CE2-CD2 3.66Å; F313-F320 HydrophobicContact CE2-CE1 4.14Å; F313-F320 AromaticContact CE2-CE2 3.93Å; F313-F320 HydrophobicContact CE2-CE2 3.93Å; F313-F320 AromaticContact CE2-CG 3.58Å; F313-F320 HydrophobicContact CE2-CG 3.58Å; F313-F320 HydrophobicContact CE2-CZ 4.12Å; F313-F320 HydrophobicContact CZ-CD1 4.12Å; F313-F320 HydrophobicContact CZ-CD2 4.49Å; F313-F320 HydrophobicContact CZ-CE1 4.08Å; F313-F320 HydrophobicContact CZ-CE2 4.42Å; F313-F320 HydrophobicContact CZ-CG 4.31Å; F313-F320 HydrophobicContact CZ-CZ 4.18Å; N316-F320 PolarHBondContact O-N 2.83Å; L317-F320 HydrophobicContact CD1-CD1 4.16Å; L317-F320 PolarHBondContact O-N 2.85Å; E318-F320 VanDerWaalsContact C-N 3.29Å; E318-F320 PolarHBondContact O-N 2.94Å; F320-F322 VanDerWaalsContact C-N 3.27Å; F320-F322 PolarHBondContact O-N 3.34Å; F320-S323 WeakPolarHBondContact O-CB 3.46Å; F320-S323 PolarHBondContact O-N 3.19Å; F320-S323 VanDerWaalsContact O-N 3.13Å; F320-M324 HydrophobicContact CE1-CB 4.4Å; F320-M324 HydrophobicContact CE1-CE 3.53Å; F320-M324 HydrophobicContact CE2-CE 3.65Å; F320-M324 HydrophobicContact CZ-CE 3Å; F320-M324 WeakPolarHBondContact O-CB 3.3Å; F320-M324 PolarHBondContact O-N 3.43Å; F320-F339 HydrophobicContact CE1-CE2 4.17Å; F320-F339 HydrophobicContact CE2-CD2 4.31Å; F320-F339 HydrophobicContact CE2-CE2 4.22Å; F320-F339 HydrophobicContact CE2-CZ 4.44Å; F320-F339 AromaticContact CZ-CD2 3.67Å; F320-F339 HydrophobicContact CZ-CD2 3.67Å; F320-F339 AromaticContact CZ-CE2 3.38Å; F320-F339 HydrophobicContact CZ-CE2 3.38Å; F320-F339 HydrophobicContact CZ-CG 4.42Å; F320-F339 AromaticContact CZ-CZ 3.88Å; F320-F339 HydrophobicContact CZ-CZ 3.88Å; F320-A342 HydrophobicContact CD2-CB 3.89Å; F320-A342 HydrophobicContact CE2-CB 3.63Å; F320-V343 HydrophobicContact CD2-CG2 4.05Å; F320-V343 HydrophobicContact CE2-CG2 3.62Å; F320-V343 HydrophobicContact CZ-CG2 4.45Å; F320-A346 HydrophobicContact CB-CB 3.94Å; F320-F376 HydrophobicContact CD1-CE1 4.43Å; F320-F376 HydrophobicContact CE1-CD1 4.15Å; F320-F376 AromaticContact CE1-CE1 3.6Å; F320-F376 HydrophobicContact CE1-CE1 3.6Å; F320-F376 HydrophobicContact CZ-CE1 4.18Å; F320-M377 HydrophobicContact CD1-SD 4.01Å; F320-M377 HydrophobicContact CE1-SD 4.09Å
321	A	86.9	Confident	85.1	Confident	22 Å²	22	59 Å²	59	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-56.8	-43.4	179.1	0	0	0	0	0	111.1	L317 E318 M324 K325 M377	L317-A321 VanDerWaalsContact O-CB 3.28Å; L317-A321 WeakPolarHBondContact O-CB 3.42Å; L317-A321 PolarHBondContact O-N 2.97Å; E318-A321 WeakPolarHBondContact O-CB 3.18Å; E318-A321 PolarHBondContact O-N 3.37Å; A321-M324 PolarHBondContact O-N 3.37Å; A321-K325 VanDerWaalsContact O-CB 3.28Å; A321-K325 WeakPolarHBondContact O-CB 3.5Å; A321-K325 PolarHBondContact O-N 3.02Å; A321-M377 HydrophobicContact CB-CE 3.38Å; A321-M377 HydrophobicContact CB-SD 4.34Å
322	F	84.3	Confident	84.5	Confident	155 Å²	155	67.5 Å²	67.5	68%	0.68	34%	0.339	S	S	*	.	H	α-helix	trans	-59.5	-48	177	-177.9	-96.6	0	0	0	111.7	E318 F320 M324 K325 M326	E318-F322 PolarHBondContact O-N 3.25Å; E318-F322 VanDerWaalsContact O-N 3.08Å; F320-F322 VanDerWaalsContact C-N 3.27Å; F320-F322 PolarHBondContact O-N 3.34Å; F322-M324 VanDerWaalsContact C-N 3.31Å; F322-M324 PolarHBondContact O-N 3.47Å; F322-K325 PolarHBondContact O-N 3.35Å; F322-M326 PolarHBondContact O-N 3.26Å
323	S	83.5	Confident	84	Confident	25 Å²	25	70 Å²	70	18%	0.175	36%	0.358	C	S	.	.	H	α-helix	trans	-61	-41.2	177	-60.8	0	0	0	0	111.9	D319 F320 V327	D319-S323 PolarHBondContact O-N 3.17Å; D319-S323 PolarHBondContact O-OG 3.4Å; F320-S323 WeakPolarHBondContact O-CB 3.46Å; F320-S323 PolarHBondContact O-N 3.19Å; F320-S323 VanDerWaalsContact O-N 3.13Å; S323-V327 WeakPolarHBondContact O-CG2 3.12Å; S323-V327 PolarHBondContact O-N 2.97Å
324	M	82.5	Confident	83.7	Confident	7 Å²	7	70.2 Å²	70.2	3%	0.034	36%	0.359	C	S	.	.	H	α-helix	trans	-70.9	-41.1	-178.1	-165.4	61.6	76.1	0	0	112.6	F320 A321 F322 M326 V327 T328 V334 F339 H373	F320-M324 HydrophobicContact CE1-CB 4.4Å; F320-M324 HydrophobicContact CE1-CE 3.53Å; F320-M324 HydrophobicContact CE2-CE 3.65Å; F320-M324 HydrophobicContact CZ-CE 3Å; F320-M324 WeakPolarHBondContact O-CB 3.3Å; F320-M324 PolarHBondContact O-N 3.43Å; A321-M324 PolarHBondContact O-N 3.37Å; F322-M324 VanDerWaalsContact C-N 3.31Å; F322-M324 PolarHBondContact O-N 3.47Å; M324-M326 VanDerWaalsContact C-N 3.33Å; M324-M326 PolarHBondContact O-N 3.01Å; M324-V327 PolarHBondContact O-N 3.44Å; M324-T328 WeakPolarHBondContact O-CB 3.33Å; M324-T328 PolarHBondContact O-N 3.3Å; M324-T328 PolarHBondContact O-OG1 2.99Å; M324-V334 HydrophobicContact CE-CG1 3.54Å; M324-V334 HydrophobicContact SD-CB 3.83Å; M324-V334 HydrophobicContact SD-CG1 3.27Å; M324-V334 WeakPolarHBondContact SD-CG1 3.33Å; M324-V334 HydrophobicContact SD-CG2 3.32Å; M324-V334 WeakPolarHBondContact SD-CG2 3.4Å; M324-F339 HydrophobicContact CE-CD2 3.82Å; M324-F339 HydrophobicContact CE-CE2 4.38Å; M324-H373 HydrophobicContact CG-CB 4.35Å
325	K	82.9	Confident	83.7	Confident	109 Å²	109	70.2 Å²	70.2	47%	0.474	36%	0.361	S	S	.	.	H	α-helix	trans	-58.7	-45.3	175.6	-178.7	176.4	173.4	-178.8	0	111	A321 F322 V327 T328 E329	A321-K325 VanDerWaalsContact O-CB 3.28Å; A321-K325 WeakPolarHBondContact O-CB 3.5Å; A321-K325 PolarHBondContact O-N 3.02Å; F322-K325 PolarHBondContact O-N 3.35Å; K325-V327 VanDerWaalsContact C-N 3.34Å; K325-V327 PolarHBondContact O-N 3.44Å; K325-T328 PolarHBondContact O-N 2.96Å; K325-E329 WeakPolarHBondContact CE-OE1 3.13Å; K325-E329 HydrophobicContact CG-CG 4.34Å; K325-E329 IonicContact NZ-OE1 2.74Å; K325-E329 WeakPolarHBondContact O-CB 3.34Å; K325-E329 WeakPolarHBondContact O-CG 3.24Å; K325-E329 PolarHBondContact O-N 3.18Å
326	M	81.9	Confident	83.9	Confident	122 Å²	122	71.6 Å²	71.6	60%	0.601	37%	0.367	S	S	*	.	H	α-helix	trans	-59.5	-41.8	177.2	-175.9	-174.4	66.8	0	0	112.6	F322 M324 A330	F322-M326 PolarHBondContact O-N 3.26Å; M324-M326 VanDerWaalsContact C-N 3.33Å; M324-M326 PolarHBondContact O-N 3.01Å; M326-A330 PolarHBondContact O-N 2.8Å
327	V	80.6	Confident	84	Confident	38 Å²	38	74.1 Å²	74.1	23%	0.23	39%	0.391	C	S	.	.	H	α-helix	trans	-68.4	-41	178	176	0	0	0	0	111.2	S323 M324 K325 A330 R332 V334	S323-V327 WeakPolarHBondContact O-CG2 3.12Å; S323-V327 PolarHBondContact O-N 2.97Å; M324-V327 PolarHBondContact O-N 3.44Å; K325-V327 VanDerWaalsContact C-N 3.34Å; K325-V327 PolarHBondContact O-N 3.44Å; V327-A330 PolarHBondContact O-N 3.44Å; V327-R332 HydrophobicContact CG1-CB 3.97Å; V327-R332 PolarHBondContact O-N 3.34Å; V327-V334 HydrophobicContact CG1-CG2 3.91Å
328	T	79.8	Confident	84	Confident	55 Å²	55	78.2 Å²	78.2	34%	0.337	41%	0.41	S	S	.	.	H	α-helix	trans	-67.5	-43	-179.8	-52.4	0	0	0	0	111.4	M324 K325 A330 N331 H373	M324-T328 WeakPolarHBondContact O-CB 3.33Å; M324-T328 PolarHBondContact O-N 3.3Å; M324-T328 PolarHBondContact O-OG1 2.99Å; K325-T328 PolarHBondContact O-N 2.96Å; T328-A330 PolarHBondContact O-N 2.97Å; T328-N331 WeakPolarHBondContact O-CA 3.41Å; T328-N331 PolarHBondContact O-N 3.32Å; T328-H373 HydrophobicContact CG2-CB 4.3Å
329	E	82.8	Confident	84.2	Confident	133 Å²	133	70 Å²	70	62%	0.621	37%	0.372	S	S	*	.	H	α-helix	trans	-64.4	-24.7	176.4	-74.7	179.4	176.7	0	0	112.7	K325 N331	K325-E329 WeakPolarHBondContact CE-OE1 3.13Å; K325-E329 HydrophobicContact CG-CG 4.34Å; K325-E329 IonicContact NZ-OE1 2.74Å; K325-E329 WeakPolarHBondContact O-CB 3.34Å; K325-E329 WeakPolarHBondContact O-CG 3.24Å; K325-E329 PolarHBondContact O-N 3.18Å; E329-N331 PolarHBondContact O-N 3.37Å
330	A	83	Confident	84.5	Confident	59 Å²	59	68.7 Å²	68.7	49%	0.488	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	9.4	171.4	0	0	0	0	0	113.6	M326 V327 T328 R332	M326-A330 PolarHBondContact O-N 2.8Å; V327-A330 PolarHBondContact O-N 3.44Å; T328-A330 PolarHBondContact O-N 2.97Å; A330-R332 HydrophobicContact CB-CG 4.34Å; A330-R332 PolarHBondContact O-N 3.23Å
331	N	78.6	Confident	84.5	Confident	155 Å²	155	77.2 Å²	77.2	83%	0.829	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	33.7	-175.1	-65.2	-42.6	0	0	0	113.3	T328 E329	T328-N331 WeakPolarHBondContact O-CA 3.41Å; T328-N331 PolarHBondContact O-N 3.32Å; E329-N331 PolarHBondContact O-N 3.37Å
332	R	77.9	Confident	84.7	Confident	180 Å²	180	76.7 Å²	76.7	68%	0.679	39%	0.39	S	S	*	.			trans	-101.2	130.3	176.5	-66.9	-175.3	-177.5	-172.7	0.3	109.9	V327 A330	V327-R332 HydrophobicContact CG1-CB 3.97Å; V327-R332 PolarHBondContact O-N 3.34Å; A330-R332 HydrophobicContact CB-CG 4.34Å; A330-R332 PolarHBondContact O-N 3.23Å
333	P	78	Confident	85	Confident	86 Å²	86	69.4 Å²	69.4	56%	0.558	36%	0.358	S	S	*	.			trans	-66.4	144	173.7	28.1	-33.5	0	0	0	110.3	G335 C370	P333-G335 PolarHBondContact O-N 3.4Å; P333-C370 HydrophobicContact CB-CB 4.2Å
334	V	85.3	Confident	85.4	Confident	5 Å²	5	72.2 Å²	72.2	3%	0.03	37%	0.367	C	S	.	.			trans	-98.8	84.6	-178.3	-177.3	0	0	0	0	108.2	M324 V327 Q338 F339 C370 L371	M324-V334 HydrophobicContact CE-CG1 3.54Å; M324-V334 HydrophobicContact SD-CB 3.83Å; M324-V334 HydrophobicContact SD-CG1 3.27Å; M324-V334 WeakPolarHBondContact SD-CG1 3.33Å; M324-V334 HydrophobicContact SD-CG2 3.32Å; M324-V334 WeakPolarHBondContact SD-CG2 3.4Å; V327-V334 HydrophobicContact CG1-CG2 3.91Å; V334-Q338 HydrophobicContact CG1-CB 4.35Å; V334-F339 HydrophobicContact CG1-CB 4.22Å; V334-C370 VanDerWaalsContact O-CA 3.31Å; V334-C370 WeakPolarHBondContact O-CA 3.27Å; V334-L371 PolarHBondContact O-N 3.26Å
335	G	88.2	Confident	85.7	Confident	11 Å²	11	76.9 Å²	76.9	11%	0.113	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-76	176.8	171.6	0	0	0	0	0	112.6	P333 A337 Q338 F339	P333-G335 PolarHBondContact O-N 3.4Å; G335-A337 VanDerWaalsContact C-N 3.31Å; G335-A337 PolarHBondContact O-N 3.47Å; G335-Q338 PolarHBondContact O-N 2.83Å; G335-Q338 PolarHBondContact O-OE1 3.4Å; G335-F339 PolarHBondContact O-N 2.97Å
336	M	89.4	Confident	85.9	Confident	54 Å²	54	72.4 Å²	72.4	27%	0.266	37%	0.374	S	S	.	.	H	α-helix	trans	-51.4	-45.4	-178.7	-172.8	62.2	79.4	0	0	113.7	F339 K340 L356 F360	M336-F339 PolarHBondContact O-N 3.22Å; M336-K340 WeakPolarHBondContact O-CB 3.46Å; M336-K340 PolarHBondContact O-N 2.94Å; M336-L356 HydrophobicContact CE-CB 4.11Å; M336-L356 HydrophobicContact SD-CB 3.55Å; M336-L356 VanDerWaalsContact SD-CB 3.55Å; M336-L356 HydrophobicContact SD-CD1 4.14Å; M336-L356 HydrophobicContact SD-CD2 4.5Å; M336-L356 HydrophobicContact SD-CG 4.28Å; M336-F360 VanDerWaalsContact CA-CZ 3.46Å; M336-F360 HydrophobicContact CB-CE1 4.44Å; M336-F360 HydrophobicContact CB-CZ 4.3Å; M336-F360 HydrophobicContact CE-CB 3.81Å; M336-F360 HydrophobicContact CE-CD1 4.13Å; M336-F360 HydrophobicContact CE-CD2 3.36Å; M336-F360 HydrophobicContact CE-CE2 3.92Å; M336-F360 HydrophobicContact CE-CG 3.48Å; M336-F360 VanDerWaalsContact CE-CG 3.48Å; M336-F360 HydrophobicContact SD-CD2 3.59Å; M336-F360 VanDerWaalsContact SD-CD2 3.59Å; M336-F360 HydrophobicContact SD-CE2 3.52Å; M336-F360 VanDerWaalsContact SD-CE2 3.52Å; M336-F360 HydrophobicContact SD-CG 4.24Å; M336-F360 HydrophobicContact SD-CZ 4.13Å
337	A	89.1	Confident	86.2	Confident	72 Å²	72	67.7 Å²	67.7	60%	0.595	35%	0.352	S	S	*	.	H	α-helix	trans	-67	-41.6	-177.2	0	0	0	0	0	112.2	G335 R341	G335-A337 VanDerWaalsContact C-N 3.31Å; G335-A337 PolarHBondContact O-N 3.47Å; A337-R341 WeakPolarHBondContact O-CB 3.45Å; A337-R341 PolarHBondContact O-N 2.84Å
338	Q	88.8	Confident	86.6	Confident	97 Å²	97	68 Å²	68	45%	0.453	36%	0.362	S	S	.	.	H	α-helix	trans	-66.1	-43.3	177	-66.8	81.7	-4.3	0	0	110.5	V334 G335 R341 A342	V334-Q338 HydrophobicContact CG1-CB 4.35Å; G335-Q338 PolarHBondContact O-N 2.83Å; G335-Q338 PolarHBondContact O-OE1 3.4Å; Q338-R341 PolarHBondContact O-N 2.99Å; Q338-A342 WeakPolarHBondContact O-CB 2.96Å; Q338-A342 PolarHBondContact O-N 3.21Å
339	F	90.3	Very high	87	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-60.9	-51.7	176.8	-173.8	-82.2	0	0	0	111.4	F313 F320 M324 V334 G335 M336 R341 A342 V343 L351 L356 V359 F360 L371 F376	F313-F339 HydrophobicContact CE1-CZ 4.46Å; F313-F339 HydrophobicContact CZ-CZ 4.11Å; F320-F339 HydrophobicContact CE1-CE2 4.17Å; F320-F339 HydrophobicContact CE2-CD2 4.31Å; F320-F339 HydrophobicContact CE2-CE2 4.22Å; F320-F339 HydrophobicContact CE2-CZ 4.44Å; F320-F339 AromaticContact CZ-CD2 3.67Å; F320-F339 HydrophobicContact CZ-CD2 3.67Å; F320-F339 AromaticContact CZ-CE2 3.38Å; F320-F339 HydrophobicContact CZ-CE2 3.38Å; F320-F339 HydrophobicContact CZ-CG 4.42Å; F320-F339 AromaticContact CZ-CZ 3.88Å; F320-F339 HydrophobicContact CZ-CZ 3.88Å; M324-F339 HydrophobicContact CE-CD2 3.82Å; M324-F339 HydrophobicContact CE-CE2 4.38Å; V334-F339 HydrophobicContact CG1-CB 4.22Å; G335-F339 PolarHBondContact O-N 2.97Å; M336-F339 PolarHBondContact O-N 3.22Å; F339-R341 VanDerWaalsContact C-N 3.27Å; F339-R341 PolarHBondContact O-N 3.36Å; F339-A342 PolarHBondContact O-N 3.01Å; F339-V343 HydrophobicContact CD1-CG2 3.86Å; F339-V343 HydrophobicContact CE1-CG2 3.54Å; F339-V343 HydrophobicContact CZ-CG2 4.15Å; F339-V343 WeakPolarHBondContact O-CG2 3.25Å; F339-V343 PolarHBondContact O-N 2.63Å; F339-L351 HydrophobicContact CE1-CD1 4.49Å; F339-L356 HydrophobicContact CD1-CD2 3.55Å; F339-L356 HydrophobicContact CE1-CD2 3.52Å; F339-V359 HydrophobicContact CZ-CG1 4.4Å; F339-F360 HydrophobicContact CB-CE2 3.79Å; F339-F360 HydrophobicContact CB-CZ 3.68Å; F339-F360 HydrophobicContact CD1-CE2 4.01Å; F339-F360 HydrophobicContact CD2-CE2 4.11Å; F339-F360 HydrophobicContact CD2-CZ 4.32Å; F339-F360 AromaticContact CG-CE2 3.72Å; F339-F360 HydrophobicContact CG-CE2 3.72Å; F339-F360 HydrophobicContact CG-CZ 4.03Å; F339-L371 HydrophobicContact CD2-CD1 3.53Å; F339-L371 HydrophobicContact CE2-CD1 3.52Å; F339-L371 HydrophobicContact CG-CD1 4.35Å; F339-L371 HydrophobicContact CZ-CD1 4.36Å; F339-F376 HydrophobicContact CE2-CD1 4.37Å; F339-F376 AromaticContact CE2-CE1 3.83Å; F339-F376 HydrophobicContact CE2-CE1 3.83Å; F339-F376 HydrophobicContact CE2-CE2 4.25Å; F339-F376 AromaticContact CE2-CZ 3.74Å; F339-F376 HydrophobicContact CE2-CZ 3.74Å; F339-F376 HydrophobicContact CZ-CE1 4.16Å; F339-F376 HydrophobicContact CZ-CE2 4.25Å; F339-F376 AromaticContact CZ-CZ 3.68Å; F339-F376 HydrophobicContact CZ-CZ 3.68Å
340	K	91.7	Very high	87.5	Confident	57 Å²	57	68.5 Å²	68.5	25%	0.248	36%	0.361	C	S	.	.	H	α-helix	trans	-55.6	-43.2	177.9	-174.4	175.4	-176.4	177.2	0	111.6	M336 V343 K344 E350 E353 L356	M336-K340 WeakPolarHBondContact O-CB 3.46Å; M336-K340 PolarHBondContact O-N 2.94Å; K340-V343 PolarHBondContact O-N 3.13Å; K340-K344 WeakPolarHBondContact O-CB 3.22Å; K340-K344 PolarHBondContact O-N 3.49Å; K340-E350 WeakPolarHBondContact CE-OE2 3.49Å; K340-E350 IonicContact NZ-OE2 3.85Å; K340-E353 IonicContact NZ-OE1 3.72Å; K340-E353 PolarHBondContact NZ-OE1 3.07Å; K340-L356 HydrophobicContact CB-CD1 4.03Å; K340-L356 HydrophobicContact CD-CD1 4.02Å; K340-L356 HydrophobicContact CG-CD1 3.97Å
341	R	89.8	Confident	88	Confident	180 Å²	180	66.1 Å²	66.1	68%	0.679	34%	0.34	S	S	*	.	H	α-helix	trans	-64	-44	175.9	-175.7	175.7	-178.3	-105.7	0.5	112.2	A337 Q338 F339 K344 I345	A337-R341 WeakPolarHBondContact O-CB 3.45Å; A337-R341 PolarHBondContact O-N 2.84Å; Q338-R341 PolarHBondContact O-N 2.99Å; F339-R341 VanDerWaalsContact C-N 3.27Å; F339-R341 PolarHBondContact O-N 3.36Å; R341-K344 PolarHBondContact O-N 2.99Å; R341-I345 HydrophobicContact CG-CD1 4.03Å; R341-I345 VanDerWaalsContact O-CG1 3.31Å; R341-I345 WeakPolarHBondContact O-CG1 3.43Å; R341-I345 PolarHBondContact O-N 3.45Å
342	A	89.7	Confident	88.8	Confident	11 Å²	11	60.4 Å²	60.4	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-41	178	0	0	0	0	0	111.8	F320 Q338 F339 I345 A346	F320-A342 HydrophobicContact CD2-CB 3.89Å; F320-A342 HydrophobicContact CE2-CB 3.63Å; Q338-A342 WeakPolarHBondContact O-CB 2.96Å; Q338-A342 PolarHBondContact O-N 3.21Å; F339-A342 PolarHBondContact O-N 3.01Å; A342-I345 PolarHBondContact O-N 3.02Å; A342-A346 WeakPolarHBondContact O-CB 3.2Å; A342-A346 PolarHBondContact O-N 2.75Å
343	V	91.8	Very high	89.5	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.006	30%	0.303	C	S	.	.	H	α-helix	trans	-63.3	-42.6	174.4	178	0	0	0	0	111.5	F313 F320 F339 K340 I345 A346 T347 L351	F313-V343 HydrophobicContact CB-CG1 4.13Å; F313-V343 HydrophobicContact CD2-CB 4.33Å; F313-V343 HydrophobicContact CD2-CG1 3.82Å; F313-V343 HydrophobicContact CD2-CG2 3.79Å; F313-V343 HydrophobicContact CE2-CG2 3.76Å; F313-V343 HydrophobicContact CG-CG1 4.14Å; F313-V343 HydrophobicContact CG-CG2 4.44Å; F313-V343 HydrophobicContact CZ-CG2 4.38Å; F320-V343 HydrophobicContact CD2-CG2 4.05Å; F320-V343 HydrophobicContact CE2-CG2 3.62Å; F320-V343 HydrophobicContact CZ-CG2 4.45Å; F339-V343 HydrophobicContact CD1-CG2 3.86Å; F339-V343 HydrophobicContact CE1-CG2 3.54Å; F339-V343 HydrophobicContact CZ-CG2 4.15Å; F339-V343 WeakPolarHBondContact O-CG2 3.25Å; F339-V343 PolarHBondContact O-N 2.63Å; K340-V343 PolarHBondContact O-N 3.13Å; V343-I345 VanDerWaalsContact C-N 3.3Å; V343-I345 PolarHBondContact O-N 3.12Å; V343-A346 PolarHBondContact O-N 2.97Å; V343-T347 HydrophobicContact CG1-CG2 4.17Å; V343-T347 WeakPolarHBondContact O-CB 3.32Å; V343-T347 PolarHBondContact O-N 2.67Å; V343-T347 PolarHBondContact O-OG1 2.9Å; V343-L351 HydrophobicContact CB-CD1 4.47Å; V343-L351 HydrophobicContact CG1-CD1 3.84Å; V343-L351 HydrophobicContact CG1-CG 3.83Å; V343-L351 HydrophobicContact CG2-CD1 4.14Å
344	K	91.8	Very high	90.1	Very high	85 Å²	85	54.1 Å²	54.1	37%	0.37	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-38.5	176.7	-177.5	55.8	161.9	-172.3	0	112.5	K340 R341 G348 H349 E350	K340-K344 WeakPolarHBondContact O-CB 3.22Å; K340-K344 PolarHBondContact O-N 3.49Å; R341-K344 PolarHBondContact O-N 2.99Å; K344-G348 PolarHBondContact NZ-O 2.78Å; K344-G348 VanDerWaalsContact O-CA 3.23Å; K344-G348 WeakPolarHBondContact O-CA 3.3Å; K344-G348 PolarHBondContact O-N 2.9Å; K344-H349 WeakPolarHBondContact CA-O 3.47Å; K344-E350 HydrophobicContact CB-CG 4.45Å; K344-E350 HydrophobicContact CD-CG 3.65Å; K344-E350 HydrophobicContact CG-CG 4.24Å
345	I	88.9	Confident	90.5	Very high	105 Å²	105	53.9 Å²	53.9	54%	0.538	28%	0.283	S	S	.	.	H	α-helix	trans	-67.8	-45.7	175.9	-68.9	165.7	0	0	0	110.9	R341 A342 V343	R341-I345 HydrophobicContact CG-CD1 4.03Å; R341-I345 VanDerWaalsContact O-CG1 3.31Å; R341-I345 WeakPolarHBondContact O-CG1 3.43Å; R341-I345 PolarHBondContact O-N 3.45Å; A342-I345 PolarHBondContact O-N 3.02Å; V343-I345 VanDerWaalsContact C-N 3.3Å; V343-I345 PolarHBondContact O-N 3.12Å
346	A	87.5	Confident	90.7	Very high	15 Å²	15	53.4 Å²	53.4	12%	0.124	28%	0.277	C	S	.	.	H	α-helix	trans	-70.9	-34.4	-176.6	0	0	0	0	0	113.2	D319 F320 A342 V343	D319-A346 HydrophobicContact CB-CB 4.24Å; F320-A346 HydrophobicContact CB-CB 3.94Å; A342-A346 WeakPolarHBondContact O-CB 3.2Å; A342-A346 PolarHBondContact O-N 2.75Å; V343-A346 PolarHBondContact O-N 2.97Å
347	T	87.6	Confident	90.8	Very high	23 Å²	23	53 Å²	53	14%	0.141	28%	0.277	C	S	.	.	H	α-helix	trans	-112.5	-21.4	-170.7	66.1	0	0	0	0	114.3	F313 N316 V343 H349	F313-T347 HydrophobicContact CB-CG2 3.99Å; F313-T347 HydrophobicContact CD2-CG2 4.39Å; N316-T347 HydrophobicContact CB-CG2 4.3Å; V343-T347 HydrophobicContact CG1-CG2 4.17Å; V343-T347 WeakPolarHBondContact O-CB 3.32Å; V343-T347 PolarHBondContact O-N 2.67Å; V343-T347 PolarHBondContact O-OG1 2.9Å; T347-H349 PolarHBondContact O-CD2 2.88Å; T347-H349 VanDerWaalsContact O-CD2 3.27Å; T347-H349 PolarHBondContact O-N 3.29Å; T347-H349 PolarHBondContact OG1-N 3.04Å; T347-H349 PolarHBondContact OG1-O 3.4Å; T347-H349 VanDerWaalsContact OG1-O 3.12Å
348	G	89	Confident	90.8	Very high	43 Å²	43	49.6 Å²	49.6	44%	0.443	25%	0.248	S	C	.	.	S	Bend	trans	75.4	-4.5	-165.9	0	0	0	0	0	114.4	K344	K344-G348 PolarHBondContact NZ-O 2.78Å; K344-G348 VanDerWaalsContact O-CA 3.23Å; K344-G348 WeakPolarHBondContact O-CA 3.3Å; K344-G348 PolarHBondContact O-N 2.9Å
349	H	88.9	Confident	90.9	Very high	92 Å²	92	45 Å²	45	43%	0.426	23%	0.227	S	C	.	.	S	Bend	trans	-113.8	155	-179	-66.4	-88.7	0	0	0	111.8	L312 K344 T347	L312-H349 WeakPolarHBondContact CD2-CD2 3.38Å; K344-H349 WeakPolarHBondContact CA-O 3.47Å; T347-H349 PolarHBondContact O-CD2 2.88Å; T347-H349 VanDerWaalsContact O-CD2 3.27Å; T347-H349 PolarHBondContact O-N 3.29Å; T347-H349 PolarHBondContact OG1-N 3.04Å; T347-H349 PolarHBondContact OG1-O 3.4Å; T347-H349 VanDerWaalsContact OG1-O 3.12Å
350	E	92.1	Very high	90.8	Very high	108 Å²	108	45.5 Å²	45.5	51%	0.505	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-103.1	135.2	173.3	-64.6	-172.2	-165.6	0	0	109.5	K340 K344	K340-E350 WeakPolarHBondContact CE-OE2 3.49Å; K340-E350 IonicContact NZ-OE2 3.85Å; K344-E350 HydrophobicContact CB-CG 4.45Å; K344-E350 HydrophobicContact CD-CG 3.65Å; K344-E350 HydrophobicContact CG-CG 4.24Å
351	L	94.6	Very high	90.6	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-78.9	148.4	169.1	-61.9	176.3	0	0	0	109.6	A309 F310 F313 F339 V343 L356	A309-L351 HydrophobicContact CB-CD2 4.1Å; F310-L351 HydrophobicContact CB-CD2 4.26Å; F310-L351 HydrophobicContact CD2-CD1 3.92Å; F310-L351 HydrophobicContact CD2-CD2 4.32Å; F310-L351 HydrophobicContact CE2-CD1 4.38Å; F313-L351 HydrophobicContact CB-CD1 4.48Å; F313-L351 HydrophobicContact CB-CD2 4.44Å; F313-L351 HydrophobicContact CD1-CD1 4.33Å; F313-L351 HydrophobicContact CG-CD1 4.36Å; F339-L351 HydrophobicContact CE1-CD1 4.49Å; V343-L351 HydrophobicContact CB-CD1 4.47Å; V343-L351 HydrophobicContact CG1-CD1 3.84Å; V343-L351 HydrophobicContact CG1-CG 3.83Å; V343-L351 HydrophobicContact CG2-CD1 4.14Å; L351-L356 HydrophobicContact CB-CD1 4.28Å; L351-L356 HydrophobicContact CB-CD2 3.92Å; L351-L356 HydrophobicContact CB-CG 3.84Å; L351-L356 HydrophobicContact CD1-CD2 3.84Å
352	S	94.5	Very high	90.4	Very high	36 Å²	36	36.6 Å²	36.6	25%	0.252	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-68.5	150.2	175.4	72	0	0	0	0	110.8	E306 N354 V355 L356	E306-S352 VanDerWaalsContact OE1-CB 3.24Å; E306-S352 WeakPolarHBondContact OE1-CB 3.37Å; E306-S352 PolarHBondContact OE1-OG 3.4Å; S352-N354 PolarHBondContact O-N 2.91Å; S352-N354 VanDerWaalsContact O-N 3.17Å; S352-V355 PolarHBondContact O-N 2.78Å; S352-V355 VanDerWaalsContact O-N 3.16Å; S352-V355 WeakPolarHBondContact OG-CG2 3.35Å; S352-V355 PolarHBondContact OG-N 3.47Å; S352-L356 WeakPolarHBondContact O-CG 3.23Å; S352-L356 PolarHBondContact O-N 3.2Å
353	E	92.4	Very high	90.2	Very high	102 Å²	102	36.2 Å²	36.2	48%	0.477	19%	0.192	S	C	.	.	H	α-helix	trans	-57.5	-30	174.3	-61.9	-58	141.8	0	0	111.6	K340 D357	K340-E353 IonicContact NZ-OE1 3.72Å; K340-E353 PolarHBondContact NZ-OE1 3.07Å; E353-D357 WeakPolarHBondContact O-CB 3.36Å; E353-D357 PolarHBondContact O-N 3.28Å
354	N	91.7	Very high	89.8	Confident	32 Å²	32	36.5 Å²	36.5	17%	0.171	19%	0.193	C	C	.	.	H	α-helix	trans	-63.3	-47.5	177.2	-178.4	38.5	0	0	0	112.2	R269 S301 E306 S352 T358	R269-N354 PolarHBondContact NE-OD1 3.3Å; R269-N354 PolarHBondContact NH2-O 3.38Å; R269-N354 PolarHBondContact NH2-OD1 3.38Å; S301-N354 PolarHBondContact O-ND2 2.97Å; E306-N354 WeakPolarHBondContact OE1-CB 3.1Å; E306-N354 PolarHBondContact OE1-ND2 3.43Å; S352-N354 PolarHBondContact O-N 2.91Å; S352-N354 VanDerWaalsContact O-N 3.17Å; N354-T358 PolarHBondContact O-N 2.91Å; N354-T358 PolarHBondContact O-OG1 3.28Å
355	V	93.6	Very high	89	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.3	-45.5	176.1	171.7	0	0	0	0	110.6	F272 I302 E306 F310 S352 T358 V359	F272-V355 HydrophobicContact CE1-CG1 4.46Å; F272-V355 HydrophobicContact CZ-CG1 4.18Å; I302-V355 HydrophobicContact CD1-CG2 4.29Å; I302-V355 HydrophobicContact CG1-CG2 4.32Å; I302-V355 HydrophobicContact CG2-CG2 4.11Å; E306-V355 HydrophobicContact CB-CG2 3.82Å; E306-V355 HydrophobicContact CG-CG2 4.47Å; F310-V355 HydrophobicContact CB-CG1 4.26Å; F310-V355 HydrophobicContact CD2-CG1 3.49Å; F310-V355 VanDerWaalsContact CD2-CG1 3.49Å; F310-V355 HydrophobicContact CE2-CG1 4.16Å; F310-V355 HydrophobicContact CG-CG1 4.11Å; S352-V355 PolarHBondContact O-N 2.78Å; S352-V355 VanDerWaalsContact O-N 3.16Å; S352-V355 WeakPolarHBondContact OG-CG2 3.35Å; S352-V355 PolarHBondContact OG-N 3.47Å; V355-T358 WeakPolarHBondContact O-CB 3.16Å; V355-T358 PolarHBondContact O-N 2.73Å; V355-V359 HydrophobicContact CG1-CG2 4.35Å; V355-V359 WeakPolarHBondContact O-CG2 3.44Å; V355-V359 PolarHBondContact O-N 2.8Å
356	L	92.3	Very high	88.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-46.8	-178.6	-71.6	176.5	0	0	0	112.5	M336 F339 K340 L351 S352 T358 V359 F360	M336-L356 HydrophobicContact CE-CB 4.11Å; M336-L356 HydrophobicContact SD-CB 3.55Å; M336-L356 VanDerWaalsContact SD-CB 3.55Å; M336-L356 HydrophobicContact SD-CD1 4.14Å; M336-L356 HydrophobicContact SD-CD2 4.5Å; M336-L356 HydrophobicContact SD-CG 4.28Å; F339-L356 HydrophobicContact CD1-CD2 3.55Å; F339-L356 HydrophobicContact CE1-CD2 3.52Å; K340-L356 HydrophobicContact CB-CD1 4.03Å; K340-L356 HydrophobicContact CD-CD1 4.02Å; K340-L356 HydrophobicContact CG-CD1 3.97Å; L351-L356 HydrophobicContact CB-CD1 4.28Å; L351-L356 HydrophobicContact CB-CD2 3.92Å; L351-L356 HydrophobicContact CB-CG 3.84Å; L351-L356 HydrophobicContact CD1-CD2 3.84Å; S352-L356 WeakPolarHBondContact O-CG 3.23Å; S352-L356 PolarHBondContact O-N 3.2Å; L356-T358 VanDerWaalsContact C-N 3.25Å; L356-T358 PolarHBondContact O-N 3.23Å; L356-V359 PolarHBondContact O-N 3.26Å; L356-F360 WeakPolarHBondContact O-CD2 3.47Å; L356-F360 PolarHBondContact O-N 3.34Å
357	D	90.4	Very high	88	Confident	47 Å²	47	37.5 Å²	37.5	25%	0.251	21%	0.21	S	C	.	.	H	α-helix	trans	-58.4	-38.3	174.8	174.9	67.7	0	0	0	111.8	R269 E353 K361	R269-D357 IonicContact CZ-OD2 2.62Å; R269-D357 IonicContact NH1-OD2 2.69Å; R269-D357 PolarHBondContact NH1-OD2 2.94Å; R269-D357 IonicContact NH2-OD2 3.18Å; R269-D357 PolarHBondContact NH2-OD2 3.02Å; E353-D357 WeakPolarHBondContact O-CB 3.36Å; E353-D357 PolarHBondContact O-N 3.28Å; D357-K361 WeakPolarHBondContact O-CB 3.28Å; D357-K361 VanDerWaalsContact O-CG 3.3Å; D357-K361 WeakPolarHBondContact O-CG 3.38Å; D357-K361 PolarHBondContact O-N 3.36Å; D357-K361 WeakPolarHBondContact OD1-CE 3.45Å; D357-K361 IonicContact OD1-NZ 2.75Å; D357-K361 PolarHBondContact OD1-NZ 3.3Å; D357-K361 IonicContact OD2-NZ 2.85Å; D357-K361 PolarHBondContact OD2-NZ 3.23Å
358	T	90.3	Very high	87.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.7	-46.2	175.2	-57.9	0	0	0	0	111.7	R269 F272 I296 N354 V355 L356 K361 L362	R269-T358 HydrophobicContact CB-CG2 4.2Å; R269-T358 VanDerWaalsContact CD-OG1 3.25Å; R269-T358 WeakPolarHBondContact CD-OG1 3.49Å; R269-T358 HydrophobicContact CG-CG2 4.38Å; R269-T358 WeakPolarHBondContact CG-OG1 3.34Å; R269-T358 PolarHBondContact NE-OG1 3.29Å; R269-T358 PolarHBondContact NH1-OG1 3.05Å; F272-T358 HydrophobicContact CD1-CG2 3.81Å; F272-T358 HydrophobicContact CE1-CG2 4.3Å; I296-T358 HydrophobicContact CD1-CG2 3.99Å; N354-T358 PolarHBondContact O-N 2.91Å; N354-T358 PolarHBondContact O-OG1 3.28Å; V355-T358 WeakPolarHBondContact O-CB 3.16Å; V355-T358 PolarHBondContact O-N 2.73Å; L356-T358 VanDerWaalsContact C-N 3.25Å; L356-T358 PolarHBondContact O-N 3.23Å; T358-K361 PolarHBondContact O-N 3.35Å; T358-L362 WeakPolarHBondContact O-CB 3.43Å; T358-L362 PolarHBondContact O-N 2.65Å
359	V	90.4	Very high	87.4	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-62.8	-46.6	178.6	171	0	0	0	0	111.1	F272 F310 F339 V355 L356 L362 F363 L371 F376	F272-V359 HydrophobicContact CE1-CG2 4.32Å; F310-V359 HydrophobicContact CE2-CG2 3.69Å; F310-V359 HydrophobicContact CZ-CG2 4.09Å; F339-V359 HydrophobicContact CZ-CG1 4.4Å; V355-V359 HydrophobicContact CG1-CG2 4.35Å; V355-V359 WeakPolarHBondContact O-CG2 3.44Å; V355-V359 PolarHBondContact O-N 2.8Å; L356-V359 PolarHBondContact O-N 3.26Å; V359-L362 PolarHBondContact O-N 3.09Å; V359-F363 HydrophobicContact CG1-CD2 3.84Å; V359-F363 HydrophobicContact CG1-CE2 4.18Å; V359-F363 VanDerWaalsContact O-CD2 3.25Å; V359-F363 WeakPolarHBondContact O-CD2 3.48Å; V359-F363 PolarHBondContact O-N 2.99Å; V359-L371 HydrophobicContact CG1-CD1 4.33Å; V359-F376 HydrophobicContact CG1-CD2 4.32Å; V359-F376 HydrophobicContact CG1-CE2 3.68Å
360	F	88.6	Confident	87.2	Confident	9 Å²	9	40.4 Å²	40.4	4%	0.039	22%	0.219	C	C	.	.	H	α-helix	trans	-63.5	-47.2	177.9	-88.7	-107.3	0	0	0	111.2	M336 F339 L356 L362 F363 D364 N369 L371	M336-F360 VanDerWaalsContact CA-CZ 3.46Å; M336-F360 HydrophobicContact CB-CE1 4.44Å; M336-F360 HydrophobicContact CB-CZ 4.3Å; M336-F360 HydrophobicContact CE-CB 3.81Å; M336-F360 HydrophobicContact CE-CD1 4.13Å; M336-F360 HydrophobicContact CE-CD2 3.36Å; M336-F360 HydrophobicContact CE-CE2 3.92Å; M336-F360 HydrophobicContact CE-CG 3.48Å; M336-F360 VanDerWaalsContact CE-CG 3.48Å; M336-F360 HydrophobicContact SD-CD2 3.59Å; M336-F360 VanDerWaalsContact SD-CD2 3.59Å; M336-F360 HydrophobicContact SD-CE2 3.52Å; M336-F360 VanDerWaalsContact SD-CE2 3.52Å; M336-F360 HydrophobicContact SD-CG 4.24Å; M336-F360 HydrophobicContact SD-CZ 4.13Å; F339-F360 HydrophobicContact CB-CE2 3.79Å; F339-F360 HydrophobicContact CB-CZ 3.68Å; F339-F360 HydrophobicContact CD1-CE2 4.01Å; F339-F360 HydrophobicContact CD2-CE2 4.11Å; F339-F360 HydrophobicContact CD2-CZ 4.32Å; F339-F360 AromaticContact CG-CE2 3.72Å; F339-F360 HydrophobicContact CG-CE2 3.72Å; F339-F360 HydrophobicContact CG-CZ 4.03Å; L356-F360 WeakPolarHBondContact O-CD2 3.47Å; L356-F360 PolarHBondContact O-N 3.34Å; F360-L362 PolarHBondContact O-N 2.81Å; F360-F363 PolarHBondContact O-N 3.29Å; F360-D364 WeakPolarHBondContact O-CA 3.29Å; F360-D364 WeakPolarHBondContact O-CB 3.3Å; F360-D364 PolarHBondContact O-N 3.48Å; F360-N369 WeakPolarHBondContact CE1-O 3.24Å; F360-L371 HydrophobicContact CD1-CD1 4.36Å; F360-L371 HydrophobicContact CD1-CD2 4.38Å; F360-L371 HydrophobicContact CD1-CG 3.93Å; F360-L371 HydrophobicContact CD2-CD1 3.79Å; F360-L371 HydrophobicContact CD2-CG 4.25Å; F360-L371 HydrophobicContact CE1-CD1 4.06Å; F360-L371 HydrophobicContact CE1-CG 3.69Å; F360-L371 HydrophobicContact CE2-CD1 3.45Å; F360-L371 VanDerWaalsContact CE2-CD1 3.45Å; F360-L371 HydrophobicContact CE2-CG 4.03Å; F360-L371 HydrophobicContact CG-CD1 4.25Å; F360-L371 HydrophobicContact CG-CD2 4.47Å; F360-L371 HydrophobicContact CG-CG 4.21Å; F360-L371 HydrophobicContact CZ-CD1 3.58Å; F360-L371 HydrophobicContact CZ-CG 3.74Å
361	K	86.3	Confident	86.8	Confident	50 Å²	50	35.7 Å²	35.7	22%	0.217	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-29.6	176.8	-77.2	169.4	172.4	155	0	113.8	K295 I296 D357 T358	K295-K361 HydrophobicContact CB-CB 4.23Å; K295-K361 HydrophobicContact CB-CD 4.43Å; K295-K361 HydrophobicContact CB-CG 4.22Å; K295-K361 WeakPolarHBondContact O-CD 3.12Å; K295-K361 WeakPolarHBondContact O-CE 3.5Å; I296-K361 HydrophobicContact CG1-CB 4.4Å; D357-K361 WeakPolarHBondContact O-CB 3.28Å; D357-K361 VanDerWaalsContact O-CG 3.3Å; D357-K361 WeakPolarHBondContact O-CG 3.38Å; D357-K361 PolarHBondContact O-N 3.36Å; D357-K361 WeakPolarHBondContact OD1-CE 3.45Å; D357-K361 IonicContact OD1-NZ 2.75Å; D357-K361 PolarHBondContact OD1-NZ 3.3Å; D357-K361 IonicContact OD2-NZ 2.85Å; D357-K361 PolarHBondContact OD2-NZ 3.23Å; T358-K361 PolarHBondContact O-N 3.35Å
362	L	86.3	Confident	85.9	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-75	-48.5	178.1	-170.4	64.3	0	0	0	111.4	A273 L276 L277 Y288 M292 T358 V359 F360	A273-L362 HydrophobicContact CB-CD1 4.02Å; A273-L362 HydrophobicContact CB-CD2 4.04Å; L276-L362 HydrophobicContact CD2-CD2 3.93Å; L277-L362 HydrophobicContact CD1-CD1 4.3Å; Y288-L362 WeakPolarHBondContact CD1-O 3.32Å; M292-L362 HydrophobicContact CB-CD1 4.27Å; T358-L362 WeakPolarHBondContact O-CB 3.43Å; T358-L362 PolarHBondContact O-N 2.65Å; V359-L362 PolarHBondContact O-N 3.09Å; F360-L362 PolarHBondContact O-N 2.81Å
363	F	84.7	Confident	85	Confident	3 Å²	3	38.6 Å²	38.6	1%	0.013	21%	0.212	C	C	.	.	H	α-helix	trans	-100.7	-7.6	-170.9	-62.7	-65.5	0	0	0	115.5	L276 L277 Y288 V359 F360 M365 L371 F376 V379	L276-F363 HydrophobicContact CD2-CE2 3.43Å; L276-F363 VanDerWaalsContact CD2-CE2 3.43Å; L276-F363 HydrophobicContact CD2-CZ 3.52Å; L276-F363 HydrophobicContact CG-CZ 4.18Å; L277-F363 HydrophobicContact CD2-CE1 4.34Å; Y288-F363 HydrophobicContact CD1-CD1 4.29Å; Y288-F363 AromaticContact CE1-CD1 3.68Å; Y288-F363 HydrophobicContact CE1-CD1 3.68Å; Y288-F363 HydrophobicContact CE1-CE1 4.24Å; V359-F363 HydrophobicContact CG1-CD2 3.84Å; V359-F363 HydrophobicContact CG1-CE2 4.18Å; V359-F363 VanDerWaalsContact O-CD2 3.25Å; V359-F363 WeakPolarHBondContact O-CD2 3.48Å; V359-F363 PolarHBondContact O-N 2.99Å; F360-F363 PolarHBondContact O-N 3.29Å; F363-M365 PolarHBondContact O-N 3.16Å; F363-L371 HydrophobicContact CB-CD2 3.52Å; F363-F376 AromaticContact CD2-CD2 3.61Å; F363-F376 HydrophobicContact CD2-CD2 3.61Å; F363-F376 HydrophobicContact CD2-CE2 4.02Å; F363-F376 AromaticContact CE2-CD2 3.87Å; F363-F376 HydrophobicContact CE2-CD2 3.87Å; F363-F376 AromaticContact CE2-CE2 3.98Å; F363-F376 HydrophobicContact CE2-CE2 3.98Å; F363-F376 HydrophobicContact CG-CD2 4.09Å; F363-V379 HydrophobicContact CE1-CB 3.84Å; F363-V379 HydrophobicContact CE1-CG1 3.57Å; F363-V379 HydrophobicContact CE1-CG2 3.87Å; F363-V379 HydrophobicContact CZ-CB 4.18Å; F363-V379 HydrophobicContact CZ-CG1 3.52Å
364	D	83.9	Confident	84.1	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.037	23%	0.227	C	C	.	.			trans	-79	98.1	171.7	178.7	4.4	0	0	0	109.7	K295 F360 D366 G367 D368 N369	K295-D364 PolarHBondContact NZ-O 2.87Å; F360-D364 WeakPolarHBondContact O-CA 3.29Å; F360-D364 WeakPolarHBondContact O-CB 3.3Å; F360-D364 PolarHBondContact O-N 3.48Å; D364-D366 VanDerWaalsContact OD1-OD1 3.07Å; D364-G367 WeakPolarHBondContact OD1-CA 3.34Å; D364-G367 PolarHBondContact OD1-N 3.15Å; D364-G367 WeakPolarHBondContact OD2-CA 3.45Å; D364-D368 PolarHBondContact OD1-N 2.83Å; D364-N369 VanDerWaalsContact OD2-CA 3.28Å; D364-N369 WeakPolarHBondContact OD2-CA 3.38Å; D364-N369 PolarHBondContact OD2-N 3.39Å
365	M	75.5	Confident	83.1	Confident	62 Å²	62	44.7 Å²	44.7	31%	0.305	24%	0.237	S	C	.	.	S	Bend	trans	-85.9	-35.1	-173.5	-64.9	-66.3	-68.5	0	0	112.7	I287 Y288 N291 F363	I287-M365 HydrophobicContact CB-CE 3.79Å; I287-M365 HydrophobicContact CD1-CE 4.1Å; I287-M365 HydrophobicContact CG2-CE 3.2Å; I287-M365 HydrophobicContact CG2-SD 4.14Å; Y288-M365 HydrophobicContact CD1-SD 3.91Å; Y288-M365 HydrophobicContact CE1-CG 4.44Å; Y288-M365 HydrophobicContact CE1-SD 3.67Å; N291-M365 PolarHBondContact ND2-SD 3.48Å; N291-M365 VanDerWaalsContact ND2-SD 3.44Å; F363-M365 PolarHBondContact O-N 3.16Å
366	D	77.2	Confident	82.6	Confident	123 Å²	123	44.9 Å²	44.9	66%	0.658	24%	0.237	S	C	*	.	S	Bend	trans	-95.2	-8.9	-177.9	57	2.3	0	0	0	113.2	D364 D368	D364-D366 VanDerWaalsContact OD1-OD1 3.07Å; D366-D368 VanDerWaalsContact C-N 3.34Å; D366-D368 VanDerWaalsContact OD1-CG 3.3Å; D366-D368 PolarHBondContact OD1-N 2.93Å; D366-D368 VanDerWaalsContact OD1-OD1 3.13Å
367	G	77.6	Confident	82.2	Confident	41 Å²	41	45.7 Å²	45.7	42%	0.423	24%	0.242	S	C	.	.	S	Bend	trans	78.2	18.7	177.1	0	0	0	0	0	113.3	D364 N369	D364-G367 WeakPolarHBondContact OD1-CA 3.34Å; D364-G367 PolarHBondContact OD1-N 3.15Å; D364-G367 WeakPolarHBondContact OD2-CA 3.45Å; G367-N369 PolarHBondContact O-N 3.06Å
368	D	82.5	Confident	81.7	Confident	80 Å²	80	45.2 Å²	45.2	43%	0.428	25%	0.247	S	C	.	.	S	Bend	trans	-83.7	1.7	-177.7	82.6	-14.4	0	0	0	113.2	D364 D366 C370	D364-D368 PolarHBondContact OD1-N 2.83Å; D366-D368 VanDerWaalsContact C-N 3.34Å; D366-D368 VanDerWaalsContact OD1-CG 3.3Å; D366-D368 PolarHBondContact OD1-N 2.93Å; D366-D368 VanDerWaalsContact OD1-OD1 3.13Å; D368-C370 PolarHBondContact O-N 3.45Å; D368-C370 VanDerWaalsContact OD1-CA 3.29Å; D368-C370 WeakPolarHBondContact OD1-CA 3.15Å; D368-C370 WeakPolarHBondContact OD1-CB 3.46Å; D368-C370 PolarHBondContact OD1-N 2.96Å
369	N	82.4	Confident	81.3	Confident	116 Å²	116	45.8 Å²	45.8	62%	0.62	25%	0.251	S	S	*	.	S	Bend	trans	58.7	25.1	-173.2	-58.2	-76.9	0	0	0	114	F360 D364 G367	F360-N369 WeakPolarHBondContact CE1-O 3.24Å; D364-N369 VanDerWaalsContact OD2-CA 3.28Å; D364-N369 WeakPolarHBondContact OD2-CA 3.38Å; D364-N369 PolarHBondContact OD2-N 3.39Å; G367-N369 PolarHBondContact O-N 3.06Å
370	C	84.5	Confident	81.1	Confident	22 Å²	22	45.7 Å²	45.7	15%	0.149	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-120.2	157.7	175	-55.3	0	0	0	0	110.3	P333 V334 D368	P333-C370 HydrophobicContact CB-CB 4.2Å; V334-C370 VanDerWaalsContact O-CA 3.31Å; V334-C370 WeakPolarHBondContact O-CA 3.27Å; D368-C370 PolarHBondContact O-N 3.45Å; D368-C370 VanDerWaalsContact OD1-CA 3.29Å; D368-C370 WeakPolarHBondContact OD1-CA 3.15Å; D368-C370 WeakPolarHBondContact OD1-CB 3.46Å; D368-C370 PolarHBondContact OD1-N 2.96Å
371	L	83	Confident	81	Confident	10 Å²	10	48 Å²	48	5%	0.052	27%	0.265	C	S	.	.			trans	-107	126.6	177.2	-71.4	178	0	0	0	110.6	V334 F339 V359 F360 F363 H373 F376	V334-L371 PolarHBondContact O-N 3.26Å; F339-L371 HydrophobicContact CD2-CD1 3.53Å; F339-L371 HydrophobicContact CE2-CD1 3.52Å; F339-L371 HydrophobicContact CG-CD1 4.35Å; F339-L371 HydrophobicContact CZ-CD1 4.36Å; V359-L371 HydrophobicContact CG1-CD1 4.33Å; F360-L371 HydrophobicContact CD1-CD1 4.36Å; F360-L371 HydrophobicContact CD1-CD2 4.38Å; F360-L371 HydrophobicContact CD1-CG 3.93Å; F360-L371 HydrophobicContact CD2-CD1 3.79Å; F360-L371 HydrophobicContact CD2-CG 4.25Å; F360-L371 HydrophobicContact CE1-CD1 4.06Å; F360-L371 HydrophobicContact CE1-CG 3.69Å; F360-L371 HydrophobicContact CE2-CD1 3.45Å; F360-L371 VanDerWaalsContact CE2-CD1 3.45Å; F360-L371 HydrophobicContact CE2-CG 4.03Å; F360-L371 HydrophobicContact CG-CD1 4.25Å; F360-L371 HydrophobicContact CG-CD2 4.47Å; F360-L371 HydrophobicContact CG-CG 4.21Å; F360-L371 HydrophobicContact CZ-CD1 3.58Å; F360-L371 HydrophobicContact CZ-CG 3.74Å; F363-L371 HydrophobicContact CB-CD2 3.52Å; L371-H373 PolarHBondContact O-N 3.28Å; L371-F376 HydrophobicContact CD1-CD2 4.43Å
372	S	75.6	Confident	80.8	Confident	48 Å²	48	47.8 Å²	47.8	34%	0.336	27%	0.267	S	S	.	.			trans	-72.9	128.4	170.2	98.2	0	0	0	0	109.6	K374 E375 F376	S372-K374 PolarHBondContact O-N 2.95Å; S372-E375 WeakPolarHBondContact CB-OE2 3.45Å; S372-E375 VanDerWaalsContact OG-CB 3.3Å; S372-E375 WeakPolarHBondContact OG-CB 3.31Å; S372-E375 VanDerWaalsContact OG-CD 3.23Å; S372-E375 VanDerWaalsContact OG-CG 3.29Å; S372-E375 WeakPolarHBondContact OG-CG 3.43Å; S372-E375 PolarHBondContact OG-N 3.41Å; S372-E375 PolarHBondContact OG-OE2 3.41Å; S372-F376 WeakPolarHBondContact O-CB 3.28Å; S372-F376 PolarHBondContact O-N 3.3Å
373	H	75.7	Confident	80.8	Confident	57 Å²	57	48 Å²	48	26%	0.264	27%	0.267	S	S	.	.	H	α-helix	trans	-56.9	-38.9	178.2	172.1	-86.9	0	0	0	111.6	M324 T328 L371 M377	M324-H373 HydrophobicContact CG-CB 4.35Å; T328-H373 HydrophobicContact CG2-CB 4.3Å; L371-H373 PolarHBondContact O-N 3.28Å; H373-M377 WeakPolarHBondContact O-CB 3.31Å; H373-M377 WeakPolarHBondContact O-CG 3.32Å; H373-M377 PolarHBondContact O-N 3.2Å; H373-M377 VanDerWaalsContact O-N 3.09Å
374	K	73.3	Confident	80.6	Confident	180 Å²	180	49.2 Å²	49.2	78%	0.783	28%	0.275	S	S	*	.	H	α-helix	trans	-69.1	-42.6	-172.6	-172.5	-177.4	173.6	-168.2	0	112.5	S372 G378	S372-K374 PolarHBondContact O-N 2.95Å; K374-G378 PolarHBondContact O-N 3.38Å
375	E	72.1	Confident	80.3	Confident	82 Å²	82	51.8 Å²	51.8	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-77.5	-49.4	-175.8	-66.7	162.5	151.8	0	0	110.7	S372 M377 G378 V379	S372-E375 WeakPolarHBondContact CB-OE2 3.45Å; S372-E375 VanDerWaalsContact OG-CB 3.3Å; S372-E375 WeakPolarHBondContact OG-CB 3.31Å; S372-E375 VanDerWaalsContact OG-CD 3.23Å; S372-E375 VanDerWaalsContact OG-CG 3.29Å; S372-E375 WeakPolarHBondContact OG-CG 3.43Å; S372-E375 PolarHBondContact OG-N 3.41Å; S372-E375 PolarHBondContact OG-OE2 3.41Å; E375-M377 PolarHBondContact O-N 2.99Å; E375-G378 PolarHBondContact O-N 3.31Å; E375-V379 PolarHBondContact O-N 3.24Å
376	F	82.6	Confident	80.5	Confident	3 Å²	3	50 Å²	50	1%	0.013	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-50.4	178.8	179.3	-101.6	0	0	0	111.7	F313 F320 F339 V359 F363 L371 S372 G378 V379 M380	F313-F376 AromaticContact CE1-CZ 3.88Å; F313-F376 HydrophobicContact CE1-CZ 3.88Å; F313-F376 AromaticContact CZ-CE1 3.93Å; F313-F376 HydrophobicContact CZ-CE1 3.93Å; F313-F376 AromaticContact CZ-CZ 3.74Å; F313-F376 HydrophobicContact CZ-CZ 3.74Å; F320-F376 HydrophobicContact CD1-CE1 4.43Å; F320-F376 HydrophobicContact CE1-CD1 4.15Å; F320-F376 AromaticContact CE1-CE1 3.6Å; F320-F376 HydrophobicContact CE1-CE1 3.6Å; F320-F376 HydrophobicContact CZ-CE1 4.18Å; F339-F376 HydrophobicContact CE2-CD1 4.37Å; F339-F376 AromaticContact CE2-CE1 3.83Å; F339-F376 HydrophobicContact CE2-CE1 3.83Å; F339-F376 HydrophobicContact CE2-CE2 4.25Å; F339-F376 AromaticContact CE2-CZ 3.74Å; F339-F376 HydrophobicContact CE2-CZ 3.74Å; F339-F376 HydrophobicContact CZ-CE1 4.16Å; F339-F376 HydrophobicContact CZ-CE2 4.25Å; F339-F376 AromaticContact CZ-CZ 3.68Å; F339-F376 HydrophobicContact CZ-CZ 3.68Å; V359-F376 HydrophobicContact CG1-CD2 4.32Å; V359-F376 HydrophobicContact CG1-CE2 3.68Å; F363-F376 AromaticContact CD2-CD2 3.61Å; F363-F376 HydrophobicContact CD2-CD2 3.61Å; F363-F376 HydrophobicContact CD2-CE2 4.02Å; F363-F376 AromaticContact CE2-CD2 3.87Å; F363-F376 HydrophobicContact CE2-CD2 3.87Å; F363-F376 AromaticContact CE2-CE2 3.98Å; F363-F376 HydrophobicContact CE2-CE2 3.98Å; F363-F376 HydrophobicContact CG-CD2 4.09Å; L371-F376 HydrophobicContact CD1-CD2 4.43Å; S372-F376 WeakPolarHBondContact O-CB 3.28Å; S372-F376 PolarHBondContact O-N 3.3Å; F376-G378 VanDerWaalsContact C-N 3.31Å; F376-G378 PolarHBondContact O-N 3.05Å; F376-V379 PolarHBondContact O-N 3.4Å; F376-M380 HydrophobicContact CD1-CG 4.08Å; F376-M380 HydrophobicContact CD2-CG 4Å; F376-M380 HydrophobicContact CE1-CG 3.67Å; F376-M380 HydrophobicContact CE2-CG 3.6Å; F376-M380 HydrophobicContact CE2-SD 3.91Å; F376-M380 HydrophobicContact CG-CG 4.23Å; F376-M380 HydrophobicContact CZ-CG 3.43Å; F376-M380 VanDerWaalsContact CZ-CG 3.43Å; F376-M380 HydrophobicContact CZ-SD 4.02Å; F376-M380 WeakPolarHBondContact O-CB 3.44Å; F376-M380 WeakPolarHBondContact O-CG 3.38Å; F376-M380 PolarHBondContact O-N 3.28Å
377	M	83.3	Confident	80.1	Confident	18 Å²	18	46.5 Å²	46.5	9%	0.089	27%	0.272	C	S	.	.	H	α-helix	trans	-67.4	-31.4	-177.3	-65.4	-57.8	-54.8	0	0	112.9	L317 F320 A321 H373 E375 T381	L317-M377 HydrophobicContact CD1-CE 3.56Å; L317-M377 HydrophobicContact CD1-SD 3.86Å; L317-M377 HydrophobicContact CD2-CE 4.02Å; L317-M377 HydrophobicContact CG-CE 3.55Å; F320-M377 HydrophobicContact CD1-SD 4.01Å; F320-M377 HydrophobicContact CE1-SD 4.09Å; A321-M377 HydrophobicContact CB-CE 3.38Å; A321-M377 HydrophobicContact CB-SD 4.34Å; H373-M377 WeakPolarHBondContact O-CB 3.31Å; H373-M377 WeakPolarHBondContact O-CG 3.32Å; H373-M377 PolarHBondContact O-N 3.2Å; H373-M377 VanDerWaalsContact O-N 3.09Å; E375-M377 PolarHBondContact O-N 2.99Å; M377-T381 VanDerWaalsContact O-CB 3.24Å; M377-T381 WeakPolarHBondContact O-CB 3.27Å; M377-T381 PolarHBondContact O-N 3.34Å; M377-T381 PolarHBondContact O-OG1 3.25Å
378	G	80	Confident	79.5	Confident	36 Å²	36	45.6 Å²	45.6	37%	0.371	26%	0.257	S	S	.	.	H	α-helix	trans	-60.1	-53	174.9	0	0	0	0	0	111.3	K374 E375 F376 T381 D382	K374-G378 PolarHBondContact O-N 3.38Å; E375-G378 PolarHBondContact O-N 3.31Å; F376-G378 VanDerWaalsContact C-N 3.31Å; F376-G378 PolarHBondContact O-N 3.05Å; G378-T381 PolarHBondContact O-N 2.97Å; G378-D382 PolarHBondContact O-N 2.9Å
379	V	82.8	Confident	78.7	Confident	12 Å²	12	47.2 Å²	47.2	7%	0.073	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-48.3	178.8	166.5	0	0	0	0	111.4	L277 T280 Y288 F363 E375 F376 T381 D382 R383	L277-V379 HydrophobicContact CD2-CG1 4.14Å; T280-V379 HydrophobicContact CG2-CB 3.99Å; T280-V379 HydrophobicContact CG2-CG1 3.59Å; T280-V379 HydrophobicContact CG2-CG2 3.96Å; Y288-V379 HydrophobicContact CE2-CG2 4.3Å; F363-V379 HydrophobicContact CE1-CB 3.84Å; F363-V379 HydrophobicContact CE1-CG1 3.57Å; F363-V379 HydrophobicContact CE1-CG2 3.87Å; F363-V379 HydrophobicContact CZ-CB 4.18Å; F363-V379 HydrophobicContact CZ-CG1 3.52Å; E375-V379 PolarHBondContact O-N 3.24Å; F376-V379 PolarHBondContact O-N 3.4Å; V379-T381 VanDerWaalsContact C-N 3.31Å; V379-T381 PolarHBondContact O-N 2.99Å; V379-D382 PolarHBondContact O-N 2.88Å; V379-R383 WeakPolarHBondContact O-CB 3.29Å; V379-R383 PolarHBondContact O-N 3.42Å
380	M	86.3	Confident	77.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.1	-33.8	-177.5	-64.9	-53	-61.2	0	0	112.6	L276 F310 F313 T314 L317 F376 R383 V384	L276-M380 HydrophobicContact CD1-CE 4.06Å; L276-M380 HydrophobicContact CD1-SD 3.75Å; L276-M380 HydrophobicContact CD2-SD 4.29Å; L276-M380 HydrophobicContact CG-SD 4.25Å; F310-M380 HydrophobicContact CE1-CE 3.86Å; F310-M380 HydrophobicContact CZ-CE 3.75Å; F310-M380 HydrophobicContact CZ-SD 4.31Å; F313-M380 HydrophobicContact CE1-CE 4.05Å; T314-M380 HydrophobicContact CG2-CE 3.27Å; L317-M380 HydrophobicContact CD1-CB 3.82Å; L317-M380 HydrophobicContact CD1-CG 4.44Å; L317-M380 VanDerWaalsContact CD2-C 3.49Å; L317-M380 HydrophobicContact CD2-CB 3.55Å; L317-M380 HydrophobicContact CG-CB 4.36Å; F376-M380 HydrophobicContact CD1-CG 4.08Å; F376-M380 HydrophobicContact CD2-CG 4Å; F376-M380 HydrophobicContact CE1-CG 3.67Å; F376-M380 HydrophobicContact CE2-CG 3.6Å; F376-M380 HydrophobicContact CE2-SD 3.91Å; F376-M380 HydrophobicContact CG-CG 4.23Å; F376-M380 HydrophobicContact CZ-CG 3.43Å; F376-M380 VanDerWaalsContact CZ-CG 3.43Å; F376-M380 HydrophobicContact CZ-SD 4.02Å; F376-M380 WeakPolarHBondContact O-CB 3.44Å; F376-M380 WeakPolarHBondContact O-CG 3.38Å; F376-M380 PolarHBondContact O-N 3.28Å; M380-R383 PolarHBondContact O-N 3.13Å; M380-V384 VanDerWaalsContact O-CG2 3.3Å; M380-V384 WeakPolarHBondContact O-CG2 3.1Å; M380-V384 PolarHBondContact O-N 3.35Å
381	T	84.7	Confident	75.9	Confident	57 Å²	57	52.2 Å²	52.2	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-45.2	177	-60.5	0	0	0	0	111.2	M377 G378 V379 R383 V384 L385	M377-T381 VanDerWaalsContact O-CB 3.24Å; M377-T381 WeakPolarHBondContact O-CB 3.27Å; M377-T381 PolarHBondContact O-N 3.34Å; M377-T381 PolarHBondContact O-OG1 3.25Å; G378-T381 PolarHBondContact O-N 2.97Å; V379-T381 VanDerWaalsContact C-N 3.31Å; V379-T381 PolarHBondContact O-N 2.99Å; T381-R383 VanDerWaalsContact C-N 3.33Å; T381-V384 PolarHBondContact O-N 3.37Å; T381-L385 HydrophobicContact CG2-CD1 4.23Å; T381-L385 VanDerWaalsContact O-CG 3.32Å; T381-L385 WeakPolarHBondContact O-CG 3.17Å; T381-L385 PolarHBondContact O-N 3.49Å
382	D	83.1	Confident	74.2	Confident	46 Å²	46	59.5 Å²	59.5	25%	0.246	32%	0.316	C	S	.	.	H	α-helix	trans	-68.5	-35.7	178.8	-71.3	-21.1	0	0	0	111.1	G378 V379 L385 R386 K389	G378-D382 PolarHBondContact O-N 2.9Å; V379-D382 PolarHBondContact O-N 2.88Å; D382-L385 PolarHBondContact O-N 3.08Å; D382-R386 PolarHBondContact O-N 2.58Å; D382-R386 VanDerWaalsContact O-N 3.16Å; D382-K389 IonicContact OD1-NZ 3.66Å; D382-K389 PolarHBondContact OD1-NZ 2.85Å
383	R	85.1	Confident	72.6	Confident	5 Å²	5	66.1 Å²	66.1	2%	0.019	34%	0.342	C	S	.	.	H	α-helix	trans	-59.2	-49.6	171.9	176.2	71.5	-163	141.2	31.3	112.6	E256 W275 L276 V379 M380 T381 L385 R386	E256-R383 IonicContact OE1-CZ 3.76Å; E256-R383 IonicContact OE1-NH1 2.65Å; E256-R383 IonicContact OE1-NH2 3.39Å; E256-R383 PolarHBondContact OE1-NH2 3.44Å; E256-R383 IonicContact OE2-NH2 3.48Å; E256-R383 PolarHBondContact OE2-NH2 2.74Å; W275-R383 VanDerWaalsContact CZ2-CZ 3.47Å; W275-R383 PolarHBondContact O-NH1 3.34Å; L276-R383 HydrophobicContact CD1-CG 4.18Å; V379-R383 WeakPolarHBondContact O-CB 3.29Å; V379-R383 PolarHBondContact O-N 3.42Å; M380-R383 PolarHBondContact O-N 3.13Å; T381-R383 VanDerWaalsContact C-N 3.33Å; R383-L385 PolarHBondContact O-N 3.2Å; R383-R386 PolarHBondContact O-N 3.43Å
384	V	82.1	Confident	71.3	Confident	28 Å²	28	67.4 Å²	67.4	17%	0.17	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-34	179.1	169.7	0	0	0	0	111.3	T314 L317 M380 T381 R386	T314-V384 WeakPolarHBondContact O-CG2 3.5Å; L317-V384 HydrophobicContact CB-CG2 4.41Å; L317-V384 HydrophobicContact CD2-CG2 3.95Å; M380-V384 VanDerWaalsContact O-CG2 3.3Å; M380-V384 WeakPolarHBondContact O-CG2 3.1Å; M380-V384 PolarHBondContact O-N 3.35Å; T381-V384 PolarHBondContact O-N 3.37Å; V384-R386 VanDerWaalsContact C-N 3.32Å
385	L	77.3	Confident	70.7	Confident	61 Å²	61	61 Å²	61	32%	0.319	34%	0.339	S	S	.	.	H	α-helix	trans	-79.4	-10.5	178.4	-66	174.3	0	0	0	113.7	T381 D382 R383 G387 L388 K389	T381-L385 HydrophobicContact CG2-CD1 4.23Å; T381-L385 VanDerWaalsContact O-CG 3.32Å; T381-L385 WeakPolarHBondContact O-CG 3.17Å; T381-L385 PolarHBondContact O-N 3.49Å; D382-L385 PolarHBondContact O-N 3.08Å; R383-L385 PolarHBondContact O-N 3.2Å; L385-G387 VanDerWaalsContact C-N 3.25Å; L385-G387 PolarHBondContact O-N 2.89Å; L385-L388 WeakPolarHBondContact O-CA 3.28Å; L385-L388 WeakPolarHBondContact O-CB 3.36Å; L385-L388 WeakPolarHBondContact O-CG 3.31Å; L385-L388 PolarHBondContact O-N 2.84Å; L385-K389 HydrophobicContact CB-CB 4.45Å; L385-K389 HydrophobicContact CD1-CB 4.07Å; L385-K389 HydrophobicContact CD1-CD 4.02Å; L385-K389 HydrophobicContact CD1-CG 4.05Å
386	R	78.4	Confident	70	Confident	24 Å²	24	63.4 Å²	63.4	9%	0.091	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	36.4	173.5	-61.2	168	170.7	-82.6	-5.3	114.4	M163 E256 Y279 D382 R383 V384 L388	M163-R386 VanDerWaalsContact CE-CD 3.42Å; E256-R386 IonicContact OE1-CZ 3.54Å; E256-R386 IonicContact OE1-NH1 3.38Å; E256-R386 PolarHBondContact OE1-NH1 3.26Å; E256-R386 IonicContact OE1-NH2 2.77Å; E256-R386 IonicContact OE2-CZ 3.55Å; E256-R386 IonicContact OE2-NH1 3.53Å; E256-R386 PolarHBondContact OE2-NH1 2.85Å; E256-R386 IonicContact OE2-NH2 2.73Å; E256-R386 PolarHBondContact OE2-NH2 3.23Å; Y279-R386 HydrophobicContact CD2-CB 4.31Å; Y279-R386 HydrophobicContact CD2-CG 4.49Å; Y279-R386 HydrophobicContact CE2-CB 3.83Å; Y279-R386 HydrophobicContact CE2-CG 3.93Å; D382-R386 PolarHBondContact O-N 2.58Å; D382-R386 VanDerWaalsContact O-N 3.16Å; R383-R386 PolarHBondContact O-N 3.43Å; V384-R386 VanDerWaalsContact C-N 3.32Å; R386-L388 HydrophobicContact CB-CD1 4.36Å; R386-L388 HydrophobicContact CB-CG 4.42Å; R386-L388 PolarHBondContact O-N 3.28Å; R386-L388 VanDerWaalsContact O-N 3.07Å
387	G	69.5	Low	68.9	Low	51 Å²	51	66.7 Å²	66.7	53%	0.526	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	6.6	-174.1	0	0	0	0	0	114.7	L385 K389	L385-G387 VanDerWaalsContact C-N 3.25Å; L385-G387 PolarHBondContact O-N 2.89Å; G387-K389 PolarHBondContact O-N 3.27Å
388	L	66.1	Low	67.8	Low	22 Å²	22	66.6 Å²	66.6	12%	0.115	38%	0.38	C	S	.	.			trans	-83	1.4	177	-55.2	167.6	0	0	0	112.8	L160 L385 R386 V390	L160-L388 HydrophobicContact CD1-CD1 4.08Å; L160-L388 HydrophobicContact CD1-CD2 4.16Å; L160-L388 HydrophobicContact CD2-CD1 3.64Å; L160-L388 HydrophobicContact CD2-CD2 4.45Å; L160-L388 HydrophobicContact CG-CD1 4.33Å; L385-L388 WeakPolarHBondContact O-CA 3.28Å; L385-L388 WeakPolarHBondContact O-CB 3.36Å; L385-L388 WeakPolarHBondContact O-CG 3.31Å; L385-L388 PolarHBondContact O-N 2.84Å; R386-L388 HydrophobicContact CB-CD1 4.36Å; R386-L388 HydrophobicContact CB-CG 4.42Å; R386-L388 PolarHBondContact O-N 3.28Å; R386-L388 VanDerWaalsContact O-N 3.07Å; L388-V390 PolarHBondContact O-N 3.39Å
389	K	65.3	Low	67.3	Low	113 Å²	113	72.1 Å²	72.1	49%	0.491	39%	0.391	S	S	.	.	S	Bend	trans	-62.5	121.7	169	-164.3	179.3	-166.4	173.3	0	107.5	D382 L385 G387 Q391	D382-K389 IonicContact OD1-NZ 3.66Å; D382-K389 PolarHBondContact OD1-NZ 2.85Å; L385-K389 HydrophobicContact CB-CB 4.45Å; L385-K389 HydrophobicContact CD1-CB 4.07Å; L385-K389 HydrophobicContact CD1-CD 4.02Å; L385-K389 HydrophobicContact CD1-CG 4.05Å; G387-K389 PolarHBondContact O-N 3.27Å; K389-Q391 VanDerWaalsContact C-N 3.31Å; K389-Q391 PolarHBondContact O-N 3.12Å
390	V	56.7	Low	66.9	Low	77 Å²	77	79.3 Å²	79.3	47%	0.467	42%	0.417	S	S	.	.			trans	-67.1	97.2	175.2	-178.5	0	0	0	0	106.9	A78 L388 H392	A78-V390 HydrophobicContact CB-CG1 4.17Å; A78-V390 HydrophobicContact CB-CG2 4.39Å; L388-V390 PolarHBondContact O-N 3.39Å; V390-H392 VanDerWaalsContact C-N 3.31Å; V390-H392 PolarHBondContact O-N 3.03Å
391	Q	50.8	Low	66.2	Low	166 Å²	166	85.9 Å²	85.9	78%	0.776	45%	0.445	S	S	*	.			trans	-64.4	102.5	160.6	-72	-173.7	-9.1	0	0	105.4	K389 Q393	K389-Q391 VanDerWaalsContact C-N 3.31Å; K389-Q391 PolarHBondContact O-N 3.12Å; Q391-Q393 PolarHBondContact O-N 3.36Å; Q391-Q393 VanDerWaalsContact O-N 3.12Å
392	H	46.8	Very low	65.7	Low	163 Å²	163	86.5 Å²	86.5	76%	0.755	45%	0.451	S	S	*	.			trans	-52.2	123.7	164.3	-137.5	75.1	0	0	0	105	V390 T394	V390-H392 VanDerWaalsContact C-N 3.31Å; V390-H392 PolarHBondContact O-N 3.03Å; H392-T394 PolarHBondContact O-N 3.29Å
393	Q	43.3	Very low	65.6	Low	187 Å²	187	86.4 Å²	86.4	87%	0.874	45%	0.452	S	S	*	.			trans	-56	96	-177.5	-75	-148.5	-9.8	0	0	109.2	Q391 G395	Q391-Q393 PolarHBondContact O-N 3.36Å; Q391-Q393 VanDerWaalsContact O-N 3.12Å; Q393-G395 PolarHBondContact O-N 2.83Å
394	T	46.8	Very low	65.3	Low	85 Å²	85	93 Å²	93	52%	0.521	48%	0.481	S	S	.	.			trans	-84.2	70.8	174.8	41.8	0	0	0	0	104.4	H392 G398	H392-T394 PolarHBondContact O-N 3.29Å; T394-G398 VanDerWaalsContact CB-CA 3.47Å
395	G	62.3	Low	65.1	Low	45 Å²	45	100.2 Å²	100.2	46%	0.464	51%	0.505	S	S	.	.	S	Bend	trans	-65.2	-124.4	171.7	0	0	0	0	0	109.9	Q393 S397 G398 Y399	Q393-G395 PolarHBondContact O-N 2.83Å; G395-S397 PolarHBondContact O-N 2.95Å; G395-G398 WeakPolarHBondContact O-CA 3.47Å; G395-G398 PolarHBondContact O-N 2.86Å; G395-Y399 PolarHBondContact O-N 3.17Å; G395-Y399 VanDerWaalsContact O-N 3.13Å
396	I	55.9	Low	65.2	Low	133 Å²	133	102 Å²	102	68%	0.682	51%	0.511	S	S	*	.	H	α-helix	trans	-51.9	-33.2	177.6	-62.2	169.2	0	0	0	112	Y399 W400	I396-Y399 PolarHBondContact O-N 3.5Å; I396-W400 PolarHBondContact O-N 3.22Å
397	S	59.8	Low	65.3	Low	72 Å²	72	105.2 Å²	105.2	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-66.2	-35.5	175	-174.8	0	0	0	0	114.2	G395 K401	G395-S397 PolarHBondContact O-N 2.95Å; S397-K401 WeakPolarHBondContact O-CB 3.33Å; S397-K401 WeakPolarHBondContact O-CG 3.26Å; S397-K401 PolarHBondContact O-N 3.26Å
398	G	59.7	Low	65.6	Low	16 Å²	16	107.5 Å²	107.5	17%	0.165	53%	0.534	C	S	.	.	H	α-helix	trans	-68.1	-48.1	173.9	0	0	0	0	0	112.4	T394 G395 W400 K401 C402	T394-G398 VanDerWaalsContact CB-CA 3.47Å; G395-G398 WeakPolarHBondContact O-CA 3.47Å; G395-G398 PolarHBondContact O-N 2.86Å; G398-W400 PolarHBondContact O-N 3.08Å; G398-K401 PolarHBondContact O-N 3.33Å; G398-K401 VanDerWaalsContact O-N 3.16Å; G398-C402 WeakPolarHBondContact O-CB 3.29Å; G398-C402 PolarHBondContact O-N 3.4Å
399	Y	70.6	Confident	66	Low	152 Å²	152	111.8 Å²	111.8	60%	0.596	55%	0.551	S	S	*	*	H	α-helix	trans	-53.9	-51	174.5	174.1	-99.5	0	0	0	111.1	G395 I396 K401 C402 V403	G395-Y399 PolarHBondContact O-N 3.17Å; G395-Y399 VanDerWaalsContact O-N 3.13Å; I396-Y399 PolarHBondContact O-N 3.5Å; Y399-K401 VanDerWaalsContact C-N 3.34Å; Y399-K401 PolarHBondContact O-N 3.28Å; Y399-C402 WeakPolarHBondContact O-CB 3.21Å; Y399-C402 PolarHBondContact O-N 3.46Å; Y399-C402 VanDerWaalsContact O-N 3.15Å; Y399-V403 HydrophobicContact CD1-CG2 4.2Å; Y399-V403 HydrophobicContact CD2-CG2 4.24Å; Y399-V403 HydrophobicContact CE1-CG2 3.8Å; Y399-V403 HydrophobicContact CE2-CG2 3.84Å; Y399-V403 HydrophobicContact CG-CG2 4.41Å; Y399-V403 VanDerWaalsContact O-CG2 3.32Å; Y399-V403 WeakPolarHBondContact O-CG2 3.35Å; Y399-V403 PolarHBondContact O-N 3.45Å
400	W	73.6	Confident	66.3	Low	163 Å²	163	108 Å²	108	62%	0.617	55%	0.545	S	S	*	.	H	α-helix	trans	-66.9	-31.7	178.3	-80	109.9	0	0	0	113.9	I396 G398 V403 K404	I396-W400 PolarHBondContact O-N 3.22Å; G398-W400 PolarHBondContact O-N 3.08Å; W400-V403 HydrophobicContact CE3-CG1 4.44Å; W400-K404 WeakPolarHBondContact O-CB 3.46Å; W400-K404 PolarHBondContact O-N 3.35Å
401	K	72.8	Confident	67	Low	138 Å²	138	106.4 Å²	106.4	60%	0.6	54%	0.539	S	S	*	.	H	α-helix	trans	-67.4	-39.4	171.6	-80.4	178.1	-177.7	177.2	0	111.8	S397 G398 Y399 R405	S397-K401 WeakPolarHBondContact O-CB 3.33Å; S397-K401 WeakPolarHBondContact O-CG 3.26Å; S397-K401 PolarHBondContact O-N 3.26Å; G398-K401 PolarHBondContact O-N 3.33Å; G398-K401 VanDerWaalsContact O-N 3.16Å; Y399-K401 VanDerWaalsContact C-N 3.34Å; Y399-K401 PolarHBondContact O-N 3.28Å; K401-R405 WeakPolarHBondContact O-CB 3.46Å; K401-R405 PolarHBondContact O-N 3.25Å
402	C	72.9	Confident	68	Low	69 Å²	69	106.2 Å²	106.2	47%	0.466	54%	0.536	S	S	.	.	H	α-helix	trans	-66	-53.7	175.8	-175.6	0	0	0	0	110.6	G398 Y399 K404 R405 E406	G398-C402 WeakPolarHBondContact O-CB 3.29Å; G398-C402 PolarHBondContact O-N 3.4Å; Y399-C402 WeakPolarHBondContact O-CB 3.21Å; Y399-C402 PolarHBondContact O-N 3.46Å; Y399-C402 VanDerWaalsContact O-N 3.15Å; C402-K404 VanDerWaalsContact C-N 3.31Å; C402-K404 PolarHBondContact O-N 3.19Å; C402-R405 WeakPolarHBondContact O-CA 3.32Å; C402-R405 WeakPolarHBondContact O-CB 3.36Å; C402-R405 PolarHBondContact O-N 2.8Å; C402-E406 PolarHBondContact O-N 2.95Å
403	V	80.9	Confident	69.3	Low	44 Å²	44	104.4 Å²	104.4	27%	0.267	53%	0.527	S	S	.	.	H	α-helix	trans	-52.2	-50.5	175.1	171.3	0	0	0	0	110.2	Y399 W400 R405 E406 T407	Y399-V403 HydrophobicContact CD1-CG2 4.2Å; Y399-V403 HydrophobicContact CD2-CG2 4.24Å; Y399-V403 HydrophobicContact CE1-CG2 3.8Å; Y399-V403 HydrophobicContact CE2-CG2 3.84Å; Y399-V403 HydrophobicContact CG-CG2 4.41Å; Y399-V403 VanDerWaalsContact O-CG2 3.32Å; Y399-V403 WeakPolarHBondContact O-CG2 3.35Å; Y399-V403 PolarHBondContact O-N 3.45Å; W400-V403 HydrophobicContact CE3-CG1 4.44Å; V403-R405 VanDerWaalsContact C-N 3.3Å; V403-R405 PolarHBondContact O-N 2.87Å; V403-E406 PolarHBondContact O-N 2.93Å; V403-T407 VanDerWaalsContact O-CB 3.32Å; V403-T407 WeakPolarHBondContact O-CB 3.43Å; V403-T407 PolarHBondContact O-N 3.45Å; V403-T407 PolarHBondContact O-OG1 3.45Å
404	K	79.2	Confident	70.4	Confident	144 Å²	144	99.3 Å²	99.3	63%	0.626	52%	0.517	S	S	*	.	H	α-helix	trans	-59.7	-39.5	179	-172.4	174.7	-177.3	177.9	0	112.6	W400 C402 L408	W400-K404 WeakPolarHBondContact O-CB 3.46Å; W400-K404 PolarHBondContact O-N 3.35Å; C402-K404 VanDerWaalsContact C-N 3.31Å; C402-K404 PolarHBondContact O-N 3.19Å; K404-L408 HydrophobicContact CG-CD1 4.05Å; K404-L408 VanDerWaalsContact O-CB 3.29Å; K404-L408 WeakPolarHBondContact O-CB 3.38Å; K404-L408 WeakPolarHBondContact O-CD1 3.46Å; K404-L408 VanDerWaalsContact O-CG 3.26Å; K404-L408 WeakPolarHBondContact O-CG 3.47Å; K404-L408 PolarHBondContact O-N 3.48Å; K404-L408 VanDerWaalsContact O-N 3.12Å
405	R	78	Confident	71.4	Confident	180 Å²	180	101.6 Å²	101.6	68%	0.679	53%	0.526	S	S	*	.	H	α-helix	trans	-68.3	-49.3	179.1	-177.4	-174.1	-65.7	175.1	-0.8	111.4	K401 C402 V403 L408 K409	K401-R405 WeakPolarHBondContact O-CB 3.46Å; K401-R405 PolarHBondContact O-N 3.25Å; C402-R405 WeakPolarHBondContact O-CA 3.32Å; C402-R405 WeakPolarHBondContact O-CB 3.36Å; C402-R405 PolarHBondContact O-N 2.8Å; V403-R405 VanDerWaalsContact C-N 3.3Å; V403-R405 PolarHBondContact O-N 2.87Å; R405-L408 PolarHBondContact O-N 2.91Å; R405-K409 WeakPolarHBondContact O-CB 3.5Å; R405-K409 PolarHBondContact O-N 3.09Å
406	E	79.5	Confident	70.9	Confident	98 Å²	98	102.2 Å²	102.2	46%	0.458	53%	0.532	S	S	.	.	H	α-helix	trans	-68.5	-40	-178.7	-67.8	-50.4	122	0	0	111.7	C402 V403 L408 K409 G410	C402-E406 PolarHBondContact O-N 2.95Å; V403-E406 PolarHBondContact O-N 2.93Å; E406-L408 VanDerWaalsContact C-N 3.3Å; E406-L408 PolarHBondContact O-N 2.86Å; E406-K409 PolarHBondContact O-N 2.99Å; E406-G410 PolarHBondContact O-N 2.99Å
407	T	81.6	Confident	70.5	Confident	92 Å²	92	103.3 Å²	103.3	56%	0.564	54%	0.539	S	S	*	.	H	α-helix	trans	-62.4	-37.8	173	-50.9	0	0	0	0	111.5	V403 A411	V403-T407 VanDerWaalsContact O-CB 3.32Å; V403-T407 WeakPolarHBondContact O-CB 3.43Å; V403-T407 PolarHBondContact O-N 3.45Å; V403-T407 PolarHBondContact O-OG1 3.45Å; T407-A411 WeakPolarHBondContact O-CB 2.82Å; T407-A411 PolarHBondContact O-N 3.38Å
408	L	75.1	Confident	69.9	Low	99 Å²	99	106.1 Å²	106.1	52%	0.518	55%	0.554	S	S	.	*	H	α-helix	trans	-70.4	-35.8	175.6	-83.3	165.3	0	0	0	112.8	K404 R405 E406 K412	K404-L408 HydrophobicContact CG-CD1 4.05Å; K404-L408 VanDerWaalsContact O-CB 3.29Å; K404-L408 WeakPolarHBondContact O-CB 3.38Å; K404-L408 WeakPolarHBondContact O-CD1 3.46Å; K404-L408 VanDerWaalsContact O-CG 3.26Å; K404-L408 WeakPolarHBondContact O-CG 3.47Å; K404-L408 PolarHBondContact O-N 3.48Å; K404-L408 VanDerWaalsContact O-N 3.12Å; R405-L408 PolarHBondContact O-N 2.91Å; E406-L408 VanDerWaalsContact C-N 3.3Å; E406-L408 PolarHBondContact O-N 2.86Å; L408-K412 WeakPolarHBondContact O-CB 3.41Å; L408-K412 PolarHBondContact O-N 3.17Å
409	K	74.3	Confident	69.1	Low	112 Å²	112	108.6 Å²	108.6	49%	0.487	58%	0.579	S	S	.	*	H	α-helix	trans	-67.7	-49.6	175.9	-171.3	-177.2	173.5	-168.5	0	110.6	R405 E406 A411 K412 E413	R405-K409 WeakPolarHBondContact O-CB 3.5Å; R405-K409 PolarHBondContact O-N 3.09Å; E406-K409 PolarHBondContact O-N 2.99Å; K409-A411 VanDerWaalsContact C-N 3.31Å; K409-A411 PolarHBondContact O-N 2.94Å; K409-K412 WeakPolarHBondContact O-CB 3.18Å; K409-K412 PolarHBondContact O-N 3.21Å; K409-K412 VanDerWaalsContact O-N 3.09Å; K409-E413 VanDerWaalsContact CE-OE1 3.31Å; K409-E413 WeakPolarHBondContact CE-OE1 3.45Å; K409-E413 WeakPolarHBondContact O-CG 3.42Å; K409-E413 PolarHBondContact O-N 3.3Å
410	G	70.6	Confident	67.5	Low	34 Å²	34	107 Å²	107	35%	0.351	59%	0.589	S	S	.	*	H	α-helix	trans	-62	-35.7	174.9	0	0	0	0	0	113.2	E406 E413 A414	E406-G410 PolarHBondContact O-N 2.99Å; G410-E413 PolarHBondContact O-N 3.3Å; G410-A414 VanDerWaalsContact O-CB 3.28Å; G410-A414 WeakPolarHBondContact O-CB 3.3Å; G410-A414 PolarHBondContact O-N 3.28Å
411	A	73.5	Confident	65.7	Low	42 Å²	42	105 Å²	105	35%	0.347	60%	0.597	S	S	.	*	H	α-helix	trans	-67.6	-37.8	172.8	0	0	0	0	0	112.5	T407 K409 L415	T407-A411 WeakPolarHBondContact O-CB 2.82Å; T407-A411 PolarHBondContact O-N 3.38Å; K409-A411 VanDerWaalsContact C-N 3.31Å; K409-A411 PolarHBondContact O-N 2.94Å; A411-L415 VanDerWaalsContact O-CB 3.26Å; A411-L415 WeakPolarHBondContact O-CB 3.48Å; A411-L415 WeakPolarHBondContact O-CD1 3.26Å; A411-L415 WeakPolarHBondContact O-CG 3.46Å; A411-L415 PolarHBondContact O-N 3.41Å
412	K	71.5	Confident	63.9	Low	162 Å²	162	109.8 Å²	109.8	70%	0.704	63%	0.627	S	S	*	*	H	α-helix	trans	-68.2	-37.3	174.5	-88.5	-174.9	173.2	-173.6	0	112.8	L408 K409 G416	L408-K412 WeakPolarHBondContact O-CB 3.41Å; L408-K412 PolarHBondContact O-N 3.17Å; K409-K412 WeakPolarHBondContact O-CB 3.18Å; K409-K412 PolarHBondContact O-N 3.21Å; K409-K412 VanDerWaalsContact O-N 3.09Å; K412-G416 VanDerWaalsContact O-CA 3.3Å; K412-G416 WeakPolarHBondContact O-CA 3.28Å; K412-G416 PolarHBondContact O-N 3.32Å
413	E	73.8	Confident	63.5	Low	125 Å²	125	111.9 Å²	111.9	58%	0.584	64%	0.635	S	S	*	*	H	α-helix	trans	-68.6	-40.7	174.7	-72.3	169.4	-171	0	0	110.9	K409 G410 L415 G416	K409-E413 VanDerWaalsContact CE-OE1 3.31Å; K409-E413 WeakPolarHBondContact CE-OE1 3.45Å; K409-E413 WeakPolarHBondContact O-CG 3.42Å; K409-E413 PolarHBondContact O-N 3.3Å; G410-E413 PolarHBondContact O-N 3.3Å; E413-L415 VanDerWaalsContact C-N 3.35Å; E413-L415 PolarHBondContact O-N 3.27Å; E413-G416 PolarHBondContact O-N 2.94Å
414	A	67	Low	62.5	Low	80 Å²	80	115.4 Å²	115.4	66%	0.661	65%	0.654	S	S	*	*	H	α-helix	trans	-69.3	-28.3	176.6	0	0	0	0	0	114.1	G410	G410-A414 VanDerWaalsContact O-CB 3.28Å; G410-A414 WeakPolarHBondContact O-CB 3.3Å; G410-A414 PolarHBondContact O-N 3.28Å
415	L	67.6	Low	61.6	Low	133 Å²	133	113.8 Å²	113.8	70%	0.696	66%	0.656	S	S	*	*	H	α-helix	trans	-97.8	-9.7	178.9	-65.6	168.8	0	0	0	113	A411 E413	A411-L415 VanDerWaalsContact O-CB 3.26Å; A411-L415 WeakPolarHBondContact O-CB 3.48Å; A411-L415 WeakPolarHBondContact O-CD1 3.26Å; A411-L415 WeakPolarHBondContact O-CG 3.46Å; A411-L415 PolarHBondContact O-N 3.41Å; E413-L415 VanDerWaalsContact C-N 3.35Å; E413-L415 PolarHBondContact O-N 3.27Å
416	G	50.1	Low	60.7	Low	59 Å²	59	109.9 Å²	109.9	61%	0.608	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-9.1	-173.8	0	0	0	0	0	114.9	K412 E413	K412-G416 VanDerWaalsContact O-CA 3.3Å; K412-G416 WeakPolarHBondContact O-CA 3.28Å; K412-G416 PolarHBondContact O-N 3.32Å; E413-G416 PolarHBondContact O-N 2.94Å
417	D	49.4	Very low	59.5	Low	155 Å²	155	110.7 Å²	110.7	83%	0.829	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	15	-175.9	-124.7	9.2	0	0	0	114.3	G419	D417-G419 VanDerWaalsContact C-N 3.25Å; D417-G419 PolarHBondContact O-N 3.2Å
418	T	46.6	Very low	58	Low	132 Å²	132	111.9 Å²	111.9	81%	0.81	67%	0.674	S	S	*	*			trans	-90.2	62.4	167.8	59.3	0	0	0	0	110.7
419	G	41.8	Very low	56.8	Low	67 Å²	67	112.9 Å²	112.9	69%	0.691	69%	0.685	S	S	*	*			trans	-120.1	78	173.4	0	0	0	0	0	112.3	D417	D417-G419 VanDerWaalsContact C-N 3.25Å; D417-G419 PolarHBondContact O-N 3.2Å
420	C	37	Very low	55.4	Low	118 Å²	118	112.9 Å²	112.9	80%	0.797	70%	0.7	S	S	*	*			trans	51.6	141.4	158.1	-81.9	0	0	0	0	121.3
421	P	37.4	Very low	54.2	Low	123 Å²	123	119.5 Å²	119.5	80%	0.799	73%	0.729	S	S	*	*				-139.4	132.1	93.3	35.6	-21.3	0	0	0	113.8
422	I	34.3	Very low	52.4	Low	238 Å²	238	126.5 Å²	126.5	100%	1.221	76%	0.764	S	S	*	*				-161.2	0	120.2	-84.9	151.6	0	0	0	106.9

Retrieved 422 of 422 residues in 716.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).