A0A096MMS4_PAPAN Loading...

Betaine--homocysteine S-methyltransferase

AlphaFold DB , UniProt , Accession A0A096MMS4, Species PAPAN (Papio anubis, Olive baboon), Gene BHMT, Length 470 aa.

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(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	33.6	Very low	31.2	Very low	242 Å²	242	173.7 Å²	173.7	100%	1.192	87%	0.866	S	S	*	*				0	148.9	0	-80.9	-177.8	175.2	0	0	109.1
2	K	33.3	Very low	31.6	Very low	216 Å²	216	169 Å²	169	94%	0.939	86%	0.858	S	S	*	*			trans	62.9	121.4	178.1	-62.6	-172.4	177.7	-177.4	0	116.6
3	G	28.1	Very low	31.6	Very low	66 Å²	66	163.4 Å²	163.4	68%	0.68	85%	0.853	S	S	*	*			trans	-142.3	-168.4	160.2	0	0	0	0	0	108.6
4	W	28.9	Very low	31.5	Very low	244 Å²	244	164.3 Å²	164.3	92%	0.924	86%	0.858	S	S	*	*			trans	131.7	108	172.5	-82.7	37.8	0	0	0	109.1
5	W	29.5	Very low	31.5	Very low	226 Å²	226	159.3 Å²	159.3	86%	0.856	85%	0.849	S	S	*	*				83.6	106.1	73.9	-93.5	92.9	0	0	0	113.5
6	A	29.1	Very low	31.4	Very low	106 Å²	106	164.3 Å²	164.3	88%	0.876	85%	0.853	S	S	*	*			trans	-155.6	135.6	146.2	0	0	0	0	0	109.1
7	C	28.3	Very low	31.3	Very low	105 Å²	105	161 Å²	161	71%	0.709	86%	0.855	S	S	*	*			trans	-143	126.7	-175	177.4	0	0	0	0	109.6
8	S	29.2	Very low	31.3	Very low	123 Å²	123	159.7 Å²	159.7	86%	0.86	85%	0.854	S	S	*	*			trans	-165.4	103.5	165.8	30.6	0	0	0	0	114.2
9	R	30.8	Very low	31.4	Very low	240 Å²	240	156.7 Å²	156.7	91%	0.906	85%	0.854	S	S	*	*			trans	-1	167.1	147.7	-77.1	-173.6	177	-161.9	-0.1	123.3
10	P	40.8	Very low	31.3	Very low	108 Å²	108	152.4 Å²	152.4	70%	0.701	85%	0.847	S	S	*	*			trans	-116.5	-166.8	-149.6	45.1	-36.2	0	0	0	116
11	R	31.9	Very low	31.4	Very low	235 Å²	235	157.2 Å²	157.2	89%	0.887	85%	0.852	S	S	*	*			trans	85.6	154.6	165.8	-77.7	-177.5	-172.4	-156.8	3.7	115.5
12	P	36.2	Very low	31.4	Very low	117 Å²	117	151.7 Å²	151.7	76%	0.76	84%	0.835	S	S	*	*			cis	-131.7	170.7	30.7	41.8	-25.3	0	0	0	118.7
13	A	31	Very low	31.4	Very low	96 Å²	96	146.3 Å²	146.3	79%	0.793	82%	0.824	S	S	*	*			trans	-76.8	149.9	165.2	0	0	0	0	0	110.9
14	L	30.5	Very low	31.9	Very low	176 Å²	176	149.1 Å²	149.1	92%	0.921	83%	0.83	S	S	*	*			trans	-106.4	139.8	162.1	-102.7	102.1	0	0	0	110.3
15	A	30.8	Very low	32	Very low	89 Å²	89	148.7 Å²	148.7	74%	0.736	83%	0.829	S	S	*	*			trans	-123.2	141.9	178.9	0	0	0	0	0	111.3
16	R	30.3	Very low	32.4	Very low	240 Å²	240	143.5 Å²	143.5	91%	0.906	82%	0.824	S	S	*	*			trans	60.1	121	159.3	-68	-178.6	169.5	-170.5	-3	119.3
17	A	30	Very low	32.6	Very low	108 Å²	108	145.5 Å²	145.5	89%	0.893	83%	0.825	S	S	*	*				-132.5	142.8	128.4	0	0	0	0	0	108.8
18	V	31.6	Very low	32.8	Very low	137 Å²	137	145.2 Å²	145.2	83%	0.83	83%	0.831	S	S	*	*			trans	-117.3	122.1	-177.9	172.2	0	0	0	0	109.4
19	A	32.9	Very low	32.8	Very low	104 Å²	104	143.2 Å²	143.2	86%	0.86	83%	0.83	S	S	*	*			trans	-158.6	142.2	161.1	0	0	0	0	0	106.1
20	G	29	Very low	32.9	Very low	69 Å²	69	140 Å²	140	71%	0.711	83%	0.829	S	S	*	*			cis	168.3	121.7	3.6	0	0	0	0	0	104.9
21	R	32.8	Very low	32.3	Very low	254 Å²	254	144.1 Å²	144.1	96%	0.958	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-71.7	136	-173.2	-67.9	-179.5	178.1	-176.3	-1	111.4
22	P	34.3	Very low	32.3	Very low	126 Å²	126	144.8 Å²	144.8	82%	0.818	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-82.4	137.6	151.4	13	2.8	0	0	0	110.3
23	S	34.3	Very low	32	Very low	104 Å²	104	148.5 Å²	148.5	73%	0.727	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-91.9	157	174.9	53.6	0	0	0	0	111.6
24	P	36.9	Very low	31.9	Very low	124 Å²	124	148.7 Å²	148.7	81%	0.805	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-84.9	147.4	-174.9	34.1	-35.3	0	0	0	113.4
25	R	32.2	Very low	31.9	Very low	236 Å²	236	145 Å²	145	89%	0.891	84%	0.842	S	S	*	*			trans	-153.9	160	163.1	-66.1	-167.9	-173.6	-171.2	3.5	109.5
26	P	37.9	Very low	31.9	Very low	117 Å²	117	148.7 Å²	148.7	76%	0.76	85%	0.849	S	S	*	*				-127.9	169.8	-51.9	35.9	-21.5	0	0	0	111.2
27	T	32.7	Very low	32	Very low	147 Å²	147	142.6 Å²	142.6	90%	0.902	84%	0.844	S	S	*	*			trans	-67.9	130.1	172.7	34.5	0	0	0	0	112.1
28	A	33.5	Very low	32.1	Very low	99 Å²	99	147.3 Å²	147.3	82%	0.818	84%	0.844	S	S	*	*			trans	-114	118.1	165.2	0	0	0	0	0	108.8
29	G	28.8	Very low	32	Very low	82 Å²	82	149.8 Å²	149.8	85%	0.845	85%	0.846	S	S	*	*			trans	-79.1	139.5	-177	0	0	0	0	0	112.7
30	I	31.8	Very low	31.9	Very low	172 Å²	172	152.2 Å²	152.2	88%	0.882	85%	0.85	S	S	*	*			trans	-107.6	128.2	165.1	-64.8	-179.9	0	0	0	108.2
31	K	29.6	Very low	31.8	Very low	194 Å²	194	152.2 Å²	152.2	84%	0.843	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-68.3	137.7	-173.3	-67.1	173	176.4	176.1	0	110.9	Q33	K31-Q33 PolarHBondContact O-N 2.69Å
32	R	30.5	Very low	31.7	Very low	249 Å²	249	145.3 Å²	145.3	94%	0.94	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-66.7	127.4	157.7	-69.6	-179.8	174.5	-171.2	-2.8	108.3
33	Q	29.9	Very low	31.5	Very low	195 Å²	195	144.2 Å²	144.2	91%	0.911	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-98.3	126	155.3	-84	-179.2	-32.7	0	0	108	K31	K31-Q33 PolarHBondContact O-N 2.69Å
34	A	29.6	Very low	31.2	Very low	100 Å²	100	146.9 Å²	146.9	83%	0.826	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-84.1	144.2	165	0	0	0	0	0	108.6
35	A	31.4	Very low	30.9	Very low	100 Å²	100	150 Å²	150	83%	0.826	85%	0.846	S	S	*	*			trans	-126.5	105.1	169.1	0	0	0	0	0	108.3
36	D	30.3	Very low	30.7	Very low	165 Å²	165	145.7 Å²	145.7	88%	0.882	84%	0.836	S	S	*	*			trans	-75.9	136.2	167.3	-87	-51	0	0	0	110.5
37	S	33	Very low	30.1	Very low	113 Å²	113	142.9 Å²	142.9	79%	0.79	83%	0.829	S	S	*	*			trans	-156.6	89.7	154.6	45	0	0	0	0	113.6
38	K	30.2	Very low	29.9	Very low	207 Å²	207	141.4 Å²	141.4	90%	0.9	82%	0.824	S	S	*	*			trans	37	132.9	138	-66.3	-176.7	175.5	-179.8	0	121.8
39	Q	30.8	Very low	30.4	Very low	188 Å²	188	142 Å²	142	88%	0.879	82%	0.819	S	S	*	*			trans	-56.8	147	158.1	-54.6	161.5	-55.2	0	0	113.6
40	V	29.8	Very low	30.4	Very low	155 Å²	155	143.3 Å²	143.3	94%	0.939	82%	0.816	S	S	*	*				-165.2	143.7	127.9	-178.9	0	0	0	0	105.1
41	G	27.1	Very low	30.2	Very low	69 Å²	69	147.3 Å²	147.3	71%	0.711	82%	0.82	S	S	*	*			cis	-176.8	173.5	-1.7	0	0	0	0	0	109.3
42	A	30.6	Very low	30.1	Very low	110 Å²	110	143.7 Å²	143.7	91%	0.909	82%	0.819	S	S	*	*			trans	-95.4	154.3	-174.3	0	0	0	0	0	113.7
43	A	30.8	Very low	30.1	Very low	102 Å²	102	136.8 Å²	136.8	84%	0.843	82%	0.815	S	S	*	*			trans	-146.1	131.9	162.2	0	0	0	0	0	111.3
44	Q	27.7	Very low	30	Very low	161 Å²	161	133 Å²	133	75%	0.752	81%	0.81	S	S	*	*			trans	-85.9	-178.9	162.5	-54.5	178.4	-16.6	0	0	107.7
45	R	30.2	Very low	30	Very low	188 Å²	188	135 Å²	135	71%	0.709	81%	0.812	S	S	*	*			cis	178.2	171.1	33.5	-147.5	170.1	-152.8	-114.6	13.3	112.9
46	E	28.2	Very low	29.8	Very low	146 Å²	146	135.2 Å²	135.2	68%	0.682	81%	0.807	S	S	*	*			trans	67.4	152.9	168.1	-47.9	-53.2	157	0	0	117.5
47	G	25.8	Very low	29.7	Very low	59 Å²	59	133.6 Å²	133.6	61%	0.608	80%	0.803	S	S	*	*			cis	169.5	121.4	-16.6	0	0	0	0	0	117.4
48	S	27.9	Very low	29.6	Very low	116 Å²	116	134.1 Å²	134.1	81%	0.811	80%	0.802	S	S	*	*			trans	76.2	163.3	151.5	-10.5	0	0	0	0	121.7
49	P	44.6	Very low	29.5	Very low	110 Å²	110	130.3 Å²	130.3	71%	0.714	80%	0.8	S	S	*	*			cis	-135	149.4	-9.3	39.2	-21.6	0	0	0	118.2
50	S	27.9	Very low	29.5	Very low	110 Å²	110	129.3 Å²	129.3	77%	0.769	80%	0.8	S	S	*	*			trans	44.7	130.7	140.3	70.4	0	0	0	0	124.2
51	R	29.5	Very low	29.5	Very low	256 Å²	256	128 Å²	128	97%	0.966	79%	0.788	S	S	*	*				-148.8	151.9	111.8	-106	178.2	-168.7	-146.6	1.7	110.9
52	S	26.8	Very low	29.9	Very low	118 Å²	118	131.4 Å²	131.4	83%	0.825	80%	0.795	S	S	*	*			trans	-104	146.5	-161.4	53	0	0	0	0	114.9
53	A	29.4	Very low	30.2	Very low	104 Å²	104	131 Å²	131	86%	0.86	78%	0.781	S	S	*	*			trans	-152.9	146.1	145.8	0	0	0	0	0	110.6
54	S	28	Very low	30.3	Very low	115 Å²	115	135.8 Å²	135.8	80%	0.804	78%	0.783	S	S	*	*			trans	-81.1	145.1	-170.3	51.4	0	0	0	0	114.8
55	V	29.4	Very low	30.5	Very low	143 Å²	143	136.4 Å²	136.4	87%	0.867	79%	0.788	S	S	*	*			trans	-134.7	131.5	153.8	-178.4	0	0	0	0	108.9
56	S	27.5	Very low	30.6	Very low	104 Å²	104	132.6 Å²	132.6	73%	0.727	79%	0.787	S	S	*	*			trans	-78.5	144.5	179.6	46.6	0	0	0	0	112.3
57	T	29	Very low	31	Very low	131 Å²	131	131.4 Å²	131.4	80%	0.804	79%	0.792	S	S	*	*			trans	-83.8	122.1	175.6	-44.1	0	0	0	0	110.8
58	T	29.8	Very low	31.7	Very low	125 Å²	125	135.3 Å²	135.3	77%	0.767	80%	0.804	S	S	*	*			trans	-128.9	127.2	158.2	43	0	0	0	0	109.1
59	C	29.5	Very low	32	Very low	126 Å²	126	133.1 Å²	133.1	85%	0.851	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-69.1	132.4	-176.3	-56.8	0	0	0	0	110.7
60	L	31.1	Very low	31.4	Very low	167 Å²	167	131.2 Å²	131.2	87%	0.874	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-98.6	120.9	169.5	-86	164.7	0	0	0	110.2	T62	L60-T62 PolarHBondContact O-N 3.39Å
61	D	29.9	Very low	32.3	Very low	128 Å²	128	135.8 Å²	135.8	68%	0.684	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-61.9	119.9	176.4	-174.6	-19.1	0	0	0	110.9	T63	D61-T63 VanDerWaalsContact CG-OG1 3.31Å; D61-T63 PolarHBondContact O-N 3.04Å; D61-T63 WeakPolarHBondContact OD1-CB 3.47Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.48Å; D61-T63 PolarHBondContact OD1-N 3.43Å; D61-T63 PolarHBondContact OD1-OG1 3.36Å
62	T	33.8	Very low	33.4	Very low	140 Å²	140	133.2 Å²	133.2	86%	0.859	80%	0.802	S	S	*	*			trans	-84.3	53.3	-178.3	55.7	0	0	0	0	112.2	L60	L60-T62 PolarHBondContact O-N 3.39Å
63	T	37.7	Very low	35.4	Very low	101 Å²	101	132.3 Å²	132.3	62%	0.62	80%	0.801	S	S	*	*			trans	-134.2	51.2	179.3	60.8	0	0	0	0	114.9	D61	D61-T63 VanDerWaalsContact CG-OG1 3.31Å; D61-T63 PolarHBondContact O-N 3.04Å; D61-T63 WeakPolarHBondContact OD1-CB 3.47Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.48Å; D61-T63 PolarHBondContact OD1-N 3.43Å; D61-T63 PolarHBondContact OD1-OG1 3.36Å
64	K	32.8	Very low	38	Very low	204 Å²	204	131.4 Å²	131.4	89%	0.887	78%	0.778	S	S	*	*			trans	-165.1	109.8	152.1	-107.1	151.3	-169.8	174.2	0	111.7
65	M	32.5	Very low	41.2	Very low	174 Å²	174	130.4 Å²	130.4	86%	0.857	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-67.9	135.2	158.7	-66.7	-173.6	73.6	0	0	107.9
66	P	32.5	Very low	44.5	Very low	107 Å²	107	124.4 Å²	124.4	70%	0.695	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-62.5	146.1	168.3	28.2	-33.3	0	0	0	109	V68	P66-V68 PolarHBondContact O-N 3.18Å
67	P	36.3	Very low	47.9	Very low	121 Å²	121	119.6 Å²	119.6	79%	0.786	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-59.7	134.5	179.4	24.9	-33.3	0	0	0	110.1	G69	P67-G69 PolarHBondContact O-N 3.12Å; P67-G69 VanDerWaalsContact O-N 3.12Å
68	V	39.9	Very low	51.2	Low	142 Å²	142	115.4 Å²	115.4	86%	0.861	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-52.4	120.8	173.4	177	0	0	0	0	108	P66 G70	P66-V68 PolarHBondContact O-N 3.18Å; V68-G70 PolarHBondContact O-N 2.99Å
69	G	34.3	Very low	54.5	Low	69 Å²	69	114.6 Å²	114.6	71%	0.711	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-54.6	122.2	-167.9	0	0	0	0	0	112	P67	P67-G69 PolarHBondContact O-N 3.12Å; P67-G69 VanDerWaalsContact O-N 3.12Å
70	G	32.7	Very low	57.8	Low	70 Å²	70	109 Å²	109	72%	0.722	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-56	143.4	172.1	0	0	0	0	0	110.3	V68 K72	V68-G70 PolarHBondContact O-N 2.99Å; G70-K72 PolarHBondContact O-N 3.3Å
71	K	45.4	Very low	61	Low	207 Å²	207	101.3 Å²	101.3	90%	0.9	57%	0.573	S	S	*	*			trans	-49.8	115.8	172.9	-74.4	-173.4	174.8	-171.8	0	108.3	A73	K71-A73 PolarHBondContact O-N 3.3Å
72	K	53.8	Low	64.3	Low	202 Å²	202	100.8 Å²	100.8	88%	0.878	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-54	132.1	168.1	-78.7	-176.4	175	179.4	0	107.3	G70 K74	G70-K72 PolarHBondContact O-N 3.3Å; K72-K74 PolarHBondContact O-N 2.79Å
73	A	68.4	Low	67.4	Low	98 Å²	98	97.1 Å²	97.1	81%	0.81	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-56.1	130.7	176.1	0	0	0	0	0	109.3	K71 K75	K71-A73 PolarHBondContact O-N 3.3Å; A73-K75 PolarHBondContact O-N 3.28Å
74	K	83.8	Confident	70.2	Confident	85 Å²	85	94.6 Å²	94.6	37%	0.37	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-64.1	132.1	178.4	61.7	-177.3	-176.1	176.6	0	109.2	K72 D176 L181 D218	K72-K74 PolarHBondContact O-N 2.79Å; K74-D176 IonicContact NZ-OD1 3.62Å; K74-D176 PolarHBondContact NZ-OD1 3.05Å; K74-L181 HydrophobicContact CD-CD2 4.35Å; K74-D218 IonicContact NZ-OD1 3.16Å; K74-D218 IonicContact NZ-OD2 3.79Å
75	K	96.1	Very high	73.4	Confident	95 Å²	95	87.5 Å²	87.5	41%	0.413	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-68.3	130.9	177	-66.6	-175.2	-179.9	-174.6	0	109.8	A73 E79 R80 E85	A73-K75 PolarHBondContact O-N 3.28Å; K75-E79 HydrophobicContact CB-CB 4.31Å; K75-R80 HydrophobicContact CB-CG 3.67Å; K75-R80 HydrophobicContact CD-CG 4.26Å; K75-R80 PolarHBondContact O-NE 3.32Å; K75-E85 VanDerWaalsContact CD-OE1 3.31Å; K75-E85 WeakPolarHBondContact CD-OE1 3.44Å; K75-E85 WeakPolarHBondContact CE-OE1 3.34Å; K75-E85 IonicContact NZ-OE1 3.81Å; K75-E85 PolarHBondContact NZ-OE1 3.46Å
76	G	98.1	Very high	76.5	Confident	17 Å²	17	79.8 Å²	79.8	18%	0.175	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-67.7	171.8	168.8	0	0	0	0	0	112.4	L78 E79 R80	G76-L78 PolarHBondContact O-N 3.3Å; G76-E79 VanDerWaalsContact CA-CD 3.48Å; G76-E79 VanDerWaalsContact CA-OE1 3.26Å; G76-E79 WeakPolarHBondContact CA-OE1 3.18Å; G76-E79 WeakPolarHBondContact CA-OE2 3.32Å; G76-E79 PolarHBondContact N-OE1 2.86Å; G76-E79 PolarHBondContact O-N 2.95Å; G76-R80 WeakPolarHBondContact O-CG 3.09Å; G76-R80 PolarHBondContact O-N 2.76Å; G76-R80 VanDerWaalsContact O-N 3.15Å
77	I	98.8	Very high	79.7	Confident	2 Å²	2	74.7 Å²	74.7	1%	0.01	45%	0.447	C	S	.	.	H	α-helix	trans	-63.6	-40.5	-168.7	-174.1	63.5	0	0	0	112.5	L81 V87 L181 F219 P244 I276 Y359	I77-L81 HydrophobicContact CD1-CD1 4.19Å; I77-L81 HydrophobicContact CG1-CD1 4.06Å; I77-L81 WeakPolarHBondContact O-CG 3.26Å; I77-L81 PolarHBondContact O-N 2.98Å; I77-V87 HydrophobicContact CD1-CB 4.4Å; I77-V87 HydrophobicContact CD1-CG1 3.84Å; I77-V87 HydrophobicContact CD1-CG2 3.9Å; I77-L181 HydrophobicContact CB-CD1 3.88Å; I77-L181 HydrophobicContact CD1-CD1 4.46Å; I77-F219 HydrophobicContact CB-CB 4.45Å; I77-F219 HydrophobicContact CB-CD1 3.94Å; I77-F219 HydrophobicContact CB-CE1 4.3Å; I77-F219 HydrophobicContact CB-CG 4.12Å; I77-F219 HydrophobicContact CD1-CE1 4.2Å; I77-F219 HydrophobicContact CD1-CZ 4.18Å; I77-F219 HydrophobicContact CG1-CD1 4.27Å; I77-F219 HydrophobicContact CG1-CD2 4.37Å; I77-F219 HydrophobicContact CG1-CE1 4.24Å; I77-F219 HydrophobicContact CG1-CE2 4.34Å; I77-F219 HydrophobicContact CG1-CG 4.33Å; I77-F219 HydrophobicContact CG1-CZ 4.27Å; I77-F219 HydrophobicContact CG2-CB 3.66Å; I77-F219 HydrophobicContact CG2-CD1 4.09Å; I77-F219 HydrophobicContact CG2-CD2 4.35Å; I77-F219 HydrophobicContact CG2-CG 3.8Å; I77-P244 HydrophobicContact CG2-CB 3.64Å; I77-P244 HydrophobicContact CG2-CG 3.81Å; I77-I276 HydrophobicContact CG1-CD1 3.69Å; I77-Y359 HydrophobicContact CD1-CD2 4.4Å
78	L	98.7	Very high	82.7	Confident	44 Å²	44	69 Å²	69	23%	0.23	41%	0.41	C	S	.	.	H	α-helix	trans	-75.8	-34.2	-179.7	-63.2	-174.7	0	0	0	111.4	G76 R80 L81 N82 P244 I276	G76-L78 PolarHBondContact O-N 3.3Å; L78-R80 VanDerWaalsContact C-N 3.29Å; L78-R80 PolarHBondContact O-N 3.08Å; L78-L81 PolarHBondContact O-N 2.69Å; L78-N82 WeakPolarHBondContact O-CB 3.22Å; L78-N82 PolarHBondContact O-N 3.31Å; L78-N82 PolarHBondContact O-ND2 2.78Å; L78-P244 HydrophobicContact CD1-CB 3.95Å; L78-P244 HydrophobicContact CD1-CG 3.88Å; L78-P244 HydrophobicContact CD2-CB 4.36Å; L78-P244 HydrophobicContact CG-CB 3.89Å; L78-P244 HydrophobicContact CG-CG 3.92Å; L78-I276 HydrophobicContact CD2-CG1 4.43Å
79	E	98.7	Very high	85.5	Confident	107 Å²	107	62.2 Å²	62.2	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-65	-34	176.3	-53.8	97.1	99.9	0	0	112.1	K75 G76 A83	K75-E79 HydrophobicContact CB-CB 4.31Å; G76-E79 VanDerWaalsContact CA-CD 3.48Å; G76-E79 VanDerWaalsContact CA-OE1 3.26Å; G76-E79 WeakPolarHBondContact CA-OE1 3.18Å; G76-E79 WeakPolarHBondContact CA-OE2 3.32Å; G76-E79 PolarHBondContact N-OE1 2.86Å; G76-E79 PolarHBondContact O-N 2.95Å; E79-A83 WeakPolarHBondContact O-CB 3.48Å; E79-A83 PolarHBondContact O-N 3.45Å
80	R	98.7	Very high	88.5	Confident	8 Å²	8	59 Å²	59	3%	0.03	34%	0.335	C	S	.	.	H	α-helix	trans	-67.2	-56	172.4	-66.2	179	-175.8	-99.1	8	111.3	K75 G76 L78 N82 A83 G84 E85 V87 D179	K75-R80 HydrophobicContact CB-CG 3.67Å; K75-R80 HydrophobicContact CD-CG 4.26Å; K75-R80 PolarHBondContact O-NE 3.32Å; G76-R80 WeakPolarHBondContact O-CG 3.09Å; G76-R80 PolarHBondContact O-N 2.76Å; G76-R80 VanDerWaalsContact O-N 3.15Å; L78-R80 VanDerWaalsContact C-N 3.29Å; L78-R80 PolarHBondContact O-N 3.08Å; R80-N82 PolarHBondContact O-N 2.77Å; R80-A83 WeakPolarHBondContact O-CB 3.44Å; R80-A83 PolarHBondContact O-N 2.86Å; R80-A83 VanDerWaalsContact O-N 3.12Å; R80-G84 PolarHBondContact O-N 3.26Å; R80-E85 HydrophobicContact CB-CB 4.16Å; R80-E85 VanDerWaalsContact CG-OE2 3.31Å; R80-E85 WeakPolarHBondContact CG-OE2 3.3Å; R80-E85 IonicContact NH1-OE2 2.78Å; R80-E85 VanDerWaalsContact O-CB 3.32Å; R80-E85 WeakPolarHBondContact O-CB 3.47Å; R80-E85 PolarHBondContact O-N 3Å; R80-V87 HydrophobicContact CB-CG2 4.07Å; R80-D179 IonicContact CZ-OD1 3.13Å; R80-D179 IonicContact CZ-OD2 2.99Å; R80-D179 IonicContact NH1-OD1 3.89Å; R80-D179 IonicContact NH1-OD2 3.36Å; R80-D179 PolarHBondContact NH1-OD2 2.75Å; R80-D179 VanDerWaalsContact NH2-CG 3.32Å; R80-D179 IonicContact NH2-OD1 2.7Å; R80-D179 PolarHBondContact NH2-OD1 3.3Å; R80-D179 IonicContact NH2-OD2 3.74Å; R80-D179 PolarHBondContact NH2-OD2 3.22Å
81	L	98.7	Very high	91.6	Very high	6 Å²	6	56 Å²	56	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-65	-39.6	-175.7	-66	169.5	0	0	0	112.2	I77 L78 A83 G84 V87 I276 H307 R358	I77-L81 HydrophobicContact CD1-CD1 4.19Å; I77-L81 HydrophobicContact CG1-CD1 4.06Å; I77-L81 WeakPolarHBondContact O-CG 3.26Å; I77-L81 PolarHBondContact O-N 2.98Å; L78-L81 PolarHBondContact O-N 2.69Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 3.31Å; L81-G84 PolarHBondContact O-N 3.04Å; L81-V87 HydrophobicContact CD2-CB 4.26Å; L81-V87 HydrophobicContact CD2-CG2 3.68Å; L81-V87 HydrophobicContact CG-CG2 3.97Å; L81-I276 HydrophobicContact CD1-CD1 3.52Å; L81-I276 HydrophobicContact CD1-CG1 3.82Å; L81-H307 HydrophobicContact CD1-CB 4.01Å; L81-R358 HydrophobicContact CD2-CB 3.72Å
82	N	98.6	Very high	94.1	Very high	117 Å²	117	46.4 Å²	46.4	63%	0.626	26%	0.264	S	S	*	.	H	α-helix	trans	-68.8	-26.1	175.1	-66.2	-19.3	0	0	0	112.8	L78 R80 G84 H307	L78-N82 WeakPolarHBondContact O-CB 3.22Å; L78-N82 PolarHBondContact O-N 3.31Å; L78-N82 PolarHBondContact O-ND2 2.78Å; R80-N82 PolarHBondContact O-N 2.77Å; N82-G84 PolarHBondContact O-N 2.76Å; N82-H307 PolarHBondContact OD1-CE1 2.87Å; N82-H307 PolarHBondContact OD1-NE2 2.72Å
83	A	98.4	Very high	96.1	Very high	64 Å²	64	37.6 Å²	37.6	53%	0.529	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	0.7	170.5	0	0	0	0	0	113.3	E79 R80 L81 E85	E79-A83 WeakPolarHBondContact O-CB 3.48Å; E79-A83 PolarHBondContact O-N 3.45Å; R80-A83 WeakPolarHBondContact O-CB 3.44Å; R80-A83 PolarHBondContact O-N 2.86Å; R80-A83 VanDerWaalsContact O-N 3.12Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 3.31Å; A83-E85 VanDerWaalsContact C-N 3.33Å; A83-E85 HydrophobicContact CB-CG 4.42Å
84	G	97.9	Very high	97.5	Very high	47 Å²	47	34 Å²	34	49%	0.485	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	10.8	-178.4	0	0	0	0	0	114.6	R80 L81 N82	R80-G84 PolarHBondContact O-N 3.26Å; L81-G84 PolarHBondContact O-N 3.04Å; N82-G84 PolarHBondContact O-N 2.76Å
85	E	98.6	Very high	98.1	Very high	56 Å²	56	30.5 Å²	30.5	26%	0.262	18%	0.179	S	C	.	.			trans	-67.2	155.4	177.7	-63.5	178.8	-158.1	0	0	112	K75 R80 A83	K75-E85 VanDerWaalsContact CD-OE1 3.31Å; K75-E85 WeakPolarHBondContact CD-OE1 3.44Å; K75-E85 WeakPolarHBondContact CE-OE1 3.34Å; K75-E85 IonicContact NZ-OE1 3.81Å; K75-E85 PolarHBondContact NZ-OE1 3.46Å; R80-E85 HydrophobicContact CB-CB 4.16Å; R80-E85 VanDerWaalsContact CG-OE2 3.31Å; R80-E85 WeakPolarHBondContact CG-OE2 3.3Å; R80-E85 IonicContact NH1-OE2 2.78Å; R80-E85 VanDerWaalsContact O-CB 3.32Å; R80-E85 WeakPolarHBondContact O-CB 3.47Å; R80-E85 PolarHBondContact O-N 3Å; A83-E85 VanDerWaalsContact C-N 3.33Å; A83-E85 HydrophobicContact CB-CG 4.42Å
86	I	98.9	Very high	98.2	Very high	11 Å²	11	26 Å²	26	6%	0.056	16%	0.159	C	C	.	.			trans	-97.1	112	171.6	-52.1	175.7	0	0	0	108.3	Y353 I360 L378 E381 R382	I86-Y353 HydrophobicContact CD1-CD2 3.47Å; I86-Y353 VanDerWaalsContact CD1-CD2 3.47Å; I86-Y353 HydrophobicContact CD1-CE2 3.47Å; I86-Y353 VanDerWaalsContact CD1-CE2 3.47Å; I86-Y353 HydrophobicContact CG1-CD2 4.11Å; I86-Y353 HydrophobicContact CG1-CE2 4.01Å; I86-I360 HydrophobicContact CG2-CD1 4.28Å; I86-L378 HydrophobicContact CD1-CB 4.03Å; I86-L378 HydrophobicContact CD1-CD1 4.19Å; I86-L378 HydrophobicContact CD1-CG 4.48Å; I86-L378 HydrophobicContact CG2-CD1 3.97Å; I86-E381 HydrophobicContact CD1-CB 3.8Å; I86-R382 HydrophobicContact CB-CG 4.02Å; I86-R382 HydrophobicContact CD1-CG 4.04Å; I86-R382 HydrophobicContact CG1-CG 4.33Å; I86-R382 PolarHBondContact O-NE 3.47Å
87	V	98.9	Very high	98.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.7	172.9	178.4	0	0	0	0	108.1	I77 R80 L81 N133 V134 R358 Y359 I360	I77-V87 HydrophobicContact CD1-CB 4.4Å; I77-V87 HydrophobicContact CD1-CG1 3.84Å; I77-V87 HydrophobicContact CD1-CG2 3.9Å; R80-V87 HydrophobicContact CB-CG2 4.07Å; L81-V87 HydrophobicContact CD2-CB 4.26Å; L81-V87 HydrophobicContact CD2-CG2 3.68Å; L81-V87 HydrophobicContact CG-CG2 3.97Å; V87-N133 HydrophobicContact CG1-CB 4.18Å; V87-V134 HydrophobicContact CG1-CG2 3.76Å; V87-R358 PolarHBondContact N-O 3.15Å; V87-Y359 HydrophobicContact CB-CD2 4.4Å; V87-Y359 HydrophobicContact CG1-CD2 3.88Å; V87-Y359 HydrophobicContact CG1-CE2 4.13Å; V87-Y359 HydrophobicContact CG1-CG 4.35Å; V87-Y359 WeakPolarHBondContact O-CA 3.4Å; V87-I360 PolarHBondContact O-N 2.97Å
88	I	98.9	Very high	98.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.4	174.6	-61.4	-171.6	0	0	0	108.8	S132 N133 V134 I360 I371 I374 A375	I88-S132 PolarHBondContact O-OG 3.15Å; I88-N133 PolarHBondContact N-OD1 3.46Å; I88-N133 PolarHBondContact O-N 2.94Å; I88-V134 PolarHBondContact O-N 3.11Å; I88-I360 WeakPolarHBondContact CA-O 3.32Å; I88-I371 HydrophobicContact CG2-CG2 3.74Å; I88-I374 HydrophobicContact CD1-CG2 4.11Å; I88-I374 HydrophobicContact CG1-CG2 4.28Å; I88-I374 HydrophobicContact CG2-CG2 4.41Å; I88-A375 HydrophobicContact CD1-CB 3.48Å; I88-A375 VanDerWaalsContact CD1-CB 3.48Å
89	G	98.8	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-77.8	168.5	172.6	0	0	0	0	0	112.3	S132 I360	G89-S132 PolarHBondContact O-OG 3.13Å; G89-I360 PolarHBondContact N-O 3.07Å
90	D	98.3	Very high	98.2	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.011	16%	0.164	C	C	.	.			trans	-81.6	-164.3	165.6	54.8	5.9	0	0	0	111.2	F93 F127 S132 V134 Q136 G362 I371	D90-F93 HydrophobicContact CB-CE2 4.42Å; D90-F127 HydrophobicContact CB-CB 3.92Å; D90-F127 HydrophobicContact CB-CD1 4.47Å; D90-F127 HydrophobicContact CB-CD2 4.05Å; D90-F127 HydrophobicContact CB-CG 3.93Å; D90-S132 PolarHBondContact N-OG 3.32Å; D90-V134 WeakPolarHBondContact CB-O 3.32Å; D90-V134 VanDerWaalsContact CG-O 3.26Å; D90-Q136 PolarHBondContact OD1-OE1 2.88Å; D90-Q136 PolarHBondContact OD2-N 2.94Å; D90-G362 PolarHBondContact O-N 2.7Å; D90-G362 VanDerWaalsContact O-N 3.15Å; D90-G362 VanDerWaalsContact O-O 3.12Å; D90-I371 VanDerWaalsContact O-CD1 3.24Å; D90-I371 WeakPolarHBondContact O-CD1 3.44Å
91	G	97.4	Very high	98.2	Very high	8 Å²	8	32.2 Å²	32.2	8%	0.082	20%	0.195	C	C	.	.			trans	-125.9	-162.9	-171.6	0	0	0	0	0	114.2	F93	G91-F93 PolarHBondContact O-N 3.11Å
92	G	96.6	Very high	98.1	Very high	4 Å²	4	36 Å²	36	4%	0.041	21%	0.21	C	C	.	.			trans	-77.2	75.6	-167.4	0	0	0	0	0	114.9	V94 F95 A96 C363 F366	G92-V94 PolarHBondContact O-N 3.35Å; G92-F95 PolarHBondContact O-N 3.46Å; G92-A96 WeakPolarHBondContact O-CB 3.28Å; G92-A96 PolarHBondContact O-N 3.36Å; G92-C363 WeakPolarHBondContact CA-O 3.2Å; G92-C363 PolarHBondContact N-O 3.28Å; G92-C363 VanDerWaalsContact N-O 3.16Å; G92-F366 PolarHBondContact N-O 2.73Å
93	F	97.8	Very high	97.9	Very high	18 Å²	18	30.9 Å²	30.9	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-46.1	-57.1	-178.3	-99.4	-94.2	0	0	0	114.7	D90 G91 F95 A96 L97 V120 L123 H124 F127 F138	D90-F93 HydrophobicContact CB-CE2 4.42Å; G91-F93 PolarHBondContact O-N 3.11Å; F93-F95 PolarHBondContact O-N 3.06Å; F93-A96 PolarHBondContact O-N 2.85Å; F93-L97 HydrophobicContact CD1-CD1 4.15Å; F93-L97 WeakPolarHBondContact O-CB 3.25Å; F93-L97 WeakPolarHBondContact O-CG 3.48Å; F93-L97 PolarHBondContact O-N 2.61Å; F93-V120 HydrophobicContact CE1-CG1 4.47Å; F93-L123 HydrophobicContact CD1-CD2 3.61Å; F93-L123 HydrophobicContact CD1-CG 4.16Å; F93-L123 HydrophobicContact CE1-CB 4.01Å; F93-L123 HydrophobicContact CE1-CD2 3.72Å; F93-L123 HydrophobicContact CE1-CG 3.75Å; F93-L123 HydrophobicContact CG-CD2 4.08Å; F93-L123 HydrophobicContact CZ-CB 4.39Å; F93-L123 HydrophobicContact CZ-CD2 4.28Å; F93-L123 HydrophobicContact CZ-CG 3.93Å; F93-H124 AromaticContact CE1-CD2 3.78Å; F93-H124 AromaticContact CE1-CE1 3.76Å; F93-H124 AromaticContact CE1-NE2 3.63Å; F93-H124 AromaticContact CE2-CE1 3.95Å; F93-H124 AromaticContact CE2-ND1 3.94Å; F93-H124 HydrophobicContact CZ-CB 4.28Å; F93-H124 AromaticContact CZ-CD2 3.76Å; F93-H124 AromaticContact CZ-CE1 3.33Å; F93-H124 WeakPolarHBondContact CZ-CE1 3.25Å; F93-H124 AromaticContact CZ-CG 3.52Å; F93-H124 AromaticContact CZ-ND1 3.26Å; F93-H124 VanDerWaalsContact CZ-ND1 3.26Å; F93-H124 WeakPolarHBondContact CZ-ND1 3.46Å; F93-H124 AromaticContact CZ-NE2 3.67Å; F93-F127 HydrophobicContact CD2-CD2 4.17Å; F93-F127 AromaticContact CD2-CE2 3.77Å; F93-F127 HydrophobicContact CD2-CE2 3.77Å; F93-F127 AromaticContact CE2-CD2 3.42Å; F93-F127 HydrophobicContact CE2-CD2 3.42Å; F93-F127 VanDerWaalsContact CE2-CD2 3.42Å; F93-F127 AromaticContact CE2-CE2 3.48Å; F93-F127 HydrophobicContact CE2-CE2 3.48Å; F93-F127 VanDerWaalsContact CE2-CE2 3.48Å; F93-F127 AromaticContact CZ-CD2 3.81Å; F93-F127 HydrophobicContact CZ-CD2 3.81Å; F93-F127 HydrophobicContact CZ-CE2 4.02Å; F93-F138 HydrophobicContact CB-CD2 3.98Å; F93-F138 HydrophobicContact CB-CE2 4.25Å; F93-F138 HydrophobicContact CD1-CB 4.49Å; F93-F138 HydrophobicContact CD1-CD2 4.07Å; F93-F138 HydrophobicContact CD1-CG 4.33Å; F93-F138 HydrophobicContact CG-CD2 4.35Å
94	V	96	Very high	97.5	Very high	22 Å²	22	34.7 Å²	34.7	13%	0.133	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-45.1	-177.1	-79.3	0	0	0	0	112.6	G92 E98 W108 F138	G92-V94 PolarHBondContact O-N 3.35Å; V94-E98 WeakPolarHBondContact O-CB 3.47Å; V94-E98 PolarHBondContact O-N 2.73Å; V94-W108 HydrophobicContact CB-CE3 4.29Å; V94-F138 HydrophobicContact CG1-CE2 3.87Å
95	F	97.8	Very high	97.1	Very high	11 Å²	11	33.4 Å²	33.4	5%	0.048	17%	0.172	C	C	.	.	H	α-helix	trans	-74.4	-30	179.2	-92.7	-112.1	0	0	0	112.9	G92 F93 K99 W108 Y315 F325 F331 P332 L335 C364	G92-F95 PolarHBondContact O-N 3.46Å; F93-F95 PolarHBondContact O-N 3.06Å; F95-K99 WeakPolarHBondContact O-CG 3.38Å; F95-K99 PolarHBondContact O-N 3.05Å; F95-K99 PolarHBondContact O-NZ 3.44Å; F95-W108 HydrophobicContact CD2-CH2 4.27Å; F95-W108 HydrophobicContact CD2-CZ3 4.08Å; F95-W108 AromaticContact CE2-CH2 3.91Å; F95-W108 HydrophobicContact CE2-CH2 3.91Å; F95-W108 HydrophobicContact CE2-CZ2 4.23Å; F95-W108 HydrophobicContact CE2-CZ3 4.12Å; F95-W108 HydrophobicContact CZ-CH2 4.06Å; F95-W108 HydrophobicContact CZ-CZ2 4.34Å; F95-Y315 HydrophobicContact CD1-CE2 4.2Å; F95-Y315 WeakPolarHBondContact CD1-OH 3.49Å; F95-Y315 HydrophobicContact CE1-CE2 4.24Å; F95-F325 HydrophobicContact CE1-CE2 4.44Å; F95-F325 HydrophobicContact CE2-CZ 4.41Å; F95-F325 HydrophobicContact CZ-CE2 4.02Å; F95-F325 HydrophobicContact CZ-CZ 4.06Å; F95-F331 AromaticContact CZ-CE2 4Å; F95-F331 HydrophobicContact CZ-CE2 4Å; F95-P332 HydrophobicContact CE1-CB 4.46Å; F95-P332 HydrophobicContact CZ-CB 4.24Å; F95-L335 HydrophobicContact CE1-CD1 4.17Å; F95-C364 HydrophobicContact CD1-CB 4.43Å; F95-C364 HydrophobicContact CD2-CB 3.71Å; F95-C364 VanDerWaalsContact CD2-SG 3.51Å; F95-C364 HydrophobicContact CE2-CB 3.95Å; F95-C364 HydrophobicContact CG-CB 3.97Å; F95-C364 HydrophobicContact CZ-CB 4.4Å
96	A	98.5	Very high	96.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-74.1	-37.9	175.5	0	0	0	0	0	111.4	G92 F93 R100 L123	G92-A96 WeakPolarHBondContact O-CB 3.28Å; G92-A96 PolarHBondContact O-N 3.36Å; F93-A96 PolarHBondContact O-N 2.85Å; A96-R100 WeakPolarHBondContact O-CD 3.31Å; A96-R100 WeakPolarHBondContact O-CG 3.37Å; A96-R100 PolarHBondContact O-N 2.89Å; A96-R100 PolarHBondContact O-NE 3.19Å; A96-L123 HydrophobicContact CB-CD1 4.23Å; A96-L123 HydrophobicContact CB-CD2 3.78Å
97	L	98.4	Very high	95.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-76.6	-31.5	177.7	-71	172	0	0	0	113.3	F93 R100 G101 Y102 V103 A119 V120 L123 F138	F93-L97 HydrophobicContact CD1-CD1 4.15Å; F93-L97 WeakPolarHBondContact O-CB 3.25Å; F93-L97 WeakPolarHBondContact O-CG 3.48Å; F93-L97 PolarHBondContact O-N 2.61Å; L97-R100 CarbonylContact O-C 3.49Å; L97-R100 PolarHBondContact O-N 3.16Å; L97-G101 PolarHBondContact O-N 3.15Å; L97-G101 VanDerWaalsContact O-N 3.08Å; L97-Y102 HydrophobicContact CD2-CD2 4.34Å; L97-Y102 PolarHBondContact O-N 3.25Å; L97-V103 HydrophobicContact CB-CB 4.18Å; L97-V103 HydrophobicContact CB-CG2 3.55Å; L97-V103 HydrophobicContact CD1-CG2 4.26Å; L97-V103 PolarHBondContact O-N 2.7Å; L97-A119 HydrophobicContact CD2-CB 4.41Å; L97-V120 HydrophobicContact CD1-CG2 4.18Å; L97-L123 HydrophobicContact CD1-CD2 4.29Å; L97-L123 HydrophobicContact CD2-CD2 3.96Å; L97-L123 HydrophobicContact CG-CD2 3.69Å; L97-F138 HydrophobicContact CD1-CD1 4.23Å; L97-F138 HydrophobicContact CD1-CD2 4.42Å; L97-F138 HydrophobicContact CD1-CE1 3.66Å; L97-F138 HydrophobicContact CD1-CE2 3.9Å; L97-F138 HydrophobicContact CD1-CZ 3.5Å; L97-F138 VanDerWaalsContact CD1-CZ 3.5Å
98	E	98.4	Very high	95	Very high	50 Å²	50	36 Å²	36	23%	0.234	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-51.6	173.8	-174.8	-80.8	164.7	0	0	110.9	V94 R100 G101 V103 A105 W108	V94-E98 WeakPolarHBondContact O-CB 3.47Å; V94-E98 PolarHBondContact O-N 2.73Å; E98-R100 PolarHBondContact O-N 3.15Å; E98-G101 PolarHBondContact O-N 3.33Å; E98-V103 WeakPolarHBondContact CA-O 3.4Å; E98-V103 HydrophobicContact CB-CB 4.13Å; E98-V103 HydrophobicContact CB-CG1 4.36Å; E98-V103 WeakPolarHBondContact CG-O 3.35Å; E98-A105 HydrophobicContact CG-CB 4.02Å; E98-W108 HydrophobicContact CB-CE3 4.46Å; E98-W108 HydrophobicContact CB-CZ3 3.69Å; E98-W108 HydrophobicContact CG-CH2 4.1Å; E98-W108 HydrophobicContact CG-CZ3 3.66Å
99	K	98.3	Very high	94.4	Very high	109 Å²	109	36 Å²	36	47%	0.474	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18	174.1	-64.5	-170.1	-53.1	-73.5	0	114.1	F95 E367	F95-K99 WeakPolarHBondContact O-CG 3.38Å; F95-K99 PolarHBondContact O-N 3.05Å; F95-K99 PolarHBondContact O-NZ 3.44Å; K99-E367 WeakPolarHBondContact CE-OE1 3.12Å; K99-E367 IonicContact NZ-OE1 3.42Å; K99-E367 PolarHBondContact NZ-OE1 3.23Å
100	R	98.4	Very high	94.1	Very high	84 Å²	84	36 Å²	36	32%	0.317	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-3.7	174.8	-67.8	167.9	-163.9	-138.2	3	113.1	A96 L97 E98 Y102 E126 E367	A96-R100 WeakPolarHBondContact O-CD 3.31Å; A96-R100 WeakPolarHBondContact O-CG 3.37Å; A96-R100 PolarHBondContact O-N 2.89Å; A96-R100 PolarHBondContact O-NE 3.19Å; L97-R100 CarbonylContact O-C 3.49Å; L97-R100 PolarHBondContact O-N 3.16Å; E98-R100 PolarHBondContact O-N 3.15Å; R100-Y102 HydrophobicContact CB-CD2 3.7Å; R100-Y102 HydrophobicContact CB-CE2 3.98Å; R100-Y102 WeakPolarHBondContact O-CD2 3.35Å; R100-Y102 VanDerWaalsContact O-CE2 3.29Å; R100-Y102 WeakPolarHBondContact O-CE2 3.48Å; R100-E126 IonicContact CZ-OE2 3.33Å; R100-E126 VanDerWaalsContact CZ-OE2 3.26Å; R100-E126 IonicContact NH1-OE1 2.69Å; R100-E126 PolarHBondContact NH1-OE1 3.01Å; R100-E126 IonicContact NH1-OE2 2.74Å; R100-E126 PolarHBondContact NH1-OE2 2.97Å; R100-E126 IonicContact NH2-OE2 3.11Å; R100-E126 PolarHBondContact NH2-OE2 3.49Å; R100-E367 IonicContact NH2-OE2 3.95Å
101	G	97.8	Very high	93.7	Very high	66 Å²	66	37.1 Å²	37.1	68%	0.68	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	15.2	177	0	0	0	0	0	115.9	L97 E98	L97-G101 PolarHBondContact O-N 3.15Å; L97-G101 VanDerWaalsContact O-N 3.08Å; E98-G101 PolarHBondContact O-N 3.33Å
102	Y	96.6	Very high	93.5	Very high	84 Å²	84	36.8 Å²	36.8	33%	0.329	20%	0.202	S	C	.	.	S	Bend	trans	-111	-9.4	-175.5	-60.7	-74.2	0	0	0	114.7	L97 R100 A112 H116 A119	L97-Y102 HydrophobicContact CD2-CD2 4.34Å; L97-Y102 PolarHBondContact O-N 3.25Å; R100-Y102 HydrophobicContact CB-CD2 3.7Å; R100-Y102 HydrophobicContact CB-CE2 3.98Å; R100-Y102 WeakPolarHBondContact O-CD2 3.35Å; R100-Y102 VanDerWaalsContact O-CE2 3.29Å; R100-Y102 WeakPolarHBondContact O-CE2 3.48Å; Y102-A112 WeakPolarHBondContact O-CB 3.19Å; Y102-H116 HydrophobicContact CD1-CB 3.52Å; Y102-H116 AromaticContact CD1-CD2 3.79Å; Y102-H116 AromaticContact CD1-CG 3.51Å; Y102-H116 HydrophobicContact CE1-CB 3.79Å; Y102-H116 AromaticContact CE1-CG 3.66Å; Y102-H116 AromaticContact CE1-ND1 3.82Å; Y102-A119 HydrophobicContact CD1-CB 3.82Å; Y102-A119 HydrophobicContact CD2-CB 3.56Å; Y102-A119 HydrophobicContact CE1-CB 3.75Å; Y102-A119 HydrophobicContact CE2-CB 3.51Å; Y102-A119 HydrophobicContact CG-CB 3.72Å
103	V	94.4	Very high	93.5	Very high	10 Å²	10	36.7 Å²	36.7	6%	0.061	20%	0.201	C	C	.	.	S	Bend	trans	-126.8	142.6	173.7	169.7	0	0	0	0	108.1	L97 E98 W108 F138	L97-V103 HydrophobicContact CB-CB 4.18Å; L97-V103 HydrophobicContact CB-CG2 3.55Å; L97-V103 HydrophobicContact CD1-CG2 4.26Å; L97-V103 PolarHBondContact O-N 2.7Å; E98-V103 WeakPolarHBondContact CA-O 3.4Å; E98-V103 HydrophobicContact CB-CB 4.13Å; E98-V103 HydrophobicContact CB-CG1 4.36Å; E98-V103 WeakPolarHBondContact CG-O 3.35Å; V103-W108 HydrophobicContact CG1-CE3 3.93Å; V103-F138 HydrophobicContact CG2-CE1 4.47Å; V103-F138 HydrophobicContact CG2-CE2 4.5Å; V103-F138 HydrophobicContact CG2-CZ 3.64Å
104	K	90.2	Very high	93.2	Very high	144 Å²	144	37.9 Å²	37.9	63%	0.626	21%	0.209	S	C	*	.			trans	-95.3	120.7	176.3	-172.4	-179.3	175.4	-171.6	0	110.5	G106 P107 W108	K104-G106 PolarHBondContact O-N 2.93Å; K104-P107 HydrophobicContact CB-CG 4.34Å; K104-P107 HydrophobicContact CD-CG 4.42Å; K104-P107 WeakPolarHBondContact O-CD 3.38Å; K104-W108 PolarHBondContact O-N 3.42Å
105	A	89.1	Confident	93.1	Very high	20 Å²	20	41.6 Å²	41.6	17%	0.165	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	134.6	168.2	0	0	0	0	0	111.1	E98 W108 F333	E98-A105 HydrophobicContact CG-CB 4.02Å; A105-W108 HydrophobicContact CB-CH2 3.59Å; A105-W108 HydrophobicContact CB-CZ2 3.61Å; A105-W108 HydrophobicContact CB-CZ3 4.18Å; A105-F333 HydrophobicContact CB-CE1 3.57Å; A105-F333 HydrophobicContact CB-CZ 3.47Å; A105-F333 VanDerWaalsContact CB-CZ 3.47Å
106	G	84.6	Confident	93.1	Very high	60 Å²	60	44.7 Å²	44.7	62%	0.619	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	117.6	-81.8	-171.3	0	0	0	0	0	110.7	K104	K104-G106 PolarHBondContact O-N 2.93Å
107	P	79.3	Confident	93.1	Very high	23 Å²	23	46.4 Å²	46.4	15%	0.149	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-28.3	175.4	32.9	-36.1	0	0	0	112.9	K104 T109 Y141 N152	K104-P107 HydrophobicContact CB-CG 4.34Å; K104-P107 HydrophobicContact CD-CG 4.42Å; K104-P107 WeakPolarHBondContact O-CD 3.38Å; P107-T109 HydrophobicContact CB-CG2 3.85Å; P107-T109 PolarHBondContact O-N 2.87Å; P107-Y141 WeakPolarHBondContact O-CD1 3.39Å; P107-Y141 WeakPolarHBondContact O-CE1 3.48Å; P107-N152 HydrophobicContact CB-CB 4.26Å
108	W	88.6	Confident	93.1	Very high	39 Å²	39	50.9 Å²	50.9	15%	0.148	27%	0.272	C	S	.	.			trans	56.1	31.4	178.8	-55.3	102.9	0	0	0	114.9	V94 F95 E98 V103 K104 A105 P332	V94-W108 HydrophobicContact CB-CE3 4.29Å; F95-W108 HydrophobicContact CD2-CH2 4.27Å; F95-W108 HydrophobicContact CD2-CZ3 4.08Å; F95-W108 AromaticContact CE2-CH2 3.91Å; F95-W108 HydrophobicContact CE2-CH2 3.91Å; F95-W108 HydrophobicContact CE2-CZ2 4.23Å; F95-W108 HydrophobicContact CE2-CZ3 4.12Å; F95-W108 HydrophobicContact CZ-CH2 4.06Å; F95-W108 HydrophobicContact CZ-CZ2 4.34Å; E98-W108 HydrophobicContact CB-CE3 4.46Å; E98-W108 HydrophobicContact CB-CZ3 3.69Å; E98-W108 HydrophobicContact CG-CH2 4.1Å; E98-W108 HydrophobicContact CG-CZ3 3.66Å; V103-W108 HydrophobicContact CG1-CE3 3.93Å; K104-W108 PolarHBondContact O-N 3.42Å; A105-W108 HydrophobicContact CB-CH2 3.59Å; A105-W108 HydrophobicContact CB-CZ2 3.61Å; A105-W108 HydrophobicContact CB-CZ3 4.18Å; W108-P332 HydrophobicContact CH2-CB 4.21Å; W108-P332 HydrophobicContact CZ2-CB 3.92Å; W108-P332 HydrophobicContact CZ2-CG 4.05Å
109	T	88.2	Confident	93.1	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.265	C	S	.	.			trans	-79	151.5	-172.5	44.9	0	0	0	0	112.8	P107 E111 Y141 L147	P107-T109 HydrophobicContact CB-CG2 3.85Å; P107-T109 PolarHBondContact O-N 2.87Å; T109-E111 WeakPolarHBondContact CB-OE2 3.31Å; T109-E111 VanDerWaalsContact OG1-CD 3.28Å; T109-E111 PolarHBondContact OG1-OE1 2.61Å; T109-E111 VanDerWaalsContact OG1-OE1 3.13Å; T109-E111 PolarHBondContact OG1-OE2 3.23Å; T109-Y141 HydrophobicContact CG2-CD1 3.5Å; T109-Y141 HydrophobicContact CG2-CE1 3.81Å; T109-L147 HydrophobicContact CG2-CD2 3.94Å
110	P	91.3	Very high	93.1	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	24%	0.242	C	C	.	.			trans	-100.3	27.2	-172.6	36.7	-32.7	0	0	0	115.7	A112 A113 F138 Y141 A142 V163	P110-A112 PolarHBondContact O-N 3.43Å; P110-A113 WeakPolarHBondContact O-CB 3.5Å; P110-A113 PolarHBondContact O-N 3.19Å; P110-F138 VanDerWaalsContact CA-CE1 3.41Å; P110-F138 HydrophobicContact CB-CD1 3.53Å; P110-F138 HydrophobicContact CB-CD2 4.13Å; P110-F138 HydrophobicContact CB-CE1 3.31Å; P110-F138 HydrophobicContact CB-CE2 3.92Å; P110-F138 HydrophobicContact CB-CG 3.93Å; P110-F138 HydrophobicContact CB-CZ 3.49Å; P110-F138 VanDerWaalsContact CB-CZ 3.49Å; P110-F138 WeakPolarHBondContact CB-O 3.48Å; P110-Y141 WeakPolarHBondContact CD-O 3.44Å; P110-A142 HydrophobicContact CG-CB 3.66Å; P110-V163 HydrophobicContact CB-CG1 4.3Å; P110-V163 HydrophobicContact CG-CG1 3.87Å; P110-V163 VanDerWaalsContact O-CG1 3.3Å; P110-V163 WeakPolarHBondContact O-CG1 3.31Å
111	E	90.4	Very high	93.1	Very high	26 Å²	26	42.4 Å²	42.4	12%	0.121	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-24.2	179.2	60.1	-86.4	-159.2	0	0	114.2	T109 A113 V114 E115 V154	T109-E111 WeakPolarHBondContact CB-OE2 3.31Å; T109-E111 VanDerWaalsContact OG1-CD 3.28Å; T109-E111 PolarHBondContact OG1-OE1 2.61Å; T109-E111 VanDerWaalsContact OG1-OE1 3.13Å; T109-E111 PolarHBondContact OG1-OE2 3.23Å; E111-A113 PolarHBondContact O-N 3.44Å; E111-V114 PolarHBondContact O-N 2.82Å; E111-E115 PolarHBondContact O-N 3.45Å; E111-V154 HydrophobicContact CB-CG1 4.03Å; E111-V154 HydrophobicContact CB-CG2 4.41Å; E111-V154 HydrophobicContact CG-CG2 4.29Å
112	A	93.8	Very high	93.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.4	-20.2	170.7	0	0	0	0	0	114.3	Y102 P110 V114 H116 V120 F138	Y102-A112 WeakPolarHBondContact O-CB 3.19Å; P110-A112 PolarHBondContact O-N 3.43Å; A112-V114 PolarHBondContact O-N 3.12Å; A112-H116 HydrophobicContact CB-CB 4.29Å; A112-H116 CarbonylContact O-C 3.58Å; A112-H116 VanDerWaalsContact O-CA 3.31Å; A112-H116 WeakPolarHBondContact O-CA 3.1Å; A112-H116 PolarHBondContact O-N 3.43Å; A112-V120 HydrophobicContact CB-CG2 4.1Å; A112-F138 HydrophobicContact CB-CE1 4.42Å
113	A	94.8	Very high	93.3	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-23.4	170.1	0	0	0	0	0	113.2	P110 E111 F138 V163 A166 A167 I170	P110-A113 WeakPolarHBondContact O-CB 3.5Å; P110-A113 PolarHBondContact O-N 3.19Å; E111-A113 PolarHBondContact O-N 3.44Å; A113-F138 HydrophobicContact CB-CD1 4.38Å; A113-V163 HydrophobicContact CB-CG1 4.33Å; A113-A166 HydrophobicContact CB-CB 4.41Å; A113-A167 HydrophobicContact CB-CB 3.87Å; A113-I170 HydrophobicContact CB-CD1 4.5Å; A113-I170 WeakPolarHBondContact O-CD1 3.26Å
114	V	93.3	Very high	93.5	Very high	43 Å²	43	39 Å²	39	26%	0.261	21%	0.206	S	C	.	.	H	α-helix	trans	-108.7	-41.3	177.1	-178.6	0	0	0	0	111.4	E111 A112 I158 K162 V163 A166	E111-V114 PolarHBondContact O-N 2.82Å; A112-V114 PolarHBondContact O-N 3.12Å; V114-I158 HydrophobicContact CB-CD1 4.2Å; V114-I158 HydrophobicContact CG1-CD1 4.08Å; V114-I158 HydrophobicContact CG2-CG2 4.32Å; V114-K162 HydrophobicContact CG2-CG 4.45Å; V114-V163 HydrophobicContact CG2-CG2 4.27Å; V114-A166 HydrophobicContact CG2-CB 3.8Å
115	E	93.8	Very high	93.9	Very high	100 Å²	100	36.3 Å²	36.3	47%	0.467	19%	0.191	S	C	.	.	H	α-helix	trans	-77.6	-36.5	-176.9	-61.1	-172.8	154.1	0	0	112.9	E111 I158	E111-E115 PolarHBondContact O-N 3.45Å; E115-I158 HydrophobicContact CG-CD1 4.09Å
116	H	97.3	Very high	94.4	Very high	76 Å²	76	37.6 Å²	37.6	35%	0.352	19%	0.194	S	C	.	.			trans	-138.4	53.5	-173.7	-67.1	-66.4	0	0	0	112.6	Y102 A112 E118 A119 V120	Y102-H116 HydrophobicContact CD1-CB 3.52Å; Y102-H116 AromaticContact CD1-CD2 3.79Å; Y102-H116 AromaticContact CD1-CG 3.51Å; Y102-H116 HydrophobicContact CE1-CB 3.79Å; Y102-H116 AromaticContact CE1-CG 3.66Å; Y102-H116 AromaticContact CE1-ND1 3.82Å; A112-H116 HydrophobicContact CB-CB 4.29Å; A112-H116 CarbonylContact O-C 3.58Å; A112-H116 VanDerWaalsContact O-CA 3.31Å; A112-H116 WeakPolarHBondContact O-CA 3.1Å; A112-H116 PolarHBondContact O-N 3.43Å; H116-E118 WeakPolarHBondContact CA-OE1 3.36Å; H116-E118 IonicContact CG-OE1 3.54Å; H116-E118 IonicContact ND1-OE1 2.8Å; H116-E118 PolarHBondContact ND1-OE1 3.38Å; H116-E118 PolarHBondContact O-N 2.83Å; H116-E118 VanDerWaalsContact O-N 3.08Å; H116-A119 HydrophobicContact CB-CB 4.29Å; H116-A119 WeakPolarHBondContact O-CB 3.39Å; H116-A119 PolarHBondContact O-N 2.78Å; H116-V120 PolarHBondContact O-N 2.72Å
117	P	97.8	Very high	95.1	Very high	37 Å²	37	34.8 Å²	34.8	24%	0.24	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-24	-172.2	26.6	-36.7	0	0	0	113.4	R121 I170	P117-R121 WeakPolarHBondContact O-CB 3.33Å; P117-R121 PolarHBondContact O-N 3.15Å; P117-R121 PolarHBondContact O-NH1 3.42Å; P117-I170 HydrophobicContact CB-CD1 3.68Å
118	E	98.4	Very high	96	Very high	94 Å²	94	34.9 Å²	34.9	44%	0.439	16%	0.164	S	C	.	.	H	α-helix	trans	-63.9	-38.9	171.4	70.5	-66.4	158.7	0	0	113.6	H116 Q122	H116-E118 WeakPolarHBondContact CA-OE1 3.36Å; H116-E118 IonicContact CG-OE1 3.54Å; H116-E118 IonicContact ND1-OE1 2.8Å; H116-E118 PolarHBondContact ND1-OE1 3.38Å; H116-E118 PolarHBondContact O-N 2.83Å; H116-E118 VanDerWaalsContact O-N 3.08Å; E118-Q122 WeakPolarHBondContact O-CB 3.26Å; E118-Q122 PolarHBondContact O-N 3.19Å
119	A	98.6	Very high	96.5	Very high	10 Å²	10	37.6 Å²	37.6	8%	0.083	17%	0.174	C	C	.	.	H	α-helix	trans	-68.8	-45.5	178.6	0	0	0	0	0	111.3	L97 Y102 H116 Q122 L123	L97-A119 HydrophobicContact CD2-CB 4.41Å; Y102-A119 HydrophobicContact CD1-CB 3.82Å; Y102-A119 HydrophobicContact CD2-CB 3.56Å; Y102-A119 HydrophobicContact CE1-CB 3.75Å; Y102-A119 HydrophobicContact CE2-CB 3.51Å; Y102-A119 HydrophobicContact CG-CB 3.72Å; H116-A119 HydrophobicContact CB-CB 4.29Å; H116-A119 WeakPolarHBondContact O-CB 3.39Å; H116-A119 PolarHBondContact O-N 2.78Å; A119-Q122 PolarHBondContact O-N 3.32Å; A119-L123 PolarHBondContact O-N 3.43Å
120	V	98.6	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-47.7	176.6	-176.6	0	0	0	0	110.6	F93 L97 A112 H116 Q122 L123 H124 F138 I170	F93-V120 HydrophobicContact CE1-CG1 4.47Å; L97-V120 HydrophobicContact CD1-CG2 4.18Å; A112-V120 HydrophobicContact CB-CG2 4.1Å; H116-V120 PolarHBondContact O-N 2.72Å; V120-Q122 VanDerWaalsContact C-N 3.34Å; V120-Q122 PolarHBondContact O-N 3.4Å; V120-L123 PolarHBondContact O-N 2.91Å; V120-H124 PolarHBondContact O-CD2 2.98Å; V120-H124 VanDerWaalsContact O-CD2 3.24Å; V120-H124 PolarHBondContact O-N 3.34Å; V120-H124 VanDerWaalsContact O-N 3.07Å; V120-F138 HydrophobicContact CG1-CB 4.17Å; V120-F138 HydrophobicContact CG1-CD1 3.94Å; V120-F138 HydrophobicContact CG1-CG 4.33Å; V120-F138 HydrophobicContact CG2-CD1 3.94Å; V120-F138 HydrophobicContact CG2-CE1 4.11Å; V120-I170 HydrophobicContact CB-CD1 4.34Å; V120-I170 HydrophobicContact CB-CG2 4.48Å; V120-I170 HydrophobicContact CG1-CD1 4.41Å; V120-I170 HydrophobicContact CG1-CG2 4.1Å
121	R	98.8	Very high	97.4	Very high	56 Å²	56	38 Å²	38	21%	0.211	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-42	176.8	-172.5	-172.5	-62.2	98.9	4.6	112.4	P117 H124 R125 I170 V174	P117-R121 WeakPolarHBondContact O-CB 3.33Å; P117-R121 PolarHBondContact O-N 3.15Å; P117-R121 PolarHBondContact O-NH1 3.42Å; R121-H124 PolarHBondContact O-N 3Å; R121-R125 WeakPolarHBondContact O-CG 3.41Å; R121-R125 PolarHBondContact O-N 2.68Å; R121-I170 HydrophobicContact CB-CG2 3.73Å; R121-I170 HydrophobicContact CG-CG2 4.29Å; R121-V174 HydrophobicContact CG-CG2 3.73Å
122	Q	98.9	Very high	97.8	Very high	88 Å²	88	36.8 Å²	36.8	41%	0.411	17%	0.173	S	C	.	.	H	α-helix	trans	-65.2	-39.9	179.4	177.5	54.5	30.3	0	0	111.4	E118 A119 V120 R125 E126	E118-Q122 WeakPolarHBondContact O-CB 3.26Å; E118-Q122 PolarHBondContact O-N 3.19Å; A119-Q122 PolarHBondContact O-N 3.32Å; V120-Q122 VanDerWaalsContact C-N 3.34Å; V120-Q122 PolarHBondContact O-N 3.4Å; Q122-R125 PolarHBondContact O-N 2.79Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.31Å; Q122-E126 PolarHBondContact NE2-OE1 3.37Å; Q122-E126 WeakPolarHBondContact O-CG 3.39Å; Q122-E126 PolarHBondContact O-N 3.08Å
123	L	98.9	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-66.2	-43	176	-177.6	56.4	0	0	0	112.6	F93 A96 L97 A119 V120 R125 E126 F127 P368	F93-L123 HydrophobicContact CD1-CD2 3.61Å; F93-L123 HydrophobicContact CD1-CG 4.16Å; F93-L123 HydrophobicContact CE1-CB 4.01Å; F93-L123 HydrophobicContact CE1-CD2 3.72Å; F93-L123 HydrophobicContact CE1-CG 3.75Å; F93-L123 HydrophobicContact CG-CD2 4.08Å; F93-L123 HydrophobicContact CZ-CB 4.39Å; F93-L123 HydrophobicContact CZ-CD2 4.28Å; F93-L123 HydrophobicContact CZ-CG 3.93Å; A96-L123 HydrophobicContact CB-CD1 4.23Å; A96-L123 HydrophobicContact CB-CD2 3.78Å; L97-L123 HydrophobicContact CD1-CD2 4.29Å; L97-L123 HydrophobicContact CD2-CD2 3.96Å; L97-L123 HydrophobicContact CG-CD2 3.69Å; A119-L123 PolarHBondContact O-N 3.43Å; V120-L123 PolarHBondContact O-N 2.91Å; L123-R125 VanDerWaalsContact C-N 3.3Å; L123-R125 PolarHBondContact O-N 3.31Å; L123-E126 PolarHBondContact O-N 2.82Å; L123-F127 HydrophobicContact CD1-CD2 3.95Å; L123-F127 HydrophobicContact CD1-CE2 3.44Å; L123-F127 VanDerWaalsContact CD1-CE2 3.44Å; L123-F127 HydrophobicContact CD1-CZ 3.88Å; L123-F127 HydrophobicContact CD2-CE2 4.12Å; L123-F127 HydrophobicContact CG-CD2 3.98Å; L123-F127 HydrophobicContact CG-CE2 3.58Å; L123-F127 HydrophobicContact CG-CZ 4.45Å; L123-F127 WeakPolarHBondContact O-CD2 3.48Å; L123-F127 PolarHBondContact O-N 3.45Å; L123-F127 VanDerWaalsContact O-N 3.07Å; L123-P368 HydrophobicContact CD1-CG 4.33Å
124	H	98.9	Very high	98.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-55.2	-45.7	170.5	-79.1	-70	0	0	0	111.6	F93 V120 R121 E126 F127 L128 M135 Q136 V174	F93-H124 AromaticContact CE1-CD2 3.78Å; F93-H124 AromaticContact CE1-CE1 3.76Å; F93-H124 AromaticContact CE1-NE2 3.63Å; F93-H124 AromaticContact CE2-CE1 3.95Å; F93-H124 AromaticContact CE2-ND1 3.94Å; F93-H124 HydrophobicContact CZ-CB 4.28Å; F93-H124 AromaticContact CZ-CD2 3.76Å; F93-H124 AromaticContact CZ-CE1 3.33Å; F93-H124 WeakPolarHBondContact CZ-CE1 3.25Å; F93-H124 AromaticContact CZ-CG 3.52Å; F93-H124 AromaticContact CZ-ND1 3.26Å; F93-H124 VanDerWaalsContact CZ-ND1 3.26Å; F93-H124 WeakPolarHBondContact CZ-ND1 3.46Å; F93-H124 AromaticContact CZ-NE2 3.67Å; V120-H124 PolarHBondContact O-CD2 2.98Å; V120-H124 VanDerWaalsContact O-CD2 3.24Å; V120-H124 PolarHBondContact O-N 3.34Å; V120-H124 VanDerWaalsContact O-N 3.07Å; R121-H124 PolarHBondContact O-N 3Å; H124-E126 VanDerWaalsContact C-N 3.3Å; H124-E126 PolarHBondContact O-N 3.41Å; H124-F127 PolarHBondContact O-N 3.21Å; H124-L128 WeakPolarHBondContact O-CB 3.45Å; H124-L128 PolarHBondContact O-N 2.89Å; H124-M135 HydrophobicContact CB-SD 3.83Å; H124-Q136 PolarHBondContact CE1-O 2.86Å; H124-Q136 VanDerWaalsContact CE1-O 3.32Å; H124-V174 HydrophobicContact CB-CB 3.85Å; H124-V174 HydrophobicContact CB-CG1 3.78Å; H124-V174 HydrophobicContact CB-CG2 3.87Å
125	R	98.9	Very high	98.5	Very high	87 Å²	87	35.2 Å²	35.2	33%	0.328	16%	0.163	S	C	.	.	H	α-helix	trans	-63.8	-35.3	179.4	-77.4	175.8	172.3	161.1	-0.9	112.6	R121 Q122 L123 R129 V174 E177	R121-R125 WeakPolarHBondContact O-CG 3.41Å; R121-R125 PolarHBondContact O-N 2.68Å; Q122-R125 PolarHBondContact O-N 2.79Å; L123-R125 VanDerWaalsContact C-N 3.3Å; L123-R125 PolarHBondContact O-N 3.31Å; R125-R129 WeakPolarHBondContact O-CB 3.46Å; R125-R129 PolarHBondContact O-N 3.5Å; R125-V174 HydrophobicContact CB-CG1 4.39Å; R125-V174 HydrophobicContact CG-CB 4.42Å; R125-V174 HydrophobicContact CG-CG1 3.68Å; R125-V174 HydrophobicContact CG-CG2 3.83Å; R125-E177 IonicContact CZ-OE1 3.95Å; R125-E177 IonicContact CZ-OE2 3.89Å; R125-E177 IonicContact NE-OE1 2.77Å; R125-E177 PolarHBondContact NE-OE1 3.13Å; R125-E177 IonicContact NE-OE2 3.23Å; R125-E177 PolarHBondContact NE-OE2 3.47Å; R125-E177 IonicContact NH2-OE1 3.66Å; R125-E177 PolarHBondContact NH2-OE1 2.87Å; R125-E177 IonicContact NH2-OE2 2.76Å
126	E	98.9	Very high	98.7	Very high	48 Å²	48	31.1 Å²	31.1	22%	0.224	14%	0.144	C	C	.	.	H	α-helix	trans	-65.8	-42.1	174.7	-72.5	165.4	-162.9	0	0	111.9	R100 Q122 L123 H124 A130 P368	R100-E126 IonicContact CZ-OE2 3.33Å; R100-E126 VanDerWaalsContact CZ-OE2 3.26Å; R100-E126 IonicContact NH1-OE1 2.69Å; R100-E126 PolarHBondContact NH1-OE1 3.01Å; R100-E126 IonicContact NH1-OE2 2.74Å; R100-E126 PolarHBondContact NH1-OE2 2.97Å; R100-E126 IonicContact NH2-OE2 3.11Å; R100-E126 PolarHBondContact NH2-OE2 3.49Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.31Å; Q122-E126 PolarHBondContact NE2-OE1 3.37Å; Q122-E126 WeakPolarHBondContact O-CG 3.39Å; Q122-E126 PolarHBondContact O-N 3.08Å; L123-E126 PolarHBondContact O-N 2.82Å; H124-E126 VanDerWaalsContact C-N 3.3Å; H124-E126 PolarHBondContact O-N 3.41Å; E126-A130 VanDerWaalsContact O-CB 3.28Å; E126-A130 WeakPolarHBondContact O-CB 3.37Å; E126-A130 PolarHBondContact O-N 2.9Å; E126-P368 HydrophobicContact CB-CB 3.95Å; E126-P368 HydrophobicContact CB-CG 3.52Å; E126-P368 HydrophobicContact CG-CG 4.44Å
127	F	98.9	Very high	98.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-69.6	-40.9	174.9	-70.3	-53.8	0	0	0	113.3	D90 F93 L123 H124 A130 G131 S132 M135 F366 P368 I371	D90-F127 HydrophobicContact CB-CB 3.92Å; D90-F127 HydrophobicContact CB-CD1 4.47Å; D90-F127 HydrophobicContact CB-CD2 4.05Å; D90-F127 HydrophobicContact CB-CG 3.93Å; F93-F127 HydrophobicContact CD2-CD2 4.17Å; F93-F127 AromaticContact CD2-CE2 3.77Å; F93-F127 HydrophobicContact CD2-CE2 3.77Å; F93-F127 AromaticContact CE2-CD2 3.42Å; F93-F127 HydrophobicContact CE2-CD2 3.42Å; F93-F127 VanDerWaalsContact CE2-CD2 3.42Å; F93-F127 AromaticContact CE2-CE2 3.48Å; F93-F127 HydrophobicContact CE2-CE2 3.48Å; F93-F127 VanDerWaalsContact CE2-CE2 3.48Å; F93-F127 AromaticContact CZ-CD2 3.81Å; F93-F127 HydrophobicContact CZ-CD2 3.81Å; F93-F127 HydrophobicContact CZ-CE2 4.02Å; L123-F127 HydrophobicContact CD1-CD2 3.95Å; L123-F127 HydrophobicContact CD1-CE2 3.44Å; L123-F127 VanDerWaalsContact CD1-CE2 3.44Å; L123-F127 HydrophobicContact CD1-CZ 3.88Å; L123-F127 HydrophobicContact CD2-CE2 4.12Å; L123-F127 HydrophobicContact CG-CD2 3.98Å; L123-F127 HydrophobicContact CG-CE2 3.58Å; L123-F127 HydrophobicContact CG-CZ 4.45Å; L123-F127 WeakPolarHBondContact O-CD2 3.48Å; L123-F127 PolarHBondContact O-N 3.45Å; L123-F127 VanDerWaalsContact O-N 3.07Å; H124-F127 PolarHBondContact O-N 3.21Å; F127-A130 WeakPolarHBondContact O-CB 3.39Å; F127-A130 PolarHBondContact O-N 3.1Å; F127-G131 PolarHBondContact O-N 2.91Å; F127-S132 WeakPolarHBondContact O-CB 3.36Å; F127-S132 PolarHBondContact O-N 3.27Å; F127-M135 HydrophobicContact CB-CE 4.46Å; F127-F366 WeakPolarHBondContact CZ-O 2.86Å; F127-P368 HydrophobicContact CD1-CB 4.36Å; F127-P368 HydrophobicContact CD1-CG 4.2Å; F127-P368 HydrophobicContact CE1-CG 4.08Å; F127-I371 HydrophobicContact CD1-CB 4.3Å; F127-I371 HydrophobicContact CD1-CG1 3.62Å; F127-I371 HydrophobicContact CE1-CG1 3.83Å
128	L	98.9	Very high	98.6	Very high	26 Å²	26	26.4 Å²	26.4	14%	0.136	12%	0.119	C	C	.	.	H	α-helix	trans	-58.3	-49.3	172.3	-178.6	73.2	0	0	0	110.7	H124 A130 G131 M135 V174 E177 A180	H124-L128 WeakPolarHBondContact O-CB 3.45Å; H124-L128 PolarHBondContact O-N 2.89Å; L128-A130 VanDerWaalsContact C-N 3.26Å; L128-A130 PolarHBondContact O-N 3.42Å; L128-G131 PolarHBondContact O-N 3.01Å; L128-M135 HydrophobicContact CB-CE 3.86Å; L128-M135 HydrophobicContact CB-SD 4.38Å; L128-M135 HydrophobicContact CD1-CE 4.18Å; L128-V174 HydrophobicContact CB-CG1 4.15Å; L128-V174 HydrophobicContact CD2-CG1 3.83Å; L128-V174 WeakPolarHBondContact CD2-O 3.4Å; L128-E177 HydrophobicContact CD2-CB 4.06Å; L128-A180 HydrophobicContact CD1-CB 3.58Å
129	R	98.9	Very high	98.1	Very high	95 Å²	95	21.9 Å²	21.9	36%	0.358	10%	0.098	S	C	.	.	H	α-helix	trans	-62.8	-33	177.2	-175.5	173.9	164	70.7	-8.9	112	R125 G131 P387 A388 E390	R125-R129 WeakPolarHBondContact O-CB 3.46Å; R125-R129 PolarHBondContact O-N 3.5Å; R129-G131 PolarHBondContact O-N 3.01Å; R129-P387 HydrophobicContact CG-CB 4.1Å; R129-P387 WeakPolarHBondContact O-CD 3.49Å; R129-A388 HydrophobicContact CG-CB 4.16Å; R129-A388 VanDerWaalsContact O-CB 3.23Å; R129-A388 WeakPolarHBondContact O-CB 3.35Å; R129-A388 PolarHBondContact O-N 3.1Å; R129-E390 IonicContact CZ-OE1 3.62Å; R129-E390 IonicContact CZ-OE2 3.3Å; R129-E390 IonicContact NH1-OE1 3.88Å; R129-E390 IonicContact NH1-OE2 3.73Å; R129-E390 PolarHBondContact NH1-OE2 3.16Å; R129-E390 IonicContact NH2-OE1 2.91Å; R129-E390 PolarHBondContact NH2-OE1 3.09Å; R129-E390 IonicContact NH2-OE2 2.9Å; R129-E390 PolarHBondContact NH2-OE2 3.31Å; R129-E390 VanDerWaalsContact NH2-OE2 3.16Å
130	A	98.9	Very high	96.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-68.3	-14.5	173.2	0	0	0	0	0	114	E126 F127 L128 P368 I371 R372 P386	E126-A130 VanDerWaalsContact O-CB 3.28Å; E126-A130 WeakPolarHBondContact O-CB 3.37Å; E126-A130 PolarHBondContact O-N 2.9Å; F127-A130 WeakPolarHBondContact O-CB 3.39Å; F127-A130 PolarHBondContact O-N 3.1Å; L128-A130 VanDerWaalsContact C-N 3.26Å; L128-A130 PolarHBondContact O-N 3.42Å; A130-P368 HydrophobicContact CB-CB 4.4Å; A130-P368 WeakPolarHBondContact CB-O 3.49Å; A130-I371 HydrophobicContact CB-CB 3.98Å; A130-I371 HydrophobicContact CB-CG2 4.02Å; A130-R372 HydrophobicContact CB-CB 4.2Å; A130-R372 WeakPolarHBondContact O-CA 3.26Å; A130-P386 WeakPolarHBondContact O-CB 3.36Å; A130-P386 WeakPolarHBondContact O-CG 3.36Å
131	G	98.8	Very high	95.3	Very high	8 Å²	8	25.6 Å²	25.6	8%	0.082	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.4	9.9	176.2	0	0	0	0	0	115.4	F127 L128 R129 R382	F127-G131 PolarHBondContact O-N 2.91Å; L128-G131 PolarHBondContact O-N 3.01Å; R129-G131 PolarHBondContact O-N 3.01Å; G131-R382 PolarHBondContact O-NH2 2.79Å
132	S	98.9	Very high	94.1	Very high	2 Å²	2	23 Å²	23	1%	0.014	10%	0.101	C	C	.	.			trans	-62.2	136.6	172.5	179.1	0	0	0	0	111.2	I88 G89 D90 F127 V134	I88-S132 PolarHBondContact O-OG 3.15Å; G89-S132 PolarHBondContact O-OG 3.13Å; D90-S132 PolarHBondContact N-OG 3.32Å; F127-S132 WeakPolarHBondContact O-CB 3.36Å; F127-S132 PolarHBondContact O-N 3.27Å; S132-V134 PolarHBondContact OG-N 2.99Å; S132-V134 PolarHBondContact OG-O 3.25Å
133	N	98.8	Very high	92.7	Very high	11 Å²	11	18.9 Å²	18.9	6%	0.059	8%	0.083	C	C	.	.	S	Bend	trans	-97.9	-0.2	171.1	-61.9	117.4	0	0	0	112.3	V87 I88 D179 A180 L181 R382	V87-N133 HydrophobicContact CG1-CB 4.18Å; I88-N133 PolarHBondContact N-OD1 3.46Å; I88-N133 PolarHBondContact O-N 2.94Å; N133-D179 PolarHBondContact ND2-O 3.45Å; N133-A180 CarbonylContact O-C 3.52Å; N133-A180 VanDerWaalsContact O-CA 3.26Å; N133-A180 WeakPolarHBondContact O-CA 3.32Å; N133-L181 PolarHBondContact O-N 3.38Å; N133-R382 PolarHBondContact OD1-NH2 3.46Å
134	V	98.9	Very high	91.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.7	-178.8	-176.1	0	0	0	0	110.6	V87 I88 D90 S132 Q136 L181 A183 F219 Y359	V87-V134 HydrophobicContact CG1-CG2 3.76Å; I88-V134 PolarHBondContact O-N 3.11Å; D90-V134 WeakPolarHBondContact CB-O 3.32Å; D90-V134 VanDerWaalsContact CG-O 3.26Å; S132-V134 PolarHBondContact OG-N 2.99Å; S132-V134 PolarHBondContact OG-O 3.25Å; V134-Q136 HydrophobicContact CG1-CG 4.09Å; V134-L181 CarbonylContact C-O 3.55Å; V134-L181 WeakPolarHBondContact CA-O 3.44Å; V134-A183 HydrophobicContact CG1-CB 3.64Å; V134-F219 HydrophobicContact CB-CZ 4.46Å; V134-F219 HydrophobicContact CG1-CE1 3.96Å; V134-F219 HydrophobicContact CG1-CZ 3.7Å; V134-F219 HydrophobicContact CG2-CE1 4.05Å; V134-F219 HydrophobicContact CG2-CZ 3.86Å; V134-Y359 WeakPolarHBondContact CG1-OH 3.46Å; V134-Y359 HydrophobicContact CG2-CE2 3.83Å
135	M	98.8	Very high	89.9	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	99.3	165.7	-59.5	-62.7	110.1	0	0	107.4	H124 F127 L128 A171 V174 A175 A180 L181 V182 A183	H124-M135 HydrophobicContact CB-SD 3.83Å; F127-M135 HydrophobicContact CB-CE 4.46Å; L128-M135 HydrophobicContact CB-CE 3.86Å; L128-M135 HydrophobicContact CB-SD 4.38Å; L128-M135 HydrophobicContact CD1-CE 4.18Å; M135-A171 HydrophobicContact CB-CB 4.22Å; M135-V174 HydrophobicContact SD-CG1 4.2Å; M135-A175 HydrophobicContact CB-CB 4.4Å; M135-A175 HydrophobicContact CG-CB 3.94Å; M135-A180 HydrophobicContact CE-CB 4.46Å; M135-A180 HydrophobicContact CG-CB 4.49Å; M135-L181 PolarHBondContact N-O 2.89Å; M135-V182 WeakPolarHBondContact O-CA 3.19Å; M135-A183 PolarHBondContact O-N 2.93Å; M135-A183 VanDerWaalsContact O-N 3.08Å
136	Q	98.8	Very high	88.6	Confident	15 Å²	15	20.3 Å²	20.3	7%	0.07	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	132.3	172.7	-74.4	-175.1	-124.2	0	0	109.1	D90 H124 V134 F138 A183 I221 E223	D90-Q136 PolarHBondContact OD1-OE1 2.88Å; D90-Q136 PolarHBondContact OD2-N 2.94Å; H124-Q136 PolarHBondContact CE1-O 2.86Å; H124-Q136 VanDerWaalsContact CE1-O 3.32Å; V134-Q136 HydrophobicContact CG1-CG 4.09Å; Q136-F138 PolarHBondContact O-N 3.13Å; Q136-A183 HydrophobicContact CG-CB 4.22Å; Q136-I221 HydrophobicContact CG-CD1 3.84Å; Q136-E223 PolarHBondContact NE2-OE1 3.01Å; Q136-E223 PolarHBondContact NE2-OE2 2.86Å
137	T	97.8	Very high	87.1	Confident	5 Å²	5	18 Å²	18	3%	0.031	8%	0.083	C	C	.	.			trans	-62.9	134.2	179.4	55.1	0	0	0	0	109.9	T139 C168 A171 V182 A183 G185 F212 V217	T137-T139 PolarHBondContact O-N 2.73Å; T137-T139 PolarHBondContact O-OG1 3.08Å; T137-T139 PolarHBondContact OG1-OG1 3.36Å; T137-C168 HydrophobicContact CG2-CB 4.41Å; T137-A171 HydrophobicContact CG2-CB 4.21Å; T137-V182 HydrophobicContact CG2-CG1 3.53Å; T137-A183 WeakPolarHBondContact CG2-O 3.45Å; T137-A183 PolarHBondContact N-O 3.33Å; T137-A183 PolarHBondContact OG1-O 3.47Å; T137-G185 PolarHBondContact OG1-N 2.83Å; T137-F212 WeakPolarHBondContact OG1-CE1 3.31Å; T137-V217 HydrophobicContact CG2-CG1 4.39Å
138	F	95.9	Very high	85.6	Confident	8 Å²	8	23.2 Å²	23.2	4%	0.035	11%	0.107	C	C	.	.	S	Bend	trans	-75.1	65.8	179.2	-174	-130.3	0	0	0	111.2	F93 V94 L97 V103 P110 A112 A113 V120 Q136 A167	F93-F138 HydrophobicContact CB-CD2 3.98Å; F93-F138 HydrophobicContact CB-CE2 4.25Å; F93-F138 HydrophobicContact CD1-CB 4.49Å; F93-F138 HydrophobicContact CD1-CD2 4.07Å; F93-F138 HydrophobicContact CD1-CG 4.33Å; F93-F138 HydrophobicContact CG-CD2 4.35Å; V94-F138 HydrophobicContact CG1-CE2 3.87Å; L97-F138 HydrophobicContact CD1-CD1 4.23Å; L97-F138 HydrophobicContact CD1-CD2 4.42Å; L97-F138 HydrophobicContact CD1-CE1 3.66Å; L97-F138 HydrophobicContact CD1-CE2 3.9Å; L97-F138 HydrophobicContact CD1-CZ 3.5Å; L97-F138 VanDerWaalsContact CD1-CZ 3.5Å; V103-F138 HydrophobicContact CG2-CE1 4.47Å; V103-F138 HydrophobicContact CG2-CE2 4.5Å; V103-F138 HydrophobicContact CG2-CZ 3.64Å; P110-F138 VanDerWaalsContact CA-CE1 3.41Å; P110-F138 HydrophobicContact CB-CD1 3.53Å; P110-F138 HydrophobicContact CB-CD2 4.13Å; P110-F138 HydrophobicContact CB-CE1 3.31Å; P110-F138 HydrophobicContact CB-CE2 3.92Å; P110-F138 HydrophobicContact CB-CG 3.93Å; P110-F138 HydrophobicContact CB-CZ 3.49Å; P110-F138 VanDerWaalsContact CB-CZ 3.49Å; P110-F138 WeakPolarHBondContact CB-O 3.48Å; A112-F138 HydrophobicContact CB-CE1 4.42Å; A113-F138 HydrophobicContact CB-CD1 4.38Å; V120-F138 HydrophobicContact CG1-CB 4.17Å; V120-F138 HydrophobicContact CG1-CD1 3.94Å; V120-F138 HydrophobicContact CG1-CG 4.33Å; V120-F138 HydrophobicContact CG2-CD1 3.94Å; V120-F138 HydrophobicContact CG2-CE1 4.11Å; Q136-F138 PolarHBondContact O-N 3.13Å; F138-A167 HydrophobicContact CB-CB 4.16Å; F138-A167 WeakPolarHBondContact O-CB 3.45Å
139	T	87.2	Confident	83.9	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.107	C	C	.	.			trans	-135.1	1.9	-167.3	55.7	0	0	0	0	113.2	T137 Y141 A142 N164 A167 Q208 F212	T137-T139 PolarHBondContact O-N 2.73Å; T137-T139 PolarHBondContact O-OG1 3.08Å; T137-T139 PolarHBondContact OG1-OG1 3.36Å; T139-Y141 VanDerWaalsContact C-N 3.28Å; T139-Y141 PolarHBondContact O-N 3.33Å; T139-A142 PolarHBondContact O-N 2.89Å; T139-A142 VanDerWaalsContact O-N 3.09Å; T139-N164 WeakPolarHBondContact CB-OD1 3.34Å; T139-N164 HydrophobicContact CG2-CB 4.16Å; T139-N164 WeakPolarHBondContact CG2-OD1 3.27Å; T139-A167 HydrophobicContact CG2-CB 3.64Å; T139-Q208 PolarHBondContact O-NE2 3.16Å; T139-F212 HydrophobicContact CG2-CE1 4.28Å
140	F	72.5	Confident	82.1	Confident	46 Å²	46	24.1 Å²	24.1	20%	0.202	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-42.1	-174.1	175.1	-93.2	0	0	0	114.3	S187 E223 Y224	F140-S187 WeakPolarHBondContact CE2-OG 3.42Å; F140-S187 PolarHBondContact O-OG 3.24Å; F140-E223 HydrophobicContact CD2-CG 4.1Å; F140-E223 HydrophobicContact CE2-CG 4.14Å; F140-Y224 VanDerWaalsContact CE2-CB 3.5Å; F140-Y224 HydrophobicContact CE2-CD1 4.38Å; F140-Y224 AromaticContact CE2-CG 3.97Å; F140-Y224 HydrophobicContact CE2-CG 3.97Å; F140-Y224 AromaticContact CZ-CD1 3.7Å; F140-Y224 HydrophobicContact CZ-CD1 3.7Å; F140-Y224 HydrophobicContact CZ-CD2 4.08Å; F140-Y224 HydrophobicContact CZ-CE1 4.39Å; F140-Y224 AromaticContact CZ-CG 3.56Å; F140-Y224 HydrophobicContact CZ-CG 3.56Å
141	Y	66.9	Low	80.1	Confident	41 Å²	41	25.2 Å²	25.2	16%	0.161	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	46.2	179.1	-157.7	-91.3	0	0	0	111.2	P107 T109 P110 T139 K146 N149	P107-Y141 WeakPolarHBondContact O-CD1 3.39Å; P107-Y141 WeakPolarHBondContact O-CE1 3.48Å; T109-Y141 HydrophobicContact CG2-CD1 3.5Å; T109-Y141 HydrophobicContact CG2-CE1 3.81Å; P110-Y141 WeakPolarHBondContact CD-O 3.44Å; T139-Y141 VanDerWaalsContact C-N 3.28Å; T139-Y141 PolarHBondContact O-N 3.33Å; Y141-K146 HydrophobicContact CD1-CB 3.73Å; Y141-K146 HydrophobicContact CD1-CG 4.5Å; Y141-K146 HydrophobicContact CD2-CB 4.03Å; Y141-K146 HydrophobicContact CD2-CD 3.58Å; Y141-K146 HydrophobicContact CD2-CG 3.89Å; Y141-K146 HydrophobicContact CE1-CB 3.56Å; Y141-K146 HydrophobicContact CE1-CG 4.32Å; Y141-K146 WeakPolarHBondContact CE1-O 3.38Å; Y141-K146 HydrophobicContact CE2-CB 3.84Å; Y141-K146 HydrophobicContact CE2-CD 3.84Å; Y141-K146 HydrophobicContact CE2-CG 3.64Å; Y141-K146 HydrophobicContact CG-CB 3.96Å; Y141-K146 HydrophobicContact CG-CD 4Å; Y141-K146 HydrophobicContact CG-CG 4.3Å; Y141-K146 PolarHBondContact OH-O 2.91Å; Y141-N149 PolarHBondContact OH-ND2 3.26Å
142	A	72.7	Confident	78.4	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.008	12%	0.124	C	C	.	.			trans	-129.6	27.9	-178.4	0	0	0	0	0	114.6	P110 T139 L147 N164	P110-A142 HydrophobicContact CG-CB 3.66Å; T139-A142 PolarHBondContact O-N 2.89Å; T139-A142 VanDerWaalsContact O-N 3.09Å; A142-L147 HydrophobicContact CB-CD1 4.38Å; A142-N164 WeakPolarHBondContact CB-OD1 3.41Å; A142-N164 PolarHBondContact O-ND2 3.47Å
143	S	70.2	Confident	76.7	Confident	3 Å²	3	30.5 Å²	30.5	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	-72.9	152	153.9	58.8	0	0	0	0	109.9	D145 K146 L147 V204	S143-D145 VanDerWaalsContact C-N 3.29Å; S143-D145 WeakPolarHBondContact CB-OD1 3.47Å; S143-D145 PolarHBondContact O-N 3.37Å; S143-D145 PolarHBondContact OG-OD1 3.37Å; S143-K146 WeakPolarHBondContact O-CB 3.49Å; S143-K146 PolarHBondContact O-N 3.16Å; S143-K146 VanDerWaalsContact O-N 3.1Å; S143-K146 WeakPolarHBondContact OG-CB 3.47Å; S143-K146 WeakPolarHBondContact OG-CD 3.48Å; S143-K146 VanDerWaalsContact OG-CG 3.22Å; S143-K146 WeakPolarHBondContact OG-CG 3.36Å; S143-L147 WeakPolarHBondContact O-CG 3.47Å; S143-L147 PolarHBondContact O-N 2.89Å; S143-V204 VanDerWaalsContact CB-CG1 3.5Å
144	E	71.5	Confident	75.2	Confident	94 Å²	94	30.7 Å²	30.7	44%	0.439	14%	0.143	S	C	.	.	H	α-helix	trans	-59.7	-41.3	-176.5	-63.3	179.9	145.8	0	0	111.6	K146 L147 E148 L155 Q207	E144-K146 PolarHBondContact O-N 3.41Å; E144-L147 PolarHBondContact O-N 3.43Å; E144-L147 VanDerWaalsContact O-N 3.16Å; E144-E148 PolarHBondContact O-N 3.04Å; E144-E148 VanDerWaalsContact O-N 3.11Å; E144-L155 HydrophobicContact CB-CD1 4.33Å; E144-L155 WeakPolarHBondContact O-CD1 3.47Å; E144-Q207 PolarHBondContact OE2-NE2 2.96Å
145	D	67.6	Low	73.5	Confident	19 Å²	19	32.5 Å²	32.5	10%	0.102	15%	0.153	C	C	.	.	H	α-helix	trans	-67.3	-15.8	179.1	81	-35.9	0	0	0	114.8	S143 P190 S191 Q448	S143-D145 VanDerWaalsContact C-N 3.29Å; S143-D145 WeakPolarHBondContact CB-OD1 3.47Å; S143-D145 PolarHBondContact O-N 3.37Å; S143-D145 PolarHBondContact OG-OD1 3.37Å; D145-P190 WeakPolarHBondContact OD2-CD 3.44Å; D145-S191 VanDerWaalsContact OD2-CB 3.32Å; D145-S191 WeakPolarHBondContact OD2-CB 3.42Å; D145-S191 PolarHBondContact OD2-N 3.46Å; D145-S191 VanDerWaalsContact OD2-N 3.16Å; D145-S191 PolarHBondContact OD2-OG 3.26Å; D145-Q448 PolarHBondContact O-NE2 2.69Å
146	K	71.3	Confident	71.9	Confident	3 Å²	3	38.8 Å²	38.8	1%	0.013	18%	0.182	C	C	.	.	H	α-helix	trans	-89.4	-43.3	171.5	-76.2	175.5	-167.4	164.7	0	110.9	Y141 S143 E144 E148 N149 S187 Q188 P190	Y141-K146 HydrophobicContact CD1-CB 3.73Å; Y141-K146 HydrophobicContact CD1-CG 4.5Å; Y141-K146 HydrophobicContact CD2-CB 4.03Å; Y141-K146 HydrophobicContact CD2-CD 3.58Å; Y141-K146 HydrophobicContact CD2-CG 3.89Å; Y141-K146 HydrophobicContact CE1-CB 3.56Å; Y141-K146 HydrophobicContact CE1-CG 4.32Å; Y141-K146 WeakPolarHBondContact CE1-O 3.38Å; Y141-K146 HydrophobicContact CE2-CB 3.84Å; Y141-K146 HydrophobicContact CE2-CD 3.84Å; Y141-K146 HydrophobicContact CE2-CG 3.64Å; Y141-K146 HydrophobicContact CG-CB 3.96Å; Y141-K146 HydrophobicContact CG-CD 4Å; Y141-K146 HydrophobicContact CG-CG 4.3Å; Y141-K146 PolarHBondContact OH-O 2.91Å; S143-K146 WeakPolarHBondContact O-CB 3.49Å; S143-K146 PolarHBondContact O-N 3.16Å; S143-K146 VanDerWaalsContact O-N 3.1Å; S143-K146 WeakPolarHBondContact OG-CB 3.47Å; S143-K146 WeakPolarHBondContact OG-CD 3.48Å; S143-K146 VanDerWaalsContact OG-CG 3.22Å; S143-K146 WeakPolarHBondContact OG-CG 3.36Å; E144-K146 PolarHBondContact O-N 3.41Å; K146-E148 VanDerWaalsContact C-N 3.27Å; K146-E148 PolarHBondContact O-N 3.48Å; K146-N149 VanDerWaalsContact O-CB 3.31Å; K146-N149 WeakPolarHBondContact O-CB 3.34Å; K146-N149 PolarHBondContact O-N 3.09Å; K146-S187 PolarHBondContact NZ-O 3.22Å; K146-S187 PolarHBondContact NZ-OG 3.41Å; K146-Q188 WeakPolarHBondContact CE-O 3.22Å; K146-Q188 PolarHBondContact NZ-O 3.36Å; K146-P190 HydrophobicContact CG-CG 3.89Å
147	L	68	Low	70.3	Confident	0 Å²	0	46 Å²	46	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.2	-19.5	-178.8	-64.3	168.7	0	0	0	114	T109 A142 S143 E144 N152 V154 L155	T109-L147 HydrophobicContact CG2-CD2 3.94Å; A142-L147 HydrophobicContact CB-CD1 4.38Å; S143-L147 WeakPolarHBondContact O-CG 3.47Å; S143-L147 PolarHBondContact O-N 2.89Å; E144-L147 PolarHBondContact O-N 3.43Å; E144-L147 VanDerWaalsContact O-N 3.16Å; L147-N152 PolarHBondContact O-ND2 2.9Å; L147-V154 HydrophobicContact CD2-CG1 4.31Å; L147-L155 HydrophobicContact CB-CD1 3.64Å; L147-L155 HydrophobicContact CB-CD2 4.45Å; L147-L155 HydrophobicContact CB-CG 3.64Å; L147-L155 HydrophobicContact CD1-CD2 4.12Å; L147-L155 HydrophobicContact CD1-CG 4.2Å
148	E	67.2	Low	68.9	Low	110 Å²	110	46.8 Å²	46.8	51%	0.514	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	0.3	176.3	-113.1	169.5	-134.4	0	0	114.5	E144 K146 L155	E144-E148 PolarHBondContact O-N 3.04Å; E144-E148 VanDerWaalsContact O-N 3.11Å; K146-E148 VanDerWaalsContact C-N 3.27Å; K146-E148 PolarHBondContact O-N 3.48Å; E148-L155 HydrophobicContact CB-CD1 4.12Å; E148-L155 HydrophobicContact CG-CD1 3.77Å
149	N	62.4	Low	67.9	Low	25 Å²	25	49.4 Å²	49.4	13%	0.134	24%	0.236	C	C	.	.	S	Bend	trans	-84.9	141.7	-167.1	-166.3	25.8	0	0	0	113.6	Y141 K146 G151 N152 Q449	Y141-N149 PolarHBondContact OH-ND2 3.26Å; K146-N149 VanDerWaalsContact O-CB 3.31Å; K146-N149 WeakPolarHBondContact O-CB 3.34Å; K146-N149 PolarHBondContact O-N 3.09Å; N149-G151 PolarHBondContact O-N 3.31Å; N149-N152 VanDerWaalsContact O-CB 3.27Å; N149-N152 WeakPolarHBondContact O-CB 3.32Å; N149-N152 PolarHBondContact O-N 3.02Å; N149-N152 VanDerWaalsContact O-N 3.14Å; N149-Q449 PolarHBondContact OD1-O 3.03Å
150	R	60.4	Low	67.2	Low	114 Å²	114	49.4 Å²	49.4	43%	0.43	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.5	58	169.3	-66.6	-173.4	-177.5	-161.6	0.2	115.6	N152 E445 Q449	R150-N152 VanDerWaalsContact C-N 3.33Å; R150-N152 PolarHBondContact O-N 3.28Å; R150-E445 PolarHBondContact NH2-O 2.76Å; R150-E445 VanDerWaalsContact NH2-O 3.1Å; R150-Q449 WeakPolarHBondContact CA-O 3.5Å; R150-Q449 PolarHBondContact N-O 3.36Å
151	G	56.7	Low	67.7	Low	25 Å²	25	52.2 Å²	52.2	26%	0.258	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	20.1	175.6	0	0	0	0	0	114.1	N149 Y153 K450	N149-G151 PolarHBondContact O-N 3.31Å; G151-Y153 WeakPolarHBondContact O-CD2 3.47Å; G151-Y153 WeakPolarHBondContact O-CE2 3.2Å; G151-K450 PolarHBondContact N-O 3.48Å
152	N	63.8	Low	68.6	Low	21 Å²	21	56 Å²	56	11%	0.112	27%	0.268	C	S	.	.			trans	-87.1	121.5	170.3	-165.4	57.4	0	0	0	111.3	P107 L147 N149 R150 V154	P107-N152 HydrophobicContact CB-CB 4.26Å; L147-N152 PolarHBondContact O-ND2 2.9Å; N149-N152 VanDerWaalsContact O-CB 3.27Å; N149-N152 WeakPolarHBondContact O-CB 3.32Å; N149-N152 PolarHBondContact O-N 3.02Å; N149-N152 VanDerWaalsContact O-N 3.14Å; R150-N152 VanDerWaalsContact C-N 3.33Å; R150-N152 PolarHBondContact O-N 3.28Å; N152-V154 WeakPolarHBondContact ND2-CB 3.44Å; N152-V154 WeakPolarHBondContact ND2-CG2 3.37Å
153	Y	64.1	Low	69.3	Low	100 Å²	100	56 Å²	56	39%	0.392	27%	0.268	S	S	.	.			trans	-111.6	25.1	-176	-54.1	-78.4	0	0	0	112.4	G151 E156	G151-Y153 WeakPolarHBondContact O-CD2 3.47Å; G151-Y153 WeakPolarHBondContact O-CE2 3.2Å; Y153-E156 PolarHBondContact O-N 3.21Å
154	V	66.2	Low	70.2	Confident	15 Å²	15	56.2 Å²	56.2	9%	0.091	27%	0.268	C	S	.	.	S	Bend	trans	-63.4	-42.1	179.1	171.9	0	0	0	0	110.8	E111 L147 N152 E156 K157 I158	E111-V154 HydrophobicContact CB-CG1 4.03Å; E111-V154 HydrophobicContact CB-CG2 4.41Å; E111-V154 HydrophobicContact CG-CG2 4.29Å; L147-V154 HydrophobicContact CD2-CG1 4.31Å; N152-V154 WeakPolarHBondContact ND2-CB 3.44Å; N152-V154 WeakPolarHBondContact ND2-CG2 3.37Å; V154-E156 PolarHBondContact O-N 2.8Å; V154-K157 PolarHBondContact O-N 2.84Å; V154-I158 PolarHBondContact O-N 3.03Å
155	L	63.7	Low	71.3	Confident	38 Å²	38	53.3 Å²	53.3	20%	0.199	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.9	178.5	-84.1	170.6	0	0	0	114	E144 L147 E148 K157 I158	E144-L155 HydrophobicContact CB-CD1 4.33Å; E144-L155 WeakPolarHBondContact O-CD1 3.47Å; L147-L155 HydrophobicContact CB-CD1 3.64Å; L147-L155 HydrophobicContact CB-CD2 4.45Å; L147-L155 HydrophobicContact CB-CG 3.64Å; L147-L155 HydrophobicContact CD1-CD2 4.12Å; L147-L155 HydrophobicContact CD1-CG 4.2Å; E148-L155 HydrophobicContact CB-CD1 4.12Å; E148-L155 HydrophobicContact CG-CD1 3.77Å; L155-K157 PolarHBondContact O-N 3.49Å; L155-I158 WeakPolarHBondContact CA-O 3.44Å
156	E	65.8	Low	72.6	Confident	132 Å²	132	53.5 Å²	53.5	62%	0.617	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-13.1	175	-56.8	-173	167.5	0	0	112.7	Y153 V154 K450	Y153-E156 PolarHBondContact O-N 3.21Å; V154-E156 PolarHBondContact O-N 2.8Å; E156-K450 IonicContact OE1-NZ 3.73Å
157	K	63.8	Low	73.8	Confident	166 Å²	166	53.3 Å²	53.3	72%	0.722	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-38.3	-177.2	-59.9	178.1	-175.2	174	0	113.6	V154 L155	V154-K157 PolarHBondContact O-N 2.84Å; L155-K157 PolarHBondContact O-N 3.49Å
158	I	69.3	Low	75.3	Confident	21 Å²	21	53.5 Å²	53.5	11%	0.108	26%	0.259	C	S	.	.	S	Bend	trans	-143	123.3	-174	-49.8	179.5	0	0	0	108.3	V114 E115 V154 L155 K162 V163	V114-I158 HydrophobicContact CB-CD1 4.2Å; V114-I158 HydrophobicContact CG1-CD1 4.08Å; V114-I158 HydrophobicContact CG2-CG2 4.32Å; E115-I158 HydrophobicContact CG-CD1 4.09Å; V154-I158 PolarHBondContact O-N 3.03Å; L155-I158 WeakPolarHBondContact CA-O 3.44Å; I158-K162 HydrophobicContact CG2-CB 4.14Å; I158-K162 HydrophobicContact CG2-CD 4.17Å; I158-K162 HydrophobicContact CG2-CG 4.32Å; I158-V163 HydrophobicContact CB-CG2 4.34Å; I158-V163 HydrophobicContact CG2-CG2 3.65Å
159	S	73.9	Confident	76.7	Confident	63 Å²	63	52.2 Å²	52.2	44%	0.441	26%	0.256	S	S	.	.			trans	-63.9	141.7	175.7	62.6	0	0	0	0	111.5	Q161 K162 V163	S159-Q161 PolarHBondContact O-N 3.21Å; S159-K162 WeakPolarHBondContact O-CB 3.4Å; S159-K162 PolarHBondContact O-N 2.81Å; S159-V163 PolarHBondContact O-N 2.89Å
160	G	73.8	Confident	78.5	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-56.4	-37.3	179.5	0	0	0	0	0	112.7	K162 V163 N164	G160-K162 VanDerWaalsContact C-N 3.33Å; G160-K162 PolarHBondContact O-N 3.35Å; G160-V163 PolarHBondContact O-N 2.97Å; G160-N164 WeakPolarHBondContact O-CB 3.28Å; G160-N164 PolarHBondContact O-N 3.34Å; G160-N164 PolarHBondContact O-ND2 3.03Å; G160-N164 VanDerWaalsContact O-ND2 3.16Å
161	Q	82.8	Confident	80.3	Confident	104 Å²	104	45.9 Å²	45.9	49%	0.486	23%	0.231	S	C	.	.	H	α-helix	trans	-55.3	-43.7	171.5	-176.4	177.9	7.6	0	0	112.9	S159 N164 E165 V211	S159-Q161 PolarHBondContact O-N 3.21Å; Q161-N164 PolarHBondContact O-N 2.85Å; Q161-E165 HydrophobicContact CG-CG 4.31Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.48Å; Q161-E165 PolarHBondContact NE2-OE1 2.93Å; Q161-E165 WeakPolarHBondContact O-CB 3.48Å; Q161-E165 WeakPolarHBondContact O-CG 3.4Å; Q161-E165 PolarHBondContact O-N 3.02Å; Q161-V211 HydrophobicContact CG-CG2 4.04Å
162	K	86.4	Confident	82.3	Confident	122 Å²	122	46.9 Å²	46.9	53%	0.53	23%	0.226	S	C	.	.	H	α-helix	trans	-68	-36.6	-179.4	-175.2	176.1	175.8	-172.6	0	111.8	V114 I158 S159 G160 A166	V114-K162 HydrophobicContact CG2-CG 4.45Å; I158-K162 HydrophobicContact CG2-CB 4.14Å; I158-K162 HydrophobicContact CG2-CD 4.17Å; I158-K162 HydrophobicContact CG2-CG 4.32Å; S159-K162 WeakPolarHBondContact O-CB 3.4Å; S159-K162 PolarHBondContact O-N 2.81Å; G160-K162 VanDerWaalsContact C-N 3.33Å; G160-K162 PolarHBondContact O-N 3.35Å; K162-A166 WeakPolarHBondContact O-CB 3.24Å; K162-A166 PolarHBondContact O-N 3.31Å; K162-A166 VanDerWaalsContact O-N 3.08Å
163	V	87	Confident	84	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-48.2	172.6	-176.6	0	0	0	0	110.4	P110 A113 V114 I158 S159 G160 E165 A166 A167	P110-V163 HydrophobicContact CB-CG1 4.3Å; P110-V163 HydrophobicContact CG-CG1 3.87Å; P110-V163 VanDerWaalsContact O-CG1 3.3Å; P110-V163 WeakPolarHBondContact O-CG1 3.31Å; A113-V163 HydrophobicContact CB-CG1 4.33Å; V114-V163 HydrophobicContact CG2-CG2 4.27Å; I158-V163 HydrophobicContact CB-CG2 4.34Å; I158-V163 HydrophobicContact CG2-CG2 3.65Å; S159-V163 PolarHBondContact O-N 2.89Å; G160-V163 PolarHBondContact O-N 2.97Å; V163-E165 PolarHBondContact O-N 2.8Å; V163-A166 PolarHBondContact O-N 3.02Å; V163-A167 WeakPolarHBondContact O-CB 3.48Å; V163-A167 PolarHBondContact O-N 3.03Å
164	N	88.1	Confident	85.6	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-44.8	178.1	-72.3	-37.3	0	0	0	112.6	T139 A142 G160 Q161 A167 C168 V211	T139-N164 WeakPolarHBondContact CB-OD1 3.34Å; T139-N164 HydrophobicContact CG2-CB 4.16Å; T139-N164 WeakPolarHBondContact CG2-OD1 3.27Å; A142-N164 WeakPolarHBondContact CB-OD1 3.41Å; A142-N164 PolarHBondContact O-ND2 3.47Å; G160-N164 WeakPolarHBondContact O-CB 3.28Å; G160-N164 PolarHBondContact O-N 3.34Å; G160-N164 PolarHBondContact O-ND2 3.03Å; G160-N164 VanDerWaalsContact O-ND2 3.16Å; Q161-N164 PolarHBondContact O-N 2.85Å; N164-A167 PolarHBondContact O-N 3.31Å; N164-C168 WeakPolarHBondContact O-CB 3.46Å; N164-C168 PolarHBondContact O-N 3.38Å; N164-C168 PolarHBondContact O-SG 3.26Å; N164-V211 HydrophobicContact CB-CB 4.48Å; N164-V211 HydrophobicContact CB-CG1 3.93Å; N164-V211 HydrophobicContact CB-CG2 4.42Å
165	E	94.8	Very high	87.2	Confident	34 Å²	34	44.5 Å²	44.5	16%	0.159	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-42.6	178.7	-76.4	-171.9	-163.3	0	0	112.2	Q161 V163 C168 D169 V211 K214 K215	Q161-E165 HydrophobicContact CG-CG 4.31Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.48Å; Q161-E165 PolarHBondContact NE2-OE1 2.93Å; Q161-E165 WeakPolarHBondContact O-CB 3.48Å; Q161-E165 WeakPolarHBondContact O-CG 3.4Å; Q161-E165 PolarHBondContact O-N 3.02Å; V163-E165 PolarHBondContact O-N 2.8Å; E165-C168 PolarHBondContact O-N 3.48Å; E165-D169 VanDerWaalsContact O-CG 3.3Å; E165-D169 PolarHBondContact O-N 2.85Å; E165-V211 HydrophobicContact CG-CG1 3.66Å; E165-K214 IonicContact OE1-NZ 2.69Å; E165-K214 PolarHBondContact OE1-NZ 2.86Å; E165-K214 IonicContact OE2-NZ 2.98Å; E165-K214 PolarHBondContact OE2-NZ 3.05Å; E165-K215 VanDerWaalsContact CB-CE 3.46Å; E165-K215 WeakPolarHBondContact O-CE 3.4Å
166	A	95.4	Very high	88.8	Confident	22 Å²	22	46.9 Å²	46.9	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-66.5	-42.4	177	0	0	0	0	0	112.3	A113 V114 K162 V163 C168 D169 I170	A113-A166 HydrophobicContact CB-CB 4.41Å; V114-A166 HydrophobicContact CG2-CB 3.8Å; K162-A166 WeakPolarHBondContact O-CB 3.24Å; K162-A166 PolarHBondContact O-N 3.31Å; K162-A166 VanDerWaalsContact O-N 3.08Å; V163-A166 PolarHBondContact O-N 3.02Å; A166-C168 VanDerWaalsContact C-N 3.33Å; A166-C168 PolarHBondContact O-N 3.44Å; A166-D169 PolarHBondContact O-N 3.02Å; A166-I170 VanDerWaalsContact O-CG1 3.31Å; A166-I170 WeakPolarHBondContact O-CG1 3.33Å; A166-I170 PolarHBondContact O-N 2.88Å
167	A	96.6	Very high	90.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-40.8	175.6	0	0	0	0	0	112.1	A113 F138 T139 V163 N164 I170 A171	A113-A167 HydrophobicContact CB-CB 3.87Å; F138-A167 HydrophobicContact CB-CB 4.16Å; F138-A167 WeakPolarHBondContact O-CB 3.45Å; T139-A167 HydrophobicContact CG2-CB 3.64Å; V163-A167 WeakPolarHBondContact O-CB 3.48Å; V163-A167 PolarHBondContact O-N 3.03Å; N164-A167 PolarHBondContact O-N 3.31Å; A167-I170 PolarHBondContact O-N 2.88Å; A167-A171 WeakPolarHBondContact O-CB 3.48Å; A167-A171 PolarHBondContact O-N 2.89Å
168	C	98.2	Very high	92	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.02	21%	0.206	C	C	.	.	H	α-helix	trans	-63	-43.3	174	-68.1	0	0	0	0	112.4	T137 N164 E165 A166 A171 R172 K215	T137-C168 HydrophobicContact CG2-CB 4.41Å; N164-C168 WeakPolarHBondContact O-CB 3.46Å; N164-C168 PolarHBondContact O-N 3.38Å; N164-C168 PolarHBondContact O-SG 3.26Å; E165-C168 PolarHBondContact O-N 3.48Å; A166-C168 VanDerWaalsContact C-N 3.33Å; A166-C168 PolarHBondContact O-N 3.44Å; C168-A171 PolarHBondContact O-N 3Å; C168-R172 VanDerWaalsContact O-CB 3.3Å; C168-R172 WeakPolarHBondContact O-CB 3.42Å; C168-R172 PolarHBondContact O-N 3.29Å; C168-K215 HydrophobicContact CB-CB 3.78Å; C168-K215 HydrophobicContact CB-CD 4.16Å; C168-K215 HydrophobicContact CB-CG 3.63Å
169	D	98.6	Very high	93.3	Very high	83 Å²	83	41.8 Å²	41.8	44%	0.444	22%	0.222	S	C	.	.	H	α-helix	trans	-64.8	-39.8	179.4	-70.7	-24.9	0	0	0	112	E165 A166 Q173 K215	E165-D169 VanDerWaalsContact O-CG 3.3Å; E165-D169 PolarHBondContact O-N 2.85Å; A166-D169 PolarHBondContact O-N 3.02Å; D169-Q173 WeakPolarHBondContact O-CB 3.35Å; D169-Q173 PolarHBondContact O-N 3.46Å; D169-K215 WeakPolarHBondContact OD1-CD 3.17Å; D169-K215 WeakPolarHBondContact OD1-CE 3.15Å; D169-K215 IonicContact OD1-NZ 2.79Å; D169-K215 PolarHBondContact OD1-NZ 3.22Å; D169-K215 IonicContact OD2-NZ 3.26Å; D169-K215 PolarHBondContact OD2-NZ 3.39Å
170	I	98.7	Very high	94.5	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.036	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-46.4	176.3	-65.6	164.4	0	0	0	110.9	A113 P117 V120 R121 A166 A167 R172 Q173 V174	A113-I170 HydrophobicContact CB-CD1 4.5Å; A113-I170 WeakPolarHBondContact O-CD1 3.26Å; P117-I170 HydrophobicContact CB-CD1 3.68Å; V120-I170 HydrophobicContact CB-CD1 4.34Å; V120-I170 HydrophobicContact CB-CG2 4.48Å; V120-I170 HydrophobicContact CG1-CD1 4.41Å; V120-I170 HydrophobicContact CG1-CG2 4.1Å; R121-I170 HydrophobicContact CB-CG2 3.73Å; R121-I170 HydrophobicContact CG-CG2 4.29Å; A166-I170 VanDerWaalsContact O-CG1 3.31Å; A166-I170 WeakPolarHBondContact O-CG1 3.33Å; A166-I170 PolarHBondContact O-N 2.88Å; A167-I170 PolarHBondContact O-N 2.88Å; I170-R172 VanDerWaalsContact C-N 3.33Å; I170-R172 PolarHBondContact O-N 3.37Å; I170-Q173 PolarHBondContact O-N 3.07Å; I170-V174 PolarHBondContact O-N 3.41Å; I170-V174 VanDerWaalsContact O-N 3.13Å
171	A	98.7	Very high	95.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-41.8	177.2	0	0	0	0	0	111.4	M135 T137 A167 C168 V174 A175 V182	M135-A171 HydrophobicContact CB-CB 4.22Å; T137-A171 HydrophobicContact CG2-CB 4.21Å; A167-A171 WeakPolarHBondContact O-CB 3.48Å; A167-A171 PolarHBondContact O-N 2.89Å; C168-A171 PolarHBondContact O-N 3Å; A171-V174 PolarHBondContact O-N 3.38Å; A171-A175 VanDerWaalsContact O-CB 3.25Å; A171-A175 WeakPolarHBondContact O-CB 3.3Å; A171-A175 PolarHBondContact O-N 2.92Å; A171-V182 HydrophobicContact CB-CG1 4.05Å; A171-V182 HydrophobicContact CB-CG2 4.31Å
172	R	98.7	Very high	96.4	Very high	45 Å²	45	34 Å²	34	17%	0.17	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-47.3	175	177.7	56.5	63.9	-151.8	6.8	112.3	C168 I170 V174 A175 D176 V182 N216 D218	C168-R172 VanDerWaalsContact O-CB 3.3Å; C168-R172 WeakPolarHBondContact O-CB 3.42Å; C168-R172 PolarHBondContact O-N 3.29Å; I170-R172 VanDerWaalsContact C-N 3.33Å; I170-R172 PolarHBondContact O-N 3.37Å; R172-V174 VanDerWaalsContact C-N 3.27Å; R172-V174 PolarHBondContact O-N 3.28Å; R172-A175 PolarHBondContact O-N 2.93Å; R172-D176 WeakPolarHBondContact CD-OD2 3.44Å; R172-D176 IonicContact NH1-OD1 2.83Å; R172-D176 PolarHBondContact O-N 2.99Å; R172-D176 VanDerWaalsContact O-N 3.08Å; R172-V182 HydrophobicContact CB-CG2 4.21Å; R172-N216 PolarHBondContact NH2-O 3.4Å; R172-D218 IonicContact CZ-OD2 3.78Å; R172-D218 VanDerWaalsContact CZ-OD2 3.23Å; R172-D218 IonicContact NH1-OD1 2.75Å; R172-D218 IonicContact NH1-OD2 3.35Å; R172-D218 PolarHBondContact NH1-OD2 3.2Å; R172-D218 IonicContact NH2-OD1 3.4Å; R172-D218 IonicContact NH2-OD2 3.8Å; R172-D218 PolarHBondContact NH2-OD2 3.2Å
173	Q	98.8	Very high	97	Very high	86 Å²	86	28.2 Å²	28.2	40%	0.402	15%	0.153	S	C	.	.	H	α-helix	trans	-52.1	-48.6	177.1	178.4	179.6	11.3	0	0	110.9	D169 I170 E177	D169-Q173 WeakPolarHBondContact O-CB 3.35Å; D169-Q173 PolarHBondContact O-N 3.46Å; I170-Q173 PolarHBondContact O-N 3.07Å; Q173-E177 WeakPolarHBondContact O-CG 3.44Å
174	V	98.8	Very high	97.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-78	-37.4	-177.2	-179.2	0	0	0	0	112.2	R121 H124 R125 L128 M135 I170 A171 R172 D176 E177	R121-V174 HydrophobicContact CG-CG2 3.73Å; H124-V174 HydrophobicContact CB-CB 3.85Å; H124-V174 HydrophobicContact CB-CG1 3.78Å; H124-V174 HydrophobicContact CB-CG2 3.87Å; R125-V174 HydrophobicContact CB-CG1 4.39Å; R125-V174 HydrophobicContact CG-CB 4.42Å; R125-V174 HydrophobicContact CG-CG1 3.68Å; R125-V174 HydrophobicContact CG-CG2 3.83Å; L128-V174 HydrophobicContact CB-CG1 4.15Å; L128-V174 HydrophobicContact CD2-CG1 3.83Å; L128-V174 WeakPolarHBondContact CD2-O 3.4Å; M135-V174 HydrophobicContact SD-CG1 4.2Å; I170-V174 PolarHBondContact O-N 3.41Å; I170-V174 VanDerWaalsContact O-N 3.13Å; A171-V174 PolarHBondContact O-N 3.38Å; R172-V174 VanDerWaalsContact C-N 3.27Å; R172-V174 PolarHBondContact O-N 3.28Å; V174-D176 PolarHBondContact O-N 3.26Å; V174-E177 WeakPolarHBondContact O-CB 3.43Å; V174-E177 PolarHBondContact O-N 3.24Å
175	A	98.6	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.2	-37.8	176.5	0	0	0	0	0	112.2	M135 A171 R172 E177 G178 A180 V182	M135-A175 HydrophobicContact CB-CB 4.4Å; M135-A175 HydrophobicContact CG-CB 3.94Å; A171-A175 VanDerWaalsContact O-CB 3.25Å; A171-A175 WeakPolarHBondContact O-CB 3.3Å; A171-A175 PolarHBondContact O-N 2.92Å; R172-A175 PolarHBondContact O-N 2.93Å; A175-E177 VanDerWaalsContact C-N 3.27Å; A175-E177 PolarHBondContact O-N 3.32Å; A175-G178 PolarHBondContact O-N 2.75Å; A175-G178 VanDerWaalsContact O-O 3.11Å; A175-A180 HydrophobicContact CB-CB 4.27Å; A175-V182 HydrophobicContact CB-CG2 3.57Å
176	D	98.4	Very high	97.9	Very high	89 Å²	89	26.3 Å²	26.3	48%	0.476	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-3.8	178.3	-65.1	-21.6	0	0	0	113.8	K74 R172 V174 G178	K74-D176 IonicContact NZ-OD1 3.62Å; K74-D176 PolarHBondContact NZ-OD1 3.05Å; R172-D176 WeakPolarHBondContact CD-OD2 3.44Å; R172-D176 IonicContact NH1-OD1 2.83Å; R172-D176 PolarHBondContact O-N 2.99Å; R172-D176 VanDerWaalsContact O-N 3.08Å; V174-D176 PolarHBondContact O-N 3.26Å; D176-G178 VanDerWaalsContact C-N 3.33Å
177	E	98.5	Very high	97.8	Very high	89 Å²	89	25.3 Å²	25.3	42%	0.416	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-11	168.3	-69.5	169.1	-168.6	0	0	112.7	R125 L128 Q173 V174 A175	R125-E177 IonicContact CZ-OE1 3.95Å; R125-E177 IonicContact CZ-OE2 3.89Å; R125-E177 IonicContact NE-OE1 2.77Å; R125-E177 PolarHBondContact NE-OE1 3.13Å; R125-E177 IonicContact NE-OE2 3.23Å; R125-E177 PolarHBondContact NE-OE2 3.47Å; R125-E177 IonicContact NH2-OE1 3.66Å; R125-E177 PolarHBondContact NH2-OE1 2.87Å; R125-E177 IonicContact NH2-OE2 2.76Å; L128-E177 HydrophobicContact CD2-CB 4.06Å; Q173-E177 WeakPolarHBondContact O-CG 3.44Å; V174-E177 WeakPolarHBondContact O-CB 3.43Å; V174-E177 PolarHBondContact O-N 3.24Å; A175-E177 VanDerWaalsContact C-N 3.27Å; A175-E177 PolarHBondContact O-N 3.32Å
178	G	97.3	Very high	97.5	Very high	40 Å²	40	26 Å²	26	41%	0.412	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-154.5	-159.4	-177	0	0	0	0	0	114.9	A175 D176 A180	A175-G178 PolarHBondContact O-N 2.75Å; A175-G178 VanDerWaalsContact O-O 3.11Å; D176-G178 VanDerWaalsContact C-N 3.33Å; G178-A180 VanDerWaalsContact C-N 3.32Å; G178-A180 PolarHBondContact O-N 2.89Å
179	D	97.5	Very high	96.9	Very high	82 Å²	82	25.9 Å²	25.9	44%	0.439	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	63.4	178.7	-170.9	48	0	0	0	111.6	R80 N133	R80-D179 IonicContact CZ-OD1 3.13Å; R80-D179 IonicContact CZ-OD2 2.99Å; R80-D179 IonicContact NH1-OD1 3.89Å; R80-D179 IonicContact NH1-OD2 3.36Å; R80-D179 PolarHBondContact NH1-OD2 2.75Å; R80-D179 VanDerWaalsContact NH2-CG 3.32Å; R80-D179 IonicContact NH2-OD1 2.7Å; R80-D179 PolarHBondContact NH2-OD1 3.3Å; R80-D179 IonicContact NH2-OD2 3.74Å; R80-D179 PolarHBondContact NH2-OD2 3.22Å; N133-D179 PolarHBondContact ND2-O 3.45Å
180	A	98.4	Very high	96	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	12%	0.123	C	C	.	.			trans	-134.6	159.9	-176.2	0	0	0	0	0	114.3	L128 N133 M135 A175 G178	L128-A180 HydrophobicContact CD1-CB 3.58Å; N133-A180 CarbonylContact O-C 3.52Å; N133-A180 VanDerWaalsContact O-CA 3.26Å; N133-A180 WeakPolarHBondContact O-CA 3.32Å; M135-A180 HydrophobicContact CE-CB 4.46Å; M135-A180 HydrophobicContact CG-CB 4.49Å; A175-A180 HydrophobicContact CB-CB 4.27Å; G178-A180 VanDerWaalsContact C-N 3.32Å; G178-A180 PolarHBondContact O-N 2.89Å
181	L	98.8	Very high	94.9	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	154.9	176.6	-60.3	-179.7	0	0	0	109.6	K74 I77 N133 V134 M135 D218 F219	K74-L181 HydrophobicContact CD-CD2 4.35Å; I77-L181 HydrophobicContact CB-CD1 3.88Å; I77-L181 HydrophobicContact CD1-CD1 4.46Å; N133-L181 PolarHBondContact O-N 3.38Å; V134-L181 CarbonylContact C-O 3.55Å; V134-L181 WeakPolarHBondContact CA-O 3.44Å; M135-L181 PolarHBondContact N-O 2.89Å; L181-D218 WeakPolarHBondContact CA-OD2 3.38Å; L181-D218 HydrophobicContact CB-CB 3.9Å; L181-D218 HydrophobicContact CD2-CB 3.97Å; L181-D218 HydrophobicContact CG-CB 4.36Å; L181-F219 HydrophobicContact CB-CD1 4.35Å; L181-F219 HydrophobicContact CB-CE1 4.1Å; L181-F219 HydrophobicContact CD1-CD1 4.46Å; L181-F219 HydrophobicContact CD1-CE1 4.47Å
182	V	98.8	Very high	94	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.4	171	178.8	0	0	0	0	109.4	M135 T137 A171 R172 A175 V217 D218 F219	M135-V182 WeakPolarHBondContact O-CA 3.19Å; T137-V182 HydrophobicContact CG2-CG1 3.53Å; A171-V182 HydrophobicContact CB-CG1 4.05Å; A171-V182 HydrophobicContact CB-CG2 4.31Å; R172-V182 HydrophobicContact CB-CG2 4.21Å; A175-V182 HydrophobicContact CB-CG2 3.57Å; V182-V217 HydrophobicContact CG1-CB 4.32Å; V182-V217 HydrophobicContact CG1-CG1 3.97Å; V182-D218 PolarHBondContact N-OD2 2.74Å; V182-D218 PolarHBondContact O-N 2.9Å; V182-F219 PolarHBondContact O-N 3.38Å
183	A	98.8	Very high	92.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.5	177.8	0	0	0	0	0	111.1	V134 M135 Q136 T137 F219 I221	V134-A183 HydrophobicContact CG1-CB 3.64Å; M135-A183 PolarHBondContact O-N 2.93Å; M135-A183 VanDerWaalsContact O-N 3.08Å; Q136-A183 HydrophobicContact CG-CB 4.22Å; T137-A183 WeakPolarHBondContact CG2-O 3.45Å; T137-A183 PolarHBondContact N-O 3.33Å; T137-A183 PolarHBondContact OG1-O 3.47Å; A183-F219 WeakPolarHBondContact CA-O 3.35Å; A183-F219 HydrophobicContact CB-CD1 4.18Å; A183-F219 HydrophobicContact CB-CD2 4.3Å; A183-F219 HydrophobicContact CB-CE1 3.69Å; A183-F219 HydrophobicContact CB-CE2 3.83Å; A183-F219 HydrophobicContact CB-CG 4.46Å; A183-F219 HydrophobicContact CB-CZ 3.5Å; A183-I221 HydrophobicContact CB-CD1 3.6Å; A183-I221 HydrophobicContact CB-CG1 3.96Å
184	G	97.9	Very high	91.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	114.4	173.4	0	0	0	0	0	111.1	F219 L220 I221	G184-F219 PolarHBondContact N-O 3.28Å; G184-L220 WeakPolarHBondContact O-CA 3.37Å; G184-I221 PolarHBondContact O-N 2.99Å
185	G	95.5	Very high	90.8	Very high	1 Å²	1	22 Å²	22	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.5	-177.3	0	0	0	0	0	114	T137 F212 I221	T137-G185 PolarHBondContact OG1-N 2.83Å; G185-F212 WeakPolarHBondContact O-CZ 3.44Å; G185-I221 WeakPolarHBondContact CA-O 3.2Å
186	V	94.7	Very high	89.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	155	163.1	-55.6	0	0	0	0	110.1	F205 Q208 F212 I221 A222 E223 A234 L238	V186-F205 HydrophobicContact CB-CD1 4.08Å; V186-F205 HydrophobicContact CG2-CD1 4.14Å; V186-Q208 HydrophobicContact CG1-CB 3.96Å; V186-F212 HydrophobicContact CG1-CE2 3.83Å; V186-I221 PolarHBondContact N-O 3.03Å; V186-A222 HydrophobicContact CG2-CB 4.3Å; V186-E223 PolarHBondContact O-N 3.02Å; V186-A234 HydrophobicContact CG2-CB 4.37Å; V186-L238 HydrophobicContact CG1-CD2 4.26Å; V186-L238 HydrophobicContact CG2-CD1 3.79Å; V186-L238 HydrophobicContact CG2-CD2 4.31Å; V186-L238 HydrophobicContact CG2-CG 4.39Å
187	S	93.8	Very high	89.3	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.007	15%	0.147	C	C	.	.			trans	-145.4	165.1	-179.3	60.1	0	0	0	0	112.6	F140 K146 E223	F140-S187 WeakPolarHBondContact CE2-OG 3.42Å; F140-S187 PolarHBondContact O-OG 3.24Å; K146-S187 PolarHBondContact NZ-O 3.22Å; K146-S187 PolarHBondContact NZ-OG 3.41Å; S187-E223 WeakPolarHBondContact CA-O 3.31Å; S187-E223 WeakPolarHBondContact CB-O 3.3Å
188	Q	90	Very high	89	Confident	16 Å²	16	24.4 Å²	24.4	8%	0.075	15%	0.146	C	C	.	.			trans	-46.8	141.4	-175	74.8	-178.2	25	0	0	113.5	K146 Y224 F225 E226 E230	K146-Q188 WeakPolarHBondContact CE-O 3.22Å; K146-Q188 PolarHBondContact NZ-O 3.36Å; Q188-Y224 WeakPolarHBondContact CB-O 3.41Å; Q188-Y224 HydrophobicContact CG-CD1 3.94Å; Q188-Y224 HydrophobicContact CG-CE1 4.18Å; Q188-Y224 WeakPolarHBondContact CG-O 3.13Å; Q188-Y224 PolarHBondContact N-O 2.89Å; Q188-Y224 VanDerWaalsContact N-O 3.13Å; Q188-F225 HydrophobicContact CB-CD1 3.75Å; Q188-F225 HydrophobicContact CB-CE1 4.05Å; Q188-F225 HydrophobicContact CB-CG 4.32Å; Q188-E226 VanDerWaalsContact NE2-CD 3.33Å; Q188-E226 PolarHBondContact NE2-OE2 2.68Å; Q188-E226 PolarHBondContact OE1-OE2 2.94Å; Q188-E230 VanDerWaalsContact CB-OE2 3.27Å; Q188-E230 WeakPolarHBondContact CB-OE2 3.37Å
189	T	84.9	Confident	88.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.157	C	C	.	.			trans	-98.8	135.5	-172.5	64.1	0	0	0	0	110.7	S191 Y192 L193 V201 V204 F205 E230	T189-S191 PolarHBondContact O-N 3.08Å; T189-S191 VanDerWaalsContact O-N 3.15Å; T189-Y192 WeakPolarHBondContact O-CB 3.33Å; T189-Y192 PolarHBondContact O-N 3.47Å; T189-Y192 WeakPolarHBondContact OG1-CB 3.42Å; T189-Y192 PolarHBondContact OG1-N 3.18Å; T189-Y192 VanDerWaalsContact OG1-N 3.09Å; T189-L193 PolarHBondContact O-N 3.4Å; T189-V201 HydrophobicContact CG2-CG1 4.48Å; T189-V204 HydrophobicContact CG2-CB 4.2Å; T189-V204 HydrophobicContact CG2-CG1 3.86Å; T189-F205 HydrophobicContact CG2-CD1 4.36Å; T189-F205 HydrophobicContact CG2-CE1 3.6Å; T189-F205 HydrophobicContact CG2-CZ 3.9Å; T189-E230 WeakPolarHBondContact CB-OE1 3.26Å; T189-E230 PolarHBondContact N-OE1 3.35Å; T189-E230 PolarHBondContact OG1-OE1 3.07Å
190	P	81	Confident	88.3	Confident	16 Å²	16	27.6 Å²	27.6	10%	0.104	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-15.2	168.2	23.3	-28.2	0	0	0	112.2	D145 K146 S194 Q448	D145-P190 WeakPolarHBondContact OD2-CD 3.44Å; K146-P190 HydrophobicContact CG-CG 3.89Å; P190-S194 WeakPolarHBondContact O-CB 3.47Å; P190-S194 PolarHBondContact O-N 3.4Å; P190-S194 VanDerWaalsContact O-N 3.12Å; P190-S194 PolarHBondContact O-OG 2.96Å; P190-Q448 HydrophobicContact CB-CG 3.75Å; P190-Q448 HydrophobicContact CG-CG 4.48Å
191	S	75.4	Confident	88	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-57.3	-45	162.4	-69.7	0	0	0	0	114.4	D145 T189 S194 K196	D145-S191 VanDerWaalsContact OD2-CB 3.32Å; D145-S191 WeakPolarHBondContact OD2-CB 3.42Å; D145-S191 PolarHBondContact OD2-N 3.46Å; D145-S191 VanDerWaalsContact OD2-N 3.16Å; D145-S191 PolarHBondContact OD2-OG 3.26Å; T189-S191 PolarHBondContact O-N 3.08Å; T189-S191 VanDerWaalsContact O-N 3.15Å; S191-S194 CarbonylContact O-C 3.59Å; S191-S194 PolarHBondContact O-N 3.09Å; S191-K196 WeakPolarHBondContact O-CB 3.31Å; S191-K196 WeakPolarHBondContact O-CG 3.41Å; S191-K196 PolarHBondContact O-N 2.93Å; S191-K196 VanDerWaalsContact O-N 3.13Å; S191-K196 PolarHBondContact OG-NZ 2.92Å
192	Y	79	Confident	87.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.4	-43.3	176.9	172.5	-90.3	0	0	0	112.2	T189 S194 C195 H227 E229 E230 W233 H258 K441	T189-Y192 WeakPolarHBondContact O-CB 3.33Å; T189-Y192 PolarHBondContact O-N 3.47Å; T189-Y192 WeakPolarHBondContact OG1-CB 3.42Å; T189-Y192 PolarHBondContact OG1-N 3.18Å; T189-Y192 VanDerWaalsContact OG1-N 3.09Å; Y192-S194 PolarHBondContact O-N 2.91Å; Y192-C195 PolarHBondContact O-N 2.85Å; Y192-H227 HydrophobicContact CE1-CB 3.81Å; Y192-H227 AromaticContact CE1-CD2 3.84Å; Y192-H227 AromaticContact CE1-CE1 3.94Å; Y192-H227 AromaticContact CE1-CG 3.5Å; Y192-H227 VanDerWaalsContact CE1-CG 3.5Å; Y192-H227 AromaticContact CE1-ND1 3.56Å; Y192-H227 AromaticContact CZ-CG 3.94Å; Y192-H227 WeakPolarHBondContact OH-CB 3.32Å; Y192-E229 HydrophobicContact CE2-CB 4.44Å; Y192-E229 HydrophobicContact CE2-CG 4.18Å; Y192-E229 VanDerWaalsContact CE2-OE2 3.26Å; Y192-E229 WeakPolarHBondContact CE2-OE2 3.5Å; Y192-E229 PolarHBondContact OH-OE2 3.14Å; Y192-E230 VanDerWaalsContact CB-OE1 3.3Å; Y192-E230 WeakPolarHBondContact CB-OE1 3.28Å; Y192-E230 WeakPolarHBondContact CB-OE2 3.38Å; Y192-E230 HydrophobicContact CD1-CB 4.31Å; Y192-E230 HydrophobicContact CD1-CG 4.48Å; Y192-E230 WeakPolarHBondContact CD1-OE2 3.4Å; Y192-E230 HydrophobicContact CD2-CB 3.67Å; Y192-E230 HydrophobicContact CD2-CG 3.66Å; Y192-E230 HydrophobicContact CE1-CB 4.4Å; Y192-E230 HydrophobicContact CE2-CB 3.73Å; Y192-E230 HydrophobicContact CE2-CG 4.25Å; Y192-E230 HydrophobicContact CG-CB 3.96Å; Y192-E230 VanDerWaalsContact CG-CD 3.47Å; Y192-E230 HydrophobicContact CG-CG 3.79Å; Y192-W233 HydrophobicContact CD2-CE3 4.29Å; Y192-W233 HydrophobicContact CD2-CH2 4.36Å; Y192-W233 AromaticContact CD2-CZ3 3.67Å; Y192-W233 HydrophobicContact CD2-CZ3 3.67Å; Y192-W233 HydrophobicContact CE2-CH2 4.21Å; Y192-W233 AromaticContact CE2-CZ3 3.9Å; Y192-W233 HydrophobicContact CE2-CZ3 3.9Å; Y192-H258 PolarHBondContact OH-CE1 3.29Å; Y192-K441 HydrophobicContact CD1-CD 4.37Å; Y192-K441 HydrophobicContact CD1-CG 4.49Å; Y192-K441 HydrophobicContact CE1-CD 3.67Å; Y192-K441 HydrophobicContact CE1-CG 4.1Å; Y192-K441 HydrophobicContact CE2-CD 4.26Å; Y192-K441 VanDerWaalsContact CZ-CE 3.48Å; Y192-K441 VanDerWaalsContact CZ-NZ 3.33Å; Y192-K441 WeakPolarHBondContact O-CE 3.42Å; Y192-K441 PolarHBondContact OH-NZ 2.67Å
193	L	76.5	Confident	87.4	Confident	23 Å²	23	34.8 Å²	34.8	12%	0.12	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-31.6	175.4	-65	178.3	0	0	0	112.5	T189 C195 G442	T189-L193 PolarHBondContact O-N 3.4Å; L193-C195 PolarHBondContact O-N 3.06Å; L193-G442 PolarHBondContact O-N 3.25Å
194	S	76.1	Confident	86.9	Confident	21 Å²	21	35.4 Å²	35.4	15%	0.147	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	14.5	175.3	-53.1	0	0	0	0	113.7	P190 S191 Y192 K196 Q448	P190-S194 WeakPolarHBondContact O-CB 3.47Å; P190-S194 PolarHBondContact O-N 3.4Å; P190-S194 VanDerWaalsContact O-N 3.12Å; P190-S194 PolarHBondContact O-OG 2.96Å; S191-S194 CarbonylContact O-C 3.59Å; S191-S194 PolarHBondContact O-N 3.09Å; Y192-S194 PolarHBondContact O-N 2.91Å; S194-K196 VanDerWaalsContact C-N 3.29Å; S194-K196 PolarHBondContact O-N 3.01Å; S194-Q448 PolarHBondContact OG-N 3.25Å
195	C	77.8	Confident	86.8	Confident	77 Å²	77	35.4 Å²	35.4	52%	0.52	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	32.3	178.5	-63.3	0	0	0	0	115.2	Y192 L193 G442	Y192-C195 PolarHBondContact O-N 2.85Å; L193-C195 PolarHBondContact O-N 3.06Å; C195-G442 VanDerWaalsContact SG-CA 3.54Å
196	K	77.4	Confident	86.7	Confident	81 Å²	81	39.2 Å²	39.2	35%	0.352	21%	0.209	S	C	.	.			trans	-65.6	158.1	167.8	-63.4	-172.2	-162.8	153.3	0	110.6	S191 S194 E200 V201 Q448	S191-K196 WeakPolarHBondContact O-CB 3.31Å; S191-K196 WeakPolarHBondContact O-CG 3.41Å; S191-K196 PolarHBondContact O-N 2.93Å; S191-K196 VanDerWaalsContact O-N 3.13Å; S191-K196 PolarHBondContact OG-NZ 2.92Å; S194-K196 VanDerWaalsContact C-N 3.29Å; S194-K196 PolarHBondContact O-N 3.01Å; K196-E200 HydrophobicContact CB-CB 4.29Å; K196-V201 HydrophobicContact CB-CG2 4.47Å; K196-Q448 VanDerWaalsContact NZ-OE1 3.09Å
197	S	87.4	Confident	86.4	Confident	63 Å²	63	42.5 Å²	42.5	44%	0.441	23%	0.225	S	C	.	.			trans	-67.2	156.9	-179.7	63.4	0	0	0	0	112.3	T199 E200 V201	S197-T199 PolarHBondContact O-N 2.82Å; S197-E200 PolarHBondContact O-N 3.29Å; S197-E200 VanDerWaalsContact O-N 3.08Å; S197-E200 PolarHBondContact OG-N 3.05Å; S197-V201 PolarHBondContact O-N 3.42Å
198	E	91.4	Very high	86.3	Confident	83 Å²	83	42.6 Å²	42.6	39%	0.388	23%	0.225	S	C	.	.	H	α-helix	trans	-48.6	-44.6	172.4	176.6	178.6	153	0	0	111.9	E200 V201 K202 W233	E198-E200 PolarHBondContact O-N 2.61Å; E198-V201 PolarHBondContact O-N 3.23Å; E198-K202 HydrophobicContact CG-CD 3.92Å; E198-K202 HydrophobicContact CG-CG 4.26Å; E198-K202 WeakPolarHBondContact O-CB 3.08Å; E198-K202 WeakPolarHBondContact O-CG 3.22Å; E198-K202 PolarHBondContact O-N 3.16Å; E198-K202 WeakPolarHBondContact OE1-CE 3.18Å; E198-K202 IonicContact OE1-NZ 2.7Å; E198-K202 PolarHBondContact OE1-NZ 3.19Å; E198-W233 HydrophobicContact CB-CD2 4.2Å; E198-W233 HydrophobicContact CB-CE3 4.28Å; E198-W233 HydrophobicContact CB-CH2 3.85Å; E198-W233 HydrophobicContact CB-CZ2 3.75Å; E198-W233 HydrophobicContact CB-CZ3 4.09Å; E198-W233 VanDerWaalsContact CD-NE1 3.34Å; E198-W233 HydrophobicContact CG-CD2 3.7Å; E198-W233 HydrophobicContact CG-CE3 4.16Å; E198-W233 HydrophobicContact CG-CG 4.01Å; E198-W233 HydrophobicContact CG-CH2 4.4Å; E198-W233 HydrophobicContact CG-CZ2 3.97Å; E198-W233 HydrophobicContact CG-CZ3 4.46Å; E198-W233 PolarHBondContact OE2-NE1 3.32Å
199	T	92.2	Very high	86.5	Confident	105 Å²	105	42.3 Å²	42.3	64%	0.644	22%	0.224	S	C	*	.	H	α-helix	trans	-58.2	-45	178.9	-48	0	0	0	0	112.6	S197 K203	S197-T199 PolarHBondContact O-N 2.82Å; T199-K203 WeakPolarHBondContact O-CB 3.3Å; T199-K203 PolarHBondContact O-N 3.07Å
200	E	89.3	Confident	87	Confident	85 Å²	85	48.3 Å²	48.3	40%	0.397	25%	0.252	S	S	.	.	H	α-helix	trans	-72.2	-35.5	-179.7	-71.4	-64.2	107.2	0	0	111.6	K196 S197 E198 K203 V204	K196-E200 HydrophobicContact CB-CB 4.29Å; S197-E200 PolarHBondContact O-N 3.29Å; S197-E200 VanDerWaalsContact O-N 3.08Å; S197-E200 PolarHBondContact OG-N 3.05Å; E198-E200 PolarHBondContact O-N 2.61Å; E200-K203 WeakPolarHBondContact O-CB 3.48Å; E200-K203 PolarHBondContact O-N 3.1Å; E200-K203 IonicContact OE1-NZ 2.76Å; E200-V204 PolarHBondContact O-N 3.08Å
201	V	90.3	Very high	87.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.7	-46.7	174.4	174	0	0	0	0	111.3	T189 K196 S197 E198 K203 V204 F205 E230 W233	T189-V201 HydrophobicContact CG2-CG1 4.48Å; K196-V201 HydrophobicContact CB-CG2 4.47Å; S197-V201 PolarHBondContact O-N 3.42Å; E198-V201 PolarHBondContact O-N 3.23Å; V201-K203 VanDerWaalsContact C-N 3.26Å; V201-K203 PolarHBondContact O-N 3.33Å; V201-V204 WeakPolarHBondContact O-CB 3.44Å; V201-V204 PolarHBondContact O-N 3.48Å; V201-V204 VanDerWaalsContact O-N 3.09Å; V201-F205 HydrophobicContact CG1-CD2 4.37Å; V201-F205 HydrophobicContact CG1-CE2 3.59Å; V201-F205 HydrophobicContact CG1-CZ 3.89Å; V201-F205 PolarHBondContact O-N 3.22Å; V201-E230 HydrophobicContact CG1-CG 3.89Å; V201-W233 HydrophobicContact CB-CE3 4.25Å; V201-W233 HydrophobicContact CB-CZ3 4.39Å; V201-W233 HydrophobicContact CG1-CE3 4.08Å; V201-W233 HydrophobicContact CG2-CZ3 4.46Å
202	K	93.8	Very high	88.7	Confident	44 Å²	44	47.8 Å²	47.8	19%	0.191	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-33.5	175.8	-74.9	-174	169.7	172	0	112.6	E198 V204 F205 L206 W233 E236 T237	E198-K202 HydrophobicContact CG-CD 3.92Å; E198-K202 HydrophobicContact CG-CG 4.26Å; E198-K202 WeakPolarHBondContact O-CB 3.08Å; E198-K202 WeakPolarHBondContact O-CG 3.22Å; E198-K202 PolarHBondContact O-N 3.16Å; E198-K202 WeakPolarHBondContact OE1-CE 3.18Å; E198-K202 IonicContact OE1-NZ 2.7Å; E198-K202 PolarHBondContact OE1-NZ 3.19Å; K202-V204 VanDerWaalsContact C-N 3.35Å; K202-V204 PolarHBondContact O-N 3.3Å; K202-F205 PolarHBondContact O-N 3.11Å; K202-L206 WeakPolarHBondContact O-CB 3.48Å; K202-L206 PolarHBondContact O-N 3.42Å; K202-W233 HydrophobicContact CD-CB 4.39Å; K202-W233 VanDerWaalsContact CE-CB 3.46Å; K202-W233 HydrophobicContact CG-CB 4.01Å; K202-E236 WeakPolarHBondContact CE-OE2 3.02Å; K202-E236 IonicContact NZ-OE2 3.22Å; K202-E236 PolarHBondContact NZ-OE2 2.92Å; K202-T237 WeakPolarHBondContact CG-OG1 3.36Å
203	K	91.8	Very high	89.6	Confident	111 Å²	111	51.4 Å²	51.4	48%	0.483	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-38.9	173.7	-175.5	-177.5	175.4	-170	0	112.4	T199 E200 V201 L206 Q207	T199-K203 WeakPolarHBondContact O-CB 3.3Å; T199-K203 PolarHBondContact O-N 3.07Å; E200-K203 WeakPolarHBondContact O-CB 3.48Å; E200-K203 PolarHBondContact O-N 3.1Å; E200-K203 IonicContact OE1-NZ 2.76Å; V201-K203 VanDerWaalsContact C-N 3.26Å; V201-K203 PolarHBondContact O-N 3.33Å; K203-L206 PolarHBondContact O-N 2.85Å; K203-Q207 WeakPolarHBondContact O-CG 3.32Å; K203-Q207 PolarHBondContact O-N 3.44Å
204	V	89.7	Confident	90.6	Very high	13 Å²	13	56.6 Å²	56.6	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-62.8	-44.1	174.5	178.4	0	0	0	0	111.2	S143 T189 E200 V201 K202 L206 Q207 Q208	S143-V204 VanDerWaalsContact CB-CG1 3.5Å; T189-V204 HydrophobicContact CG2-CB 4.2Å; T189-V204 HydrophobicContact CG2-CG1 3.86Å; E200-V204 PolarHBondContact O-N 3.08Å; V201-V204 WeakPolarHBondContact O-CB 3.44Å; V201-V204 PolarHBondContact O-N 3.48Å; V201-V204 VanDerWaalsContact O-N 3.09Å; K202-V204 VanDerWaalsContact C-N 3.35Å; K202-V204 PolarHBondContact O-N 3.3Å; V204-L206 VanDerWaalsContact C-N 3.33Å; V204-L206 PolarHBondContact O-N 2.95Å; V204-Q207 PolarHBondContact O-N 3.5Å; V204-Q208 PolarHBondContact O-N 3.36Å
205	F	93.8	Very high	91.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-38.1	174.9	-58.9	-41.4	0	0	0	112.4	V186 T189 V201 K202 Q208 L209 F225 E230 A234 T237	V186-F205 HydrophobicContact CB-CD1 4.08Å; V186-F205 HydrophobicContact CG2-CD1 4.14Å; T189-F205 HydrophobicContact CG2-CD1 4.36Å; T189-F205 HydrophobicContact CG2-CE1 3.6Å; T189-F205 HydrophobicContact CG2-CZ 3.9Å; V201-F205 HydrophobicContact CG1-CD2 4.37Å; V201-F205 HydrophobicContact CG1-CE2 3.59Å; V201-F205 HydrophobicContact CG1-CZ 3.89Å; V201-F205 PolarHBondContact O-N 3.22Å; K202-F205 PolarHBondContact O-N 3.11Å; F205-Q208 PolarHBondContact O-N 3.33Å; F205-L209 WeakPolarHBondContact O-CB 3.42Å; F205-L209 PolarHBondContact O-N 2.75Å; F205-F225 HydrophobicContact CE1-CE1 4.34Å; F205-F225 HydrophobicContact CE1-CZ 4.06Å; F205-F225 AromaticContact CZ-CE1 3.83Å; F205-F225 HydrophobicContact CZ-CE1 3.83Å; F205-F225 AromaticContact CZ-CZ 3.93Å; F205-F225 HydrophobicContact CZ-CZ 3.93Å; F205-E230 HydrophobicContact CE2-CG 4.32Å; F205-E230 HydrophobicContact CZ-CG 4.04Å; F205-A234 HydrophobicContact CD2-CB 3.92Å; F205-A234 HydrophobicContact CE1-CB 4.31Å; F205-A234 HydrophobicContact CE2-CB 3.65Å; F205-A234 HydrophobicContact CG-CB 4.37Å; F205-A234 HydrophobicContact CZ-CB 3.89Å; F205-T237 HydrophobicContact CB-CG2 4.02Å
206	L	93.6	Very high	92.6	Very high	82 Å²	82	59 Å²	59	43%	0.429	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-42.3	178.5	-168.5	66.1	0	0	0	112	K202 K203 V204 Q208 L209 E210 T237	K202-L206 WeakPolarHBondContact O-CB 3.48Å; K202-L206 PolarHBondContact O-N 3.42Å; K203-L206 PolarHBondContact O-N 2.85Å; V204-L206 VanDerWaalsContact C-N 3.33Å; V204-L206 PolarHBondContact O-N 2.95Å; L206-Q208 VanDerWaalsContact C-N 3.32Å; L206-Q208 PolarHBondContact O-N 3.38Å; L206-L209 HydrophobicContact CD1-CD2 4.41Å; L206-L209 WeakPolarHBondContact O-CB 3.48Å; L206-L209 PolarHBondContact O-N 2.83Å; L206-L209 VanDerWaalsContact O-N 3.13Å; L206-E210 WeakPolarHBondContact O-CG 3.49Å; L206-E210 PolarHBondContact O-N 3.13Å; L206-T237 HydrophobicContact CB-CG2 4.29Å; L206-T237 HydrophobicContact CD1-CG2 4.33Å
207	Q	90	Very high	93.6	Very high	69 Å²	69	55.2 Å²	55.2	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-58	-41.1	175.4	-71	174.1	-60.2	0	0	112.5	E144 K203 V204	E144-Q207 PolarHBondContact OE2-NE2 2.96Å; K203-Q207 WeakPolarHBondContact O-CG 3.32Å; K203-Q207 PolarHBondContact O-N 3.44Å; V204-Q207 PolarHBondContact O-N 3.5Å
208	Q	90.7	Very high	94.2	Very high	3 Å²	3	54.1 Å²	54.1	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-71	-39.9	175.1	-63.5	-167.3	-92.9	0	0	111.5	T139 V186 V204 F205 L206 E210 V211 F212	T139-Q208 PolarHBondContact O-NE2 3.16Å; V186-Q208 HydrophobicContact CG1-CB 3.96Å; V204-Q208 PolarHBondContact O-N 3.36Å; F205-Q208 PolarHBondContact O-N 3.33Å; L206-Q208 VanDerWaalsContact C-N 3.32Å; L206-Q208 PolarHBondContact O-N 3.38Å; Q208-E210 VanDerWaalsContact C-N 3.34Å; Q208-E210 PolarHBondContact O-N 3.36Å; Q208-V211 PolarHBondContact O-N 3.15Å; Q208-F212 HydrophobicContact CB-CE2 3.91Å; Q208-F212 HydrophobicContact CB-CZ 4.32Å; Q208-F212 VanDerWaalsContact O-CD2 3.27Å; Q208-F212 WeakPolarHBondContact O-CD2 3.49Å; Q208-F212 WeakPolarHBondContact O-CG 3.47Å; Q208-F212 PolarHBondContact O-N 3.14Å; Q208-F212 VanDerWaalsContact O-N 3.16Å
209	L	94.9	Very high	94.5	Very high	9 Å²	9	50.2 Å²	50.2	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-39.2	178.7	-177.2	58.4	0	0	0	112.8	F205 L206 V211 F212 M213 L220 T237 L238	F205-L209 WeakPolarHBondContact O-CB 3.42Å; F205-L209 PolarHBondContact O-N 2.75Å; L206-L209 HydrophobicContact CD1-CD2 4.41Å; L206-L209 WeakPolarHBondContact O-CB 3.48Å; L206-L209 PolarHBondContact O-N 2.83Å; L206-L209 VanDerWaalsContact O-N 3.13Å; L209-V211 VanDerWaalsContact C-N 3.27Å; L209-V211 PolarHBondContact O-N 2.97Å; L209-F212 PolarHBondContact O-N 2.82Å; L209-F212 VanDerWaalsContact O-N 3.15Å; L209-M213 HydrophobicContact CD1-CG 4.01Å; L209-M213 HydrophobicContact CG-CG 4.19Å; L209-M213 WeakPolarHBondContact O-CB 3.4Å; L209-M213 WeakPolarHBondContact O-CG 3.27Å; L209-M213 PolarHBondContact O-N 3.36Å; L209-L220 HydrophobicContact CD1-CD1 3.55Å; L209-L220 HydrophobicContact CD1-CD2 3.96Å; L209-L220 HydrophobicContact CD1-CG 4.43Å; L209-T237 WeakPolarHBondContact CD2-O 3.43Å; L209-L238 HydrophobicContact CB-CD2 4.5Å; L209-L238 HydrophobicContact CD1-CD2 4.01Å
210	E	95.3	Very high	94.9	Very high	127 Å²	127	45.2 Å²	45.2	59%	0.593	22%	0.215	S	C	*	.	H	α-helix	trans	-54.8	-42.8	174.9	-76	176.1	-160.1	0	0	112	L206 Q208 K214	L206-E210 WeakPolarHBondContact O-CG 3.49Å; L206-E210 PolarHBondContact O-N 3.13Å; Q208-E210 VanDerWaalsContact C-N 3.34Å; Q208-E210 PolarHBondContact O-N 3.36Å; E210-K214 VanDerWaalsContact O-CB 3.32Å; E210-K214 WeakPolarHBondContact O-CB 3.4Å; E210-K214 PolarHBondContact O-N 2.86Å
211	V	95.3	Very high	95.3	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-66.2	-46.2	175.8	179.4	0	0	0	0	111.1	Q161 N164 E165 Q208 L209 M213 K214 K215	Q161-V211 HydrophobicContact CG-CG2 4.04Å; N164-V211 HydrophobicContact CB-CB 4.48Å; N164-V211 HydrophobicContact CB-CG1 3.93Å; N164-V211 HydrophobicContact CB-CG2 4.42Å; E165-V211 HydrophobicContact CG-CG1 3.66Å; Q208-V211 PolarHBondContact O-N 3.15Å; L209-V211 VanDerWaalsContact C-N 3.27Å; L209-V211 PolarHBondContact O-N 2.97Å; V211-M213 VanDerWaalsContact C-N 3.28Å; V211-M213 PolarHBondContact O-N 3.45Å; V211-K214 PolarHBondContact O-N 3Å; V211-K215 HydrophobicContact CG1-CG 4.22Å; V211-K215 WeakPolarHBondContact O-CB 3.26Å; V211-K215 VanDerWaalsContact O-CG 3.31Å; V211-K215 WeakPolarHBondContact O-CG 3.41Å; V211-K215 PolarHBondContact O-N 3.26Å
212	F	97.2	Very high	95.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-33.9	179.5	-59.2	-36.9	0	0	0	113	T137 T139 G185 V186 Q208 L209 N216 V217 L220	T137-F212 WeakPolarHBondContact OG1-CE1 3.31Å; T139-F212 HydrophobicContact CG2-CE1 4.28Å; G185-F212 WeakPolarHBondContact O-CZ 3.44Å; V186-F212 HydrophobicContact CG1-CE2 3.83Å; Q208-F212 HydrophobicContact CB-CE2 3.91Å; Q208-F212 HydrophobicContact CB-CZ 4.32Å; Q208-F212 VanDerWaalsContact O-CD2 3.27Å; Q208-F212 WeakPolarHBondContact O-CD2 3.49Å; Q208-F212 WeakPolarHBondContact O-CG 3.47Å; Q208-F212 PolarHBondContact O-N 3.14Å; Q208-F212 VanDerWaalsContact O-N 3.16Å; L209-F212 PolarHBondContact O-N 2.82Å; L209-F212 VanDerWaalsContact O-N 3.15Å; F212-N216 PolarHBondContact O-N 2.94Å; F212-V217 HydrophobicContact CB-CG1 3.99Å; F212-V217 HydrophobicContact CB-CG2 3.87Å; F212-V217 HydrophobicContact CD1-CG1 4.14Å; F212-V217 HydrophobicContact CG-CG1 4.38Å; F212-V217 PolarHBondContact O-N 3.21Å; F212-V217 VanDerWaalsContact O-N 3.11Å; F212-L220 HydrophobicContact CB-CD2 3.92Å; F212-L220 HydrophobicContact CD2-CD2 3.8Å; F212-L220 HydrophobicContact CG-CD2 4.16Å
213	M	98	Very high	95.9	Very high	77 Å²	77	39.7 Å²	39.7	38%	0.379	19%	0.19	S	C	.	.	H	α-helix	trans	-71.6	-47.4	174.1	-69.5	-57.3	-79.2	0	0	111.8	L209 V211 K215 N216 S241 K243	L209-M213 HydrophobicContact CD1-CG 4.01Å; L209-M213 HydrophobicContact CG-CG 4.19Å; L209-M213 WeakPolarHBondContact O-CB 3.4Å; L209-M213 WeakPolarHBondContact O-CG 3.27Å; L209-M213 PolarHBondContact O-N 3.36Å; V211-M213 VanDerWaalsContact C-N 3.28Å; V211-M213 PolarHBondContact O-N 3.45Å; M213-K215 PolarHBondContact O-N 2.95Å; M213-N216 PolarHBondContact O-N 3.15Å; M213-S241 WeakPolarHBondContact CE-O 3.42Å; M213-S241 VanDerWaalsContact SD-CB 3.56Å; M213-K243 HydrophobicContact SD-CD 3.78Å; M213-K243 WeakPolarHBondContact SD-CE 3.47Å; M213-K243 HydrophobicContact SD-CG 4.34Å
214	K	97.8	Very high	96.2	Very high	132 Å²	132	36.3 Å²	36.3	57%	0.574	18%	0.175	S	C	*	.	H	α-helix	trans	-56	-37.9	173.8	178.8	-176.4	174.3	-171.6	0	112.4	E165 E210 V211	E165-K214 IonicContact OE1-NZ 2.69Å; E165-K214 PolarHBondContact OE1-NZ 2.86Å; E165-K214 IonicContact OE2-NZ 2.98Å; E165-K214 PolarHBondContact OE2-NZ 3.05Å; E210-K214 VanDerWaalsContact O-CB 3.32Å; E210-K214 WeakPolarHBondContact O-CB 3.4Å; E210-K214 PolarHBondContact O-N 2.86Å; V211-K214 PolarHBondContact O-N 3Å
215	K	98.1	Very high	96.6	Very high	46 Å²	46	35.7 Å²	35.7	20%	0.2	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.1	179.4	-64.5	-67.9	-170.7	176.8	0	114.1	E165 C168 D169 V211 M213 V217	E165-K215 VanDerWaalsContact CB-CE 3.46Å; E165-K215 WeakPolarHBondContact O-CE 3.4Å; C168-K215 HydrophobicContact CB-CB 3.78Å; C168-K215 HydrophobicContact CB-CD 4.16Å; C168-K215 HydrophobicContact CB-CG 3.63Å; D169-K215 WeakPolarHBondContact OD1-CD 3.17Å; D169-K215 WeakPolarHBondContact OD1-CE 3.15Å; D169-K215 IonicContact OD1-NZ 2.79Å; D169-K215 PolarHBondContact OD1-NZ 3.22Å; D169-K215 IonicContact OD2-NZ 3.26Å; D169-K215 PolarHBondContact OD2-NZ 3.39Å; V211-K215 HydrophobicContact CG1-CG 4.22Å; V211-K215 WeakPolarHBondContact O-CB 3.26Å; V211-K215 VanDerWaalsContact O-CG 3.31Å; V211-K215 WeakPolarHBondContact O-CG 3.41Å; V211-K215 PolarHBondContact O-N 3.26Å; M213-K215 PolarHBondContact O-N 2.95Å; K215-V217 PolarHBondContact O-N 2.91Å
216	N	97.9	Very high	96.7	Very high	102 Å²	102	37 Å²	37	55%	0.545	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	61.7	-178.8	-168.1	32.4	0	0	0	113.1	R172 F212 M213 K243	R172-N216 PolarHBondContact NH2-O 3.4Å; F212-N216 PolarHBondContact O-N 2.94Å; M213-N216 PolarHBondContact O-N 3.15Å; N216-K243 PolarHBondContact OD1-NZ 3.27Å
217	V	98.4	Very high	96.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	16%	0.157	C	C	.	.			trans	-58.5	151.6	167.4	-58.1	0	0	0	0	110.3	T137 V182 F212 K215 F219 L220 K243	T137-V217 HydrophobicContact CG2-CG1 4.39Å; V182-V217 HydrophobicContact CG1-CB 4.32Å; V182-V217 HydrophobicContact CG1-CG1 3.97Å; F212-V217 HydrophobicContact CB-CG1 3.99Å; F212-V217 HydrophobicContact CB-CG2 3.87Å; F212-V217 HydrophobicContact CD1-CG1 4.14Å; F212-V217 HydrophobicContact CG-CG1 4.38Å; F212-V217 PolarHBondContact O-N 3.21Å; F212-V217 VanDerWaalsContact O-N 3.11Å; K215-V217 PolarHBondContact O-N 2.91Å; V217-F219 VanDerWaalsContact CG2-O 3.31Å; V217-F219 WeakPolarHBondContact CG2-O 3.33Å; V217-L220 HydrophobicContact CG2-CD2 3.79Å; V217-L220 HydrophobicContact CG2-CG 4.36Å; V217-K243 HydrophobicContact CG2-CD 4.06Å; V217-K243 WeakPolarHBondContact O-CD 3.23Å; V217-K243 WeakPolarHBondContact O-CE 3.48Å; V217-K243 PolarHBondContact O-NZ 3.09Å
218	D	98.7	Very high	97.3	Very high	41 Å²	41	29.9 Å²	29.9	22%	0.219	14%	0.142	C	C	.	.	S	Bend	trans	-75.6	-34.4	-178	-60.9	-78.9	0	0	0	111.2	K74 R172 L181 V182	K74-D218 IonicContact NZ-OD1 3.16Å; K74-D218 IonicContact NZ-OD2 3.79Å; R172-D218 IonicContact CZ-OD2 3.78Å; R172-D218 VanDerWaalsContact CZ-OD2 3.23Å; R172-D218 IonicContact NH1-OD1 2.75Å; R172-D218 IonicContact NH1-OD2 3.35Å; R172-D218 PolarHBondContact NH1-OD2 3.2Å; R172-D218 IonicContact NH2-OD1 3.4Å; R172-D218 IonicContact NH2-OD2 3.8Å; R172-D218 PolarHBondContact NH2-OD2 3.2Å; L181-D218 WeakPolarHBondContact CA-OD2 3.38Å; L181-D218 HydrophobicContact CB-CB 3.9Å; L181-D218 HydrophobicContact CD2-CB 3.97Å; L181-D218 HydrophobicContact CG-CB 4.36Å; V182-D218 PolarHBondContact N-OD2 2.74Å; V182-D218 PolarHBondContact O-N 2.9Å
219	F	98.9	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	178.8	173.6	72.1	-78.2	0	0	0	112	I77 V134 L181 V182 A183 G184 V217 I221 P244 Y359	I77-F219 HydrophobicContact CB-CB 4.45Å; I77-F219 HydrophobicContact CB-CD1 3.94Å; I77-F219 HydrophobicContact CB-CE1 4.3Å; I77-F219 HydrophobicContact CB-CG 4.12Å; I77-F219 HydrophobicContact CD1-CE1 4.2Å; I77-F219 HydrophobicContact CD1-CZ 4.18Å; I77-F219 HydrophobicContact CG1-CD1 4.27Å; I77-F219 HydrophobicContact CG1-CD2 4.37Å; I77-F219 HydrophobicContact CG1-CE1 4.24Å; I77-F219 HydrophobicContact CG1-CE2 4.34Å; I77-F219 HydrophobicContact CG1-CG 4.33Å; I77-F219 HydrophobicContact CG1-CZ 4.27Å; I77-F219 HydrophobicContact CG2-CB 3.66Å; I77-F219 HydrophobicContact CG2-CD1 4.09Å; I77-F219 HydrophobicContact CG2-CD2 4.35Å; I77-F219 HydrophobicContact CG2-CG 3.8Å; V134-F219 HydrophobicContact CB-CZ 4.46Å; V134-F219 HydrophobicContact CG1-CE1 3.96Å; V134-F219 HydrophobicContact CG1-CZ 3.7Å; V134-F219 HydrophobicContact CG2-CE1 4.05Å; V134-F219 HydrophobicContact CG2-CZ 3.86Å; L181-F219 HydrophobicContact CB-CD1 4.35Å; L181-F219 HydrophobicContact CB-CE1 4.1Å; L181-F219 HydrophobicContact CD1-CD1 4.46Å; L181-F219 HydrophobicContact CD1-CE1 4.47Å; V182-F219 PolarHBondContact O-N 3.38Å; A183-F219 WeakPolarHBondContact CA-O 3.35Å; A183-F219 HydrophobicContact CB-CD1 4.18Å; A183-F219 HydrophobicContact CB-CD2 4.3Å; A183-F219 HydrophobicContact CB-CE1 3.69Å; A183-F219 HydrophobicContact CB-CE2 3.83Å; A183-F219 HydrophobicContact CB-CG 4.46Å; A183-F219 HydrophobicContact CB-CZ 3.5Å; G184-F219 PolarHBondContact N-O 3.28Å; V217-F219 VanDerWaalsContact CG2-O 3.31Å; V217-F219 WeakPolarHBondContact CG2-O 3.33Å; F219-I221 HydrophobicContact CD2-CG1 4.16Å; F219-I221 HydrophobicContact CE2-CD1 3.85Å; F219-I221 HydrophobicContact CE2-CG1 3.65Å; F219-I221 HydrophobicContact CZ-CD1 4.26Å; F219-I221 HydrophobicContact CZ-CG1 4.5Å; F219-P244 HydrophobicContact CB-CB 4.14Å; F219-P244 WeakPolarHBondContact CB-O 3.18Å; F219-Y359 HydrophobicContact CE2-CE2 4.23Å; F219-Y359 AromaticContact CZ-CE2 3.94Å; F219-Y359 HydrophobicContact CZ-CE2 3.94Å
220	L	98.9	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	150.3	-175.8	-63.9	163.5	0	0	0	111.6	G184 L209 F212 V217 L238 S241 K243 P244 V245 A246	G184-L220 WeakPolarHBondContact O-CA 3.37Å; L209-L220 HydrophobicContact CD1-CD1 3.55Å; L209-L220 HydrophobicContact CD1-CD2 3.96Å; L209-L220 HydrophobicContact CD1-CG 4.43Å; F212-L220 HydrophobicContact CB-CD2 3.92Å; F212-L220 HydrophobicContact CD2-CD2 3.8Å; F212-L220 HydrophobicContact CG-CD2 4.16Å; V217-L220 HydrophobicContact CG2-CD2 3.79Å; V217-L220 HydrophobicContact CG2-CG 4.36Å; L220-L238 HydrophobicContact CB-CD1 4.31Å; L220-L238 HydrophobicContact CB-CD2 4.47Å; L220-L238 HydrophobicContact CD1-CB 4.04Å; L220-L238 HydrophobicContact CD1-CD2 4.1Å; L220-L238 HydrophobicContact CD2-CD2 4.38Å; L220-S241 VanDerWaalsContact CD1-OG 3.28Å; L220-S241 WeakPolarHBondContact CD1-OG 3.27Å; L220-K243 HydrophobicContact CD1-CB 4.18Å; L220-K243 HydrophobicContact CG-CB 4.49Å; L220-P244 PolarHBondContact N-O 3.47Å; L220-V245 HydrophobicContact CB-CG2 4.38Å; L220-V245 WeakPolarHBondContact O-CA 3.35Å; L220-A246 PolarHBondContact O-N 3.15Å
221	I	98.8	Very high	97.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.7	177	-51.6	176.8	0	0	0	109.3	Q136 A183 G184 G185 V186 F219 E223 A246 M309	Q136-I221 HydrophobicContact CG-CD1 3.84Å; A183-I221 HydrophobicContact CB-CD1 3.6Å; A183-I221 HydrophobicContact CB-CG1 3.96Å; G184-I221 PolarHBondContact O-N 2.99Å; G185-I221 WeakPolarHBondContact CA-O 3.2Å; V186-I221 PolarHBondContact N-O 3.03Å; F219-I221 HydrophobicContact CD2-CG1 4.16Å; F219-I221 HydrophobicContact CE2-CD1 3.85Å; F219-I221 HydrophobicContact CE2-CG1 3.65Å; F219-I221 HydrophobicContact CZ-CD1 4.26Å; F219-I221 HydrophobicContact CZ-CG1 4.5Å; I221-E223 HydrophobicContact CG2-CB 3.81Å; I221-E223 HydrophobicContact CG2-CG 4.35Å; I221-A246 WeakPolarHBondContact CA-O 3.36Å; I221-A246 HydrophobicContact CG1-CB 4.22Å; I221-A246 HydrophobicContact CG2-CB 4.39Å; I221-M309 HydrophobicContact CD1-CE 4.33Å; I221-M309 HydrophobicContact CG2-CE 4.39Å
222	A	98.6	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	101.2	161.1	0	0	0	0	0	107.9	V186 F225 A234 V235 L238 A246 A247 T248	V186-A222 HydrophobicContact CG2-CB 4.3Å; A222-F225 HydrophobicContact CB-CD2 4.42Å; A222-F225 HydrophobicContact CB-CE2 3.77Å; A222-F225 HydrophobicContact CB-CZ 4.47Å; A222-A234 HydrophobicContact CB-CB 4.04Å; A222-V235 HydrophobicContact CB-CG2 4.28Å; A222-L238 HydrophobicContact CB-CD1 3.98Å; A222-A246 PolarHBondContact N-O 2.66Å; A222-A247 CarbonylContact O-C 3.49Å; A222-A247 VanDerWaalsContact O-CA 3.31Å; A222-A247 WeakPolarHBondContact O-CA 3.44Å; A222-T248 PolarHBondContact O-N 3.13Å
223	E	98.3	Very high	98.1	Very high	13 Å²	13	27.9 Å²	27.9	6%	0.061	13%	0.132	C	C	.	.			trans	-119.1	158.3	-174.5	62.1	179.3	153	0	0	112.2	Q136 F140 V186 S187 I221 F225 T248	Q136-E223 PolarHBondContact NE2-OE1 3.01Å; Q136-E223 PolarHBondContact NE2-OE2 2.86Å; F140-E223 HydrophobicContact CD2-CG 4.1Å; F140-E223 HydrophobicContact CE2-CG 4.14Å; V186-E223 PolarHBondContact O-N 3.02Å; S187-E223 WeakPolarHBondContact CA-O 3.31Å; S187-E223 WeakPolarHBondContact CB-O 3.3Å; I221-E223 HydrophobicContact CG2-CB 3.81Å; I221-E223 HydrophobicContact CG2-CG 4.35Å; E223-F225 WeakPolarHBondContact O-CD2 3.28Å; E223-F225 WeakPolarHBondContact O-CE2 3.13Å; E223-T248 CarbonylContact C-O 3.55Å; E223-T248 WeakPolarHBondContact CA-O 3.46Å; E223-T248 WeakPolarHBondContact CA-OG1 2.96Å; E223-T248 WeakPolarHBondContact CB-OG1 3.3Å
224	Y	97.1	Very high	98.2	Very high	41 Å²	41	24.2 Å²	24.2	16%	0.161	11%	0.114	C	C	.	.			trans	57.3	68.1	177.5	-165.9	-90.3	0	0	0	111.9	F140 Q188 T248 C250 N280 C281 H282 I326	F140-Y224 VanDerWaalsContact CE2-CB 3.5Å; F140-Y224 HydrophobicContact CE2-CD1 4.38Å; F140-Y224 AromaticContact CE2-CG 3.97Å; F140-Y224 HydrophobicContact CE2-CG 3.97Å; F140-Y224 AromaticContact CZ-CD1 3.7Å; F140-Y224 HydrophobicContact CZ-CD1 3.7Å; F140-Y224 HydrophobicContact CZ-CD2 4.08Å; F140-Y224 HydrophobicContact CZ-CE1 4.39Å; F140-Y224 AromaticContact CZ-CG 3.56Å; F140-Y224 HydrophobicContact CZ-CG 3.56Å; Q188-Y224 WeakPolarHBondContact CB-O 3.41Å; Q188-Y224 HydrophobicContact CG-CD1 3.94Å; Q188-Y224 HydrophobicContact CG-CE1 4.18Å; Q188-Y224 WeakPolarHBondContact CG-O 3.13Å; Q188-Y224 PolarHBondContact N-O 2.89Å; Q188-Y224 VanDerWaalsContact N-O 3.13Å; Y224-T248 PolarHBondContact N-O 2.77Å; Y224-C250 HydrophobicContact CD2-CB 4.05Å; Y224-C250 HydrophobicContact CE2-CB 4.48Å; Y224-N280 PolarHBondContact N-ND2 3.21Å; Y224-N280 PolarHBondContact N-OD1 3.34Å; Y224-C281 HydrophobicContact CD2-CB 3.83Å; Y224-C281 HydrophobicContact CE2-CB 4.24Å; Y224-H282 AromaticContact CE2-CD2 3.59Å; Y224-H282 AromaticContact CE2-NE2 3.31Å; Y224-H282 VanDerWaalsContact CE2-NE2 3.31Å; Y224-H282 WeakPolarHBondContact CE2-NE2 3.32Å; Y224-H282 AromaticContact CZ-NE2 3.46Å; Y224-H282 PolarHBondContact OH-NE2 3.1Å; Y224-H282 VanDerWaalsContact OH-NE2 3.08Å; Y224-I326 WeakPolarHBondContact OH-CD1 3.38Å
225	F	98.1	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.			trans	-123.1	123.7	170.5	-71.8	-92.3	0	0	0	110.5	Q188 F205 A222 E223 E230 A231 A234 M249 C250	Q188-F225 HydrophobicContact CB-CD1 3.75Å; Q188-F225 HydrophobicContact CB-CE1 4.05Å; Q188-F225 HydrophobicContact CB-CG 4.32Å; F205-F225 HydrophobicContact CE1-CE1 4.34Å; F205-F225 HydrophobicContact CE1-CZ 4.06Å; F205-F225 AromaticContact CZ-CE1 3.83Å; F205-F225 HydrophobicContact CZ-CE1 3.83Å; F205-F225 AromaticContact CZ-CZ 3.93Å; F205-F225 HydrophobicContact CZ-CZ 3.93Å; A222-F225 HydrophobicContact CB-CD2 4.42Å; A222-F225 HydrophobicContact CB-CE2 3.77Å; A222-F225 HydrophobicContact CB-CZ 4.47Å; E223-F225 WeakPolarHBondContact O-CD2 3.28Å; E223-F225 WeakPolarHBondContact O-CE2 3.13Å; F225-E230 HydrophobicContact CD1-CB 4.02Å; F225-E230 HydrophobicContact CD1-CG 4.21Å; F225-E230 HydrophobicContact CE1-CB 4.18Å; F225-E230 HydrophobicContact CE1-CG 3.9Å; F225-A231 HydrophobicContact CB-CB 3.71Å; F225-A231 HydrophobicContact CD1-CB 3.95Å; F225-A231 HydrophobicContact CD2-CB 4.23Å; F225-A231 HydrophobicContact CG-CB 3.7Å; F225-A234 HydrophobicContact CE1-CB 4.04Å; F225-A234 HydrophobicContact CE2-CB 4.2Å; F225-A234 HydrophobicContact CZ-CB 3.51Å; F225-M249 HydrophobicContact CB-CG 4.37Å; F225-M249 WeakPolarHBondContact O-CA 3.36Å; F225-M249 WeakPolarHBondContact O-CB 3.5Å; F225-M249 WeakPolarHBondContact O-CE 2.91Å; F225-C250 VanDerWaalsContact C-SG 3.53Å; F225-C250 PolarHBondContact O-N 3.34Å; F225-C250 VanDerWaalsContact O-N 3.11Å
226	E	96.9	Very high	98.2	Very high	28 Å²	28	19.5 Å²	19.5	13%	0.131	9%	0.094	C	C	.	.	S	Bend	trans	-86.7	-13.1	175.4	-65.9	170.1	146	0	0	112.8	Q188 C250 D256 L257 H282	Q188-E226 VanDerWaalsContact NE2-CD 3.33Å; Q188-E226 PolarHBondContact NE2-OE2 2.68Å; Q188-E226 PolarHBondContact OE1-OE2 2.94Å; E226-C250 VanDerWaalsContact CG-SG 3.57Å; E226-D256 WeakPolarHBondContact O-CB 3.36Å; E226-L257 HydrophobicContact CB-CD1 3.73Å; E226-L257 HydrophobicContact CB-CG 3.99Å; E226-L257 HydrophobicContact CG-CD1 4.27Å; E226-L257 PolarHBondContact O-N 2.87Å; E226-H282 IonicContact OE1-CE1 3.38Å; E226-H282 PolarHBondContact OE1-CE1 3.16Å
227	H	97.6	Very high	98.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.073	C	C	.	.			trans	-131.5	124.4	-176.1	-53.2	82.1	0	0	0	109.8	Y192 E229 E230 A231 D256 H258	Y192-H227 HydrophobicContact CE1-CB 3.81Å; Y192-H227 AromaticContact CE1-CD2 3.84Å; Y192-H227 AromaticContact CE1-CE1 3.94Å; Y192-H227 AromaticContact CE1-CG 3.5Å; Y192-H227 VanDerWaalsContact CE1-CG 3.5Å; Y192-H227 AromaticContact CE1-ND1 3.56Å; Y192-H227 AromaticContact CZ-CG 3.94Å; Y192-H227 WeakPolarHBondContact OH-CB 3.32Å; H227-E229 PolarHBondContact O-N 3.34Å; H227-E230 PolarHBondContact O-N 2.83Å; H227-A231 PolarHBondContact O-N 2.79Å; H227-D256 WeakPolarHBondContact CA-OD2 3.27Å; H227-H258 AromaticContact CD2-CD2 3.91Å; H227-H258 AromaticContact CD2-CE1 3.84Å; H227-H258 AromaticContact CD2-NE2 3.62Å
228	V	98.4	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-74.1	-18.2	-178	72.1	0	0	0	0	112.8	V232 M249 D256 V260 C265 R268 L269	V228-V232 HydrophobicContact CG2-CG2 4.2Å; V228-V232 WeakPolarHBondContact O-CB 3.35Å; V228-V232 VanDerWaalsContact O-CG2 3.27Å; V228-V232 WeakPolarHBondContact O-CG2 3.34Å; V228-V232 PolarHBondContact O-N 3.19Å; V228-M249 HydrophobicContact CB-CE 3.76Å; V228-M249 HydrophobicContact CB-SD 3.88Å; V228-M249 HydrophobicContact CG2-CE 4.46Å; V228-M249 HydrophobicContact CG2-SD 3.95Å; V228-D256 PolarHBondContact N-OD2 2.98Å; V228-V260 HydrophobicContact CG1-CB 4.17Å; V228-V260 HydrophobicContact CG1-CG1 4.04Å; V228-V260 HydrophobicContact CG1-CG2 4.24Å; V228-C265 HydrophobicContact CB-CB 4.2Å; V228-C265 HydrophobicContact CG2-CB 4.02Å; V228-R268 HydrophobicContact CG2-CB 4.13Å; V228-L269 HydrophobicContact CG2-CD2 4.21Å; V228-L269 HydrophobicContact CG2-CG 4.11Å
229	E	97.6	Very high	98.2	Very high	59 Å²	59	16.8 Å²	16.8	28%	0.276	8%	0.08	S	C	.	.	H	α-helix	trans	-56.1	-55.8	169.7	178.5	176.4	-112.5	0	0	111.2	Y192 H227 V232 W233 H258 K441	Y192-E229 HydrophobicContact CE2-CB 4.44Å; Y192-E229 HydrophobicContact CE2-CG 4.18Å; Y192-E229 VanDerWaalsContact CE2-OE2 3.26Å; Y192-E229 WeakPolarHBondContact CE2-OE2 3.5Å; Y192-E229 PolarHBondContact OH-OE2 3.14Å; H227-E229 PolarHBondContact O-N 3.34Å; E229-V232 PolarHBondContact O-N 2.96Å; E229-W233 HydrophobicContact CG-CH2 4.03Å; E229-W233 HydrophobicContact CG-CZ2 3.62Å; E229-W233 PolarHBondContact O-N 3.18Å; E229-H258 IonicContact OE2-CE1 2.73Å; E229-K441 IonicContact OE2-NZ 3.59Å; E229-K441 PolarHBondContact OE2-NZ 3.41Å
230	E	97.7	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69	-37.3	179.8	-158.6	-170	179.5	0	0	112.2	Q188 T189 Y192 V201 F205 F225 H227 V232 W233 A234	Q188-E230 VanDerWaalsContact CB-OE2 3.27Å; Q188-E230 WeakPolarHBondContact CB-OE2 3.37Å; T189-E230 WeakPolarHBondContact CB-OE1 3.26Å; T189-E230 PolarHBondContact N-OE1 3.35Å; T189-E230 PolarHBondContact OG1-OE1 3.07Å; Y192-E230 VanDerWaalsContact CB-OE1 3.3Å; Y192-E230 WeakPolarHBondContact CB-OE1 3.28Å; Y192-E230 WeakPolarHBondContact CB-OE2 3.38Å; Y192-E230 HydrophobicContact CD1-CB 4.31Å; Y192-E230 HydrophobicContact CD1-CG 4.48Å; Y192-E230 WeakPolarHBondContact CD1-OE2 3.4Å; Y192-E230 HydrophobicContact CD2-CB 3.67Å; Y192-E230 HydrophobicContact CD2-CG 3.66Å; Y192-E230 HydrophobicContact CE1-CB 4.4Å; Y192-E230 HydrophobicContact CE2-CB 3.73Å; Y192-E230 HydrophobicContact CE2-CG 4.25Å; Y192-E230 HydrophobicContact CG-CB 3.96Å; Y192-E230 VanDerWaalsContact CG-CD 3.47Å; Y192-E230 HydrophobicContact CG-CG 3.79Å; V201-E230 HydrophobicContact CG1-CG 3.89Å; F205-E230 HydrophobicContact CE2-CG 4.32Å; F205-E230 HydrophobicContact CZ-CG 4.04Å; F225-E230 HydrophobicContact CD1-CB 4.02Å; F225-E230 HydrophobicContact CD1-CG 4.21Å; F225-E230 HydrophobicContact CE1-CB 4.18Å; F225-E230 HydrophobicContact CE1-CG 3.9Å; H227-E230 PolarHBondContact O-N 2.83Å; E230-V232 VanDerWaalsContact C-N 3.3Å; E230-V232 PolarHBondContact O-N 3.35Å; E230-W233 HydrophobicContact CG-CE3 4.36Å; E230-W233 WeakPolarHBondContact O-CB 3.38Å; E230-W233 PolarHBondContact O-N 2.81Å; E230-W233 VanDerWaalsContact O-N 3.14Å; E230-A234 PolarHBondContact O-N 2.98Å
231	A	98.4	Very high	98	Very high	2 Å²	2	22 Å²	22	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-62.1	-37.7	178.3	0	0	0	0	0	112.1	F225 H227 A234 V235 L269	F225-A231 HydrophobicContact CB-CB 3.71Å; F225-A231 HydrophobicContact CD1-CB 3.95Å; F225-A231 HydrophobicContact CD2-CB 4.23Å; F225-A231 HydrophobicContact CG-CB 3.7Å; H227-A231 PolarHBondContact O-N 2.79Å; A231-A234 PolarHBondContact O-N 2.78Å; A231-V235 WeakPolarHBondContact O-CG2 3.34Å; A231-V235 PolarHBondContact O-N 3.23Å; A231-L269 HydrophobicContact CB-CD2 3.73Å
232	V	98.8	Very high	98	Very high	15 Å²	15	25.5 Å²	25.5	9%	0.091	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-45.6	172.4	162.5	0	0	0	0	110.9	V228 E229 E230 A234 V235 E236 R268 L269 A272	V228-V232 HydrophobicContact CG2-CG2 4.2Å; V228-V232 WeakPolarHBondContact O-CB 3.35Å; V228-V232 VanDerWaalsContact O-CG2 3.27Å; V228-V232 WeakPolarHBondContact O-CG2 3.34Å; V228-V232 PolarHBondContact O-N 3.19Å; E229-V232 PolarHBondContact O-N 2.96Å; E230-V232 VanDerWaalsContact C-N 3.3Å; E230-V232 PolarHBondContact O-N 3.35Å; V232-A234 VanDerWaalsContact C-N 3.29Å; V232-A234 PolarHBondContact O-N 3.32Å; V232-V235 PolarHBondContact O-N 3.06Å; V232-E236 HydrophobicContact CG1-CG 4.28Å; V232-E236 WeakPolarHBondContact CG1-OE1 3.43Å; V232-E236 WeakPolarHBondContact O-CB 3.31Å; V232-E236 VanDerWaalsContact O-CG 3.3Å; V232-E236 WeakPolarHBondContact O-CG 3.34Å; V232-E236 PolarHBondContact O-N 2.95Å; V232-R268 HydrophobicContact CG2-CB 3.98Å; V232-L269 HydrophobicContact CG2-CD2 4.37Å; V232-A272 HydrophobicContact CB-CB 4.45Å; V232-A272 HydrophobicContact CG1-CB 4.01Å; V232-A272 HydrophobicContact CG2-CB 4.27Å
233	W	98.3	Very high	98	Very high	29 Å²	29	27.3 Å²	27.3	11%	0.11	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-36.9	176.8	-62.6	-19.3	0	0	0	113.1	Y192 E198 V201 K202 E229 E230 T237	Y192-W233 HydrophobicContact CD2-CE3 4.29Å; Y192-W233 HydrophobicContact CD2-CH2 4.36Å; Y192-W233 AromaticContact CD2-CZ3 3.67Å; Y192-W233 HydrophobicContact CD2-CZ3 3.67Å; Y192-W233 HydrophobicContact CE2-CH2 4.21Å; Y192-W233 AromaticContact CE2-CZ3 3.9Å; Y192-W233 HydrophobicContact CE2-CZ3 3.9Å; E198-W233 HydrophobicContact CB-CD2 4.2Å; E198-W233 HydrophobicContact CB-CE3 4.28Å; E198-W233 HydrophobicContact CB-CH2 3.85Å; E198-W233 HydrophobicContact CB-CZ2 3.75Å; E198-W233 HydrophobicContact CB-CZ3 4.09Å; E198-W233 VanDerWaalsContact CD-NE1 3.34Å; E198-W233 HydrophobicContact CG-CD2 3.7Å; E198-W233 HydrophobicContact CG-CE3 4.16Å; E198-W233 HydrophobicContact CG-CG 4.01Å; E198-W233 HydrophobicContact CG-CH2 4.4Å; E198-W233 HydrophobicContact CG-CZ2 3.97Å; E198-W233 HydrophobicContact CG-CZ3 4.46Å; E198-W233 PolarHBondContact OE2-NE1 3.32Å; V201-W233 HydrophobicContact CB-CE3 4.25Å; V201-W233 HydrophobicContact CB-CZ3 4.39Å; V201-W233 HydrophobicContact CG1-CE3 4.08Å; V201-W233 HydrophobicContact CG2-CZ3 4.46Å; K202-W233 HydrophobicContact CD-CB 4.39Å; K202-W233 VanDerWaalsContact CE-CB 3.46Å; K202-W233 HydrophobicContact CG-CB 4.01Å; E229-W233 HydrophobicContact CG-CH2 4.03Å; E229-W233 HydrophobicContact CG-CZ2 3.62Å; E229-W233 PolarHBondContact O-N 3.18Å; E230-W233 HydrophobicContact CG-CE3 4.36Å; E230-W233 WeakPolarHBondContact O-CB 3.38Å; E230-W233 PolarHBondContact O-N 2.81Å; E230-W233 VanDerWaalsContact O-N 3.14Å; W233-T237 WeakPolarHBondContact O-CB 3.1Å; W233-T237 PolarHBondContact O-N 2.99Å; W233-T237 VanDerWaalsContact O-N 3.15Å; W233-T237 PolarHBondContact O-OG1 3.43Å
234	A	98.3	Very high	98	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.4	-52.9	173	0	0	0	0	0	110.7	V186 F205 A222 F225 E230 A231 V232 E236 T237 L238	V186-A234 HydrophobicContact CG2-CB 4.37Å; F205-A234 HydrophobicContact CD2-CB 3.92Å; F205-A234 HydrophobicContact CE1-CB 4.31Å; F205-A234 HydrophobicContact CE2-CB 3.65Å; F205-A234 HydrophobicContact CG-CB 4.37Å; F205-A234 HydrophobicContact CZ-CB 3.89Å; A222-A234 HydrophobicContact CB-CB 4.04Å; F225-A234 HydrophobicContact CE1-CB 4.04Å; F225-A234 HydrophobicContact CE2-CB 4.2Å; F225-A234 HydrophobicContact CZ-CB 3.51Å; E230-A234 PolarHBondContact O-N 2.98Å; A231-A234 PolarHBondContact O-N 2.78Å; V232-A234 VanDerWaalsContact C-N 3.29Å; V232-A234 PolarHBondContact O-N 3.32Å; A234-E236 PolarHBondContact O-N 2.89Å; A234-T237 PolarHBondContact O-N 3.39Å; A234-T237 VanDerWaalsContact O-N 3.13Å; A234-L238 VanDerWaalsContact O-CG 3.26Å; A234-L238 WeakPolarHBondContact O-CG 3.41Å; A234-L238 PolarHBondContact O-N 3.41Å
235	V	98.7	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56.4	-49.3	178.4	173.2	0	0	0	0	111.5	A222 A231 V232 T237 L238 I239 V245 A247 L269 A272 A274	A222-V235 HydrophobicContact CB-CG2 4.28Å; A231-V235 WeakPolarHBondContact O-CG2 3.34Å; A231-V235 PolarHBondContact O-N 3.23Å; V232-V235 PolarHBondContact O-N 3.06Å; V235-T237 PolarHBondContact O-N 2.91Å; V235-L238 PolarHBondContact O-N 2.99Å; V235-L238 VanDerWaalsContact O-N 3.1Å; V235-I239 HydrophobicContact CG1-CG2 4.13Å; V235-I239 WeakPolarHBondContact O-CG1 3.46Å; V235-I239 WeakPolarHBondContact O-CG2 3.41Å; V235-I239 PolarHBondContact O-N 3.13Å; V235-V245 HydrophobicContact CG1-CG1 4.31Å; V235-V245 HydrophobicContact CG2-CG1 4.25Å; V235-A247 HydrophobicContact CG2-CB 3.73Å; V235-L269 HydrophobicContact CG2-CD2 4.1Å; V235-A272 HydrophobicContact CB-CB 4.08Å; V235-A272 HydrophobicContact CG1-CB 3.76Å; V235-A272 WeakPolarHBondContact CG1-O 3.33Å; V235-A274 HydrophobicContact CG1-CB 4.05Å; V235-A274 HydrophobicContact CG2-CB 4.24Å
236	E	98.4	Very high	98.1	Very high	78 Å²	78	26.5 Å²	26.5	36%	0.364	17%	0.166	S	C	.	.	H	α-helix	trans	-55.8	-38.1	177.6	-73.9	172.4	169	0	0	112.8	K202 V232 A234 I239 A272	K202-E236 WeakPolarHBondContact CE-OE2 3.02Å; K202-E236 IonicContact NZ-OE2 3.22Å; K202-E236 PolarHBondContact NZ-OE2 2.92Å; V232-E236 HydrophobicContact CG1-CG 4.28Å; V232-E236 WeakPolarHBondContact CG1-OE1 3.43Å; V232-E236 WeakPolarHBondContact O-CB 3.31Å; V232-E236 VanDerWaalsContact O-CG 3.3Å; V232-E236 WeakPolarHBondContact O-CG 3.34Å; V232-E236 PolarHBondContact O-N 2.95Å; A234-E236 PolarHBondContact O-N 2.89Å; E236-I239 WeakPolarHBondContact O-CG1 3.27Å; E236-A272 HydrophobicContact CG-CB 4.22Å
237	T	98.3	Very high	98.2	Very high	16 Å²	16	25.2 Å²	25.2	10%	0.098	16%	0.16	C	C	.	.	H	α-helix	trans	-72	-43.1	176.7	-51.5	0	0	0	0	111.1	K202 F205 L206 L209 W233 A234 V235 A240	K202-T237 WeakPolarHBondContact CG-OG1 3.36Å; F205-T237 HydrophobicContact CB-CG2 4.02Å; L206-T237 HydrophobicContact CB-CG2 4.29Å; L206-T237 HydrophobicContact CD1-CG2 4.33Å; L209-T237 WeakPolarHBondContact CD2-O 3.43Å; W233-T237 WeakPolarHBondContact O-CB 3.1Å; W233-T237 PolarHBondContact O-N 2.99Å; W233-T237 VanDerWaalsContact O-N 3.15Å; W233-T237 PolarHBondContact O-OG1 3.43Å; A234-T237 PolarHBondContact O-N 3.39Å; A234-T237 VanDerWaalsContact O-N 3.13Å; V235-T237 PolarHBondContact O-N 2.91Å; T237-A240 WeakPolarHBondContact O-CB 3.36Å
238	L	98.4	Very high	98.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-70.5	-36.6	-177.4	-64.8	175	0	0	0	112.9	V186 L209 L220 A222 A234 V235 A240 S241 V245	V186-L238 HydrophobicContact CG1-CD2 4.26Å; V186-L238 HydrophobicContact CG2-CD1 3.79Å; V186-L238 HydrophobicContact CG2-CD2 4.31Å; V186-L238 HydrophobicContact CG2-CG 4.39Å; L209-L238 HydrophobicContact CB-CD2 4.5Å; L209-L238 HydrophobicContact CD1-CD2 4.01Å; L220-L238 HydrophobicContact CB-CD1 4.31Å; L220-L238 HydrophobicContact CB-CD2 4.47Å; L220-L238 HydrophobicContact CD1-CB 4.04Å; L220-L238 HydrophobicContact CD1-CD2 4.1Å; L220-L238 HydrophobicContact CD2-CD2 4.38Å; A222-L238 HydrophobicContact CB-CD1 3.98Å; A234-L238 VanDerWaalsContact O-CG 3.26Å; A234-L238 WeakPolarHBondContact O-CG 3.41Å; A234-L238 PolarHBondContact O-N 3.41Å; V235-L238 PolarHBondContact O-N 2.99Å; V235-L238 VanDerWaalsContact O-N 3.1Å; L238-A240 PolarHBondContact O-N 2.82Å; L238-S241 VanDerWaalsContact O-CB 3.25Å; L238-S241 WeakPolarHBondContact O-CB 3.44Å; L238-S241 PolarHBondContact O-N 3.25Å; L238-S241 VanDerWaalsContact O-N 3.15Å; L238-S241 PolarHBondContact O-OG 3.41Å; L238-V245 HydrophobicContact CB-CG1 4.19Å; L238-V245 HydrophobicContact CB-CG2 3.74Å; L238-V245 HydrophobicContact CD1-CG1 4.1Å
239	I	97.9	Very high	98.3	Very high	71 Å²	71	25.3 Å²	25.3	36%	0.364	16%	0.161	S	C	.	.	H	α-helix	trans	-65.4	-23.7	-179.7	59.2	155.8	0	0	0	113.1	V235 E236 S241 G242 V245 A272	V235-I239 HydrophobicContact CG1-CG2 4.13Å; V235-I239 WeakPolarHBondContact O-CG1 3.46Å; V235-I239 WeakPolarHBondContact O-CG2 3.41Å; V235-I239 PolarHBondContact O-N 3.13Å; E236-I239 WeakPolarHBondContact O-CG1 3.27Å; I239-S241 PolarHBondContact O-N 2.84Å; I239-S241 VanDerWaalsContact O-N 3.07Å; I239-G242 PolarHBondContact O-N 3.21Å; I239-V245 HydrophobicContact CB-CG2 4.47Å; I239-V245 HydrophobicContact CG2-CB 4.15Å; I239-V245 HydrophobicContact CG2-CG2 3.64Å; I239-A272 WeakPolarHBondContact CD1-O 3.29Å
240	A	96.6	Very high	98.3	Very high	88 Å²	88	22.6 Å²	22.6	73%	0.727	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.8	175.4	0	0	0	0	0	113.2	T237 L238 G242	T237-A240 WeakPolarHBondContact O-CB 3.36Å; L238-A240 PolarHBondContact O-N 2.82Å; A240-G242 VanDerWaalsContact C-N 3.28Å; A240-G242 PolarHBondContact O-N 2.91Å
241	S	97.6	Very high	98.4	Very high	22 Å²	22	22.9 Å²	22.9	15%	0.154	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.5	172.3	68.3	0	0	0	0	115.2	M213 L220 L238 I239 K243	M213-S241 WeakPolarHBondContact CE-O 3.42Å; M213-S241 VanDerWaalsContact SD-CB 3.56Å; L220-S241 VanDerWaalsContact CD1-OG 3.28Å; L220-S241 WeakPolarHBondContact CD1-OG 3.27Å; L238-S241 VanDerWaalsContact O-CB 3.25Å; L238-S241 WeakPolarHBondContact O-CB 3.44Å; L238-S241 PolarHBondContact O-N 3.25Å; L238-S241 VanDerWaalsContact O-N 3.15Å; L238-S241 PolarHBondContact O-OG 3.41Å; I239-S241 PolarHBondContact O-N 2.84Å; I239-S241 VanDerWaalsContact O-N 3.07Å; S241-K243 PolarHBondContact O-N 2.65Å; S241-K243 WeakPolarHBondContact OG-CB 3.42Å; S241-K243 PolarHBondContact OG-N 2.78Å
242	G	97.9	Very high	98.4	Very high	73 Å²	73	22.9 Å²	22.9	75%	0.753	15%	0.15	S	C	*	.	S	Bend	trans	70	4.8	-167.9	0	0	0	0	0	114.9	I239 A240	I239-G242 PolarHBondContact O-N 3.21Å; A240-G242 VanDerWaalsContact C-N 3.28Å; A240-G242 PolarHBondContact O-N 2.91Å
243	K	98.5	Very high	98.4	Very high	38 Å²	38	24.3 Å²	24.3	17%	0.165	16%	0.16	C	C	.	.	S	Bend	trans	-88.4	153.7	174	-65.5	-177.8	177	-71.9	0	111.1	M213 N216 V217 L220 S241 V245	M213-K243 HydrophobicContact SD-CD 3.78Å; M213-K243 WeakPolarHBondContact SD-CE 3.47Å; M213-K243 HydrophobicContact SD-CG 4.34Å; N216-K243 PolarHBondContact OD1-NZ 3.27Å; V217-K243 HydrophobicContact CG2-CD 4.06Å; V217-K243 WeakPolarHBondContact O-CD 3.23Å; V217-K243 WeakPolarHBondContact O-CE 3.48Å; V217-K243 PolarHBondContact O-NZ 3.09Å; L220-K243 HydrophobicContact CD1-CB 4.18Å; L220-K243 HydrophobicContact CG-CB 4.49Å; S241-K243 PolarHBondContact O-N 2.65Å; S241-K243 WeakPolarHBondContact OG-CB 3.42Å; S241-K243 PolarHBondContact OG-N 2.78Å; K243-V245 PolarHBondContact O-N 2.97Å
244	P	98.8	Very high	98.3	Very high	35 Å²	35	29.2 Å²	29.2	23%	0.227	18%	0.184	C	C	.	.			trans	-58.7	138.3	172	-23.3	34.8	0	0	0	111.5	I77 L78 F219 L220	I77-P244 HydrophobicContact CG2-CB 3.64Å; I77-P244 HydrophobicContact CG2-CG 3.81Å; L78-P244 HydrophobicContact CD1-CB 3.95Å; L78-P244 HydrophobicContact CD1-CG 3.88Å; L78-P244 HydrophobicContact CD2-CB 4.36Å; L78-P244 HydrophobicContact CG-CB 3.89Å; L78-P244 HydrophobicContact CG-CG 3.92Å; F219-P244 HydrophobicContact CB-CB 4.14Å; F219-P244 WeakPolarHBondContact CB-O 3.18Å; L220-P244 PolarHBondContact N-O 3.47Å
245	V	98.9	Very high	98.3	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.3	177.6	-178.1	0	0	0	0	109.7	L220 V235 L238 I239 K243 S275 I276	L220-V245 HydrophobicContact CB-CG2 4.38Å; L220-V245 WeakPolarHBondContact O-CA 3.35Å; V235-V245 HydrophobicContact CG1-CG1 4.31Å; V235-V245 HydrophobicContact CG2-CG1 4.25Å; L238-V245 HydrophobicContact CB-CG1 4.19Å; L238-V245 HydrophobicContact CB-CG2 3.74Å; L238-V245 HydrophobicContact CD1-CG1 4.1Å; I239-V245 HydrophobicContact CB-CG2 4.47Å; I239-V245 HydrophobicContact CG2-CB 4.15Å; I239-V245 HydrophobicContact CG2-CG2 3.64Å; K243-V245 PolarHBondContact O-N 2.97Å; V245-S275 PolarHBondContact O-N 2.9Å; V245-S275 PolarHBondContact O-OG 2.91Å; V245-I276 PolarHBondContact O-N 3.44Å
246	A	98.9	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	148.9	163.1	0	0	0	0	0	110.4	L220 I221 A222 I276 M309	L220-A246 PolarHBondContact O-N 3.15Å; I221-A246 WeakPolarHBondContact CA-O 3.36Å; I221-A246 HydrophobicContact CG1-CB 4.22Å; I221-A246 HydrophobicContact CG2-CB 4.39Å; A222-A246 PolarHBondContact N-O 2.66Å; A246-I276 CarbonylContact C-O 2.94Å; A246-I276 VanDerWaalsContact CA-O 3.28Å; A246-I276 WeakPolarHBondContact CA-O 3.24Å; A246-I276 HydrophobicContact CB-CB 3.77Å; A246-I276 HydrophobicContact CB-CD1 4.16Å; A246-I276 HydrophobicContact CB-CG1 4.48Å; A246-I276 HydrophobicContact CB-CG2 4.2Å; A246-M309 HydrophobicContact CB-SD 3.97Å
247	A	98.9	Very high	98	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	121.9	176.3	0	0	0	0	0	111.6	A222 V235 L269 A274 I276 I277 G278	A222-A247 CarbonylContact O-C 3.49Å; A222-A247 VanDerWaalsContact O-CA 3.31Å; A222-A247 WeakPolarHBondContact O-CA 3.44Å; V235-A247 HydrophobicContact CG2-CB 3.73Å; A247-L269 HydrophobicContact CB-CB 4.35Å; A247-L269 HydrophobicContact CB-CD1 3.99Å; A247-L269 HydrophobicContact CB-CD2 3.99Å; A247-L269 HydrophobicContact CB-CG 4.33Å; A247-A274 HydrophobicContact CB-CB 3.85Å; A247-I276 PolarHBondContact N-O 3.49Å; A247-I277 CarbonylContact O-C 3.51Å; A247-I277 VanDerWaalsContact O-CA 3.26Å; A247-I277 WeakPolarHBondContact O-CA 2.99Å; A247-G278 PolarHBondContact O-N 3.23Å
248	T	98.9	Very high	97.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.1	176.9	50.6	0	0	0	0	111.5	A222 E223 Y224 G278 N280 M309	A222-T248 PolarHBondContact O-N 3.13Å; E223-T248 CarbonylContact C-O 3.55Å; E223-T248 WeakPolarHBondContact CA-O 3.46Å; E223-T248 WeakPolarHBondContact CA-OG1 2.96Å; E223-T248 WeakPolarHBondContact CB-OG1 3.3Å; Y224-T248 PolarHBondContact N-O 2.77Å; T248-G278 WeakPolarHBondContact CA-O 2.99Å; T248-N280 WeakPolarHBondContact CB-OD1 3.41Å; T248-N280 PolarHBondContact O-OD1 3.01Å; T248-N280 PolarHBondContact OG1-OD1 3.34Å; T248-M309 HydrophobicContact CG2-CB 4.27Å; T248-M309 HydrophobicContact CG2-CE 3.8Å; T248-M309 HydrophobicContact CG2-CG 3.73Å; T248-M309 HydrophobicContact CG2-SD 3.75Å
249	M	98.8	Very high	97.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	146.7	179	-67.2	-172.1	72.4	0	0	111.1	F225 V228 I251 D256 C265 L269 G278 V279 N280 M295	F225-M249 HydrophobicContact CB-CG 4.37Å; F225-M249 WeakPolarHBondContact O-CA 3.36Å; F225-M249 WeakPolarHBondContact O-CB 3.5Å; F225-M249 WeakPolarHBondContact O-CE 2.91Å; V228-M249 HydrophobicContact CB-CE 3.76Å; V228-M249 HydrophobicContact CB-SD 3.88Å; V228-M249 HydrophobicContact CG2-CE 4.46Å; V228-M249 HydrophobicContact CG2-SD 3.95Å; M249-I251 VanDerWaalsContact C-N 3.28Å; M249-I251 HydrophobicContact CB-CD1 4.14Å; M249-I251 HydrophobicContact CB-CG1 3.82Å; M249-I251 HydrophobicContact CB-CG2 4.25Å; M249-I251 HydrophobicContact CE-CD1 3.96Å; M249-I251 HydrophobicContact CE-CG2 3.97Å; M249-I251 PolarHBondContact O-N 3.28Å; M249-I251 HydrophobicContact SD-CD1 3.98Å; M249-D256 HydrophobicContact CE-CB 4.01Å; M249-C265 HydrophobicContact SD-CB 3.87Å; M249-L269 HydrophobicContact CG-CD1 4.16Å; M249-L269 HydrophobicContact SD-CD1 4.08Å; M249-G278 PolarHBondContact N-O 3.11Å; M249-G278 VanDerWaalsContact N-O 3.15Å; M249-V279 WeakPolarHBondContact O-CA 3.42Å; M249-V279 VanDerWaalsContact O-CB 3.27Å; M249-V279 WeakPolarHBondContact O-CB 3.47Å; M249-N280 PolarHBondContact O-N 3.26Å; M249-M295 HydrophobicContact CB-CE 4.49Å
250	C	98.3	Very high	97.6	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.02	20%	0.201	C	C	.	.			trans	-94.6	58.3	175	55	0	0	0	0	110.2	Y224 F225 E226 N280 C281 H282	Y224-C250 HydrophobicContact CD2-CB 4.05Å; Y224-C250 HydrophobicContact CE2-CB 4.48Å; F225-C250 VanDerWaalsContact C-SG 3.53Å; F225-C250 PolarHBondContact O-N 3.34Å; F225-C250 VanDerWaalsContact O-N 3.11Å; E226-C250 VanDerWaalsContact CG-SG 3.57Å; C250-N280 WeakPolarHBondContact CA-O 3.2Å; C250-N280 VanDerWaalsContact CB-O 3.23Å; C250-N280 WeakPolarHBondContact CB-O 3.39Å; C250-C281 HydrophobicContact CB-CB 4.29Å; C250-H282 HydrophobicContact CB-CB 4.04Å; C250-H282 PolarHBondContact O-ND1 2.91Å
251	I	98.6	Very high	97.7	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	19%	0.188	C	C	.	.			trans	-124.8	150.5	-175.4	67.6	172.5	0	0	0	111.6	M249 D256 C265 T291 M295	M249-I251 VanDerWaalsContact C-N 3.28Å; M249-I251 HydrophobicContact CB-CD1 4.14Å; M249-I251 HydrophobicContact CB-CG1 3.82Å; M249-I251 HydrophobicContact CB-CG2 4.25Å; M249-I251 HydrophobicContact CE-CD1 3.96Å; M249-I251 HydrophobicContact CE-CG2 3.97Å; M249-I251 PolarHBondContact O-N 3.28Å; M249-I251 HydrophobicContact SD-CD1 3.98Å; I251-D256 HydrophobicContact CD1-CB 4.29Å; I251-D256 HydrophobicContact CG2-CB 4.22Å; I251-C265 HydrophobicContact CD1-CB 4.36Å; I251-T291 HydrophobicContact CG1-CG2 4.38Å; I251-T291 PolarHBondContact O-OG1 2.96Å; I251-M295 HydrophobicContact CD1-CE 4.28Å; I251-M295 HydrophobicContact CG1-CE 4.45Å
252	G	98.3	Very high	97.8	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.021	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-90	-175.1	177.8	0	0	0	0	0	113.3	E254 G255 T291	G252-E254 PolarHBondContact O-N 2.62Å; G252-E254 VanDerWaalsContact O-N 3.16Å; G252-G255 PolarHBondContact O-N 3.16Å; G252-G255 VanDerWaalsContact O-N 3.09Å; G252-T291 VanDerWaalsContact C-OG1 3.26Å
253	P	98.5	Very high	97.8	Very high	46 Å²	46	25.7 Å²	25.7	30%	0.299	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-23.5	175.3	-27.3	37.2	0	0	0	114.5	G255 I287 Q290 T291 L294	P253-G255 PolarHBondContact O-N 2.85Å; P253-I287 HydrophobicContact CG-CG2 4.14Å; P253-Q290 HydrophobicContact CG-CB 3.96Å; P253-T291 WeakPolarHBondContact CD-OG1 3.44Å; P253-L294 HydrophobicContact CB-CD1 3.8Å
254	E	97.9	Very high	97.9	Very high	132 Å²	132	28.7 Å²	28.7	62%	0.617	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.4	175.7	-69.5	-177.2	-125.3	0	0	114.1	G252 K322	G252-E254 PolarHBondContact O-N 2.62Å; G252-E254 VanDerWaalsContact O-N 3.16Å; E254-K322 HydrophobicContact CB-CB 4.17Å; E254-K322 HydrophobicContact CG-CB 4.46Å
255	G	97.4	Very high	97.9	Very high	2 Å²	2	27 Å²	27	2%	0.021	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	95.9	-168.7	-176.9	0	0	0	0	0	114	G252 P253 V260	G252-G255 PolarHBondContact O-N 3.16Å; G252-G255 VanDerWaalsContact O-N 3.09Å; P253-G255 PolarHBondContact O-N 2.85Å; G255-V260 CarbonylContact C-O 3.46Å; G255-V260 WeakPolarHBondContact CA-O 3.37Å
256	D	97.4	Very high	97.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	16%	0.155	C	C	.	.	S	Bend	trans	-76.4	174.9	-178.5	95.8	-22.5	0	0	0	112.8	E226 H227 V228 M249 I251 H258 G259 V260	E226-D256 WeakPolarHBondContact O-CB 3.36Å; H227-D256 WeakPolarHBondContact CA-OD2 3.27Å; V228-D256 PolarHBondContact N-OD2 2.98Å; M249-D256 HydrophobicContact CE-CB 4.01Å; I251-D256 HydrophobicContact CD1-CB 4.29Å; I251-D256 HydrophobicContact CG2-CB 4.22Å; D256-H258 PolarHBondContact O-N 3.13Å; D256-H258 WeakPolarHBondContact OD1-CA 3.31Å; D256-H258 WeakPolarHBondContact OD1-CB 3.32Å; D256-H258 PolarHBondContact OD1-N 3.33Å; D256-G259 WeakPolarHBondContact O-CA 3.12Å; D256-G259 PolarHBondContact O-N 3.26Å; D256-G259 PolarHBondContact OD1-N 2.99Å; D256-G259 VanDerWaalsContact OD1-N 3.08Å; D256-V260 PolarHBondContact N-O 2.7Å; D256-V260 WeakPolarHBondContact OD1-CB 3.46Å; D256-V260 WeakPolarHBondContact OD1-CG2 3.41Å; D256-V260 PolarHBondContact OD1-N 3.13Å
257	L	92.9	Very high	97.9	Very high	26 Å²	26	27.8 Å²	27.8	14%	0.136	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-10.3	-177.8	-64.5	-172.9	0	0	0	114.8	E226	E226-L257 HydrophobicContact CB-CD1 3.73Å; E226-L257 HydrophobicContact CB-CG 3.99Å; E226-L257 HydrophobicContact CG-CD1 4.27Å; E226-L257 PolarHBondContact O-N 2.87Å
258	H	93.2	Very high	97.9	Very high	93 Å²	93	31.7 Å²	31.7	43%	0.431	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.2	166.3	-62.3	154.7	0	0	0	113	Y192 H227 E229 D256 V260	Y192-H258 PolarHBondContact OH-CE1 3.29Å; H227-H258 AromaticContact CD2-CD2 3.91Å; H227-H258 AromaticContact CD2-CE1 3.84Å; H227-H258 AromaticContact CD2-NE2 3.62Å; E229-H258 IonicContact OE2-CE1 2.73Å; D256-H258 PolarHBondContact O-N 3.13Å; D256-H258 WeakPolarHBondContact OD1-CA 3.31Å; D256-H258 WeakPolarHBondContact OD1-CB 3.32Å; D256-H258 PolarHBondContact OD1-N 3.33Å; H258-V260 HydrophobicContact CB-CG2 4.32Å
259	G	95.6	Very high	97.9	Very high	46 Å²	46	31.7 Å²	31.7	47%	0.474	18%	0.175	S	C	.	.			trans	83.8	16.3	-176.8	0	0	0	0	0	114	D256 P261	D256-G259 WeakPolarHBondContact O-CA 3.12Å; D256-G259 PolarHBondContact O-N 3.26Å; D256-G259 PolarHBondContact OD1-N 2.99Å; D256-G259 VanDerWaalsContact OD1-N 3.08Å; G259-P261 WeakPolarHBondContact O-CD 3.46Å
260	V	98.4	Very high	97.9	Very high	20 Å²	20	32.7 Å²	32.7	12%	0.121	18%	0.181	C	C	.	.			trans	-73.2	120.2	175.5	-175.4	0	0	0	0	108.9	V228 G255 D256 H258 E264 C265	V228-V260 HydrophobicContact CG1-CB 4.17Å; V228-V260 HydrophobicContact CG1-CG1 4.04Å; V228-V260 HydrophobicContact CG1-CG2 4.24Å; G255-V260 CarbonylContact C-O 3.46Å; G255-V260 WeakPolarHBondContact CA-O 3.37Å; D256-V260 PolarHBondContact N-O 2.7Å; D256-V260 WeakPolarHBondContact OD1-CB 3.46Å; D256-V260 WeakPolarHBondContact OD1-CG2 3.41Å; D256-V260 PolarHBondContact OD1-N 3.13Å; H258-V260 HydrophobicContact CB-CG2 4.32Å; V260-E264 HydrophobicContact CG1-CB 3.8Å; V260-E264 HydrophobicContact CG1-CG 3.83Å; V260-C265 PolarHBondContact O-SG 3.14Å; V260-C265 VanDerWaalsContact O-SG 3.33Å
261	P	98.7	Very high	97.9	Very high	69 Å²	69	40 Å²	40	45%	0.448	21%	0.213	S	C	.	.			trans	-63.6	153.3	-175.9	-23.9	34.8	0	0	0	112.7	G259 G263 E264 C265	G259-P261 WeakPolarHBondContact O-CD 3.46Å; P261-G263 VanDerWaalsContact C-N 3.26Å; P261-G263 PolarHBondContact O-N 2.63Å; P261-G263 VanDerWaalsContact O-N 3.15Å; P261-E264 PolarHBondContact O-N 3.22Å; P261-C265 PolarHBondContact O-N 2.8Å; P261-C265 PolarHBondContact O-SG 3.15Å; P261-C265 VanDerWaalsContact O-SG 3.36Å
262	P	98.9	Very high	97.9	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-58.1	-35.4	-176	-25.4	34.9	0	0	0	113.8	C265 A266 T291 L294 M295	P262-C265 WeakPolarHBondContact O-CB 3.38Å; P262-C265 PolarHBondContact O-N 3Å; P262-A266 PolarHBondContact O-N 3.12Å; P262-T291 HydrophobicContact CB-CG2 3.69Å; P262-T291 HydrophobicContact CG-CG2 3.75Å; P262-L294 HydrophobicContact CB-CB 3.99Å; P262-L294 HydrophobicContact CG-CB 4.3Å; P262-L294 HydrophobicContact CG-CD1 4.16Å; P262-M295 HydrophobicContact CB-CE 4.5Å; P262-M295 HydrophobicContact CB-CG 3.89Å; P262-M295 WeakPolarHBondContact O-CG 3.16Å
263	G	98.8	Very high	97.9	Very high	13 Å²	13	41.9 Å²	41.9	13%	0.134	23%	0.232	C	C	.	.	H	α-helix	trans	-61.4	-42	175.2	0	0	0	0	0	113.4	P261 V267 L294	P261-G263 VanDerWaalsContact C-N 3.26Å; P261-G263 PolarHBondContact O-N 2.63Å; P261-G263 VanDerWaalsContact O-N 3.15Å; G263-V267 WeakPolarHBondContact O-CG2 3.21Å; G263-V267 PolarHBondContact O-N 2.8Å; G263-L294 VanDerWaalsContact CA-O 3.31Å; G263-L294 WeakPolarHBondContact CA-O 3.19Å
264	E	98.8	Very high	97.9	Very high	100 Å²	100	39.8 Å²	39.8	47%	0.467	22%	0.219	S	C	.	.	H	α-helix	trans	-70.4	-39.2	174.4	-174.1	-177.5	145	0	0	110.9	V260 P261 A266 V267 R268	V260-E264 HydrophobicContact CG1-CB 3.8Å; V260-E264 HydrophobicContact CG1-CG 3.83Å; P261-E264 PolarHBondContact O-N 3.22Å; E264-A266 VanDerWaalsContact C-N 3.34Å; E264-A266 PolarHBondContact O-N 3.5Å; E264-V267 PolarHBondContact O-N 3.47Å; E264-R268 HydrophobicContact CG-CG 4.38Å; E264-R268 WeakPolarHBondContact O-CG 3.36Å; E264-R268 PolarHBondContact O-N 2.87Å
265	C	98.9	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.3	-48.7	176.2	-65.4	0	0	0	0	111.4	V228 M249 I251 V260 P261 P262 V267 R268 L269	V228-C265 HydrophobicContact CB-CB 4.2Å; V228-C265 HydrophobicContact CG2-CB 4.02Å; M249-C265 HydrophobicContact SD-CB 3.87Å; I251-C265 HydrophobicContact CD1-CB 4.36Å; V260-C265 PolarHBondContact O-SG 3.14Å; V260-C265 VanDerWaalsContact O-SG 3.33Å; P261-C265 PolarHBondContact O-N 2.8Å; P261-C265 PolarHBondContact O-SG 3.15Å; P261-C265 VanDerWaalsContact O-SG 3.36Å; P262-C265 WeakPolarHBondContact O-CB 3.38Å; P262-C265 PolarHBondContact O-N 3Å; C265-V267 PolarHBondContact O-N 2.98Å; C265-R268 PolarHBondContact O-N 2.94Å; C265-L269 WeakPolarHBondContact O-CG 3.43Å; C265-L269 PolarHBondContact O-N 3.12Å
266	A	98.9	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-44.5	176.2	0	0	0	0	0	112.4	P262 E264 R268 L269 V270 I277 M295 L299	P262-A266 PolarHBondContact O-N 3.12Å; E264-A266 VanDerWaalsContact C-N 3.34Å; E264-A266 PolarHBondContact O-N 3.5Å; A266-R268 VanDerWaalsContact C-N 3.32Å; A266-R268 PolarHBondContact O-N 2.98Å; A266-L269 PolarHBondContact O-N 3.46Å; A266-V270 WeakPolarHBondContact O-CG2 3.27Å; A266-V270 PolarHBondContact O-N 3.4Å; A266-I277 HydrophobicContact CB-CD1 3.87Å; A266-I277 HydrophobicContact CB-CG1 4.4Å; A266-M295 HydrophobicContact CB-CB 3.74Å; A266-M295 HydrophobicContact CB-CG 3.94Å; A266-L299 HydrophobicContact CB-CD2 4.1Å; A266-L299 HydrophobicContact CB-CG 4.04Å
267	V	98.9	Very high	98.1	Very high	19 Å²	19	34.9 Å²	34.9	12%	0.115	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-41.5	176.3	167.9	0	0	0	0	111.7	G263 E264 C265 K271 G298 L299 A302 L304	G263-V267 WeakPolarHBondContact O-CG2 3.21Å; G263-V267 PolarHBondContact O-N 2.8Å; E264-V267 PolarHBondContact O-N 3.47Å; C265-V267 PolarHBondContact O-N 2.98Å; V267-K271 HydrophobicContact CG1-CD 4.07Å; V267-K271 WeakPolarHBondContact O-CB 3.42Å; V267-K271 VanDerWaalsContact O-CG 3.28Å; V267-K271 WeakPolarHBondContact O-CG 3.33Å; V267-K271 PolarHBondContact O-N 3.24Å; V267-G298 WeakPolarHBondContact CG2-O 3.34Å; V267-L299 HydrophobicContact CG2-CD2 4.13Å; V267-A302 HydrophobicContact CG1-CB 4.33Å; V267-A302 HydrophobicContact CG2-CB 3.57Å; V267-L304 HydrophobicContact CB-CD1 4.38Å; V267-L304 HydrophobicContact CG1-CD1 3.96Å; V267-L304 HydrophobicContact CG2-CD1 4.35Å
268	R	98.9	Very high	98.4	Very high	83 Å²	83	33.7 Å²	33.7	31%	0.313	19%	0.193	S	C	.	.	H	α-helix	trans	-65.7	-46.1	177.3	-73	-179.8	62.5	168.2	-2.3	111.9	V228 V232 E264 C265 A266 K271 A272	V228-R268 HydrophobicContact CG2-CB 4.13Å; V232-R268 HydrophobicContact CG2-CB 3.98Å; E264-R268 HydrophobicContact CG-CG 4.38Å; E264-R268 WeakPolarHBondContact O-CG 3.36Å; E264-R268 PolarHBondContact O-N 2.87Å; C265-R268 PolarHBondContact O-N 2.94Å; A266-R268 VanDerWaalsContact C-N 3.32Å; A266-R268 PolarHBondContact O-N 2.98Å; R268-K271 PolarHBondContact O-N 3.42Å; R268-A272 WeakPolarHBondContact O-CB 3.49Å; R268-A272 PolarHBondContact O-N 2.81Å
269	L	98.9	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-43.4	178.2	-67.2	172.1	0	0	0	112.4	V228 A231 V232 V235 A247 M249 C265 A266 A272 G273 A274 I277	V228-L269 HydrophobicContact CG2-CD2 4.21Å; V228-L269 HydrophobicContact CG2-CG 4.11Å; A231-L269 HydrophobicContact CB-CD2 3.73Å; V232-L269 HydrophobicContact CG2-CD2 4.37Å; V235-L269 HydrophobicContact CG2-CD2 4.1Å; A247-L269 HydrophobicContact CB-CB 4.35Å; A247-L269 HydrophobicContact CB-CD1 3.99Å; A247-L269 HydrophobicContact CB-CD2 3.99Å; A247-L269 HydrophobicContact CB-CG 4.33Å; M249-L269 HydrophobicContact CG-CD1 4.16Å; M249-L269 HydrophobicContact SD-CD1 4.08Å; C265-L269 WeakPolarHBondContact O-CG 3.43Å; C265-L269 PolarHBondContact O-N 3.12Å; A266-L269 PolarHBondContact O-N 3.46Å; L269-A272 WeakPolarHBondContact O-CB 3.44Å; L269-A272 PolarHBondContact O-N 3.25Å; L269-G273 PolarHBondContact O-N 3.46Å; L269-A274 HydrophobicContact CB-CB 4.28Å; L269-A274 VanDerWaalsContact O-CB 3.24Å; L269-A274 WeakPolarHBondContact O-CB 3.32Å; L269-A274 PolarHBondContact O-N 3.3Å; L269-I277 HydrophobicContact CB-CG2 3.98Å
270	V	98.9	Very high	98.8	Very high	22 Å²	22	27.2 Å²	27.2	13%	0.133	15%	0.151	C	C	.	.	H	α-helix	trans	-67	-39.5	177	176.2	0	0	0	0	111.5	A266 A272 G273 I277 L299 L304 A306	A266-V270 WeakPolarHBondContact O-CG2 3.27Å; A266-V270 PolarHBondContact O-N 3.4Å; V270-A272 VanDerWaalsContact C-N 3.3Å; V270-A272 PolarHBondContact O-N 3.37Å; V270-G273 PolarHBondContact O-N 3.49Å; V270-I277 HydrophobicContact CG2-CG1 4.14Å; V270-I277 HydrophobicContact CG2-CG2 3.71Å; V270-L299 HydrophobicContact CB-CD2 4.15Å; V270-L299 HydrophobicContact CG2-CD1 4.25Å; V270-L299 HydrophobicContact CG2-CD2 3.68Å; V270-L304 HydrophobicContact CB-CD1 4.37Å; V270-L304 HydrophobicContact CG1-CB 4.26Å; V270-L304 HydrophobicContact CG1-CD1 4.24Å; V270-A306 HydrophobicContact CG1-CB 4.48Å; V270-A306 HydrophobicContact CG2-CB 3.52Å
271	K	98.8	Very high	98.8	Very high	157 Å²	157	26.5 Å²	26.5	68%	0.683	15%	0.146	S	C	*	.	H	α-helix	trans	-64.4	-32.4	173.7	-77.6	177.1	177.4	179.5	0	113.3	V267 R268 G273 L304	V267-K271 HydrophobicContact CG1-CD 4.07Å; V267-K271 WeakPolarHBondContact O-CB 3.42Å; V267-K271 VanDerWaalsContact O-CG 3.28Å; V267-K271 WeakPolarHBondContact O-CG 3.33Å; V267-K271 PolarHBondContact O-N 3.24Å; R268-K271 PolarHBondContact O-N 3.42Å; K271-G273 PolarHBondContact O-N 3.09Å; K271-L304 HydrophobicContact CG-CD1 4.17Å
272	A	98.7	Very high	98.7	Very high	11 Å²	11	23.3 Å²	23.3	9%	0.091	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-11.6	172.1	0	0	0	0	0	113.3	V232 V235 E236 I239 R268 L269 V270	V232-A272 HydrophobicContact CB-CB 4.45Å; V232-A272 HydrophobicContact CG1-CB 4.01Å; V232-A272 HydrophobicContact CG2-CB 4.27Å; V235-A272 HydrophobicContact CB-CB 4.08Å; V235-A272 HydrophobicContact CG1-CB 3.76Å; V235-A272 WeakPolarHBondContact CG1-O 3.33Å; E236-A272 HydrophobicContact CG-CB 4.22Å; I239-A272 WeakPolarHBondContact CD1-O 3.29Å; R268-A272 WeakPolarHBondContact O-CB 3.49Å; R268-A272 PolarHBondContact O-N 2.81Å; L269-A272 WeakPolarHBondContact O-CB 3.44Å; L269-A272 PolarHBondContact O-N 3.25Å; V270-A272 VanDerWaalsContact C-N 3.3Å; V270-A272 PolarHBondContact O-N 3.37Å
273	G	98.6	Very high	98.7	Very high	35 Å²	35	23.4 Å²	23.4	36%	0.361	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.1	7.4	175.5	0	0	0	0	0	115.3	L269 V270 K271 S275	L269-G273 PolarHBondContact O-N 3.46Å; V270-G273 PolarHBondContact O-N 3.49Å; K271-G273 PolarHBondContact O-N 3.09Å; G273-S275 PolarHBondContact O-N 3.3Å
274	A	98.8	Very high	98.7	Very high	3 Å²	3	23.1 Å²	23.1	3%	0.025	12%	0.121	C	C	.	.			trans	-67	122.6	175.6	0	0	0	0	0	111.2	V235 A247 L269 I277	V235-A274 HydrophobicContact CG1-CB 4.05Å; V235-A274 HydrophobicContact CG2-CB 4.24Å; A247-A274 HydrophobicContact CB-CB 3.85Å; L269-A274 HydrophobicContact CB-CB 4.28Å; L269-A274 VanDerWaalsContact O-CB 3.24Å; L269-A274 WeakPolarHBondContact O-CB 3.32Å; L269-A274 PolarHBondContact O-N 3.3Å; A274-I277 HydrophobicContact CB-CG2 3.76Å
275	S	98.8	Very high	98.7	Very high	32 Å²	32	18.9 Å²	18.9	22%	0.224	10%	0.102	C	C	.	.	S	Bend	trans	-85.8	-20.8	-179.2	61.1	0	0	0	0	113.6	V245 G273 H307	V245-S275 PolarHBondContact O-N 2.9Å; V245-S275 PolarHBondContact O-OG 2.91Å; G273-S275 PolarHBondContact O-N 3.3Å; S275-H307 PolarHBondContact O-N 3.11Å
276	I	98.9	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	129.4	179.6	-50.8	166.8	0	0	0	105.9	I77 L78 L81 V245 A246 A247 H307 M309	I77-I276 HydrophobicContact CG1-CD1 3.69Å; L78-I276 HydrophobicContact CD2-CG1 4.43Å; L81-I276 HydrophobicContact CD1-CD1 3.52Å; L81-I276 HydrophobicContact CD1-CG1 3.82Å; V245-I276 PolarHBondContact O-N 3.44Å; A246-I276 CarbonylContact C-O 2.94Å; A246-I276 VanDerWaalsContact CA-O 3.28Å; A246-I276 WeakPolarHBondContact CA-O 3.24Å; A246-I276 HydrophobicContact CB-CB 3.77Å; A246-I276 HydrophobicContact CB-CD1 4.16Å; A246-I276 HydrophobicContact CB-CG1 4.48Å; A246-I276 HydrophobicContact CB-CG2 4.2Å; A247-I276 PolarHBondContact N-O 3.49Å; I276-H307 CarbonylContact C-O 3.59Å; I276-H307 VanDerWaalsContact CA-O 3.31Å; I276-H307 WeakPolarHBondContact CA-O 3.43Å; I276-H307 HydrophobicContact CB-CB 4.4Å; I276-H307 HydrophobicContact CG1-CB 4.11Å; I276-H307 HydrophobicContact CG2-CB 4.23Å; I276-M309 HydrophobicContact CG2-CB 3.72Å; I276-M309 HydrophobicContact CG2-CG 4.42Å; I276-M309 HydrophobicContact CG2-SD 3.85Å
277	I	98.9	Very high	98.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	157.3	178.4	63.6	80.4	0	0	0	112.5	A247 A266 L269 V270 A274 M295 L299 A306 H307 L308 M309	A247-I277 CarbonylContact O-C 3.51Å; A247-I277 VanDerWaalsContact O-CA 3.26Å; A247-I277 WeakPolarHBondContact O-CA 2.99Å; A266-I277 HydrophobicContact CB-CD1 3.87Å; A266-I277 HydrophobicContact CB-CG1 4.4Å; L269-I277 HydrophobicContact CB-CG2 3.98Å; V270-I277 HydrophobicContact CG2-CG1 4.14Å; V270-I277 HydrophobicContact CG2-CG2 3.71Å; A274-I277 HydrophobicContact CB-CG2 3.76Å; I277-M295 HydrophobicContact CD1-CB 4.11Å; I277-M295 HydrophobicContact CD1-SD 4.31Å; I277-L299 HydrophobicContact CD1-CD1 3.87Å; I277-L299 HydrophobicContact CG1-CD1 3.87Å; I277-A306 HydrophobicContact CG1-CB 4.07Å; I277-H307 PolarHBondContact N-O 3.3Å; I277-L308 HydrophobicContact CD1-CD2 3.64Å; I277-L308 HydrophobicContact CG1-CD2 4.49Å; I277-L308 CarbonylContact O-C 3.59Å; I277-L308 WeakPolarHBondContact O-CA 3.33Å; I277-M309 WeakPolarHBondContact O-CB 3.35Å; I277-M309 PolarHBondContact O-N 3.35Å
278	G	98.9	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.4	-151.9	178	0	0	0	0	0	115.3	A247 T248 M249 M295 M309	A247-G278 PolarHBondContact O-N 3.23Å; T248-G278 WeakPolarHBondContact CA-O 2.99Å; M249-G278 PolarHBondContact N-O 3.11Å; M249-G278 VanDerWaalsContact N-O 3.15Å; G278-M295 WeakPolarHBondContact O-CE 3.46Å; G278-M309 VanDerWaalsContact CA-O 3.24Å; G278-M309 WeakPolarHBondContact CA-O 3.38Å
279	V	98.9	Very high	98.7	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.018	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.3	176.9	-58	0	0	0	0	112.6	M249 T291 V292 M295 Q311	M249-V279 WeakPolarHBondContact O-CA 3.42Å; M249-V279 VanDerWaalsContact O-CB 3.27Å; M249-V279 WeakPolarHBondContact O-CB 3.47Å; V279-T291 HydrophobicContact CG1-CG2 3.63Å; V279-V292 HydrophobicContact CG2-CG2 3.72Å; V279-M295 HydrophobicContact CG1-CE 3.57Å; V279-M295 HydrophobicContact CG1-SD 3.86Å; V279-Q311 PolarHBondContact O-N 2.86Å
280	N	98.8	Very high	98.7	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	158.1	174.8	77.7	-57.6	0	0	0	112.6	Y224 T248 M249 C250 Q311	Y224-N280 PolarHBondContact N-ND2 3.21Å; Y224-N280 PolarHBondContact N-OD1 3.34Å; T248-N280 WeakPolarHBondContact CB-OD1 3.41Å; T248-N280 PolarHBondContact O-OD1 3.01Å; T248-N280 PolarHBondContact OG1-OD1 3.34Å; M249-N280 PolarHBondContact O-N 3.26Å; C250-N280 WeakPolarHBondContact CA-O 3.2Å; C250-N280 VanDerWaalsContact CB-O 3.23Å; C250-N280 WeakPolarHBondContact CB-O 3.39Å; N280-Q311 CarbonylContact C-O 3.53Å; N280-Q311 WeakPolarHBondContact CA-O 3.26Å; N280-Q311 HydrophobicContact CB-CB 3.88Å
281	C	97.7	Very high	98.7	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.027	13%	0.127	C	C	.	.	S	Bend	trans	58.9	-167.2	177.1	-153.3	0	0	0	0	113.4	Y224 C250 F283 Q311 C363	Y224-C281 HydrophobicContact CD2-CB 3.83Å; Y224-C281 HydrophobicContact CE2-CB 4.24Å; C250-C281 HydrophobicContact CB-CB 4.29Å; C281-F283 PolarHBondContact O-N 3.17Å; C281-Q311 PolarHBondContact N-O 3.19Å; C281-C363 HydrophobicContact CB-CB 4.26Å; C281-C363 VanDerWaalsContact CB-SG 3.55Å
282	H	97.9	Very high	98.7	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.009	10%	0.095	C	C	.	.	S	Bend	trans	55.5	-35	170.2	-82.5	-157.1	0	0	0	119.9	Y224 E226 C250 L313 Q323 G324 F325 I326	Y224-H282 AromaticContact CE2-CD2 3.59Å; Y224-H282 AromaticContact CE2-NE2 3.31Å; Y224-H282 VanDerWaalsContact CE2-NE2 3.31Å; Y224-H282 WeakPolarHBondContact CE2-NE2 3.32Å; Y224-H282 AromaticContact CZ-NE2 3.46Å; Y224-H282 PolarHBondContact OH-NE2 3.1Å; Y224-H282 VanDerWaalsContact OH-NE2 3.08Å; E226-H282 IonicContact OE1-CE1 3.38Å; E226-H282 PolarHBondContact OE1-CE1 3.16Å; C250-H282 HydrophobicContact CB-CB 4.04Å; C250-H282 PolarHBondContact O-ND1 2.91Å; H282-L313 WeakPolarHBondContact O-CD1 3.45Å; H282-Q323 PolarHBondContact ND1-O 3.44Å; H282-G324 CarbonylContact O-C 3.52Å; H282-G324 VanDerWaalsContact O-CA 3.29Å; H282-G324 WeakPolarHBondContact O-CA 3.43Å; H282-F325 PolarHBondContact O-N 2.91Å; H282-I326 WeakPolarHBondContact NE2-CD1 3.34Å
283	F	98.8	Very high	98.8	Very high	7 Å²	7	20 Å²	20	3%	0.031	11%	0.112	C	C	.	.	S	Bend	trans	-128.1	150.5	-173.7	-59.8	-82.7	0	0	0	110.9	C281 I287 S288 L313 C320 N321	C281-F283 PolarHBondContact O-N 3.17Å; F283-I287 HydrophobicContact CB-CB 4.06Å; F283-I287 HydrophobicContact CB-CG2 3.89Å; F283-I287 HydrophobicContact CD1-CD1 4.49Å; F283-I287 HydrophobicContact CD1-CG2 3.69Å; F283-I287 HydrophobicContact CG-CG2 3.96Å; F283-S288 PolarHBondContact O-OG 3.15Å; F283-L313 WeakPolarHBondContact O-CB 3Å; F283-L313 PolarHBondContact O-N 3.04Å; F283-C320 HydrophobicContact CE1-CB 4.49Å; F283-N321 WeakPolarHBondContact CE1-O 3.36Å
284	D	98.8	Very high	98.8	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.037	11%	0.111	C	C	.	.			trans	-63.2	170.2	174.5	77.9	40.4	0	0	0	113.2	T286 I287 S288 Y315 T317	D284-T286 VanDerWaalsContact C-N 3.25Å; D284-T286 PolarHBondContact O-N 2.92Å; D284-T286 WeakPolarHBondContact OD1-CA 3.13Å; D284-T286 VanDerWaalsContact OD1-CB 3.25Å; D284-T286 WeakPolarHBondContact OD1-CB 3.24Å; D284-T286 PolarHBondContact OD1-N 3.02Å; D284-I287 PolarHBondContact O-N 2.96Å; D284-I287 PolarHBondContact OD1-N 3.22Å; D284-S288 VanDerWaalsContact O-CB 3.26Å; D284-S288 WeakPolarHBondContact O-CB 3.41Å; D284-S288 PolarHBondContact O-N 3.04Å; D284-S288 PolarHBondContact O-OG 3.31Å; D284-Y315 WeakPolarHBondContact CB-O 3.16Å; D284-T317 WeakPolarHBondContact CB-OG1 3.44Å; D284-T317 PolarHBondContact N-OG1 3.38Å; D284-T317 PolarHBondContact OD2-N 2.9Å
285	P	98.9	Very high	98.8	Very high	10 Å²	10	21.2 Å²	21.2	7%	0.065	11%	0.11	C	C	.	.	H	α-helix	trans	-62	-28.4	-177.7	-23.8	35.3	0	0	0	114.6	L289 P312 L313 I345 Y348	P285-L289 WeakPolarHBondContact O-CG 3.45Å; P285-L289 PolarHBondContact O-N 2.97Å; P285-P312 HydrophobicContact CB-CB 4.2Å; P285-P312 HydrophobicContact CB-CG 3.95Å; P285-P312 HydrophobicContact CG-CB 4.1Å; P285-P312 HydrophobicContact CG-CG 3.92Å; P285-L313 WeakPolarHBondContact CD-O 3.31Å; P285-L313 WeakPolarHBondContact CG-O 3.33Å; P285-I345 HydrophobicContact CG-CD1 4.35Å; P285-Y348 HydrophobicContact CB-CD2 3.55Å; P285-Y348 HydrophobicContact CB-CE2 4.33Å; P285-Y348 HydrophobicContact CB-CG 3.68Å; P285-Y348 HydrophobicContact CG-CG 4.49Å
286	T	98.8	Very high	98.8	Very high	62 Å²	62	22.5 Å²	22.5	38%	0.38	11%	0.111	S	C	.	.	H	α-helix	trans	-74.4	-50.7	-178.8	-51.2	0	0	0	0	110.2	D284 S288 L289 Q290	D284-T286 VanDerWaalsContact C-N 3.25Å; D284-T286 PolarHBondContact O-N 2.92Å; D284-T286 WeakPolarHBondContact OD1-CA 3.13Å; D284-T286 VanDerWaalsContact OD1-CB 3.25Å; D284-T286 WeakPolarHBondContact OD1-CB 3.24Å; D284-T286 PolarHBondContact OD1-N 3.02Å; T286-S288 VanDerWaalsContact C-N 3.33Å; T286-L289 PolarHBondContact O-N 3.04Å; T286-Q290 WeakPolarHBondContact O-CG 3.32Å; T286-Q290 PolarHBondContact O-N 3.01Å
287	I	98.8	Very high	98.8	Very high	30 Å²	30	26.5 Å²	26.5	15%	0.154	13%	0.13	C	C	.	.	H	α-helix	trans	-65	-41	179.1	-61.8	170.2	0	0	0	110	P253 F283 D284 L289 Q290 T291 T317	P253-I287 HydrophobicContact CG-CG2 4.14Å; F283-I287 HydrophobicContact CB-CB 4.06Å; F283-I287 HydrophobicContact CB-CG2 3.89Å; F283-I287 HydrophobicContact CD1-CD1 4.49Å; F283-I287 HydrophobicContact CD1-CG2 3.69Å; F283-I287 HydrophobicContact CG-CG2 3.96Å; D284-I287 PolarHBondContact O-N 2.96Å; D284-I287 PolarHBondContact OD1-N 3.22Å; I287-L289 VanDerWaalsContact C-N 3.35Å; I287-L289 PolarHBondContact O-N 3.31Å; I287-Q290 WeakPolarHBondContact O-CB 3.24Å; I287-Q290 PolarHBondContact O-N 3.45Å; I287-Q290 VanDerWaalsContact O-N 3.1Å; I287-T291 PolarHBondContact O-N 3.03Å; I287-T291 VanDerWaalsContact O-N 3.09Å; I287-T291 PolarHBondContact O-OG1 3.46Å; I287-T317 WeakPolarHBondContact CD1-O 3.16Å
288	S	98.9	Very high	98.8	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.014	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-42.9	177.9	-65.7	0	0	0	0	112.9	F283 D284 T286 Q290 T291 V292 P312	F283-S288 PolarHBondContact O-OG 3.15Å; D284-S288 VanDerWaalsContact O-CB 3.26Å; D284-S288 WeakPolarHBondContact O-CB 3.41Å; D284-S288 PolarHBondContact O-N 3.04Å; D284-S288 PolarHBondContact O-OG 3.31Å; T286-S288 VanDerWaalsContact C-N 3.33Å; S288-Q290 VanDerWaalsContact C-N 3.33Å; S288-Q290 PolarHBondContact O-N 3.4Å; S288-T291 PolarHBondContact O-N 3.4Å; S288-V292 WeakPolarHBondContact O-CG2 3.32Å; S288-V292 PolarHBondContact O-N 3.48Å; S288-P312 WeakPolarHBondContact OG-CB 3.43Å
289	L	98.9	Very high	98.8	Very high	15 Å²	15	27.6 Å²	27.6	8%	0.079	14%	0.14	C	C	.	.	H	α-helix	trans	-70.6	-26.7	177.3	-69.7	-176.9	0	0	0	113.4	P285 T286 I287 K293 Y348 E351 A352 L355 V357	P285-L289 WeakPolarHBondContact O-CG 3.45Å; P285-L289 PolarHBondContact O-N 2.97Å; T286-L289 PolarHBondContact O-N 3.04Å; I287-L289 VanDerWaalsContact C-N 3.35Å; I287-L289 PolarHBondContact O-N 3.31Å; L289-K293 WeakPolarHBondContact O-CB 3.41Å; L289-K293 PolarHBondContact O-N 2.99Å; L289-Y348 HydrophobicContact CD1-CD2 3.77Å; L289-Y348 HydrophobicContact CD1-CE2 4.16Å; L289-Y348 HydrophobicContact CD2-CD2 4.44Å; L289-Y348 HydrophobicContact CD2-CE2 3.98Å; L289-Y348 HydrophobicContact CG-CD2 4.04Å; L289-Y348 HydrophobicContact CG-CE2 4.02Å; L289-E351 HydrophobicContact CD1-CB 3.64Å; L289-A352 HydrophobicContact CD1-CB 4.12Å; L289-A352 HydrophobicContact CD2-CB 3.76Å; L289-L355 HydrophobicContact CB-CD2 4.4Å; L289-L355 HydrophobicContact CD2-CD2 4.2Å; L289-L355 WeakPolarHBondContact O-CD2 3.37Å; L289-V357 HydrophobicContact CD2-CG2 4.24Å
290	Q	98.9	Very high	98.8	Very high	100 Å²	100	33.1 Å²	33.1	47%	0.467	17%	0.165	S	C	.	.	H	α-helix	trans	-64.7	-44.5	169.6	-63.6	166.8	11.8	0	0	110.7	P253 T286 I287 S288 K293 L294	P253-Q290 HydrophobicContact CG-CB 3.96Å; T286-Q290 WeakPolarHBondContact O-CG 3.32Å; T286-Q290 PolarHBondContact O-N 3.01Å; I287-Q290 WeakPolarHBondContact O-CB 3.24Å; I287-Q290 PolarHBondContact O-N 3.45Å; I287-Q290 VanDerWaalsContact O-N 3.1Å; S288-Q290 VanDerWaalsContact C-N 3.33Å; S288-Q290 PolarHBondContact O-N 3.4Å; Q290-K293 WeakPolarHBondContact O-CB 3.13Å; Q290-K293 PolarHBondContact O-N 2.95Å; Q290-L294 PolarHBondContact O-N 2.96Å; Q290-L294 VanDerWaalsContact O-N 3.15Å
291	T	98.9	Very high	98.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-44.1	175.2	-44.5	0	0	0	0	111.9	I251 G252 P253 P262 V279 I287 S288 K293 L294 M295	I251-T291 HydrophobicContact CG1-CG2 4.38Å; I251-T291 PolarHBondContact O-OG1 2.96Å; G252-T291 VanDerWaalsContact C-OG1 3.26Å; P253-T291 WeakPolarHBondContact CD-OG1 3.44Å; P262-T291 HydrophobicContact CB-CG2 3.69Å; P262-T291 HydrophobicContact CG-CG2 3.75Å; V279-T291 HydrophobicContact CG1-CG2 3.63Å; I287-T291 PolarHBondContact O-N 3.03Å; I287-T291 VanDerWaalsContact O-N 3.09Å; I287-T291 PolarHBondContact O-OG1 3.46Å; S288-T291 PolarHBondContact O-N 3.4Å; T291-K293 VanDerWaalsContact C-N 3.27Å; T291-K293 PolarHBondContact O-N 3.28Å; T291-L294 PolarHBondContact O-N 3.33Å; T291-L294 VanDerWaalsContact O-N 3.16Å; T291-M295 HydrophobicContact CG2-CE 4.34Å; T291-M295 WeakPolarHBondContact O-CG 3.27Å; T291-M295 PolarHBondContact O-N 3.18Å
292	V	98.9	Very high	98.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-35.1	176.8	175.6	0	0	0	0	111.8	V279 S288 M295 K296 L308 L355 V357	V279-V292 HydrophobicContact CG2-CG2 3.72Å; S288-V292 WeakPolarHBondContact O-CG2 3.32Å; S288-V292 PolarHBondContact O-N 3.48Å; V292-M295 PolarHBondContact O-N 3.19Å; V292-K296 WeakPolarHBondContact O-CB 3.5Å; V292-K296 PolarHBondContact O-N 2.95Å; V292-L308 HydrophobicContact CG1-CB 4.45Å; V292-L308 HydrophobicContact CG1-CD1 4.35Å; V292-L355 HydrophobicContact CB-CD2 4.13Å; V292-L355 HydrophobicContact CG1-CD2 3.93Å; V292-V357 HydrophobicContact CG1-CG2 3.89Å
293	K	98.9	Very high	98.8	Very high	107 Å²	107	50.2 Å²	50.2	47%	0.465	26%	0.258	S	S	.	.	H	α-helix	trans	-62.5	-47.1	173.9	-176.9	-175.1	167.3	-167.5	0	111.3	L289 Q290 T291 M295 K296 E297 L355	L289-K293 WeakPolarHBondContact O-CB 3.41Å; L289-K293 PolarHBondContact O-N 2.99Å; Q290-K293 WeakPolarHBondContact O-CB 3.13Å; Q290-K293 PolarHBondContact O-N 2.95Å; T291-K293 VanDerWaalsContact C-N 3.27Å; T291-K293 PolarHBondContact O-N 3.28Å; K293-M295 VanDerWaalsContact C-N 3.34Å; K293-M295 PolarHBondContact O-N 3.01Å; K293-K296 WeakPolarHBondContact O-CB 3.2Å; K293-K296 PolarHBondContact O-N 3.16Å; K293-E297 WeakPolarHBondContact CE-OE1 3.18Å; K293-E297 IonicContact NZ-OE1 2.72Å; K293-E297 WeakPolarHBondContact O-CG 3.44Å; K293-E297 PolarHBondContact O-N 2.93Å; K293-L355 HydrophobicContact CB-CD1 3.97Å; K293-L355 HydrophobicContact CB-CD2 4.22Å; K293-L355 HydrophobicContact CG-CD1 4.06Å
294	L	98.9	Very high	98.8	Very high	63 Å²	63	52.3 Å²	52.3	33%	0.33	27%	0.269	S	S	.	.	H	α-helix	trans	-63.4	-38.5	176.4	-66.6	169.4	0	0	0	112.3	P253 P262 G263 Q290 T291 E297 G298	P253-L294 HydrophobicContact CB-CD1 3.8Å; P262-L294 HydrophobicContact CB-CB 3.99Å; P262-L294 HydrophobicContact CG-CB 4.3Å; P262-L294 HydrophobicContact CG-CD1 4.16Å; G263-L294 VanDerWaalsContact CA-O 3.31Å; G263-L294 WeakPolarHBondContact CA-O 3.19Å; Q290-L294 PolarHBondContact O-N 2.96Å; Q290-L294 VanDerWaalsContact O-N 3.15Å; T291-L294 PolarHBondContact O-N 3.33Å; T291-L294 VanDerWaalsContact O-N 3.16Å; L294-E297 PolarHBondContact O-N 3.05Å; L294-G298 PolarHBondContact O-N 3.27Å
295	M	98.9	Very high	98.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.5	-47.2	172.3	-73.6	-173.6	168.1	0	0	111.8	M249 I251 P262 A266 I277 G278 V279 T291 V292 K293 G298 L299	M249-M295 HydrophobicContact CB-CE 4.49Å; I251-M295 HydrophobicContact CD1-CE 4.28Å; I251-M295 HydrophobicContact CG1-CE 4.45Å; P262-M295 HydrophobicContact CB-CE 4.5Å; P262-M295 HydrophobicContact CB-CG 3.89Å; P262-M295 WeakPolarHBondContact O-CG 3.16Å; A266-M295 HydrophobicContact CB-CB 3.74Å; A266-M295 HydrophobicContact CB-CG 3.94Å; I277-M295 HydrophobicContact CD1-CB 4.11Å; I277-M295 HydrophobicContact CD1-SD 4.31Å; G278-M295 WeakPolarHBondContact O-CE 3.46Å; V279-M295 HydrophobicContact CG1-CE 3.57Å; V279-M295 HydrophobicContact CG1-SD 3.86Å; T291-M295 HydrophobicContact CG2-CE 4.34Å; T291-M295 WeakPolarHBondContact O-CG 3.27Å; T291-M295 PolarHBondContact O-N 3.18Å; V292-M295 PolarHBondContact O-N 3.19Å; K293-M295 VanDerWaalsContact C-N 3.34Å; K293-M295 PolarHBondContact O-N 3.01Å; M295-G298 PolarHBondContact O-N 3.15Å; M295-L299 PolarHBondContact O-N 3.4Å; M295-L299 VanDerWaalsContact O-N 3.1Å
296	K	98.9	Very high	98.7	Very high	59 Å²	59	62.2 Å²	62.2	26%	0.257	32%	0.316	S	S	.	.	H	α-helix	trans	-60.4	-48.1	177.1	179.8	-174.9	177.1	-177.8	0	111.8	V292 K293 G298 L299 E300 L308 L355	V292-K296 WeakPolarHBondContact O-CB 3.5Å; V292-K296 PolarHBondContact O-N 2.95Å; K293-K296 WeakPolarHBondContact O-CB 3.2Å; K293-K296 PolarHBondContact O-N 3.16Å; K296-G298 VanDerWaalsContact C-N 3.29Å; K296-G298 PolarHBondContact O-N 2.83Å; K296-L299 PolarHBondContact O-N 3.36Å; K296-L299 VanDerWaalsContact O-N 3.16Å; K296-E300 WeakPolarHBondContact CE-OE1 3.36Å; K296-E300 HydrophobicContact CG-CG 4.46Å; K296-E300 WeakPolarHBondContact O-CG 3.4Å; K296-E300 PolarHBondContact O-N 2.97Å; K296-L308 HydrophobicContact CB-CD1 3.96Å; K296-L308 HydrophobicContact CB-CD2 4.48Å; K296-L308 HydrophobicContact CD-CD1 3.85Å; K296-L308 HydrophobicContact CG-CD1 3.95Å; K296-L355 HydrophobicContact CD-CD1 4.45Å; K296-L355 PolarHBondContact NZ-O 3.41Å
297	E	98.9	Very high	98.7	Very high	84 Å²	84	61.3 Å²	61.3	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-59.3	-39.8	178.1	-72.7	169.7	168.1	0	0	111.7	K293 L294 E300 A301	K293-E297 WeakPolarHBondContact CE-OE1 3.18Å; K293-E297 IonicContact NZ-OE1 2.72Å; K293-E297 WeakPolarHBondContact O-CG 3.44Å; K293-E297 PolarHBondContact O-N 2.93Å; L294-E297 PolarHBondContact O-N 3.05Å; E297-E300 PolarHBondContact O-N 3.39Å; E297-A301 WeakPolarHBondContact O-CB 3.11Å; E297-A301 PolarHBondContact O-N 2.88Å
298	G	98.8	Very high	98.8	Very high	16 Å²	16	60.5 Å²	60.5	17%	0.165	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-43.2	173.5	0	0	0	0	0	113.8	V267 L294 M295 K296 A302	V267-G298 WeakPolarHBondContact CG2-O 3.34Å; L294-G298 PolarHBondContact O-N 3.27Å; M295-G298 PolarHBondContact O-N 3.15Å; K296-G298 VanDerWaalsContact C-N 3.29Å; K296-G298 PolarHBondContact O-N 2.83Å; G298-A302 VanDerWaalsContact O-CB 3.3Å; G298-A302 WeakPolarHBondContact O-CB 3.39Å; G298-A302 PolarHBondContact O-N 3.27Å
299	L	98.8	Very high	98.8	Very high	8 Å²	8	60.4 Å²	60.4	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-42.8	175.4	-67.3	-177.9	0	0	0	112.3	A266 V267 V270 I277 M295 K296 A302 R303 L304 A306	A266-L299 HydrophobicContact CB-CD2 4.1Å; A266-L299 HydrophobicContact CB-CG 4.04Å; V267-L299 HydrophobicContact CG2-CD2 4.13Å; V270-L299 HydrophobicContact CB-CD2 4.15Å; V270-L299 HydrophobicContact CG2-CD1 4.25Å; V270-L299 HydrophobicContact CG2-CD2 3.68Å; I277-L299 HydrophobicContact CD1-CD1 3.87Å; I277-L299 HydrophobicContact CG1-CD1 3.87Å; M295-L299 PolarHBondContact O-N 3.4Å; M295-L299 VanDerWaalsContact O-N 3.1Å; K296-L299 PolarHBondContact O-N 3.36Å; K296-L299 VanDerWaalsContact O-N 3.16Å; L299-A302 CarbonylContact O-C 3.59Å; L299-A302 PolarHBondContact O-N 3.33Å; L299-R303 PolarHBondContact O-N 3.36Å; L299-L304 HydrophobicContact CD2-CB 3.94Å; L299-L304 HydrophobicContact CD2-CD1 4.34Å; L299-L304 PolarHBondContact O-N 3.38Å; L299-A306 HydrophobicContact CD1-CB 4.14Å
300	E	98.7	Very high	98.8	Very high	118 Å²	118	59.7 Å²	59.7	55%	0.551	30%	0.298	S	S	*	.	H	α-helix	trans	-62	-45.7	178	-73.7	177.4	171.7	0	0	111.2	K296 E297 A302 R303	K296-E300 WeakPolarHBondContact CE-OE1 3.36Å; K296-E300 HydrophobicContact CG-CG 4.46Å; K296-E300 WeakPolarHBondContact O-CG 3.4Å; K296-E300 PolarHBondContact O-N 2.97Å; E297-E300 PolarHBondContact O-N 3.39Å; E300-A302 VanDerWaalsContact C-N 3.34Å; E300-A302 PolarHBondContact O-N 2.89Å; E300-R303 PolarHBondContact O-N 3.25Å; E300-R303 VanDerWaalsContact O-N 3.09Å
301	A	98.6	Very high	98.8	Very high	86 Å²	86	55.1 Å²	55.1	71%	0.711	28%	0.277	S	S	*	.	H	α-helix	trans	-61.6	-40	174.5	0	0	0	0	0	112.5	E297 R303	E297-A301 WeakPolarHBondContact O-CB 3.11Å; E297-A301 PolarHBondContact O-N 2.88Å; A301-R303 PolarHBondContact O-N 3.41Å
302	A	98.5	Very high	98.8	Very high	47 Å²	47	55.1 Å²	55.1	39%	0.388	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.7	175.5	0	0	0	0	0	114.4	V267 G298 L299 E300 L304	V267-A302 HydrophobicContact CG1-CB 4.33Å; V267-A302 HydrophobicContact CG2-CB 3.57Å; G298-A302 VanDerWaalsContact O-CB 3.3Å; G298-A302 WeakPolarHBondContact O-CB 3.39Å; G298-A302 PolarHBondContact O-N 3.27Å; L299-A302 CarbonylContact O-C 3.59Å; L299-A302 PolarHBondContact O-N 3.33Å; E300-A302 VanDerWaalsContact C-N 3.34Å; E300-A302 PolarHBondContact O-N 2.89Å; A302-L304 HydrophobicContact CB-CD1 4.18Å; A302-L304 HydrophobicContact CB-CG 4.16Å; A302-L304 PolarHBondContact O-N 2.97Å
303	R	98.5	Very high	98.8	Very high	234 Å²	234	55.1 Å²	55.1	88%	0.883	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	27.9	-173.4	-54.7	-179.6	179.8	176.4	-0.3	114.1	L299 E300 A301	L299-R303 PolarHBondContact O-N 3.36Å; E300-R303 PolarHBondContact O-N 3.25Å; E300-R303 VanDerWaalsContact O-N 3.09Å; A301-R303 PolarHBondContact O-N 3.41Å
304	L	98.4	Very high	98.7	Very high	51 Å²	51	50 Å²	50	27%	0.267	26%	0.255	S	S	.	.			trans	-90.3	155.7	174.1	-68.8	175.7	0	0	0	110.5	V267 V270 K271 L299 A302	V267-L304 HydrophobicContact CB-CD1 4.38Å; V267-L304 HydrophobicContact CG1-CD1 3.96Å; V267-L304 HydrophobicContact CG2-CD1 4.35Å; V270-L304 HydrophobicContact CB-CD1 4.37Å; V270-L304 HydrophobicContact CG1-CB 4.26Å; V270-L304 HydrophobicContact CG1-CD1 4.24Å; K271-L304 HydrophobicContact CG-CD1 4.17Å; L299-L304 HydrophobicContact CD2-CB 3.94Å; L299-L304 HydrophobicContact CD2-CD1 4.34Å; L299-L304 PolarHBondContact O-N 3.38Å; A302-L304 HydrophobicContact CB-CD1 4.18Å; A302-L304 HydrophobicContact CB-CG 4.16Å; A302-L304 PolarHBondContact O-N 2.97Å
305	K	97.9	Very high	98.7	Very high	199 Å²	199	47.6 Å²	47.6	87%	0.865	24%	0.241	S	C	*	.			trans	-127.2	131.2	175.2	-68.1	-174.3	178.3	-177.3	0	109.8
306	A	98.6	Very high	98.7	Very high	26 Å²	26	50.9 Å²	50.9	22%	0.215	26%	0.256	C	S	.	.			trans	-148.8	160	167.9	0	0	0	0	0	108.5	V270 I277 L299	V270-A306 HydrophobicContact CG1-CB 4.48Å; V270-A306 HydrophobicContact CG2-CB 3.52Å; I277-A306 HydrophobicContact CG1-CB 4.07Å; L299-A306 HydrophobicContact CD1-CB 4.14Å
307	H	98.9	Very high	98.7	Very high	42 Å²	42	48 Å²	48	19%	0.194	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	144.7	171.9	-66.8	-64.9	0	0	0	110.4	L81 N82 S275 I276 I277	L81-H307 HydrophobicContact CD1-CB 4.01Å; N82-H307 PolarHBondContact OD1-CE1 2.87Å; N82-H307 PolarHBondContact OD1-NE2 2.72Å; S275-H307 PolarHBondContact O-N 3.11Å; I276-H307 CarbonylContact C-O 3.59Å; I276-H307 VanDerWaalsContact CA-O 3.31Å; I276-H307 WeakPolarHBondContact CA-O 3.43Å; I276-H307 HydrophobicContact CB-CB 4.4Å; I276-H307 HydrophobicContact CG1-CB 4.11Å; I276-H307 HydrophobicContact CG2-CB 4.23Å; I277-H307 PolarHBondContact N-O 3.3Å
308	L	98.9	Very high	98.7	Very high	14 Å²	14	48.1 Å²	48.1	7%	0.073	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138	-178.6	-63.7	179.1	0	0	0	111.9	I277 V292 K296 V357 R358 Y359	I277-L308 HydrophobicContact CD1-CD2 3.64Å; I277-L308 HydrophobicContact CG1-CD2 4.49Å; I277-L308 CarbonylContact O-C 3.59Å; I277-L308 WeakPolarHBondContact O-CA 3.33Å; V292-L308 HydrophobicContact CG1-CB 4.45Å; V292-L308 HydrophobicContact CG1-CD1 4.35Å; K296-L308 HydrophobicContact CB-CD1 3.96Å; K296-L308 HydrophobicContact CB-CD2 4.48Å; K296-L308 HydrophobicContact CD-CD1 3.85Å; K296-L308 HydrophobicContact CG-CD1 3.95Å; L308-V357 HydrophobicContact CB-CG2 4.34Å; L308-V357 WeakPolarHBondContact O-CG1 3.35Å; L308-R358 PolarHBondContact O-N 2.92Å; L308-Y359 PolarHBondContact O-N 3.23Å; L308-Y359 VanDerWaalsContact O-N 3.15Å
309	M	98.9	Very high	98.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.4	-174.7	-179.7	163.3	170.1	0	0	112.2	I221 A246 T248 I276 I277 G278 Q311 Y359	I221-M309 HydrophobicContact CD1-CE 4.33Å; I221-M309 HydrophobicContact CG2-CE 4.39Å; A246-M309 HydrophobicContact CB-SD 3.97Å; T248-M309 HydrophobicContact CG2-CB 4.27Å; T248-M309 HydrophobicContact CG2-CE 3.8Å; T248-M309 HydrophobicContact CG2-CG 3.73Å; T248-M309 HydrophobicContact CG2-SD 3.75Å; I276-M309 HydrophobicContact CG2-CB 3.72Å; I276-M309 HydrophobicContact CG2-CG 4.42Å; I276-M309 HydrophobicContact CG2-SD 3.85Å; I277-M309 WeakPolarHBondContact O-CB 3.35Å; I277-M309 PolarHBondContact O-N 3.35Å; G278-M309 VanDerWaalsContact CA-O 3.24Å; G278-M309 WeakPolarHBondContact CA-O 3.38Å; M309-Q311 HydrophobicContact CE-CG 4.49Å; M309-Y359 VanDerWaalsContact CA-O 3.32Å; M309-Y359 WeakPolarHBondContact CA-O 3.4Å; M309-Y359 HydrophobicContact CB-CG 4.37Å; M309-Y359 HydrophobicContact CE-CD1 3.89Å; M309-Y359 HydrophobicContact CE-CD2 4.33Å; M309-Y359 HydrophobicContact CE-CE1 3.55Å; M309-Y359 HydrophobicContact CE-CE2 4.01Å; M309-Y359 HydrophobicContact CE-CG 4.27Å; M309-Y359 HydrophobicContact CG-CD1 3.65Å; M309-Y359 HydrophobicContact CG-CD2 4.45Å; M309-Y359 HydrophobicContact CG-CE1 4.3Å; M309-Y359 HydrophobicContact CG-CG 3.74Å; M309-Y359 HydrophobicContact SD-CD1 3.95Å; M309-Y359 HydrophobicContact SD-CD2 3.91Å; M309-Y359 HydrophobicContact SD-CE1 4.19Å; M309-Y359 HydrophobicContact SD-CE2 4.14Å; M309-Y359 HydrophobicContact SD-CG 3.81Å
310	S	98.9	Very high	98.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	131.1	173	-167.5	0	0	0	0	111.7	Y348 Y359 G361	S310-Y348 VanDerWaalsContact CB-OH 3.31Å; S310-Y348 WeakPolarHBondContact CB-OH 3.41Å; S310-Y348 PolarHBondContact O-OH 3.31Å; S310-Y348 PolarHBondContact OG-OH 3.22Å; S310-Y359 PolarHBondContact N-O 3.06Å; S310-G361 PolarHBondContact O-N 3.45Å
311	Q	98.9	Very high	98	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	70.3	175	-70.8	-176.6	-86.1	0	0	110.8	V279 N280 C281 M309 Y359 G362 C363	V279-Q311 PolarHBondContact O-N 2.86Å; N280-Q311 CarbonylContact C-O 3.53Å; N280-Q311 WeakPolarHBondContact CA-O 3.26Å; N280-Q311 HydrophobicContact CB-CB 3.88Å; C281-Q311 PolarHBondContact N-O 3.19Å; M309-Q311 HydrophobicContact CE-CG 4.49Å; Q311-Y359 HydrophobicContact CG-CE1 4.24Å; Q311-G362 PolarHBondContact NE2-O 3.37Å; Q311-C363 HydrophobicContact CB-CB 4.48Å; Q311-C363 WeakPolarHBondContact O-CB 3.45Å
312	P	98.9	Very high	97.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.223	C	C	.	.			trans	-66.8	176.2	-175.5	30.8	-38	0	0	0	112.7	P285 S288 Y348 C363 F366	P285-P312 HydrophobicContact CB-CB 4.2Å; P285-P312 HydrophobicContact CB-CG 3.95Å; P285-P312 HydrophobicContact CG-CB 4.1Å; P285-P312 HydrophobicContact CG-CG 3.92Å; S288-P312 WeakPolarHBondContact OG-CB 3.43Å; P312-Y348 WeakPolarHBondContact CD-OH 3.16Å; P312-Y348 HydrophobicContact CG-CD2 4.33Å; P312-Y348 HydrophobicContact CG-CE1 4.04Å; P312-Y348 HydrophobicContact CG-CE2 3.79Å; P312-C363 PolarHBondContact O-N 2.84Å; P312-F366 HydrophobicContact CG-CE2 4.03Å; P312-F366 HydrophobicContact CG-CZ 4.05Å; P312-F366 WeakPolarHBondContact O-CD2 3.23Å; P312-F366 WeakPolarHBondContact O-CE2 3.23Å
313	L	98.9	Very high	97.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.212	C	C	.	.			trans	-65.3	150.1	160.1	-62.4	179	0	0	0	111.2	H282 F283 P285 Y315 T317 F325 C364	H282-L313 WeakPolarHBondContact O-CD1 3.45Å; F283-L313 WeakPolarHBondContact O-CB 3Å; F283-L313 PolarHBondContact O-N 3.04Å; P285-L313 WeakPolarHBondContact CD-O 3.31Å; P285-L313 WeakPolarHBondContact CG-O 3.33Å; L313-Y315 HydrophobicContact CB-CD2 4.24Å; L313-Y315 HydrophobicContact CD2-CD2 4.42Å; L313-Y315 PolarHBondContact O-N 3.45Å; L313-T317 HydrophobicContact CD1-CG2 4.04Å; L313-F325 HydrophobicContact CD1-CB 3.59Å; L313-F325 HydrophobicContact CD1-CD1 3.83Å; L313-F325 HydrophobicContact CD1-CD2 3.65Å; L313-F325 HydrophobicContact CD1-CE1 4.41Å; L313-F325 HydrophobicContact CD1-CE2 4.25Å; L313-F325 HydrophobicContact CD1-CG 3.4Å; L313-F325 VanDerWaalsContact CD1-CG 3.4Å; L313-F325 HydrophobicContact CD2-CD1 4.34Å; L313-F325 HydrophobicContact CD2-CD2 4.27Å; L313-F325 HydrophobicContact CD2-CE1 4.1Å; L313-F325 HydrophobicContact CD2-CE2 4.02Å; L313-F325 HydrophobicContact CD2-CG 4.42Å; L313-F325 HydrophobicContact CD2-CZ 3.93Å; L313-C364 WeakPolarHBondContact CA-O 3.43Å; L313-C364 HydrophobicContact CD2-CB 3.68Å
314	A	98.9	Very high	97.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-91.2	33.3	160.5	0	0	0	0	0	111.2	V339 A340 C364 G365 F366	A314-V339 CarbonylContact O-C 3.55Å; A314-V339 WeakPolarHBondContact O-CA 3.39Å; A314-A340 HydrophobicContact CB-CB 4.22Å; A314-A340 PolarHBondContact O-N 3.11Å; A314-C364 PolarHBondContact N-O 2.9Å; A314-G365 WeakPolarHBondContact CB-O 3.31Å; A314-F366 HydrophobicContact CB-CD2 3.51Å; A314-F366 HydrophobicContact CB-CE2 3.76Å; A314-F366 HydrophobicContact CB-CG 4.07Å
315	Y	98.9	Very high	97.1	Very high	12 Å²	12	31.2 Å²	31.2	5%	0.047	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-121.1	133.5	175.3	-62.4	-74.6	0	0	0	107.9	F95 D284 L313 F325 L335 R338 V339 C364	F95-Y315 HydrophobicContact CD1-CE2 4.2Å; F95-Y315 WeakPolarHBondContact CD1-OH 3.49Å; F95-Y315 HydrophobicContact CE1-CE2 4.24Å; D284-Y315 WeakPolarHBondContact CB-O 3.16Å; L313-Y315 HydrophobicContact CB-CD2 4.24Å; L313-Y315 HydrophobicContact CD2-CD2 4.42Å; L313-Y315 PolarHBondContact O-N 3.45Å; Y315-F325 HydrophobicContact CD2-CD2 4.43Å; Y315-F325 HydrophobicContact CD2-CE2 4.33Å; Y315-F325 HydrophobicContact CE2-CE2 4.46Å; Y315-L335 HydrophobicContact CD1-CB 3.77Å; Y315-L335 WeakPolarHBondContact CD1-O 3.2Å; Y315-L335 HydrophobicContact CE1-CB 3.5Å; Y315-L335 VanDerWaalsContact CE1-CB 3.5Å; Y315-L335 HydrophobicContact CE1-CD1 4.43Å; Y315-L335 HydrophobicContact CE2-CD1 4.34Å; Y315-R338 CarbonylContact C-O 3.35Å; Y315-R338 VanDerWaalsContact CA-O 3.3Å; Y315-R338 WeakPolarHBondContact CA-O 3.42Å; Y315-R338 HydrophobicContact CD1-CB 4.12Å; Y315-V339 HydrophobicContact CD1-CG2 3.92Å; Y315-V339 HydrophobicContact CE1-CG2 3.51Å; Y315-C364 HydrophobicContact CE2-CB 4.42Å
316	H	98.9	Very high	96.8	Very high	69 Å²	69	24.7 Å²	24.7	32%	0.319	13%	0.132	S	C	.	.			trans	-73.1	122.2	170.9	-68.8	-79.2	0	0	0	109.3	P318 R338 D344	H316-P318 VanDerWaalsContact C-CD 3.44Å; H316-R338 PolarHBondContact CD2-O 3.35Å; H316-R338 VanDerWaalsContact CD2-O 3.28Å; H316-R338 PolarHBondContact N-O 3.14Å; H316-R338 PolarHBondContact O-NH1 3.08Å; H316-R338 VanDerWaalsContact O-NH1 3.12Å; H316-D344 IonicContact CE1-OD1 2.69Å; H316-D344 IonicContact CE1-OD2 2.79Å; H316-D344 IonicContact NE2-OD1 3.51Å; H316-D344 IonicContact NE2-OD2 3.3Å; H316-D344 PolarHBondContact NE2-OD2 3.43Å
317	T	98.5	Very high	96.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.			trans	-134.3	52.2	-172.9	66.1	0	0	0	0	112.2	D284 I287 L313 D319 C320 F325 L328	D284-T317 WeakPolarHBondContact CB-OG1 3.44Å; D284-T317 PolarHBondContact N-OG1 3.38Å; D284-T317 PolarHBondContact OD2-N 2.9Å; I287-T317 WeakPolarHBondContact CD1-O 3.16Å; L313-T317 HydrophobicContact CD1-CG2 4.04Å; T317-D319 PolarHBondContact O-N 2.99Å; T317-C320 VanDerWaalsContact CB-SG 3.56Å; T317-C320 PolarHBondContact O-N 3.41Å; T317-F325 HydrophobicContact CG2-CB 4.04Å; T317-L328 HydrophobicContact CG2-CD1 4.07Å
318	P	98.3	Very high	96.3	Very high	85 Å²	85	23.1 Å²	23.1	55%	0.552	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-9	-179.4	32.8	-38.8	0	0	0	113.4	H316 M431	H316-P318 VanDerWaalsContact C-CD 3.44Å; P318-M431 HydrophobicContact CB-SD 4.46Å; P318-M431 HydrophobicContact CG-CG 4.2Å; P318-M431 HydrophobicContact CG-SD 4.14Å
319	D	97.1	Very high	96.1	Very high	18 Å²	18	25.7 Å²	25.7	10%	0.096	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	5.1	-173.8	53.1	-16.2	0	0	0	113.5	T317 R338 M431 S432 P434	T317-D319 PolarHBondContact O-N 2.99Å; D319-R338 IonicContact OD1-CZ 2.68Å; D319-R338 IonicContact OD1-NH1 3.31Å; D319-R338 PolarHBondContact OD1-NH1 2.78Å; D319-R338 IonicContact OD1-NH2 3.99Å; D319-R338 IonicContact OD2-CZ 3.6Å; D319-R338 IonicContact OD2-NH1 2.79Å; D319-R338 PolarHBondContact OD2-NH1 2.93Å; D319-R338 IonicContact OD2-NH2 3.93Å; D319-R338 PolarHBondContact OD2-NH2 3.5Å; D319-M431 HydrophobicContact CB-CB 3.84Å; D319-M431 HydrophobicContact CB-CG 3.96Å; D319-M431 HydrophobicContact CB-SD 4.13Å; D319-M431 VanDerWaalsContact OD2-CA 3.23Å; D319-M431 WeakPolarHBondContact OD2-CA 3.47Å; D319-S432 WeakPolarHBondContact CB-O 3.14Å; D319-S432 PolarHBondContact OD2-N 2.78Å; D319-P434 VanDerWaalsContact O-CD 3.3Å; D319-P434 WeakPolarHBondContact O-CD 3.46Å; D319-P434 WeakPolarHBondContact O-CG 3.29Å
320	C	93.7	Very high	96	Very high	26 Å²	26	27.7 Å²	27.7	18%	0.176	15%	0.148	C	C	.	.			trans	-65.7	144.4	170.7	-87.2	0	0	0	0	112.7	F283 T317 G324 F325	F283-C320 HydrophobicContact CE1-CB 4.49Å; T317-C320 VanDerWaalsContact CB-SG 3.56Å; T317-C320 PolarHBondContact O-N 3.41Å; C320-G324 PolarHBondContact SG-O 2.75Å; C320-G324 VanDerWaalsContact SG-O 3.32Å; C320-F325 WeakPolarHBondContact SG-CA 3.29Å; C320-F325 PolarHBondContact SG-N 2.69Å; C320-F325 VanDerWaalsContact SG-N 3.35Å
321	N	91.6	Very high	95.9	Very high	50 Å²	50	30.5 Å²	30.5	27%	0.267	16%	0.16	S	C	.	.			trans	-84.2	-175	158.9	68.5	18.3	0	0	0	109.3	F283 Q323 G324 D327 P434	F283-N321 WeakPolarHBondContact CE1-O 3.36Å; N321-Q323 PolarHBondContact O-N 3.4Å; N321-Q323 VanDerWaalsContact O-N 3.09Å; N321-Q323 WeakPolarHBondContact OD1-CA 3.41Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.34Å; N321-Q323 PolarHBondContact OD1-N 3.39Å; N321-G324 PolarHBondContact O-N 3.18Å; N321-G324 VanDerWaalsContact O-N 3.08Å; N321-D327 PolarHBondContact ND2-OD2 3.19Å; N321-P434 HydrophobicContact CB-CB 4.39Å; N321-P434 HydrophobicContact CB-CG 4.15Å
322	K	92.5	Very high	95.8	Very high	73 Å²	73	31.5 Å²	31.5	32%	0.317	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-9.4	177.1	73.7	174.4	-166.3	164.5	0	117.1	E254 G324	E254-K322 HydrophobicContact CB-CB 4.17Å; E254-K322 HydrophobicContact CG-CB 4.46Å; K322-G324 VanDerWaalsContact C-N 3.3Å
323	Q	89	Confident	95.8	Very high	36 Å²	36	38.4 Å²	38.4	17%	0.168	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.4	174.9	-48	-67.7	-7.6	0	0	112.1	H282 N321 D327	H282-Q323 PolarHBondContact ND1-O 3.44Å; N321-Q323 PolarHBondContact O-N 3.4Å; N321-Q323 VanDerWaalsContact O-N 3.09Å; N321-Q323 WeakPolarHBondContact OD1-CA 3.41Å; N321-Q323 WeakPolarHBondContact OD1-CB 3.34Å; N321-Q323 PolarHBondContact OD1-N 3.39Å; Q323-D327 HydrophobicContact CB-CB 4.35Å; Q323-D327 VanDerWaalsContact CB-OD2 3.32Å; Q323-D327 WeakPolarHBondContact CB-OD2 3.43Å; Q323-D327 WeakPolarHBondContact CG-OD2 3.42Å
324	G	95.3	Very high	95.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	72.3	-160.9	179.5	0	0	0	0	0	113.7	H282 C320 N321 K322 I326	H282-G324 CarbonylContact O-C 3.52Å; H282-G324 VanDerWaalsContact O-CA 3.29Å; H282-G324 WeakPolarHBondContact O-CA 3.43Å; C320-G324 PolarHBondContact SG-O 2.75Å; C320-G324 VanDerWaalsContact SG-O 3.32Å; N321-G324 PolarHBondContact O-N 3.18Å; N321-G324 VanDerWaalsContact O-N 3.08Å; K322-G324 VanDerWaalsContact C-N 3.3Å; G324-I326 VanDerWaalsContact C-N 3.26Å; G324-I326 PolarHBondContact O-N 3.48Å
325	F	96.6	Very high	95.7	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.013	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-71.1	-10.1	-168	85.9	-44.1	0	0	0	116.2	F95 H282 L313 Y315 T317 C320 D327 L328 F331 L335 C364	F95-F325 HydrophobicContact CE1-CE2 4.44Å; F95-F325 HydrophobicContact CE2-CZ 4.41Å; F95-F325 HydrophobicContact CZ-CE2 4.02Å; F95-F325 HydrophobicContact CZ-CZ 4.06Å; H282-F325 PolarHBondContact O-N 2.91Å; L313-F325 HydrophobicContact CD1-CB 3.59Å; L313-F325 HydrophobicContact CD1-CD1 3.83Å; L313-F325 HydrophobicContact CD1-CD2 3.65Å; L313-F325 HydrophobicContact CD1-CE1 4.41Å; L313-F325 HydrophobicContact CD1-CE2 4.25Å; L313-F325 HydrophobicContact CD1-CG 3.4Å; L313-F325 VanDerWaalsContact CD1-CG 3.4Å; L313-F325 HydrophobicContact CD2-CD1 4.34Å; L313-F325 HydrophobicContact CD2-CD2 4.27Å; L313-F325 HydrophobicContact CD2-CE1 4.1Å; L313-F325 HydrophobicContact CD2-CE2 4.02Å; L313-F325 HydrophobicContact CD2-CG 4.42Å; L313-F325 HydrophobicContact CD2-CZ 3.93Å; Y315-F325 HydrophobicContact CD2-CD2 4.43Å; Y315-F325 HydrophobicContact CD2-CE2 4.33Å; Y315-F325 HydrophobicContact CE2-CE2 4.46Å; T317-F325 HydrophobicContact CG2-CB 4.04Å; C320-F325 WeakPolarHBondContact SG-CA 3.29Å; C320-F325 PolarHBondContact SG-N 2.69Å; C320-F325 VanDerWaalsContact SG-N 3.35Å; F325-D327 VanDerWaalsContact C-N 3.32Å; F325-L328 HydrophobicContact CB-CD1 4.13Å; F325-L328 WeakPolarHBondContact O-CB 3.49Å; F325-L328 PolarHBondContact O-N 2.86Å; F325-F331 AromaticContact CD2-CD2 4Å; F325-F331 HydrophobicContact CD2-CD2 4Å; F325-F331 HydrophobicContact CE1-CD2 4.3Å; F325-F331 HydrophobicContact CE1-CE2 4.02Å; F325-F331 AromaticContact CE2-CD2 3.74Å; F325-F331 HydrophobicContact CE2-CD2 3.74Å; F325-F331 AromaticContact CE2-CE2 3.86Å; F325-F331 HydrophobicContact CE2-CE2 3.86Å; F325-F331 HydrophobicContact CG-CD2 4.4Å; F325-F331 AromaticContact CZ-CD2 3.91Å; F325-F331 HydrophobicContact CZ-CD2 3.91Å; F325-F331 AromaticContact CZ-CE2 3.59Å; F325-F331 HydrophobicContact CZ-CE2 3.59Å; F325-F331 WeakPolarHBondContact O-CB 3.39Å; F325-L335 HydrophobicContact CD2-CD1 3.84Å; F325-L335 HydrophobicContact CE2-CD1 3.81Å; F325-C364 HydrophobicContact CE2-CB 4.48Å; F325-C364 HydrophobicContact CZ-CB 4.18Å
326	I	93.5	Very high	95.7	Very high	61 Å²	61	44.4 Å²	44.4	31%	0.313	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-71.2	-32.8	-178.6	-62.2	-175.6	0	0	0	110.9	Y224 H282 G324 L328 F331	Y224-I326 WeakPolarHBondContact OH-CD1 3.38Å; H282-I326 WeakPolarHBondContact NE2-CD1 3.34Å; G324-I326 VanDerWaalsContact C-N 3.26Å; G324-I326 PolarHBondContact O-N 3.48Å; I326-L328 VanDerWaalsContact C-N 3.26Å; I326-L328 PolarHBondContact O-N 2.82Å; I326-F331 HydrophobicContact CG1-CD2 4.31Å; I326-F331 HydrophobicContact CG1-CE1 4.49Å; I326-F331 HydrophobicContact CG1-CE2 3.98Å; I326-F331 HydrophobicContact CG1-CZ 4.09Å; I326-F331 HydrophobicContact CG2-CD1 4.13Å; I326-F331 HydrophobicContact CG2-CE1 4.01Å; I326-F331 HydrophobicContact CG2-CZ 4.41Å
327	D	91.9	Very high	95.7	Very high	33 Å²	33	44.2 Å²	44.2	18%	0.176	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-76.1	-8	173.9	-86.1	9.9	0	0	0	112.7	N321 Q323 F325 P434 D435	N321-D327 PolarHBondContact ND2-OD2 3.19Å; Q323-D327 HydrophobicContact CB-CB 4.35Å; Q323-D327 VanDerWaalsContact CB-OD2 3.32Å; Q323-D327 WeakPolarHBondContact CB-OD2 3.43Å; Q323-D327 WeakPolarHBondContact CG-OD2 3.42Å; F325-D327 VanDerWaalsContact C-N 3.32Å; D327-P434 HydrophobicContact CB-CB 3.95Å; D327-P434 CarbonylContact O-C 3.51Å; D327-P434 VanDerWaalsContact O-CA 3.24Å; D327-P434 WeakPolarHBondContact O-CA 3.26Å; D327-D435 WeakPolarHBondContact CB-O 3.49Å; D327-D435 PolarHBondContact O-N 3.03Å
328	L	94.8	Very high	95.7	Very high	3 Å²	3	45 Å²	45	2%	0.016	24%	0.241	C	C	.	.	S	Bend	trans	-71.6	133.9	176.4	-69.9	177.6	0	0	0	110.4	T317 F325 I326 E330 F331 P434	T317-L328 HydrophobicContact CG2-CD1 4.07Å; F325-L328 HydrophobicContact CB-CD1 4.13Å; F325-L328 WeakPolarHBondContact O-CB 3.49Å; F325-L328 PolarHBondContact O-N 2.86Å; I326-L328 VanDerWaalsContact C-N 3.26Å; I326-L328 PolarHBondContact O-N 2.82Å; L328-E330 PolarHBondContact O-N 3.18Å; L328-F331 WeakPolarHBondContact O-CB 3.43Å; L328-F331 PolarHBondContact O-N 3.28Å; L328-P434 HydrophobicContact CD2-CG 4.15Å
329	P	94.4	Very high	95.7	Very high	68 Å²	68	43.3 Å²	43.3	44%	0.442	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.7	-179.3	-27.5	35.7	0	0	0	115	K433	P329-K433 VanDerWaalsContact CD-O 3.25Å; P329-K433 WeakPolarHBondContact CD-O 3.34Å; P329-K433 WeakPolarHBondContact CG-O 3.49Å
330	E	97.4	Very high	95.8	Very high	41 Å²	41	42.6 Å²	42.6	19%	0.192	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.7	175.8	-58.3	95.6	148.4	0	0	114.2	L328 P332 F333 G334 L335 R338 S432	L328-E330 PolarHBondContact O-N 3.18Å; E330-P332 CarbonylContact O-C 3.48Å; E330-F333 PolarHBondContact O-N 3.12Å; E330-F333 VanDerWaalsContact O-N 3.12Å; E330-G334 WeakPolarHBondContact O-CA 3.45Å; E330-G334 PolarHBondContact O-N 3.38Å; E330-L335 HydrophobicContact CB-CD2 3.89Å; E330-L335 HydrophobicContact CB-CG 4.47Å; E330-R338 VanDerWaalsContact CD-NH2 3.32Å; E330-R338 IonicContact OE1-CZ 3.42Å; E330-R338 IonicContact OE1-NE 2.68Å; E330-R338 IonicContact OE1-NH2 3.4Å; E330-R338 PolarHBondContact OE1-NH2 3.27Å; E330-R338 IonicContact OE2-CZ 3.61Å; E330-R338 IonicContact OE2-NE 3.88Å; E330-R338 IonicContact OE2-NH2 2.67Å; E330-R338 PolarHBondContact OE2-NH2 2.9Å; E330-S432 WeakPolarHBondContact OE1-CB 3.48Å; E330-S432 PolarHBondContact OE1-OG 2.98Å
331	F	96.3	Very high	96.1	Very high	59 Å²	59	42.9 Å²	42.9	26%	0.259	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	135.6	-178.1	176.3	-89.9	0	0	0	112.2	F95 F325 I326 L328 L335	F95-F331 AromaticContact CZ-CE2 4Å; F95-F331 HydrophobicContact CZ-CE2 4Å; F325-F331 AromaticContact CD2-CD2 4Å; F325-F331 HydrophobicContact CD2-CD2 4Å; F325-F331 HydrophobicContact CE1-CD2 4.3Å; F325-F331 HydrophobicContact CE1-CE2 4.02Å; F325-F331 AromaticContact CE2-CD2 3.74Å; F325-F331 HydrophobicContact CE2-CD2 3.74Å; F325-F331 AromaticContact CE2-CE2 3.86Å; F325-F331 HydrophobicContact CE2-CE2 3.86Å; F325-F331 HydrophobicContact CG-CD2 4.4Å; F325-F331 AromaticContact CZ-CD2 3.91Å; F325-F331 HydrophobicContact CZ-CD2 3.91Å; F325-F331 AromaticContact CZ-CE2 3.59Å; F325-F331 HydrophobicContact CZ-CE2 3.59Å; F325-F331 WeakPolarHBondContact O-CB 3.39Å; I326-F331 HydrophobicContact CG1-CD2 4.31Å; I326-F331 HydrophobicContact CG1-CE1 4.49Å; I326-F331 HydrophobicContact CG1-CE2 3.98Å; I326-F331 HydrophobicContact CG1-CZ 4.09Å; I326-F331 HydrophobicContact CG2-CD1 4.13Å; I326-F331 HydrophobicContact CG2-CE1 4.01Å; I326-F331 HydrophobicContact CG2-CZ 4.41Å; L328-F331 WeakPolarHBondContact O-CB 3.43Å; L328-F331 PolarHBondContact O-N 3.28Å; F331-L335 HydrophobicContact CD2-CD1 4.24Å
332	P	97	Very high	96.4	Very high	25 Å²	25	44.4 Å²	44.4	16%	0.162	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.4	-9.6	-14.3	35.6	-33.8	0	0	0	113.5	F95 W108 E330	F95-P332 HydrophobicContact CE1-CB 4.46Å; F95-P332 HydrophobicContact CZ-CB 4.24Å; W108-P332 HydrophobicContact CH2-CB 4.21Å; W108-P332 HydrophobicContact CZ2-CB 3.92Å; W108-P332 HydrophobicContact CZ2-CG 4.05Å; E330-P332 CarbonylContact O-C 3.48Å
333	F	98	Very high	96.7	Very high	145 Å²	145	42.4 Å²	42.4	64%	0.636	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	8.4	-160.6	-57	-61.8	0	0	0	116.6	A105 E330	A105-F333 HydrophobicContact CB-CE1 3.57Å; A105-F333 HydrophobicContact CB-CZ 3.47Å; A105-F333 VanDerWaalsContact CB-CZ 3.47Å; E330-F333 PolarHBondContact O-N 3.12Å; E330-F333 VanDerWaalsContact O-N 3.12Å
334	G	97.8	Very high	97.2	Very high	25 Å²	25	43 Å²	43	26%	0.258	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	13.3	177.5	0	0	0	0	0	113.8	E330 E336 P337	E330-G334 WeakPolarHBondContact O-CA 3.45Å; E330-G334 PolarHBondContact O-N 3.38Å; G334-E336 VanDerWaalsContact C-N 3.29Å; G334-E336 WeakPolarHBondContact CA-OE2 3.33Å; G334-E336 PolarHBondContact O-N 2.98Å; G334-P337 WeakPolarHBondContact O-CD 3.47Å
335	L	98.6	Very high	97.4	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.223	C	C	.	.			trans	-79.8	-3.7	-171.7	-63	173	0	0	0	113.8	F95 Y315 F325 E330 F331 R338	F95-L335 HydrophobicContact CE1-CD1 4.17Å; Y315-L335 HydrophobicContact CD1-CB 3.77Å; Y315-L335 WeakPolarHBondContact CD1-O 3.2Å; Y315-L335 HydrophobicContact CE1-CB 3.5Å; Y315-L335 VanDerWaalsContact CE1-CB 3.5Å; Y315-L335 HydrophobicContact CE1-CD1 4.43Å; Y315-L335 HydrophobicContact CE2-CD1 4.34Å; F325-L335 HydrophobicContact CD2-CD1 3.84Å; F325-L335 HydrophobicContact CE2-CD1 3.81Å; E330-L335 HydrophobicContact CB-CD2 3.89Å; E330-L335 HydrophobicContact CB-CG 4.47Å; F331-L335 HydrophobicContact CD2-CD1 4.24Å; L335-R338 WeakPolarHBondContact O-CB 3.37Å; L335-R338 PolarHBondContact O-N 2.99Å
336	E	98.8	Very high	97.5	Very high	112 Å²	112	43.3 Å²	43.3	52%	0.523	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-54.1	-39	-180	-59.5	71.9	-156.1	0	0	115.3	G334 R338 V339	G334-E336 VanDerWaalsContact C-N 3.29Å; G334-E336 WeakPolarHBondContact CA-OE2 3.33Å; G334-E336 PolarHBondContact O-N 2.98Å; E336-R338 PolarHBondContact O-N 3.49Å; E336-V339 PolarHBondContact O-N 3.03Å
337	P	98.7	Very high	97.7	Very high	64 Å²	64	45.6 Å²	45.6	42%	0.416	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-64.9	-21.4	177.5	-5.5	16.8	0	0	0	113	G334	G334-P337 WeakPolarHBondContact O-CD 3.47Å
338	R	98.8	Very high	98.1	Very high	17 Å²	17	44.2 Å²	44.2	6%	0.064	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-91.4	-11	-173.2	-61.4	170.8	176.6	-89	4.5	112.5	Y315 H316 D319 E330 L335 E336 A340	Y315-R338 CarbonylContact C-O 3.35Å; Y315-R338 VanDerWaalsContact CA-O 3.3Å; Y315-R338 WeakPolarHBondContact CA-O 3.42Å; Y315-R338 HydrophobicContact CD1-CB 4.12Å; H316-R338 PolarHBondContact CD2-O 3.35Å; H316-R338 VanDerWaalsContact CD2-O 3.28Å; H316-R338 PolarHBondContact N-O 3.14Å; H316-R338 PolarHBondContact O-NH1 3.08Å; H316-R338 VanDerWaalsContact O-NH1 3.12Å; D319-R338 IonicContact OD1-CZ 2.68Å; D319-R338 IonicContact OD1-NH1 3.31Å; D319-R338 PolarHBondContact OD1-NH1 2.78Å; D319-R338 IonicContact OD1-NH2 3.99Å; D319-R338 IonicContact OD2-CZ 3.6Å; D319-R338 IonicContact OD2-NH1 2.79Å; D319-R338 PolarHBondContact OD2-NH1 2.93Å; D319-R338 IonicContact OD2-NH2 3.93Å; D319-R338 PolarHBondContact OD2-NH2 3.5Å; E330-R338 VanDerWaalsContact CD-NH2 3.32Å; E330-R338 IonicContact OE1-CZ 3.42Å; E330-R338 IonicContact OE1-NE 2.68Å; E330-R338 IonicContact OE1-NH2 3.4Å; E330-R338 PolarHBondContact OE1-NH2 3.27Å; E330-R338 IonicContact OE2-CZ 3.61Å; E330-R338 IonicContact OE2-NE 3.88Å; E330-R338 IonicContact OE2-NH2 2.67Å; E330-R338 PolarHBondContact OE2-NH2 2.9Å; L335-R338 WeakPolarHBondContact O-CB 3.37Å; L335-R338 PolarHBondContact O-N 2.99Å; E336-R338 PolarHBondContact O-N 3.49Å; R338-A340 PolarHBondContact O-N 2.95Å
339	V	98.9	Very high	98.3	Very high	50 Å²	50	44.1 Å²	44.1	30%	0.303	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-58.9	125.5	-174.7	178.7	0	0	0	0	111	A314 Y315 E336	A314-V339 CarbonylContact O-C 3.55Å; A314-V339 WeakPolarHBondContact O-CA 3.39Å; Y315-V339 HydrophobicContact CD1-CG2 3.92Å; Y315-V339 HydrophobicContact CE1-CG2 3.51Å; E336-V339 PolarHBondContact O-N 3.03Å
340	A	98.9	Very high	98.5	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.025	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-60.3	149.5	177.1	0	0	0	0	0	111.6	A314 R338 D344 I345 Y369 H370	A314-A340 HydrophobicContact CB-CB 4.22Å; A314-A340 PolarHBondContact O-N 3.11Å; R338-A340 PolarHBondContact O-N 2.95Å; A340-D344 HydrophobicContact CB-CB 4.15Å; A340-I345 HydrophobicContact CB-CD1 3.83Å; A340-I345 HydrophobicContact CB-CG1 4.21Å; A340-Y369 PolarHBondContact O-OH 2.74Å; A340-H370 PolarHBondContact O-NE2 3.08Å
341	T	98.9	Very high	98.6	Very high	32 Å²	32	45.3 Å²	45.3	20%	0.196	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-86.4	165.2	168.5	68.8	0	0	0	0	110.7	W343 D344 I345 I421	T341-W343 PolarHBondContact O-N 3.32Å; T341-W343 PolarHBondContact OG1-N 3.23Å; T341-D344 WeakPolarHBondContact CB-OD2 3.26Å; T341-D344 PolarHBondContact N-OD2 3.44Å; T341-D344 PolarHBondContact O-N 3.31Å; T341-D344 VanDerWaalsContact OG1-CG 3.26Å; T341-D344 PolarHBondContact OG1-N 3.35Å; T341-D344 PolarHBondContact OG1-OD2 3.38Å; T341-I345 WeakPolarHBondContact O-CG1 3.31Å; T341-I345 PolarHBondContact O-N 3.24Å; T341-I345 VanDerWaalsContact O-N 3.16Å; T341-I421 HydrophobicContact CG2-CD1 3.66Å
342	R	98.9	Very high	98.7	Very high	81 Å²	81	42.5 Å²	42.5	31%	0.306	21%	0.209	S	C	.	.	H	α-helix	trans	-57.5	-29.7	170.2	70.2	-169.1	65.4	168	6.2	112.6	I345 Q346 Y369 A373 H392	R342-I345 PolarHBondContact O-N 3.1Å; R342-Q346 WeakPolarHBondContact O-CG 3.38Å; R342-Q346 PolarHBondContact O-N 2.95Å; R342-Y369 HydrophobicContact CB-CD2 4.04Å; R342-Y369 HydrophobicContact CB-CE2 4.22Å; R342-A373 HydrophobicContact CB-CB 4.03Å; R342-A373 WeakPolarHBondContact O-CB 3.35Å; R342-H392 PolarHBondContact NH1-CD2 3.35Å; R342-H392 PolarHBondContact NH1-NE2 2.83Å
343	W	98.9	Very high	98.8	Very high	31 Å²	31	44 Å²	44	12%	0.117	21%	0.212	C	C	.	.	H	α-helix	trans	-73.5	-39.3	-179.9	-41.2	123.9	0	0	0	111.6	T341 I345 Q346 K347 W395 W416	T341-W343 PolarHBondContact O-N 3.32Å; T341-W343 PolarHBondContact OG1-N 3.23Å; W343-I345 VanDerWaalsContact C-N 3.27Å; W343-I345 PolarHBondContact O-N 3.4Å; W343-Q346 VanDerWaalsContact CE3-OE1 3.28Å; W343-Q346 PolarHBondContact O-N 3.21Å; W343-K347 PolarHBondContact O-N 3.04Å; W343-W395 HydrophobicContact CB-CZ3 4.27Å; W343-W395 HydrophobicContact CD2-CE3 4.15Å; W343-W395 HydrophobicContact CD2-CZ3 4.06Å; W343-W395 HydrophobicContact CE3-CD2 4.05Å; W343-W395 AromaticContact CE3-CE3 3.45Å; W343-W395 HydrophobicContact CE3-CE3 3.45Å; W343-W395 VanDerWaalsContact CE3-CE3 3.45Å; W343-W395 HydrophobicContact CE3-CH2 4.21Å; W343-W395 AromaticContact CE3-CZ3 3.57Å; W343-W395 HydrophobicContact CE3-CZ3 3.57Å; W343-W395 HydrophobicContact CG-CZ3 4.37Å; W343-W395 AromaticContact CZ3-CD2 3.96Å; W343-W395 HydrophobicContact CZ3-CD2 3.96Å; W343-W395 AromaticContact CZ3-CE3 3.71Å; W343-W395 HydrophobicContact CZ3-CE3 3.71Å; W343-W395 HydrophobicContact CZ3-CG 4.35Å; W343-W395 HydrophobicContact CZ3-CZ3 4.29Å; W343-W416 HydrophobicContact CD2-CB 3.78Å; W343-W416 HydrophobicContact CD2-CG 4.26Å; W343-W416 AromaticContact CE2-CD2 3.84Å; W343-W416 AromaticContact CE2-CG 3.56Å; W343-W416 HydrophobicContact CE3-CB 4.45Å; W343-W416 HydrophobicContact CG-CB 3.95Å; W343-W416 HydrophobicContact CH2-CG 4.49Å; W343-W416 HydrophobicContact CZ2-CB 4.12Å; W343-W416 AromaticContact CZ2-CD1 3.79Å; W343-W416 AromaticContact CZ2-CD2 3.98Å; W343-W416 HydrophobicContact CZ2-CD2 3.98Å; W343-W416 AromaticContact CZ2-CG 3.68Å; W343-W416 HydrophobicContact CZ2-CG 3.68Å; W343-W416 AromaticContact NE1-CD2 3.47Å; W343-W416 AromaticContact NE1-CE3 3.39Å; W343-W416 AromaticContact NE1-CG 3.58Å
344	D	98.9	Very high	98.8	Very high	48 Å²	48	42.3 Å²	42.3	26%	0.257	21%	0.209	S	C	.	.	H	α-helix	trans	-59.7	-40.5	171	-59.1	-54.7	0	0	0	111	H316 A340 T341 K347 Y348	H316-D344 IonicContact CE1-OD1 2.69Å; H316-D344 IonicContact CE1-OD2 2.79Å; H316-D344 IonicContact NE2-OD1 3.51Å; H316-D344 IonicContact NE2-OD2 3.3Å; H316-D344 PolarHBondContact NE2-OD2 3.43Å; A340-D344 HydrophobicContact CB-CB 4.15Å; T341-D344 WeakPolarHBondContact CB-OD2 3.26Å; T341-D344 PolarHBondContact N-OD2 3.44Å; T341-D344 PolarHBondContact O-N 3.31Å; T341-D344 VanDerWaalsContact OG1-CG 3.26Å; T341-D344 PolarHBondContact OG1-N 3.35Å; T341-D344 PolarHBondContact OG1-OD2 3.38Å; D344-K347 WeakPolarHBondContact O-CB 3.15Å; D344-K347 PolarHBondContact O-N 3.2Å; D344-Y348 WeakPolarHBondContact O-CB 3.48Å; D344-Y348 PolarHBondContact O-N 3.47Å
345	I	98.9	Very high	98.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-73.2	-33.5	178.3	-57.3	-51.2	0	0	0	112.7	P285 A340 T341 R342 W343 Y348 A349 F366 H370 A373 I374	P285-I345 HydrophobicContact CG-CD1 4.35Å; A340-I345 HydrophobicContact CB-CD1 3.83Å; A340-I345 HydrophobicContact CB-CG1 4.21Å; T341-I345 WeakPolarHBondContact O-CG1 3.31Å; T341-I345 PolarHBondContact O-N 3.24Å; T341-I345 VanDerWaalsContact O-N 3.16Å; R342-I345 PolarHBondContact O-N 3.1Å; W343-I345 VanDerWaalsContact C-N 3.27Å; W343-I345 PolarHBondContact O-N 3.4Å; I345-Y348 HydrophobicContact CG2-CD1 4.36Å; I345-Y348 PolarHBondContact O-N 3Å; I345-A349 WeakPolarHBondContact O-CB 3.38Å; I345-A349 PolarHBondContact O-N 2.93Å; I345-F366 HydrophobicContact CD1-CE1 3.89Å; I345-F366 HydrophobicContact CD1-CE2 4.37Å; I345-F366 HydrophobicContact CD1-CZ 3.59Å; I345-F366 HydrophobicContact CG1-CE1 4.29Å; I345-F366 HydrophobicContact CG1-CZ 4.47Å; I345-F366 HydrophobicContact CG2-CE1 3.94Å; I345-H370 HydrophobicContact CG1-CB 4.11Å; I345-H370 HydrophobicContact CG2-CB 4.45Å; I345-H370 WeakPolarHBondContact CG2-O 2.81Å; I345-A373 HydrophobicContact CB-CB 4Å; I345-A373 HydrophobicContact CG2-CB 3.94Å; I345-I374 HydrophobicContact CG2-CD1 4.36Å; I345-I374 HydrophobicContact CG2-CG1 3.59Å
346	Q	98.9	Very high	98.9	Very high	11 Å²	11	43.9 Å²	43.9	5%	0.051	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-46.5	169.5	-70.6	-163.4	-69.3	0	0	111	R342 W343 Y348 A349 R350 A373 E377 W395	R342-Q346 WeakPolarHBondContact O-CG 3.38Å; R342-Q346 PolarHBondContact O-N 2.95Å; W343-Q346 VanDerWaalsContact CE3-OE1 3.28Å; W343-Q346 PolarHBondContact O-N 3.21Å; Q346-Y348 PolarHBondContact O-N 2.98Å; Q346-A349 PolarHBondContact O-N 2.92Å; Q346-R350 PolarHBondContact O-N 3.3Å; Q346-A373 HydrophobicContact CG-CB 3.99Å; Q346-E377 HydrophobicContact CB-CB 4.06Å; Q346-E377 HydrophobicContact CB-CG 4.38Å; Q346-E377 HydrophobicContact CG-CB 4.04Å; Q346-E377 WeakPolarHBondContact O-CG 3.49Å; Q346-W395 HydrophobicContact CB-CZ2 4.37Å; Q346-W395 VanDerWaalsContact OE1-CE2 3.28Å; Q346-W395 VanDerWaalsContact OE1-CZ2 3.3Å
347	K	98.9	Very high	98.9	Very high	109 Å²	109	38.6 Å²	38.6	47%	0.474	19%	0.193	S	C	.	.	H	α-helix	trans	-54.5	-52	173.9	179.4	-166.6	164.9	-164.1	0	111.2	W343 D344 A349 R350 E351	W343-K347 PolarHBondContact O-N 3.04Å; D344-K347 WeakPolarHBondContact O-CB 3.15Å; D344-K347 PolarHBondContact O-N 3.2Å; K347-A349 PolarHBondContact O-N 3.3Å; K347-R350 PolarHBondContact O-N 3.39Å; K347-E351 VanDerWaalsContact CE-CD 3.48Å; K347-E351 WeakPolarHBondContact CE-OE1 3.23Å; K347-E351 IonicContact NZ-OE1 3.62Å; K347-E351 WeakPolarHBondContact O-CG 3.44Å; K347-E351 PolarHBondContact O-N 3.15Å
348	Y	98.9	Very high	98.9	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-55.6	-48.4	176.3	155.4	-108.7	0	0	0	112.5	P285 L289 S310 P312 D344 I345 Q346 R350 E351 A352 I360 G361 F366 I374	P285-Y348 HydrophobicContact CB-CD2 3.55Å; P285-Y348 HydrophobicContact CB-CE2 4.33Å; P285-Y348 HydrophobicContact CB-CG 3.68Å; P285-Y348 HydrophobicContact CG-CG 4.49Å; L289-Y348 HydrophobicContact CD1-CD2 3.77Å; L289-Y348 HydrophobicContact CD1-CE2 4.16Å; L289-Y348 HydrophobicContact CD2-CD2 4.44Å; L289-Y348 HydrophobicContact CD2-CE2 3.98Å; L289-Y348 HydrophobicContact CG-CD2 4.04Å; L289-Y348 HydrophobicContact CG-CE2 4.02Å; S310-Y348 VanDerWaalsContact CB-OH 3.31Å; S310-Y348 WeakPolarHBondContact CB-OH 3.41Å; S310-Y348 PolarHBondContact O-OH 3.31Å; S310-Y348 PolarHBondContact OG-OH 3.22Å; P312-Y348 WeakPolarHBondContact CD-OH 3.16Å; P312-Y348 HydrophobicContact CG-CD2 4.33Å; P312-Y348 HydrophobicContact CG-CE1 4.04Å; P312-Y348 HydrophobicContact CG-CE2 3.79Å; D344-Y348 WeakPolarHBondContact O-CB 3.48Å; D344-Y348 PolarHBondContact O-N 3.47Å; I345-Y348 HydrophobicContact CG2-CD1 4.36Å; I345-Y348 PolarHBondContact O-N 3Å; Q346-Y348 PolarHBondContact O-N 2.98Å; Y348-R350 VanDerWaalsContact C-N 3.3Å; Y348-R350 PolarHBondContact O-N 2.9Å; Y348-E351 PolarHBondContact O-N 3.16Å; Y348-A352 HydrophobicContact CD2-CB 4.42Å; Y348-A352 HydrophobicContact CE2-CB 4.06Å; Y348-A352 VanDerWaalsContact O-CB 3.26Å; Y348-A352 WeakPolarHBondContact O-CB 3.2Å; Y348-A352 PolarHBondContact O-N 3.34Å; Y348-I360 HydrophobicContact CE1-CG2 3.74Å; Y348-G361 PolarHBondContact OH-O 2.93Å; Y348-F366 HydrophobicContact CE1-CZ 4.47Å; Y348-I374 HydrophobicContact CE1-CD1 4.39Å
349	A	98.9	Very high	98.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-39.6	-178	0	0	0	0	0	112	I345 Q346 K347 Y353 I374 E377 L378	I345-A349 WeakPolarHBondContact O-CB 3.38Å; I345-A349 PolarHBondContact O-N 2.93Å; Q346-A349 PolarHBondContact O-N 2.92Å; K347-A349 PolarHBondContact O-N 3.3Å; A349-Y353 WeakPolarHBondContact O-CB 3.34Å; A349-Y353 PolarHBondContact O-N 3.34Å; A349-I374 HydrophobicContact CB-CB 4.21Å; A349-I374 HydrophobicContact CB-CG1 4.3Å; A349-I374 HydrophobicContact CB-CG2 3.97Å; A349-E377 HydrophobicContact CB-CB 4.21Å; A349-E377 HydrophobicContact CB-CG 4.26Å; A349-L378 HydrophobicContact CB-CD1 4.19Å; A349-L378 HydrophobicContact CB-CG 4.31Å
350	R	98.9	Very high	98.9	Very high	57 Å²	57	35 Å²	35	22%	0.215	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-46.3	174.4	-177.7	52.7	57.8	-173.5	-3.6	112	Q346 K347 Y348 Y353 N354 E377 E381	Q346-R350 PolarHBondContact O-N 3.3Å; K347-R350 PolarHBondContact O-N 3.39Å; Y348-R350 VanDerWaalsContact C-N 3.3Å; Y348-R350 PolarHBondContact O-N 2.9Å; R350-Y353 PolarHBondContact O-N 2.94Å; R350-N354 WeakPolarHBondContact O-CB 3.47Å; R350-N354 PolarHBondContact O-N 3.47Å; R350-N354 PolarHBondContact O-ND2 2.87Å; R350-N354 PolarHBondContact O-OD1 3.36Å; R350-E377 HydrophobicContact CB-CG 3.98Å; R350-E377 IonicContact CZ-OE1 3.6Å; R350-E377 IonicContact NE-OE1 3.51Å; R350-E377 PolarHBondContact NE-OE1 3.48Å; R350-E377 PolarHBondContact NH2-O 2.8Å; R350-E377 IonicContact NH2-OE1 2.61Å; R350-E377 PolarHBondContact NH2-OE1 2.99Å; R350-E377 VanDerWaalsContact NH2-OE1 3.11Å; R350-E381 IonicContact CZ-OE1 3.02Å; R350-E381 IonicContact CZ-OE2 2.73Å; R350-E381 IonicContact NH1-OE1 3.76Å; R350-E381 PolarHBondContact NH1-OE1 2.93Å; R350-E381 IonicContact NH1-OE2 3.96Å; R350-E381 IonicContact NH2-OE1 3.79Å; R350-E381 PolarHBondContact NH2-OE1 3.43Å; R350-E381 VanDerWaalsContact NH2-OE1 3.13Å; R350-E381 IonicContact NH2-OE2 3.37Å; R350-E381 PolarHBondContact NH2-OE2 2.69Å
351	E	98.9	Very high	98.9	Very high	77 Å²	77	34.9 Å²	34.9	36%	0.36	17%	0.165	S	C	.	.	H	α-helix	trans	-63.4	-43.3	178	-72.3	174.7	172.2	0	0	111.7	L289 K347 Y348 N354 L355	L289-E351 HydrophobicContact CD1-CB 3.64Å; K347-E351 VanDerWaalsContact CE-CD 3.48Å; K347-E351 WeakPolarHBondContact CE-OE1 3.23Å; K347-E351 IonicContact NZ-OE1 3.62Å; K347-E351 WeakPolarHBondContact O-CG 3.44Å; K347-E351 PolarHBondContact O-N 3.15Å; Y348-E351 PolarHBondContact O-N 3.16Å; E351-N354 PolarHBondContact O-N 2.91Å; E351-L355 WeakPolarHBondContact O-CB 3.17Å; E351-L355 PolarHBondContact O-N 3.28Å
352	A	98.9	Very high	98.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.9	-49.6	175.5	0	0	0	0	0	111.7	L289 Y348 N354 L355 G356 V357 I360	L289-A352 HydrophobicContact CD1-CB 4.12Å; L289-A352 HydrophobicContact CD2-CB 3.76Å; Y348-A352 HydrophobicContact CD2-CB 4.42Å; Y348-A352 HydrophobicContact CE2-CB 4.06Å; Y348-A352 VanDerWaalsContact O-CB 3.26Å; Y348-A352 WeakPolarHBondContact O-CB 3.2Å; Y348-A352 PolarHBondContact O-N 3.34Å; A352-N354 VanDerWaalsContact C-N 3.34Å; A352-N354 PolarHBondContact O-N 3.42Å; A352-L355 PolarHBondContact O-N 3.05Å; A352-G356 PolarHBondContact O-N 3.29Å; A352-V357 HydrophobicContact CB-CB 4.03Å; A352-V357 HydrophobicContact CB-CG2 4.15Å; A352-V357 VanDerWaalsContact O-CB 3.24Å; A352-V357 WeakPolarHBondContact O-CB 3.45Å; A352-V357 VanDerWaalsContact O-CG2 3.32Å; A352-V357 WeakPolarHBondContact O-CG2 3.38Å; A352-V357 PolarHBondContact O-N 2.98Å; A352-I360 HydrophobicContact CB-CD1 3.98Å; A352-I360 HydrophobicContact CB-CG1 4.19Å; A352-I360 HydrophobicContact CB-CG2 4.31Å
353	Y	98.9	Very high	98.9	Very high	58 Å²	58	30.6 Å²	30.6	23%	0.227	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-44.6	177.8	176.2	-97.7	0	0	0	112	I86 A349 R350 L355 G356 R358 L378 E381	I86-Y353 HydrophobicContact CD1-CD2 3.47Å; I86-Y353 VanDerWaalsContact CD1-CD2 3.47Å; I86-Y353 HydrophobicContact CD1-CE2 3.47Å; I86-Y353 VanDerWaalsContact CD1-CE2 3.47Å; I86-Y353 HydrophobicContact CG1-CD2 4.11Å; I86-Y353 HydrophobicContact CG1-CE2 4.01Å; A349-Y353 WeakPolarHBondContact O-CB 3.34Å; A349-Y353 PolarHBondContact O-N 3.34Å; R350-Y353 PolarHBondContact O-N 2.94Å; Y353-L355 PolarHBondContact O-N 3.49Å; Y353-G356 PolarHBondContact O-N 3.48Å; Y353-G356 VanDerWaalsContact O-N 3.12Å; Y353-R358 VanDerWaalsContact CD2-NH1 3.31Å; Y353-R358 VanDerWaalsContact CE2-NH2 3.33Å; Y353-R358 PolarHBondContact O-NH1 3.3Å; Y353-L378 HydrophobicContact CD2-CD2 4.39Å; Y353-L378 HydrophobicContact CG-CD2 3.95Å; Y353-E381 HydrophobicContact CE1-CG 3.86Å; Y353-E381 HydrophobicContact CE2-CB 4.48Å; Y353-E381 HydrophobicContact CE2-CG 4.19Å
354	N	98.9	Very high	98.9	Very high	108 Å²	108	29.6 Å²	29.6	58%	0.578	15%	0.146	S	C	*	.	H	α-helix	trans	-65.5	-34.5	178.4	-70.4	-9.4	0	0	0	112.6	R350 E351 A352 G356	R350-N354 WeakPolarHBondContact O-CB 3.47Å; R350-N354 PolarHBondContact O-N 3.47Å; R350-N354 PolarHBondContact O-ND2 2.87Å; R350-N354 PolarHBondContact O-OD1 3.36Å; E351-N354 PolarHBondContact O-N 2.91Å; A352-N354 VanDerWaalsContact C-N 3.34Å; A352-N354 PolarHBondContact O-N 3.42Å; N354-G356 PolarHBondContact O-N 3.26Å
355	L	98.8	Very high	98.8	Very high	33 Å²	33	27.5 Å²	27.5	17%	0.173	14%	0.136	C	C	.	.	H	α-helix	trans	-67.5	-22.1	174	-179.1	61.5	0	0	0	112.6	L289 V292 K293 K296 E351 A352 Y353 V357	L289-L355 HydrophobicContact CB-CD2 4.4Å; L289-L355 HydrophobicContact CD2-CD2 4.2Å; L289-L355 WeakPolarHBondContact O-CD2 3.37Å; V292-L355 HydrophobicContact CB-CD2 4.13Å; V292-L355 HydrophobicContact CG1-CD2 3.93Å; K293-L355 HydrophobicContact CB-CD1 3.97Å; K293-L355 HydrophobicContact CB-CD2 4.22Å; K293-L355 HydrophobicContact CG-CD1 4.06Å; K296-L355 HydrophobicContact CD-CD1 4.45Å; K296-L355 PolarHBondContact NZ-O 3.41Å; E351-L355 WeakPolarHBondContact O-CB 3.17Å; E351-L355 PolarHBondContact O-N 3.28Å; A352-L355 PolarHBondContact O-N 3.05Å; Y353-L355 PolarHBondContact O-N 3.49Å; L355-V357 HydrophobicContact CD2-CG2 4.4Å
356	G	98.8	Very high	98.8	Very high	27 Å²	27	27.5 Å²	27.5	28%	0.278	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	109	8.3	-177.6	0	0	0	0	0	114.3	A352 Y353 N354	A352-G356 PolarHBondContact O-N 3.29Å; Y353-G356 PolarHBondContact O-N 3.48Å; Y353-G356 VanDerWaalsContact O-N 3.12Å; N354-G356 PolarHBondContact O-N 3.26Å
357	V	98.9	Very high	98.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.2	173.8	-170	0	0	0	0	109.4	L289 V292 L308 A352 L355 Y359 I360	L289-V357 HydrophobicContact CD2-CG2 4.24Å; V292-V357 HydrophobicContact CG1-CG2 3.89Å; L308-V357 HydrophobicContact CB-CG2 4.34Å; L308-V357 WeakPolarHBondContact O-CG1 3.35Å; A352-V357 HydrophobicContact CB-CB 4.03Å; A352-V357 HydrophobicContact CB-CG2 4.15Å; A352-V357 VanDerWaalsContact O-CB 3.24Å; A352-V357 WeakPolarHBondContact O-CB 3.45Å; A352-V357 VanDerWaalsContact O-CG2 3.32Å; A352-V357 WeakPolarHBondContact O-CG2 3.38Å; A352-V357 PolarHBondContact O-N 2.98Å; L355-V357 HydrophobicContact CD2-CG2 4.4Å; V357-Y359 WeakPolarHBondContact CG1-O 3.46Å; V357-I360 HydrophobicContact CB-CD1 4.47Å; V357-I360 HydrophobicContact CB-CG1 4.08Å; V357-I360 HydrophobicContact CG1-CG1 3.65Å
358	R	98.9	Very high	98.8	Very high	56 Å²	56	24.5 Å²	24.5	21%	0.211	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	-15.5	-179.8	-67.4	-64.8	176.9	-88.2	5.6	114.1	L81 V87 L308 Y353	L81-R358 HydrophobicContact CD2-CB 3.72Å; V87-R358 PolarHBondContact N-O 3.15Å; L308-R358 PolarHBondContact O-N 2.92Å; Y353-R358 VanDerWaalsContact CD2-NH1 3.31Å; Y353-R358 VanDerWaalsContact CE2-NH2 3.33Å; Y353-R358 PolarHBondContact O-NH1 3.3Å
359	Y	98.9	Very high	98.8	Very high	1 Å²	1	28 Å²	28	0%	0.004	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	107.1	158.1	-169.4	-56.3	0	0	0	108.5	I77 V87 V134 F219 L308 M309 S310 Q311 V357	I77-Y359 HydrophobicContact CD1-CD2 4.4Å; V87-Y359 HydrophobicContact CB-CD2 4.4Å; V87-Y359 HydrophobicContact CG1-CD2 3.88Å; V87-Y359 HydrophobicContact CG1-CE2 4.13Å; V87-Y359 HydrophobicContact CG1-CG 4.35Å; V87-Y359 WeakPolarHBondContact O-CA 3.4Å; V134-Y359 WeakPolarHBondContact CG1-OH 3.46Å; V134-Y359 HydrophobicContact CG2-CE2 3.83Å; F219-Y359 HydrophobicContact CE2-CE2 4.23Å; F219-Y359 AromaticContact CZ-CE2 3.94Å; F219-Y359 HydrophobicContact CZ-CE2 3.94Å; L308-Y359 PolarHBondContact O-N 3.23Å; L308-Y359 VanDerWaalsContact O-N 3.15Å; M309-Y359 VanDerWaalsContact CA-O 3.32Å; M309-Y359 WeakPolarHBondContact CA-O 3.4Å; M309-Y359 HydrophobicContact CB-CG 4.37Å; M309-Y359 HydrophobicContact CE-CD1 3.89Å; M309-Y359 HydrophobicContact CE-CD2 4.33Å; M309-Y359 HydrophobicContact CE-CE1 3.55Å; M309-Y359 HydrophobicContact CE-CE2 4.01Å; M309-Y359 HydrophobicContact CE-CG 4.27Å; M309-Y359 HydrophobicContact CG-CD1 3.65Å; M309-Y359 HydrophobicContact CG-CD2 4.45Å; M309-Y359 HydrophobicContact CG-CE1 4.3Å; M309-Y359 HydrophobicContact CG-CG 3.74Å; M309-Y359 HydrophobicContact SD-CD1 3.95Å; M309-Y359 HydrophobicContact SD-CD2 3.91Å; M309-Y359 HydrophobicContact SD-CE1 4.19Å; M309-Y359 HydrophobicContact SD-CE2 4.14Å; M309-Y359 HydrophobicContact SD-CG 3.81Å; S310-Y359 PolarHBondContact N-O 3.06Å; Q311-Y359 HydrophobicContact CG-CE1 4.24Å; V357-Y359 WeakPolarHBondContact CG1-O 3.46Å
360	I	98.9	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	111.9	-176.8	-54.6	169.6	0	0	0	108.3	I86 V87 I88 G89 Y348 A352 V357 I374 L378	I86-I360 HydrophobicContact CG2-CD1 4.28Å; V87-I360 PolarHBondContact O-N 2.97Å; I88-I360 WeakPolarHBondContact CA-O 3.32Å; G89-I360 PolarHBondContact N-O 3.07Å; Y348-I360 HydrophobicContact CE1-CG2 3.74Å; A352-I360 HydrophobicContact CB-CD1 3.98Å; A352-I360 HydrophobicContact CB-CG1 4.19Å; A352-I360 HydrophobicContact CB-CG2 4.31Å; V357-I360 HydrophobicContact CB-CD1 4.47Å; V357-I360 HydrophobicContact CB-CG1 4.08Å; V357-I360 HydrophobicContact CG1-CG1 3.65Å; I360-I374 HydrophobicContact CB-CG2 4.1Å; I360-I374 HydrophobicContact CG2-CD1 4.28Å; I360-I374 HydrophobicContact CG2-CG2 3.68Å; I360-L378 HydrophobicContact CD1-CD1 3.61Å
361	G	98.8	Very high	98.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.			trans	-140.5	-149.4	177.6	0	0	0	0	0	111	S310 Y348	S310-G361 PolarHBondContact O-N 3.45Å; Y348-G361 PolarHBondContact OH-O 2.93Å
362	G	98.6	Very high	98.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.01	12%	0.116	C	C	.	.			trans	-156.3	170.4	173.7	0	0	0	0	0	114	D90 Q311	D90-G362 PolarHBondContact O-N 2.7Å; D90-G362 VanDerWaalsContact O-N 3.15Å; D90-G362 VanDerWaalsContact O-O 3.12Å; Q311-G362 PolarHBondContact NE2-O 3.37Å
363	C	98.4	Very high	98.8	Very high	21 Å²	21	22.7 Å²	22.7	14%	0.142	12%	0.116	C	C	.	.			trans	-122.2	-139.4	-178.6	-165.2	0	0	0	0	110.3	G92 C281 Q311 P312 G365 F366	G92-C363 WeakPolarHBondContact CA-O 3.2Å; G92-C363 PolarHBondContact N-O 3.28Å; G92-C363 VanDerWaalsContact N-O 3.16Å; C281-C363 HydrophobicContact CB-CB 4.26Å; C281-C363 VanDerWaalsContact CB-SG 3.55Å; Q311-C363 HydrophobicContact CB-CB 4.48Å; Q311-C363 WeakPolarHBondContact O-CB 3.45Å; P312-C363 PolarHBondContact O-N 2.84Å; C363-G365 PolarHBondContact O-N 3.48Å; C363-F366 VanDerWaalsContact O-CB 3.32Å; C363-F366 WeakPolarHBondContact O-CB 3.46Å; C363-F366 PolarHBondContact O-N 2.95Å
364	C	98.4	Very high	98.8	Very high	10 Å²	10	19.9 Å²	19.9	7%	0.068	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	131.9	-174.1	-60.9	0	0	0	0	112.7	F95 L313 A314 Y315 F325	F95-C364 HydrophobicContact CD1-CB 4.43Å; F95-C364 HydrophobicContact CD2-CB 3.71Å; F95-C364 VanDerWaalsContact CD2-SG 3.51Å; F95-C364 HydrophobicContact CE2-CB 3.95Å; F95-C364 HydrophobicContact CG-CB 3.97Å; F95-C364 HydrophobicContact CZ-CB 4.4Å; L313-C364 WeakPolarHBondContact CA-O 3.43Å; L313-C364 HydrophobicContact CD2-CB 3.68Å; A314-C364 PolarHBondContact N-O 2.9Å; Y315-C364 HydrophobicContact CE2-CB 4.42Å; F325-C364 HydrophobicContact CE2-CB 4.48Å; F325-C364 HydrophobicContact CZ-CB 4.18Å
365	G	98.4	Very high	98.8	Very high	4 Å²	4	14.8 Å²	14.8	4%	0.041	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-14.8	-173.3	0	0	0	0	0	115.5	A314 C363 E367 H370	A314-G365 WeakPolarHBondContact CB-O 3.31Å; C363-G365 PolarHBondContact O-N 3.48Å; G365-E367 PolarHBondContact O-N 2.81Å; G365-H370 PolarHBondContact O-ND1 2.87Å
366	F	98.9	Very high	98.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.			trans	-71	104.5	175.4	-86.4	-104.2	0	0	0	111.5	G92 F127 P312 A314 I345 Y348 C363 H370 I371 I374	G92-F366 PolarHBondContact N-O 2.73Å; F127-F366 WeakPolarHBondContact CZ-O 2.86Å; P312-F366 HydrophobicContact CG-CE2 4.03Å; P312-F366 HydrophobicContact CG-CZ 4.05Å; P312-F366 WeakPolarHBondContact O-CD2 3.23Å; P312-F366 WeakPolarHBondContact O-CE2 3.23Å; A314-F366 HydrophobicContact CB-CD2 3.51Å; A314-F366 HydrophobicContact CB-CE2 3.76Å; A314-F366 HydrophobicContact CB-CG 4.07Å; I345-F366 HydrophobicContact CD1-CE1 3.89Å; I345-F366 HydrophobicContact CD1-CE2 4.37Å; I345-F366 HydrophobicContact CD1-CZ 3.59Å; I345-F366 HydrophobicContact CG1-CE1 4.29Å; I345-F366 HydrophobicContact CG1-CZ 4.47Å; I345-F366 HydrophobicContact CG2-CE1 3.94Å; Y348-F366 HydrophobicContact CE1-CZ 4.47Å; C363-F366 VanDerWaalsContact O-CB 3.32Å; C363-F366 WeakPolarHBondContact O-CB 3.46Å; C363-F366 PolarHBondContact O-N 2.95Å; F366-H370 HydrophobicContact CB-CB 4.45Å; F366-H370 HydrophobicContact CD1-CB 3.38Å; F366-H370 HydrophobicContact CE1-CB 3.88Å; F366-H370 HydrophobicContact CG-CB 4.13Å; F366-I371 HydrophobicContact CB-CD1 4.45Å; F366-I371 HydrophobicContact CD1-CD1 3.71Å; F366-I371 HydrophobicContact CE1-CD1 4.43Å; F366-I371 HydrophobicContact CG-CD1 4.47Å; F366-I374 HydrophobicContact CE1-CD1 4.1Å
367	E	98.9	Very high	98.8	Very high	34 Å²	34	14.2 Å²	14.2	16%	0.159	7%	0.067	C	C	.	.			trans	-87.5	165.3	168.9	-64.5	-62.1	155.1	0	0	110.9	K99 R100 G365 Y369 H370 I371	K99-E367 WeakPolarHBondContact CE-OE1 3.12Å; K99-E367 IonicContact NZ-OE1 3.42Å; K99-E367 PolarHBondContact NZ-OE1 3.23Å; R100-E367 IonicContact NH2-OE2 3.95Å; G365-E367 PolarHBondContact O-N 2.81Å; E367-Y369 HydrophobicContact CB-CD1 3.91Å; E367-Y369 HydrophobicContact CB-CE1 3.95Å; E367-Y369 HydrophobicContact CG-CE1 4.49Å; E367-Y369 PolarHBondContact O-N 3.08Å; E367-H370 PolarHBondContact N-ND1 3.49Å; E367-H370 WeakPolarHBondContact O-CB 2.97Å; E367-H370 PolarHBondContact O-N 3.2Å; E367-I371 PolarHBondContact O-N 3.37Å
368	P	98.9	Very high	98.8	Very high	24 Å²	24	14.2 Å²	14.2	16%	0.156	7%	0.067	C	C	.	.	H	α-helix	trans	-53.9	-30.8	-177.4	-29.6	35.6	0	0	0	115.1	L123 E126 F127 A130 H370 I371 R372	L123-P368 HydrophobicContact CD1-CG 4.33Å; E126-P368 HydrophobicContact CB-CB 3.95Å; E126-P368 HydrophobicContact CB-CG 3.52Å; E126-P368 HydrophobicContact CG-CG 4.44Å; F127-P368 HydrophobicContact CD1-CB 4.36Å; F127-P368 HydrophobicContact CD1-CG 4.2Å; F127-P368 HydrophobicContact CE1-CG 4.08Å; A130-P368 HydrophobicContact CB-CB 4.4Å; A130-P368 WeakPolarHBondContact CB-O 3.49Å; P368-H370 VanDerWaalsContact C-N 3.31Å; P368-H370 PolarHBondContact O-N 3.42Å; P368-I371 PolarHBondContact O-N 2.9Å; P368-R372 PolarHBondContact O-N 2.87Å
369	Y	98.9	Very high	98.8	Very high	76 Å²	76	12.2 Å²	12.2	30%	0.298	6%	0.063	S	C	.	.	H	α-helix	trans	-73.7	-20.3	177.5	82	-94.2	0	0	0	113.8	A340 R342 E367 A373	A340-Y369 PolarHBondContact O-OH 2.74Å; R342-Y369 HydrophobicContact CB-CD2 4.04Å; R342-Y369 HydrophobicContact CB-CE2 4.22Å; E367-Y369 HydrophobicContact CB-CD1 3.91Å; E367-Y369 HydrophobicContact CB-CE1 3.95Å; E367-Y369 HydrophobicContact CG-CE1 4.49Å; E367-Y369 PolarHBondContact O-N 3.08Å; Y369-A373 PolarHBondContact O-N 3.36Å; Y369-A373 VanDerWaalsContact O-N 3.17Å
370	H	98.9	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-72.5	-44.7	170.7	-64.7	148.2	0	0	0	110.5	A340 I345 G365 F366 E367 P368 R372 A373 I374	A340-H370 PolarHBondContact O-NE2 3.08Å; I345-H370 HydrophobicContact CG1-CB 4.11Å; I345-H370 HydrophobicContact CG2-CB 4.45Å; I345-H370 WeakPolarHBondContact CG2-O 2.81Å; G365-H370 PolarHBondContact O-ND1 2.87Å; F366-H370 HydrophobicContact CB-CB 4.45Å; F366-H370 HydrophobicContact CD1-CB 3.38Å; F366-H370 HydrophobicContact CE1-CB 3.88Å; F366-H370 HydrophobicContact CG-CB 4.13Å; E367-H370 PolarHBondContact N-ND1 3.49Å; E367-H370 WeakPolarHBondContact O-CB 2.97Å; E367-H370 PolarHBondContact O-N 3.2Å; P368-H370 VanDerWaalsContact C-N 3.31Å; P368-H370 PolarHBondContact O-N 3.42Å; H370-R372 VanDerWaalsContact C-N 3.3Å; H370-R372 PolarHBondContact O-N 2.99Å; H370-A373 WeakPolarHBondContact O-CA 3.24Å; H370-A373 VanDerWaalsContact O-CB 3.29Å; H370-A373 WeakPolarHBondContact O-CB 3.41Å; H370-A373 PolarHBondContact O-N 3.13Å; H370-I374 PolarHBondContact O-N 2.99Å
371	I	98.9	Very high	98.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-39.8	174.8	-57.3	-51.2	0	0	0	111.3	I88 D90 F127 A130 F366 E367 P368 A373 I374 A375	I88-I371 HydrophobicContact CG2-CG2 3.74Å; D90-I371 VanDerWaalsContact O-CD1 3.24Å; D90-I371 WeakPolarHBondContact O-CD1 3.44Å; F127-I371 HydrophobicContact CD1-CB 4.3Å; F127-I371 HydrophobicContact CD1-CG1 3.62Å; F127-I371 HydrophobicContact CE1-CG1 3.83Å; A130-I371 HydrophobicContact CB-CB 3.98Å; A130-I371 HydrophobicContact CB-CG2 4.02Å; F366-I371 HydrophobicContact CB-CD1 4.45Å; F366-I371 HydrophobicContact CD1-CD1 3.71Å; F366-I371 HydrophobicContact CE1-CD1 4.43Å; F366-I371 HydrophobicContact CG-CD1 4.47Å; E367-I371 PolarHBondContact O-N 3.37Å; P368-I371 PolarHBondContact O-N 2.9Å; I371-A373 VanDerWaalsContact C-N 3.27Å; I371-A373 PolarHBondContact O-N 3.48Å; I371-I374 HydrophobicContact CD1-CD1 4.05Å; I371-I374 PolarHBondContact O-N 3.31Å; I371-A375 PolarHBondContact O-N 2.63Å; I371-A375 VanDerWaalsContact O-N 3.11Å
372	R	98.9	Very high	98.8	Very high	23 Å²	23	22.2 Å²	22.2	9%	0.087	12%	0.116	C	C	.	.	H	α-helix	trans	-60.2	-36.7	172.1	-164.7	-163.6	66	-138.2	-12.5	112.1	A130 P368 H370 A375 E376 P386 A388 H392	A130-R372 HydrophobicContact CB-CB 4.2Å; A130-R372 WeakPolarHBondContact O-CA 3.26Å; P368-R372 PolarHBondContact O-N 2.87Å; H370-R372 VanDerWaalsContact C-N 3.3Å; H370-R372 PolarHBondContact O-N 2.99Å; R372-A375 CarbonylContact O-C 3.54Å; R372-A375 PolarHBondContact O-N 3.1Å; R372-E376 WeakPolarHBondContact CD-OE1 3.49Å; R372-E376 HydrophobicContact CG-CG 4.05Å; R372-E376 IonicContact CZ-OE2 3.45Å; R372-E376 VanDerWaalsContact NE-CD 3.3Å; R372-E376 IonicContact NE-OE1 3.49Å; R372-E376 PolarHBondContact NE-OE1 3.14Å; R372-E376 IonicContact NE-OE2 3.87Å; R372-E376 PolarHBondContact NE-OE2 2.89Å; R372-E376 IonicContact NH2-OE2 3.28Å; R372-E376 WeakPolarHBondContact O-CB 2.83Å; R372-E376 VanDerWaalsContact O-CG 3.27Å; R372-E376 WeakPolarHBondContact O-CG 2.95Å; R372-E376 PolarHBondContact O-N 3.22Å; R372-P386 HydrophobicContact CG-CG 3.84Å; R372-A388 HydrophobicContact CG-CB 3.97Å; R372-H392 PolarHBondContact NE-ND1 2.97Å; R372-H392 PolarHBondContact NH2-CD2 3.08Å; R372-H392 VanDerWaalsContact NH2-CD2 3.31Å; R372-H392 PolarHBondContact NH2-CE1 3.21Å; R372-H392 PolarHBondContact NH2-ND1 3.21Å; R372-H392 PolarHBondContact NH2-NE2 3Å; R372-H392 VanDerWaalsContact NH2-NE2 3.2Å
373	A	98.9	Very high	98.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64	-41.2	178.1	0	0	0	0	0	112.4	R342 I345 Q346 Y369 H370 I371 A375 E376 E377	R342-A373 HydrophobicContact CB-CB 4.03Å; R342-A373 WeakPolarHBondContact O-CB 3.35Å; I345-A373 HydrophobicContact CB-CB 4Å; I345-A373 HydrophobicContact CG2-CB 3.94Å; Q346-A373 HydrophobicContact CG-CB 3.99Å; Y369-A373 PolarHBondContact O-N 3.36Å; Y369-A373 VanDerWaalsContact O-N 3.17Å; H370-A373 WeakPolarHBondContact O-CA 3.24Å; H370-A373 VanDerWaalsContact O-CB 3.29Å; H370-A373 WeakPolarHBondContact O-CB 3.41Å; H370-A373 PolarHBondContact O-N 3.13Å; I371-A373 VanDerWaalsContact C-N 3.27Å; I371-A373 PolarHBondContact O-N 3.48Å; A373-A375 VanDerWaalsContact C-N 3.33Å; A373-A375 PolarHBondContact O-N 3.36Å; A373-E376 PolarHBondContact O-N 3.33Å; A373-E377 WeakPolarHBondContact O-CB 3.36Å; A373-E377 PolarHBondContact O-N 3.42Å
374	I	98.9	Very high	98.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.8	-49.1	171.6	-56	170.3	0	0	0	109.9	I88 I345 Y348 A349 I360 F366 H370 I371 E376 E377 L378	I88-I374 HydrophobicContact CD1-CG2 4.11Å; I88-I374 HydrophobicContact CG1-CG2 4.28Å; I88-I374 HydrophobicContact CG2-CG2 4.41Å; I345-I374 HydrophobicContact CG2-CD1 4.36Å; I345-I374 HydrophobicContact CG2-CG1 3.59Å; Y348-I374 HydrophobicContact CE1-CD1 4.39Å; A349-I374 HydrophobicContact CB-CB 4.21Å; A349-I374 HydrophobicContact CB-CG1 4.3Å; A349-I374 HydrophobicContact CB-CG2 3.97Å; I360-I374 HydrophobicContact CB-CG2 4.1Å; I360-I374 HydrophobicContact CG2-CD1 4.28Å; I360-I374 HydrophobicContact CG2-CG2 3.68Å; F366-I374 HydrophobicContact CE1-CD1 4.1Å; H370-I374 PolarHBondContact O-N 2.99Å; I371-I374 HydrophobicContact CD1-CD1 4.05Å; I371-I374 PolarHBondContact O-N 3.31Å; I374-E376 PolarHBondContact O-N 3.02Å; I374-E377 PolarHBondContact O-N 3.16Å; I374-L378 HydrophobicContact CG2-CD1 4.1Å; I374-L378 PolarHBondContact O-N 3.17Å; I374-L378 VanDerWaalsContact O-N 3.15Å
375	A	98.9	Very high	98.8	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.2	-32.2	-178	0	0	0	0	0	113.9	I88 I371 R372 A373 A379 P386	I88-A375 HydrophobicContact CD1-CB 3.48Å; I88-A375 VanDerWaalsContact CD1-CB 3.48Å; I371-A375 PolarHBondContact O-N 2.63Å; I371-A375 VanDerWaalsContact O-N 3.11Å; R372-A375 CarbonylContact O-C 3.54Å; R372-A375 PolarHBondContact O-N 3.1Å; A373-A375 VanDerWaalsContact C-N 3.33Å; A373-A375 PolarHBondContact O-N 3.36Å; A375-A379 WeakPolarHBondContact O-CB 3.36Å; A375-A379 PolarHBondContact O-N 3.21Å; A375-A379 VanDerWaalsContact O-N 3.14Å; A375-P386 HydrophobicContact CB-CB 4.07Å; A375-P386 HydrophobicContact CB-CG 3.7Å
376	E	98.9	Very high	98.8	Very high	26 Å²	26	34 Å²	34	12%	0.121	19%	0.187	C	C	.	.	H	α-helix	trans	-77.2	-38.7	177.4	-76.6	176	148.1	0	0	112.5	R372 A373 I374 A379 L385 S389 H392	R372-E376 WeakPolarHBondContact CD-OE1 3.49Å; R372-E376 HydrophobicContact CG-CG 4.05Å; R372-E376 IonicContact CZ-OE2 3.45Å; R372-E376 VanDerWaalsContact NE-CD 3.3Å; R372-E376 IonicContact NE-OE1 3.49Å; R372-E376 PolarHBondContact NE-OE1 3.14Å; R372-E376 IonicContact NE-OE2 3.87Å; R372-E376 PolarHBondContact NE-OE2 2.89Å; R372-E376 IonicContact NH2-OE2 3.28Å; R372-E376 WeakPolarHBondContact O-CB 2.83Å; R372-E376 VanDerWaalsContact O-CG 3.27Å; R372-E376 WeakPolarHBondContact O-CG 2.95Å; R372-E376 PolarHBondContact O-N 3.22Å; A373-E376 PolarHBondContact O-N 3.33Å; I374-E376 PolarHBondContact O-N 3.02Å; E376-A379 WeakPolarHBondContact O-CB 3.25Å; E376-L385 HydrophobicContact CG-CD2 4.02Å; E376-S389 VanDerWaalsContact CD-OG 3.27Å; E376-S389 WeakPolarHBondContact CG-OG 3.35Å; E376-S389 WeakPolarHBondContact OE1-CB 3.29Å; E376-S389 PolarHBondContact OE1-OG 3.26Å; E376-H392 IonicContact OE1-CE1 2.64Å; E376-H392 IonicContact OE1-CG 2.69Å; E376-H392 IonicContact OE1-ND1 3.48Å; E376-H392 PolarHBondContact OE1-ND1 2.89Å; E376-H392 IonicContact OE2-CE1 3.74Å; E376-H392 PolarHBondContact OE2-CE1 3.44Å; E376-H392 VanDerWaalsContact OE2-CE1 3.3Å; E376-H392 IonicContact OE2-ND1 3.88Å; E376-H392 PolarHBondContact OE2-ND1 2.98Å
377	E	98.9	Very high	98.8	Very high	22 Å²	22	37.5 Å²	37.5	10%	0.103	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-40	174.9	177.9	59	-148.5	0	0	112.2	Q346 A349 R350 A373 I374 P380	Q346-E377 HydrophobicContact CB-CB 4.06Å; Q346-E377 HydrophobicContact CB-CG 4.38Å; Q346-E377 HydrophobicContact CG-CB 4.04Å; Q346-E377 WeakPolarHBondContact O-CG 3.49Å; A349-E377 HydrophobicContact CB-CB 4.21Å; A349-E377 HydrophobicContact CB-CG 4.26Å; R350-E377 HydrophobicContact CB-CG 3.98Å; R350-E377 IonicContact CZ-OE1 3.6Å; R350-E377 IonicContact NE-OE1 3.51Å; R350-E377 PolarHBondContact NE-OE1 3.48Å; R350-E377 PolarHBondContact NH2-O 2.8Å; R350-E377 IonicContact NH2-OE1 2.61Å; R350-E377 PolarHBondContact NH2-OE1 2.99Å; R350-E377 VanDerWaalsContact NH2-OE1 3.11Å; A373-E377 WeakPolarHBondContact O-CB 3.36Å; A373-E377 PolarHBondContact O-N 3.42Å; I374-E377 PolarHBondContact O-N 3.16Å; E377-P380 WeakPolarHBondContact O-CD 3.41Å
378	L	98.9	Very high	98.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	11.5	-176.3	-55.9	176.5	0	0	0	112.8	I86 A349 Y353 I360 I374 P380 E381 R382	I86-L378 HydrophobicContact CD1-CB 4.03Å; I86-L378 HydrophobicContact CD1-CD1 4.19Å; I86-L378 HydrophobicContact CD1-CG 4.48Å; I86-L378 HydrophobicContact CG2-CD1 3.97Å; A349-L378 HydrophobicContact CB-CD1 4.19Å; A349-L378 HydrophobicContact CB-CG 4.31Å; Y353-L378 HydrophobicContact CD2-CD2 4.39Å; Y353-L378 HydrophobicContact CG-CD2 3.95Å; I360-L378 HydrophobicContact CD1-CD1 3.61Å; I374-L378 HydrophobicContact CG2-CD1 4.1Å; I374-L378 PolarHBondContact O-N 3.17Å; I374-L378 VanDerWaalsContact O-N 3.15Å; L378-P380 VanDerWaalsContact C-CD 3.46Å; L378-E381 WeakPolarHBondContact CA-OE2 3.35Å; L378-E381 PolarHBondContact O-N 3.17Å; L378-R382 WeakPolarHBondContact O-CB 3.33Å; L378-R382 VanDerWaalsContact O-CG 3.27Å; L378-R382 WeakPolarHBondContact O-CG 3.3Å; L378-R382 PolarHBondContact O-N 2.77Å
379	A	98.8	Very high	98.8	Very high	15 Å²	15	36.2 Å²	36.2	12%	0.124	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-37.7	174	0	0	0	0	0	113.7	A375 E376 E381 R382 G383 F384 L385	A375-A379 WeakPolarHBondContact O-CB 3.36Å; A375-A379 PolarHBondContact O-N 3.21Å; A375-A379 VanDerWaalsContact O-N 3.14Å; E376-A379 WeakPolarHBondContact O-CB 3.25Å; A379-E381 PolarHBondContact O-N 2.96Å; A379-R382 PolarHBondContact O-N 3.32Å; A379-G383 WeakPolarHBondContact O-CA 3.45Å; A379-G383 PolarHBondContact O-N 3.26Å; A379-F384 WeakPolarHBondContact CA-O 3.36Å; A379-F384 WeakPolarHBondContact CB-O 3.43Å; A379-F384 PolarHBondContact O-N 2.99Å; A379-L385 HydrophobicContact CB-CD2 3.63Å; A379-L385 HydrophobicContact CB-CG 4.12Å
380	P	98.7	Very high	98.8	Very high	102 Å²	102	38 Å²	38	66%	0.662	22%	0.218	S	C	*	.	H	α-helix	trans	-61.5	-41.3	174.5	-23	35.3	0	0	0	112.6	E377 L378	E377-P380 WeakPolarHBondContact O-CD 3.41Å; L378-P380 VanDerWaalsContact C-CD 3.46Å
381	E	98.8	Very high	98.8	Very high	74 Å²	74	45.6 Å²	45.6	35%	0.346	25%	0.25	S	S	.	.	H	α-helix	trans	-73.5	-34.2	178.7	-69.2	71.1	-161.7	0	0	113.1	I86 R350 Y353 L378 A379	I86-E381 HydrophobicContact CD1-CB 3.8Å; R350-E381 IonicContact CZ-OE1 3.02Å; R350-E381 IonicContact CZ-OE2 2.73Å; R350-E381 IonicContact NH1-OE1 3.76Å; R350-E381 PolarHBondContact NH1-OE1 2.93Å; R350-E381 IonicContact NH1-OE2 3.96Å; R350-E381 IonicContact NH2-OE1 3.79Å; R350-E381 PolarHBondContact NH2-OE1 3.43Å; R350-E381 VanDerWaalsContact NH2-OE1 3.13Å; R350-E381 IonicContact NH2-OE2 3.37Å; R350-E381 PolarHBondContact NH2-OE2 2.69Å; Y353-E381 HydrophobicContact CE1-CG 3.86Å; Y353-E381 HydrophobicContact CE2-CB 4.48Å; Y353-E381 HydrophobicContact CE2-CG 4.19Å; L378-E381 WeakPolarHBondContact CA-OE2 3.35Å; L378-E381 PolarHBondContact O-N 3.17Å; A379-E381 PolarHBondContact O-N 2.96Å
382	R	98.4	Very high	98.8	Very high	34 Å²	34	47.8 Å²	47.8	13%	0.128	26%	0.261	C	S	.	.	H	α-helix	trans	-84.4	-21.3	179.5	-66.5	169.8	85.2	-136.1	14.3	113.1	I86 G131 N133 L378 A379 F384	I86-R382 HydrophobicContact CB-CG 4.02Å; I86-R382 HydrophobicContact CD1-CG 4.04Å; I86-R382 HydrophobicContact CG1-CG 4.33Å; I86-R382 PolarHBondContact O-NE 3.47Å; G131-R382 PolarHBondContact O-NH2 2.79Å; N133-R382 PolarHBondContact OD1-NH2 3.46Å; L378-R382 WeakPolarHBondContact O-CB 3.33Å; L378-R382 VanDerWaalsContact O-CG 3.27Å; L378-R382 WeakPolarHBondContact O-CG 3.3Å; L378-R382 PolarHBondContact O-N 2.77Å; A379-R382 PolarHBondContact O-N 3.32Å; R382-F384 VanDerWaalsContact C-N 3.35Å; R382-F384 HydrophobicContact CB-CD1 4.13Å; R382-F384 HydrophobicContact CB-CE1 3.89Å; R382-F384 HydrophobicContact CB-CZ 4.39Å; R382-F384 WeakPolarHBondContact O-CD1 3.05Å
383	G	98.6	Very high	98.6	Very high	68 Å²	68	47.4 Å²	47.4	70%	0.701	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	8.2	-177.4	0	0	0	0	0	115.2	A379	A379-G383 WeakPolarHBondContact O-CA 3.45Å; A379-G383 PolarHBondContact O-N 3.26Å
384	F	98.6	Very high	98.6	Very high	105 Å²	105	51.8 Å²	51.8	46%	0.461	29%	0.294	S	S	.	.	S	Bend	trans	-154.1	156	178.9	64.7	-87.8	0	0	0	113	A379 R382	A379-F384 WeakPolarHBondContact CA-O 3.36Å; A379-F384 WeakPolarHBondContact CB-O 3.43Å; A379-F384 PolarHBondContact O-N 2.99Å; R382-F384 VanDerWaalsContact C-N 3.35Å; R382-F384 HydrophobicContact CB-CD1 4.13Å; R382-F384 HydrophobicContact CB-CE1 3.89Å; R382-F384 HydrophobicContact CB-CZ 4.39Å; R382-F384 WeakPolarHBondContact O-CD1 3.05Å
385	L	98.8	Very high	98.6	Very high	106 Å²	106	53 Å²	53	56%	0.555	30%	0.299	S	S	*	.			trans	-95.4	151.3	170.6	-76.7	165.9	0	0	0	111	E376 A379	E376-L385 HydrophobicContact CG-CD2 4.02Å; A379-L385 HydrophobicContact CB-CD2 3.63Å; A379-L385 HydrophobicContact CB-CG 4.12Å
386	P	98.7	Very high	98.5	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.026	31%	0.305	C	S	.	.			trans	-72.2	156.4	174.6	34.3	-38.9	0	0	0	111.8	A130 R372 A375 A388 S389	A130-P386 WeakPolarHBondContact O-CB 3.36Å; A130-P386 WeakPolarHBondContact O-CG 3.36Å; R372-P386 HydrophobicContact CG-CG 3.84Å; A375-P386 HydrophobicContact CB-CB 4.07Å; A375-P386 HydrophobicContact CB-CG 3.7Å; P386-A388 PolarHBondContact O-N 3.28Å; P386-A388 VanDerWaalsContact O-N 3.14Å; P386-S389 WeakPolarHBondContact CD-OG 3.43Å; P386-S389 WeakPolarHBondContact CG-OG 3.4Å; P386-S389 WeakPolarHBondContact O-CB 3.49Å; P386-S389 PolarHBondContact O-N 2.97Å
387	P	98.8	Very high	98.5	Very high	74 Å²	74	54.5 Å²	54.5	48%	0.481	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-54.9	-34.4	178	-27.8	35.6	0	0	0	114.3	R129 S389 E390	R129-P387 HydrophobicContact CG-CB 4.1Å; R129-P387 WeakPolarHBondContact O-CD 3.49Å; P387-S389 PolarHBondContact O-N 3.32Å; P387-S389 VanDerWaalsContact O-N 3.15Å; P387-E390 WeakPolarHBondContact O-CB 3.4Å; P387-E390 VanDerWaalsContact O-CG 3.26Å; P387-E390 WeakPolarHBondContact O-CG 3.32Å; P387-E390 PolarHBondContact O-N 2.81Å; P387-E390 VanDerWaalsContact O-N 3.13Å
388	A	98.6	Very high	98.4	Very high	17 Å²	17	56.6 Å²	56.6	14%	0.14	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-61.8	-19.7	177	0	0	0	0	0	114.3	R129 R372 P386 E390 K391	R129-A388 HydrophobicContact CG-CB 4.16Å; R129-A388 VanDerWaalsContact O-CB 3.23Å; R129-A388 WeakPolarHBondContact O-CB 3.35Å; R129-A388 PolarHBondContact O-N 3.1Å; R372-A388 HydrophobicContact CG-CB 3.97Å; P386-A388 PolarHBondContact O-N 3.28Å; P386-A388 VanDerWaalsContact O-N 3.14Å; A388-E390 PolarHBondContact O-N 3.04Å; A388-K391 PolarHBondContact O-N 2.89Å
389	S	98.8	Very high	98.4	Very high	15 Å²	15	59.2 Å²	59.2	11%	0.105	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-71.3	-13.6	176.3	-64.6	0	0	0	0	113.2	E376 P386 P387 K391 H392	E376-S389 VanDerWaalsContact CD-OG 3.27Å; E376-S389 WeakPolarHBondContact CG-OG 3.35Å; E376-S389 WeakPolarHBondContact OE1-CB 3.29Å; E376-S389 PolarHBondContact OE1-OG 3.26Å; P386-S389 WeakPolarHBondContact CD-OG 3.43Å; P386-S389 WeakPolarHBondContact CG-OG 3.4Å; P386-S389 WeakPolarHBondContact O-CB 3.49Å; P386-S389 PolarHBondContact O-N 2.97Å; P387-S389 PolarHBondContact O-N 3.32Å; P387-S389 VanDerWaalsContact O-N 3.15Å; S389-K391 PolarHBondContact O-N 3.09Å; S389-K391 VanDerWaalsContact O-N 3.12Å; S389-H392 PolarHBondContact O-N 3.48Å
390	E	98.6	Very high	98.3	Very high	113 Å²	113	62.7 Å²	62.7	53%	0.528	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-59.6	-22.2	170.7	82.7	-178.4	-134.3	0	0	112.7	R129 P387 A388	R129-E390 IonicContact CZ-OE1 3.62Å; R129-E390 IonicContact CZ-OE2 3.3Å; R129-E390 IonicContact NH1-OE1 3.88Å; R129-E390 IonicContact NH1-OE2 3.73Å; R129-E390 PolarHBondContact NH1-OE2 3.16Å; R129-E390 IonicContact NH2-OE1 2.91Å; R129-E390 PolarHBondContact NH2-OE1 3.09Å; R129-E390 IonicContact NH2-OE2 2.9Å; R129-E390 PolarHBondContact NH2-OE2 3.31Å; R129-E390 VanDerWaalsContact NH2-OE2 3.16Å; P387-E390 WeakPolarHBondContact O-CB 3.4Å; P387-E390 VanDerWaalsContact O-CG 3.26Å; P387-E390 WeakPolarHBondContact O-CG 3.32Å; P387-E390 PolarHBondContact O-N 2.81Å; P387-E390 VanDerWaalsContact O-N 3.13Å; A388-E390 PolarHBondContact O-N 3.04Å
391	K	98.6	Very high	98.3	Very high	159 Å²	159	65.7 Å²	65.7	69%	0.691	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-111.1	23.9	177	-56.1	-51.1	178.7	-147.9	0	111.8	A388 S389	A388-K391 PolarHBondContact O-N 2.89Å; S389-K391 PolarHBondContact O-N 3.09Å; S389-K391 VanDerWaalsContact O-N 3.12Å
392	H	98.8	Very high	98.3	Very high	47 Å²	47	65.5 Å²	65.5	22%	0.218	38%	0.378	C	S	.	.			trans	-138.9	-179.4	178.5	-163.4	-129.8	0	0	0	110.9	R342 R372 E376 S389	R342-H392 PolarHBondContact NH1-CD2 3.35Å; R342-H392 PolarHBondContact NH1-NE2 2.83Å; R372-H392 PolarHBondContact NE-ND1 2.97Å; R372-H392 PolarHBondContact NH2-CD2 3.08Å; R372-H392 VanDerWaalsContact NH2-CD2 3.31Å; R372-H392 PolarHBondContact NH2-CE1 3.21Å; R372-H392 PolarHBondContact NH2-ND1 3.21Å; R372-H392 PolarHBondContact NH2-NE2 3Å; R372-H392 VanDerWaalsContact NH2-NE2 3.2Å; E376-H392 IonicContact OE1-CE1 2.64Å; E376-H392 IonicContact OE1-CG 2.69Å; E376-H392 IonicContact OE1-ND1 3.48Å; E376-H392 PolarHBondContact OE1-ND1 2.89Å; E376-H392 IonicContact OE2-CE1 3.74Å; E376-H392 PolarHBondContact OE2-CE1 3.44Å; E376-H392 VanDerWaalsContact OE2-CE1 3.3Å; E376-H392 IonicContact OE2-ND1 3.88Å; E376-H392 PolarHBondContact OE2-ND1 2.98Å; S389-H392 PolarHBondContact O-N 3.48Å
393	G	96.5	Very high	98.2	Very high	14 Å²	14	69.3 Å²	69.3	14%	0.144	41%	0.405	C	S	.	.			trans	-156	140.6	-179.6	0	0	0	0	0	110	W395 G396 S397	G393-W395 PolarHBondContact O-N 2.64Å; G393-G396 PolarHBondContact O-N 3.25Å; G393-S397 VanDerWaalsContact C-OG 3.27Å; G393-S397 WeakPolarHBondContact CA-OG 3.42Å
394	S	97.9	Very high	98.1	Very high	92 Å²	92	71 Å²	71	64%	0.643	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-51.9	123.5	-175.3	-175	0	0	0	0	111.1	G396 S397	S394-G396 PolarHBondContact O-N 2.91Å; S394-S397 PolarHBondContact N-OG 3.18Å; S394-S397 VanDerWaalsContact O-CB 3.29Å; S394-S397 WeakPolarHBondContact O-CB 3.21Å; S394-S397 PolarHBondContact O-N 2.95Å
395	W	98.3	Very high	98.1	Very high	26 Å²	26	69.6 Å²	69.6	10%	0.098	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	47.7	38.8	175	-70.5	90.2	0	0	0	115.4	W343 Q346 G393 R412 K413 W416 E417	W343-W395 HydrophobicContact CB-CZ3 4.27Å; W343-W395 HydrophobicContact CD2-CE3 4.15Å; W343-W395 HydrophobicContact CD2-CZ3 4.06Å; W343-W395 HydrophobicContact CE3-CD2 4.05Å; W343-W395 AromaticContact CE3-CE3 3.45Å; W343-W395 HydrophobicContact CE3-CE3 3.45Å; W343-W395 VanDerWaalsContact CE3-CE3 3.45Å; W343-W395 HydrophobicContact CE3-CH2 4.21Å; W343-W395 AromaticContact CE3-CZ3 3.57Å; W343-W395 HydrophobicContact CE3-CZ3 3.57Å; W343-W395 HydrophobicContact CG-CZ3 4.37Å; W343-W395 AromaticContact CZ3-CD2 3.96Å; W343-W395 HydrophobicContact CZ3-CD2 3.96Å; W343-W395 AromaticContact CZ3-CE3 3.71Å; W343-W395 HydrophobicContact CZ3-CE3 3.71Å; W343-W395 HydrophobicContact CZ3-CG 4.35Å; W343-W395 HydrophobicContact CZ3-CZ3 4.29Å; Q346-W395 HydrophobicContact CB-CZ2 4.37Å; Q346-W395 VanDerWaalsContact OE1-CE2 3.28Å; Q346-W395 VanDerWaalsContact OE1-CZ2 3.3Å; G393-W395 PolarHBondContact O-N 2.64Å; W395-R412 PolarHBondContact O-N 3.07Å; W395-K413 HydrophobicContact CB-CB 3.97Å; W395-K413 HydrophobicContact CD2-CB 3.61Å; W395-K413 HydrophobicContact CD2-CD 4.03Å; W395-K413 HydrophobicContact CD2-CG 3.58Å; W395-K413 HydrophobicContact CE3-CB 3.97Å; W395-K413 HydrophobicContact CE3-CG 3.79Å; W395-K413 HydrophobicContact CG-CB 3.6Å; W395-K413 HydrophobicContact CG-CD 4.46Å; W395-K413 HydrophobicContact CG-CG 4.08Å; W395-K413 HydrophobicContact CH2-CD 4.26Å; W395-K413 HydrophobicContact CH2-CG 4.04Å; W395-K413 HydrophobicContact CZ2-CD 3.69Å; W395-K413 HydrophobicContact CZ2-CG 3.89Å; W395-K413 HydrophobicContact CZ3-CG 4Å; W395-W416 HydrophobicContact CE3-CB 4.04Å; W395-W416 HydrophobicContact CZ3-CB 4.19Å; W395-E417 HydrophobicContact CH2-CB 4.13Å; W395-E417 HydrophobicContact CH2-CG 4.43Å; W395-E417 HydrophobicContact CZ3-CB 3.86Å
396	G	98.1	Very high	98.1	Very high	12 Å²	12	72.1 Å²	72.1	12%	0.124	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	84.2	18	178.4	0	0	0	0	0	114.3	G393 S394 G398 L399	G393-G396 PolarHBondContact O-N 3.25Å; S394-G396 PolarHBondContact O-N 2.91Å; G396-G398 PolarHBondContact O-N 3.13Å; G396-G398 VanDerWaalsContact O-N 3.1Å; G396-L399 WeakPolarHBondContact O-CB 3.22Å; G396-L399 WeakPolarHBondContact O-CG 3.32Å; G396-L399 PolarHBondContact O-N 3.48Å
397	S	98.2	Very high	98.1	Very high	45 Å²	45	73 Å²	73	32%	0.315	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-53.4	-32.4	-177.8	69.4	0	0	0	0	113.7	G393 S394 L399 D400	G393-S397 VanDerWaalsContact C-OG 3.27Å; G393-S397 WeakPolarHBondContact CA-OG 3.42Å; S394-S397 PolarHBondContact N-OG 3.18Å; S394-S397 VanDerWaalsContact O-CB 3.29Å; S394-S397 WeakPolarHBondContact O-CB 3.21Å; S394-S397 PolarHBondContact O-N 2.95Å; S397-L399 PolarHBondContact O-N 2.69Å; S397-D400 WeakPolarHBondContact O-CB 3.15Å; S397-D400 PolarHBondContact O-N 2.75Å
398	G	97.8	Very high	98.1	Very high	67 Å²	67	74.5 Å²	74.5	69%	0.691	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-63.6	2.7	174.7	0	0	0	0	0	116.1	G396	G396-G398 PolarHBondContact O-N 3.13Å; G396-G398 VanDerWaalsContact O-N 3.1Å
399	L	98.1	Very high	98	Very high	55 Å²	55	76.5 Å²	76.5	29%	0.288	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-95.3	-6.3	169.2	-58.8	177.8	0	0	0	113	G396 S397 M401 H402 V407 R410 A411 W416	G396-L399 WeakPolarHBondContact O-CB 3.22Å; G396-L399 WeakPolarHBondContact O-CG 3.32Å; G396-L399 PolarHBondContact O-N 3.48Å; S397-L399 PolarHBondContact O-N 2.69Å; L399-M401 VanDerWaalsContact C-N 3.32Å; L399-M401 PolarHBondContact O-N 3.11Å; L399-H402 VanDerWaalsContact O-CB 3.24Å; L399-H402 WeakPolarHBondContact O-CB 3.23Å; L399-H402 PolarHBondContact O-N 2.95Å; L399-H402 VanDerWaalsContact O-N 3.14Å; L399-V407 HydrophobicContact CB-CG1 4.36Å; L399-V407 HydrophobicContact CD2-CG1 4.22Å; L399-R410 HydrophobicContact CD1-CB 4.28Å; L399-A411 HydrophobicContact CB-CB 4.22Å; L399-W416 HydrophobicContact CD1-CZ2 4.1Å
400	D	97.6	Very high	98	Very high	88 Å²	88	79.8 Å²	79.8	47%	0.471	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-36	-175.8	61.6	-8.3	0	0	0	114.3	S397 R408 A411	S397-D400 WeakPolarHBondContact O-CB 3.15Å; S397-D400 PolarHBondContact O-N 2.75Å; D400-R408 WeakPolarHBondContact O-CD 3.47Å; D400-R408 VanDerWaalsContact O-CG 3.23Å; D400-R408 WeakPolarHBondContact O-CG 3.09Å; D400-A411 HydrophobicContact CB-CB 4.38Å
401	M	97	Very high	98	Very high	164 Å²	164	75.7 Å²	75.7	81%	0.808	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	5.9	-179.6	-64.1	-58.7	-74.5	0	0	113.5	L399	L399-M401 VanDerWaalsContact C-N 3.32Å; L399-M401 PolarHBondContact O-N 3.11Å
402	H	98.6	Very high	98	Very high	70 Å²	70	73.4 Å²	73.4	32%	0.324	40%	0.397	S	S	.	.			trans	-63.5	142.4	179.8	-171.4	-79.4	0	0	0	111.7	L399 K404 V407 R408	L399-H402 VanDerWaalsContact O-CB 3.24Å; L399-H402 WeakPolarHBondContact O-CB 3.23Å; L399-H402 PolarHBondContact O-N 2.95Å; L399-H402 VanDerWaalsContact O-N 3.14Å; H402-K404 PolarHBondContact ND1-N 2.93Å; H402-K404 PolarHBondContact O-N 3.37Å; H402-V407 HydrophobicContact CB-CB 4.18Å; H402-V407 HydrophobicContact CB-CG1 3.82Å; H402-V407 WeakPolarHBondContact ND1-CB 3.44Å; H402-R408 HydrophobicContact CB-CG 4.27Å; H402-R408 WeakPolarHBondContact O-CD 3.42Å; H402-R408 WeakPolarHBondContact O-CG 3.48Å; H402-R408 PolarHBondContact O-NH1 3.42Å
403	T	97.2	Very high	98	Very high	114 Å²	114	75.1 Å²	75.1	70%	0.699	40%	0.404	S	S	*	.	S	Bend	trans	-61.4	-44.4	-174.9	55.9	0	0	0	0	113.8	R408	T403-R408 PolarHBondContact O-NH1 3.34Å; T403-R408 VanDerWaalsContact O-NH1 3.11Å
404	K	97.6	Very high	98.1	Very high	105 Å²	105	79.8 Å²	79.8	46%	0.457	42%	0.422	S	S	.	.	S	Bend	trans	-72	121.3	-179.9	-63.5	172.9	-177.6	176.1	0	112	H402 W406 V407 R408	H402-K404 PolarHBondContact ND1-N 2.93Å; H402-K404 PolarHBondContact O-N 3.37Å; K404-W406 HydrophobicContact CB-CD2 4.12Å; K404-W406 HydrophobicContact CB-CH2 4.31Å; K404-W406 HydrophobicContact CB-CZ2 3.9Å; K404-W406 HydrophobicContact CD-CH2 4.46Å; K404-W406 HydrophobicContact CD-CZ2 3.61Å; K404-W406 HydrophobicContact CG-CH2 4.18Å; K404-W406 HydrophobicContact CG-CZ2 3.76Å; K404-W406 PolarHBondContact O-N 2.96Å; K404-V407 HydrophobicContact CB-CB 4.34Å; K404-V407 HydrophobicContact CB-CG2 3.86Å; K404-V407 HydrophobicContact CD-CG2 4.39Å; K404-V407 WeakPolarHBondContact O-CB 3.47Å; K404-V407 PolarHBondContact O-N 2.85Å; K404-R408 PolarHBondContact O-N 3.41Å
405	P	98.1	Very high	98.1	Very high	74 Å²	74	78.5 Å²	78.5	48%	0.481	40%	0.404	S	S	.	.	H	α-helix	trans	-57.2	-40.9	-178	-27.4	35.1	0	0	0	114.7	V407 R408 A409	P405-V407 PolarHBondContact O-N 3.28Å; P405-R408 PolarHBondContact O-N 3.22Å; P405-A409 PolarHBondContact O-N 3.08Å
406	W	98.3	Very high	98.2	Very high	160 Å²	160	79.7 Å²	79.7	61%	0.606	41%	0.408	S	S	*	.	H	α-helix	trans	-71.8	-5.1	178.8	61.5	84.9	0	0	0	114.6	K404 R410	K404-W406 HydrophobicContact CB-CD2 4.12Å; K404-W406 HydrophobicContact CB-CH2 4.31Å; K404-W406 HydrophobicContact CB-CZ2 3.9Å; K404-W406 HydrophobicContact CD-CH2 4.46Å; K404-W406 HydrophobicContact CD-CZ2 3.61Å; K404-W406 HydrophobicContact CG-CH2 4.18Å; K404-W406 HydrophobicContact CG-CZ2 3.76Å; K404-W406 PolarHBondContact O-N 2.96Å; W406-R410 WeakPolarHBondContact O-CG 3.27Å; W406-R410 PolarHBondContact O-NE 3.05Å
407	V	98.4	Very high	98.2	Very high	21 Å²	21	84.2 Å²	84.2	13%	0.127	43%	0.426	C	S	.	.	H	α-helix	trans	-92.2	-43.7	168.3	-180	0	0	0	0	109.5	L399 H402 K404 P405 A409 R410	L399-V407 HydrophobicContact CB-CG1 4.36Å; L399-V407 HydrophobicContact CD2-CG1 4.22Å; H402-V407 HydrophobicContact CB-CB 4.18Å; H402-V407 HydrophobicContact CB-CG1 3.82Å; H402-V407 WeakPolarHBondContact ND1-CB 3.44Å; K404-V407 HydrophobicContact CB-CB 4.34Å; K404-V407 HydrophobicContact CB-CG2 3.86Å; K404-V407 HydrophobicContact CD-CG2 4.39Å; K404-V407 WeakPolarHBondContact O-CB 3.47Å; K404-V407 PolarHBondContact O-N 2.85Å; P405-V407 PolarHBondContact O-N 3.28Å; V407-A409 VanDerWaalsContact C-N 3.29Å; V407-A409 PolarHBondContact O-N 2.78Å; V407-R410 VanDerWaalsContact O-CB 3.26Å; V407-R410 WeakPolarHBondContact O-CB 3.37Å; V407-R410 WeakPolarHBondContact O-CG 3.26Å; V407-R410 PolarHBondContact O-N 2.85Å; V407-R410 VanDerWaalsContact O-N 3.08Å
408	R	98.6	Very high	98.2	Very high	107 Å²	107	87 Å²	87	40%	0.404	44%	0.438	S	S	.	.	H	α-helix	trans	-58.4	-39.3	172.9	-60.9	-166.8	-75.4	-114.7	12.3	112.6	D400 H402 T403 K404 P405 R410 A411	D400-R408 WeakPolarHBondContact O-CD 3.47Å; D400-R408 VanDerWaalsContact O-CG 3.23Å; D400-R408 WeakPolarHBondContact O-CG 3.09Å; H402-R408 HydrophobicContact CB-CG 4.27Å; H402-R408 WeakPolarHBondContact O-CD 3.42Å; H402-R408 WeakPolarHBondContact O-CG 3.48Å; H402-R408 PolarHBondContact O-NH1 3.42Å; T403-R408 PolarHBondContact O-NH1 3.34Å; T403-R408 VanDerWaalsContact O-NH1 3.11Å; K404-R408 PolarHBondContact O-N 3.41Å; P405-R408 PolarHBondContact O-N 3.22Å; R408-R410 PolarHBondContact O-N 3.45Å; R408-A411 VanDerWaalsContact O-CB 3.23Å; R408-A411 WeakPolarHBondContact O-CB 3.34Å; R408-A411 PolarHBondContact O-N 3.09Å
409	A	98	Very high	98.2	Very high	59 Å²	59	86.9 Å²	86.9	49%	0.488	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-13.1	176.8	0	0	0	0	0	114.5	P405 V407 R412	P405-A409 PolarHBondContact O-N 3.08Å; V407-A409 VanDerWaalsContact C-N 3.29Å; V407-A409 PolarHBondContact O-N 2.78Å; A409-R412 WeakPolarHBondContact O-CD 3.37Å
410	R	98.6	Very high	98.2	Very high	83 Å²	83	95.4 Å²	95.4	31%	0.313	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.8	176.2	-47.1	-179	-170.9	-170.7	-8.8	113.1	L399 W406 V407 R408 R412 Y415 W416	L399-R410 HydrophobicContact CD1-CB 4.28Å; W406-R410 WeakPolarHBondContact O-CG 3.27Å; W406-R410 PolarHBondContact O-NE 3.05Å; V407-R410 VanDerWaalsContact O-CB 3.26Å; V407-R410 WeakPolarHBondContact O-CB 3.37Å; V407-R410 WeakPolarHBondContact O-CG 3.26Å; V407-R410 PolarHBondContact O-N 2.85Å; V407-R410 VanDerWaalsContact O-N 3.08Å; R408-R410 PolarHBondContact O-N 3.45Å; R410-R412 PolarHBondContact O-N 3.05Å; R410-Y415 HydrophobicContact CB-CD1 3.57Å; R410-Y415 HydrophobicContact CB-CE1 3.6Å; R410-Y415 HydrophobicContact CB-CG 4.15Å; R410-Y415 HydrophobicContact CG-CD1 3.95Å; R410-Y415 HydrophobicContact CG-CD2 4.48Å; R410-Y415 HydrophobicContact CG-CE1 3.52Å; R410-Y415 HydrophobicContact CG-CE2 4.11Å; R410-Y415 HydrophobicContact CG-CG 4.41Å; R410-W416 HydrophobicContact CB-CZ2 3.97Å; R410-W416 VanDerWaalsContact O-CD1 3.22Å; R410-W416 PolarHBondContact O-NE1 3.4Å
411	A	98.6	Very high	98.3	Very high	28 Å²	28	96.3 Å²	96.3	23%	0.231	45%	0.453	C	S	.	.	S	Bend	trans	-77	49.1	-175.8	0	0	0	0	0	112.4	L399 D400 R408	L399-A411 HydrophobicContact CB-CB 4.22Å; D400-A411 HydrophobicContact CB-CB 4.38Å; R408-A411 VanDerWaalsContact O-CB 3.23Å; R408-A411 WeakPolarHBondContact O-CB 3.34Å; R408-A411 PolarHBondContact O-N 3.09Å
412	R	98.1	Very high	98.3	Very high	110 Å²	110	93 Å²	93	42%	0.415	45%	0.452	S	S	.	.	S	Bend	trans	-154.9	144.9	-173.4	68.4	-168.6	-150.4	100.1	7.8	111.8	W395 A409 R410 E414 Y415	W395-R412 PolarHBondContact O-N 3.07Å; A409-R412 WeakPolarHBondContact O-CD 3.37Å; R410-R412 PolarHBondContact O-N 3.05Å; R412-E414 IonicContact CZ-OE1 2.71Å; R412-E414 IonicContact CZ-OE2 2.73Å; R412-E414 IonicContact NH1-OE1 3.57Å; R412-E414 PolarHBondContact NH1-OE1 2.92Å; R412-E414 IonicContact NH1-OE2 3.54Å; R412-E414 PolarHBondContact NH1-OE2 3.12Å; R412-E414 IonicContact NH2-OE1 3.64Å; R412-E414 PolarHBondContact NH2-OE1 2.8Å; R412-E414 IonicContact NH2-OE2 3.88Å; R412-E414 PolarHBondContact NH2-OE2 3.07Å; R412-E414 PolarHBondContact O-N 3.45Å; R412-Y415 PolarHBondContact O-N 3.29Å
413	K	98.3	Very high	98.3	Very high	84 Å²	84	93.3 Å²	93.3	37%	0.365	46%	0.462	S	S	.	.	H	α-helix	trans	-51.7	-55.6	-179.2	173	162.1	178.6	164.8	0	112.8	W395 Y415 W416 E417	W395-K413 HydrophobicContact CB-CB 3.97Å; W395-K413 HydrophobicContact CD2-CB 3.61Å; W395-K413 HydrophobicContact CD2-CD 4.03Å; W395-K413 HydrophobicContact CD2-CG 3.58Å; W395-K413 HydrophobicContact CE3-CB 3.97Å; W395-K413 HydrophobicContact CE3-CG 3.79Å; W395-K413 HydrophobicContact CG-CB 3.6Å; W395-K413 HydrophobicContact CG-CD 4.46Å; W395-K413 HydrophobicContact CG-CG 4.08Å; W395-K413 HydrophobicContact CH2-CD 4.26Å; W395-K413 HydrophobicContact CH2-CG 4.04Å; W395-K413 HydrophobicContact CZ2-CD 3.69Å; W395-K413 HydrophobicContact CZ2-CG 3.89Å; W395-K413 HydrophobicContact CZ3-CG 4Å; K413-Y415 PolarHBondContact O-N 3.06Å; K413-W416 PolarHBondContact O-N 3Å; K413-E417 WeakPolarHBondContact CE-OE1 3.4Å; K413-E417 WeakPolarHBondContact CE-OE2 3.36Å; K413-E417 HydrophobicContact CG-CB 4.43Å; K413-E417 IonicContact NZ-OE1 3.59Å; K413-E417 PolarHBondContact NZ-OE1 3.28Å; K413-E417 IonicContact NZ-OE2 2.78Å; K413-E417 WeakPolarHBondContact O-CB 3.05Å; K413-E417 PolarHBondContact O-N 3.45Å
414	E	98.5	Very high	98.4	Very high	111 Å²	111	91.2 Å²	91.2	52%	0.519	46%	0.462	S	S	.	.	H	α-helix	trans	-55.4	-28.9	-176.6	-166.6	-160.6	123.9	0	0	113.7	R412 N418	R412-E414 IonicContact CZ-OE1 2.71Å; R412-E414 IonicContact CZ-OE2 2.73Å; R412-E414 IonicContact NH1-OE1 3.57Å; R412-E414 PolarHBondContact NH1-OE1 2.92Å; R412-E414 IonicContact NH1-OE2 3.54Å; R412-E414 PolarHBondContact NH1-OE2 3.12Å; R412-E414 IonicContact NH2-OE1 3.64Å; R412-E414 PolarHBondContact NH2-OE1 2.8Å; R412-E414 IonicContact NH2-OE2 3.88Å; R412-E414 PolarHBondContact NH2-OE2 3.07Å; R412-E414 PolarHBondContact O-N 3.45Å; E414-N418 WeakPolarHBondContact O-CB 3.46Å; E414-N418 PolarHBondContact O-ND2 3.28Å
415	Y	98.7	Very high	98.4	Very high	66 Å²	66	90.7 Å²	90.7	26%	0.259	46%	0.457	S	S	.	.	H	α-helix	trans	-70.3	-52.4	175.7	177.5	-93.6	0	0	0	111.4	R410 R412 K413 L419	R410-Y415 HydrophobicContact CB-CD1 3.57Å; R410-Y415 HydrophobicContact CB-CE1 3.6Å; R410-Y415 HydrophobicContact CB-CG 4.15Å; R410-Y415 HydrophobicContact CG-CD1 3.95Å; R410-Y415 HydrophobicContact CG-CD2 4.48Å; R410-Y415 HydrophobicContact CG-CE1 3.52Å; R410-Y415 HydrophobicContact CG-CE2 4.11Å; R410-Y415 HydrophobicContact CG-CG 4.41Å; R412-Y415 PolarHBondContact O-N 3.29Å; K413-Y415 PolarHBondContact O-N 3.06Å; Y415-L419 HydrophobicContact CE1-CD2 3.9Å; Y415-L419 VanDerWaalsContact O-CB 3.27Å; Y415-L419 WeakPolarHBondContact O-CB 3.24Å; Y415-L419 PolarHBondContact O-N 3.24Å
416	W	98.7	Very high	98.4	Very high	51 Å²	51	92.4 Å²	92.4	19%	0.193	47%	0.469	C	S	.	.	H	α-helix	trans	-76.7	-32.3	-174.8	-69.8	112.5	0	0	0	113.6	W343 W395 L399 R410 K413 N418 L419	W343-W416 HydrophobicContact CD2-CB 3.78Å; W343-W416 HydrophobicContact CD2-CG 4.26Å; W343-W416 AromaticContact CE2-CD2 3.84Å; W343-W416 AromaticContact CE2-CG 3.56Å; W343-W416 HydrophobicContact CE3-CB 4.45Å; W343-W416 HydrophobicContact CG-CB 3.95Å; W343-W416 HydrophobicContact CH2-CG 4.49Å; W343-W416 HydrophobicContact CZ2-CB 4.12Å; W343-W416 AromaticContact CZ2-CD1 3.79Å; W343-W416 AromaticContact CZ2-CD2 3.98Å; W343-W416 HydrophobicContact CZ2-CD2 3.98Å; W343-W416 AromaticContact CZ2-CG 3.68Å; W343-W416 HydrophobicContact CZ2-CG 3.68Å; W343-W416 AromaticContact NE1-CD2 3.47Å; W343-W416 AromaticContact NE1-CE3 3.39Å; W343-W416 AromaticContact NE1-CG 3.58Å; W395-W416 HydrophobicContact CE3-CB 4.04Å; W395-W416 HydrophobicContact CZ3-CB 4.19Å; L399-W416 HydrophobicContact CD1-CZ2 4.1Å; R410-W416 HydrophobicContact CB-CZ2 3.97Å; R410-W416 VanDerWaalsContact O-CD1 3.22Å; R410-W416 PolarHBondContact O-NE1 3.4Å; K413-W416 PolarHBondContact O-N 3Å; W416-N418 VanDerWaalsContact C-N 3.28Å; W416-N418 PolarHBondContact O-N 3.22Å; W416-L419 HydrophobicContact CE3-CD2 3.95Å; W416-L419 HydrophobicContact CZ3-CD2 3.73Å
417	E	98.2	Very high	98.4	Very high	106 Å²	106	95.3 Å²	95.3	50%	0.495	48%	0.481	S	S	.	.	H	α-helix	trans	-66.7	-29.6	177.1	-171.4	169.3	-129.8	0	0	112.4	W395 K413	W395-E417 HydrophobicContact CH2-CB 4.13Å; W395-E417 HydrophobicContact CH2-CG 4.43Å; W395-E417 HydrophobicContact CZ3-CB 3.86Å; K413-E417 WeakPolarHBondContact CE-OE1 3.4Å; K413-E417 WeakPolarHBondContact CE-OE2 3.36Å; K413-E417 HydrophobicContact CG-CB 4.43Å; K413-E417 IonicContact NZ-OE1 3.59Å; K413-E417 PolarHBondContact NZ-OE1 3.28Å; K413-E417 IonicContact NZ-OE2 2.78Å; K413-E417 WeakPolarHBondContact O-CB 3.05Å; K413-E417 PolarHBondContact O-N 3.45Å
418	N	98.4	Very high	98.4	Very high	105 Å²	105	99 Å²	99	56%	0.561	50%	0.5	S	S	*	.	H	α-helix	trans	-107.1	-8.4	-177.3	-63.2	-75.7	0	0	0	114.3	E414 W416 R420	E414-N418 WeakPolarHBondContact O-CB 3.46Å; E414-N418 PolarHBondContact O-ND2 3.28Å; W416-N418 VanDerWaalsContact C-N 3.28Å; W416-N418 PolarHBondContact O-N 3.22Å; N418-R420 PolarHBondContact O-N 2.73Å
419	L	98.7	Very high	98.4	Very high	64 Å²	64	98.5 Å²	98.5	34%	0.335	51%	0.511	S	S	.	.			trans	-69	106	178.7	178.9	65	0	0	0	110.8	Y415 W416 I421	Y415-L419 HydrophobicContact CE1-CD2 3.9Å; Y415-L419 VanDerWaalsContact O-CB 3.27Å; Y415-L419 WeakPolarHBondContact O-CB 3.24Å; Y415-L419 PolarHBondContact O-N 3.24Å; W416-L419 HydrophobicContact CE3-CD2 3.95Å; W416-L419 HydrophobicContact CZ3-CD2 3.73Å; L419-I421 HydrophobicContact CD2-CG2 4.01Å; L419-I421 HydrophobicContact CG-CG2 4.04Å; L419-I421 PolarHBondContact O-N 3.32Å
420	R	98.6	Very high	98.4	Very high	233 Å²	233	101 Å²	101	88%	0.879	53%	0.525	S	S	*	.			trans	-70.5	93.8	165.1	-59.7	-57.8	-177.9	167.5	-0.6	109.1	N418	N418-R420 PolarHBondContact O-N 2.73Å
421	I	98.5	Very high	98.4	Very high	108 Å²	108	102 Å²	102	55%	0.554	53%	0.534	S	S	*	.			trans	-62.3	141.8	179.6	60.7	172.6	0	0	0	111.1	T341 L419	T341-I421 HydrophobicContact CG2-CD1 3.66Å; L419-I421 HydrophobicContact CD2-CG2 4.01Å; L419-I421 HydrophobicContact CG-CG2 4.04Å; L419-I421 PolarHBondContact O-N 3.32Å
422	A	98.5	Very high	98.2	Very high	94 Å²	94	102.2 Å²	102.2	78%	0.777	53%	0.534	S	S	*	.			trans	-84.8	145	176.7	0	0	0	0	0	111.1	G424	A422-G424 PolarHBondContact O-N 3.12Å
423	S	98.4	Very high	97.9	Very high	77 Å²	77	105.8 Å²	105.8	54%	0.538	55%	0.553	S	S	.	*			trans	-68.3	-18.1	178.6	66.1	0	0	0	0	114.5	R425	S423-R425 PolarHBondContact O-N 3.09Å; S423-R425 PolarHBondContact O-NH1 2.79Å; S423-R425 PolarHBondContact OG-N 2.88Å; S423-R425 VanDerWaalsContact OG-N 3.14Å
424	G	98.5	Very high	97.6	Very high	69 Å²	69	103.7 Å²	103.7	71%	0.711	55%	0.547	S	S	*	.	S	Bend	trans	67.8	5.7	-169.9	0	0	0	0	0	114.6	A422	A422-G424 PolarHBondContact O-N 3.12Å
425	R	98.1	Very high	96.9	Very high	94 Å²	94	101.4 Å²	101.4	36%	0.355	54%	0.539	S	S	.	.			trans	-126.1	81	-170.6	-68.8	180	179.1	87.1	-15.1	110.8	S423 Y427 N428	S423-R425 PolarHBondContact O-N 3.09Å; S423-R425 PolarHBondContact O-NH1 2.79Å; S423-R425 PolarHBondContact OG-N 2.88Å; S423-R425 VanDerWaalsContact OG-N 3.14Å; R425-Y427 VanDerWaalsContact C-N 3.27Å; R425-Y427 PolarHBondContact O-N 2.97Å; R425-N428 HydrophobicContact CB-CB 3.98Å; R425-N428 PolarHBondContact O-N 3.44Å
426	P	98.1	Very high	95.6	Very high	110 Å²	110	99.9 Å²	99.9	71%	0.714	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.7	-171.8	29.7	-36.2	0	0	0	114.6
427	Y	98.1	Very high	93.8	Very high	221 Å²	221	100.4 Å²	100.4	87%	0.867	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	3.3	178.9	-57.5	-68.7	0	0	0	113.4	R425	R425-Y427 VanDerWaalsContact C-N 3.27Å; R425-Y427 PolarHBondContact O-N 2.97Å
428	N	98.4	Very high	92.2	Very high	100 Å²	100	98.4 Å²	98.4	54%	0.535	55%	0.552	S	S	.	*	S	Bend	trans	-106.2	147.9	178.6	-66.9	87.6	0	0	0	110.1	R425	R425-N428 HydrophobicContact CB-CB 3.98Å; R425-N428 PolarHBondContact O-N 3.44Å
429	P	97.9	Very high	90.7	Very high	95 Å²	95	95 Å²	95	62%	0.617	54%	0.536	S	S	*	.			trans	-69.6	163.3	171.7	33.8	-37.1	0	0	0	110.9	M431	P429-M431 WeakPolarHBondContact CB-O 3.33Å
430	S	97.9	Very high	89.5	Confident	112 Å²	112	94.4 Å²	94.4	78%	0.783	54%	0.535	S	S	*	.	S	Bend	trans	-84.4	-12	173.1	61.2	0	0	0	0	113.9
431	M	98.3	Very high	88.1	Confident	104 Å²	104	85.9 Å²	85.9	51%	0.512	50%	0.504	S	S	.	.			trans	-147.9	150.9	-178.3	-69.1	-173.4	-56.5	0	0	109.4	P318 D319 P429	P318-M431 HydrophobicContact CB-SD 4.46Å; P318-M431 HydrophobicContact CG-CG 4.2Å; P318-M431 HydrophobicContact CG-SD 4.14Å; D319-M431 HydrophobicContact CB-CB 3.84Å; D319-M431 HydrophobicContact CB-CG 3.96Å; D319-M431 HydrophobicContact CB-SD 4.13Å; D319-M431 VanDerWaalsContact OD2-CA 3.23Å; D319-M431 WeakPolarHBondContact OD2-CA 3.47Å; P429-M431 WeakPolarHBondContact CB-O 3.33Å
432	S	94.8	Very high	86.6	Confident	32 Å²	32	82.4 Å²	82.4	22%	0.224	50%	0.495	C	S	.	.			trans	-116.2	159.2	175.6	-69	0	0	0	0	109.6	D319 E330	D319-S432 WeakPolarHBondContact CB-O 3.14Å; D319-S432 PolarHBondContact OD2-N 2.78Å; E330-S432 WeakPolarHBondContact OE1-CB 3.48Å; E330-S432 PolarHBondContact OE1-OG 2.98Å
433	K	93.1	Very high	85.4	Confident	186 Å²	186	80.2 Å²	80.2	81%	0.809	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-86	131.4	168	-71.2	-171.9	176.9	-173.4	0	108.1	P329	P329-K433 VanDerWaalsContact CD-O 3.25Å; P329-K433 WeakPolarHBondContact CD-O 3.34Å; P329-K433 WeakPolarHBondContact CG-O 3.49Å
434	P	91.5	Very high	84.2	Confident	40 Å²	40	79.6 Å²	79.6	26%	0.26	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-57.9	140.2	169.8	-22.8	32.5	0	0	0	111.2	D319 N321 D327 L328	D319-P434 VanDerWaalsContact O-CD 3.3Å; D319-P434 WeakPolarHBondContact O-CD 3.46Å; D319-P434 WeakPolarHBondContact O-CG 3.29Å; N321-P434 HydrophobicContact CB-CB 4.39Å; N321-P434 HydrophobicContact CB-CG 4.15Å; D327-P434 HydrophobicContact CB-CB 3.95Å; D327-P434 CarbonylContact O-C 3.51Å; D327-P434 VanDerWaalsContact O-CA 3.24Å; D327-P434 WeakPolarHBondContact O-CA 3.26Å; L328-P434 HydrophobicContact CD2-CG 4.15Å
435	D	84.4	Confident	83	Confident	62 Å²	62	79 Å²	79	33%	0.332	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-65.6	148.2	161.3	-71.5	-31.2	0	0	0	109	D327 Q465	D327-D435 WeakPolarHBondContact CB-O 3.49Å; D327-D435 PolarHBondContact O-N 3.03Å; D435-Q465 PolarHBondContact OD1-NE2 2.72Å; D435-Q465 PolarHBondContact OD2-NE2 2.94Å
436	G	69.8	Low	81.7	Confident	34 Å²	34	77.2 Å²	77.2	35%	0.351	45%	0.447	S	S	.	.			trans	-151.4	97.6	-163.3	0	0	0	0	0	114.6
437	W	61.5	Low	80.4	Confident	63 Å²	63	76 Å²	76	24%	0.239	43%	0.433	C	S	.	.			trans	-89.4	-28.3	177.8	-59	112.7	0	0	0	114	V439 L461 K464 Q465 K468	W437-V439 HydrophobicContact CB-CB 4.45Å; W437-V439 HydrophobicContact CB-CG1 3.75Å; W437-V439 HydrophobicContact CB-CG2 4.13Å; W437-L461 WeakPolarHBondContact CH2-O 3.36Å; W437-K464 HydrophobicContact CE3-CB 4.12Å; W437-K464 HydrophobicContact CH2-CB 4.04Å; W437-K464 VanDerWaalsContact CZ3-C 3.43Å; W437-K464 HydrophobicContact CZ3-CB 3.35Å; W437-Q465 HydrophobicContact CH2-CB 3.41Å; W437-Q465 VanDerWaalsContact CH2-CB 3.41Å; W437-Q465 HydrophobicContact CH2-CG 3.61Å; W437-Q465 HydrophobicContact CZ2-CB 4.16Å; W437-Q465 HydrophobicContact CZ2-CG 3.92Å; W437-Q465 HydrophobicContact CZ3-CB 4.16Å; W437-Q465 HydrophobicContact CZ3-CG 4.42Å; W437-Q465 VanDerWaalsContact CZ3-N 3.26Å; W437-K468 PolarHBondContact O-NZ 3.33Å
438	G	64	Low	78.8	Confident	63 Å²	63	68.2 Å²	68.2	65%	0.649	41%	0.405	S	S	*	.			trans	66.3	26.7	-170.6	0	0	0	0	0	112.9
439	V	66.9	Low	77.4	Confident	34 Å²	34	66.5 Å²	66.5	21%	0.206	39%	0.394	C	S	.	.			trans	-74.3	150.4	174.1	-68	0	0	0	0	110.5	W437 T443 E445 L446	W437-V439 HydrophobicContact CB-CB 4.45Å; W437-V439 HydrophobicContact CB-CG1 3.75Å; W437-V439 HydrophobicContact CB-CG2 4.13Å; V439-T443 HydrophobicContact CG1-CG2 4.12Å; V439-E445 HydrophobicContact CG1-CB 4.39Å; V439-L446 HydrophobicContact CB-CD1 3.92Å; V439-L446 HydrophobicContact CB-CG 4.1Å; V439-L446 HydrophobicContact CG2-CD1 3.89Å; V439-L446 HydrophobicContact CG2-CD2 4.09Å; V439-L446 HydrophobicContact CG2-CG 4.04Å
440	T	74.1	Confident	75.9	Confident	52 Å²	52	67.2 Å²	67.2	32%	0.319	39%	0.387	S	S	.	.			trans	-150.5	-178.6	174.2	-171.2	0	0	0	0	110.1	G442 T443	T440-G442 PolarHBondContact O-N 2.9Å; T440-T443 PolarHBondContact N-OG1 3.46Å; T440-T443 WeakPolarHBondContact O-CB 3.48Å; T440-T443 PolarHBondContact O-N 3.24Å; T440-T443 PolarHBondContact O-OG1 3Å
441	K	69.8	Low	74.6	Confident	53 Å²	53	67.5 Å²	67.5	23%	0.23	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-39.5	127.9	176.4	-173.6	-171.7	-171.1	179.4	0	112	Y192 E229	Y192-K441 HydrophobicContact CD1-CD 4.37Å; Y192-K441 HydrophobicContact CD1-CG 4.49Å; Y192-K441 HydrophobicContact CE1-CD 3.67Å; Y192-K441 HydrophobicContact CE1-CG 4.1Å; Y192-K441 HydrophobicContact CE2-CD 4.26Å; Y192-K441 VanDerWaalsContact CZ-CE 3.48Å; Y192-K441 VanDerWaalsContact CZ-NZ 3.33Å; Y192-K441 WeakPolarHBondContact O-CE 3.42Å; Y192-K441 PolarHBondContact OH-NZ 2.67Å; E229-K441 IonicContact OE2-NZ 3.59Å; E229-K441 PolarHBondContact OE2-NZ 3.41Å
442	G	66.7	Low	73.3	Confident	36 Å²	36	65.4 Å²	65.4	37%	0.371	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-2	-179.8	0	0	0	0	0	116.7	L193 C195 T440	L193-G442 PolarHBondContact O-N 3.25Å; C195-G442 VanDerWaalsContact SG-CA 3.54Å; T440-G442 PolarHBondContact O-N 2.9Å
443	T	74	Confident	72.5	Confident	47 Å²	47	66.1 Å²	66.1	29%	0.288	38%	0.378	S	S	.	.			trans	-74.5	138.3	172.3	-27.7	0	0	0	0	110.5	V439 T440 E445 L446 M447	V439-T443 HydrophobicContact CG1-CG2 4.12Å; T440-T443 PolarHBondContact N-OG1 3.46Å; T440-T443 WeakPolarHBondContact O-CB 3.48Å; T440-T443 PolarHBondContact O-N 3.24Å; T440-T443 PolarHBondContact O-OG1 3Å; T443-E445 VanDerWaalsContact CG2-OE2 3.23Å; T443-E445 WeakPolarHBondContact CG2-OE2 3.48Å; T443-E445 PolarHBondContact O-N 3.48Å; T443-E445 VanDerWaalsContact O-N 3.13Å; T443-L446 PolarHBondContact O-N 2.95Å; T443-M447 PolarHBondContact O-N 3.49Å
444	A	72.4	Confident	71.9	Confident	65 Å²	65	60.6 Å²	60.6	54%	0.537	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-57.2	-33	-170	0	0	0	0	0	114.3	L446 M447	A444-L446 PolarHBondContact O-N 3.19Å; A444-M447 PolarHBondContact O-N 3.18Å
445	E	73.1	Confident	71.2	Confident	57 Å²	57	67.1 Å²	67.1	27%	0.266	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-67.4	-21.9	178.6	-62.1	83.1	173.1	0	0	113.6	R150 V439 T443 L461 K464	R150-E445 PolarHBondContact NH2-O 2.76Å; R150-E445 VanDerWaalsContact NH2-O 3.1Å; V439-E445 HydrophobicContact CG1-CB 4.39Å; T443-E445 VanDerWaalsContact CG2-OE2 3.23Å; T443-E445 WeakPolarHBondContact CG2-OE2 3.48Å; T443-E445 PolarHBondContact O-N 3.48Å; T443-E445 VanDerWaalsContact O-N 3.13Å; E445-L461 HydrophobicContact CG-CD2 3.94Å; E445-K464 IonicContact OE1-NZ 3.22Å; E445-K464 PolarHBondContact OE1-NZ 3.39Å
446	L	70.1	Confident	71	Confident	55 Å²	55	69 Å²	69	29%	0.288	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-98	-10.6	178.8	-63.6	-176.7	0	0	0	113.7	V439 T443 A444	V439-L446 HydrophobicContact CB-CD1 3.92Å; V439-L446 HydrophobicContact CB-CG 4.1Å; V439-L446 HydrophobicContact CG2-CD1 3.89Å; V439-L446 HydrophobicContact CG2-CD2 4.09Å; V439-L446 HydrophobicContact CG2-CG 4.04Å; T443-L446 PolarHBondContact O-N 2.95Å; A444-L446 PolarHBondContact O-N 3.19Å
447	M	72.7	Confident	71.5	Confident	84 Å²	84	69.9 Å²	69.9	41%	0.414	39%	0.389	S	S	.	.	S	Bend	trans	-65.8	142.7	179.5	-61	-173	82.4	0	0	111.6	T443 A444	T443-M447 PolarHBondContact O-N 3.49Å; A444-M447 PolarHBondContact O-N 3.18Å
448	Q	63.2	Low	72.4	Confident	58 Å²	58	70.5 Å²	70.5	27%	0.271	40%	0.397	S	S	.	.			trans	-58	137.5	178.4	-77.6	179.4	-55	0	0	112.2	D145 P190 S194 K196	D145-Q448 PolarHBondContact O-NE2 2.69Å; P190-Q448 HydrophobicContact CB-CG 3.75Å; P190-Q448 HydrophobicContact CG-CG 4.48Å; S194-Q448 PolarHBondContact OG-N 3.25Å; K196-Q448 VanDerWaalsContact NZ-OE1 3.09Å
449	Q	68.3	Low	73.1	Confident	64 Å²	64	72.8 Å²	72.8	30%	0.299	39%	0.389	S	S	.	.			trans	-137.7	136.3	173.1	-65.4	177.4	37.3	0	0	108.5	N149 R150	N149-Q449 PolarHBondContact OD1-O 3.03Å; R150-Q449 WeakPolarHBondContact CA-O 3.5Å; R150-Q449 PolarHBondContact N-O 3.36Å
450	K	66.6	Low	73.8	Confident	110 Å²	110	75 Å²	75	48%	0.478	40%	0.397	S	S	.	.	S	Bend	trans	-74.6	-41	177.7	-172.9	174.4	-178.9	176.6	0	111.7	G151 E156	G151-K450 PolarHBondContact N-O 3.48Å; E156-K450 IonicContact OE1-NZ 3.73Å
451	E	71.4	Confident	74	Confident	119 Å²	119	75 Å²	75	56%	0.556	39%	0.394	S	S	*	.	S	Bend	trans	-74.6	159.1	179.2	-61.1	-52.6	136.9	0	0	112.4
452	A	72.1	Confident	74.2	Confident	59 Å²	59	78.3 Å²	78.3	49%	0.488	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-66.7	148.9	171.6	0	0	0	0	0	111.2	T454	A452-T454 PolarHBondContact O-N 3.3Å
453	T	77.4	Confident	74.6	Confident	47 Å²	47	80.9 Å²	80.9	29%	0.288	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-59.6	122.9	177.7	-51.2	0	0	0	0	110.6	Q457 L458	T453-Q457 HydrophobicContact CG2-CB 3.72Å; T453-L458 HydrophobicContact CG2-CD2 4.01Å; T453-L458 HydrophobicContact CG2-CG 4.04Å
454	T	79.6	Confident	74.3	Confident	71 Å²	71	82.8 Å²	82.8	44%	0.436	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-73.2	156.7	-176.1	61.2	0	0	0	0	112.3	A452 Q456 Q457 L458	A452-T454 PolarHBondContact O-N 3.3Å; T454-Q456 PolarHBondContact O-N 2.93Å; T454-Q457 PolarHBondContact O-N 3.06Å; T454-Q457 VanDerWaalsContact O-N 3.13Å; T454-Q457 VanDerWaalsContact OG1-CG 3.32Å; T454-Q457 WeakPolarHBondContact OG1-CG 3.47Å; T454-Q457 PolarHBondContact OG1-N 3.28Å; T454-Q457 PolarHBondContact OG1-OE1 3.23Å; T454-L458 WeakPolarHBondContact O-CG 3.25Å; T454-L458 PolarHBondContact O-N 2.98Å
455	E	77.7	Confident	73.9	Confident	176 Å²	176	82.4 Å²	82.4	82%	0.822	40%	0.403	S	S	*	.	H	α-helix	trans	-55.5	-33.7	173.8	-66.8	-172.7	169.9	0	0	112.6	L458 K459	E455-L458 PolarHBondContact O-N 3.33Å; E455-K459 WeakPolarHBondContact O-CB 3.23Å; E455-K459 PolarHBondContact O-N 2.79Å
456	Q	80.6	Confident	73.2	Confident	102 Å²	102	86.5 Å²	86.5	48%	0.477	42%	0.42	S	S	.	.	H	α-helix	trans	-68.2	-45.4	177.1	179.5	56.8	32.1	0	0	112	T454 L458 K459 E460	T454-Q456 PolarHBondContact O-N 2.93Å; Q456-L458 VanDerWaalsContact C-N 3.34Å; Q456-L458 PolarHBondContact O-N 3.3Å; Q456-K459 WeakPolarHBondContact O-CB 3.3Å; Q456-K459 PolarHBondContact O-N 2.65Å; Q456-E460 WeakPolarHBondContact CG-OE1 3.22Å; Q456-E460 PolarHBondContact NE2-OE1 3.37Å; Q456-E460 WeakPolarHBondContact O-CG 2.92Å; Q456-E460 PolarHBondContact O-N 3.5Å
457	Q	78.8	Confident	72.4	Confident	52 Å²	52	92.3 Å²	92.3	24%	0.243	44%	0.443	C	S	.	.	H	α-helix	trans	-63.4	-39.8	174.2	-72.3	164.4	-45.9	0	0	111.7	T453 T454 K459 E460 L461	T453-Q457 HydrophobicContact CG2-CB 3.72Å; T454-Q457 PolarHBondContact O-N 3.06Å; T454-Q457 VanDerWaalsContact O-N 3.13Å; T454-Q457 VanDerWaalsContact OG1-CG 3.32Å; T454-Q457 WeakPolarHBondContact OG1-CG 3.47Å; T454-Q457 PolarHBondContact OG1-N 3.28Å; T454-Q457 PolarHBondContact OG1-OE1 3.23Å; Q457-K459 VanDerWaalsContact C-N 3.35Å; Q457-E460 PolarHBondContact O-N 2.71Å; Q457-L461 WeakPolarHBondContact O-CG 3.32Å; Q457-L461 PolarHBondContact O-N 3.31Å
458	L	80.9	Confident	71.3	Confident	77 Å²	77	94.7 Å²	94.7	40%	0.403	45%	0.451	S	S	.	.	H	α-helix	trans	-61	-44.2	173.7	-69.9	173.2	0	0	0	111.2	T453 T454 E455 Q456 L461 F462	T453-L458 HydrophobicContact CG2-CD2 4.01Å; T453-L458 HydrophobicContact CG2-CG 4.04Å; T454-L458 WeakPolarHBondContact O-CG 3.25Å; T454-L458 PolarHBondContact O-N 2.98Å; E455-L458 PolarHBondContact O-N 3.33Å; Q456-L458 VanDerWaalsContact C-N 3.34Å; Q456-L458 PolarHBondContact O-N 3.3Å; L458-L461 WeakPolarHBondContact O-CB 3.08Å; L458-L461 PolarHBondContact O-N 2.79Å; L458-F462 WeakPolarHBondContact O-CD2 3.41Å; L458-F462 PolarHBondContact O-N 2.71Å
459	K	79	Confident	70.2	Confident	110 Å²	110	96.4 Å²	96.4	48%	0.478	47%	0.469	S	S	.	.	H	α-helix	trans	-61.1	-45.4	176.5	-178.6	-176.9	168.4	-171.4	0	112	E455 Q456 Q457 L461 F462 E463	E455-K459 WeakPolarHBondContact O-CB 3.23Å; E455-K459 PolarHBondContact O-N 2.79Å; Q456-K459 WeakPolarHBondContact O-CB 3.3Å; Q456-K459 PolarHBondContact O-N 2.65Å; Q457-K459 VanDerWaalsContact C-N 3.35Å; K459-L461 VanDerWaalsContact C-N 3.33Å; K459-L461 PolarHBondContact O-N 3.42Å; K459-F462 PolarHBondContact O-N 2.87Å; K459-E463 WeakPolarHBondContact CE-OE1 3.39Å; K459-E463 HydrophobicContact CG-CG 4.49Å; K459-E463 IonicContact NZ-OE1 3.8Å; K459-E463 WeakPolarHBondContact O-CB 2.89Å; K459-E463 WeakPolarHBondContact O-CG 3.48Å; K459-E463 PolarHBondContact O-N 3.28Å
460	E	80.4	Confident	68.6	Low	82 Å²	82	105.1 Å²	105.1	38%	0.383	51%	0.51	S	S	.	.	H	α-helix	trans	-62.2	-38.5	177.3	-74.5	168.8	-156.7	0	0	112.5	Q456 Q457 K464	Q456-E460 WeakPolarHBondContact CG-OE1 3.22Å; Q456-E460 PolarHBondContact NE2-OE1 3.37Å; Q456-E460 WeakPolarHBondContact O-CG 2.92Å; Q456-E460 PolarHBondContact O-N 3.5Å; Q457-E460 PolarHBondContact O-N 2.71Å; E460-K464 WeakPolarHBondContact O-CG 3.2Å; E460-K464 PolarHBondContact O-N 3.16Å
461	L	78.3	Confident	68.7	Low	50 Å²	50	104.9 Å²	104.9	26%	0.262	51%	0.512	S	S	.	.	H	α-helix	trans	-60.2	-59.5	169.8	-70.4	167.5	0	0	0	109.9	W437 E445 Q457 L458 K459 E463 K464 Q465	W437-L461 WeakPolarHBondContact CH2-O 3.36Å; E445-L461 HydrophobicContact CG-CD2 3.94Å; Q457-L461 WeakPolarHBondContact O-CG 3.32Å; Q457-L461 PolarHBondContact O-N 3.31Å; L458-L461 WeakPolarHBondContact O-CB 3.08Å; L458-L461 PolarHBondContact O-N 2.79Å; K459-L461 VanDerWaalsContact C-N 3.33Å; K459-L461 PolarHBondContact O-N 3.42Å; L461-E463 PolarHBondContact O-N 3.06Å; L461-E463 VanDerWaalsContact O-N 3.11Å; L461-K464 PolarHBondContact O-N 3.11Å; L461-Q465 PolarHBondContact O-N 3.39Å
462	F	75.3	Confident	68.5	Low	124 Å²	124	104.1 Å²	104.1	54%	0.544	51%	0.509	S	S	.	.	H	α-helix	trans	-56	-31.9	-179.8	-78.2	-62.2	0	0	0	114.6	L458 K459	L458-F462 WeakPolarHBondContact O-CD2 3.41Å; L458-F462 PolarHBondContact O-N 2.71Å; K459-F462 PolarHBondContact O-N 2.87Å
463	E	74.5	Confident	68.3	Low	89 Å²	89	106.6 Å²	106.6	42%	0.416	51%	0.51	S	S	.	.	H	α-helix	trans	-70.3	-43.8	175.9	-77.7	-179.6	179	0	0	112.1	K459 L461 Q465 K466 F467	K459-E463 WeakPolarHBondContact CE-OE1 3.39Å; K459-E463 HydrophobicContact CG-CG 4.49Å; K459-E463 IonicContact NZ-OE1 3.8Å; K459-E463 WeakPolarHBondContact O-CB 2.89Å; K459-E463 WeakPolarHBondContact O-CG 3.48Å; K459-E463 PolarHBondContact O-N 3.28Å; L461-E463 PolarHBondContact O-N 3.06Å; L461-E463 VanDerWaalsContact O-N 3.11Å; E463-Q465 PolarHBondContact O-N 3.31Å; E463-Q465 VanDerWaalsContact O-N 3.16Å; E463-K466 PolarHBondContact O-N 3.48Å; E463-F467 VanDerWaalsContact O-CD2 3.22Å; E463-F467 WeakPolarHBondContact O-CD2 3.43Å
464	K	68.4	Low	67.8	Low	88 Å²	88	110.1 Å²	110.1	38%	0.383	52%	0.524	S	S	.	.	H	α-helix	trans	-57.4	-29.7	176.1	-72.5	167.3	176.6	168.5	0	112.4	W437 E445 E460 L461 K466 F467	W437-K464 HydrophobicContact CE3-CB 4.12Å; W437-K464 HydrophobicContact CH2-CB 4.04Å; W437-K464 VanDerWaalsContact CZ3-C 3.43Å; W437-K464 HydrophobicContact CZ3-CB 3.35Å; E445-K464 IonicContact OE1-NZ 3.22Å; E445-K464 PolarHBondContact OE1-NZ 3.39Å; E460-K464 WeakPolarHBondContact O-CG 3.2Å; E460-K464 PolarHBondContact O-N 3.16Å; L461-K464 PolarHBondContact O-N 3.11Å; K464-K466 VanDerWaalsContact C-N 3.32Å; K464-K466 PolarHBondContact O-N 3.17Å; K464-F467 PolarHBondContact O-N 3.14Å
465	Q	63.1	Low	67.1	Low	57 Å²	57	112.6 Å²	112.6	27%	0.266	53%	0.529	S	S	.	.	H	α-helix	trans	-62	-45	-175.1	-140.5	172	-10.1	0	0	110.4	D435 W437 L461 E463 F467 K468 S469	D435-Q465 PolarHBondContact OD1-NE2 2.72Å; D435-Q465 PolarHBondContact OD2-NE2 2.94Å; W437-Q465 HydrophobicContact CH2-CB 3.41Å; W437-Q465 VanDerWaalsContact CH2-CB 3.41Å; W437-Q465 HydrophobicContact CH2-CG 3.61Å; W437-Q465 HydrophobicContact CZ2-CB 4.16Å; W437-Q465 HydrophobicContact CZ2-CG 3.92Å; W437-Q465 HydrophobicContact CZ3-CB 4.16Å; W437-Q465 HydrophobicContact CZ3-CG 4.42Å; W437-Q465 VanDerWaalsContact CZ3-N 3.26Å; L461-Q465 PolarHBondContact O-N 3.39Å; E463-Q465 PolarHBondContact O-N 3.31Å; E463-Q465 VanDerWaalsContact O-N 3.16Å; Q465-F467 PolarHBondContact O-N 3.45Å; Q465-K468 PolarHBondContact O-N 3.06Å; Q465-K468 VanDerWaalsContact O-N 3.13Å; Q465-S469 PolarHBondContact O-N 3.32Å; Q465-S469 PolarHBondContact O-OG 3.13Å
466	K	58.2	Low	66.4	Low	143 Å²	143	108.3 Å²	108.3	62%	0.622	51%	0.51	S	S	*	.	H	α-helix	trans	-65.2	-24.1	-174.9	-59.9	173.2	-174	173.8	0	112.4	E463 K464 S469	E463-K466 PolarHBondContact O-N 3.48Å; K464-K466 VanDerWaalsContact C-N 3.32Å; K464-K466 PolarHBondContact O-N 3.17Å; K466-S469 WeakPolarHBondContact CA-OG 3.48Å; K466-S469 PolarHBondContact O-OG 3.22Å; K466-S469 VanDerWaalsContact O-OG 3.06Å
467	F	53.3	Low	65.4	Low	176 Å²	176	108.8 Å²	108.8	77%	0.772	51%	0.512	S	S	*	.	H	α-helix	trans	-84.5	-18.1	178	-69.8	-72.3	0	0	0	114	E463 K464 Q465	E463-F467 VanDerWaalsContact O-CD2 3.22Å; E463-F467 WeakPolarHBondContact O-CD2 3.43Å; K464-F467 PolarHBondContact O-N 3.14Å; Q465-F467 PolarHBondContact O-N 3.45Å
468	K	50.4	Low	64.3	Low	134 Å²	134	113.2 Å²	113.2	58%	0.583	53%	0.533	S	S	*	.	H	α-helix	trans	-95.6	-3.9	174.6	-73.5	-168.1	171.1	-170.9	0	113.9	W437 Q465	W437-K468 PolarHBondContact O-NZ 3.33Å; Q465-K468 PolarHBondContact O-N 3.06Å; Q465-K468 VanDerWaalsContact O-N 3.13Å
469	S	41	Very low	62.9	Low	94 Å²	94	116.2 Å²	116.2	66%	0.657	54%	0.543	S	S	*	.			trans	-97.8	21.9	179.9	54.4	0	0	0	0	114.4	Q465 K466	Q465-S469 PolarHBondContact O-N 3.32Å; Q465-S469 PolarHBondContact O-OG 3.13Å; K466-S469 WeakPolarHBondContact CA-OG 3.48Å; K466-S469 PolarHBondContact O-OG 3.22Å; K466-S469 VanDerWaalsContact O-OG 3.06Å
470	Q	33.4	Very low	61.5	Low	247 Å²	247	116.7 Å²	116.7	100%	1.154	55%	0.549	S	S	*	.			trans	-109.1	0	170.3	-73.4	-166.9	-8.5	0	0	110.7

Retrieved 470 of 470 residues in 82.7 ms (Link to these results)

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