A0A096MPH0_PAPAN Loading...

Apoptosis-inducing factor 1, mitochondrial

Functions both as NADH oxidoreductase and as regulator of apoptosis. In response to apoptotic stimuli, it is released from the mitochondrion intermembrane space into the cytosol and to the nucleus, where it functions as a proapoptotic factor in a caspase-independent pathway. Release into the cytoplasm is mediated upon binding to poly-ADP-ribose chains. The soluble form (AIFsol) found in the nucleus induces 'parthanatos' i.e. caspase-independent fragmentation of chromosomal DNA. Binds to DNA in a sequence-independent manner. Interacts with EIF3G, and thereby inhibits the EIF3 machinery and protein synthesis, and activates caspase-7 to amplify apoptosis. Plays a critical role in caspase-independent, pyknotic cell death in hydrogen peroxide-exposed cells. In contrast, participates in normal mitochondrial metabolism. Plays an important role in the regulation of respiratory chain biogenesis by interacting with CHCHD4 and controlling CHCHD4 mitochondrial import.

AlphaFold DB , UniProt , Accession A0A096MPH0, Species PAPAN (Papio anubis, Olive baboon), Gene AIFM1, Length 613 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	32.2	Very low	28.6	Very low	225 Å²	225	129.8 Å²	129.8	100%	1.108	84%	0.837	S	S	*	*				0	127.1	0	-102.9	-173.4	-179.4	0	0	107.9
2	F	29.9	Very low	28.5	Very low	168 Å²	168	132.7 Å²	132.7	74%	0.737	84%	0.839	S	S	*	*			trans	55.7	154.4	168.2	-65	-92.4	0	0	0	118.7
3	R	27.9	Very low	28.5	Very low	206 Å²	206	136.8 Å²	136.8	78%	0.777	84%	0.836	S	S	*	*			cis	-157	129.3	-38.6	-116.1	-166.5	-175.6	164.4	-1.6	105.7
4	C	27	Very low	28.7	Very low	126 Å²	126	137.6 Å²	137.6	85%	0.851	83%	0.826	S	S	*	*				61.5	122.8	95.6	-60.2	0	0	0	0	117.6
5	G	27.4	Very low	28.6	Very low	87 Å²	87	139.5 Å²	139.5	90%	0.897	82%	0.819	S	S	*	*			trans	118.4	129.4	156.5	0	0	0	0	0	115.7
6	G	27.7	Very low	28.5	Very low	69 Å²	69	140.2 Å²	140.2	71%	0.711	82%	0.817	S	S	*	*			cis	140.5	135.7	-19.2	0	0	0	0	0	115.5
7	L	28.8	Very low	28.6	Very low	183 Å²	183	139.5 Å²	139.5	96%	0.958	82%	0.815	S	S	*	*			trans	67.7	157.5	169.2	-63.6	157.1	0	0	0	114.8
8	A	29.5	Very low	29.1	Very low	89 Å²	89	137.3 Å²	137.3	74%	0.736	81%	0.806	S	S	*	*			cis	-162.9	-178.7	-1.7	0	0	0	0	0	107.6
9	A	28.8	Very low	29	Very low	104 Å²	104	139.5 Å²	139.5	86%	0.86	81%	0.813	S	S	*	*			cis	-171	163.3	-33.9	0	0	0	0	0	108.5
10	G	26.2	Very low	28.9	Very low	76 Å²	76	138 Å²	138	78%	0.784	81%	0.805	S	S	*	*			trans	130	103.7	174.6	0	0	0	0	0	113.8
11	A	29.8	Very low	28.7	Very low	95 Å²	95	142.1 Å²	142.1	79%	0.785	81%	0.807	S	S	*	*			cis	105.6	89.9	6.2	0	0	0	0	0	117.6
12	L	27.3	Very low	28.4	Very low	164 Å²	164	137.7 Å²	137.7	86%	0.859	79%	0.793	S	S	*	*			trans	-144.9	123.5	146.5	-121.8	72	0	0	0	105.3
13	K	28.2	Very low	28	Very low	186 Å²	186	136.1 Å²	136.1	81%	0.809	80%	0.797	S	S	*	*				62.3	124.5	58	-72.7	-177.6	176.8	176.8	0	112.1
14	Q	31.4	Very low	27.8	Very low	149 Å²	149	131.4 Å²	131.4	70%	0.696	79%	0.794	S	S	*	*			cis	-136.1	-178.6	5	-87.8	162.4	67.4	0	0	109.1
15	K	27.3	Very low	27.7	Very low	165 Å²	165	131.5 Å²	131.5	72%	0.717	79%	0.791	S	S	*	*			cis	-154	157.6	9	-126.8	145.6	179.4	153.7	0	105.5
16	L	27.3	Very low	27.5	Very low	151 Å²	151	138.7 Å²	138.7	79%	0.791	79%	0.791	S	S	*	*			cis	66	130	45.9	-68.6	166.1	0	0	0	112.9
17	V	30.5	Very low	27.4	Very low	129 Å²	129	140.7 Å²	140.7	78%	0.782	79%	0.794	S	S	*	*			cis	-144.3	153.1	24.9	177	0	0	0	0	111.5
18	P	37.5	Very low	27.9	Very low	100 Å²	100	137.6 Å²	137.6	65%	0.649	79%	0.785	S	S	*	*			trans	-101.8	-177.4	-179.6	40.8	-36.8	0	0	0	115
19	L	26.4	Very low	27.7	Very low	178 Å²	178	145.5 Å²	145.5	93%	0.932	80%	0.796	S	S	*	*			trans	-132.2	167.4	161	-128.9	104.8	0	0	0	112.7
20	V	27	Very low	27.7	Very low	109 Å²	109	148.3 Å²	148.3	66%	0.661	79%	0.791	S	S	*	*			trans	-137.4	137.6	-150.2	167.5	0	0	0	0	113.2
21	R	25.2	Very low	27.7	Very low	226 Å²	226	154.8 Å²	154.8	85%	0.853	79%	0.791	S	S	*	*			trans	43.9	138.5	159.7	-69.6	170.6	175	177.1	-2.1	119.7
22	T	24.8	Very low	27.5	Very low	132 Å²	132	158.1 Å²	158.1	81%	0.81	80%	0.796	S	S	*	*				-152.5	137.7	111.8	-74.9	0	0	0	0	109.6
23	V	23.3	Very low	27.5	Very low	134 Å²	134	161 Å²	161	81%	0.812	80%	0.796	S	S	*	*			trans	-110.2	134.9	164.6	171.9	0	0	0	0	106.5
24	C	22.9	Very low	27.5	Very low	108 Å²	108	159.9 Å²	159.9	73%	0.73	80%	0.797	S	S	*	*			trans	-133.3	119.9	175	-165.5	0	0	0	0	110.6
25	V	24.6	Very low	27.8	Very low	128 Å²	128	158.7 Å²	158.7	78%	0.776	80%	0.803	S	S	*	*			trans	-110.4	126.2	172.7	174.9	0	0	0	0	107.5
26	R	24.1	Very low	27.7	Very low	238 Å²	238	154.4 Å²	154.4	90%	0.898	81%	0.805	S	S	*	*			trans	-142.9	136.7	162.5	-81.1	-164.4	171.3	174.8	-1.7	112
27	S	24.1	Very low	27.8	Very low	111 Å²	111	154.5 Å²	154.5	78%	0.776	81%	0.807	S	S	*	*			trans	-132.7	-173.5	166.5	65.3	0	0	0	0	107.9
28	P	40.8	Very low	27.5	Very low	118 Å²	118	156.8 Å²	156.8	77%	0.766	81%	0.814	S	S	*	*				-105.8	166.9	-101.4	38.5	-29.4	0	0	0	113.8
29	R	25.3	Very low	27	Very low	255 Å²	255	160.5 Å²	160.5	96%	0.962	82%	0.82	S	S	*	*			trans	-140.9	161.2	162.2	-101.5	-177.8	-178.4	-175	-0.1	112.3
30	Q	27.7	Very low	27.1	Very low	163 Å²	163	161.1 Å²	161.1	76%	0.762	82%	0.818	S	S	*	*			trans	-103.4	158.9	-160.4	-67.9	-178.9	-20.4	0	0	114.7
31	R	26.8	Very low	27	Very low	211 Å²	211	164.5 Å²	164.5	80%	0.796	82%	0.819	S	S	*	*			trans	49.2	121.5	143.5	-70	170.9	177.2	179.5	-0.7	119.4
32	N	25.2	Very low	27	Very low	165 Å²	165	165.8 Å²	165.8	88%	0.882	82%	0.824	S	S	*	*				-160	177.1	98.9	-104.3	-20.3	0	0	0	113
33	R	27.1	Very low	27	Very low	226 Å²	226	165 Å²	165	85%	0.853	81%	0.811	S	S	*	*			trans	-103.5	140.5	-165.6	-62.6	169.7	165.3	170.7	-7.3	113.3
34	L	27.4	Very low	27.1	Very low	161 Å²	161	164.8 Å²	164.8	84%	0.843	81%	0.81	S	S	*	*			trans	51.5	172.1	135.2	-68.1	170.9	0	0	0	120.2
35	P	39.4	Very low	27.9	Very low	125 Å²	125	164.9 Å²	164.9	81%	0.812	81%	0.808	S	S	*	*			cis	-121.8	-174.5	-13.1	39.3	-24.7	0	0	0	113.1
36	G	25.2	Very low	28.1	Very low	74 Å²	74	166 Å²	166	76%	0.763	81%	0.81	S	S	*	*			trans	142.6	109.6	153.2	0	0	0	0	0	116.5
37	N	27.8	Very low	28.2	Very low	154 Å²	154	162 Å²	162	82%	0.824	80%	0.801	S	S	*	*			trans	-88.1	149	164.3	-73.7	-19.3	0	0	0	110.4
38	L	26	Very low	28.4	Very low	177 Å²	177	165 Å²	165	93%	0.927	81%	0.807	S	S	*	*			trans	-149.6	148.6	145.4	-141.4	81.5	0	0	0	111.4
39	F	26.3	Very low	27.7	Very low	178 Å²	178	166.3 Å²	166.3	78%	0.781	80%	0.803	S	S	*	*			trans	-105.7	147.4	-179	-89	-104	0	0	0	111.9
40	Q	27.3	Very low	27.7	Very low	190 Å²	190	163.4 Å²	163.4	89%	0.888	80%	0.803	S	S	*	*			trans	-164.5	122.7	134.8	-104.1	159.3	7.3	0	0	108
41	R	26.3	Very low	27.7	Very low	181 Å²	181	160.9 Å²	160.9	68%	0.683	80%	0.799	S	S	*	*			cis	79.6	109.1	49.1	-91.5	-164.1	169	-153.4	1.2	115.3	H43	R41-H43 PolarHBondContact NH1-NE2 3.48Å
42	W	24.4	Very low	27.7	Very low	252 Å²	252	161 Å²	161	96%	0.955	80%	0.799	S	S	*	*			trans	-161.9	101.3	136.1	-79.5	94.1	0	0	0	104.7
43	H	25.3	Very low	27.7	Very low	116 Å²	116	160.3 Å²	160.3	54%	0.537	79%	0.791	S	S	.	*				63.2	112	80.8	-70	10.3	0	0	0	113.7	R41	R41-H43 PolarHBondContact NH1-NE2 3.48Å
44	V	26.1	Very low	27.6	Very low	130 Å²	130	158.6 Å²	158.6	79%	0.788	80%	0.795	S	S	*	*			cis	80	138.9	49.2	174	0	0	0	0	110.8
45	P	38	Very low	27.6	Very low	109 Å²	109	155.6 Å²	155.6	71%	0.708	79%	0.793	S	S	*	*			cis	-115.6	-156.7	20.5	37.2	-17.2	0	0	0	113.7
46	L	29.7	Very low	27	Very low	153 Å²	153	155.4 Å²	155.4	80%	0.801	80%	0.795	S	S	*	*			cis	-148.6	-149.9	12.1	-162.2	50.4	0	0	0	112.7
47	E	26.9	Very low	27.1	Very low	152 Å²	152	157.1 Å²	157.1	71%	0.71	80%	0.795	S	S	*	*			trans	-101.3	160.7	-161.2	-58.7	171.2	120	0	0	116.2
48	L	26.5	Very low	27.2	Very low	174 Å²	174	153.8 Å²	153.8	91%	0.911	80%	0.797	S	S	*	*			trans	-142.6	142.9	131	-134.3	160.4	0	0	0	108.6
49	Q	26.4	Very low	27.2	Very low	147 Å²	147	150 Å²	150	69%	0.687	79%	0.791	S	S	*	*			trans	-79.1	136.4	-160.1	-64.4	174.2	-21.3	0	0	114.5
50	M	25.9	Very low	27.5	Very low	194 Å²	194	147.4 Å²	147.4	96%	0.956	80%	0.795	S	S	*	*			trans	-94.9	132.3	155.6	-72.9	-173.6	108.1	0	0	109.7
51	T	27.6	Very low	28.1	Very low	109 Å²	109	142.5 Å²	142.5	67%	0.669	80%	0.795	S	S	*	*			trans	-134.1	112.5	178.3	30.5	0	0	0	0	112.8
52	R	26.8	Very low	28.4	Very low	215 Å²	215	137.1 Å²	137.1	81%	0.811	80%	0.796	S	S	*	*			trans	65.9	153.2	146.5	-63.2	-179.4	170.8	-150.2	3.4	117.6
53	Q	26.2	Very low	29.1	Very low	149 Å²	149	135.3 Å²	135.3	70%	0.696	80%	0.795	S	S	*	*			cis	-162.3	149.8	-20.5	-117	167.4	-44.6	0	0	106.8
54	M	24	Very low	29.7	Very low	191 Å²	191	136.5 Å²	136.5	94%	0.941	80%	0.804	S	S	*	*			trans	179.7	87.5	141.2	-98.1	-57.5	178	0	0	108
55	A	27.1	Very low	30.8	Very low	97 Å²	97	135.4 Å²	135.4	80%	0.802	79%	0.794	S	S	*	*			trans	-113.6	112.6	165.2	0	0	0	0	0	106.8	S57	A55-S57 PolarHBondContact O-N 2.98Å
56	S	26.3	Very low	31.2	Very low	122 Å²	122	136 Å²	136	85%	0.853	79%	0.791	S	S	*	*			trans	-78.8	103.5	176.3	53.6	0	0	0	0	109.6
57	S	28.5	Very low	31.9	Very low	110 Å²	110	131.7 Å²	131.7	77%	0.769	77%	0.774	S	S	*	*			trans	-59.1	134.9	167.3	50.6	0	0	0	0	110.8	A55	A55-S57 PolarHBondContact O-N 2.98Å
58	G	29.6	Very low	32.9	Very low	84 Å²	84	128.4 Å²	128.4	87%	0.866	76%	0.764	S	S	*	*			trans	-62.7	137.8	169.9	0	0	0	0	0	111.4
59	A	26.9	Very low	33.6	Very low	97 Å²	97	124.8 Å²	124.8	80%	0.802	75%	0.745	S	S	*	*			trans	-135	155.9	172.5	0	0	0	0	0	109.8
60	S	31.1	Very low	35	Very low	123 Å²	123	122.8 Å²	122.8	86%	0.86	74%	0.743	S	S	*	*			trans	-66.5	151.6	-170.6	51.1	0	0	0	0	114.1
61	G	41.1	Very low	36.2	Very low	87 Å²	87	118.9 Å²	118.9	90%	0.897	73%	0.725	S	S	*	*			trans	-59.1	133.1	-170	0	0	0	0	0	115.9
62	G	31.2	Very low	37.1	Very low	68 Å²	68	118.7 Å²	118.7	70%	0.701	72%	0.719	S	S	*	*			trans	-127	144.6	157.4	0	0	0	0	0	108.8	I64	G62-I64 PolarHBondContact O-N 3.48Å
63	K	39	Very low	38.4	Very low	215 Å²	215	112.4 Å²	112.4	94%	0.935	70%	0.704	S	S	*	*			trans	-70	114	178	-70.7	-179.2	177.2	179.8	0	109.6
64	I	39.5	Very low	39.3	Very low	141 Å²	141	106.8 Å²	106.8	72%	0.723	69%	0.686	S	S	*	*			trans	-76.1	129.8	163.1	-62.5	175.2	0	0	0	107.1	G62	G62-I64 PolarHBondContact O-N 3.48Å
65	D	48.4	Very low	40.4	Very low	107 Å²	107	103.3 Å²	103.3	57%	0.572	67%	0.671	S	S	*	*			trans	-81.7	132.7	-175.9	-169.6	20	0	0	0	111.5	S67 V68	D65-S67 PolarHBondContact O-N 2.85Å; D65-S67 VanDerWaalsContact O-N 3.14Å; D65-S67 PolarHBondContact OD2-OG 2.69Å; D65-V68 PolarHBondContact O-N 2.89Å
66	N	47	Very low	41.4	Very low	121 Å²	121	102.2 Å²	102.2	65%	0.647	66%	0.657	S	S	*	*	H	α-helix	trans	-61.9	-25.7	-174.2	-91.5	-11.2	0	0	0	112.5	V68 L69 V70	N66-V68 VanDerWaalsContact C-N 3.27Å; N66-V68 PolarHBondContact O-N 2.95Å; N66-L69 PolarHBondContact O-N 3.13Å; N66-V70 WeakPolarHBondContact O-CG2 3.14Å; N66-V70 PolarHBondContact O-N 3.18Å; N66-V70 VanDerWaalsContact O-N 3.12Å
67	S	44.3	Very low	42.5	Very low	63 Å²	63	100.6 Å²	100.6	44%	0.441	64%	0.642	S	S	.	*	H	α-helix	trans	-51.4	-42.5	175	58.7	0	0	0	0	112.9	D65 L71	D65-S67 PolarHBondContact O-N 2.85Å; D65-S67 VanDerWaalsContact O-N 3.14Å; D65-S67 PolarHBondContact OD2-OG 2.69Å; S67-L71 WeakPolarHBondContact O-CB 3.43Å; S67-L71 PolarHBondContact O-N 2.91Å; S67-L71 VanDerWaalsContact O-N 3.12Å
68	V	46.5	Very low	44.1	Very low	83 Å²	83	99.8 Å²	99.8	50%	0.503	63%	0.632	S	S	.	*	H	α-helix	trans	-72.8	-40.2	-176.4	-177.7	0	0	0	0	111.7	D65 N66 L71 I72	D65-V68 PolarHBondContact O-N 2.89Å; N66-V68 VanDerWaalsContact C-N 3.27Å; N66-V68 PolarHBondContact O-N 2.95Å; V68-L71 PolarHBondContact O-N 2.67Å; V68-I72 HydrophobicContact CG1-CD1 4.07Å; V68-I72 WeakPolarHBondContact O-CG1 3.46Å; V68-I72 PolarHBondContact O-N 3.35Å
69	L	42.6	Very low	45.3	Very low	98 Å²	98	97.8 Å²	97.8	51%	0.513	61%	0.612	S	S	.	*	H	α-helix	trans	-64.6	-43.4	176.9	-99	162.7	0	0	0	111.7	N66 L71 I72 V73	N66-L69 PolarHBondContact O-N 3.13Å; L69-L71 VanDerWaalsContact C-N 3.29Å; L69-L71 PolarHBondContact O-N 2.69Å; L69-I72 PolarHBondContact O-N 2.82Å; L69-V73 WeakPolarHBondContact O-CG2 3.33Å; L69-V73 PolarHBondContact O-N 3.11Å
70	V	54.8	Low	46.4	Very low	105 Å²	105	96.1 Å²	96.1	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-60.6	-39.5	174.2	172.1	0	0	0	0	111.2	N66 G74	N66-V70 WeakPolarHBondContact O-CG2 3.14Å; N66-V70 PolarHBondContact O-N 3.18Å; N66-V70 VanDerWaalsContact O-N 3.12Å; V70-G74 PolarHBondContact O-N 3.49Å
71	L	51.2	Low	47.6	Very low	111 Å²	111	92.3 Å²	92.3	58%	0.581	58%	0.578	S	S	*	*	H	α-helix	trans	-69.3	-40.3	-179.2	-156.6	154.3	0	0	0	112	S67 V68 L69 G74 L75	S67-L71 WeakPolarHBondContact O-CB 3.43Å; S67-L71 PolarHBondContact O-N 2.91Å; S67-L71 VanDerWaalsContact O-N 3.12Å; V68-L71 PolarHBondContact O-N 2.67Å; L69-L71 VanDerWaalsContact C-N 3.29Å; L69-L71 PolarHBondContact O-N 2.69Å; L71-G74 PolarHBondContact O-N 2.89Å; L71-L75 HydrophobicContact CD2-CD1 3.67Å; L71-L75 HydrophobicContact CD2-CG 4.19Å; L71-L75 WeakPolarHBondContact O-CG 3.19Å; L71-L75 PolarHBondContact O-N 3.2Å
72	I	47.6	Very low	48.5	Very low	106 Å²	106	92.5 Å²	92.5	54%	0.544	56%	0.562	S	S	.	*	H	α-helix	trans	-64.3	-45.1	174.9	-67.9	167.1	0	0	0	111.3	V68 L69 L75 S76	V68-I72 HydrophobicContact CG1-CD1 4.07Å; V68-I72 WeakPolarHBondContact O-CG1 3.46Å; V68-I72 PolarHBondContact O-N 3.35Å; L69-I72 PolarHBondContact O-N 2.82Å; I72-L75 PolarHBondContact O-N 3.12Å; I72-S76 PolarHBondContact O-N 2.95Å; I72-S76 VanDerWaalsContact O-N 3.15Å
73	V	52.7	Low	49.8	Very low	82 Å²	82	97.6 Å²	97.6	50%	0.497	56%	0.561	S	S	.	*	H	α-helix	trans	-67.4	-38.2	177	174.8	0	0	0	0	111.5	L69 S76 T77	L69-V73 WeakPolarHBondContact O-CG2 3.33Å; L69-V73 PolarHBondContact O-N 3.11Å; V73-S76 PolarHBondContact O-N 3.24Å; V73-S76 PolarHBondContact O-OG 3.05Å; V73-T77 WeakPolarHBondContact O-CG2 3.28Å; V73-T77 PolarHBondContact O-N 2.85Å; V73-T77 VanDerWaalsContact O-N 3.08Å; V73-T77 PolarHBondContact O-OG1 3.04Å
74	G	46.9	Very low	50.3	Low	32 Å²	32	89.6 Å²	89.6	33%	0.33	54%	0.535	S	S	.	.	H	α-helix	trans	-61.7	-44.2	175.2	0	0	0	0	0	112.6	V70 L71 T77 V78	V70-G74 PolarHBondContact O-N 3.49Å; L71-G74 PolarHBondContact O-N 2.89Å; G74-T77 PolarHBondContact O-OG1 3.49Å; G74-V78 VanDerWaalsContact O-CG2 3.32Å; G74-V78 WeakPolarHBondContact O-CG2 3.42Å; G74-V78 PolarHBondContact O-N 3.3Å; G74-V78 VanDerWaalsContact O-N 3.08Å
75	L	45.4	Very low	51.6	Low	117 Å²	117	89.7 Å²	89.7	61%	0.613	53%	0.527	S	S	*	.	H	α-helix	trans	-65.4	-38.6	176.4	-72.6	174.3	0	0	0	112.7	L71 I72 G79	L71-L75 HydrophobicContact CD2-CD1 3.67Å; L71-L75 HydrophobicContact CD2-CG 4.19Å; L71-L75 WeakPolarHBondContact O-CG 3.19Å; L71-L75 PolarHBondContact O-N 3.2Å; I72-L75 PolarHBondContact O-N 3.12Å; L75-G79 PolarHBondContact O-N 2.92Å
76	S	48.3	Very low	52.3	Low	75 Å²	75	90.1 Å²	90.1	52%	0.524	52%	0.524	S	S	.	.	H	α-helix	trans	-69.6	-38.7	180	69.5	0	0	0	0	112.9	I72 V73 G79 A80	I72-S76 PolarHBondContact O-N 2.95Å; I72-S76 VanDerWaalsContact O-N 3.15Å; V73-S76 PolarHBondContact O-N 3.24Å; V73-S76 PolarHBondContact O-OG 3.05Å; S76-G79 PolarHBondContact O-N 2.92Å; S76-A80 PolarHBondContact O-N 3.42Å
77	T	50.1	Low	52.8	Low	87 Å²	87	87 Å²	87	53%	0.534	51%	0.509	S	S	.	.	H	α-helix	trans	-69.4	-38.6	175.7	52	0	0	0	0	112.7	V73 G74 A80 G81	V73-T77 WeakPolarHBondContact O-CG2 3.28Å; V73-T77 PolarHBondContact O-N 2.85Å; V73-T77 VanDerWaalsContact O-N 3.08Å; V73-T77 PolarHBondContact O-OG1 3.04Å; G74-T77 PolarHBondContact O-OG1 3.49Å; T77-A80 PolarHBondContact O-N 2.89Å; T77-G81 PolarHBondContact O-N 3.41Å
78	V	61.8	Low	53.4	Low	93 Å²	93	89.6 Å²	89.6	56%	0.564	52%	0.517	S	S	*	.	H	α-helix	trans	-62.9	-43.2	171.2	170.5	0	0	0	0	111.2	G74 A80 G81 V82	G74-V78 VanDerWaalsContact O-CG2 3.32Å; G74-V78 WeakPolarHBondContact O-CG2 3.42Å; G74-V78 PolarHBondContact O-N 3.3Å; G74-V78 VanDerWaalsContact O-N 3.08Å; V78-A80 PolarHBondContact O-N 2.9Å; V78-G81 PolarHBondContact O-N 3.5Å; V78-V82 HydrophobicContact CG1-CG2 4.35Å; V78-V82 WeakPolarHBondContact O-CG2 3.28Å; V78-V82 PolarHBondContact O-N 2.83Å
79	G	54.5	Low	54.3	Low	42 Å²	42	90.4 Å²	90.4	43%	0.433	51%	0.514	S	S	.	.	H	α-helix	trans	-58.4	-45.8	175.4	0	0	0	0	0	113	L75 S76 V82 Y83	L75-G79 PolarHBondContact O-N 2.92Å; S76-G79 PolarHBondContact O-N 2.92Å; G79-V82 PolarHBondContact O-N 2.97Å; G79-Y83 WeakPolarHBondContact O-CB 3.2Å; G79-Y83 PolarHBondContact O-N 2.66Å
80	A	50.8	Low	55.4	Low	62 Å²	62	90 Å²	90	51%	0.512	51%	0.509	S	S	.	.	H	α-helix	trans	-63.7	-41.1	175.7	0	0	0	0	0	112.6	S76 T77 V78 Y83 A84	S76-A80 PolarHBondContact O-N 3.42Å; T77-A80 PolarHBondContact O-N 2.89Å; V78-A80 PolarHBondContact O-N 2.9Å; A80-Y83 PolarHBondContact O-N 3.07Å; A80-A84 WeakPolarHBondContact O-CB 3.5Å; A80-A84 PolarHBondContact O-N 2.97Å
81	G	55.1	Low	55.4	Low	43 Å²	43	88.7 Å²	88.7	44%	0.443	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-42.3	176.6	0	0	0	0	0	113.3	T77 V78 A84 Y85	T77-G81 PolarHBondContact O-N 3.41Å; V78-G81 PolarHBondContact O-N 3.5Å; G81-A84 PolarHBondContact O-N 2.88Å; G81-Y85 WeakPolarHBondContact O-CB 3.42Å; G81-Y85 PolarHBondContact O-N 3.4Å
82	V	61.6	Low	55.7	Low	91 Å²	91	89.1 Å²	89.1	55%	0.552	50%	0.498	S	S	*	.	H	α-helix	trans	-65.3	-40.9	175.4	170.5	0	0	0	0	111.2	V78 G79 K86	V78-V82 HydrophobicContact CG1-CG2 4.35Å; V78-V82 WeakPolarHBondContact O-CG2 3.28Å; V78-V82 PolarHBondContact O-N 2.83Å; G79-V82 PolarHBondContact O-N 2.97Å; V82-K86 WeakPolarHBondContact O-CB 3.27Å; V82-K86 PolarHBondContact O-N 3Å
83	Y	57.3	Low	56.2	Low	176 Å²	176	90.5 Å²	90.5	69%	0.69	50%	0.5	S	S	*	.	H	α-helix	trans	-60.8	-52.8	174.6	-177	-98.1	0	0	0	111.3	G79 A80 Y85 K86 T87	G79-Y83 WeakPolarHBondContact O-CB 3.2Å; G79-Y83 PolarHBondContact O-N 2.66Å; A80-Y83 PolarHBondContact O-N 3.07Å; Y83-Y85 PolarHBondContact O-N 2.63Å; Y83-K86 PolarHBondContact O-N 3.33Å; Y83-K86 VanDerWaalsContact O-N 3.11Å; Y83-T87 PolarHBondContact O-N 3.36Å; Y83-T87 PolarHBondContact O-OG1 3.19Å; Y83-T87 VanDerWaalsContact O-OG1 3.13Å
84	A	49.8	Very low	56.7	Low	46 Å²	46	93.1 Å²	93.1	38%	0.38	50%	0.501	S	S	.	.	H	α-helix	trans	-59.4	-44.3	179.4	0	0	0	0	0	112.7	A80 G81 K86 T87 I88	A80-A84 WeakPolarHBondContact O-CB 3.5Å; A80-A84 PolarHBondContact O-N 2.97Å; G81-A84 PolarHBondContact O-N 2.88Å; A84-K86 VanDerWaalsContact C-N 3.32Å; A84-K86 PolarHBondContact O-N 2.8Å; A84-T87 PolarHBondContact O-N 3.02Å; A84-I88 WeakPolarHBondContact O-CB 3.3Å; A84-I88 WeakPolarHBondContact O-CD1 3.22Å; A84-I88 VanDerWaalsContact O-CG1 3.26Å; A84-I88 WeakPolarHBondContact O-CG1 3.29Å; A84-I88 PolarHBondContact O-N 2.74Å
85	Y	68.1	Low	57.2	Low	143 Å²	143	98.7 Å²	98.7	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-60.3	-41.1	175	176.5	-100.6	0	0	0	112.1	G81 Y83 K89	G81-Y85 WeakPolarHBondContact O-CB 3.42Å; G81-Y85 PolarHBondContact O-N 3.4Å; Y83-Y85 PolarHBondContact O-N 2.63Å; Y85-K89 HydrophobicContact CE1-CD 3.85Å; Y85-K89 VanDerWaalsContact O-CB 3.28Å; Y85-K89 WeakPolarHBondContact O-CB 3.48Å; Y85-K89 PolarHBondContact O-N 3.48Å; Y85-K89 PolarHBondContact OH-NZ 3.05Å
86	K	61.6	Low	57.9	Low	116 Å²	116	97 Å²	97	50%	0.504	51%	0.505	S	S	.	.	H	α-helix	trans	-66.3	-44.8	178.4	-166.7	174.3	-173.4	-81.9	0	111.5	V82 Y83 A84 K89 E90	V82-K86 WeakPolarHBondContact O-CB 3.27Å; V82-K86 PolarHBondContact O-N 3Å; Y83-K86 PolarHBondContact O-N 3.33Å; Y83-K86 VanDerWaalsContact O-N 3.11Å; A84-K86 VanDerWaalsContact C-N 3.32Å; A84-K86 PolarHBondContact O-N 2.8Å; K86-K89 PolarHBondContact O-N 2.62Å; K86-E90 WeakPolarHBondContact CE-OE1 3.07Å; K86-E90 WeakPolarHBondContact CG-OE1 3.42Å; K86-E90 IonicContact NZ-OE1 3.93Å; K86-E90 PolarHBondContact NZ-OE1 2.85Å; K86-E90 IonicContact NZ-OE2 3.24Å; K86-E90 WeakPolarHBondContact O-CB 3.47Å; K86-E90 WeakPolarHBondContact O-CG 2.76Å; K86-E90 PolarHBondContact O-N 2.89Å
87	T	58.9	Low	58.7	Low	55 Å²	55	99.1 Å²	99.1	34%	0.337	51%	0.506	S	S	.	.	H	α-helix	trans	-59.4	-50	175.5	-52.8	0	0	0	0	111.5	Y83 A84 K89 E90 D91	Y83-T87 PolarHBondContact O-N 3.36Å; Y83-T87 PolarHBondContact O-OG1 3.19Å; Y83-T87 VanDerWaalsContact O-OG1 3.13Å; A84-T87 PolarHBondContact O-N 3.02Å; T87-K89 VanDerWaalsContact C-N 3.28Å; T87-K89 PolarHBondContact O-N 2.78Å; T87-E90 PolarHBondContact O-N 3.13Å; T87-D91 PolarHBondContact O-N 3.49Å
88	I	55.8	Low	59.1	Low	118 Å²	118	104.1 Å²	104.1	61%	0.605	52%	0.515	S	S	*	.	H	α-helix	trans	-58.1	-41.4	179.1	-69	164.8	0	0	0	111.2	A84 D91 E92	A84-I88 WeakPolarHBondContact O-CB 3.3Å; A84-I88 WeakPolarHBondContact O-CD1 3.22Å; A84-I88 VanDerWaalsContact O-CG1 3.26Å; A84-I88 WeakPolarHBondContact O-CG1 3.29Å; A84-I88 PolarHBondContact O-N 2.74Å; I88-D91 PolarHBondContact O-N 3.32Å; I88-E92 WeakPolarHBondContact O-CB 3.34Å; I88-E92 PolarHBondContact O-N 2.91Å
89	K	64.8	Low	58.6	Low	100 Å²	100	103.5 Å²	103.5	44%	0.435	51%	0.508	S	S	.	.	H	α-helix	trans	-73.6	-30.2	180	-167.9	170.7	-168	167.4	0	113.6	Y85 K86 T87 K93	Y85-K89 HydrophobicContact CE1-CD 3.85Å; Y85-K89 VanDerWaalsContact O-CB 3.28Å; Y85-K89 WeakPolarHBondContact O-CB 3.48Å; Y85-K89 PolarHBondContact O-N 3.48Å; Y85-K89 PolarHBondContact OH-NZ 3.05Å; K86-K89 PolarHBondContact O-N 2.62Å; T87-K89 VanDerWaalsContact C-N 3.28Å; T87-K89 PolarHBondContact O-N 2.78Å; K89-K93 PolarHBondContact O-N 3.33Å; K89-K93 VanDerWaalsContact O-N 3.17Å
90	E	65.8	Low	58.6	Low	90 Å²	90	105.7 Å²	105.7	42%	0.421	52%	0.517	S	S	.	.	H	α-helix	trans	-74.2	-36.9	173.5	-75.6	173.6	-174.5	0	0	111.4	K86 T87 K93 R94	K86-E90 WeakPolarHBondContact CE-OE1 3.07Å; K86-E90 WeakPolarHBondContact CG-OE1 3.42Å; K86-E90 IonicContact NZ-OE1 3.93Å; K86-E90 PolarHBondContact NZ-OE1 2.85Å; K86-E90 IonicContact NZ-OE2 3.24Å; K86-E90 WeakPolarHBondContact O-CB 3.47Å; K86-E90 WeakPolarHBondContact O-CG 2.76Å; K86-E90 PolarHBondContact O-N 2.89Å; T87-E90 PolarHBondContact O-N 3.13Å; E90-K93 PolarHBondContact O-N 3.37Å; E90-R94 WeakPolarHBondContact O-CB 3.37Å; E90-R94 PolarHBondContact O-N 2.93Å
91	D	56.3	Low	58.7	Low	78 Å²	78	106 Å²	106	42%	0.417	53%	0.526	S	S	.	.	H	α-helix	trans	-71.6	-36.9	172.2	-77.8	-28.3	0	0	0	112.8	T87 I88 K93 R94 Y95	T87-D91 PolarHBondContact O-N 3.49Å; I88-D91 PolarHBondContact O-N 3.32Å; D91-K93 VanDerWaalsContact C-N 3.32Å; D91-K93 PolarHBondContact O-N 3.05Å; D91-R94 PolarHBondContact O-N 2.9Å; D91-R94 IonicContact OD1-NH1 2.77Å; D91-R94 PolarHBondContact OD1-NH1 3.4Å; D91-R94 VanDerWaalsContact OD1-NH1 3.09Å; D91-Y95 WeakPolarHBondContact O-CB 3.4Å; D91-Y95 PolarHBondContact O-N 2.68Å
92	E	56.4	Low	58.6	Low	119 Å²	119	109.6 Å²	109.6	56%	0.556	53%	0.534	S	S	*	.	H	α-helix	trans	-59.5	-42.8	171.5	-177.9	-178.4	-159.1	0	0	111.4	I88 N96	I88-E92 WeakPolarHBondContact O-CB 3.34Å; I88-E92 PolarHBondContact O-N 2.91Å; E92-N96 WeakPolarHBondContact O-CB 3.22Å; E92-N96 PolarHBondContact O-N 3.07Å; E92-N96 PolarHBondContact O-ND2 3.14Å
93	K	59.3	Low	58	Low	135 Å²	135	108.3 Å²	108.3	59%	0.587	54%	0.54	S	S	*	.	H	α-helix	trans	-60.9	-52.3	171.5	-88.7	-167	164.9	-159	0	111.9	K89 E90 D91 Y95 N96 E97	K89-K93 PolarHBondContact O-N 3.33Å; K89-K93 VanDerWaalsContact O-N 3.17Å; E90-K93 PolarHBondContact O-N 3.37Å; D91-K93 VanDerWaalsContact C-N 3.32Å; D91-K93 PolarHBondContact O-N 3.05Å; K93-Y95 PolarHBondContact O-N 3.5Å; K93-N96 PolarHBondContact O-N 2.89Å; K93-N96 VanDerWaalsContact O-N 3.07Å; K93-E97 WeakPolarHBondContact O-CB 3.41Å; K93-E97 WeakPolarHBondContact O-CG 3.38Å; K93-E97 PolarHBondContact O-N 3.05Å
94	R	62.5	Low	58	Low	138 Å²	138	103.7 Å²	103.7	52%	0.521	53%	0.527	S	S	.	.	H	α-helix	trans	-61.4	-32.1	-177.5	-174.4	-178.2	-76.2	150.7	-11.6	112.6	E90 D91 R98	E90-R94 WeakPolarHBondContact O-CB 3.37Å; E90-R94 PolarHBondContact O-N 2.93Å; D91-R94 PolarHBondContact O-N 2.9Å; D91-R94 IonicContact OD1-NH1 2.77Å; D91-R94 PolarHBondContact OD1-NH1 3.4Å; D91-R94 VanDerWaalsContact OD1-NH1 3.09Å; R94-R98 VanDerWaalsContact O-CG 3.31Å; R94-R98 WeakPolarHBondContact O-CG 3.23Å; R94-R98 PolarHBondContact O-N 2.78Å
95	Y	57	Low	58.7	Low	148 Å²	148	104.8 Å²	104.8	58%	0.58	53%	0.528	S	S	*	.	H	α-helix	trans	-67.4	-52.6	170	175.7	-98.6	0	0	0	111.4	D91 K93 E97 R98 I99	D91-Y95 WeakPolarHBondContact O-CB 3.4Å; D91-Y95 PolarHBondContact O-N 2.68Å; K93-Y95 PolarHBondContact O-N 3.5Å; Y95-E97 VanDerWaalsContact C-N 3.32Å; Y95-E97 PolarHBondContact O-N 2.65Å; Y95-R98 PolarHBondContact O-N 3.35Å; Y95-R98 VanDerWaalsContact O-N 3.17Å; Y95-I99 HydrophobicContact CD1-CG1 4.45Å; Y95-I99 HydrophobicContact CE1-CG1 4.09Å; Y95-I99 HydrophobicContact CE2-CD1 4.5Å; Y95-I99 HydrophobicContact CE2-CG1 4.21Å; Y95-I99 WeakPolarHBondContact O-CG1 3.45Å; Y95-I99 PolarHBondContact O-N 3.41Å
96	N	59.5	Low	57.9	Low	83 Å²	83	102.6 Å²	102.6	44%	0.444	53%	0.532	S	S	.	.	H	α-helix	trans	-64.3	-33.6	-178.7	-76.6	-51.9	0	0	0	113.2	E92 K93 I99 S100	E92-N96 WeakPolarHBondContact O-CB 3.22Å; E92-N96 PolarHBondContact O-N 3.07Å; E92-N96 PolarHBondContact O-ND2 3.14Å; K93-N96 PolarHBondContact O-N 2.89Å; K93-N96 VanDerWaalsContact O-N 3.07Å; N96-I99 PolarHBondContact O-N 2.58Å; N96-S100 WeakPolarHBondContact O-CB 3.42Å; N96-S100 PolarHBondContact O-N 3.11Å; N96-S100 PolarHBondContact O-OG 2.84Å
97	E	65.9	Low	57.2	Low	119 Å²	119	104.5 Å²	104.5	56%	0.556	54%	0.543	S	S	*	.	H	α-helix	trans	-67.3	-39.2	173.3	-73.5	166.9	-174.1	0	0	112.1	K93 Y95 I99 S100 G101	K93-E97 WeakPolarHBondContact O-CB 3.41Å; K93-E97 WeakPolarHBondContact O-CG 3.38Å; K93-E97 PolarHBondContact O-N 3.05Å; Y95-E97 VanDerWaalsContact C-N 3.32Å; Y95-E97 PolarHBondContact O-N 2.65Å; E97-I99 VanDerWaalsContact C-N 3.33Å; E97-I99 PolarHBondContact O-N 2.86Å; E97-S100 PolarHBondContact O-OG 2.89Å; E97-G101 PolarHBondContact O-N 3.12Å; E97-G101 VanDerWaalsContact O-N 3.1Å
98	R	58.6	Low	56.6	Low	191 Å²	191	106.2 Å²	106.2	72%	0.721	55%	0.547	S	S	*	.	H	α-helix	trans	-67	-32.2	172.6	-76.7	175.3	172.3	-168.3	-2.9	112.8	R94 Y95	R94-R98 VanDerWaalsContact O-CG 3.31Å; R94-R98 WeakPolarHBondContact O-CG 3.23Å; R94-R98 PolarHBondContact O-N 2.78Å; Y95-R98 PolarHBondContact O-N 3.35Å; Y95-R98 VanDerWaalsContact O-N 3.17Å
99	I	51.3	Low	56.5	Low	81 Å²	81	106.6 Å²	106.6	42%	0.415	54%	0.544	S	S	.	.	H	α-helix	trans	-80.4	-36.6	177.8	-66.1	-64.1	0	0	0	112	Y95 N96 E97 L102	Y95-I99 HydrophobicContact CD1-CG1 4.45Å; Y95-I99 HydrophobicContact CE1-CG1 4.09Å; Y95-I99 HydrophobicContact CE2-CD1 4.5Å; Y95-I99 HydrophobicContact CE2-CG1 4.21Å; Y95-I99 WeakPolarHBondContact O-CG1 3.45Å; Y95-I99 PolarHBondContact O-N 3.41Å; N96-I99 PolarHBondContact O-N 2.58Å; E97-I99 VanDerWaalsContact C-N 3.33Å; E97-I99 PolarHBondContact O-N 2.86Å; I99-L102 PolarHBondContact O-N 3.46Å
100	S	53.5	Low	55.5	Low	88 Å²	88	109.3 Å²	109.3	62%	0.615	56%	0.558	S	S	*	*	H	α-helix	trans	-70.7	-35.7	177.2	66	0	0	0	0	112.4	N96 E97 L102 G103	N96-S100 WeakPolarHBondContact O-CB 3.42Å; N96-S100 PolarHBondContact O-N 3.11Å; N96-S100 PolarHBondContact O-OG 2.84Å; E97-S100 PolarHBondContact O-OG 2.89Å; S100-L102 PolarHBondContact O-N 2.97Å; S100-G103 PolarHBondContact O-N 3.24Å
101	G	52.6	Low	54.2	Low	68 Å²	68	113.1 Å²	113.1	70%	0.701	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-9.5	174.3	0	0	0	0	0	115.6	E97	E97-G101 PolarHBondContact O-N 3.12Å; E97-G101 VanDerWaalsContact O-N 3.1Å
102	L	54	Low	53.5	Low	118 Å²	118	116.5 Å²	116.5	62%	0.618	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-7.7	177.6	-70.5	169.5	0	0	0	114.3	I99 S100 L104	I99-L102 PolarHBondContact O-N 3.46Å; S100-L102 PolarHBondContact O-N 2.97Å; L102-L104 VanDerWaalsContact C-N 3.26Å; L102-L104 PolarHBondContact O-N 2.91Å
103	G	49.3	Very low	52.8	Low	65 Å²	65	114.2 Å²	114.2	67%	0.67	59%	0.586	S	S	*	*			trans	64.1	12.4	166	0	0	0	0	0	118.1	S100	S100-G103 PolarHBondContact O-N 3.24Å
104	L	56.8	Low	51.7	Low	79 Å²	79	111 Å²	111	41%	0.414	59%	0.585	S	S	.	*			trans	-81	130.4	-172.7	-62.5	178.7	0	0	0	114.1	L102 Q108 K109	L102-L104 VanDerWaalsContact C-N 3.26Å; L102-L104 PolarHBondContact O-N 2.91Å; L104-Q108 VanDerWaalsContact CA-OE1 3.31Å; L104-Q108 HydrophobicContact CB-CB 4.34Å; L104-Q108 HydrophobicContact CD2-CB 4.37Å; L104-K109 WeakPolarHBondContact O-CE 3.3Å
105	T	64	Low	50.3	Low	68 Å²	68	107.9 Å²	107.9	42%	0.417	58%	0.584	S	S	.	*			trans	-72.7	159.7	176.2	62.9	0	0	0	0	112.2	E107 Q108 K109	T105-E107 VanDerWaalsContact C-N 3.29Å; T105-E107 PolarHBondContact O-N 3.35Å; T105-Q108 WeakPolarHBondContact O-CB 3.36Å; T105-Q108 PolarHBondContact O-N 2.85Å; T105-Q108 VanDerWaalsContact O-N 3.07Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.5Å; T105-Q108 PolarHBondContact OG1-OE1 2.93Å; T105-K109 PolarHBondContact O-N 3.12Å
106	P	52	Low	49.4	Very low	98 Å²	98	105.2 Å²	105.2	64%	0.636	59%	0.587	S	S	*	*	H	α-helix	trans	-55.8	-36.8	-177.3	-28.1	36.8	0	0	0	114.9	K109 Q110	P106-K109 WeakPolarHBondContact O-CB 3.4Å; P106-K109 PolarHBondContact O-N 3.14Å; P106-Q110 PolarHBondContact O-N 3.3Å
107	E	46.3	Very low	48.3	Very low	156 Å²	156	105.5 Å²	105.5	73%	0.729	60%	0.601	S	S	*	*	H	α-helix	trans	-67.8	-36.5	177.8	-60.2	-179.4	139.1	0	0	112.1	T105 K109 Q110 K111	T105-E107 VanDerWaalsContact C-N 3.29Å; T105-E107 PolarHBondContact O-N 3.35Å; E107-K109 VanDerWaalsContact C-N 3.26Å; E107-K109 PolarHBondContact O-N 2.91Å; E107-Q110 PolarHBondContact O-N 2.95Å; E107-K111 PolarHBondContact O-N 3.17Å
108	Q	46.8	Very low	46.9	Very low	91 Å²	91	103.9 Å²	103.9	43%	0.425	60%	0.602	S	S	.	*	H	α-helix	trans	-65.3	-31.3	173.9	-67.6	171.2	-25.1	0	0	111.6	L104 T105 K112	L104-Q108 VanDerWaalsContact CA-OE1 3.31Å; L104-Q108 HydrophobicContact CB-CB 4.34Å; L104-Q108 HydrophobicContact CD2-CB 4.37Å; T105-Q108 WeakPolarHBondContact O-CB 3.36Å; T105-Q108 PolarHBondContact O-N 2.85Å; T105-Q108 VanDerWaalsContact O-N 3.07Å; T105-Q108 WeakPolarHBondContact OG1-CG 3.5Å; T105-Q108 PolarHBondContact OG1-OE1 2.93Å; Q108-K112 WeakPolarHBondContact O-CB 3.37Å; Q108-K112 PolarHBondContact O-N 2.84Å
109	K	53.1	Low	45.6	Very low	126 Å²	126	104.2 Å²	104.2	55%	0.548	61%	0.612	S	S	.	*	H	α-helix	trans	-64.4	-44.7	174	-58.5	176.6	-173.7	-179.4	0	111.4	L104 T105 P106 E107 A113	L104-K109 WeakPolarHBondContact O-CE 3.3Å; T105-K109 PolarHBondContact O-N 3.12Å; P106-K109 WeakPolarHBondContact O-CB 3.4Å; P106-K109 PolarHBondContact O-N 3.14Å; E107-K109 VanDerWaalsContact C-N 3.26Å; E107-K109 PolarHBondContact O-N 2.91Å; K109-A113 WeakPolarHBondContact O-CB 3.42Å; K109-A113 PolarHBondContact O-N 2.78Å
110	Q	45	Very low	45.2	Very low	156 Å²	156	104 Å²	104	73%	0.729	63%	0.631	S	S	*	*	H	α-helix	trans	-67.2	-44.6	175.3	-80	-174.4	-22.6	0	0	112.2	P106 E107 K112 A113 A114	P106-Q110 PolarHBondContact O-N 3.3Å; E107-Q110 PolarHBondContact O-N 2.95Å; Q110-K112 VanDerWaalsContact C-N 3.33Å; Q110-K112 PolarHBondContact O-N 3.23Å; Q110-A113 PolarHBondContact O-N 2.83Å; Q110-A114 PolarHBondContact O-N 3.48Å
111	K	38.6	Very low	44	Very low	170 Å²	170	108.6 Å²	108.6	74%	0.739	64%	0.642	S	S	*	*	H	α-helix	trans	-62.9	-38.7	-178.1	-133	173.8	-172.8	176.6	0	112.5	E107 A114 S115	E107-K111 PolarHBondContact O-N 3.17Å; K111-A114 PolarHBondContact O-N 3.06Å; K111-S115 PolarHBondContact O-N 3.24Å; K111-S115 VanDerWaalsContact O-N 3.07Å; K111-S115 PolarHBondContact O-OG 2.78Å
112	K	40.4	Very low	42.9	Very low	149 Å²	149	114 Å²	114	65%	0.648	65%	0.649	S	S	*	*	H	α-helix	trans	-74.8	-27.5	178.2	-152.9	174	-173	-177.7	0	113.5	Q108 Q110 S115	Q108-K112 WeakPolarHBondContact O-CB 3.37Å; Q108-K112 PolarHBondContact O-N 2.84Å; Q110-K112 VanDerWaalsContact C-N 3.33Å; Q110-K112 PolarHBondContact O-N 3.23Å; K112-S115 PolarHBondContact O-OG 2.67Å
113	A	42.1	Very low	42	Very low	71 Å²	71	114.5 Å²	114.5	59%	0.587	66%	0.657	S	S	*	*	H	α-helix	trans	-76.3	-22.5	171.8	0	0	0	0	0	113.3	K109 Q110 S116	K109-A113 WeakPolarHBondContact O-CB 3.42Å; K109-A113 PolarHBondContact O-N 2.78Å; Q110-A113 PolarHBondContact O-N 2.83Å; A113-S116 PolarHBondContact O-OG 3.45Å
114	A	37.2	Very low	41.6	Very low	68 Å²	68	116.7 Å²	116.7	56%	0.562	66%	0.659	S	S	*	*	H	α-helix	trans	-84.8	-34.2	173.9	0	0	0	0	0	112.8	Q110 K111 S116	Q110-A114 PolarHBondContact O-N 3.48Å; K111-A114 PolarHBondContact O-N 3.06Å; A114-S116 VanDerWaalsContact C-N 3.34Å; A114-S116 PolarHBondContact O-N 3.3Å
115	S	33.4	Very low	41.3	Very low	72 Å²	72	121.6 Å²	121.6	50%	0.503	68%	0.68	S	S	.	*	H	α-helix	trans	-72.2	-23.1	-179.7	60.7	0	0	0	0	114	K111 K112 A117	K111-S115 PolarHBondContact O-N 3.24Å; K111-S115 VanDerWaalsContact O-N 3.07Å; K111-S115 PolarHBondContact O-OG 2.78Å; K112-S115 PolarHBondContact O-OG 2.67Å; S115-A117 PolarHBondContact O-N 3.36Å; S115-A117 VanDerWaalsContact O-N 3.14Å
116	S	36.5	Very low	41.4	Very low	93 Å²	93	121.7 Å²	121.7	65%	0.65	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	18.9	177.7	62.5	0	0	0	0	114.2	A113 A114	A113-S116 PolarHBondContact O-OG 3.45Å; A114-S116 VanDerWaalsContact C-N 3.34Å; A114-S116 PolarHBondContact O-N 3.3Å
117	A	36.9	Very low	43.1	Very low	89 Å²	89	119.6 Å²	119.6	74%	0.736	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	0.9	-178.2	0	0	0	0	0	113.6	S115	S115-A117 PolarHBondContact O-N 3.36Å; S115-A117 VanDerWaalsContact O-N 3.14Å
118	S	35.8	Very low	45.4	Very low	84 Å²	84	113.8 Å²	113.8	59%	0.587	64%	0.641	S	S	*	*	S	Bend	trans	-148.9	144.1	-180	56.1	0	0	0	0	110.6
119	E	32.6	Very low	47.8	Very low	198 Å²	198	110 Å²	110	93%	0.925	62%	0.624	S	S	*	*	S	Bend	trans	70.9	140	-169.2	-52.2	-174.1	162.8	0	0	113.1
120	G	42.2	Very low	49.9	Very low	78 Å²	78	108.4 Å²	108.4	80%	0.804	63%	0.629	S	S	*	*			trans	-92.5	108.7	-173.1	0	0	0	0	0	111.1	E122	G120-E122 PolarHBondContact O-N 2.98Å
121	E	28.1	Very low	52.4	Low	183 Å²	183	104.8 Å²	104.8	86%	0.855	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-61.7	124.1	166	-67.6	-175.8	130.6	0	0	109.2	V123	E121-V123 PolarHBondContact O-N 3.06Å
122	E	29.7	Very low	55.3	Low	182 Å²	182	96.9 Å²	96.9	85%	0.85	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-62.5	125.3	170.2	-68.1	-169.6	125.3	0	0	108.9	G120 P124	G120-E122 PolarHBondContact O-N 2.98Å; E122-P124 WeakPolarHBondContact O-CD 3.22Å
123	V	36	Very low	58.1	Low	128 Å²	128	91 Å²	91	78%	0.776	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-58.8	123.4	172	-179.5	0	0	0	0	107.6	E121 Q125	E121-V123 PolarHBondContact O-N 3.06Å; V123-Q125 PolarHBondContact O-N 3.08Å
124	P	40.3	Very low	60.8	Low	112 Å²	112	88.1 Å²	88.1	73%	0.727	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-53.1	126.1	-179.9	-28	35.4	0	0	0	110.5	E122 D126	E122-P124 WeakPolarHBondContact O-CD 3.22Å; P124-D126 PolarHBondContact O-N 3.38Å
125	Q	50.8	Low	63.7	Low	182 Å²	182	84.9 Å²	84.9	85%	0.85	50%	0.502	S	S	*	.			trans	-68.5	103.8	178.1	-67.2	-170.1	9.7	0	0	109.1	V123 S127	V123-Q125 PolarHBondContact O-N 3.08Å; Q125-S127 PolarHBondContact O-N 2.69Å
126	D	65.4	Low	66.8	Low	70 Å²	70	81.4 Å²	81.4	37%	0.374	48%	0.478	S	S	.	.			trans	-49.2	105.2	170	-103.8	-60.1	0	0	0	109.2	P124 V128 A214 L228	P124-D126 PolarHBondContact O-N 3.38Å; D126-V128 PolarHBondContact O-N 3.26Å; D126-A214 HydrophobicContact CB-CB 4.09Å; D126-A214 PolarHBondContact OD1-N 2.66Å; D126-L228 HydrophobicContact CB-CD2 3.87Å
127	S	87.8	Confident	69.8	Low	53 Å²	53	77.3 Å²	77.3	37%	0.371	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-69.6	130.5	-175.5	56	0	0	0	0	109.9	Q125 P129 Q215	Q125-S127 PolarHBondContact O-N 2.69Å; S127-P129 WeakPolarHBondContact O-CD 3.43Å; S127-Q215 VanDerWaalsContact OG-CB 3.3Å; S127-Q215 WeakPolarHBondContact OG-CB 3.41Å; S127-Q215 VanDerWaalsContact OG-CD 3.28Å; S127-Q215 VanDerWaalsContact OG-CG 3.27Å; S127-Q215 WeakPolarHBondContact OG-CG 3.48Å; S127-Q215 PolarHBondContact OG-OE1 3.41Å
128	V	94.6	Very high	72.8	Confident	34 Å²	34	73.7 Å²	73.7	21%	0.206	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-75.4	118.5	-173.3	-179.9	0	0	0	0	109.2	D126 L228 L245 V251	D126-V128 PolarHBondContact O-N 3.26Å; V128-L228 HydrophobicContact CB-CD1 4.4Å; V128-L228 HydrophobicContact CG1-CD1 4.05Å; V128-L228 HydrophobicContact CG2-CD1 4.02Å; V128-L228 HydrophobicContact CG2-CD2 4.27Å; V128-L245 HydrophobicContact CG1-CD1 3.81Å; V128-L245 HydrophobicContact CG2-CD1 4.09Å; V128-V251 HydrophobicContact CG1-CG2 3.48Å; V128-V251 VanDerWaalsContact CG1-CG2 3.48Å
129	P	96.8	Very high	75.7	Confident	12 Å²	12	70.1 Å²	70.1	8%	0.078	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-70	140.3	179.4	29.7	-35.7	0	0	0	110.6	S127 H131 L160 P218	S127-P129 WeakPolarHBondContact O-CD 3.43Å; P129-H131 VanDerWaalsContact C-N 3.26Å; P129-H131 PolarHBondContact O-N 2.84Å; P129-L160 HydrophobicContact CG-CD2 3.93Å; P129-P218 HydrophobicContact CB-CG 3.73Å
130	S	97.6	Very high	78.9	Confident	93 Å²	93	61.3 Å²	61.3	65%	0.65	36%	0.359	S	S	*	.	S	Bend	trans	-72.2	-17.3	-178.8	54.5	0	0	0	0	114.1	T252	S130-T252 PolarHBondContact O-N 2.91Å; S130-T252 PolarHBondContact O-OG1 2.86Å
131	H	98.6	Very high	81.6	Confident	80 Å²	80	58.2 Å²	58.2	37%	0.37	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	146.9	180	-175.1	72.6	0	0	0	111.9	P129 T252	P129-H131 VanDerWaalsContact C-N 3.26Å; P129-H131 PolarHBondContact O-N 2.84Å; H131-T252 CarbonylContact C-O 3.56Å; H131-T252 WeakPolarHBondContact CA-O 3.04Å; H131-T252 WeakPolarHBondContact CB-OG1 3.39Å; H131-T252 PolarHBondContact ND1-O 3.37Å; H131-T252 PolarHBondContact ND1-OG1 3.47Å
132	V	98.8	Very high	85	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	136.8	168.8	65.5	0	0	0	0	111.8	F134 L135 R158 L160 L217 V251 T252 Y253 E254	V132-F134 PolarHBondContact O-N 3.24Å; V132-L135 HydrophobicContact CG1-CB 3.88Å; V132-L135 HydrophobicContact CG1-CD1 4.27Å; V132-R158 WeakPolarHBondContact CG2-O 3.39Å; V132-L160 HydrophobicContact CB-CB 4.2Å; V132-L160 HydrophobicContact CG1-CB 3.98Å; V132-L160 HydrophobicContact CG1-CD2 4.26Å; V132-L160 HydrophobicContact CG2-CB 3.82Å; V132-L217 HydrophobicContact CG2-CD2 3.98Å; V132-V251 HydrophobicContact CG1-CG1 4.03Å; V132-T252 PolarHBondContact N-O 2.79Å; V132-Y253 VanDerWaalsContact O-CA 3.24Å; V132-Y253 WeakPolarHBondContact O-CA 3.35Å; V132-E254 PolarHBondContact O-N 3.2Å
133	P	98.8	Very high	88.3	Confident	27 Å²	27	41.1 Å²	41.1	18%	0.175	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	-47.1	175.1	-28	36.2	0	0	0	113.3	R158 E254 K255	P133-R158 HydrophobicContact CG-CB 4.27Å; P133-E254 WeakPolarHBondContact O-CB 3.22Å; P133-E254 PolarHBondContact O-N 2.97Å; P133-K255 PolarHBondContact O-N 3.09Å
134	F	98.9	Very high	91.2	Very high	9 Å²	9	35.4 Å²	35.4	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	110.4	-179.5	-57	-82.3	0	0	0	111.7	V132 I150 A157 R158 V159 L160 K255 M469 T470	V132-F134 PolarHBondContact O-N 3.24Å; F134-I150 HydrophobicContact CB-CD1 4.18Å; F134-I150 HydrophobicContact CD1-CD1 3.91Å; F134-I150 HydrophobicContact CD1-CG1 4.36Å; F134-I150 HydrophobicContact CD1-CG2 4.09Å; F134-I150 HydrophobicContact CD2-CG2 3.71Å; F134-I150 HydrophobicContact CE1-CG2 4.07Å; F134-I150 HydrophobicContact CE2-CG2 3.7Å; F134-I150 HydrophobicContact CG-CD1 4.14Å; F134-I150 HydrophobicContact CG-CG2 3.9Å; F134-I150 HydrophobicContact CZ-CG2 3.88Å; F134-A157 HydrophobicContact CD2-CB 3.96Å; F134-A157 HydrophobicContact CE2-CB 3.67Å; F134-R158 PolarHBondContact N-O 3.37Å; F134-V159 HydrophobicContact CB-CB 4.4Å; F134-V159 HydrophobicContact CB-CG1 4.21Å; F134-V159 HydrophobicContact CB-CG2 4.12Å; F134-V159 HydrophobicContact CD2-CG2 4.3Å; F134-V159 WeakPolarHBondContact O-CA 3.21Å; F134-L160 PolarHBondContact O-N 2.93Å; F134-K255 HydrophobicContact CD1-CB 4.26Å; F134-K255 HydrophobicContact CD1-CD 4.3Å; F134-K255 HydrophobicContact CE1-CD 3.85Å; F134-M469 HydrophobicContact CB-CE 4.5Å; F134-M469 HydrophobicContact CD1-CB 4.28Å; F134-M469 HydrophobicContact CD1-CE 3.97Å; F134-M469 HydrophobicContact CE1-CB 4.13Å; F134-T470 HydrophobicContact CE1-CG2 4.25Å; F134-T470 HydrophobicContact CZ-CG2 4.05Å
135	L	98.9	Very high	94	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.7	176.3	177.8	66.7	0	0	0	111	V132 I137 L160 V162 V243 Y253 K255 C256 L257	V132-L135 HydrophobicContact CG1-CB 3.88Å; V132-L135 HydrophobicContact CG1-CD1 4.27Å; L135-I137 HydrophobicContact CD2-CG1 4.36Å; L135-I137 HydrophobicContact CG-CG1 4.27Å; L135-L160 HydrophobicContact CD1-CD2 4.19Å; L135-L160 HydrophobicContact CD1-CG 4.46Å; L135-V162 HydrophobicContact CD1-CG2 3.8Å; L135-V243 HydrophobicContact CD2-CB 4.25Å; L135-V243 HydrophobicContact CD2-CG1 3.66Å; L135-V243 HydrophobicContact CD2-CG2 3.54Å; L135-Y253 HydrophobicContact CB-CG 4.34Å; L135-Y253 HydrophobicContact CD2-CD1 3.58Å; L135-Y253 HydrophobicContact CD2-CE1 4.35Å; L135-Y253 HydrophobicContact CD2-CG 4.16Å; L135-K255 PolarHBondContact N-O 3.36Å; L135-C256 CarbonylContact O-C 3.58Å; L135-C256 VanDerWaalsContact O-CA 3.27Å; L135-C256 WeakPolarHBondContact O-CA 3.18Å; L135-L257 PolarHBondContact O-N 3.27Å
136	L	98.9	Very high	96.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.1	178.1	-42.9	-177.7	0	0	0	109.9	A143 A146 A147 I150 V159 L160 I161 V162 L257 M469	L136-A143 HydrophobicContact CB-CB 4.04Å; L136-A143 HydrophobicContact CD1-CB 4.37Å; L136-A143 VanDerWaalsContact CD1-O 3.27Å; L136-A143 WeakPolarHBondContact CD1-O 3.47Å; L136-A146 HydrophobicContact CD1-CB 4.18Å; L136-A146 HydrophobicContact CD2-CB 4.47Å; L136-A147 HydrophobicContact CD1-CB 3.74Å; L136-I150 HydrophobicContact CD2-CD1 4.11Å; L136-V159 HydrophobicContact CD1-CG1 3.54Å; L136-V159 HydrophobicContact CG-CG1 3.81Å; L136-L160 PolarHBondContact N-O 3.45Å; L136-I161 HydrophobicContact CB-CG1 4.29Å; L136-I161 HydrophobicContact CD1-CG1 4.1Å; L136-I161 WeakPolarHBondContact O-CA 3.49Å; L136-V162 PolarHBondContact O-N 3.44Å; L136-L257 HydrophobicContact CD2-CB 3.57Å; L136-L257 HydrophobicContact CD2-CD2 4.14Å; L136-L257 HydrophobicContact CD2-CG 4.48Å; L136-M469 HydrophobicContact CD2-CE 3.73Å; L136-M469 HydrophobicContact CD2-SD 4.4Å
137	I	98.9	Very high	97.9	Very high	6 Å²	6	18.7 Å²	18.7	3%	0.031	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	109.6	-174.6	-52.9	177.9	0	0	0	109.9	L135 V233 V243 C256 L257 A259 T260 L406	L135-I137 HydrophobicContact CD2-CG1 4.36Å; L135-I137 HydrophobicContact CG-CG1 4.27Å; I137-V233 HydrophobicContact CD1-CG1 4.33Å; I137-V233 HydrophobicContact CD1-CG2 4.35Å; I137-V233 HydrophobicContact CG1-CG2 4.21Å; I137-V233 HydrophobicContact CG2-CB 3.96Å; I137-V233 HydrophobicContact CG2-CG2 3.78Å; I137-V243 HydrophobicContact CD1-CG1 3.9Å; I137-C256 VanDerWaalsContact CD1-SG 3.56Å; I137-L257 PolarHBondContact N-O 3.29Å; I137-A259 CarbonylContact O-C 3.53Å; I137-A259 WeakPolarHBondContact O-CA 3.39Å; I137-A259 PolarHBondContact O-N 3.27Å; I137-T260 HydrophobicContact CG2-CG2 3.84Å; I137-T260 PolarHBondContact O-N 2.99Å; I137-L406 HydrophobicContact CD1-CD1 4.07Å; I137-L406 HydrophobicContact CG2-CD1 3.94Å
138	G	98.8	Very high	98.5	Very high	14 Å²	14	23.4 Å²	23.4	14%	0.144	13%	0.132	C	C	.	.	S	Bend	trans	106.3	120.6	-179.3	0	0	0	0	0	112.5	G140 A143 V162	G138-G140 PolarHBondContact O-N 2.84Å; G138-A143 WeakPolarHBondContact O-CB 3.33Å; G138-V162 VanDerWaalsContact CA-O 3.32Å; G138-V162 WeakPolarHBondContact CA-O 3.45Å; G138-V162 PolarHBondContact N-O 2.85Å
139	G	98.4	Very high	98.7	Very high	9 Å²	9	22.2 Å²	22.2	9%	0.093	13%	0.125	C	C	.	.	S	Bend	trans	-73.5	29.8	-178	0	0	0	0	0	116.6	P169	G139-P169 WeakPolarHBondContact O-CA 3.32Å; G139-P169 WeakPolarHBondContact O-CB 3.44Å
140	G	98.4	Very high	98.8	Very high	12 Å²	12	21.7 Å²	21.7	12%	0.124	12%	0.122	C	C	.	.	S	Bend	trans	-87.3	177.8	-174.3	0	0	0	0	0	115.3	G138 A142 A143 F144	G138-G140 PolarHBondContact O-N 2.84Å; G140-A142 PolarHBondContact O-N 3.46Å; G140-A142 VanDerWaalsContact O-N 3.16Å; G140-A143 PolarHBondContact O-N 3.23Å; G140-A143 VanDerWaalsContact O-N 3.16Å; G140-F144 PolarHBondContact O-N 3.47Å
141	T	98.9	Very high	98.8	Very high	13 Å²	13	20.4 Å²	20.4	8%	0.08	10%	0.103	C	C	.	.	H	α-helix	trans	-45.1	-45.3	174.8	-48	0	0	0	0	113.1	F144 A145 F205 A458 V459	T141-F144 PolarHBondContact O-N 3.43Å; T141-A145 WeakPolarHBondContact O-CB 3.39Å; T141-A145 PolarHBondContact O-N 3.16Å; T141-F205 HydrophobicContact CG2-CE1 4.44Å; T141-F205 HydrophobicContact CG2-CZ 3.84Å; T141-A458 HydrophobicContact CG2-CB 3.91Å; T141-V459 HydrophobicContact CG2-CG2 3.58Å
142	A	98.9	Very high	98.8	Very high	6 Å²	6	20.3 Å²	20.3	5%	0.05	12%	0.116	C	C	.	.	H	α-helix	trans	-69.9	-40.5	-176.2	0	0	0	0	0	113.2	G140 A145 A146 A259 A436 A458 G462	G140-A142 PolarHBondContact O-N 3.46Å; G140-A142 VanDerWaalsContact O-N 3.16Å; A142-A145 PolarHBondContact O-N 2.89Å; A142-A146 WeakPolarHBondContact O-CB 3.5Å; A142-A146 PolarHBondContact O-N 2.99Å; A142-A259 HydrophobicContact CB-CB 4.17Å; A142-A436 HydrophobicContact CB-CB 3.89Å; A142-A458 VanDerWaalsContact CA-O 3.26Å; A142-A458 WeakPolarHBondContact CA-O 3.5Å; A142-A458 HydrophobicContact CB-CB 4.26Å; A142-A458 WeakPolarHBondContact CB-O 3.26Å; A142-G462 VanDerWaalsContact O-CA 3.3Å; A142-G462 WeakPolarHBondContact O-CA 3.27Å
143	A	98.9	Very high	98.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.2	-40	173.4	0	0	0	0	0	111.6	L136 G138 G140 A146 A147 A259	L136-A143 HydrophobicContact CB-CB 4.04Å; L136-A143 HydrophobicContact CD1-CB 4.37Å; L136-A143 VanDerWaalsContact CD1-O 3.27Å; L136-A143 WeakPolarHBondContact CD1-O 3.47Å; G138-A143 WeakPolarHBondContact O-CB 3.33Å; G140-A143 PolarHBondContact O-N 3.23Å; G140-A143 VanDerWaalsContact O-N 3.16Å; A143-A146 PolarHBondContact O-N 2.93Å; A143-A147 WeakPolarHBondContact O-CB 3.46Å; A143-A147 PolarHBondContact O-N 2.9Å; A143-A259 HydrophobicContact CB-CB 3.87Å
144	F	98.9	Very high	98.8	Very high	9 Å²	9	27.7 Å²	27.7	4%	0.039	15%	0.145	C	C	.	.	H	α-helix	trans	-64.3	-43.6	176.4	-178.7	-93.5	0	0	0	112.1	G140 T141 A146 A147 R148 P169 F205 Q206	G140-F144 PolarHBondContact O-N 3.47Å; T141-F144 PolarHBondContact O-N 3.43Å; F144-A146 VanDerWaalsContact C-N 3.33Å; F144-A146 PolarHBondContact O-N 2.8Å; F144-A147 PolarHBondContact O-N 2.9Å; F144-R148 WeakPolarHBondContact O-CB 3.34Å; F144-R148 PolarHBondContact O-N 3.12Å; F144-P169 HydrophobicContact CB-CB 4.05Å; F144-P169 HydrophobicContact CD2-CB 4.12Å; F144-P169 HydrophobicContact CG-CB 4.37Å; F144-F205 HydrophobicContact CB-CD2 3.87Å; F144-F205 HydrophobicContact CB-CE2 4.19Å; F144-F205 HydrophobicContact CD1-CB 3.55Å; F144-F205 HydrophobicContact CD1-CD1 4.06Å; F144-F205 AromaticContact CD1-CD2 3.77Å; F144-F205 HydrophobicContact CD1-CD2 3.77Å; F144-F205 HydrophobicContact CD1-CE2 4.47Å; F144-F205 AromaticContact CD1-CG 3.55Å; F144-F205 HydrophobicContact CD1-CG 3.55Å; F144-F205 HydrophobicContact CD2-CB 3.92Å; F144-F205 HydrophobicContact CD2-CD2 4.24Å; F144-F205 HydrophobicContact CD2-CG 4.4Å; F144-F205 HydrophobicContact CE1-CB 3.36Å; F144-F205 HydrophobicContact CE1-CD1 4.29Å; F144-F205 HydrophobicContact CE1-CD2 4.47Å; F144-F205 AromaticContact CE1-CG 3.85Å; F144-F205 HydrophobicContact CE1-CG 3.85Å; F144-F205 HydrophobicContact CE2-CB 3.74Å; F144-F205 HydrophobicContact CG-CB 3.84Å; F144-F205 AromaticContact CG-CD2 3.65Å; F144-F205 HydrophobicContact CG-CD2 3.65Å; F144-F205 HydrophobicContact CG-CE2 4.39Å; F144-F205 AromaticContact CG-CG 3.87Å; F144-F205 HydrophobicContact CG-CG 3.87Å; F144-F205 HydrophobicContact CZ-CB 3.46Å; F144-F205 VanDerWaalsContact CZ-CB 3.46Å; F144-F205 HydrophobicContact CZ-CG 4.39Å; F144-Q206 HydrophobicContact CE2-CB 4.47Å; F144-Q206 HydrophobicContact CE2-CG 3.91Å; F144-Q206 HydrophobicContact CZ-CB 4.39Å; F144-Q206 HydrophobicContact CZ-CG 4.31Å
145	A	98.9	Very high	98.8	Very high	10 Å²	10	31.6 Å²	31.6	8%	0.083	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-38.9	174.7	0	0	0	0	0	112.3	T141 A142 S149 V459	T141-A145 WeakPolarHBondContact O-CB 3.39Å; T141-A145 PolarHBondContact O-N 3.16Å; A142-A145 PolarHBondContact O-N 2.89Å; A145-S149 WeakPolarHBondContact O-CB 3.46Å; A145-S149 PolarHBondContact O-N 3.28Å; A145-V459 WeakPolarHBondContact CB-O 3.41Å
146	A	98.9	Very high	98.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-65.1	-47.3	173.7	0	0	0	0	0	112.4	L136 A142 A143 F144 R148 S149 I150 L257 G462	L136-A146 HydrophobicContact CD1-CB 4.18Å; L136-A146 HydrophobicContact CD2-CB 4.47Å; A142-A146 WeakPolarHBondContact O-CB 3.5Å; A142-A146 PolarHBondContact O-N 2.99Å; A143-A146 PolarHBondContact O-N 2.93Å; F144-A146 VanDerWaalsContact C-N 3.33Å; F144-A146 PolarHBondContact O-N 2.8Å; A146-R148 VanDerWaalsContact C-N 3.34Å; A146-R148 PolarHBondContact O-N 2.89Å; A146-S149 WeakPolarHBondContact O-CB 3.27Å; A146-S149 PolarHBondContact O-N 2.79Å; A146-S149 VanDerWaalsContact O-N 3.1Å; A146-I150 WeakPolarHBondContact O-CB 3.41Å; A146-I150 VanDerWaalsContact O-CG1 3.26Å; A146-I150 WeakPolarHBondContact O-CG1 3.46Å; A146-I150 PolarHBondContact O-N 2.95Å; A146-L257 HydrophobicContact CB-CD2 3.3Å; A146-G462 WeakPolarHBondContact CA-O 3.28Å; A146-G462 WeakPolarHBondContact CB-O 3.38Å; A146-G462 PolarHBondContact N-O 3.4Å
147	A	98.9	Very high	98.7	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.017	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-45.4	178.1	0	0	0	0	0	111.7	L136 A143 F144 R151 V159 I161 V225	L136-A147 HydrophobicContact CD1-CB 3.74Å; A143-A147 WeakPolarHBondContact O-CB 3.46Å; A143-A147 PolarHBondContact O-N 2.9Å; F144-A147 PolarHBondContact O-N 2.9Å; A147-R151 WeakPolarHBondContact O-CB 3.41Å; A147-R151 WeakPolarHBondContact O-CG 3.37Å; A147-R151 PolarHBondContact O-N 2.89Å; A147-V159 HydrophobicContact CB-CG1 4.07Å; A147-I161 HydrophobicContact CB-CD1 4.22Å; A147-V225 HydrophobicContact CB-CG1 4Å; A147-V225 HydrophobicContact CB-CG2 4.2Å
148	R	98.8	Very high	98.7	Very high	152 Å²	152	36.1 Å²	36.1	57%	0.574	20%	0.199	S	C	*	.	H	α-helix	trans	-60	-44.5	173.2	179.3	-178.1	-75.3	173.3	-7.4	111.6	F144 A146 A152	F144-R148 WeakPolarHBondContact O-CB 3.34Å; F144-R148 PolarHBondContact O-N 3.12Å; A146-R148 VanDerWaalsContact C-N 3.34Å; A146-R148 PolarHBondContact O-N 2.89Å; R148-A152 VanDerWaalsContact O-CB 3.26Å; R148-A152 WeakPolarHBondContact O-CB 3.43Å; R148-A152 PolarHBondContact O-N 3.03Å
149	S	98.9	Very high	98.7	Very high	10 Å²	10	35.4 Å²	35.4	7%	0.07	19%	0.192	C	C	.	.	H	α-helix	trans	-64.5	-45.1	180	-175.3	0	0	0	0	112.8	A145 A146 A152 R153 R463 E467	A145-S149 WeakPolarHBondContact O-CB 3.46Å; A145-S149 PolarHBondContact O-N 3.28Å; A146-S149 WeakPolarHBondContact O-CB 3.27Å; A146-S149 PolarHBondContact O-N 2.79Å; A146-S149 VanDerWaalsContact O-N 3.1Å; S149-A152 PolarHBondContact O-N 2.83Å; S149-R153 PolarHBondContact O-N 2.87Å; S149-R153 VanDerWaalsContact O-N 3.17Å; S149-R463 WeakPolarHBondContact CB-O 3.32Å; S149-R463 PolarHBondContact OG-O 2.78Å; S149-E467 VanDerWaalsContact OG-CG 3.28Å; S149-E467 WeakPolarHBondContact OG-CG 3.46Å; S149-E467 PolarHBondContact OG-N 2.92Å
150	I	98.9	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-53.5	176.1	-68	161.9	0	0	0	109.5	F134 L136 A146 A152 R153 D154 A157 V159 M469 T470	F134-I150 HydrophobicContact CB-CD1 4.18Å; F134-I150 HydrophobicContact CD1-CD1 3.91Å; F134-I150 HydrophobicContact CD1-CG1 4.36Å; F134-I150 HydrophobicContact CD1-CG2 4.09Å; F134-I150 HydrophobicContact CD2-CG2 3.71Å; F134-I150 HydrophobicContact CE1-CG2 4.07Å; F134-I150 HydrophobicContact CE2-CG2 3.7Å; F134-I150 HydrophobicContact CG-CD1 4.14Å; F134-I150 HydrophobicContact CG-CG2 3.9Å; F134-I150 HydrophobicContact CZ-CG2 3.88Å; L136-I150 HydrophobicContact CD2-CD1 4.11Å; A146-I150 WeakPolarHBondContact O-CB 3.41Å; A146-I150 VanDerWaalsContact O-CG1 3.26Å; A146-I150 WeakPolarHBondContact O-CG1 3.46Å; A146-I150 PolarHBondContact O-N 2.95Å; I150-A152 PolarHBondContact O-N 3.48Å; I150-R153 PolarHBondContact O-N 3.47Å; I150-R153 VanDerWaalsContact O-N 3.09Å; I150-D154 PolarHBondContact O-N 3Å; I150-A157 HydrophobicContact CG2-CB 3.54Å; I150-V159 HydrophobicContact CB-CG2 4.34Å; I150-V159 HydrophobicContact CG2-CG2 3.77Å; I150-M469 HydrophobicContact CD1-CE 4.03Å; I150-M469 HydrophobicContact CD1-SD 4.18Å; I150-T470 HydrophobicContact CB-CG2 4.31Å; I150-T470 HydrophobicContact CG1-CG2 4.28Å; I150-T470 HydrophobicContact CG2-CG2 4.05Å
151	R	98.7	Very high	98.8	Very high	66 Å²	66	34.4 Å²	34.4	25%	0.249	18%	0.182	C	C	.	.	H	α-helix	trans	-62.4	-26	178.8	-71.5	-67.1	-59	163.6	8.3	114.3	A147 D154 P155 G156 A157 V159 N222 V225	A147-R151 WeakPolarHBondContact O-CB 3.41Å; A147-R151 WeakPolarHBondContact O-CG 3.37Å; A147-R151 PolarHBondContact O-N 2.89Å; R151-D154 WeakPolarHBondContact CA-O 3.34Å; R151-D154 CarbonylContact O-C 3.58Å; R151-P155 PolarHBondContact NH1-O 3.18Å; R151-P155 PolarHBondContact NH2-O 2.64Å; R151-G156 VanDerWaalsContact NH1-C 3.31Å; R151-A157 WeakPolarHBondContact CD-O 3.45Å; R151-A157 PolarHBondContact NH1-O 3.25Å; R151-V159 HydrophobicContact CG-CG2 4.38Å; R151-N222 PolarHBondContact NH1-O 3.27Å; R151-N222 PolarHBondContact NH2-O 2.97Å; R151-N222 VanDerWaalsContact NH2-O 3.14Å; R151-V225 HydrophobicContact CG-CG2 3.67Å
152	A	98.6	Very high	98.8	Very high	79 Å²	79	34 Å²	34	65%	0.653	18%	0.179	S	C	*	.	H	α-helix	trans	-80.6	-21.3	176.8	0	0	0	0	0	113.5	R148 S149 I150	R148-A152 VanDerWaalsContact O-CB 3.26Å; R148-A152 WeakPolarHBondContact O-CB 3.43Å; R148-A152 PolarHBondContact O-N 3.03Å; S149-A152 PolarHBondContact O-N 2.83Å; I150-A152 PolarHBondContact O-N 3.48Å
153	R	98.6	Very high	98.8	Very high	124 Å²	124	33.9 Å²	33.9	47%	0.468	18%	0.178	S	C	.	.	H	α-helix	trans	-103.3	-28.2	179	-71.6	177.8	53.1	73.1	7.2	113.1	S149 I150 T470	S149-R153 PolarHBondContact O-N 2.87Å; S149-R153 VanDerWaalsContact O-N 3.17Å; I150-R153 PolarHBondContact O-N 3.47Å; I150-R153 VanDerWaalsContact O-N 3.09Å; R153-T470 HydrophobicContact CB-CG2 4.29Å; R153-T470 VanDerWaalsContact CD-OG1 3.3Å; R153-T470 WeakPolarHBondContact CD-OG1 3.35Å; R153-T470 PolarHBondContact NE-OG1 2.87Å; R153-T470 PolarHBondContact NH2-O 2.81Å
154	D	98.6	Very high	98.7	Very high	61 Å²	61	37.5 Å²	37.5	33%	0.326	20%	0.195	S	C	.	.			trans	-127.6	95.3	169.8	173.5	6.4	0	0	0	108.8	I150 R151 G156 A157 T470	I150-D154 PolarHBondContact O-N 3Å; R151-D154 WeakPolarHBondContact CA-O 3.34Å; R151-D154 CarbonylContact O-C 3.58Å; D154-G156 PolarHBondContact O-N 2.66Å; D154-G156 VanDerWaalsContact O-N 3.14Å; D154-G156 WeakPolarHBondContact OD1-CA 3.32Å; D154-G156 PolarHBondContact OD1-N 3.07Å; D154-A157 HydrophobicContact CB-CB 3.96Å; D154-A157 VanDerWaalsContact O-CB 3.29Å; D154-A157 WeakPolarHBondContact O-CB 3.25Å; D154-A157 PolarHBondContact O-N 3.2Å; D154-A157 VanDerWaalsContact O-N 3.09Å; D154-A157 PolarHBondContact OD1-N 2.98Å; D154-A157 VanDerWaalsContact OD1-N 3.12Å; D154-A157 WeakPolarHBondContact OD2-CA 3.34Å; D154-A157 WeakPolarHBondContact OD2-CB 3.27Å; D154-T470 HydrophobicContact CB-CG2 4.38Å
155	P	98.1	Very high	98.6	Very high	90 Å²	90	37.8 Å²	37.8	58%	0.584	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-8	176.4	-23.5	35.6	0	0	0	114.9	R151	R151-P155 PolarHBondContact NH1-O 3.18Å; R151-P155 PolarHBondContact NH2-O 2.64Å
156	G	98.3	Very high	98.6	Very high	36 Å²	36	41.7 Å²	41.7	37%	0.371	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-10.5	172.8	0	0	0	0	0	114.1	R151 D154	R151-G156 VanDerWaalsContact NH1-C 3.31Å; D154-G156 PolarHBondContact O-N 2.66Å; D154-G156 VanDerWaalsContact O-N 3.14Å; D154-G156 WeakPolarHBondContact OD1-CA 3.32Å; D154-G156 PolarHBondContact OD1-N 3.07Å
157	A	98.6	Very high	98.6	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.025	23%	0.227	C	C	.	.			trans	-55.3	137	-169.8	0	0	0	0	0	114.2	F134 I150 R151 D154 V159 G224	F134-A157 HydrophobicContact CD2-CB 3.96Å; F134-A157 HydrophobicContact CE2-CB 3.67Å; I150-A157 HydrophobicContact CG2-CB 3.54Å; R151-A157 WeakPolarHBondContact CD-O 3.45Å; R151-A157 PolarHBondContact NH1-O 3.25Å; D154-A157 HydrophobicContact CB-CB 3.96Å; D154-A157 VanDerWaalsContact O-CB 3.29Å; D154-A157 WeakPolarHBondContact O-CB 3.25Å; D154-A157 PolarHBondContact O-N 3.2Å; D154-A157 VanDerWaalsContact O-N 3.09Å; D154-A157 PolarHBondContact OD1-N 2.98Å; D154-A157 VanDerWaalsContact OD1-N 3.12Å; D154-A157 WeakPolarHBondContact OD2-CA 3.34Å; D154-A157 WeakPolarHBondContact OD2-CB 3.27Å; A157-V159 HydrophobicContact CB-CG2 4.21Å; A157-G224 PolarHBondContact O-N 3.12Å; A157-G224 VanDerWaalsContact O-N 3.08Å
158	R	98.8	Very high	98.5	Very high	62 Å²	62	44.8 Å²	44.8	23%	0.234	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110.3	172.8	-62.7	174.3	-172.6	-66.5	-4.9	108.5	V132 P133 F134 L217 P218 I220	V132-R158 WeakPolarHBondContact CG2-O 3.39Å; P133-R158 HydrophobicContact CG-CB 4.27Å; F134-R158 PolarHBondContact N-O 3.37Å; R158-L217 HydrophobicContact CB-CD1 4.15Å; R158-L217 HydrophobicContact CB-CG 4.28Å; R158-L217 VanDerWaalsContact CD-O 3.25Å; R158-L217 WeakPolarHBondContact CD-O 3.45Å; R158-L217 WeakPolarHBondContact CG-O 3.44Å; R158-L217 PolarHBondContact NH1-O 2.91Å; R158-P218 PolarHBondContact NE-O 2.85Å; R158-I220 VanDerWaalsContact CZ-O 3.28Å; R158-I220 PolarHBondContact NH1-O 2.84Å; R158-I220 PolarHBondContact NH2-O 2.94Å
159	V	98.9	Very high	98.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.5	-173.6	-170.6	0	0	0	0	110.6	F134 L136 A147 I150 R151 A157 L217 G224 V225 A226	F134-V159 HydrophobicContact CB-CB 4.4Å; F134-V159 HydrophobicContact CB-CG1 4.21Å; F134-V159 HydrophobicContact CB-CG2 4.12Å; F134-V159 HydrophobicContact CD2-CG2 4.3Å; F134-V159 WeakPolarHBondContact O-CA 3.21Å; L136-V159 HydrophobicContact CD1-CG1 3.54Å; L136-V159 HydrophobicContact CG-CG1 3.81Å; A147-V159 HydrophobicContact CB-CG1 4.07Å; I150-V159 HydrophobicContact CB-CG2 4.34Å; I150-V159 HydrophobicContact CG2-CG2 3.77Å; R151-V159 HydrophobicContact CG-CG2 4.38Å; A157-V159 HydrophobicContact CB-CG2 4.21Å; V159-L217 WeakPolarHBondContact O-CD2 3.22Å; V159-G224 PolarHBondContact N-O 2.88Å; V159-V225 HydrophobicContact CB-CG1 4.37Å; V159-V225 HydrophobicContact CB-CG2 4.24Å; V159-V225 HydrophobicContact CG1-CG1 4.47Å; V159-V225 CarbonylContact O-C 3.52Å; V159-V225 WeakPolarHBondContact O-CA 3.35Å; V159-A226 PolarHBondContact O-N 2.74Å
160	L	98.9	Very high	98.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	121.5	174.6	-177.7	65.2	0	0	0	110.1	P129 V132 F134 L135 L136 V162 A214 L217 A226 L228 V251	P129-L160 HydrophobicContact CG-CD2 3.93Å; V132-L160 HydrophobicContact CB-CB 4.2Å; V132-L160 HydrophobicContact CG1-CB 3.98Å; V132-L160 HydrophobicContact CG1-CD2 4.26Å; V132-L160 HydrophobicContact CG2-CB 3.82Å; F134-L160 PolarHBondContact O-N 2.93Å; L135-L160 HydrophobicContact CD1-CD2 4.19Å; L135-L160 HydrophobicContact CD1-CG 4.46Å; L136-L160 PolarHBondContact N-O 3.45Å; L160-V162 HydrophobicContact CD2-CG2 4.15Å; L160-V162 HydrophobicContact CG-CG2 4.13Å; L160-A214 HydrophobicContact CD1-CB 4.44Å; L160-L217 HydrophobicContact CB-CD2 3.81Å; L160-L217 HydrophobicContact CD1-CD2 4.19Å; L160-A226 HydrophobicContact CD1-CB 4.01Å; L160-L228 HydrophobicContact CD1-CD1 4.01Å; L160-L228 HydrophobicContact CD1-CG 4.06Å; L160-L228 HydrophobicContact CD2-CD1 4.12Å; L160-L228 HydrophobicContact CG-CD1 4.47Å; L160-V251 HydrophobicContact CD2-CG1 4.21Å
161	I	98.9	Very high	98.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129	167.1	-57.6	-179.5	0	0	0	108.1	L136 A147 P169 V225 A226 V227 L228	L136-I161 HydrophobicContact CB-CG1 4.29Å; L136-I161 HydrophobicContact CD1-CG1 4.1Å; L136-I161 WeakPolarHBondContact O-CA 3.49Å; A147-I161 HydrophobicContact CB-CD1 4.22Å; I161-P169 HydrophobicContact CD1-CG 4.14Å; I161-V225 HydrophobicContact CD1-CG1 3.97Å; I161-V225 HydrophobicContact CG1-CG1 4.16Å; I161-A226 PolarHBondContact N-O 2.91Å; I161-V227 HydrophobicContact CB-CB 4.45Å; I161-V227 HydrophobicContact CB-CG1 4.17Å; I161-V227 HydrophobicContact CB-CG2 4.17Å; I161-V227 HydrophobicContact CD1-CG2 4.3Å; I161-V227 HydrophobicContact CG2-CG1 4.13Å; I161-V227 CarbonylContact O-C 3.57Å; I161-V227 WeakPolarHBondContact O-CA 3.43Å; I161-L228 PolarHBondContact O-N 2.76Å
162	V	98.9	Very high	98.5	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.9	172.3	-179.3	0	0	0	0	108.7	L135 L136 G138 L160 L228 K231 V233 L245	L135-V162 HydrophobicContact CD1-CG2 3.8Å; L136-V162 PolarHBondContact O-N 3.44Å; G138-V162 VanDerWaalsContact CA-O 3.32Å; G138-V162 WeakPolarHBondContact CA-O 3.45Å; G138-V162 PolarHBondContact N-O 2.85Å; L160-V162 HydrophobicContact CD2-CG2 4.15Å; L160-V162 HydrophobicContact CG-CG2 4.13Å; V162-L228 HydrophobicContact CG2-CD1 4.44Å; V162-K231 HydrophobicContact CG1-CB 4.06Å; V162-K231 VanDerWaalsContact CG1-O 3.27Å; V162-K231 WeakPolarHBondContact CG1-O 3.2Å; V162-V233 HydrophobicContact CB-CG2 4.23Å; V162-V233 HydrophobicContact CG1-CG2 3.8Å; V162-L245 HydrophobicContact CG1-CD2 3.89Å
163	S	98.7	Very high	98.5	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.028	18%	0.179	C	C	.	.			trans	-126.3	125.9	-172.5	-170.1	0	0	0	0	111.6	D165 L228 T229 G230 K231	S163-D165 PolarHBondContact O-N 2.75Å; S163-D165 PolarHBondContact OG-N 3.33Å; S163-D165 PolarHBondContact OG-O 2.74Å; S163-L228 PolarHBondContact N-O 2.88Å; S163-T229 CarbonylContact O-C 3.6Å; S163-G230 PolarHBondContact O-N 3Å; S163-K231 CarbonylContact C-O 3.59Å; S163-K231 PolarHBondContact O-N 2.86Å; S163-K231 VanDerWaalsContact O-O 3.07Å
164	E	98.3	Very high	98.5	Very high	77 Å²	77	27.8 Å²	27.8	36%	0.36	16%	0.157	S	C	.	.	S	Bend	trans	-69.4	-23.9	169.7	60	161.9	-135.6	0	0	112.5	K231 K232 K286	E164-K231 PolarHBondContact N-O 2.95Å; E164-K232 HydrophobicContact CB-CB 3.99Å; E164-K232 HydrophobicContact CB-CG 4.35Å; E164-K232 WeakPolarHBondContact OE2-CD 3.33Å; E164-K232 IonicContact OE2-NZ 2.74Å; E164-K286 IonicContact OE1-NZ 3.07Å; E164-K286 PolarHBondContact OE1-NZ 2.75Å
165	D	97.2	Very high	98.5	Very high	14 Å²	14	25 Å²	25	8%	0.075	14%	0.142	C	C	.	.	S	Bend	trans	-74.1	143.3	174.9	-76.3	-9.2	0	0	0	109.8	S163 E167 Y170 R172 T229 G230 K286	S163-D165 PolarHBondContact O-N 2.75Å; S163-D165 PolarHBondContact OG-N 3.33Å; S163-D165 PolarHBondContact OG-O 2.74Å; D165-E167 PolarHBondContact O-N 2.87Å; D165-Y170 PolarHBondContact OD2-OH 3.28Å; D165-Y170 VanDerWaalsContact OD2-OH 3.12Å; D165-R172 IonicContact OD2-NH2 2.66Å; D165-T229 WeakPolarHBondContact O-CB 3.31Å; D165-G230 PolarHBondContact O-N 2.84Å; D165-G230 VanDerWaalsContact O-N 3.07Å; D165-K286 WeakPolarHBondContact OD1-CD 3.49Å; D165-K286 WeakPolarHBondContact OD1-CE 3.48Å; D165-K286 IonicContact OD1-NZ 3.64Å; D165-K286 PolarHBondContact OD1-NZ 3.49Å
166	P	97.6	Very high	98.5	Very high	92 Å²	92	21.1 Å²	21.1	60%	0.597	12%	0.117	S	C	*	.	S	Bend	trans	-72.4	-20.1	174.7	31	-34.7	0	0	0	112.3	T229	P166-T229 WeakPolarHBondContact O-CB 3.32Å
167	E	98.4	Very high	98.5	Very high	25 Å²	25	19.9 Å²	19.9	12%	0.117	10%	0.101	C	C	.	.	S	Bend	trans	-82.3	144.9	178	-69.9	99.8	177.5	0	0	113.9	D165 Y170 Y204 I287 R291	D165-E167 PolarHBondContact O-N 2.87Å; E167-Y170 HydrophobicContact CB-CD1 4.05Å; E167-Y170 HydrophobicContact CB-CE1 4.03Å; E167-Y204 HydrophobicContact CB-CE1 4.22Å; E167-I287 HydrophobicContact CB-CD1 4.08Å; E167-I287 HydrophobicContact CG-CB 4.5Å; E167-I287 HydrophobicContact CG-CD1 3.76Å; E167-I287 HydrophobicContact CG-CG2 4.44Å; E167-I287 VanDerWaalsContact OE1-CG2 3.27Å; E167-I287 WeakPolarHBondContact OE1-CG2 3.4Å; E167-R291 IonicContact OE1-NH1 2.71Å; E167-R291 PolarHBondContact OE1-NH1 2.87Å; E167-R291 VanDerWaalsContact OE1-NH1 3.07Å
168	L	98.7	Very high	98.5	Very high	42 Å²	42	19.9 Å²	19.9	22%	0.22	10%	0.101	C	C	.	.	P	Polyproline II helix	trans	-64	157	166.6	-68.8	175	0	0	0	111.5	Y170 Y204 P208 Y211 V227 T229	L168-Y170 WeakPolarHBondContact O-CD1 3.37Å; L168-Y170 PolarHBondContact O-N 2.92Å; L168-Y204 HydrophobicContact CB-CD1 4.29Å; L168-Y204 HydrophobicContact CB-CE1 4.43Å; L168-Y204 WeakPolarHBondContact O-CD1 3.47Å; L168-Y204 WeakPolarHBondContact O-CE1 3.37Å; L168-P208 HydrophobicContact CD1-CB 3.77Å; L168-P208 HydrophobicContact CD1-CG 4.05Å; L168-Y211 HydrophobicContact CB-CE2 4.47Å; L168-Y211 HydrophobicContact CD1-CD2 4.08Å; L168-Y211 HydrophobicContact CD1-CE2 4.13Å; L168-Y211 HydrophobicContact CD2-CD2 4.31Å; L168-Y211 HydrophobicContact CD2-CE2 4.38Å; L168-V227 HydrophobicContact CD2-CB 3.67Å; L168-V227 HydrophobicContact CD2-CG1 3.98Å; L168-V227 HydrophobicContact CD2-CG2 3.87Å; L168-T229 HydrophobicContact CD2-CG2 4.16Å
169	P	98.8	Very high	98.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-50.6	125.7	-173.9	-30.5	35.4	0	0	0	115.7	G139 F144 I161 F205 V227	G139-P169 WeakPolarHBondContact O-CA 3.32Å; G139-P169 WeakPolarHBondContact O-CB 3.44Å; F144-P169 HydrophobicContact CB-CB 4.05Å; F144-P169 HydrophobicContact CD2-CB 4.12Å; F144-P169 HydrophobicContact CG-CB 4.37Å; I161-P169 HydrophobicContact CD1-CG 4.14Å; P169-F205 VanDerWaalsContact C-CD2 3.5Å; P169-F205 HydrophobicContact CB-CD2 3.94Å; P169-F205 HydrophobicContact CB-CE2 4.49Å; P169-F205 WeakPolarHBondContact O-CD2 3.39Å; P169-F205 PolarHBondContact O-N 3.21Å; P169-F205 VanDerWaalsContact O-N 3.13Å; P169-V227 HydrophobicContact CG-CG2 4.47Å
170	Y	98.8	Very high	98.5	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.012	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-135.7	154.4	-173.9	64.7	-91.2	0	0	0	113.4	D165 E167 L168 R172 L175 I203 F205 K286 I287	D165-Y170 PolarHBondContact OD2-OH 3.28Å; D165-Y170 VanDerWaalsContact OD2-OH 3.12Å; E167-Y170 HydrophobicContact CB-CD1 4.05Å; E167-Y170 HydrophobicContact CB-CE1 4.03Å; L168-Y170 WeakPolarHBondContact O-CD1 3.37Å; L168-Y170 PolarHBondContact O-N 2.92Å; Y170-R172 HydrophobicContact CD2-CG 4.31Å; Y170-R172 HydrophobicContact CE2-CG 3.93Å; Y170-R172 PolarHBondContact OH-NH1 2.85Å; Y170-R172 PolarHBondContact OH-NH2 2.95Å; Y170-L175 HydrophobicContact CE2-CD1 4.13Å; Y170-I203 CarbonylContact C-O 3.08Å; Y170-I203 VanDerWaalsContact CA-O 3.3Å; Y170-I203 WeakPolarHBondContact CA-O 3.33Å; Y170-I203 WeakPolarHBondContact CB-O 3.47Å; Y170-I203 HydrophobicContact CD2-CD1 4.02Å; Y170-I203 HydrophobicContact CD2-CG1 4.42Å; Y170-F205 VanDerWaalsContact O-CE2 3.26Å; Y170-F205 WeakPolarHBondContact O-CE2 3.46Å; Y170-K286 WeakPolarHBondContact OH-CA 3.41Å; Y170-I287 HydrophobicContact CD1-CD1 3.53Å; Y170-I287 HydrophobicContact CD1-CG1 4.47Å; Y170-I287 HydrophobicContact CD2-CD1 3.74Å; Y170-I287 HydrophobicContact CD2-CG1 4.01Å; Y170-I287 HydrophobicContact CE1-CD1 3.71Å; Y170-I287 HydrophobicContact CE1-CG1 4.31Å; Y170-I287 HydrophobicContact CE2-CD1 3.91Å; Y170-I287 HydrophobicContact CE2-CG1 3.82Å; Y170-I287 HydrophobicContact CG-CD1 3.56Å; Y170-I287 HydrophobicContact CG-CG1 4.34Å
171	M	98.3	Very high	98.4	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.02	10%	0.101	C	C	.	.			trans	-84.3	134.4	175.9	72.6	-165.4	74.1	0	0	111.5	P174 F193 S202 I203 F205 I528	M171-P174 HydrophobicContact CG-CG 3.97Å; M171-P174 HydrophobicContact SD-CG 4.32Å; M171-F193 HydrophobicContact SD-CZ 4.34Å; M171-S202 WeakPolarHBondContact CE-O 3.18Å; M171-I203 HydrophobicContact CG-CG1 4.16Å; M171-I203 WeakPolarHBondContact CG-O 3.39Å; M171-I203 PolarHBondContact N-O 2.99Å; M171-I203 WeakPolarHBondContact O-CD1 3.5Å; M171-I203 WeakPolarHBondContact O-CG1 3.45Å; M171-F205 HydrophobicContact CB-CD1 4.41Å; M171-F205 HydrophobicContact CB-CE1 3.65Å; M171-F205 HydrophobicContact CB-CZ 3.78Å; M171-F205 HydrophobicContact CE-CD1 4.15Å; M171-F205 HydrophobicContact CE-CE1 4.4Å; M171-I528 HydrophobicContact SD-CD1 3.87Å; M171-I528 HydrophobicContact SD-CG1 4.17Å
172	R	98.6	Very high	98.1	Very high	48 Å²	48	20.7 Å²	20.7	18%	0.181	11%	0.109	C	C	.	.	S	Bend	trans	-85.5	-29.2	-174.6	-65.3	169.9	-174.6	-70.7	-5.4	116.2	D165 Y170 P174 L175 R285	D165-R172 IonicContact OD2-NH2 2.66Å; Y170-R172 HydrophobicContact CD2-CG 4.31Å; Y170-R172 HydrophobicContact CE2-CG 3.93Å; Y170-R172 PolarHBondContact OH-NH1 2.85Å; Y170-R172 PolarHBondContact OH-NH2 2.95Å; R172-P174 VanDerWaalsContact C-CD 3.47Å; R172-L175 HydrophobicContact CB-CD1 4.48Å; R172-L175 HydrophobicContact CG-CD1 4.5Å; R172-L175 WeakPolarHBondContact O-CB 3.49Å; R172-L175 WeakPolarHBondContact O-CG 3.29Å; R172-L175 PolarHBondContact O-N 2.84Å; R172-L175 VanDerWaalsContact O-N 3.16Å; R172-R285 PolarHBondContact NH1-O 2.79Å
173	P	98.4	Very high	97.8	Very high	19 Å²	19	25.7 Å²	25.7	12%	0.123	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-54.1	-36.9	-176.3	-28	35.1	0	0	0	117.3	L175 K177 H455 W483 I528	P173-L175 VanDerWaalsContact C-N 3.25Å; P173-L175 PolarHBondContact O-N 2.73Å; P173-K177 WeakPolarHBondContact O-CD 3.4Å; P173-K177 WeakPolarHBondContact O-CG 3.46Å; P173-K177 PolarHBondContact O-NZ 2.85Å; P173-H455 HydrophobicContact CG-CB 4.24Å; P173-W483 HydrophobicContact CB-CZ2 3.91Å; P173-W483 HydrophobicContact CG-CH2 3.93Å; P173-W483 HydrophobicContact CG-CZ2 3.84Å; P173-I528 HydrophobicContact CB-CD1 4.43Å
174	P	98.6	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-68.3	-18.8	179.9	-23.2	35.5	0	0	0	114.8	M171 R172 S176 K177 E178 L179 F193	M171-P174 HydrophobicContact CG-CG 3.97Å; M171-P174 HydrophobicContact SD-CG 4.32Å; R172-P174 VanDerWaalsContact C-CD 3.47Å; P174-S176 PolarHBondContact O-N 2.93Å; P174-K177 CarbonylContact O-C 3.57Å; P174-K177 PolarHBondContact O-N 2.83Å; P174-K177 VanDerWaalsContact O-N 3.1Å; P174-E178 WeakPolarHBondContact CA-OE2 3.45Å; P174-L179 HydrophobicContact CB-CD1 4.21Å; P174-L179 HydrophobicContact CB-CG 4.3Å; P174-L179 WeakPolarHBondContact O-CB 3.45Å; P174-L179 PolarHBondContact O-N 2.87Å; P174-F193 HydrophobicContact CB-CD1 4.02Å; P174-F193 HydrophobicContact CB-CD2 4.35Å; P174-F193 HydrophobicContact CB-CE1 3.86Å; P174-F193 HydrophobicContact CB-CE2 4.16Å; P174-F193 HydrophobicContact CB-CG 4.27Å; P174-F193 HydrophobicContact CB-CZ 3.92Å; P174-F193 HydrophobicContact CG-CD1 4.26Å; P174-F193 HydrophobicContact CG-CE1 3.59Å; P174-F193 HydrophobicContact CG-CE2 3.92Å; P174-F193 HydrophobicContact CG-CZ 3.37Å
175	L	98.8	Very high	97.2	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-62.1	-27.5	-177.5	-66.7	175.4	0	0	0	113.1	Y170 R172 P173 L179 W180 I203 F284 I287 F290	Y170-L175 HydrophobicContact CE2-CD1 4.13Å; R172-L175 HydrophobicContact CB-CD1 4.48Å; R172-L175 HydrophobicContact CG-CD1 4.5Å; R172-L175 WeakPolarHBondContact O-CB 3.49Å; R172-L175 WeakPolarHBondContact O-CG 3.29Å; R172-L175 PolarHBondContact O-N 2.84Å; R172-L175 VanDerWaalsContact O-N 3.16Å; P173-L175 VanDerWaalsContact C-N 3.25Å; P173-L175 PolarHBondContact O-N 2.73Å; L175-L179 HydrophobicContact CD2-CD1 3.97Å; L175-W180 PolarHBondContact O-NE1 2.95Å; L175-I203 HydrophobicContact CD2-CD1 3.54Å; L175-I203 HydrophobicContact CG-CD1 3.95Å; L175-F284 HydrophobicContact CB-CE1 3.87Å; L175-F284 HydrophobicContact CB-CZ 4.22Å; L175-F284 WeakPolarHBondContact O-CE1 3.25Å; L175-F284 WeakPolarHBondContact O-CZ 3.3Å; L175-I287 HydrophobicContact CD2-CG1 4.06Å; L175-F290 HydrophobicContact CD2-CB 3.87Å; L175-F290 HydrophobicContact CD2-CG 4.31Å
176	S	98.6	Very high	97.1	Very high	8 Å²	8	32.8 Å²	32.8	6%	0.056	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-108	1.6	176.2	49.2	0	0	0	0	113.3	P174 E314	P174-S176 PolarHBondContact O-N 2.93Å; S176-E314 WeakPolarHBondContact CB-OE2 3.43Å; S176-E314 PolarHBondContact OG-OE2 2.91Å
177	K	98.6	Very high	97.1	Very high	11 Å²	11	28.8 Å²	28.8	5%	0.048	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-114.7	-171.8	-63	174.5	-174.3	63.9	0	110.8	P173 P174 L179 W180 F181 W196 E314 D485	P173-K177 WeakPolarHBondContact O-CD 3.4Å; P173-K177 WeakPolarHBondContact O-CG 3.46Å; P173-K177 PolarHBondContact O-NZ 2.85Å; P174-K177 CarbonylContact O-C 3.57Å; P174-K177 PolarHBondContact O-N 2.83Å; P174-K177 VanDerWaalsContact O-N 3.1Å; K177-L179 PolarHBondContact O-N 3.37Å; K177-W180 WeakPolarHBondContact O-CB 3.37Å; K177-W180 PolarHBondContact O-N 3.39Å; K177-F181 WeakPolarHBondContact O-CD2 3.26Å; K177-W196 HydrophobicContact CB-CZ2 4.3Å; K177-E314 WeakPolarHBondContact CE-OE1 3.19Å; K177-E314 IonicContact NZ-OE1 2.82Å; K177-E314 PolarHBondContact NZ-OE1 3.09Å; K177-E314 IonicContact NZ-OE2 3.52Å; K177-E314 PolarHBondContact NZ-OE2 2.85Å; K177-D485 HydrophobicContact CD-CB 4.13Å
178	E	98.3	Very high	96.9	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.014	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-57.9	-29.8	-162.8	-60.2	103.3	124.4	0	0	114.7	P174 W180 F181 S182 F193 K194 W196	P174-E178 WeakPolarHBondContact CA-OE2 3.45Å; E178-W180 PolarHBondContact O-N 2.97Å; E178-F181 PolarHBondContact O-N 3.35Å; E178-S182 PolarHBondContact O-N 2.88Å; E178-F193 HydrophobicContact CB-CB 4.09Å; E178-F193 HydrophobicContact CB-CD2 3.51Å; E178-F193 HydrophobicContact CB-CE2 4.3Å; E178-F193 HydrophobicContact CB-CG 4.14Å; E178-F193 HydrophobicContact CG-CD2 3.97Å; E178-F193 HydrophobicContact CG-CE2 4.33Å; E178-F193 WeakPolarHBondContact OE1-CE2 3.27Å; E178-K194 WeakPolarHBondContact CB-O 3.38Å; E178-W196 HydrophobicContact CG-CD2 4.16Å; E178-W196 HydrophobicContact CG-CE3 4.13Å; E178-W196 HydrophobicContact CG-CH2 3.94Å; E178-W196 HydrophobicContact CG-CZ2 3.97Å; E178-W196 HydrophobicContact CG-CZ3 4.02Å
179	L	98.4	Very high	96.7	Very high	2 Å²	2	34 Å²	34	1%	0.01	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-59.6	-27	176.8	-74	167.5	0	0	0	112.9	P174 L175 K177 V187 F193 I203 F290	P174-L179 HydrophobicContact CB-CD1 4.21Å; P174-L179 HydrophobicContact CB-CG 4.3Å; P174-L179 WeakPolarHBondContact O-CB 3.45Å; P174-L179 PolarHBondContact O-N 2.87Å; L175-L179 HydrophobicContact CD2-CD1 3.97Å; K177-L179 PolarHBondContact O-N 3.37Å; L179-V187 HydrophobicContact CD2-CG2 3.49Å; L179-V187 VanDerWaalsContact CD2-CG2 3.49Å; L179-F193 HydrophobicContact CD2-CB 3.83Å; L179-F193 HydrophobicContact CG-CB 4.11Å; L179-I203 HydrophobicContact CD1-CD1 4.15Å; L179-F290 HydrophobicContact CB-CD2 4.44Å; L179-F290 HydrophobicContact CB-CE1 4.19Å; L179-F290 HydrophobicContact CB-CE2 3.77Å; L179-F290 HydrophobicContact CB-CZ 3.64Å; L179-F290 HydrophobicContact CD1-CD1 4.27Å; L179-F290 HydrophobicContact CD1-CE1 4.17Å; L179-F290 HydrophobicContact CD1-CZ 4.44Å; L179-F290 HydrophobicContact CD2-CE1 4.35Å; L179-F290 HydrophobicContact CD2-CZ 4.45Å; L179-F290 HydrophobicContact CG-CE1 4.49Å; L179-F290 HydrophobicContact CG-CZ 4.4Å
180	W	98.3	Very high	96.6	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.008	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-85	-14.5	175.4	-63.5	91	0	0	0	114.1	L175 K177 E178 F284 F290 L293 E294 L315 A318 L319 R321 K322	L175-W180 PolarHBondContact O-NE1 2.95Å; K177-W180 WeakPolarHBondContact O-CB 3.37Å; K177-W180 PolarHBondContact O-N 3.39Å; E178-W180 PolarHBondContact O-N 2.97Å; W180-F284 HydrophobicContact CZ2-CE2 4.28Å; W180-F284 HydrophobicContact CZ2-CZ 4.44Å; W180-F290 HydrophobicContact CD2-CE2 4.21Å; W180-F290 AromaticContact CE2-CD2 3.75Å; W180-F290 AromaticContact CE2-CE2 3.86Å; W180-F290 HydrophobicContact CG-CE2 4.48Å; W180-F290 AromaticContact CZ2-CD2 3.8Å; W180-F290 HydrophobicContact CZ2-CD2 3.8Å; W180-F290 HydrophobicContact CZ2-CE2 4.17Å; W180-F290 AromaticContact NE1-CD2 3.72Å; W180-F290 AromaticContact NE1-CE2 3.92Å; W180-L293 HydrophobicContact CH2-CB 4.06Å; W180-L293 HydrophobicContact CH2-CD2 4.22Å; W180-L293 HydrophobicContact CH2-CG 3.87Å; W180-L293 HydrophobicContact CZ2-CB 4.36Å; W180-L293 HydrophobicContact CZ2-CD2 4.2Å; W180-L293 HydrophobicContact CZ2-CG 4.29Å; W180-E294 HydrophobicContact CH2-CB 4.08Å; W180-E294 HydrophobicContact CZ3-CB 4.19Å; W180-E294 HydrophobicContact CZ3-CG 4.41Å; W180-L315 HydrophobicContact CZ2-CD2 4.45Å; W180-A318 HydrophobicContact CB-CB 3.63Å; W180-A318 HydrophobicContact CD2-CB 4.04Å; W180-A318 HydrophobicContact CG-CB 3.59Å; W180-L319 HydrophobicContact CE3-CD2 4.26Å; W180-L319 HydrophobicContact CH2-CD2 3.82Å; W180-L319 HydrophobicContact CZ3-CD2 3.53Å; W180-L319 HydrophobicContact CZ3-CG 4.42Å; W180-R321 PolarHBondContact O-NH1 3.14Å; W180-K322 WeakPolarHBondContact O-CE 3.39Å
181	F	96.4	Very high	96.6	Very high	52 Å²	52	36.8 Å²	36.8	23%	0.228	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-1.9	178.3	-71.3	-105.6	0	0	0	112	K177 E178 W196	K177-F181 WeakPolarHBondContact O-CD2 3.26Å; E178-F181 PolarHBondContact O-N 3.35Å; F181-W196 HydrophobicContact CB-CZ3 3.85Å; F181-W196 HydrophobicContact CD1-CH2 4.42Å; F181-W196 AromaticContact CD1-CZ3 3.96Å; F181-W196 HydrophobicContact CD1-CZ3 3.96Å; F181-W196 AromaticContact CD2-CH2 3.71Å; F181-W196 HydrophobicContact CD2-CH2 3.71Å; F181-W196 AromaticContact CD2-CZ3 3.85Å; F181-W196 HydrophobicContact CD2-CZ3 3.85Å; F181-W196 HydrophobicContact CE1-CZ3 4.5Å; F181-W196 AromaticContact CE2-CH2 3.96Å; F181-W196 HydrophobicContact CE2-CH2 3.96Å; F181-W196 HydrophobicContact CE2-CZ3 4.41Å; F181-W196 AromaticContact CG-CH2 3.98Å; F181-W196 HydrophobicContact CG-CH2 3.98Å; F181-W196 AromaticContact CG-CZ3 3.61Å; F181-W196 HydrophobicContact CG-CZ3 3.61Å; F181-W196 HydrophobicContact CZ-CH2 4.42Å
182	S	93.8	Very high	96.6	Very high	22 Å²	22	41.6 Å²	41.6	15%	0.154	21%	0.213	C	C	.	.			trans	-73.7	143.1	164.8	-171.1	0	0	0	0	111.6	E178 D184 K322	E178-S182 PolarHBondContact O-N 2.88Å; S182-D184 PolarHBondContact OG-N 3.27Å; S182-K322 PolarHBondContact O-NZ 2.7Å
183	D	91.8	Very high	96.5	Very high	109 Å²	109	39.3 Å²	39.3	58%	0.583	20%	0.204	S	C	*	.			trans	-115	7.7	169.3	-56.5	-44.4	0	0	0	111.8	R321 K322	D183-R321 IonicContact OD1-CZ 2.69Å; D183-R321 IonicContact OD1-NH1 2.81Å; D183-R321 PolarHBondContact OD1-NH1 2.79Å; D183-R321 IonicContact OD1-NH2 2.79Å; D183-R321 PolarHBondContact OD1-NH2 3.08Å; D183-R321 IonicContact OD2-CZ 2.69Å; D183-R321 IonicContact OD2-NH1 2.76Å; D183-R321 IonicContact OD2-NH2 3.26Å; D183-R321 PolarHBondContact OD2-NH2 3.3Å; D183-K322 IonicContact OD1-NZ 3.76Å; D183-K322 PolarHBondContact OD1-NZ 3.34Å
184	D	94.3	Very high	96.5	Very high	74 Å²	74	45.3 Å²	45.3	40%	0.396	23%	0.228	S	C	.	.			trans	-79.7	119.6	163.8	166.6	28.8	0	0	0	110.2	S182 N186 V187	S182-D184 PolarHBondContact OG-N 3.27Å; D184-N186 PolarHBondContact O-N 2.87Å; D184-N186 WeakPolarHBondContact OD1-CB 3.2Å; D184-N186 PolarHBondContact OD1-N 2.92Å; D184-N186 PolarHBondContact OD1-ND2 3.25Å; D184-V187 WeakPolarHBondContact O-CB 3.48Å; D184-V187 WeakPolarHBondContact O-CG1 3.28Å; D184-V187 PolarHBondContact O-N 3.05Å
185	P	91.1	Very high	96.5	Very high	101 Å²	101	45.9 Å²	45.9	66%	0.656	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.8	-179.8	28.3	-36.8	0	0	0	113.8	V187 T188	P185-V187 VanDerWaalsContact C-N 3.25Å; P185-V187 PolarHBondContact O-N 2.99Å; P185-T188 PolarHBondContact O-OG1 3.41Å
186	N	95.4	Very high	96.4	Very high	69 Å²	69	47 Å²	47	37%	0.369	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.1	178.5	-57.8	-76.7	0	0	0	113.2	D184 T188 K189 T190	D184-N186 PolarHBondContact O-N 2.87Å; D184-N186 WeakPolarHBondContact OD1-CB 3.2Å; D184-N186 PolarHBondContact OD1-N 2.92Å; D184-N186 PolarHBondContact OD1-ND2 3.25Å; N186-T188 PolarHBondContact O-N 3.34Å; N186-T188 VanDerWaalsContact O-N 3.11Å; N186-K189 WeakPolarHBondContact O-CA 3.36Å; N186-K189 WeakPolarHBondContact O-CB 3.25Å; N186-K189 PolarHBondContact O-N 3.17Å; N186-T190 HydrophobicContact CB-CG2 4.44Å; N186-T190 PolarHBondContact O-N 3.48Å; N186-T190 PolarHBondContact O-OG1 2.95Å
187	V	96.1	Very high	96.3	Very high	7 Å²	7	48 Å²	48	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-51.5	-34.9	176.9	70.3	0	0	0	0	113	L179 D184 P185 K189 L191	L179-V187 HydrophobicContact CD2-CG2 3.49Å; L179-V187 VanDerWaalsContact CD2-CG2 3.49Å; D184-V187 WeakPolarHBondContact O-CB 3.48Å; D184-V187 WeakPolarHBondContact O-CG1 3.28Å; D184-V187 PolarHBondContact O-N 3.05Å; P185-V187 VanDerWaalsContact C-N 3.25Å; P185-V187 PolarHBondContact O-N 2.99Å; V187-K189 VanDerWaalsContact C-N 3.32Å; V187-K189 PolarHBondContact O-N 3.21Å; V187-L191 VanDerWaalsContact O-CA 3.32Å; V187-L191 WeakPolarHBondContact O-CA 3.47Å; V187-L191 PolarHBondContact O-N 3.32Å
188	T	94.6	Very high	96.1	Very high	25 Å²	25	49.6 Å²	49.6	15%	0.153	26%	0.26	C	S	.	.	H	α-helix	trans	-71.3	-24.5	178.3	56	0	0	0	0	113.7	P185 N186 F290 R291 E294	P185-T188 PolarHBondContact O-OG1 3.41Å; N186-T188 PolarHBondContact O-N 3.34Å; N186-T188 VanDerWaalsContact O-N 3.11Å; T188-F290 HydrophobicContact CG2-CE1 4.22Å; T188-F290 HydrophobicContact CG2-CZ 4.28Å; T188-R291 PolarHBondContact O-NE 3.47Å; T188-E294 HydrophobicContact CG2-CB 4.33Å; T188-E294 HydrophobicContact CG2-CG 3.85Å; T188-E294 WeakPolarHBondContact CG2-OE2 3.37Å
189	K	95.2	Very high	96	Very high	151 Å²	151	55.6 Å²	55.6	66%	0.657	29%	0.285	S	S	*	.	H	α-helix	trans	-87.1	-54.9	175.5	-60.1	173.1	-177.9	168.9	0	110.6	N186 V187	N186-K189 WeakPolarHBondContact O-CA 3.36Å; N186-K189 WeakPolarHBondContact O-CB 3.25Å; N186-K189 PolarHBondContact O-N 3.17Å; V187-K189 VanDerWaalsContact C-N 3.32Å; V187-K189 PolarHBondContact O-N 3.21Å
190	T	96.9	Very high	96	Very high	62 Å²	62	60.7 Å²	60.7	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-74.5	-32.6	-172.4	62.1	0	0	0	0	112.9	N186 R192	N186-T190 HydrophobicContact CB-CG2 4.44Å; N186-T190 PolarHBondContact O-N 3.48Å; N186-T190 PolarHBondContact O-OG1 2.95Å; T190-R192 PolarHBondContact O-N 3.34Å; T190-R192 PolarHBondContact OG1-N 3.17Å
191	L	98.1	Very high	95.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.319	C	S	.	.			trans	52.1	32.5	-170.6	-50.8	173.5	0	0	0	113	V187 I203 Y204 I287 F290	V187-L191 VanDerWaalsContact O-CA 3.32Å; V187-L191 WeakPolarHBondContact O-CA 3.47Å; V187-L191 PolarHBondContact O-N 3.32Å; L191-I203 HydrophobicContact CB-CB 4.33Å; L191-I203 HydrophobicContact CB-CG2 3.56Å; L191-I203 HydrophobicContact CD1-CG2 4.16Å; L191-I203 WeakPolarHBondContact O-CB 3.38Å; L191-I203 PolarHBondContact O-N 3.34Å; L191-Y204 HydrophobicContact CD1-CE2 4.39Å; L191-I287 HydrophobicContact CD1-CB 4.39Å; L191-I287 HydrophobicContact CD1-CD1 3.73Å; L191-I287 HydrophobicContact CD1-CG1 4.01Å; L191-I287 HydrophobicContact CD1-CG2 3.47Å; L191-I287 VanDerWaalsContact CD1-CG2 3.47Å; L191-I287 HydrophobicContact CD2-CG2 4.28Å; L191-F290 HydrophobicContact CD2-CD1 4Å; L191-F290 HydrophobicContact CD2-CE1 3.97Å
192	R	98.1	Very high	96	Very high	105 Å²	105	62.4 Å²	62.4	40%	0.396	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.4	169.2	-59.7	175.8	64.2	84.5	1.3	107.7	T190 E200 R201	T190-R192 PolarHBondContact O-N 3.34Å; T190-R192 PolarHBondContact OG1-N 3.17Å; R192-E200 HydrophobicContact CB-CG 4.09Å; R192-E200 WeakPolarHBondContact CB-OE1 3.5Å; R192-E200 WeakPolarHBondContact CD-OE1 3.31Å; R192-E200 IonicContact CZ-OE1 3.09Å; R192-E200 IonicContact CZ-OE2 3.71Å; R192-E200 IonicContact NE-OE1 2.64Å; R192-E200 PolarHBondContact NE-OE1 3.47Å; R192-E200 IonicContact NE-OE2 2.79Å; R192-E200 PolarHBondContact NE-OE2 2.86Å; R192-E200 VanDerWaalsContact NH2-CD 3.33Å; R192-E200 IonicContact NH2-OE1 3.94Å; R192-E200 IonicContact NH2-OE2 3.8Å; R192-E200 PolarHBondContact NH2-OE2 3.21Å; R192-R201 CarbonylContact C-O 3.5Å; R192-R201 WeakPolarHBondContact CA-O 3.33Å
193	F	97.6	Very high	96.2	Very high	1 Å²	1	61.3 Å²	61.3	0%	0.004	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.4	-174.3	60	-83.2	0	0	0	110.3	M171 P174 E178 L179 Q195 E200 R201	M171-F193 HydrophobicContact SD-CZ 4.34Å; P174-F193 HydrophobicContact CB-CD1 4.02Å; P174-F193 HydrophobicContact CB-CD2 4.35Å; P174-F193 HydrophobicContact CB-CE1 3.86Å; P174-F193 HydrophobicContact CB-CE2 4.16Å; P174-F193 HydrophobicContact CB-CG 4.27Å; P174-F193 HydrophobicContact CB-CZ 3.92Å; P174-F193 HydrophobicContact CG-CD1 4.26Å; P174-F193 HydrophobicContact CG-CE1 3.59Å; P174-F193 HydrophobicContact CG-CE2 3.92Å; P174-F193 HydrophobicContact CG-CZ 3.37Å; E178-F193 HydrophobicContact CB-CB 4.09Å; E178-F193 HydrophobicContact CB-CD2 3.51Å; E178-F193 HydrophobicContact CB-CE2 4.3Å; E178-F193 HydrophobicContact CB-CG 4.14Å; E178-F193 HydrophobicContact CG-CD2 3.97Å; E178-F193 HydrophobicContact CG-CE2 4.33Å; E178-F193 WeakPolarHBondContact OE1-CE2 3.27Å; L179-F193 HydrophobicContact CD2-CB 3.83Å; L179-F193 HydrophobicContact CG-CB 4.11Å; F193-Q195 HydrophobicContact CD2-CG 4.29Å; F193-Q195 HydrophobicContact CE2-CG 3.87Å; F193-E200 CarbonylContact O-C 3.58Å; F193-E200 WeakPolarHBondContact O-CA 3.39Å; F193-R201 VanDerWaalsContact CD1-O 3.24Å; F193-R201 WeakPolarHBondContact CD1-O 3.38Å; F193-R201 HydrophobicContact CE1-CB 4.12Å; F193-R201 HydrophobicContact CE1-CG 4.22Å; F193-R201 HydrophobicContact CE2-CB 4.04Å; F193-R201 HydrophobicContact CZ-CB 3.78Å; F193-R201 HydrophobicContact CZ-CG 3.85Å; F193-R201 PolarHBondContact N-O 2.78Å; F193-R201 PolarHBondContact O-N 3.23Å
194	K	97.9	Very high	96.6	Very high	144 Å²	144	58.8 Å²	58.8	63%	0.626	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	123	166.2	-65.7	-176.6	-177.9	178.9	0	108	E178	E178-K194 WeakPolarHBondContact CB-O 3.38Å
195	Q	97.8	Very high	96.8	Very high	13 Å²	13	57.1 Å²	57.1	6%	0.061	28%	0.283	C	S	.	.			trans	-63	166.6	167.9	-61.5	-178.8	117.6	0	0	109.5	F193 N197 G198 K199 R201 T521 G525	F193-Q195 HydrophobicContact CD2-CG 4.29Å; F193-Q195 HydrophobicContact CE2-CG 3.87Å; Q195-N197 PolarHBondContact O-N 2.9Å; Q195-G198 WeakPolarHBondContact O-CA 3.46Å; Q195-G198 PolarHBondContact O-N 2.84Å; Q195-K199 PolarHBondContact N-O 3.04Å; Q195-R201 HydrophobicContact CG-CB 4.06Å; Q195-T521 HydrophobicContact CB-CG2 4.05Å; Q195-G525 PolarHBondContact NE2-O 2.76Å; Q195-G525 VanDerWaalsContact NE2-O 3.09Å
196	W	97.2	Very high	97	Very high	26 Å²	26	54.4 Å²	54.4	10%	0.098	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-28	-178.5	-51.6	138.1	0	0	0	114.2	K177 E178 F181 G198 D485 P488 R518 T521	K177-W196 HydrophobicContact CB-CZ2 4.3Å; E178-W196 HydrophobicContact CG-CD2 4.16Å; E178-W196 HydrophobicContact CG-CE3 4.13Å; E178-W196 HydrophobicContact CG-CH2 3.94Å; E178-W196 HydrophobicContact CG-CZ2 3.97Å; E178-W196 HydrophobicContact CG-CZ3 4.02Å; F181-W196 HydrophobicContact CB-CZ3 3.85Å; F181-W196 HydrophobicContact CD1-CH2 4.42Å; F181-W196 AromaticContact CD1-CZ3 3.96Å; F181-W196 HydrophobicContact CD1-CZ3 3.96Å; F181-W196 AromaticContact CD2-CH2 3.71Å; F181-W196 HydrophobicContact CD2-CH2 3.71Å; F181-W196 AromaticContact CD2-CZ3 3.85Å; F181-W196 HydrophobicContact CD2-CZ3 3.85Å; F181-W196 HydrophobicContact CE1-CZ3 4.5Å; F181-W196 AromaticContact CE2-CH2 3.96Å; F181-W196 HydrophobicContact CE2-CH2 3.96Å; F181-W196 HydrophobicContact CE2-CZ3 4.41Å; F181-W196 AromaticContact CG-CH2 3.98Å; F181-W196 HydrophobicContact CG-CH2 3.98Å; F181-W196 AromaticContact CG-CZ3 3.61Å; F181-W196 HydrophobicContact CG-CZ3 3.61Å; F181-W196 HydrophobicContact CZ-CH2 4.42Å; W196-G198 PolarHBondContact O-N 3.42Å; W196-D485 HydrophobicContact CZ2-CB 4.2Å; W196-D485 PolarHBondContact NE1-OD2 3.08Å; W196-P488 HydrophobicContact CB-CB 4.42Å; W196-P488 HydrophobicContact CD2-CB 3.93Å; W196-P488 HydrophobicContact CE3-CB 3.84Å; W196-P488 HydrophobicContact CE3-CG 4.35Å; W196-P488 HydrophobicContact CG-CB 4.2Å; W196-P488 HydrophobicContact CZ3-CB 4.4Å; W196-R518 HydrophobicContact CB-CB 4.07Å; W196-R518 HydrophobicContact CB-CG 3.99Å; W196-T521 HydrophobicContact CB-CG2 4.08Å
197	N	95.8	Very high	97.2	Very high	30 Å²	30	53.9 Å²	53.9	16%	0.16	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	10.8	173.4	67.9	16	0	0	0	114.7	Q195 K199 T521 E522 G525	Q195-N197 PolarHBondContact O-N 2.9Å; N197-K199 PolarHBondContact O-N 3.2Å; N197-K199 VanDerWaalsContact OD1-CB 3.24Å; N197-K199 WeakPolarHBondContact OD1-CB 3.5Å; N197-K199 WeakPolarHBondContact OD1-CG 3.06Å; N197-K199 PolarHBondContact OD1-N 3.5Å; N197-T521 HydrophobicContact CB-CG2 4.04Å; N197-T521 PolarHBondContact ND2-O 3.09Å; N197-E522 HydrophobicContact CB-CB 4.29Å; N197-E522 HydrophobicContact CB-CG 3.57Å; N197-G525 PolarHBondContact ND2-O 3.38Å
198	G	95.8	Very high	97.2	Very high	44 Å²	44	57.8 Å²	57.8	45%	0.454	29%	0.288	S	S	.	.	S	Bend	trans	77.7	-14.1	-178.6	0	0	0	0	0	116.2	Q195 W196	Q195-G198 WeakPolarHBondContact O-CA 3.46Å; Q195-G198 PolarHBondContact O-N 2.84Å; W196-G198 PolarHBondContact O-N 3.42Å
199	K	96.5	Very high	97.3	Very high	128 Å²	128	61.5 Å²	61.5	56%	0.557	32%	0.315	S	S	*	.			trans	-71.2	134.4	-178.7	-61.6	177.5	-177.4	171.6	0	111	Q195 N197	Q195-K199 PolarHBondContact N-O 3.04Å; N197-K199 PolarHBondContact O-N 3.2Å; N197-K199 VanDerWaalsContact OD1-CB 3.24Å; N197-K199 WeakPolarHBondContact OD1-CB 3.5Å; N197-K199 WeakPolarHBondContact OD1-CG 3.06Å; N197-K199 PolarHBondContact OD1-N 3.5Å
200	E	97.2	Very high	97.4	Very high	109 Å²	109	60.9 Å²	60.9	51%	0.509	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	135.5	-179.7	-163.2	-166	-161.1	0	0	112	R192 F193	R192-E200 HydrophobicContact CB-CG 4.09Å; R192-E200 WeakPolarHBondContact CB-OE1 3.5Å; R192-E200 WeakPolarHBondContact CD-OE1 3.31Å; R192-E200 IonicContact CZ-OE1 3.09Å; R192-E200 IonicContact CZ-OE2 3.71Å; R192-E200 IonicContact NE-OE1 2.64Å; R192-E200 PolarHBondContact NE-OE1 3.47Å; R192-E200 IonicContact NE-OE2 2.79Å; R192-E200 PolarHBondContact NE-OE2 2.86Å; R192-E200 VanDerWaalsContact NH2-CD 3.33Å; R192-E200 IonicContact NH2-OE1 3.94Å; R192-E200 IonicContact NH2-OE2 3.8Å; R192-E200 PolarHBondContact NH2-OE2 3.21Å; F193-E200 CarbonylContact O-C 3.58Å; F193-E200 WeakPolarHBondContact O-CA 3.39Å
201	R	97.5	Very high	97.5	Very high	58 Å²	58	59.2 Å²	59.2	22%	0.219	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.2	174.6	-173.2	168.6	177.5	158	1.2	109.8	R192 F193 Q195 T526 E531	R192-R201 CarbonylContact C-O 3.5Å; R192-R201 WeakPolarHBondContact CA-O 3.33Å; F193-R201 VanDerWaalsContact CD1-O 3.24Å; F193-R201 WeakPolarHBondContact CD1-O 3.38Å; F193-R201 HydrophobicContact CE1-CB 4.12Å; F193-R201 HydrophobicContact CE1-CG 4.22Å; F193-R201 HydrophobicContact CE2-CB 4.04Å; F193-R201 HydrophobicContact CZ-CB 3.78Å; F193-R201 HydrophobicContact CZ-CG 3.85Å; F193-R201 PolarHBondContact N-O 2.78Å; F193-R201 PolarHBondContact O-N 3.23Å; Q195-R201 HydrophobicContact CG-CB 4.06Å; R201-T526 PolarHBondContact NH1-OG1 2.97Å; R201-E531 IonicContact CZ-OE1 2.76Å; R201-E531 IonicContact CZ-OE2 3.17Å; R201-E531 IonicContact NH1-OE1 3.34Å; R201-E531 IonicContact NH1-OE2 2.68Å; R201-E531 PolarHBondContact NH1-OE2 3.22Å; R201-E531 IonicContact NH2-OE1 2.75Å; R201-E531 PolarHBondContact NH2-OE1 3.48Å; R201-E531 IonicContact NH2-OE2 2.67Å; R201-E531 PolarHBondContact NH2-OE2 3Å
202	S	98	Very high	97.5	Very high	32 Å²	32	60.9 Å²	60.9	22%	0.224	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	145.2	172.7	-173.5	0	0	0	0	110.4	M171 Y204	M171-S202 WeakPolarHBondContact CE-O 3.18Å; S202-Y204 VanDerWaalsContact C-N 3.25Å; S202-Y204 PolarHBondContact O-N 3.46Å; S202-Y204 PolarHBondContact OG-N 3.37Å
203	I	98.4	Very high	97.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-67	-28.8	168.7	-155.9	-179.4	0	0	0	112.2	Y170 M171 L175 L179 L191 I287	Y170-I203 CarbonylContact C-O 3.08Å; Y170-I203 VanDerWaalsContact CA-O 3.3Å; Y170-I203 WeakPolarHBondContact CA-O 3.33Å; Y170-I203 WeakPolarHBondContact CB-O 3.47Å; Y170-I203 HydrophobicContact CD2-CD1 4.02Å; Y170-I203 HydrophobicContact CD2-CG1 4.42Å; M171-I203 HydrophobicContact CG-CG1 4.16Å; M171-I203 WeakPolarHBondContact CG-O 3.39Å; M171-I203 PolarHBondContact N-O 2.99Å; M171-I203 WeakPolarHBondContact O-CD1 3.5Å; M171-I203 WeakPolarHBondContact O-CG1 3.45Å; L175-I203 HydrophobicContact CD2-CD1 3.54Å; L175-I203 HydrophobicContact CG-CD1 3.95Å; L179-I203 HydrophobicContact CD1-CD1 4.15Å; L191-I203 HydrophobicContact CB-CB 4.33Å; L191-I203 HydrophobicContact CB-CG2 3.56Å; L191-I203 HydrophobicContact CD1-CG2 4.16Å; L191-I203 WeakPolarHBondContact O-CB 3.38Å; L191-I203 PolarHBondContact O-N 3.34Å; I203-I287 HydrophobicContact CD1-CD1 4.38Å; I203-I287 HydrophobicContact CD1-CG1 4.15Å; I203-I287 HydrophobicContact CG2-CD1 4.38Å
204	Y	98.7	Very high	97.5	Very high	56 Å²	56	57.6 Å²	57.6	22%	0.22	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-74.7	139.5	179.2	-60.8	-74.4	0	0	0	111.3	E167 L168 L191 S202 Q206	E167-Y204 HydrophobicContact CB-CE1 4.22Å; L168-Y204 HydrophobicContact CB-CD1 4.29Å; L168-Y204 HydrophobicContact CB-CE1 4.43Å; L168-Y204 WeakPolarHBondContact O-CD1 3.47Å; L168-Y204 WeakPolarHBondContact O-CE1 3.37Å; L191-Y204 HydrophobicContact CD1-CE2 4.39Å; S202-Y204 VanDerWaalsContact C-N 3.25Å; S202-Y204 PolarHBondContact O-N 3.46Å; S202-Y204 PolarHBondContact OG-N 3.37Å; Y204-Q206 VanDerWaalsContact C-N 3.3Å; Y204-Q206 PolarHBondContact O-N 3.14Å
205	F	98.3	Very high	97.4	Very high	38 Å²	38	56.5 Å²	56.5	17%	0.167	30%	0.3	C	S	.	.	S	Bend	trans	-70.7	-22.1	-175.3	-68.7	-68.6	0	0	0	114.9	T141 F144 P169 Y170 M171	T141-F205 HydrophobicContact CG2-CE1 4.44Å; T141-F205 HydrophobicContact CG2-CZ 3.84Å; F144-F205 HydrophobicContact CB-CD2 3.87Å; F144-F205 HydrophobicContact CB-CE2 4.19Å; F144-F205 HydrophobicContact CD1-CB 3.55Å; F144-F205 HydrophobicContact CD1-CD1 4.06Å; F144-F205 AromaticContact CD1-CD2 3.77Å; F144-F205 HydrophobicContact CD1-CD2 3.77Å; F144-F205 HydrophobicContact CD1-CE2 4.47Å; F144-F205 AromaticContact CD1-CG 3.55Å; F144-F205 HydrophobicContact CD1-CG 3.55Å; F144-F205 HydrophobicContact CD2-CB 3.92Å; F144-F205 HydrophobicContact CD2-CD2 4.24Å; F144-F205 HydrophobicContact CD2-CG 4.4Å; F144-F205 HydrophobicContact CE1-CB 3.36Å; F144-F205 HydrophobicContact CE1-CD1 4.29Å; F144-F205 HydrophobicContact CE1-CD2 4.47Å; F144-F205 AromaticContact CE1-CG 3.85Å; F144-F205 HydrophobicContact CE1-CG 3.85Å; F144-F205 HydrophobicContact CE2-CB 3.74Å; F144-F205 HydrophobicContact CG-CB 3.84Å; F144-F205 AromaticContact CG-CD2 3.65Å; F144-F205 HydrophobicContact CG-CD2 3.65Å; F144-F205 HydrophobicContact CG-CE2 4.39Å; F144-F205 AromaticContact CG-CG 3.87Å; F144-F205 HydrophobicContact CG-CG 3.87Å; F144-F205 HydrophobicContact CZ-CB 3.46Å; F144-F205 VanDerWaalsContact CZ-CB 3.46Å; F144-F205 HydrophobicContact CZ-CG 4.39Å; P169-F205 VanDerWaalsContact C-CD2 3.5Å; P169-F205 HydrophobicContact CB-CD2 3.94Å; P169-F205 HydrophobicContact CB-CE2 4.49Å; P169-F205 WeakPolarHBondContact O-CD2 3.39Å; P169-F205 PolarHBondContact O-N 3.21Å; P169-F205 VanDerWaalsContact O-N 3.13Å; Y170-F205 VanDerWaalsContact O-CE2 3.26Å; Y170-F205 WeakPolarHBondContact O-CE2 3.46Å; M171-F205 HydrophobicContact CB-CD1 4.41Å; M171-F205 HydrophobicContact CB-CE1 3.65Å; M171-F205 HydrophobicContact CB-CZ 3.78Å; M171-F205 HydrophobicContact CE-CD1 4.15Å; M171-F205 HydrophobicContact CE-CE1 4.4Å
206	Q	97.2	Very high	97.4	Very high	44 Å²	44	60 Å²	60	21%	0.206	32%	0.319	C	S	.	.	S	Bend	trans	-155.4	165	174.1	69	-179.7	29.2	0	0	110.5	F144 Y204 F210 Y211	F144-Q206 HydrophobicContact CE2-CB 4.47Å; F144-Q206 HydrophobicContact CE2-CG 3.91Å; F144-Q206 HydrophobicContact CZ-CB 4.39Å; F144-Q206 HydrophobicContact CZ-CG 4.31Å; Y204-Q206 VanDerWaalsContact C-N 3.3Å; Y204-Q206 PolarHBondContact O-N 3.14Å; Q206-F210 HydrophobicContact CB-CB 4.47Å; Q206-F210 HydrophobicContact CB-CD2 4.41Å; Q206-F210 HydrophobicContact CG-CB 4.08Å; Q206-F210 PolarHBondContact NE2-O 2.99Å; Q206-Y211 HydrophobicContact CG-CD2 4.42Å; Q206-Y211 HydrophobicContact CG-CE1 4.45Å; Q206-Y211 HydrophobicContact CG-CE2 3.63Å; Q206-Y211 VanDerWaalsContact NE2-CE1 3.28Å; Q206-Y211 VanDerWaalsContact NE2-CZ 3.32Å
207	P	98.1	Very high	97.4	Very high	59 Å²	59	58.8 Å²	58.8	38%	0.383	32%	0.315	S	S	.	.			trans	-60.1	148.3	174.3	-22.8	34.7	0	0	0	112.5	S209 F210	P207-S209 PolarHBondContact O-N 2.99Å; P207-F210 HydrophobicContact CB-CD1 4Å; P207-F210 HydrophobicContact CB-CE1 4.32Å; P207-F210 HydrophobicContact CG-CD1 4.03Å; P207-F210 HydrophobicContact CG-CE1 3.98Å; P207-F210 HydrophobicContact CG-CG 4.45Å; P207-F210 HydrophobicContact CG-CZ 4.34Å; P207-F210 WeakPolarHBondContact O-CB 3.33Å; P207-F210 PolarHBondContact O-N 2.86Å; P207-F210 VanDerWaalsContact O-N 3.08Å
208	P	97.1	Very high	97.5	Very high	88 Å²	88	59.3 Å²	59.3	57%	0.571	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-56	-36	176.8	-27.8	36.1	0	0	0	113.8	L168 F210 Y211	L168-P208 HydrophobicContact CD1-CB 3.77Å; L168-P208 HydrophobicContact CD1-CG 4.05Å; P208-F210 PolarHBondContact O-N 3.11Å; P208-F210 VanDerWaalsContact O-N 3.11Å; P208-Y211 PolarHBondContact O-N 3.14Å; P208-Y211 VanDerWaalsContact O-N 3.14Å
209	S	96.4	Very high	97.5	Very high	104 Å²	104	65.2 Å²	65.2	73%	0.727	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-68.9	-2.1	178.6	52.4	0	0	0	0	115.3	P207	P207-S209 PolarHBondContact O-N 2.99Å
210	F	97.8	Very high	97.6	Very high	137 Å²	137	62 Å²	62	60%	0.601	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-92	-2.4	173.3	-77.3	34.4	0	0	0	112.1	Q206 P207 P208	Q206-F210 HydrophobicContact CB-CB 4.47Å; Q206-F210 HydrophobicContact CB-CD2 4.41Å; Q206-F210 HydrophobicContact CG-CB 4.08Å; Q206-F210 PolarHBondContact NE2-O 2.99Å; P207-F210 HydrophobicContact CB-CD1 4Å; P207-F210 HydrophobicContact CB-CE1 4.32Å; P207-F210 HydrophobicContact CG-CD1 4.03Å; P207-F210 HydrophobicContact CG-CE1 3.98Å; P207-F210 HydrophobicContact CG-CG 4.45Å; P207-F210 HydrophobicContact CG-CZ 4.34Å; P207-F210 WeakPolarHBondContact O-CB 3.33Å; P207-F210 PolarHBondContact O-N 2.86Å; P207-F210 VanDerWaalsContact O-N 3.08Å; P208-F210 PolarHBondContact O-N 3.11Å; P208-F210 VanDerWaalsContact O-N 3.11Å
211	Y	98.4	Very high	97.6	Very high	27 Å²	27	64.2 Å²	64.2	11%	0.106	33%	0.334	C	S	.	.	S	Bend	trans	-99	150.7	169.3	-59	-78.9	0	0	0	110.2	L168 Q206 P208 V225 V227	L168-Y211 HydrophobicContact CB-CE2 4.47Å; L168-Y211 HydrophobicContact CD1-CD2 4.08Å; L168-Y211 HydrophobicContact CD1-CE2 4.13Å; L168-Y211 HydrophobicContact CD2-CD2 4.31Å; L168-Y211 HydrophobicContact CD2-CE2 4.38Å; Q206-Y211 HydrophobicContact CG-CD2 4.42Å; Q206-Y211 HydrophobicContact CG-CE1 4.45Å; Q206-Y211 HydrophobicContact CG-CE2 3.63Å; Q206-Y211 VanDerWaalsContact NE2-CE1 3.28Å; Q206-Y211 VanDerWaalsContact NE2-CZ 3.32Å; P208-Y211 PolarHBondContact O-N 3.14Å; P208-Y211 VanDerWaalsContact O-N 3.14Å; Y211-V225 CarbonylContact C-O 3.2Å; Y211-V225 VanDerWaalsContact CA-O 3.26Å; Y211-V225 WeakPolarHBondContact CA-O 3.26Å; Y211-V225 WeakPolarHBondContact CB-O 3.26Å; Y211-V225 HydrophobicContact CD1-CB 4.18Å; Y211-V225 HydrophobicContact CD1-CG1 4.03Å; Y211-V225 HydrophobicContact CE1-CG1 4.16Å; Y211-V227 HydrophobicContact CD1-CG2 3.54Å; Y211-V227 HydrophobicContact CE1-CG2 3.58Å; Y211-V227 HydrophobicContact CG-CG2 4.08Å
212	V	98.1	Very high	97.5	Very high	36 Å²	36	66.4 Å²	66.4	22%	0.218	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-97.2	160.6	171.1	-56.3	0	0	0	0	109.6	L217 I220 V225 A226	V212-L217 HydrophobicContact CG2-CB 4.28Å; V212-L217 HydrophobicContact CG2-CD1 3.75Å; V212-I220 HydrophobicContact CB-CD1 4.34Å; V212-I220 HydrophobicContact CG1-CD1 3.88Å; V212-V225 PolarHBondContact N-O 3.12Å; V212-A226 HydrophobicContact CG2-CB 4.15Å; V212-A226 VanDerWaalsContact O-CA 3.32Å; V212-A226 WeakPolarHBondContact O-CA 3.36Å; V212-A226 VanDerWaalsContact O-CB 3.26Å; V212-A226 WeakPolarHBondContact O-CB 3.28Å
213	S	97.8	Very high	97.5	Very high	35 Å²	35	65.2 Å²	65.2	25%	0.245	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-64.9	156.5	174.4	80.1	0	0	0	0	111	Q215 D216 L217	S213-Q215 PolarHBondContact O-N 3.33Å; S213-Q215 PolarHBondContact OG-N 3.47Å; S213-D216 WeakPolarHBondContact CB-OD2 3.36Å; S213-D216 WeakPolarHBondContact OG-CB 3.41Å; S213-D216 PolarHBondContact OG-N 3.44Å; S213-D216 PolarHBondContact OG-OD2 2.92Å; S213-L217 PolarHBondContact O-N 2.94Å
214	A	97.3	Very high	97.5	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.008	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-27.9	174.7	0	0	0	0	0	111.7	D126 L160 A226 L228	D126-A214 HydrophobicContact CB-CB 4.09Å; D126-A214 PolarHBondContact OD1-N 2.66Å; L160-A214 HydrophobicContact CD1-CB 4.44Å; A214-A226 HydrophobicContact CB-CB 4.45Å; A214-L228 HydrophobicContact CB-CD1 4.49Å; A214-L228 HydrophobicContact CB-CD2 3.65Å; A214-L228 HydrophobicContact CB-CG 3.9Å
215	Q	96.4	Very high	97.5	Very high	121 Å²	121	63.6 Å²	63.6	57%	0.565	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-40.4	178.6	-177.5	164.4	-7.8	0	0	113.3	S127 S213 P218	S127-Q215 VanDerWaalsContact OG-CB 3.3Å; S127-Q215 WeakPolarHBondContact OG-CB 3.41Å; S127-Q215 VanDerWaalsContact OG-CD 3.28Å; S127-Q215 VanDerWaalsContact OG-CG 3.27Å; S127-Q215 WeakPolarHBondContact OG-CG 3.48Å; S127-Q215 PolarHBondContact OG-OE1 3.41Å; S213-Q215 PolarHBondContact O-N 3.33Å; S213-Q215 PolarHBondContact OG-N 3.47Å; Q215-P218 VanDerWaalsContact O-CD 3.3Å; Q215-P218 WeakPolarHBondContact O-CD 3.46Å
216	D	96.9	Very high	97.6	Very high	86 Å²	86	61.8 Å²	61.8	46%	0.46	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-27.1	-179.4	-62.5	-52	0	0	0	112.1	S213 P218 H219 I220	S213-D216 WeakPolarHBondContact CB-OD2 3.36Å; S213-D216 WeakPolarHBondContact OG-CB 3.41Å; S213-D216 PolarHBondContact OG-N 3.44Å; S213-D216 PolarHBondContact OG-OD2 2.92Å; D216-P218 VanDerWaalsContact C-N 3.32Å; D216-P218 VanDerWaalsContact O-N 3.1Å; D216-H219 PolarHBondContact O-N 2.83Å; D216-I220 HydrophobicContact CB-CB 4.25Å; D216-I220 HydrophobicContact CB-CD1 4.36Å; D216-I220 WeakPolarHBondContact O-CB 3.46Å; D216-I220 PolarHBondContact O-N 3.48Å
217	L	98.2	Very high	97.6	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-39.9	-173.8	-175.6	69	0	0	0	115.3	V132 R158 V159 L160 V212 S213 H219 A226	V132-L217 HydrophobicContact CG2-CD2 3.98Å; R158-L217 HydrophobicContact CB-CD1 4.15Å; R158-L217 HydrophobicContact CB-CG 4.28Å; R158-L217 VanDerWaalsContact CD-O 3.25Å; R158-L217 WeakPolarHBondContact CD-O 3.45Å; R158-L217 WeakPolarHBondContact CG-O 3.44Å; R158-L217 PolarHBondContact NH1-O 2.91Å; V159-L217 WeakPolarHBondContact O-CD2 3.22Å; L160-L217 HydrophobicContact CB-CD2 3.81Å; L160-L217 HydrophobicContact CD1-CD2 4.19Å; V212-L217 HydrophobicContact CG2-CB 4.28Å; V212-L217 HydrophobicContact CG2-CD1 3.75Å; S213-L217 PolarHBondContact O-N 2.94Å; L217-H219 VanDerWaalsContact C-N 3.3Å; L217-H219 PolarHBondContact O-N 3.42Å; L217-A226 HydrophobicContact CB-CB 4.19Å; L217-A226 HydrophobicContact CD1-CB 4.39Å; L217-A226 HydrophobicContact CD2-CB 3.94Å; L217-A226 HydrophobicContact CG-CB 4.39Å
218	P	97.9	Very high	97.7	Very high	41 Å²	41	57.6 Å²	57.6	27%	0.266	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-25.4	179.8	-22.3	35.8	0	0	0	114.5	P129 R158 Q215 D216	P129-P218 HydrophobicContact CB-CG 3.73Å; R158-P218 PolarHBondContact NE-O 2.85Å; Q215-P218 VanDerWaalsContact O-CD 3.3Å; Q215-P218 WeakPolarHBondContact O-CD 3.46Å; D216-P218 VanDerWaalsContact C-N 3.32Å; D216-P218 VanDerWaalsContact O-N 3.1Å
219	H	95.8	Very high	97.7	Very high	167 Å²	167	56 Å²	56	77%	0.773	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128	-20	-166.1	-59.7	-38.7	0	0	0	114.9	D216 L217	D216-H219 PolarHBondContact O-N 2.83Å; L217-H219 VanDerWaalsContact C-N 3.3Å; L217-H219 PolarHBondContact O-N 3.42Å
220	I	97.3	Very high	97.8	Very high	60 Å²	60	53.1 Å²	53.1	31%	0.308	28%	0.283	S	S	.	.	S	Bend	trans	-53.8	142	-179.1	-164.6	167.9	0	0	0	112.5	R158 V212 D216 G223	R158-I220 VanDerWaalsContact CZ-O 3.28Å; R158-I220 PolarHBondContact NH1-O 2.84Å; R158-I220 PolarHBondContact NH2-O 2.94Å; V212-I220 HydrophobicContact CB-CD1 4.34Å; V212-I220 HydrophobicContact CG1-CD1 3.88Å; D216-I220 HydrophobicContact CB-CB 4.25Å; D216-I220 HydrophobicContact CB-CD1 4.36Å; D216-I220 WeakPolarHBondContact O-CB 3.46Å; D216-I220 PolarHBondContact O-N 3.48Å; I220-G223 PolarHBondContact O-N 2.92Å
221	E	97.4	Very high	97.8	Very high	156 Å²	156	49 Å²	49	73%	0.729	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	141	178.6	-155.7	-160	127.6	0	0	110.8	G223	E221-G223 PolarHBondContact O-N 2.96Å
222	N	97.1	Very high	97.8	Very high	104 Å²	104	50.6 Å²	50.6	56%	0.556	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	7.9	-178.8	-51.2	-67.2	0	0	0	116	R151	R151-N222 PolarHBondContact NH1-O 3.27Å; R151-N222 PolarHBondContact NH2-O 2.97Å; R151-N222 VanDerWaalsContact NH2-O 3.14Å
223	G	97.9	Very high	97.9	Very high	7 Å²	7	49.2 Å²	49.2	7%	0.072	27%	0.265	C	S	.	.			trans	69.9	-152.5	177.2	0	0	0	0	0	113.6	I220 E221	I220-G223 PolarHBondContact O-N 2.92Å; E221-G223 PolarHBondContact O-N 2.96Å
224	G	98.4	Very high	97.9	Very high	6 Å²	6	50.9 Å²	50.9	6%	0.062	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.9	-167.8	-177.9	0	0	0	0	0	114.1	A157 V159	A157-G224 PolarHBondContact O-N 3.12Å; A157-G224 VanDerWaalsContact O-N 3.08Å; V159-G224 PolarHBondContact N-O 2.88Å
225	V	98.8	Very high	98	Very high	17 Å²	17	54.7 Å²	54.7	10%	0.103	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.7	172.7	-171.8	0	0	0	0	108.5	A147 R151 V159 I161 Y211 V212	A147-V225 HydrophobicContact CB-CG1 4Å; A147-V225 HydrophobicContact CB-CG2 4.2Å; R151-V225 HydrophobicContact CG-CG2 3.67Å; V159-V225 HydrophobicContact CB-CG1 4.37Å; V159-V225 HydrophobicContact CB-CG2 4.24Å; V159-V225 HydrophobicContact CG1-CG1 4.47Å; V159-V225 CarbonylContact O-C 3.52Å; V159-V225 WeakPolarHBondContact O-CA 3.35Å; I161-V225 HydrophobicContact CD1-CG1 3.97Å; I161-V225 HydrophobicContact CG1-CG1 4.16Å; Y211-V225 CarbonylContact C-O 3.2Å; Y211-V225 VanDerWaalsContact CA-O 3.26Å; Y211-V225 WeakPolarHBondContact CA-O 3.26Å; Y211-V225 WeakPolarHBondContact CB-O 3.26Å; Y211-V225 HydrophobicContact CD1-CB 4.18Å; Y211-V225 HydrophobicContact CD1-CG1 4.03Å; Y211-V225 HydrophobicContact CE1-CG1 4.16Å; V212-V225 PolarHBondContact N-O 3.12Å
226	A	98.8	Very high	98.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	158.8	170.1	0	0	0	0	0	111.1	V159 L160 I161 V212 A214 L217	V159-A226 PolarHBondContact O-N 2.74Å; L160-A226 HydrophobicContact CD1-CB 4.01Å; I161-A226 PolarHBondContact N-O 2.91Å; V212-A226 HydrophobicContact CG2-CB 4.15Å; V212-A226 VanDerWaalsContact O-CA 3.32Å; V212-A226 WeakPolarHBondContact O-CA 3.36Å; V212-A226 VanDerWaalsContact O-CB 3.26Å; V212-A226 WeakPolarHBondContact O-CB 3.28Å; A214-A226 HydrophobicContact CB-CB 4.45Å; L217-A226 HydrophobicContact CB-CB 4.19Å; L217-A226 HydrophobicContact CD1-CB 4.39Å; L217-A226 HydrophobicContact CD2-CB 3.94Å; L217-A226 HydrophobicContact CG-CB 4.39Å
227	V	98.8	Very high	98.2	Very high	12 Å²	12	47.5 Å²	47.5	7%	0.073	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	112.6	176.4	-169.3	0	0	0	0	110.2	I161 L168 P169 Y211 T229	I161-V227 HydrophobicContact CB-CB 4.45Å; I161-V227 HydrophobicContact CB-CG1 4.17Å; I161-V227 HydrophobicContact CB-CG2 4.17Å; I161-V227 HydrophobicContact CD1-CG2 4.3Å; I161-V227 HydrophobicContact CG2-CG1 4.13Å; I161-V227 CarbonylContact O-C 3.57Å; I161-V227 WeakPolarHBondContact O-CA 3.43Å; L168-V227 HydrophobicContact CD2-CB 3.67Å; L168-V227 HydrophobicContact CD2-CG1 3.98Å; L168-V227 HydrophobicContact CD2-CG2 3.87Å; P169-V227 HydrophobicContact CG-CG2 4.47Å; Y211-V227 HydrophobicContact CD1-CG2 3.54Å; Y211-V227 HydrophobicContact CE1-CG2 3.58Å; Y211-V227 HydrophobicContact CG-CG2 4.08Å; V227-T229 HydrophobicContact CG1-CG2 3.83Å; V227-T229 PolarHBondContact O-N 3.23Å
228	L	98.5	Very high	98.2	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	101.7	166.6	-76.2	169.6	0	0	0	108.9	D126 V128 L160 I161 V162 S163 A214 K231 L245	D126-L228 HydrophobicContact CB-CD2 3.87Å; V128-L228 HydrophobicContact CB-CD1 4.4Å; V128-L228 HydrophobicContact CG1-CD1 4.05Å; V128-L228 HydrophobicContact CG2-CD1 4.02Å; V128-L228 HydrophobicContact CG2-CD2 4.27Å; L160-L228 HydrophobicContact CD1-CD1 4.01Å; L160-L228 HydrophobicContact CD1-CG 4.06Å; L160-L228 HydrophobicContact CD2-CD1 4.12Å; L160-L228 HydrophobicContact CG-CD1 4.47Å; I161-L228 PolarHBondContact O-N 2.76Å; V162-L228 HydrophobicContact CG2-CD1 4.44Å; S163-L228 PolarHBondContact N-O 2.88Å; A214-L228 HydrophobicContact CB-CD1 4.49Å; A214-L228 HydrophobicContact CB-CD2 3.65Å; A214-L228 HydrophobicContact CB-CG 3.9Å; L228-K231 HydrophobicContact CB-CB 4.34Å; L228-K231 HydrophobicContact CB-CG 4.05Å; L228-L245 HydrophobicContact CD1-CD1 4.49Å
229	T	98.4	Very high	98.2	Very high	53 Å²	53	58.3 Å²	58.3	33%	0.325	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	156.4	175.3	59	0	0	0	0	111.8	S163 D165 P166 L168 V227 K231	S163-T229 CarbonylContact O-C 3.6Å; D165-T229 WeakPolarHBondContact O-CB 3.31Å; P166-T229 WeakPolarHBondContact O-CB 3.32Å; L168-T229 HydrophobicContact CD2-CG2 4.16Å; V227-T229 HydrophobicContact CG1-CG2 3.83Å; V227-T229 PolarHBondContact O-N 3.23Å; T229-K231 PolarHBondContact O-N 2.93Å; T229-K231 VanDerWaalsContact O-N 3.17Å
230	G	97.6	Very high	98.3	Very high	44 Å²	44	52.3 Å²	52.3	45%	0.454	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	15.4	-176.2	0	0	0	0	0	115.2	S163 D165	S163-G230 PolarHBondContact O-N 3Å; D165-G230 PolarHBondContact O-N 2.84Å; D165-G230 VanDerWaalsContact O-N 3.07Å
231	K	98.3	Very high	98.4	Very high	52 Å²	52	52.1 Å²	52.1	23%	0.226	28%	0.278	C	S	.	.			trans	-115.2	116.4	179.4	-60	-63.1	-175	170.4	0	109.9	V162 S163 E164 L228 T229 L245 D247	V162-K231 HydrophobicContact CG1-CB 4.06Å; V162-K231 VanDerWaalsContact CG1-O 3.27Å; V162-K231 WeakPolarHBondContact CG1-O 3.2Å; S163-K231 CarbonylContact C-O 3.59Å; S163-K231 PolarHBondContact O-N 2.86Å; S163-K231 VanDerWaalsContact O-O 3.07Å; E164-K231 PolarHBondContact N-O 2.95Å; L228-K231 HydrophobicContact CB-CB 4.34Å; L228-K231 HydrophobicContact CB-CG 4.05Å; T229-K231 PolarHBondContact O-N 2.93Å; T229-K231 VanDerWaalsContact O-N 3.17Å; K231-L245 HydrophobicContact CB-CD1 4.32Å; K231-D247 WeakPolarHBondContact CD-OD2 3.47Å; K231-D247 WeakPolarHBondContact CE-OD2 3.03Å; K231-D247 IonicContact NZ-OD2 3.6Å; K231-D247 PolarHBondContact NZ-OD2 2.93Å
232	K	98.6	Very high	98.4	Very high	60 Å²	60	46.6 Å²	46.6	26%	0.261	25%	0.252	S	S	.	.			trans	-95.6	128.3	174.3	-176.1	166.5	-178.8	169.9	0	110.2	E164 V234 L245 N246 E405	E164-K232 HydrophobicContact CB-CB 3.99Å; E164-K232 HydrophobicContact CB-CG 4.35Å; E164-K232 WeakPolarHBondContact OE2-CD 3.33Å; E164-K232 IonicContact OE2-NZ 2.74Å; K232-V234 HydrophobicContact CG-CG1 4.3Å; K232-V234 PolarHBondContact O-N 2.88Å; K232-L245 CarbonylContact O-C 3.58Å; K232-L245 WeakPolarHBondContact O-CA 3.38Å; K232-N246 HydrophobicContact CB-CB 4.41Å; K232-N246 PolarHBondContact N-OD1 2.85Å; K232-N246 PolarHBondContact O-N 3.44Å; K232-N246 PolarHBondContact O-OD1 2.93Å; K232-E405 WeakPolarHBondContact CE-OE2 3.4Å; K232-E405 VanDerWaalsContact NZ-CD 3.25Å; K232-E405 IonicContact NZ-OE1 3.38Å; K232-E405 PolarHBondContact NZ-OE1 2.99Å; K232-E405 IonicContact NZ-OE2 2.7Å; K232-E405 PolarHBondContact NZ-OE2 2.85Å
233	V	98.8	Very high	98.5	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	124.9	163	178.9	0	0	0	0	108.2	I137 V162 Q235 V243 L245 L406	I137-V233 HydrophobicContact CD1-CG1 4.33Å; I137-V233 HydrophobicContact CD1-CG2 4.35Å; I137-V233 HydrophobicContact CG1-CG2 4.21Å; I137-V233 HydrophobicContact CG2-CB 3.96Å; I137-V233 HydrophobicContact CG2-CG2 3.78Å; V162-V233 HydrophobicContact CB-CG2 4.23Å; V162-V233 HydrophobicContact CG1-CG2 3.8Å; V233-Q235 WeakPolarHBondContact CG1-O 3.48Å; V233-V243 HydrophobicContact CG1-CB 3.76Å; V233-V243 HydrophobicContact CG1-CG1 3.81Å; V233-V243 HydrophobicContact CG2-CB 4.41Å; V233-V243 HydrophobicContact CG2-CG2 4.44Å; V233-L245 HydrophobicContact CB-CD2 4.46Å; V233-L245 HydrophobicContact CG2-CD2 3.71Å; V233-L406 HydrophobicContact CB-CD1 4.24Å; V233-L406 HydrophobicContact CG1-CD1 3.89Å; V233-L406 HydrophobicContact CG1-CD2 3.88Å
234	V	98.8	Very high	98.6	Very high	69 Å²	69	45 Å²	45	42%	0.418	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-17.8	-177.9	-62.9	0	0	0	0	113.4	K232 K244 N246	K232-V234 HydrophobicContact CG-CG1 4.3Å; K232-V234 PolarHBondContact O-N 2.88Å; V234-K244 WeakPolarHBondContact CG2-O 3.5Å; V234-K244 PolarHBondContact N-O 2.93Å; V234-N246 HydrophobicContact CG1-CB 3.88Å
235	Q	98.8	Very high	98.6	Very high	81 Å²	81	44.8 Å²	44.8	38%	0.379	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	139.9	177.1	-175.2	-179.4	-9.1	0	0	110	V233 V243 K244 T409	V233-Q235 WeakPolarHBondContact CG1-O 3.48Å; Q235-V243 VanDerWaalsContact O-CA 3.31Å; Q235-V243 WeakPolarHBondContact O-CA 3.41Å; Q235-K244 HydrophobicContact CB-CB 3.93Å; Q235-K244 PolarHBondContact N-O 2.92Å; Q235-K244 PolarHBondContact O-N 2.76Å; Q235-T409 HydrophobicContact CB-CG2 4.44Å; Q235-T409 HydrophobicContact CG-CG2 3.97Å
236	L	98.8	Very high	98.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	117.9	172.4	174	63.4	0	0	0	108.4	V238 V243 Y253 I258 L406 T409 G410 L412 I433	L236-V238 HydrophobicContact CD2-CG2 4.17Å; L236-V238 HydrophobicContact CG-CG2 4.01Å; L236-V243 HydrophobicContact CD1-CG1 3.76Å; L236-Y253 HydrophobicContact CD1-CE1 3.9Å; L236-Y253 WeakPolarHBondContact CD1-OH 3.46Å; L236-I258 HydrophobicContact CD2-CD1 4.03Å; L236-L406 HydrophobicContact CB-CB 4.36Å; L236-T409 PolarHBondContact N-OG1 2.91Å; L236-T409 VanDerWaalsContact N-OG1 3.09Å; L236-T409 CarbonylContact O-C 3.4Å; L236-G410 WeakPolarHBondContact O-CA 3.21Å; L236-G410 PolarHBondContact O-N 3.35Å; L236-L412 HydrophobicContact CD2-CD1 3.97Å; L236-I433 HydrophobicContact CD2-CD1 4.48Å
237	D	98.7	Very high	98.4	Very high	57 Å²	57	51.6 Å²	51.6	31%	0.305	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	107	167.4	-179.6	-0.4	0	0	0	109.3	R239 G240 N241 M242	D237-R239 VanDerWaalsContact C-N 3.34Å; D237-R239 WeakPolarHBondContact OD1-CA 3.37Å; D237-R239 PolarHBondContact OD1-N 2.82Å; D237-G240 VanDerWaalsContact CG-N 3.26Å; D237-G240 PolarHBondContact OD1-N 3.46Å; D237-G240 PolarHBondContact OD2-N 3.02Å; D237-N241 WeakPolarHBondContact O-CA 3.25Å; D237-N241 PolarHBondContact O-N 2.9Å; D237-N241 VanDerWaalsContact O-N 3.14Å; D237-M242 HydrophobicContact CB-CB 4.45Å; D237-M242 PolarHBondContact N-O 2.91Å; D237-M242 PolarHBondContact O-N 2.84Å
238	V	98.5	Very high	98.4	Very high	31 Å²	31	52.4 Å²	52.4	19%	0.188	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.3	-179.9	174.2	0	0	0	0	112.6	L236 G410 L412 R430 I433	L236-V238 HydrophobicContact CD2-CG2 4.17Å; L236-V238 HydrophobicContact CG-CG2 4.01Å; V238-G410 VanDerWaalsContact CG2-O 3.24Å; V238-G410 WeakPolarHBondContact CG2-O 3.34Å; V238-L412 HydrophobicContact CG2-CD2 4.15Å; V238-R430 HydrophobicContact CG1-CG 3.82Å; V238-I433 HydrophobicContact CB-CD1 4.23Å; V238-I433 HydrophobicContact CG1-CD1 3.96Å; V238-I433 HydrophobicContact CG2-CD1 3.61Å
239	R	97.8	Very high	98.4	Very high	239 Å²	239	54.2 Å²	54.2	90%	0.902	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-38.7	179.1	-174.3	-178.4	177.8	-162.4	-1.8	111.5	D237 N241	D237-R239 VanDerWaalsContact C-N 3.34Å; D237-R239 WeakPolarHBondContact OD1-CA 3.37Å; D237-R239 PolarHBondContact OD1-N 2.82Å; R239-N241 VanDerWaalsContact C-N 3.26Å
240	G	98	Very high	98.4	Very high	41 Å²	41	56.7 Å²	56.7	42%	0.423	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-5.8	173.6	0	0	0	0	0	114.4	D237 M242	D237-G240 VanDerWaalsContact CG-N 3.26Å; D237-G240 PolarHBondContact OD1-N 3.46Å; D237-G240 PolarHBondContact OD2-N 3.02Å; G240-M242 VanDerWaalsContact C-N 3.31Å; G240-M242 PolarHBondContact O-N 2.88Å
241	N	98.8	Very high	98.4	Very high	56 Å²	56	54.6 Å²	54.6	30%	0.299	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	51.9	-170.1	-69.8	-33.3	0	0	0	112	D237 R239 T252 Y253 N432	D237-N241 WeakPolarHBondContact O-CA 3.25Å; D237-N241 PolarHBondContact O-N 2.9Å; D237-N241 VanDerWaalsContact O-N 3.14Å; R239-N241 VanDerWaalsContact C-N 3.26Å; N241-T252 CarbonylContact O-C 3.59Å; N241-T252 VanDerWaalsContact O-CA 3.25Å; N241-T252 WeakPolarHBondContact O-CA 3.5Å; N241-Y253 HydrophobicContact CB-CD2 4.21Å; N241-Y253 HydrophobicContact CB-CE2 3.97Å; N241-Y253 WeakPolarHBondContact CB-O 3.2Å; N241-Y253 WeakPolarHBondContact O-CD1 3.36Å; N241-Y253 PolarHBondContact O-N 2.94Å; N241-N432 PolarHBondContact OD1-ND2 3.41Å
242	M	98.8	Very high	98.4	Very high	39 Å²	39	54.5 Å²	54.5	19%	0.192	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.9	-169	-172	-178.8	70.1	0	0	112	D237 G240 Q250 V251 T252 Y253	D237-M242 HydrophobicContact CB-CB 4.45Å; D237-M242 PolarHBondContact N-O 2.91Å; D237-M242 PolarHBondContact O-N 2.84Å; G240-M242 VanDerWaalsContact C-N 3.31Å; G240-M242 PolarHBondContact O-N 2.88Å; M242-Q250 HydrophobicContact CE-CG 4.43Å; M242-Q250 HydrophobicContact CG-CB 4.45Å; M242-Q250 HydrophobicContact SD-CB 4Å; M242-Q250 HydrophobicContact SD-CG 4.11Å; M242-Q250 PolarHBondContact SD-OE1 2.93Å; M242-V251 CarbonylContact C-O 3.59Å; M242-V251 WeakPolarHBondContact CA-O 3.39Å; M242-T252 HydrophobicContact CB-CG2 4.24Å; M242-T252 HydrophobicContact CG-CG2 4.12Å; M242-Y253 VanDerWaalsContact N-CE1 3.31Å
243	V	98.9	Very high	98.5	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	153.1	164.4	-66.4	0	0	0	0	111.4	L135 I137 V233 Q235 L236 L245 Q250 V251 Y253	L135-V243 HydrophobicContact CD2-CB 4.25Å; L135-V243 HydrophobicContact CD2-CG1 3.66Å; L135-V243 HydrophobicContact CD2-CG2 3.54Å; I137-V243 HydrophobicContact CD1-CG1 3.9Å; V233-V243 HydrophobicContact CG1-CB 3.76Å; V233-V243 HydrophobicContact CG1-CG1 3.81Å; V233-V243 HydrophobicContact CG2-CB 4.41Å; V233-V243 HydrophobicContact CG2-CG2 4.44Å; Q235-V243 VanDerWaalsContact O-CA 3.31Å; Q235-V243 WeakPolarHBondContact O-CA 3.41Å; L236-V243 HydrophobicContact CD1-CG1 3.76Å; V243-L245 HydrophobicContact CG2-CD2 4.5Å; V243-Q250 WeakPolarHBondContact O-CA 3.29Å; V243-V251 HydrophobicContact CG2-CB 3.79Å; V243-V251 HydrophobicContact CG2-CG2 4.38Å; V243-V251 PolarHBondContact N-O 3.09Å; V243-V251 PolarHBondContact O-N 2.88Å; V243-Y253 HydrophobicContact CG1-CD1 4.48Å; V243-Y253 HydrophobicContact CG1-CE1 4.19Å
244	K	98.8	Very high	98.5	Very high	77 Å²	77	56.3 Å²	56.3	34%	0.335	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135	167	-164.1	178.1	176.4	176.6	0	110.3	V234 Q235 S249 Q250	V234-K244 WeakPolarHBondContact CG2-O 3.5Å; V234-K244 PolarHBondContact N-O 2.93Å; Q235-K244 HydrophobicContact CB-CB 3.93Å; Q235-K244 PolarHBondContact N-O 2.92Å; Q235-K244 PolarHBondContact O-N 2.76Å; K244-S249 CarbonylContact C-O 3.58Å; K244-S249 WeakPolarHBondContact CA-O 3.4Å; K244-Q250 HydrophobicContact CB-CG 4.38Å; K244-Q250 HydrophobicContact CG-CG 4.04Å
245	L	98.7	Very high	98.5	Very high	1 Å²	1	56 Å²	56	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	164.8	177.6	-53.4	-169.7	0	0	0	111.3	V128 V162 L228 K231 K232 V233 V243 D247 G248 S249	V128-L245 HydrophobicContact CG1-CD1 3.81Å; V128-L245 HydrophobicContact CG2-CD1 4.09Å; V162-L245 HydrophobicContact CG1-CD2 3.89Å; L228-L245 HydrophobicContact CD1-CD1 4.49Å; K231-L245 HydrophobicContact CB-CD1 4.32Å; K232-L245 CarbonylContact O-C 3.58Å; K232-L245 WeakPolarHBondContact O-CA 3.38Å; V233-L245 HydrophobicContact CB-CD2 4.46Å; V233-L245 HydrophobicContact CG2-CD2 3.71Å; V243-L245 HydrophobicContact CG2-CD2 4.5Å; L245-D247 VanDerWaalsContact CB-OD1 3.3Å; L245-D247 WeakPolarHBondContact CB-OD1 3.42Å; L245-D247 PolarHBondContact O-N 2.69Å; L245-G248 PolarHBondContact O-N 2.69Å; L245-S249 PolarHBondContact N-O 3.3Å
246	N	98.2	Very high	98.5	Very high	88 Å²	88	52.1 Å²	52.1	47%	0.471	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.6	-177.6	65.9	-78.2	0	0	0	114.9	K232 V234	K232-N246 HydrophobicContact CB-CB 4.41Å; K232-N246 PolarHBondContact N-OD1 2.85Å; K232-N246 PolarHBondContact O-N 3.44Å; K232-N246 PolarHBondContact O-OD1 2.93Å; V234-N246 HydrophobicContact CG1-CB 3.88Å
247	D	96.6	Very high	98.5	Very high	72 Å²	72	52.1 Å²	52.1	39%	0.385	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-5.2	172.4	55.7	12.5	0	0	0	113.2	K231 L245 S249	K231-D247 WeakPolarHBondContact CD-OD2 3.47Å; K231-D247 WeakPolarHBondContact CE-OD2 3.03Å; K231-D247 IonicContact NZ-OD2 3.6Å; K231-D247 PolarHBondContact NZ-OD2 2.93Å; L245-D247 VanDerWaalsContact CB-OD1 3.3Å; L245-D247 WeakPolarHBondContact CB-OD1 3.42Å; L245-D247 PolarHBondContact O-N 2.69Å; D247-S249 VanDerWaalsContact OD1-CB 3.26Å; D247-S249 WeakPolarHBondContact OD1-CB 3.45Å; D247-S249 PolarHBondContact OD1-N 3.14Å; D247-S249 PolarHBondContact OD1-OG 3.49Å
248	G	97.7	Very high	98.5	Very high	29 Å²	29	49.4 Å²	49.4	30%	0.299	26%	0.255	S	S	.	.	S	Bend	trans	97.2	-9.5	-177.7	0	0	0	0	0	115	L245	L245-G248 PolarHBondContact O-N 2.69Å
249	S	98	Very high	98.5	Very high	41 Å²	41	48.3 Å²	48.3	29%	0.287	25%	0.249	S	C	.	.			trans	-57.8	147.3	175.1	-64.2	0	0	0	0	111.6	K244 L245 D247	K244-S249 CarbonylContact C-O 3.58Å; K244-S249 WeakPolarHBondContact CA-O 3.4Å; L245-S249 PolarHBondContact N-O 3.3Å; D247-S249 VanDerWaalsContact OD1-CB 3.26Å; D247-S249 WeakPolarHBondContact OD1-CB 3.45Å; D247-S249 PolarHBondContact OD1-N 3.14Å; D247-S249 PolarHBondContact OD1-OG 3.49Å
250	Q	98.4	Very high	98.6	Very high	106 Å²	106	38.4 Å²	38.4	50%	0.495	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.6	-178.4	-75.2	164.6	86.6	0	0	109.8	M242 V243 K244	M242-Q250 HydrophobicContact CE-CG 4.43Å; M242-Q250 HydrophobicContact CG-CB 4.45Å; M242-Q250 HydrophobicContact SD-CB 4Å; M242-Q250 HydrophobicContact SD-CG 4.11Å; M242-Q250 PolarHBondContact SD-OE1 2.93Å; V243-Q250 WeakPolarHBondContact O-CA 3.29Å; K244-Q250 HydrophobicContact CB-CG 4.38Å; K244-Q250 HydrophobicContact CG-CG 4.04Å
251	V	98.8	Very high	98.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.8	-179.5	-172.5	0	0	0	0	108.2	V128 V132 L160 M242 V243	V128-V251 HydrophobicContact CG1-CG2 3.48Å; V128-V251 VanDerWaalsContact CG1-CG2 3.48Å; V132-V251 HydrophobicContact CG1-CG1 4.03Å; L160-V251 HydrophobicContact CD2-CG1 4.21Å; M242-V251 CarbonylContact C-O 3.59Å; M242-V251 WeakPolarHBondContact CA-O 3.39Å; V243-V251 HydrophobicContact CG2-CB 3.79Å; V243-V251 HydrophobicContact CG2-CG2 4.38Å; V243-V251 PolarHBondContact N-O 3.09Å; V243-V251 PolarHBondContact O-N 2.88Å
252	T	98.9	Very high	98.5	Very high	50 Å²	50	34.7 Å²	34.7	31%	0.307	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	152	170.5	57.3	0	0	0	0	110.9	S130 H131 V132 N241 M242	S130-T252 PolarHBondContact O-N 2.91Å; S130-T252 PolarHBondContact O-OG1 2.86Å; H131-T252 CarbonylContact C-O 3.56Å; H131-T252 WeakPolarHBondContact CA-O 3.04Å; H131-T252 WeakPolarHBondContact CB-OG1 3.39Å; H131-T252 PolarHBondContact ND1-O 3.37Å; H131-T252 PolarHBondContact ND1-OG1 3.47Å; V132-T252 PolarHBondContact N-O 2.79Å; N241-T252 CarbonylContact O-C 3.59Å; N241-T252 VanDerWaalsContact O-CA 3.25Å; N241-T252 WeakPolarHBondContact O-CA 3.5Å; M242-T252 HydrophobicContact CB-CG2 4.24Å; M242-T252 HydrophobicContact CG-CG2 4.12Å
253	Y	98.9	Very high	98.5	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.02	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.6	-177.8	60.1	-99.9	0	0	0	113.1	V132 L135 L236 N241 M242 V243 C256 I433	V132-Y253 VanDerWaalsContact O-CA 3.24Å; V132-Y253 WeakPolarHBondContact O-CA 3.35Å; L135-Y253 HydrophobicContact CB-CG 4.34Å; L135-Y253 HydrophobicContact CD2-CD1 3.58Å; L135-Y253 HydrophobicContact CD2-CE1 4.35Å; L135-Y253 HydrophobicContact CD2-CG 4.16Å; L236-Y253 HydrophobicContact CD1-CE1 3.9Å; L236-Y253 WeakPolarHBondContact CD1-OH 3.46Å; N241-Y253 HydrophobicContact CB-CD2 4.21Å; N241-Y253 HydrophobicContact CB-CE2 3.97Å; N241-Y253 WeakPolarHBondContact CB-O 3.2Å; N241-Y253 WeakPolarHBondContact O-CD1 3.36Å; N241-Y253 PolarHBondContact O-N 2.94Å; M242-Y253 VanDerWaalsContact N-CE1 3.31Å; V243-Y253 HydrophobicContact CG1-CD1 4.48Å; V243-Y253 HydrophobicContact CG1-CE1 4.19Å; Y253-C256 HydrophobicContact CD1-CB 4.43Å; Y253-C256 HydrophobicContact CD2-CB 3.8Å; Y253-C256 HydrophobicContact CE1-CB 4.32Å; Y253-C256 HydrophobicContact CE2-CB 3.69Å; Y253-C256 HydrophobicContact CG-CB 4.19Å; Y253-I433 HydrophobicContact CE2-CG1 4.48Å; Y253-I433 WeakPolarHBondContact OH-CD1 3.22Å
254	E	98.8	Very high	98.4	Very high	99 Å²	99	37.4 Å²	37.4	46%	0.463	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-49.4	162.7	-61.2	174.3	-146	0	0	110.2	V132 P133 N432	V132-E254 PolarHBondContact O-N 3.2Å; P133-E254 WeakPolarHBondContact O-CB 3.22Å; P133-E254 PolarHBondContact O-N 2.97Å; E254-N432 WeakPolarHBondContact O-CB 3.47Å; E254-N432 PolarHBondContact O-ND2 2.91Å
255	K	98.9	Very high	98.3	Very high	63 Å²	63	38.3 Å²	38.3	27%	0.274	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	135.7	-176.3	-64.4	165.4	-172.5	162.9	0	111.1	P133 F134 L135 N432 W434 M469	P133-K255 PolarHBondContact O-N 3.09Å; F134-K255 HydrophobicContact CD1-CB 4.26Å; F134-K255 HydrophobicContact CD1-CD 4.3Å; F134-K255 HydrophobicContact CE1-CD 3.85Å; L135-K255 PolarHBondContact N-O 3.36Å; K255-N432 WeakPolarHBondContact CA-O 3.39Å; K255-N432 HydrophobicContact CG-CB 4.47Å; K255-W434 HydrophobicContact CB-CZ3 4.13Å; K255-W434 HydrophobicContact CG-CZ3 4.16Å; K255-M469 HydrophobicContact CB-CE 4.07Å; K255-M469 HydrophobicContact CD-CB 4.38Å; K255-M469 WeakPolarHBondContact CD-O 3.48Å; K255-M469 WeakPolarHBondContact CE-O 3.5Å; K255-M469 PolarHBondContact NZ-O 3.33Å
256	C	98.9	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.7	-176.2	-173.5	0	0	0	0	112.2	L135 I137 Y253 N432 I433 W434	L135-C256 CarbonylContact O-C 3.58Å; L135-C256 VanDerWaalsContact O-CA 3.27Å; L135-C256 WeakPolarHBondContact O-CA 3.18Å; I137-C256 VanDerWaalsContact CD1-SG 3.56Å; Y253-C256 HydrophobicContact CD1-CB 4.43Å; Y253-C256 HydrophobicContact CD2-CB 3.8Å; Y253-C256 HydrophobicContact CE1-CB 4.32Å; Y253-C256 HydrophobicContact CE2-CB 3.69Å; Y253-C256 HydrophobicContact CG-CB 4.19Å; C256-N432 PolarHBondContact N-O 3.33Å; C256-I433 HydrophobicContact CB-CG1 4.25Å; C256-I433 HydrophobicContact CB-CG2 4.29Å; C256-I433 WeakPolarHBondContact O-CA 3.49Å; C256-W434 PolarHBondContact O-N 3.16Å
257	L	99	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.9	164.6	177.5	60.1	0	0	0	109.9	L135 L136 I137 A146 A259 W434 A436 A465 M469	L135-L257 PolarHBondContact O-N 3.27Å; L136-L257 HydrophobicContact CD2-CB 3.57Å; L136-L257 HydrophobicContact CD2-CD2 4.14Å; L136-L257 HydrophobicContact CD2-CG 4.48Å; I137-L257 PolarHBondContact N-O 3.29Å; A146-L257 HydrophobicContact CB-CD2 3.3Å; L257-A259 HydrophobicContact CD2-CB 4.36Å; L257-A259 HydrophobicContact CG-CB 4.26Å; L257-W434 HydrophobicContact CD1-CB 3.79Å; L257-A436 HydrophobicContact CD1-CB 3.93Å; L257-A465 HydrophobicContact CD1-CB 3.79Å; L257-A465 HydrophobicContact CD2-CB 4.41Å; L257-M469 HydrophobicContact CB-CE 4.19Å; L257-M469 HydrophobicContact CB-SD 4Å
258	I	98.9	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	112.1	167.3	-56.2	176.8	0	0	0	108.1	L236 T260 L412 F421 I433 W434 V435 A436	L236-I258 HydrophobicContact CD2-CD1 4.03Å; I258-T260 HydrophobicContact CG2-CG2 3.91Å; I258-L412 HydrophobicContact CD1-CD1 3.51Å; I258-F421 HydrophobicContact CD1-CD1 4.45Å; I258-F421 HydrophobicContact CD1-CE1 4.03Å; I258-F421 HydrophobicContact CD1-CZ 4.15Å; I258-F421 HydrophobicContact CG2-CD2 4.2Å; I258-F421 HydrophobicContact CG2-CE2 3.61Å; I258-F421 HydrophobicContact CG2-CZ 3.92Å; I258-I433 HydrophobicContact CD1-CG2 3.97Å; I258-I433 HydrophobicContact CG1-CG2 4.09Å; I258-W434 PolarHBondContact N-O 3.43Å; I258-V435 HydrophobicContact CB-CG1 4.13Å; I258-V435 HydrophobicContact CB-CG2 4.2Å; I258-V435 HydrophobicContact CD1-CG2 4.5Å; I258-V435 HydrophobicContact CG2-CG1 4.28Å; I258-V435 VanDerWaalsContact O-CA 3.32Å; I258-V435 WeakPolarHBondContact O-CA 3.44Å; I258-V435 WeakPolarHBondContact O-CG1 3.25Å; I258-A436 PolarHBondContact O-N 2.91Å; I258-A436 VanDerWaalsContact O-N 3.08Å
259	A	98.9	Very high	97.7	Very high	7 Å²	7	37 Å²	37	6%	0.058	21%	0.207	C	C	.	.			trans	-127.7	34	179.9	0	0	0	0	0	110.8	I137 A142 A143 L257 G261	I137-A259 CarbonylContact O-C 3.53Å; I137-A259 WeakPolarHBondContact O-CA 3.39Å; I137-A259 PolarHBondContact O-N 3.27Å; A142-A259 HydrophobicContact CB-CB 4.17Å; A143-A259 HydrophobicContact CB-CB 3.87Å; L257-A259 HydrophobicContact CD2-CB 4.36Å; L257-A259 HydrophobicContact CG-CB 4.26Å; A259-G261 PolarHBondContact O-N 3.14Å; A259-G261 VanDerWaalsContact O-N 3.08Å
260	T	98.8	Very high	97.6	Very high	31 Å²	31	35.2 Å²	35.2	19%	0.19	19%	0.194	C	C	.	.			trans	-66.6	-9.5	-171.4	50.1	0	0	0	0	114.7	I137 I258 N403 L406	I137-T260 HydrophobicContact CG2-CG2 3.84Å; I137-T260 PolarHBondContact O-N 2.99Å; I258-T260 HydrophobicContact CG2-CG2 3.91Å; T260-N403 WeakPolarHBondContact O-CB 3.48Å; T260-N403 PolarHBondContact O-ND2 2.9Å; T260-N403 PolarHBondContact OG1-O 3.07Å; T260-L406 HydrophobicContact CG2-CD1 4.49Å
261	G	98.4	Very high	97.5	Very high	13 Å²	13	33.7 Å²	33.7	13%	0.134	19%	0.19	C	C	.	.			trans	63.6	-132.4	178.7	0	0	0	0	0	112.5	A259 N403	A259-G261 PolarHBondContact O-N 3.14Å; A259-G261 VanDerWaalsContact O-N 3.08Å; G261-N403 PolarHBondContact O-N 3.05Å
262	G	97.9	Very high	97.4	Very high	6 Å²	6	43.7 Å²	43.7	6%	0.062	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	152.3	179.3	0	0	0	0	0	114.1	R285 E401	G262-R285 PolarHBondContact O-NE 2.88Å; G262-R285 VanDerWaalsContact O-NE 3.16Å; G262-E401 CarbonylContact C-O 3.55Å; G262-E401 WeakPolarHBondContact CA-O 3.19Å
263	T	97.8	Very high	97.2	Very high	72 Å²	72	42.7 Å²	42.7	44%	0.442	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	133.9	178.7	-66.7	0	0	0	0	109.7	L400 E401 N403	T263-L400 CarbonylContact O-C 3.59Å; T263-L400 WeakPolarHBondContact O-CA 3.46Å; T263-L400 VanDerWaalsContact O-CB 3.31Å; T263-L400 WeakPolarHBondContact O-CB 3.34Å; T263-E401 PolarHBondContact N-O 2.83Å; T263-E401 PolarHBondContact O-N 2.91Å; T263-N403 WeakPolarHBondContact CB-OD1 3.37Å; T263-N403 PolarHBondContact N-OD1 3.36Å; T263-N403 VanDerWaalsContact N-OD1 3.12Å; T263-N403 PolarHBondContact OG1-OD1 3.04Å
264	P	97.6	Very high	97	Very high	26 Å²	26	44.2 Å²	44.2	17%	0.169	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	146.8	177.1	-23.1	32.7	0	0	0	113.1	L283 R285	P264-L283 HydrophobicContact CB-CB 3.97Å; P264-L283 HydrophobicContact CG-CB 4.19Å; P264-R285 HydrophobicContact CG-CB 3.65Å; P264-R285 HydrophobicContact CG-CG 4.04Å
265	R	96.2	Very high	96.9	Very high	96 Å²	96	43.3 Å²	43.3	36%	0.362	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-71.1	130.5	169.6	-71.8	175.7	-175.4	135.2	6.1	110.6	V398 G399 L400 E401	R265-V398 HydrophobicContact CB-CG2 3.93Å; R265-V398 WeakPolarHBondContact CD-O 3.4Å; R265-V398 PolarHBondContact NH1-O 3.25Å; R265-G399 PolarHBondContact N-O 3.26Å; R265-L400 PolarHBondContact NH2-O 2.82Å; R265-E401 HydrophobicContact CG-CG 4.15Å; R265-E401 IonicContact CZ-OE1 3.64Å; R265-E401 IonicContact NE-OE1 2.7Å; R265-E401 PolarHBondContact NE-OE1 2.91Å; R265-E401 IonicContact NH2-OE1 3.5Å; R265-E401 PolarHBondContact NH2-OE1 2.9Å
266	S	92.6	Very high	96.8	Very high	39 Å²	39	45.3 Å²	45.3	27%	0.273	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-74.1	171	159	-169.3	0	0	0	0	110.5	D271	S266-D271 VanDerWaalsContact CB-OD1 3.23Å; S266-D271 WeakPolarHBondContact CB-OD1 3.34Å; S266-D271 WeakPolarHBondContact CB-OD2 3.34Å; S266-D271 PolarHBondContact OG-OD1 2.84Å; S266-D271 PolarHBondContact OG-OD2 2.81Å
267	L	93.9	Very high	96.8	Very high	38 Å²	38	45.4 Å²	45.4	20%	0.199	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-102.8	132.8	169.6	-75.3	166.7	0	0	0	109.3	A269 I270 D271 I306 A396 V398	L267-A269 PolarHBondContact O-N 2.76Å; L267-I270 HydrophobicContact CB-CB 4.33Å; L267-I270 HydrophobicContact CB-CD1 4.12Å; L267-I270 HydrophobicContact CB-CG1 4.13Å; L267-I270 HydrophobicContact CD1-CD1 4.05Å; L267-I270 CarbonylContact O-C 3.59Å; L267-I270 WeakPolarHBondContact O-CA 3.48Å; L267-I270 WeakPolarHBondContact O-CB 3.46Å; L267-I270 PolarHBondContact O-N 2.59Å; L267-D271 PolarHBondContact O-N 3.03Å; L267-I306 HydrophobicContact CD1-CB 3.89Å; L267-I306 HydrophobicContact CD1-CD1 3.8Å; L267-I306 HydrophobicContact CD1-CG1 4.46Å; L267-I306 HydrophobicContact CD1-CG2 3.52Å; L267-A396 HydrophobicContact CD1-CB 4.31Å; L267-V398 HydrophobicContact CD2-CG1 4.19Å; L267-V398 HydrophobicContact CD2-CG2 4.08Å; L267-V398 HydrophobicContact CG-CG2 4.21Å
268	S	95.4	Very high	96.7	Very high	72 Å²	72	49.9 Å²	49.9	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-58.3	-25.9	179.1	61.7	0	0	0	0	113.9	R272	S268-R272 VanDerWaalsContact O-CD 3.28Å; S268-R272 WeakPolarHBondContact O-CD 3.21Å; S268-R272 WeakPolarHBondContact O-CG 3.29Å; S268-R272 PolarHBondContact O-N 2.93Å
269	A	96.5	Very high	96.7	Very high	14 Å²	14	54.3 Å²	54.3	12%	0.116	31%	0.312	C	S	.	.	H	α-helix	trans	-70.7	-29	171.9	0	0	0	0	0	113.7	L267 A273 V369	L267-A269 PolarHBondContact O-N 2.76Å; A269-A273 WeakPolarHBondContact O-CB 3.36Å; A269-V369 HydrophobicContact CB-CG1 3.89Å
270	I	96.3	Very high	96.6	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.015	32%	0.319	C	S	.	.	H	α-helix	trans	-84.3	-38.3	173.1	-64.8	176.8	0	0	0	109.9	L267 R272 A273 V277 K278 T281 I306 V372 I394	L267-I270 HydrophobicContact CB-CB 4.33Å; L267-I270 HydrophobicContact CB-CD1 4.12Å; L267-I270 HydrophobicContact CB-CG1 4.13Å; L267-I270 HydrophobicContact CD1-CD1 4.05Å; L267-I270 CarbonylContact O-C 3.59Å; L267-I270 WeakPolarHBondContact O-CA 3.48Å; L267-I270 WeakPolarHBondContact O-CB 3.46Å; L267-I270 PolarHBondContact O-N 2.59Å; I270-R272 PolarHBondContact O-N 2.67Å; I270-A273 WeakPolarHBondContact O-CB 3.37Å; I270-A273 PolarHBondContact O-N 2.82Å; I270-V277 HydrophobicContact CG2-CG1 4.25Å; I270-K278 HydrophobicContact CG2-CG 4.07Å; I270-K278 WeakPolarHBondContact O-CE 3.48Å; I270-T281 HydrophobicContact CD1-CG2 3.86Å; I270-T281 HydrophobicContact CG2-CG2 4.32Å; I270-I306 HydrophobicContact CD1-CD1 4.49Å; I270-V372 HydrophobicContact CG1-CG2 4.04Å; I270-I394 HydrophobicContact CD1-CG2 4Å
271	D	95.5	Very high	96.6	Very high	74 Å²	74	55.9 Å²	55.9	40%	0.396	32%	0.316	S	S	.	.	H	α-helix	trans	-58.8	-34.7	179.4	-67.8	-39.8	0	0	0	113.2	S266 L267 K278	S266-D271 VanDerWaalsContact CB-OD1 3.23Å; S266-D271 WeakPolarHBondContact CB-OD1 3.34Å; S266-D271 WeakPolarHBondContact CB-OD2 3.34Å; S266-D271 PolarHBondContact OG-OD1 2.84Å; S266-D271 PolarHBondContact OG-OD2 2.81Å; L267-D271 PolarHBondContact O-N 3.03Å; D271-K278 VanDerWaalsContact CA-CE 3.43Å; D271-K278 VanDerWaalsContact O-CE 3.3Å; D271-K278 WeakPolarHBondContact O-CE 3.31Å; D271-K278 PolarHBondContact O-NZ 3.29Å
272	R	96.7	Very high	96.6	Very high	209 Å²	209	55.7 Å²	55.7	79%	0.789	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-9.9	177.7	-64.2	167.9	-172.6	173.5	1.8	114.2	S268 I270 G274	S268-R272 VanDerWaalsContact O-CD 3.28Å; S268-R272 WeakPolarHBondContact O-CD 3.21Å; S268-R272 WeakPolarHBondContact O-CG 3.29Å; S268-R272 PolarHBondContact O-N 2.93Å; I270-R272 PolarHBondContact O-N 2.67Å; R272-G274 VanDerWaalsContact C-N 3.33Å; R272-G274 PolarHBondContact O-N 3.12Å
273	A	95.7	Very high	96.7	Very high	29 Å²	29	57.9 Å²	57.9	24%	0.24	32%	0.322	C	S	.	.	S	Bend	trans	-85.7	3.5	-172.1	0	0	0	0	0	115	A269 I270 V277 V372	A269-A273 WeakPolarHBondContact O-CB 3.36Å; I270-A273 WeakPolarHBondContact O-CB 3.37Å; I270-A273 PolarHBondContact O-N 2.82Å; A273-V277 HydrophobicContact CB-CB 3.71Å; A273-V277 HydrophobicContact CB-CG1 3.82Å; A273-V277 HydrophobicContact CB-CG2 3.82Å; A273-V372 HydrophobicContact CB-CB 4.48Å; A273-V372 VanDerWaalsContact CB-O 3.27Å; A273-V372 WeakPolarHBondContact CB-O 3.47Å
274	G	94.9	Very high	96.7	Very high	37 Å²	37	54.9 Å²	54.9	38%	0.381	30%	0.303	S	S	.	.			trans	82.5	-176.1	179.3	0	0	0	0	0	114.4	R272 K278	R272-G274 VanDerWaalsContact C-N 3.33Å; R272-G274 PolarHBondContact O-N 3.12Å; G274-K278 WeakPolarHBondContact O-CG 3.37Å; G274-K278 PolarHBondContact O-N 2.83Å
275	A	96.4	Very high	96.7	Very high	81 Å²	81	56 Å²	56	67%	0.669	30%	0.304	S	S	*	.	H	α-helix	trans	-71.1	-36.4	-170.6	0	0	0	0	0	113.8	V277 K278 S279	A275-V277 PolarHBondContact O-N 2.89Å; A275-K278 PolarHBondContact O-N 2.77Å; A275-S279 PolarHBondContact O-N 3.16Å; A275-S279 PolarHBondContact O-OG 2.56Å
276	E	96.9	Very high	96.8	Very high	105 Å²	105	54.3 Å²	54.3	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-67.9	-36.6	-175.6	-165.6	-172.2	167.7	0	0	113.1	S279 R280 V374	E276-S279 PolarHBondContact O-OG 3.47Å; E276-S279 VanDerWaalsContact O-OG 3.07Å; E276-R280 WeakPolarHBondContact O-CG 3.46Å; E276-R280 PolarHBondContact O-N 2.89Å; E276-V374 HydrophobicContact CG-CG2 4.13Å
277	V	98.3	Very high	97.1	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-71.5	-34.4	173.6	176.5	0	0	0	0	110.9	I270 A273 A275 R280 T281 V372 V374 L379	I270-V277 HydrophobicContact CG2-CG1 4.25Å; A273-V277 HydrophobicContact CB-CB 3.71Å; A273-V277 HydrophobicContact CB-CG1 3.82Å; A273-V277 HydrophobicContact CB-CG2 3.82Å; A275-V277 PolarHBondContact O-N 2.89Å; V277-R280 CarbonylContact O-C 3.47Å; V277-R280 PolarHBondContact O-N 2.68Å; V277-T281 PolarHBondContact O-N 2.65Å; V277-T281 PolarHBondContact O-OG1 2.76Å; V277-V372 HydrophobicContact CG1-CB 3.93Å; V277-V372 HydrophobicContact CG1-CG1 3.48Å; V277-V372 VanDerWaalsContact CG1-CG1 3.48Å; V277-V372 HydrophobicContact CG2-CG1 4.28Å; V277-V374 HydrophobicContact CG2-CG2 4.07Å; V277-L379 HydrophobicContact CB-CD2 4.34Å; V277-L379 HydrophobicContact CG1-CD2 4.24Å; V277-L379 HydrophobicContact CG2-CD2 3.97Å
278	K	97.5	Very high	97.3	Very high	93 Å²	93	52.5 Å²	52.5	40%	0.404	30%	0.296	S	S	.	.	H	α-helix	trans	-68.4	-41.9	176.8	-72.7	178.2	-177	-177.1	0	112.7	I270 D271 G274 A275 R280 T281	I270-K278 HydrophobicContact CG2-CG 4.07Å; I270-K278 WeakPolarHBondContact O-CE 3.48Å; D271-K278 VanDerWaalsContact CA-CE 3.43Å; D271-K278 VanDerWaalsContact O-CE 3.3Å; D271-K278 WeakPolarHBondContact O-CE 3.31Å; D271-K278 PolarHBondContact O-NZ 3.29Å; G274-K278 WeakPolarHBondContact O-CG 3.37Å; G274-K278 PolarHBondContact O-N 2.83Å; A275-K278 PolarHBondContact O-N 2.77Å; K278-R280 PolarHBondContact O-N 3.38Å; K278-T281 PolarHBondContact O-N 2.91Å; K278-T281 VanDerWaalsContact O-N 3.12Å
279	S	97.6	Very high	97.4	Very high	94 Å²	94	50.9 Å²	50.9	66%	0.657	28%	0.281	S	S	*	.	H	α-helix	trans	-66.3	-21.3	176.2	59.7	0	0	0	0	113.1	A275 E276	A275-S279 PolarHBondContact O-N 3.16Å; A275-S279 PolarHBondContact O-OG 2.56Å; E276-S279 PolarHBondContact O-OG 3.47Å; E276-S279 VanDerWaalsContact O-OG 3.07Å
280	R	98.3	Very high	97.6	Very high	51 Å²	51	50.3 Å²	50.3	19%	0.192	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	25.9	173.9	-56.4	172.6	67.1	161.8	4.9	113.2	E276 V277 K278 G377 L379 D392 H393 I394	E276-R280 WeakPolarHBondContact O-CG 3.46Å; E276-R280 PolarHBondContact O-N 2.89Å; V277-R280 CarbonylContact O-C 3.47Å; V277-R280 PolarHBondContact O-N 2.68Å; K278-R280 PolarHBondContact O-N 3.38Å; R280-G377 PolarHBondContact NH1-O 2.82Å; R280-G377 PolarHBondContact NH2-O 3.43Å; R280-G377 VanDerWaalsContact NH2-O 3.14Å; R280-L379 HydrophobicContact CB-CD1 3.83Å; R280-L379 HydrophobicContact CB-CD2 4.19Å; R280-L379 HydrophobicContact CB-CG 4.32Å; R280-D392 PolarHBondContact NE-O 3.46Å; R280-D392 PolarHBondContact NH2-O 3.43Å; R280-H393 PolarHBondContact O-CE1 2.96Å; R280-H393 PolarHBondContact O-ND1 2.64Å; R280-I394 PolarHBondContact O-N 3.14Å
281	T	98.7	Very high	97.7	Very high	20 Å²	20	54.2 Å²	54.2	12%	0.123	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	123.6	174.9	-62.8	0	0	0	0	110.7	I270 V277 K278 L283 I394	I270-T281 HydrophobicContact CD1-CG2 3.86Å; I270-T281 HydrophobicContact CG2-CG2 4.32Å; V277-T281 PolarHBondContact O-N 2.65Å; V277-T281 PolarHBondContact O-OG1 2.76Å; K278-T281 PolarHBondContact O-N 2.91Å; K278-T281 VanDerWaalsContact O-N 3.12Å; T281-L283 HydrophobicContact CG2-CD2 4.14Å; T281-I394 CarbonylContact C-O 3.55Å; T281-I394 WeakPolarHBondContact CA-O 3.22Å; T281-I394 HydrophobicContact CG2-CG2 4.18Å
282	T	98.8	Very high	97.8	Very high	9 Å²	9	53.2 Å²	53.2	6%	0.055	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	131.7	170.4	-62.4	0	0	0	0	111	F284 D289 H393 I394 V395 A396	T282-F284 HydrophobicContact CG2-CB 4.37Å; T282-F284 HydrophobicContact CG2-CD2 4.13Å; T282-D289 HydrophobicContact CG2-CB 3.95Å; T282-H393 PolarHBondContact N-NE2 3.39Å; T282-H393 PolarHBondContact OG1-NE2 3.43Å; T282-I394 PolarHBondContact N-O 2.82Å; T282-V395 WeakPolarHBondContact O-CA 3.39Å; T282-A396 PolarHBondContact O-N 3.24Å
283	L	98.6	Very high	97.9	Very high	52 Å²	52	43.3 Å²	43.3	27%	0.272	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	86	172	-62.8	-170	0	0	0	109.3	P264 T281 R285 A396	P264-L283 HydrophobicContact CB-CB 3.97Å; P264-L283 HydrophobicContact CG-CB 4.19Å; T281-L283 HydrophobicContact CG2-CD2 4.14Å; L283-R285 PolarHBondContact O-N 2.86Å; L283-A396 HydrophobicContact CD2-CB 3.77Å
284	F	98.5	Very high	98	Very high	8 Å²	8	43 Å²	43	4%	0.035	25%	0.246	C	C	.	.			trans	-69.3	113.2	-159.6	-160.9	-89	0	0	0	114.3	L175 W180 T282 D289 F290 L293 L311 L315 V395	L175-F284 HydrophobicContact CB-CE1 3.87Å; L175-F284 HydrophobicContact CB-CZ 4.22Å; L175-F284 WeakPolarHBondContact O-CE1 3.25Å; L175-F284 WeakPolarHBondContact O-CZ 3.3Å; W180-F284 HydrophobicContact CZ2-CE2 4.28Å; W180-F284 HydrophobicContact CZ2-CZ 4.44Å; T282-F284 HydrophobicContact CG2-CB 4.37Å; T282-F284 HydrophobicContact CG2-CD2 4.13Å; F284-D289 HydrophobicContact CD2-CB 3.76Å; F284-D289 HydrophobicContact CE2-CB 4.08Å; F284-D289 HydrophobicContact CG-CB 4.25Å; F284-F290 HydrophobicContact CE2-CB 4.35Å; F284-F290 HydrophobicContact CZ-CB 4.02Å; F284-L293 HydrophobicContact CD2-CD2 3.68Å; F284-L293 HydrophobicContact CE2-CB 4.25Å; F284-L293 HydrophobicContact CE2-CD2 3.79Å; F284-L311 HydrophobicContact CD1-CD1 4.21Å; F284-L315 HydrophobicContact CB-CD1 3.97Å; F284-L315 HydrophobicContact CD1-CD1 3.92Å; F284-L315 HydrophobicContact CD1-CD2 4.18Å; F284-L315 HydrophobicContact CD2-CD1 4.33Å; F284-L315 HydrophobicContact CD2-CD2 4.32Å; F284-L315 HydrophobicContact CE1-CD2 3.96Å; F284-L315 HydrophobicContact CE2-CD2 4.11Å; F284-L315 HydrophobicContact CG-CD1 3.81Å; F284-L315 HydrophobicContact CG-CD2 4.35Å; F284-L315 HydrophobicContact CZ-CD2 3.93Å; F284-V395 HydrophobicContact CB-CG1 4.23Å
285	R	97.6	Very high	98.2	Very high	51 Å²	51	46 Å²	46	19%	0.192	25%	0.248	C	C	.	.			trans	-146.4	-37.5	-176.5	-169.1	78.7	-163	101.7	-9.7	115.7	R172 G262 P264 L283 D289 D438	R172-R285 PolarHBondContact NH1-O 2.79Å; G262-R285 PolarHBondContact O-NE 2.88Å; G262-R285 VanDerWaalsContact O-NE 3.16Å; P264-R285 HydrophobicContact CG-CB 3.65Å; P264-R285 HydrophobicContact CG-CG 4.04Å; L283-R285 PolarHBondContact O-N 2.86Å; R285-D289 PolarHBondContact N-OD2 3.3Å; R285-D438 IonicContact CZ-OD2 3.54Å; R285-D438 IonicContact NH2-OD2 2.94Å; R285-D438 PolarHBondContact NH2-OD2 3.49Å
286	K	98.3	Very high	98.3	Very high	60 Å²	60	43.2 Å²	43.2	26%	0.261	22%	0.222	S	C	.	.	S	Bend	trans	-124.4	170.5	-163.3	-64.4	177	175.2	-167.8	0	111.6	E164 D165 Y170 G288 D289 F290	E164-K286 IonicContact OE1-NZ 3.07Å; E164-K286 PolarHBondContact OE1-NZ 2.75Å; D165-K286 WeakPolarHBondContact OD1-CD 3.49Å; D165-K286 WeakPolarHBondContact OD1-CE 3.48Å; D165-K286 IonicContact OD1-NZ 3.64Å; D165-K286 PolarHBondContact OD1-NZ 3.49Å; Y170-K286 WeakPolarHBondContact OH-CA 3.41Å; K286-G288 VanDerWaalsContact C-N 3.26Å; K286-G288 PolarHBondContact O-N 3.36Å; K286-D289 PolarHBondContact N-OD2 3.23Å; K286-D289 WeakPolarHBondContact O-CB 3.39Å; K286-D289 PolarHBondContact O-N 2.88Å; K286-D289 VanDerWaalsContact O-N 3.09Å; K286-F290 PolarHBondContact O-N 3.32Å
287	I	98.7	Very high	98.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.1	-36.9	178.1	-75.9	164.8	0	0	0	112.3	E167 Y170 L175 L191 I203 D289 F290 R291	E167-I287 HydrophobicContact CB-CD1 4.08Å; E167-I287 HydrophobicContact CG-CB 4.5Å; E167-I287 HydrophobicContact CG-CD1 3.76Å; E167-I287 HydrophobicContact CG-CG2 4.44Å; E167-I287 VanDerWaalsContact OE1-CG2 3.27Å; E167-I287 WeakPolarHBondContact OE1-CG2 3.4Å; Y170-I287 HydrophobicContact CD1-CD1 3.53Å; Y170-I287 HydrophobicContact CD1-CG1 4.47Å; Y170-I287 HydrophobicContact CD2-CD1 3.74Å; Y170-I287 HydrophobicContact CD2-CG1 4.01Å; Y170-I287 HydrophobicContact CE1-CD1 3.71Å; Y170-I287 HydrophobicContact CE1-CG1 4.31Å; Y170-I287 HydrophobicContact CE2-CD1 3.91Å; Y170-I287 HydrophobicContact CE2-CG1 3.82Å; Y170-I287 HydrophobicContact CG-CD1 3.56Å; Y170-I287 HydrophobicContact CG-CG1 4.34Å; L175-I287 HydrophobicContact CD2-CG1 4.06Å; L191-I287 HydrophobicContact CD1-CB 4.39Å; L191-I287 HydrophobicContact CD1-CD1 3.73Å; L191-I287 HydrophobicContact CD1-CG1 4.01Å; L191-I287 HydrophobicContact CD1-CG2 3.47Å; L191-I287 VanDerWaalsContact CD1-CG2 3.47Å; L191-I287 HydrophobicContact CD2-CG2 4.28Å; I203-I287 HydrophobicContact CD1-CD1 4.38Å; I203-I287 HydrophobicContact CD1-CG1 4.15Å; I203-I287 HydrophobicContact CG2-CD1 4.38Å; I287-D289 VanDerWaalsContact C-N 3.32Å; I287-D289 PolarHBondContact O-N 2.96Å; I287-F290 PolarHBondContact O-N 2.75Å; I287-R291 VanDerWaalsContact CG2-NH1 3.29Å; I287-R291 PolarHBondContact O-N 3.47Å
288	G	98.3	Very high	98.2	Very high	39 Å²	39	44.8 Å²	44.8	40%	0.402	22%	0.224	S	C	.	.	H	α-helix	trans	-59.5	-38.4	174.4	0	0	0	0	0	113.5	K286 R291 S292	K286-G288 VanDerWaalsContact C-N 3.26Å; K286-G288 PolarHBondContact O-N 3.36Å; G288-R291 PolarHBondContact O-N 3.42Å; G288-S292 VanDerWaalsContact O-CB 3.26Å; G288-S292 WeakPolarHBondContact O-CB 3.39Å; G288-S292 PolarHBondContact O-N 2.87Å
289	D	98.6	Very high	98.2	Very high	38 Å²	38	45.3 Å²	45.3	20%	0.203	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-39.7	178.4	-54.4	-53.9	0	0	0	111.5	T282 F284 R285 K286 I287 S292 L293	T282-D289 HydrophobicContact CG2-CB 3.95Å; F284-D289 HydrophobicContact CD2-CB 3.76Å; F284-D289 HydrophobicContact CE2-CB 4.08Å; F284-D289 HydrophobicContact CG-CB 4.25Å; R285-D289 PolarHBondContact N-OD2 3.3Å; K286-D289 PolarHBondContact N-OD2 3.23Å; K286-D289 WeakPolarHBondContact O-CB 3.39Å; K286-D289 PolarHBondContact O-N 2.88Å; K286-D289 VanDerWaalsContact O-N 3.09Å; I287-D289 VanDerWaalsContact C-N 3.32Å; I287-D289 PolarHBondContact O-N 2.96Å; D289-S292 PolarHBondContact O-N 3.33Å; D289-L293 WeakPolarHBondContact O-CB 3.48Å; D289-L293 PolarHBondContact O-N 2.74Å
290	F	98.8	Very high	98.3	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-52.8	172.7	167.3	-112.9	0	0	0	111.3	L175 L179 W180 T188 L191 F284 K286 I287 S292 L293 E294	L175-F290 HydrophobicContact CD2-CB 3.87Å; L175-F290 HydrophobicContact CD2-CG 4.31Å; L179-F290 HydrophobicContact CB-CD2 4.44Å; L179-F290 HydrophobicContact CB-CE1 4.19Å; L179-F290 HydrophobicContact CB-CE2 3.77Å; L179-F290 HydrophobicContact CB-CZ 3.64Å; L179-F290 HydrophobicContact CD1-CD1 4.27Å; L179-F290 HydrophobicContact CD1-CE1 4.17Å; L179-F290 HydrophobicContact CD1-CZ 4.44Å; L179-F290 HydrophobicContact CD2-CE1 4.35Å; L179-F290 HydrophobicContact CD2-CZ 4.45Å; L179-F290 HydrophobicContact CG-CE1 4.49Å; L179-F290 HydrophobicContact CG-CZ 4.4Å; W180-F290 HydrophobicContact CD2-CE2 4.21Å; W180-F290 AromaticContact CE2-CD2 3.75Å; W180-F290 AromaticContact CE2-CE2 3.86Å; W180-F290 HydrophobicContact CG-CE2 4.48Å; W180-F290 AromaticContact CZ2-CD2 3.8Å; W180-F290 HydrophobicContact CZ2-CD2 3.8Å; W180-F290 HydrophobicContact CZ2-CE2 4.17Å; W180-F290 AromaticContact NE1-CD2 3.72Å; W180-F290 AromaticContact NE1-CE2 3.92Å; T188-F290 HydrophobicContact CG2-CE1 4.22Å; T188-F290 HydrophobicContact CG2-CZ 4.28Å; L191-F290 HydrophobicContact CD2-CD1 4Å; L191-F290 HydrophobicContact CD2-CE1 3.97Å; F284-F290 HydrophobicContact CE2-CB 4.35Å; F284-F290 HydrophobicContact CZ-CB 4.02Å; K286-F290 PolarHBondContact O-N 3.32Å; I287-F290 PolarHBondContact O-N 2.75Å; F290-S292 VanDerWaalsContact C-N 3.31Å; F290-S292 PolarHBondContact O-N 3.16Å; F290-L293 PolarHBondContact O-N 2.67Å; F290-E294 HydrophobicContact CE2-CB 4.27Å; F290-E294 HydrophobicContact CE2-CG 4.4Å; F290-E294 HydrophobicContact CZ-CG 4.47Å; F290-E294 WeakPolarHBondContact O-CB 3.46Å; F290-E294 PolarHBondContact O-N 3.41Å
291	R	98.5	Very high	98.3	Very high	86 Å²	86	46.5 Å²	46.5	33%	0.325	23%	0.226	S	C	.	.	H	α-helix	trans	-59.5	-40.7	179	-72	172.4	170.3	149.7	-5.2	112.5	E167 T188 I287 G288 K295	E167-R291 IonicContact OE1-NH1 2.71Å; E167-R291 PolarHBondContact OE1-NH1 2.87Å; E167-R291 VanDerWaalsContact OE1-NH1 3.07Å; T188-R291 PolarHBondContact O-NE 3.47Å; I287-R291 VanDerWaalsContact CG2-NH1 3.29Å; I287-R291 PolarHBondContact O-N 3.47Å; G288-R291 PolarHBondContact O-N 3.42Å; R291-K295 WeakPolarHBondContact O-CB 3.09Å; R291-K295 PolarHBondContact O-N 2.68Å
292	S	98.4	Very high	98.3	Very high	53 Å²	53	46 Å²	46	37%	0.371	22%	0.223	S	C	.	.	H	α-helix	trans	-67.1	-51.6	177.8	-175.5	0	0	0	0	111.8	G288 D289 F290 E294 K295 I296	G288-S292 VanDerWaalsContact O-CB 3.26Å; G288-S292 WeakPolarHBondContact O-CB 3.39Å; G288-S292 PolarHBondContact O-N 2.87Å; D289-S292 PolarHBondContact O-N 3.33Å; F290-S292 VanDerWaalsContact C-N 3.31Å; F290-S292 PolarHBondContact O-N 3.16Å; S292-E294 PolarHBondContact O-N 2.69Å; S292-K295 WeakPolarHBondContact O-CB 3.4Å; S292-K295 PolarHBondContact O-N 3.35Å; S292-I296 WeakPolarHBondContact O-CD1 3.48Å; S292-I296 VanDerWaalsContact O-CG1 3.25Å; S292-I296 WeakPolarHBondContact O-CG1 3.34Å; S292-I296 PolarHBondContact O-N 3.14Å
293	L	98.6	Very high	98.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69.9	-33	-176.5	-170.7	59.3	0	0	0	112.5	W180 F284 D289 F290 I296 S297 I303 L315 L319 V395	W180-L293 HydrophobicContact CH2-CB 4.06Å; W180-L293 HydrophobicContact CH2-CD2 4.22Å; W180-L293 HydrophobicContact CH2-CG 3.87Å; W180-L293 HydrophobicContact CZ2-CB 4.36Å; W180-L293 HydrophobicContact CZ2-CD2 4.2Å; W180-L293 HydrophobicContact CZ2-CG 4.29Å; F284-L293 HydrophobicContact CD2-CD2 3.68Å; F284-L293 HydrophobicContact CE2-CB 4.25Å; F284-L293 HydrophobicContact CE2-CD2 3.79Å; D289-L293 WeakPolarHBondContact O-CB 3.48Å; D289-L293 PolarHBondContact O-N 2.74Å; F290-L293 PolarHBondContact O-N 2.67Å; L293-I296 PolarHBondContact O-N 3.03Å; L293-S297 WeakPolarHBondContact O-CB 3.33Å; L293-S297 PolarHBondContact O-N 3.48Å; L293-I303 HydrophobicContact CD1-CD1 4.42Å; L293-L315 HydrophobicContact CD2-CD2 4.44Å; L293-L319 HydrophobicContact CD2-CD1 4.28Å; L293-V395 HydrophobicContact CD1-CG2 3.52Å; L293-V395 HydrophobicContact CD2-CG1 4.32Å; L293-V395 HydrophobicContact CD2-CG2 3.76Å; L293-V395 HydrophobicContact CG-CG2 4.31Å
294	E	98.1	Very high	98.3	Very high	24 Å²	24	43.4 Å²	43.4	11%	0.112	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-47.9	173.8	-169.2	-73	148.3	0	0	110.3	W180 T188 F290 S292 I296 S297 R298	W180-E294 HydrophobicContact CH2-CB 4.08Å; W180-E294 HydrophobicContact CZ3-CB 4.19Å; W180-E294 HydrophobicContact CZ3-CG 4.41Å; T188-E294 HydrophobicContact CG2-CB 4.33Å; T188-E294 HydrophobicContact CG2-CG 3.85Å; T188-E294 WeakPolarHBondContact CG2-OE2 3.37Å; F290-E294 HydrophobicContact CE2-CB 4.27Å; F290-E294 HydrophobicContact CE2-CG 4.4Å; F290-E294 HydrophobicContact CZ-CG 4.47Å; F290-E294 WeakPolarHBondContact O-CB 3.46Å; F290-E294 PolarHBondContact O-N 3.41Å; S292-E294 PolarHBondContact O-N 2.69Å; E294-I296 PolarHBondContact O-N 3.28Å; E294-S297 PolarHBondContact O-N 2.87Å; E294-S297 PolarHBondContact O-OG 3.16Å; E294-R298 VanDerWaalsContact CD-NE 3.33Å; E294-R298 PolarHBondContact O-N 2.83Å; E294-R298 WeakPolarHBondContact OE1-CD 3.49Å; E294-R298 IonicContact OE1-CZ 3.22Å; E294-R298 IonicContact OE1-NE 3.72Å; E294-R298 PolarHBondContact OE1-NE 3.33Å; E294-R298 IonicContact OE1-NH2 2.64Å; E294-R298 IonicContact OE2-CZ 2.69Å; E294-R298 IonicContact OE2-NE 2.75Å; E294-R298 PolarHBondContact OE2-NE 3.19Å; E294-R298 IonicContact OE2-NH2 2.62Å; E294-R298 PolarHBondContact OE2-NH2 3.48Å
295	K	98.1	Very high	98.3	Very high	99 Å²	99	43 Å²	43	43%	0.43	21%	0.207	S	C	.	.	H	α-helix	trans	-57	-49.2	173.5	-178.2	-177.5	-176.2	-63	0	111.7	R291 S292 S297 R298 E299	R291-K295 WeakPolarHBondContact O-CB 3.09Å; R291-K295 PolarHBondContact O-N 2.68Å; S292-K295 WeakPolarHBondContact O-CB 3.4Å; S292-K295 PolarHBondContact O-N 3.35Å; K295-S297 VanDerWaalsContact C-N 3.3Å; K295-S297 PolarHBondContact O-N 3.03Å; K295-R298 PolarHBondContact O-N 2.83Å; K295-R298 VanDerWaalsContact O-N 3.16Å; K295-E299 VanDerWaalsContact CE-OE1 3.24Å; K295-E299 WeakPolarHBondContact CE-OE1 3.33Å; K295-E299 WeakPolarHBondContact CG-OE1 3.19Å; K295-E299 IonicContact NZ-OE1 2.75Å; K295-E299 PolarHBondContact NZ-OE1 3.42Å; K295-E299 IonicContact NZ-OE2 2.77Å; K295-E299 PolarHBondContact NZ-OE2 3Å; K295-E299 WeakPolarHBondContact O-CG 3.48Å; K295-E299 PolarHBondContact O-N 3.4Å
296	I	98.4	Very high	98.4	Very high	23 Å²	23	41 Å²	41	12%	0.118	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-42.2	178.1	-70.2	162	0	0	0	110.9	S292 L293 E294 R298 E299 V300 I303 H393	S292-I296 WeakPolarHBondContact O-CD1 3.48Å; S292-I296 VanDerWaalsContact O-CG1 3.25Å; S292-I296 WeakPolarHBondContact O-CG1 3.34Å; S292-I296 PolarHBondContact O-N 3.14Å; L293-I296 PolarHBondContact O-N 3.03Å; E294-I296 PolarHBondContact O-N 3.28Å; I296-R298 PolarHBondContact O-N 2.64Å; I296-R298 VanDerWaalsContact O-N 3.14Å; I296-E299 PolarHBondContact O-N 3.43Å; I296-V300 HydrophobicContact CG2-CG1 3.94Å; I296-V300 HydrophobicContact CG2-CG2 3.79Å; I296-V300 WeakPolarHBondContact O-CG2 3.19Å; I296-V300 PolarHBondContact O-N 3.19Å; I296-I303 HydrophobicContact CG2-CD1 4Å; I296-I303 HydrophobicContact CG2-CG1 4.42Å; I296-H393 HydrophobicContact CG2-CB 3.87Å
297	S	97.9	Very high	98.4	Very high	8 Å²	8	38.4 Å²	38.4	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-22.3	179.8	79.9	0	0	0	0	114.7	L293 E294 K295 L326	L293-S297 WeakPolarHBondContact O-CB 3.33Å; L293-S297 PolarHBondContact O-N 3.48Å; E294-S297 PolarHBondContact O-N 2.87Å; E294-S297 PolarHBondContact O-OG 3.16Å; K295-S297 VanDerWaalsContact C-N 3.3Å; K295-S297 PolarHBondContact O-N 3.03Å; S297-L326 WeakPolarHBondContact O-CD1 3.21Å
298	R	96.6	Very high	98.4	Very high	131 Å²	131	38.6 Å²	38.6	49%	0.494	19%	0.193	S	C	.	.	H	α-helix	trans	-92.4	-16.2	175	-68.1	-173.8	-77.1	98	-1.1	114	E294 K295 I296 L326	E294-R298 VanDerWaalsContact CD-NE 3.33Å; E294-R298 PolarHBondContact O-N 2.83Å; E294-R298 WeakPolarHBondContact OE1-CD 3.49Å; E294-R298 IonicContact OE1-CZ 3.22Å; E294-R298 IonicContact OE1-NE 3.72Å; E294-R298 PolarHBondContact OE1-NE 3.33Å; E294-R298 IonicContact OE1-NH2 2.64Å; E294-R298 IonicContact OE2-CZ 2.69Å; E294-R298 IonicContact OE2-NE 2.75Å; E294-R298 PolarHBondContact OE2-NE 3.19Å; E294-R298 IonicContact OE2-NH2 2.62Å; E294-R298 PolarHBondContact OE2-NH2 3.48Å; K295-R298 PolarHBondContact O-N 2.83Å; K295-R298 VanDerWaalsContact O-N 3.16Å; I296-R298 PolarHBondContact O-N 2.64Å; I296-R298 VanDerWaalsContact O-N 3.14Å; R298-L326 HydrophobicContact CG-CD1 4.36Å
299	E	97.6	Very high	98.4	Very high	105 Å²	105	38.3 Å²	38.3	49%	0.491	19%	0.19	S	C	.	.	H	α-helix	trans	-109.9	-33.9	-169.5	-71.1	173.6	-174.9	0	0	113.7	K295 I296	K295-E299 VanDerWaalsContact CE-OE1 3.24Å; K295-E299 WeakPolarHBondContact CE-OE1 3.33Å; K295-E299 WeakPolarHBondContact CG-OE1 3.19Å; K295-E299 IonicContact NZ-OE1 2.75Å; K295-E299 PolarHBondContact NZ-OE1 3.42Å; K295-E299 IonicContact NZ-OE2 2.77Å; K295-E299 PolarHBondContact NZ-OE2 3Å; K295-E299 WeakPolarHBondContact O-CG 3.48Å; K295-E299 PolarHBondContact O-N 3.4Å; I296-E299 PolarHBondContact O-N 3.43Å
300	V	98.4	Very high	98.4	Very high	35 Å²	35	37.8 Å²	37.8	21%	0.212	19%	0.186	C	C	.	.			trans	-98.1	170.4	-176.3	-48.3	0	0	0	0	113.2	I296 I303 T328 D392	I296-V300 HydrophobicContact CG2-CG1 3.94Å; I296-V300 HydrophobicContact CG2-CG2 3.79Å; I296-V300 WeakPolarHBondContact O-CG2 3.19Å; I296-V300 PolarHBondContact O-N 3.19Å; V300-I303 HydrophobicContact CG2-CD1 4.03Å; V300-I303 HydrophobicContact CG2-CG1 3.58Å; V300-T328 WeakPolarHBondContact O-CG2 3.26Å; V300-D392 HydrophobicContact CB-CB 3.56Å; V300-D392 HydrophobicContact CG1-CB 4.03Å; V300-D392 HydrophobicContact CG2-CB 3.89Å
301	K	98.1	Very high	98.4	Very high	134 Å²	134	40.9 Å²	40.9	58%	0.583	20%	0.202	S	C	*	.	S	Bend	trans	-105.6	-24.4	-176.2	-63.9	-55	-173.1	-175.6	0	114.9	T328 E329 D392	K301-T328 HydrophobicContact CD-CG2 3.98Å; K301-E329 PolarHBondContact O-N 2.87Å; K301-D392 PolarHBondContact N-OD2 3.08Å
302	S	98.7	Very high	98.4	Very high	9 Å²	9	36.8 Å²	36.8	6%	0.063	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.7	174	177.2	0	0	0	0	111.4	E329 T391 D392 H393	S302-E329 WeakPolarHBondContact CA-O 3.3Å; S302-E329 WeakPolarHBondContact CB-OE2 3.46Å; S302-E329 PolarHBondContact OG-OE2 2.92Å; S302-T391 VanDerWaalsContact C-OG1 3.26Å; S302-T391 PolarHBondContact O-OG1 3.12Å; S302-T391 VanDerWaalsContact O-OG1 3.05Å; S302-T391 PolarHBondContact OG-OG1 3.11Å; S302-D392 PolarHBondContact N-OD2 3.3Å; S302-D392 VanDerWaalsContact N-OD2 3.07Å; S302-D392 WeakPolarHBondContact O-CB 3.32Å; S302-D392 PolarHBondContact O-N 2.89Å; S302-H393 PolarHBondContact O-N 3.33Å
303	I	98.9	Very high	98.4	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.2	172.5	-61	176	0	0	0	109.3	L293 I296 V300 L319 E329 V330 I331 V395	L293-I303 HydrophobicContact CD1-CD1 4.42Å; I296-I303 HydrophobicContact CG2-CD1 4Å; I296-I303 HydrophobicContact CG2-CG1 4.42Å; V300-I303 HydrophobicContact CG2-CD1 4.03Å; V300-I303 HydrophobicContact CG2-CG1 3.58Å; I303-L319 HydrophobicContact CD1-CD2 4.29Å; I303-L319 HydrophobicContact CG2-CD1 4.17Å; I303-E329 PolarHBondContact N-O 3.23Å; I303-V330 WeakPolarHBondContact O-CA 3.19Å; I303-I331 PolarHBondContact O-N 3.1Å; I303-V395 HydrophobicContact CG2-CG2 4.01Å
304	T	98.9	Very high	98.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.9	175.6	-59.4	0	0	0	0	112.1	I306 I331 L333 I381 T391 H393 I394 V395	T304-I306 HydrophobicContact CG2-CG1 4.28Å; T304-I331 CarbonylContact C-O 3.57Å; T304-I331 WeakPolarHBondContact CA-O 3.42Å; T304-I331 HydrophobicContact CG2-CB 4.2Å; T304-I331 HydrophobicContact CG2-CG2 4.31Å; T304-L333 HydrophobicContact CG2-CD2 3.54Å; T304-L333 HydrophobicContact CG2-CG 4.05Å; T304-I381 HydrophobicContact CG2-CD1 3.68Å; T304-T391 PolarHBondContact N-OG1 3.35Å; T304-T391 WeakPolarHBondContact OG1-CB 3.09Å; T304-T391 WeakPolarHBondContact OG1-CG2 3.28Å; T304-T391 PolarHBondContact OG1-OG1 3.18Å; T304-H393 PolarHBondContact N-O 2.97Å; T304-I394 CarbonylContact O-C 3.57Å; T304-I394 VanDerWaalsContact O-CA 3.31Å; T304-I394 WeakPolarHBondContact O-CA 3.38Å; T304-V395 PolarHBondContact O-N 2.84Å
305	I	98.9	Very high	98.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126	170.6	-55.1	168	0	0	0	108.6	L315 A316 L319 V330 I331 Q332 L333 V395	I305-L315 HydrophobicContact CD1-CB 4.15Å; I305-A316 VanDerWaalsContact CD1-CA 3.41Å; I305-A316 HydrophobicContact CD1-CB 3.76Å; I305-L319 HydrophobicContact CD1-CD1 4.12Å; I305-L319 HydrophobicContact CG1-CD1 4.41Å; I305-V330 HydrophobicContact CD1-CG1 4.18Å; I305-I331 PolarHBondContact N-O 3.3Å; I305-Q332 HydrophobicContact CB-CB 4.45Å; I305-Q332 HydrophobicContact CB-CG 4.16Å; I305-Q332 HydrophobicContact CG2-CG 4.22Å; I305-Q332 CarbonylContact O-C 3.5Å; I305-Q332 WeakPolarHBondContact O-CA 3.46Å; I305-L333 PolarHBondContact O-N 3Å; I305-V395 CarbonylContact C-O 3.59Å; I305-V395 WeakPolarHBondContact CA-O 3.48Å; I305-V395 HydrophobicContact CG1-CB 4.34Å
306	I	98.8	Very high	98.5	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.041	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	112.7	173.2	-50	174.7	0	0	0	108.6	L267 I270 T304 L333 V369 I381 I394 V395 A397 V398	L267-I306 HydrophobicContact CD1-CB 3.89Å; L267-I306 HydrophobicContact CD1-CD1 3.8Å; L267-I306 HydrophobicContact CD1-CG1 4.46Å; L267-I306 HydrophobicContact CD1-CG2 3.52Å; I270-I306 HydrophobicContact CD1-CD1 4.49Å; T304-I306 HydrophobicContact CG2-CG1 4.28Å; I306-L333 WeakPolarHBondContact CA-O 3.26Å; I306-L333 HydrophobicContact CB-CD1 4.44Å; I306-L333 HydrophobicContact CG1-CD1 4.11Å; I306-L333 HydrophobicContact CG1-CG 4.24Å; I306-L333 HydrophobicContact CG2-CD1 3.89Å; I306-V369 HydrophobicContact CD1-CG2 4.47Å; I306-V369 HydrophobicContact CG2-CG2 4.42Å; I306-I381 HydrophobicContact CD1-CD1 4.34Å; I306-I394 HydrophobicContact CD1-CD1 4.45Å; I306-I394 HydrophobicContact CD1-CG2 3.71Å; I306-I394 HydrophobicContact CG1-CG2 4.11Å; I306-V395 PolarHBondContact N-O 3.16Å; I306-A397 PolarHBondContact O-N 2.82Å; I306-V398 WeakPolarHBondContact O-CG1 3.37Å
307	G	98.6	Very high	98.5	Very high	7 Å²	7	27.8 Å²	27.8	7%	0.072	14%	0.14	C	C	.	.			trans	131.8	124.3	-178.1	0	0	0	0	0	112.9	Q332 L333	G307-Q332 PolarHBondContact O-NE2 2.98Å; G307-L333 PolarHBondContact N-O 3.25Å
308	G	98.3	Very high	98.5	Very high	4 Å²	4	27.4 Å²	27.4	4%	0.041	14%	0.137	C	C	.	.			trans	-89.5	-0.3	179.6	0	0	0	0	0	114.7	S313 M340	G308-S313 PolarHBondContact O-OG 3.23Å; G308-M340 PolarHBondContact O-N 2.64Å
309	G	98.6	Very high	98.6	Very high	32 Å²	32	21.3 Å²	21.3	33%	0.33	11%	0.114	S	C	.	.	S	Bend	trans	-66.8	174.9	-178.6	0	0	0	0	0	113.7	L311 G312 S313	G309-L311 PolarHBondContact O-N 3.28Å; G309-G312 PolarHBondContact O-N 2.91Å; G309-G312 VanDerWaalsContact O-N 3.14Å; G309-S313 PolarHBondContact O-N 2.77Å; G309-S313 PolarHBondContact O-OG 2.8Å
310	F	98.7	Very high	98.7	Very high	28 Å²	28	16.3 Å²	16.3	12%	0.123	9%	0.091	C	C	.	.	H	α-helix	trans	-51.5	-55	-178.8	-69.4	-76.5	0	0	0	112.4	G312 S313 E314 M340 I343 F482 S484 Y492	F310-G312 VanDerWaalsContact C-N 3.32Å; F310-G312 PolarHBondContact O-N 2.75Å; F310-S313 CarbonylContact O-C 3.53Å; F310-S313 PolarHBondContact O-N 3.28Å; F310-E314 WeakPolarHBondContact O-CG 3.5Å; F310-E314 PolarHBondContact O-N 3.3Å; F310-M340 HydrophobicContact CB-CG 4.48Å; F310-M340 HydrophobicContact CD1-CE 3.64Å; F310-M340 HydrophobicContact CD1-CG 3.69Å; F310-M340 HydrophobicContact CD1-SD 3.96Å; F310-M340 HydrophobicContact CD2-CG 3.93Å; F310-M340 HydrophobicContact CE1-CE 3.69Å; F310-M340 HydrophobicContact CE1-CG 3.83Å; F310-M340 HydrophobicContact CE1-SD 4.39Å; F310-M340 HydrophobicContact CE2-CG 4.04Å; F310-M340 HydrophobicContact CG-CG 3.75Å; F310-M340 HydrophobicContact CG-SD 4.32Å; F310-M340 HydrophobicContact CZ-CB 4.47Å; F310-M340 HydrophobicContact CZ-CG 3.99Å; F310-I343 HydrophobicContact CE2-CG1 4.33Å; F310-I343 HydrophobicContact CE2-CG2 4.46Å; F310-F482 HydrophobicContact CB-CE1 4.22Å; F310-F482 HydrophobicContact CB-CZ 3.79Å; F310-F482 AromaticContact CD1-CE1 3.85Å; F310-F482 HydrophobicContact CD1-CE1 3.85Å; F310-F482 HydrophobicContact CD1-CZ 4.28Å; F310-F482 HydrophobicContact CD2-CD1 4.45Å; F310-F482 AromaticContact CD2-CE1 3.49Å; F310-F482 HydrophobicContact CD2-CE1 3.49Å; F310-F482 VanDerWaalsContact CD2-CE1 3.49Å; F310-F482 AromaticContact CD2-CZ 3.7Å; F310-F482 HydrophobicContact CD2-CZ 3.7Å; F310-F482 AromaticContact CE1-CE1 4Å; F310-F482 HydrophobicContact CE1-CE1 4Å; F310-F482 HydrophobicContact CE2-CD1 4.28Å; F310-F482 AromaticContact CE2-CE1 3.66Å; F310-F482 HydrophobicContact CE2-CE1 3.66Å; F310-F482 HydrophobicContact CE2-CZ 4.33Å; F310-F482 AromaticContact CG-CE1 3.59Å; F310-F482 HydrophobicContact CG-CE1 3.59Å; F310-F482 AromaticContact CG-CZ 3.67Å; F310-F482 HydrophobicContact CG-CZ 3.67Å; F310-F482 HydrophobicContact CZ-CD1 4.49Å; F310-F482 AromaticContact CZ-CE1 3.92Å; F310-F482 HydrophobicContact CZ-CE1 3.92Å; F310-S484 WeakPolarHBondContact CD1-OG 3.48Å; F310-Y492 HydrophobicContact CE1-CD2 4.19Å; F310-Y492 HydrophobicContact CE1-CG 4.21Å
311	L	98.8	Very high	98.6	Very high	65 Å²	65	18 Å²	18	34%	0.34	9%	0.094	S	C	.	.	H	α-helix	trans	-56.4	-41.9	178.4	177.9	61.7	0	0	0	113.3	F284 G309 S313 L315 A397	F284-L311 HydrophobicContact CD1-CD1 4.21Å; G309-L311 PolarHBondContact O-N 3.28Å; L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 3.1Å; L311-L315 HydrophobicContact CD1-CD1 4.02Å; L311-L315 HydrophobicContact CD1-CG 4.26Å; L311-L315 HydrophobicContact CG-CD1 4.09Å; L311-L315 WeakPolarHBondContact O-CB 3.42Å; L311-L315 VanDerWaalsContact O-CG 3.26Å; L311-L315 WeakPolarHBondContact O-CG 3.43Å; L311-L315 PolarHBondContact O-N 3.46Å; L311-A397 HydrophobicContact CG-CB 4.42Å
312	G	98.8	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.1	-34.5	177.6	0	0	0	0	0	112.5	G309 F310 A316 Q332	G309-G312 PolarHBondContact O-N 2.91Å; G309-G312 VanDerWaalsContact O-N 3.14Å; F310-G312 VanDerWaalsContact C-N 3.32Å; F310-G312 PolarHBondContact O-N 2.75Å; G312-A316 WeakPolarHBondContact O-CB 3.37Å; G312-A316 PolarHBondContact O-N 3.29Å; G312-Q332 PolarHBondContact O-NE2 2.7Å
313	S	98.9	Very high	98.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-80.2	-34.4	-179.8	-52.5	0	0	0	0	112.6	G308 G309 F310 L311 A316 C317 Q332 N339 M340	G308-S313 PolarHBondContact O-OG 3.23Å; G309-S313 PolarHBondContact O-N 2.77Å; G309-S313 PolarHBondContact O-OG 2.8Å; F310-S313 CarbonylContact O-C 3.53Å; F310-S313 PolarHBondContact O-N 3.28Å; L311-S313 VanDerWaalsContact C-N 3.31Å; L311-S313 PolarHBondContact O-N 3.1Å; S313-A316 WeakPolarHBondContact O-CB 3.43Å; S313-A316 PolarHBondContact O-N 2.77Å; S313-C317 PolarHBondContact O-N 2.79Å; S313-C317 PolarHBondContact O-SG 2.57Å; S313-C317 VanDerWaalsContact O-SG 3.41Å; S313-Q332 PolarHBondContact OG-NE2 3.09Å; S313-N339 PolarHBondContact OG-ND2 3.35Å; S313-M340 PolarHBondContact OG-SD 3.12Å; S313-M340 VanDerWaalsContact OG-SD 3.35Å
314	E	98.9	Very high	98.2	Very high	9 Å²	9	19.5 Å²	19.5	4%	0.042	10%	0.097	C	C	.	.	H	α-helix	trans	-60.4	-51.2	168.4	-72.2	179.3	177.3	0	0	110.6	S176 K177 F310 A316 C317 A318 S484 L486	S176-E314 WeakPolarHBondContact CB-OE2 3.43Å; S176-E314 PolarHBondContact OG-OE2 2.91Å; K177-E314 WeakPolarHBondContact CE-OE1 3.19Å; K177-E314 IonicContact NZ-OE1 2.82Å; K177-E314 PolarHBondContact NZ-OE1 3.09Å; K177-E314 IonicContact NZ-OE2 3.52Å; K177-E314 PolarHBondContact NZ-OE2 2.85Å; F310-E314 WeakPolarHBondContact O-CG 3.5Å; F310-E314 PolarHBondContact O-N 3.3Å; E314-A316 VanDerWaalsContact C-N 3.26Å; E314-A316 PolarHBondContact O-N 3.24Å; E314-C317 PolarHBondContact O-N 3Å; E314-A318 WeakPolarHBondContact O-CB 3.24Å; E314-A318 PolarHBondContact O-N 2.81Å; E314-S484 WeakPolarHBondContact CG-OG 3.22Å; E314-S484 WeakPolarHBondContact OE1-CA 3.31Å; E314-S484 WeakPolarHBondContact OE1-CB 3.33Å; E314-S484 PolarHBondContact OE1-OG 3.31Å; E314-L486 HydrophobicContact CB-CD2 4.46Å; E314-L486 HydrophobicContact CG-CD2 3.86Å
315	L	98.9	Very high	98	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-33.6	175.6	-69.9	170.4	0	0	0	112.1	W180 F284 L293 I305 L311 L319 V395	W180-L315 HydrophobicContact CZ2-CD2 4.45Å; F284-L315 HydrophobicContact CB-CD1 3.97Å; F284-L315 HydrophobicContact CD1-CD1 3.92Å; F284-L315 HydrophobicContact CD1-CD2 4.18Å; F284-L315 HydrophobicContact CD2-CD1 4.33Å; F284-L315 HydrophobicContact CD2-CD2 4.32Å; F284-L315 HydrophobicContact CE1-CD2 3.96Å; F284-L315 HydrophobicContact CE2-CD2 4.11Å; F284-L315 HydrophobicContact CG-CD1 3.81Å; F284-L315 HydrophobicContact CG-CD2 4.35Å; F284-L315 HydrophobicContact CZ-CD2 3.93Å; L293-L315 HydrophobicContact CD2-CD2 4.44Å; I305-L315 HydrophobicContact CD1-CB 4.15Å; L311-L315 HydrophobicContact CD1-CD1 4.02Å; L311-L315 HydrophobicContact CD1-CG 4.26Å; L311-L315 HydrophobicContact CG-CD1 4.09Å; L311-L315 WeakPolarHBondContact O-CB 3.42Å; L311-L315 VanDerWaalsContact O-CG 3.26Å; L311-L315 WeakPolarHBondContact O-CG 3.43Å; L311-L315 PolarHBondContact O-N 3.46Å; L315-L319 VanDerWaalsContact O-CB 3.26Å; L315-L319 WeakPolarHBondContact O-CB 3.06Å; L315-L319 WeakPolarHBondContact O-CG 3.2Å; L315-L319 PolarHBondContact O-N 3.26Å; L315-V395 HydrophobicContact CD1-CG1 4.15Å
316	A	98.9	Very high	97.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.3	-47.6	173.9	0	0	0	0	0	111.8	I305 G312 S313 E314 G320 Q332 V356 V361	I305-A316 VanDerWaalsContact CD1-CA 3.41Å; I305-A316 HydrophobicContact CD1-CB 3.76Å; G312-A316 WeakPolarHBondContact O-CB 3.37Å; G312-A316 PolarHBondContact O-N 3.29Å; S313-A316 WeakPolarHBondContact O-CB 3.43Å; S313-A316 PolarHBondContact O-N 2.77Å; E314-A316 VanDerWaalsContact C-N 3.26Å; E314-A316 PolarHBondContact O-N 3.24Å; A316-G320 WeakPolarHBondContact O-CA 3.38Å; A316-G320 PolarHBondContact O-N 2.89Å; A316-Q332 HydrophobicContact CB-CB 4.37Å; A316-Q332 HydrophobicContact CB-CG 4.47Å; A316-V356 HydrophobicContact CB-CG1 3.77Å; A316-V361 HydrophobicContact CB-CG1 4.31Å; A316-V361 HydrophobicContact CB-CG2 4.29Å; A316-V361 VanDerWaalsContact O-CG2 3.22Å; A316-V361 WeakPolarHBondContact O-CG2 3.31Å
317	C	98.8	Very high	97.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-44.3	175.4	-65.9	0	0	0	0	112.2	S313 E314 G320 R321 K355 E359	S313-C317 PolarHBondContact O-N 2.79Å; S313-C317 PolarHBondContact O-SG 2.57Å; S313-C317 VanDerWaalsContact O-SG 3.41Å; E314-C317 PolarHBondContact O-N 3Å; C317-G320 PolarHBondContact O-N 2.85Å; C317-R321 PolarHBondContact O-N 2.9Å; C317-K355 PolarHBondContact SG-NZ 3.23Å; C317-E359 HydrophobicContact CB-CG 4.16Å
318	A	98.4	Very high	97.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-50.8	179.5	0	0	0	0	0	112.7	W180 E314 K322	W180-A318 HydrophobicContact CB-CB 3.63Å; W180-A318 HydrophobicContact CD2-CB 4.04Å; W180-A318 HydrophobicContact CG-CB 3.59Å; E314-A318 WeakPolarHBondContact O-CB 3.24Å; E314-A318 PolarHBondContact O-N 2.81Å; A318-K322 PolarHBondContact O-N 2.85Å
319	L	98.7	Very high	97.7	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-68.8	-37.9	176.7	-70.5	169.7	0	0	0	111.3	W180 L293 I303 I305 L315 R321 K322 A323 V330	W180-L319 HydrophobicContact CE3-CD2 4.26Å; W180-L319 HydrophobicContact CH2-CD2 3.82Å; W180-L319 HydrophobicContact CZ3-CD2 3.53Å; W180-L319 HydrophobicContact CZ3-CG 4.42Å; L293-L319 HydrophobicContact CD2-CD1 4.28Å; I303-L319 HydrophobicContact CD1-CD2 4.29Å; I303-L319 HydrophobicContact CG2-CD1 4.17Å; I305-L319 HydrophobicContact CD1-CD1 4.12Å; I305-L319 HydrophobicContact CG1-CD1 4.41Å; L315-L319 VanDerWaalsContact O-CB 3.26Å; L315-L319 WeakPolarHBondContact O-CB 3.06Å; L315-L319 WeakPolarHBondContact O-CG 3.2Å; L315-L319 PolarHBondContact O-N 3.26Å; L319-R321 PolarHBondContact O-N 2.94Å; L319-K322 PolarHBondContact O-N 3.1Å; L319-A323 WeakPolarHBondContact O-CB 3.38Å; L319-A323 PolarHBondContact O-N 3.45Å; L319-V330 HydrophobicContact CB-CG1 4.13Å; L319-V330 HydrophobicContact CB-CG2 3.82Å
320	G	98.3	Very high	97.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-58.5	-43.7	175.2	0	0	0	0	0	113	A316 C317 K322 A323 R324 E359	A316-G320 WeakPolarHBondContact O-CA 3.38Å; A316-G320 PolarHBondContact O-N 2.89Å; C317-G320 PolarHBondContact O-N 2.85Å; G320-K322 PolarHBondContact O-N 2.86Å; G320-A323 PolarHBondContact O-N 2.79Å; G320-R324 WeakPolarHBondContact O-CG 3.5Å; G320-R324 PolarHBondContact O-N 2.91Å; G320-E359 CarbonylContact C-O 3.42Å
321	R	96.2	Very high	97.7	Very high	70 Å²	70	31.9 Å²	31.9	26%	0.264	18%	0.181	S	C	.	.	H	α-helix	trans	-54.8	-51.9	171.9	-178	-171.8	179.1	-100.7	-5.8	111.5	W180 D183 C317 L319	W180-R321 PolarHBondContact O-NH1 3.14Å; D183-R321 IonicContact OD1-CZ 2.69Å; D183-R321 IonicContact OD1-NH1 2.81Å; D183-R321 PolarHBondContact OD1-NH1 2.79Å; D183-R321 IonicContact OD1-NH2 2.79Å; D183-R321 PolarHBondContact OD1-NH2 3.08Å; D183-R321 IonicContact OD2-CZ 2.69Å; D183-R321 IonicContact OD2-NH1 2.76Å; D183-R321 IonicContact OD2-NH2 3.26Å; D183-R321 PolarHBondContact OD2-NH2 3.3Å; C317-R321 PolarHBondContact O-N 2.9Å; L319-R321 PolarHBondContact O-N 2.94Å
322	K	95.8	Very high	97.7	Very high	39 Å²	39	28.8 Å²	28.8	17%	0.17	17%	0.165	C	C	.	.	H	α-helix	trans	-67.5	-38.4	-179.1	-69	-69.3	-179.3	-177.8	0	111.8	W180 S182 D183 A318 L319 G320 A325 L326	W180-K322 WeakPolarHBondContact O-CE 3.39Å; S182-K322 PolarHBondContact O-NZ 2.7Å; D183-K322 IonicContact OD1-NZ 3.76Å; D183-K322 PolarHBondContact OD1-NZ 3.34Å; A318-K322 PolarHBondContact O-N 2.85Å; L319-K322 PolarHBondContact O-N 3.1Å; G320-K322 PolarHBondContact O-N 2.86Å; K322-A325 PolarHBondContact O-N 2.94Å; K322-A325 VanDerWaalsContact O-N 3.14Å; K322-L326 WeakPolarHBondContact O-CG 3.32Å; K322-L326 PolarHBondContact O-N 3.36Å; K322-L326 VanDerWaalsContact O-N 3.14Å
323	A	97.3	Very high	97.7	Very high	7 Å²	7	28.8 Å²	28.8	6%	0.058	17%	0.165	C	C	.	.	H	α-helix	trans	-65.7	-38.9	-179.6	0	0	0	0	0	113.2	L319 G320 A325 L326 G327 T328 V330	L319-A323 WeakPolarHBondContact O-CB 3.38Å; L319-A323 PolarHBondContact O-N 3.45Å; G320-A323 PolarHBondContact O-N 2.79Å; A323-A325 VanDerWaalsContact C-N 3.25Å; A323-A325 PolarHBondContact O-N 3.21Å; A323-L326 CarbonylContact O-C 3.52Å; A323-L326 PolarHBondContact O-N 2.9Å; A323-L326 VanDerWaalsContact O-N 3.11Å; A323-G327 PolarHBondContact O-N 3.46Å; A323-T328 WeakPolarHBondContact CA-OG1 3.43Å; A323-T328 WeakPolarHBondContact CB-OG1 3.27Å; A323-T328 PolarHBondContact O-N 3.37Å; A323-V330 HydrophobicContact CB-CG2 3.61Å
324	R	95.7	Very high	97.7	Very high	136 Å²	136	28.8 Å²	28.8	51%	0.513	17%	0.165	S	C	.	.	H	α-helix	trans	-60.2	-33.1	171.8	-73.6	-173.6	-61	-164.1	-3.1	113	G320 R358 E359	G320-R324 WeakPolarHBondContact O-CG 3.5Å; G320-R324 PolarHBondContact O-N 2.91Å; R324-R358 PolarHBondContact NH1-O 2.87Å; R324-E359 VanDerWaalsContact CD-O 3.28Å; R324-E359 WeakPolarHBondContact CD-O 3.5Å; R324-E359 IonicContact CZ-OE2 3.67Å; R324-E359 PolarHBondContact NE-O 3.27Å; R324-E359 IonicContact NH1-OE2 3Å; R324-E359 IonicContact NH2-OE2 2.63Å; R324-E359 PolarHBondContact NH2-OE2 2.85Å
325	A	94.1	Very high	97.7	Very high	85 Å²	85	31.6 Å²	31.6	70%	0.702	18%	0.184	S	C	*	.	H	α-helix	trans	-79.6	-19.9	176.1	0	0	0	0	0	113.8	K322 A323	K322-A325 PolarHBondContact O-N 2.94Å; K322-A325 VanDerWaalsContact O-N 3.14Å; A323-A325 VanDerWaalsContact C-N 3.25Å; A323-A325 PolarHBondContact O-N 3.21Å
326	L	95.8	Very high	97.7	Very high	82 Å²	82	33.6 Å²	33.6	43%	0.429	19%	0.193	S	C	.	.	H	α-helix	trans	-109	-8.3	-175.3	-65.6	173.6	0	0	0	114.3	S297 R298 K322 A323 T328	S297-L326 WeakPolarHBondContact O-CD1 3.21Å; R298-L326 HydrophobicContact CG-CD1 4.36Å; K322-L326 WeakPolarHBondContact O-CG 3.32Å; K322-L326 PolarHBondContact O-N 3.36Å; K322-L326 VanDerWaalsContact O-N 3.14Å; A323-L326 CarbonylContact O-C 3.52Å; A323-L326 PolarHBondContact O-N 2.9Å; A323-L326 VanDerWaalsContact O-N 3.11Å; L326-T328 HydrophobicContact CB-CG2 4.16Å
327	G	96.3	Very high	97.7	Very high	69 Å²	69	39 Å²	39	71%	0.711	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	38.9	-174.5	0	0	0	0	0	113.2	A323	A323-G327 PolarHBondContact O-N 3.46Å
328	T	97.6	Very high	97.7	Very high	33 Å²	33	38.9 Å²	38.9	20%	0.202	22%	0.216	C	C	.	.			trans	-113.7	166.2	-179.8	57.2	0	0	0	0	112.1	V300 K301 A323 L326	V300-T328 WeakPolarHBondContact O-CG2 3.26Å; K301-T328 HydrophobicContact CD-CG2 3.98Å; A323-T328 WeakPolarHBondContact CA-OG1 3.43Å; A323-T328 WeakPolarHBondContact CB-OG1 3.27Å; A323-T328 PolarHBondContact O-N 3.37Å; L326-T328 HydrophobicContact CB-CG2 4.16Å
329	E	98.6	Very high	97.7	Very high	64 Å²	64	38.9 Å²	38.9	30%	0.299	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	137.1	-179.6	-172	-171.2	-140.1	0	0	111.5	K301 S302 I303 I331 K362	K301-E329 PolarHBondContact O-N 2.87Å; S302-E329 WeakPolarHBondContact CA-O 3.3Å; S302-E329 WeakPolarHBondContact CB-OE2 3.46Å; S302-E329 PolarHBondContact OG-OE2 2.92Å; I303-E329 PolarHBondContact N-O 3.23Å; E329-I331 HydrophobicContact CG-CD1 4.48Å; E329-I331 HydrophobicContact CG-CG1 3.94Å; E329-I331 WeakPolarHBondContact OE2-CD1 3.43Å; E329-K362 WeakPolarHBondContact OE1-CD 3.43Å; E329-K362 IonicContact OE1-NZ 2.89Å; E329-K362 PolarHBondContact OE1-NZ 2.85Å
330	V	98.9	Very high	97.7	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.2	165	-178.4	0	0	0	0	108.7	I303 I305 L319 A323 V361 K362	I303-V330 WeakPolarHBondContact O-CA 3.19Å; I305-V330 HydrophobicContact CD1-CG1 4.18Å; L319-V330 HydrophobicContact CB-CG1 4.13Å; L319-V330 HydrophobicContact CB-CG2 3.82Å; A323-V330 HydrophobicContact CB-CG2 3.61Å; V330-V361 HydrophobicContact CB-CG2 4.34Å; V330-V361 HydrophobicContact CG1-CG1 4.16Å; V330-V361 HydrophobicContact CG1-CG2 4.18Å; V330-K362 PolarHBondContact O-N 3.16Å
331	I	98.9	Very high	97.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.8	176.7	-47.1	-173	0	0	0	107.7	I303 T304 I305 E329 K362 M364 V389	I303-I331 PolarHBondContact O-N 3.1Å; T304-I331 CarbonylContact C-O 3.57Å; T304-I331 WeakPolarHBondContact CA-O 3.42Å; T304-I331 HydrophobicContact CG2-CB 4.2Å; T304-I331 HydrophobicContact CG2-CG2 4.31Å; I305-I331 PolarHBondContact N-O 3.3Å; E329-I331 HydrophobicContact CG-CD1 4.48Å; E329-I331 HydrophobicContact CG-CG1 3.94Å; E329-I331 WeakPolarHBondContact OE2-CD1 3.43Å; I331-K362 HydrophobicContact CD1-CD 4.09Å; I331-K362 HydrophobicContact CG1-CB 4.36Å; I331-K362 HydrophobicContact CG1-CD 3.98Å; I331-K362 WeakPolarHBondContact CG2-O 3.39Å; I331-M364 HydrophobicContact CG2-CG 4.33Å; I331-M364 HydrophobicContact CG2-SD 3.92Å; I331-V389 HydrophobicContact CD1-CG1 3.38Å
332	Q	98.9	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.1	165.6	-168.9	-172.9	12.3	0	0	108.5	I305 G307 G312 S313 A316 F334 N339 V361 K362 V363 M364	I305-Q332 HydrophobicContact CB-CB 4.45Å; I305-Q332 HydrophobicContact CB-CG 4.16Å; I305-Q332 HydrophobicContact CG2-CG 4.22Å; I305-Q332 CarbonylContact O-C 3.5Å; I305-Q332 WeakPolarHBondContact O-CA 3.46Å; G307-Q332 PolarHBondContact O-NE2 2.98Å; G312-Q332 PolarHBondContact O-NE2 2.7Å; S313-Q332 PolarHBondContact OG-NE2 3.09Å; A316-Q332 HydrophobicContact CB-CB 4.37Å; A316-Q332 HydrophobicContact CB-CG 4.47Å; Q332-F334 HydrophobicContact CG-CD1 4.03Å; Q332-F334 HydrophobicContact CG-CE1 4.07Å; Q332-N339 PolarHBondContact NE2-ND2 3.48Å; Q332-N339 PolarHBondContact OE1-ND2 2.73Å; Q332-V361 HydrophobicContact CB-CG1 3.94Å; Q332-K362 PolarHBondContact N-O 2.7Å; Q332-K362 VanDerWaalsContact N-O 3.13Å; Q332-V363 CarbonylContact O-C 3.53Å; Q332-V363 WeakPolarHBondContact O-CA 3.45Å; Q332-M364 PolarHBondContact O-N 3.01Å
333	L	98.8	Very high	97.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.4	179.7	73.6	85.2	0	0	0	112.1	T304 I305 I306 G307 M364 A367 V369 I381 L383 V389	T304-L333 HydrophobicContact CG2-CD2 3.54Å; T304-L333 HydrophobicContact CG2-CG 4.05Å; I305-L333 PolarHBondContact O-N 3Å; I306-L333 WeakPolarHBondContact CA-O 3.26Å; I306-L333 HydrophobicContact CB-CD1 4.44Å; I306-L333 HydrophobicContact CG1-CD1 4.11Å; I306-L333 HydrophobicContact CG1-CG 4.24Å; I306-L333 HydrophobicContact CG2-CD1 3.89Å; G307-L333 PolarHBondContact N-O 3.25Å; L333-M364 WeakPolarHBondContact CA-O 3.23Å; L333-M364 HydrophobicContact CB-CB 3.94Å; L333-A367 HydrophobicContact CB-CB 3.88Å; L333-A367 HydrophobicContact CD1-CB 4.08Å; L333-V369 HydrophobicContact CD1-CG2 3.58Å; L333-I381 HydrophobicContact CD2-CD1 4.24Å; L333-L383 HydrophobicContact CD1-CD2 4.35Å; L333-V389 HydrophobicContact CD2-CG2 4.36Å
334	F	98.8	Very high	97.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.244	C	C	.	.			trans	-163	154.8	-177	46.9	-103.4	0	0	0	111.3	Q332 E336 G338 N339 V363 M364 P365 N366 A367	Q332-F334 HydrophobicContact CG-CD1 4.03Å; Q332-F334 HydrophobicContact CG-CE1 4.07Å; F334-E336 VanDerWaalsContact C-N 3.34Å; F334-E336 HydrophobicContact CD2-CB 4.06Å; F334-E336 WeakPolarHBondContact CD2-O 3.36Å; F334-G338 VanDerWaalsContact CE2-C 3.45Å; F334-G338 WeakPolarHBondContact CE2-O 3.36Å; F334-N339 WeakPolarHBondContact CZ-OD1 3.36Å; F334-V363 HydrophobicContact CE1-CG1 3.59Å; F334-V363 HydrophobicContact CZ-CG1 3.54Å; F334-M364 PolarHBondContact N-O 2.93Å; F334-P365 HydrophobicContact CD2-CB 4.48Å; F334-P365 HydrophobicContact CE2-CB 3.81Å; F334-P365 HydrophobicContact CZ-CB 4.44Å; F334-P365 CarbonylContact O-C 3.53Å; F334-N366 PolarHBondContact O-N 3.03Å; F334-N366 VanDerWaalsContact O-N 3.11Å; F334-A367 CarbonylContact C-O 3.51Å; F334-A367 PolarHBondContact O-N 2.79Å
335	P	98.4	Very high	98	Very high	68 Å²	68	38 Å²	38	44%	0.442	23%	0.227	S	C	.	.	S	Bend	trans	-76.5	-16	-177.2	31.3	-36.3	0	0	0	114.3	I368	P335-I368 HydrophobicContact CB-CG1 3.85Å
336	E	98.6	Very high	98.1	Very high	41 Å²	41	38.8 Å²	38.8	19%	0.192	22%	0.216	C	C	.	.	S	Bend	trans	-70.4	165.1	176	-63.8	70.9	-151.8	0	0	112.8	F334 G338 K342 P365 N366	F334-E336 VanDerWaalsContact C-N 3.34Å; F334-E336 HydrophobicContact CD2-CB 4.06Å; F334-E336 WeakPolarHBondContact CD2-O 3.36Å; E336-G338 VanDerWaalsContact C-N 3.34Å; E336-K342 HydrophobicContact CG-CG 4.06Å; E336-K342 WeakPolarHBondContact OE1-CE 3.48Å; E336-K342 IonicContact OE1-NZ 3.13Å; E336-K342 PolarHBondContact OE1-NZ 3.44Å; E336-P365 WeakPolarHBondContact O-CB 3.46Å; E336-N366 PolarHBondContact O-N 3.07Å
337	K	98.3	Very high	98	Very high	113 Å²	113	39.2 Å²	39.2	49%	0.491	21%	0.213	S	C	.	.	S	Bend	trans	-66	-32.4	176.9	-70.8	-172.6	176.4	-174	0	113.8	E346 P365	K337-E346 HydrophobicContact CD-CG 4.47Å; K337-E346 VanDerWaalsContact CD-OE1 3.22Å; K337-E346 WeakPolarHBondContact CD-OE1 3.18Å; K337-E346 IonicContact NZ-OE1 2.69Å; K337-E346 PolarHBondContact NZ-OE1 3.32Å; K337-E346 IonicContact NZ-OE2 3.18Å; K337-E346 PolarHBondContact NZ-OE2 2.8Å; K337-P365 WeakPolarHBondContact O-CB 3.37Å
338	G	98.4	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-160.4	175.3	-173.9	0	0	0	0	0	111.6	F334 E336 G341 S349	F334-G338 VanDerWaalsContact CE2-C 3.45Å; F334-G338 WeakPolarHBondContact CE2-O 3.36Å; E336-G338 VanDerWaalsContact C-N 3.34Å; G338-G341 PolarHBondContact O-N 3.32Å; G338-S349 WeakPolarHBondContact CA-OG 3.48Å; G338-S349 PolarHBondContact O-OG 2.7Å
339	N	98.8	Very high	98.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	139.4	-176.9	-72.9	69.9	0	0	0	111.4	S313 Q332 F334 G341 S349 T352 M353	S313-N339 PolarHBondContact OG-ND2 3.35Å; Q332-N339 PolarHBondContact NE2-ND2 3.48Å; Q332-N339 PolarHBondContact OE1-ND2 2.73Å; F334-N339 WeakPolarHBondContact CZ-OD1 3.36Å; N339-G341 PolarHBondContact O-N 3.09Å; N339-S349 PolarHBondContact N-O 3.39Å; N339-S349 PolarHBondContact N-OG 2.84Å; N339-S349 WeakPolarHBondContact O-CA 3.35Å; N339-S349 WeakPolarHBondContact O-CB 3.24Å; N339-S349 PolarHBondContact O-OG 2.63Å; N339-T352 HydrophobicContact CB-CG2 3.42Å; N339-T352 VanDerWaalsContact CB-CG2 3.42Å; N339-M353 WeakPolarHBondContact OD1-CA 3.16Å; N339-M353 WeakPolarHBondContact OD1-CB 3.25Å
340	M	98.6	Very high	98	Very high	7 Å²	7	34 Å²	34	3%	0.034	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	23.1	-172.6	-67	84.5	75.9	0	0	115.5	G308 F310 S313 K342 I343 L344 T352 Y492	G308-M340 PolarHBondContact O-N 2.64Å; F310-M340 HydrophobicContact CB-CG 4.48Å; F310-M340 HydrophobicContact CD1-CE 3.64Å; F310-M340 HydrophobicContact CD1-CG 3.69Å; F310-M340 HydrophobicContact CD1-SD 3.96Å; F310-M340 HydrophobicContact CD2-CG 3.93Å; F310-M340 HydrophobicContact CE1-CE 3.69Å; F310-M340 HydrophobicContact CE1-CG 3.83Å; F310-M340 HydrophobicContact CE1-SD 4.39Å; F310-M340 HydrophobicContact CE2-CG 4.04Å; F310-M340 HydrophobicContact CG-CG 3.75Å; F310-M340 HydrophobicContact CG-SD 4.32Å; F310-M340 HydrophobicContact CZ-CB 4.47Å; F310-M340 HydrophobicContact CZ-CG 3.99Å; S313-M340 PolarHBondContact OG-SD 3.12Å; S313-M340 VanDerWaalsContact OG-SD 3.35Å; M340-K342 PolarHBondContact O-N 3.24Å; M340-I343 PolarHBondContact O-N 2.98Å; M340-L344 HydrophobicContact CB-CD1 3.73Å; M340-L344 HydrophobicContact CB-CG 3.78Å; M340-L344 HydrophobicContact CE-CD1 3.97Å; M340-L344 PolarHBondContact O-N 2.97Å; M340-T352 HydrophobicContact CE-CG2 3.53Å; M340-T352 HydrophobicContact SD-CG2 4.26Å; M340-Y492 HydrophobicContact CE-CD2 4.23Å; M340-Y492 HydrophobicContact CE-CE2 3.93Å
341	G	98.2	Very high	98	Very high	24 Å²	24	35.3 Å²	35.3	25%	0.247	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	23.9	-175.8	0	0	0	0	0	117.7	G338 N339 S349 S500	G338-G341 PolarHBondContact O-N 3.32Å; N339-G341 PolarHBondContact O-N 3.09Å; G341-S349 WeakPolarHBondContact CA-OG 3.38Å; G341-S349 PolarHBondContact N-OG 3.34Å; G341-S500 PolarHBondContact O-OG 2.87Å
342	K	98.1	Very high	98	Very high	133 Å²	133	35.3 Å²	35.3	58%	0.578	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-13.2	159.4	-58.7	-165.6	-172.5	-171.5	0	112.9	E336 M340 S500	E336-K342 HydrophobicContact CG-CG 4.06Å; E336-K342 WeakPolarHBondContact OE1-CE 3.48Å; E336-K342 IonicContact OE1-NZ 3.13Å; E336-K342 PolarHBondContact OE1-NZ 3.44Å; M340-K342 PolarHBondContact O-N 3.24Å; K342-S500 VanDerWaalsContact CA-OG 3.28Å; K342-S500 WeakPolarHBondContact CA-OG 3.25Å; K342-S500 PolarHBondContact O-N 3.37Å; K342-S500 PolarHBondContact O-OG 3.45Å
343	I	98.4	Very high	98	Very high	46 Å²	46	35.9 Å²	35.9	24%	0.236	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-60.8	-178.1	-51.4	-61	0	0	0	107.2	F310 M340 V498 S500 Y567 V577	F310-I343 HydrophobicContact CE2-CG1 4.33Å; F310-I343 HydrophobicContact CE2-CG2 4.46Å; M340-I343 PolarHBondContact O-N 2.98Å; I343-V498 VanDerWaalsContact CD1-O 3.28Å; I343-V498 WeakPolarHBondContact CD1-O 3.49Å; I343-V498 HydrophobicContact CG2-CB 3.9Å; I343-V498 HydrophobicContact CG2-CG2 3.78Å; I343-S500 WeakPolarHBondContact O-CB 3.24Å; I343-S500 PolarHBondContact O-N 3.39Å; I343-Y567 VanDerWaalsContact O-CE1 3.27Å; I343-Y567 WeakPolarHBondContact O-CE1 3.4Å; I343-Y567 PolarHBondContact O-OH 3.37Å; I343-V577 HydrophobicContact CG2-CG2 4.32Å
344	L	98.4	Very high	97.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.194	C	C	.	.	S	Bend	trans	-77.6	138.5	-174.2	-53.4	-177.4	0	0	0	111.8	M340 L348 Y492 V577	M340-L344 HydrophobicContact CB-CD1 3.73Å; M340-L344 HydrophobicContact CB-CG 3.78Å; M340-L344 HydrophobicContact CE-CD1 3.97Å; M340-L344 PolarHBondContact O-N 2.97Å; L344-L348 HydrophobicContact CD1-CG 4.2Å; L344-L348 HydrophobicContact CD2-CD2 4.21Å; L344-Y492 HydrophobicContact CD1-CE1 4.49Å; L344-V577 HydrophobicContact CD2-CG1 3.88Å; L344-V577 HydrophobicContact CD2-CG2 4.35Å
345	P	97.4	Very high	97.9	Very high	26 Å²	26	40.2 Å²	40.2	17%	0.169	20%	0.197	C	C	.	.			trans	-59.3	159	167.1	-25	35.3	0	0	0	112.7	Y347 L348 S349 T504 V565	P345-Y347 VanDerWaalsContact C-N 3.29Å; P345-Y347 PolarHBondContact O-N 3.18Å; P345-Y347 VanDerWaalsContact O-N 3.14Å; P345-L348 PolarHBondContact O-N 3.05Å; P345-L348 VanDerWaalsContact O-N 3.12Å; P345-S349 WeakPolarHBondContact O-CB 3.41Å; P345-S349 PolarHBondContact O-N 3.04Å; P345-T504 HydrophobicContact CG-CG2 3.98Å; P345-T504 WeakPolarHBondContact CG-OG1 3.39Å; P345-V565 HydrophobicContact CG-CG1 3.74Å
346	E	95.5	Very high	97.9	Very high	101 Å²	101	37 Å²	37	47%	0.472	18%	0.176	S	C	.	.	H	α-helix	trans	-54.9	-37.9	-170	-175.7	157.7	-172.2	0	0	114.1	K337 N350	K337-E346 HydrophobicContact CD-CG 4.47Å; K337-E346 VanDerWaalsContact CD-OE1 3.22Å; K337-E346 WeakPolarHBondContact CD-OE1 3.18Å; K337-E346 IonicContact NZ-OE1 2.69Å; K337-E346 PolarHBondContact NZ-OE1 3.32Å; K337-E346 IonicContact NZ-OE2 3.18Å; K337-E346 PolarHBondContact NZ-OE2 2.8Å; E346-N350 WeakPolarHBondContact CG-ND2 3.32Å; E346-N350 VanDerWaalsContact O-CB 3.27Å; E346-N350 WeakPolarHBondContact O-CB 3.46Å; E346-N350 PolarHBondContact O-N 2.77Å; E346-N350 PolarHBondContact O-ND2 2.86Å
347	Y	94.5	Very high	97.9	Very high	91 Å²	91	39.2 Å²	39.2	36%	0.357	18%	0.183	S	C	.	.	H	α-helix	trans	-56.7	-58	175	172.4	-103.7	0	0	0	112.4	P345 N350 W351 F508 Y560 W579	P345-Y347 VanDerWaalsContact C-N 3.29Å; P345-Y347 PolarHBondContact O-N 3.18Å; P345-Y347 VanDerWaalsContact O-N 3.14Å; Y347-N350 PolarHBondContact O-N 3.5Å; Y347-W351 PolarHBondContact O-N 2.77Å; Y347-F508 HydrophobicContact CD1-CD2 4.42Å; Y347-F508 HydrophobicContact CD1-CE1 4.12Å; Y347-F508 AromaticContact CD1-CE2 3.92Å; Y347-F508 HydrophobicContact CD1-CE2 3.92Å; Y347-F508 AromaticContact CD1-CZ 3.76Å; Y347-F508 HydrophobicContact CD1-CZ 3.76Å; Y347-F508 HydrophobicContact CE1-CD1 4.24Å; Y347-F508 HydrophobicContact CE1-CD2 4.43Å; Y347-F508 HydrophobicContact CE1-CE1 4.17Å; Y347-F508 HydrophobicContact CE1-CE2 4.35Å; Y347-F508 HydrophobicContact CE1-CG 4.38Å; Y347-F508 HydrophobicContact CE1-CZ 4.23Å; Y347-Y560 HydrophobicContact CE1-CD2 4.48Å; Y347-W579 HydrophobicContact CE1-CZ3 4.4Å
348	L	96.7	Very high	97.8	Very high	1 Å²	1	41 Å²	41	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-75.1	-28.2	-174.3	-172	57.9	0	0	0	111.9	L344 P345 W351 T352 Y492 V565 W579	L344-L348 HydrophobicContact CD1-CG 4.2Å; L344-L348 HydrophobicContact CD2-CD2 4.21Å; P345-L348 PolarHBondContact O-N 3.05Å; P345-L348 VanDerWaalsContact O-N 3.12Å; L348-W351 HydrophobicContact CD1-CE3 4.3Å; L348-T352 WeakPolarHBondContact O-CB 3.45Å; L348-T352 PolarHBondContact O-N 2.86Å; L348-T352 PolarHBondContact O-OG1 3.15Å; L348-Y492 HydrophobicContact CD1-CE1 4.19Å; L348-Y492 HydrophobicContact CD2-CE1 4.11Å; L348-Y492 HydrophobicContact CG-CE1 4.23Å; L348-V565 HydrophobicContact CD2-CG2 4.37Å; L348-W579 HydrophobicContact CD1-CB 4.48Å; L348-W579 HydrophobicContact CD1-CD2 3.48Å; L348-W579 VanDerWaalsContact CD1-CD2 3.48Å; L348-W579 HydrophobicContact CD1-CE3 3.49Å; L348-W579 VanDerWaalsContact CD1-CE3 3.49Å; L348-W579 HydrophobicContact CD1-CG 3.93Å; L348-W579 HydrophobicContact CD1-CH2 4.25Å; L348-W579 HydrophobicContact CD1-CZ2 4.29Å; L348-W579 HydrophobicContact CD1-CZ3 3.88Å; L348-W579 HydrophobicContact CD2-CB 4.04Å; L348-W579 HydrophobicContact CD2-CE3 4.48Å; L348-W579 HydrophobicContact CD2-CG 4.36Å
349	S	98.6	Very high	97.7	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-41.8	170.5	-173	0	0	0	0	112.2	G338 N339 G341 P345 M353	G338-S349 WeakPolarHBondContact CA-OG 3.48Å; G338-S349 PolarHBondContact O-OG 2.7Å; N339-S349 PolarHBondContact N-O 3.39Å; N339-S349 PolarHBondContact N-OG 2.84Å; N339-S349 WeakPolarHBondContact O-CA 3.35Å; N339-S349 WeakPolarHBondContact O-CB 3.24Å; N339-S349 PolarHBondContact O-OG 2.63Å; G341-S349 WeakPolarHBondContact CA-OG 3.38Å; G341-S349 PolarHBondContact N-OG 3.34Å; P345-S349 WeakPolarHBondContact O-CB 3.41Å; P345-S349 PolarHBondContact O-N 3.04Å; S349-M353 PolarHBondContact O-N 2.82Å; S349-M353 VanDerWaalsContact O-N 3.08Å
350	N	97.7	Very high	97.7	Very high	54 Å²	54	45.1 Å²	45.1	29%	0.289	22%	0.221	S	C	.	.	H	α-helix	trans	-71.3	-42.8	174.8	-71.5	-23.1	0	0	0	111.8	E346 Y347 T352 M353 E354	E346-N350 WeakPolarHBondContact CG-ND2 3.32Å; E346-N350 VanDerWaalsContact O-CB 3.27Å; E346-N350 WeakPolarHBondContact O-CB 3.46Å; E346-N350 PolarHBondContact O-N 2.77Å; E346-N350 PolarHBondContact O-ND2 2.86Å; Y347-N350 PolarHBondContact O-N 3.5Å; N350-T352 VanDerWaalsContact C-N 3.28Å; N350-T352 PolarHBondContact O-N 2.72Å; N350-M353 WeakPolarHBondContact O-CB 3.32Å; N350-M353 PolarHBondContact O-N 3.45Å; N350-E354 PolarHBondContact O-N 3.16Å
351	W	97.8	Very high	97.7	Very high	32 Å²	32	45 Å²	45	12%	0.121	22%	0.22	C	C	.	.	H	α-helix	trans	-57.3	-42.8	173.7	-175.2	96.6	0	0	0	111.5	Y347 L348 M353 E354 K355 V490 Y492 W579	Y347-W351 PolarHBondContact O-N 2.77Å; L348-W351 HydrophobicContact CD1-CE3 4.3Å; W351-M353 VanDerWaalsContact C-N 3.35Å; W351-M353 PolarHBondContact O-N 2.99Å; W351-E354 PolarHBondContact O-N 3.15Å; W351-K355 HydrophobicContact CE3-CB 4.38Å; W351-K355 HydrophobicContact CH2-CB 4.31Å; W351-K355 HydrophobicContact CH2-CG 4.01Å; W351-K355 HydrophobicContact CZ3-CB 4.06Å; W351-K355 HydrophobicContact CZ3-CG 4.04Å; W351-K355 PolarHBondContact O-N 3.12Å; W351-V490 HydrophobicContact CH2-CG1 3.97Å; W351-V490 HydrophobicContact CH2-CG2 3.81Å; W351-V490 HydrophobicContact CZ3-CG1 3.77Å; W351-V490 HydrophobicContact CZ3-CG2 4.4Å; W351-Y492 WeakPolarHBondContact CZ3-OH 3.33Å; W351-W579 HydrophobicContact CD2-CH2 4.14Å; W351-W579 AromaticContact CD2-CZ2 3.68Å; W351-W579 HydrophobicContact CD2-CZ2 3.68Å; W351-W579 AromaticContact CE2-CZ2 3.51Å; W351-W579 AromaticContact CE3-CZ2 3.82Å; W351-W579 HydrophobicContact CE3-CZ2 3.82Å; W351-W579 HydrophobicContact CG-CH2 4.4Å; W351-W579 HydrophobicContact CG-CZ2 4.4Å; W351-W579 AromaticContact CH2-CZ2 3.75Å; W351-W579 HydrophobicContact CH2-CZ2 3.75Å; W351-W579 AromaticContact CH2-NE1 3.81Å; W351-W579 HydrophobicContact CZ2-CH2 4.48Å; W351-W579 AromaticContact CZ2-CZ2 3.58Å; W351-W579 HydrophobicContact CZ2-CZ2 3.58Å; W351-W579 AromaticContact CZ3-CE2 3.92Å; W351-W579 AromaticContact CZ3-CZ2 3.86Å; W351-W579 HydrophobicContact CZ3-CZ2 3.86Å; W351-W579 AromaticContact CZ3-NE1 3.6Å
352	T	98.7	Very high	97.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-42.5	174	-57.1	0	0	0	0	111.9	N339 M340 L348 N350 E354 K355 V356 L486 Y492	N339-T352 HydrophobicContact CB-CG2 3.42Å; N339-T352 VanDerWaalsContact CB-CG2 3.42Å; M340-T352 HydrophobicContact CE-CG2 3.53Å; M340-T352 HydrophobicContact SD-CG2 4.26Å; L348-T352 WeakPolarHBondContact O-CB 3.45Å; L348-T352 PolarHBondContact O-N 2.86Å; L348-T352 PolarHBondContact O-OG1 3.15Å; N350-T352 VanDerWaalsContact C-N 3.28Å; N350-T352 PolarHBondContact O-N 2.72Å; T352-E354 VanDerWaalsContact C-N 3.34Å; T352-E354 PolarHBondContact O-N 3.27Å; T352-K355 WeakPolarHBondContact O-CB 3.31Å; T352-K355 PolarHBondContact O-N 2.83Å; T352-V356 WeakPolarHBondContact O-CG2 3.15Å; T352-V356 PolarHBondContact O-N 3.44Å; T352-L486 HydrophobicContact CG2-CD1 3.91Å; T352-Y492 PolarHBondContact OG1-OH 3.39Å
353	M	98.6	Very high	97.7	Very high	12 Å²	12	43 Å²	43	6%	0.059	21%	0.205	C	C	.	.	H	α-helix	trans	-61.6	-41.1	176.7	173.8	167.9	58.5	0	0	111.8	N339 S349 N350 W351 V356 R357 V363 P365	N339-M353 WeakPolarHBondContact OD1-CA 3.16Å; N339-M353 WeakPolarHBondContact OD1-CB 3.25Å; S349-M353 PolarHBondContact O-N 2.82Å; S349-M353 VanDerWaalsContact O-N 3.08Å; N350-M353 WeakPolarHBondContact O-CB 3.32Å; N350-M353 PolarHBondContact O-N 3.45Å; W351-M353 VanDerWaalsContact C-N 3.35Å; W351-M353 PolarHBondContact O-N 2.99Å; M353-V356 PolarHBondContact O-N 3.17Å; M353-R357 WeakPolarHBondContact O-CG 3.43Å; M353-R357 PolarHBondContact O-N 3.2Å; M353-R357 PolarHBondContact SD-NH2 3.29Å; M353-R357 VanDerWaalsContact SD-NH2 3.4Å; M353-V363 HydrophobicContact CG-CB 4.15Å; M353-V363 HydrophobicContact CG-CG1 3.83Å; M353-V363 HydrophobicContact SD-CG1 4.04Å; M353-P365 HydrophobicContact CE-CG 4.48Å; M353-P365 HydrophobicContact SD-CB 4.11Å; M353-P365 HydrophobicContact SD-CG 3.73Å
354	E	98.1	Very high	97.8	Very high	74 Å²	74	42 Å²	42	35%	0.346	20%	0.2	S	C	.	.	H	α-helix	trans	-69.1	-36.7	174.3	-60.9	-44.2	133.4	0	0	112.6	N350 W351 T352 V356 R357 R358	N350-E354 PolarHBondContact O-N 3.16Å; W351-E354 PolarHBondContact O-N 3.15Å; T352-E354 VanDerWaalsContact C-N 3.34Å; T352-E354 PolarHBondContact O-N 3.27Å; E354-V356 VanDerWaalsContact C-N 3.35Å; E354-V356 PolarHBondContact O-N 3.39Å; E354-R357 PolarHBondContact O-N 2.9Å; E354-R357 IonicContact OE1-CZ 2.67Å; E354-R357 IonicContact OE1-NH1 2.66Å; E354-R357 PolarHBondContact OE1-NH1 2.78Å; E354-R357 VanDerWaalsContact OE2-CD 3.27Å; E354-R357 WeakPolarHBondContact OE2-CD 3.29Å; E354-R357 IonicContact OE2-NH1 2.69Å; E354-R358 VanDerWaalsContact O-CG 3.25Å; E354-R358 WeakPolarHBondContact O-CG 3.43Å; E354-R358 PolarHBondContact O-N 3.14Å
355	K	97.7	Very high	97.8	Very high	17 Å²	17	42.9 Å²	42.9	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-55.3	-50.4	169.9	-166.3	-61.3	-165.5	-173.9	0	110.4	C317 W351 T352 R357 R358 E359 L486 V490	C317-K355 PolarHBondContact SG-NZ 3.23Å; W351-K355 HydrophobicContact CE3-CB 4.38Å; W351-K355 HydrophobicContact CH2-CB 4.31Å; W351-K355 HydrophobicContact CH2-CG 4.01Å; W351-K355 HydrophobicContact CZ3-CB 4.06Å; W351-K355 HydrophobicContact CZ3-CG 4.04Å; W351-K355 PolarHBondContact O-N 3.12Å; T352-K355 WeakPolarHBondContact O-CB 3.31Å; T352-K355 PolarHBondContact O-N 2.83Å; K355-R357 VanDerWaalsContact C-N 3.33Å; K355-R357 PolarHBondContact O-N 3.36Å; K355-R358 WeakPolarHBondContact O-CB 3.43Å; K355-R358 PolarHBondContact O-N 2.92Å; K355-E359 IonicContact NZ-OE1 3.73Å; K355-E359 PolarHBondContact NZ-OE1 3.08Å; K355-E359 PolarHBondContact O-N 3.3Å; K355-L486 WeakPolarHBondContact CE-O 3.45Å; K355-L486 PolarHBondContact NZ-O 3.06Å; K355-V490 HydrophobicContact CD-CG2 4.4Å; K355-V490 HydrophobicContact CG-CG2 3.99Å
356	V	98.7	Very high	97.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-35.7	179.5	177.5	0	0	0	0	111.5	A316 T352 M353 E354 E359 V361 V363	A316-V356 HydrophobicContact CB-CG1 3.77Å; T352-V356 WeakPolarHBondContact O-CG2 3.15Å; T352-V356 PolarHBondContact O-N 3.44Å; M353-V356 PolarHBondContact O-N 3.17Å; E354-V356 VanDerWaalsContact C-N 3.35Å; E354-V356 PolarHBondContact O-N 3.39Å; V356-E359 WeakPolarHBondContact O-CB 3.31Å; V356-E359 PolarHBondContact O-N 2.97Å; V356-E359 VanDerWaalsContact O-N 3.17Å; V356-V361 HydrophobicContact CG1-CB 3.78Å; V356-V361 HydrophobicContact CG1-CG1 3.94Å; V356-V361 HydrophobicContact CG1-CG2 4.05Å; V356-V361 WeakPolarHBondContact O-CB 3.48Å; V356-V363 HydrophobicContact CB-CG2 4.01Å; V356-V363 HydrophobicContact CG1-CG2 3.54Å
357	R	98.6	Very high	98	Very high	88 Å²	88	41.4 Å²	41.4	33%	0.332	20%	0.2	S	C	.	.	H	α-helix	trans	-64.7	-38.7	171.4	-73.6	169.1	174.7	164.7	2	113.2	M353 E354 K355 E359 G360 V363	M353-R357 WeakPolarHBondContact O-CG 3.43Å; M353-R357 PolarHBondContact O-N 3.2Å; M353-R357 PolarHBondContact SD-NH2 3.29Å; M353-R357 VanDerWaalsContact SD-NH2 3.4Å; E354-R357 PolarHBondContact O-N 2.9Å; E354-R357 IonicContact OE1-CZ 2.67Å; E354-R357 IonicContact OE1-NH1 2.66Å; E354-R357 PolarHBondContact OE1-NH1 2.78Å; E354-R357 VanDerWaalsContact OE2-CD 3.27Å; E354-R357 WeakPolarHBondContact OE2-CD 3.29Å; E354-R357 IonicContact OE2-NH1 2.69Å; K355-R357 VanDerWaalsContact C-N 3.33Å; K355-R357 PolarHBondContact O-N 3.36Å; R357-E359 PolarHBondContact O-N 3.14Å; R357-E359 VanDerWaalsContact O-N 3.16Å; R357-G360 PolarHBondContact O-N 3.33Å; R357-V363 HydrophobicContact CG-CB 4.08Å; R357-V363 HydrophobicContact CG-CG2 3.86Å; R357-V363 PolarHBondContact NH2-O 3.32Å
358	R	96.8	Very high	98.2	Very high	152 Å²	152	40.9 Å²	40.9	57%	0.574	20%	0.203	S	C	*	.	H	α-helix	trans	-61.5	-17.8	173.3	-68.4	168	-171.2	-176.6	4.2	112.3	R324 E354 K355 G360 D559	R324-R358 PolarHBondContact NH1-O 2.87Å; E354-R358 VanDerWaalsContact O-CG 3.25Å; E354-R358 WeakPolarHBondContact O-CG 3.43Å; E354-R358 PolarHBondContact O-N 3.14Å; K355-R358 WeakPolarHBondContact O-CB 3.43Å; K355-R358 PolarHBondContact O-N 2.92Å; R358-G360 VanDerWaalsContact C-N 3.29Å; R358-G360 PolarHBondContact O-N 2.85Å; R358-D559 IonicContact CZ-OD2 2.86Å; R358-D559 IonicContact NH1-OD2 3.58Å; R358-D559 PolarHBondContact NH1-OD2 3.24Å; R358-D559 IonicContact NH2-OD2 3.67Å; R358-D559 PolarHBondContact NH2-OD2 3.29Å
359	E	96.8	Very high	98.2	Very high	31 Å²	31	42.4 Å²	42.4	15%	0.145	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-3	169.6	-56.9	-64.6	178	0	0	114.7	C317 G320 R324 K355 V356 R357 V361	C317-E359 HydrophobicContact CB-CG 4.16Å; G320-E359 CarbonylContact C-O 3.42Å; R324-E359 VanDerWaalsContact CD-O 3.28Å; R324-E359 WeakPolarHBondContact CD-O 3.5Å; R324-E359 IonicContact CZ-OE2 3.67Å; R324-E359 PolarHBondContact NE-O 3.27Å; R324-E359 IonicContact NH1-OE2 3Å; R324-E359 IonicContact NH2-OE2 2.63Å; R324-E359 PolarHBondContact NH2-OE2 2.85Å; K355-E359 IonicContact NZ-OE1 3.73Å; K355-E359 PolarHBondContact NZ-OE1 3.08Å; K355-E359 PolarHBondContact O-N 3.3Å; V356-E359 WeakPolarHBondContact O-CB 3.31Å; V356-E359 PolarHBondContact O-N 2.97Å; V356-E359 VanDerWaalsContact O-N 3.17Å; R357-E359 PolarHBondContact O-N 3.14Å; R357-E359 VanDerWaalsContact O-N 3.16Å; E359-V361 HydrophobicContact CB-CG2 4.3Å
360	G	97.3	Very high	98.2	Very high	55 Å²	55	48 Å²	48	57%	0.567	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	8.5	-173.7	0	0	0	0	0	114.4	R357 R358	R357-G360 PolarHBondContact O-N 3.33Å; R358-G360 VanDerWaalsContact C-N 3.29Å; R358-G360 PolarHBondContact O-N 2.85Å
361	V	98.8	Very high	98.2	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.03	24%	0.238	C	C	.	.			trans	-83.8	132.5	-179.4	-179.6	0	0	0	0	111.3	A316 V330 Q332 V356 E359 V363	A316-V361 HydrophobicContact CB-CG1 4.31Å; A316-V361 HydrophobicContact CB-CG2 4.29Å; A316-V361 VanDerWaalsContact O-CG2 3.22Å; A316-V361 WeakPolarHBondContact O-CG2 3.31Å; V330-V361 HydrophobicContact CB-CG2 4.34Å; V330-V361 HydrophobicContact CG1-CG1 4.16Å; V330-V361 HydrophobicContact CG1-CG2 4.18Å; Q332-V361 HydrophobicContact CB-CG1 3.94Å; V356-V361 HydrophobicContact CG1-CB 3.78Å; V356-V361 HydrophobicContact CG1-CG1 3.94Å; V356-V361 HydrophobicContact CG1-CG2 4.05Å; V356-V361 WeakPolarHBondContact O-CB 3.48Å; E359-V361 HydrophobicContact CB-CG2 4.3Å; V361-V363 HydrophobicContact CB-CG2 4.33Å; V361-V363 HydrophobicContact CG1-CG2 3.97Å; V361-V363 PolarHBondContact O-N 2.88Å
362	K	98.8	Very high	98.3	Very high	105 Å²	105	46.4 Å²	46.4	46%	0.457	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	84.3	174.3	-172.3	-175.9	-170.6	179.9	0	110.2	E329 V330 I331 Q332 M364	E329-K362 WeakPolarHBondContact OE1-CD 3.43Å; E329-K362 IonicContact OE1-NZ 2.89Å; E329-K362 PolarHBondContact OE1-NZ 2.85Å; V330-K362 PolarHBondContact O-N 3.16Å; I331-K362 HydrophobicContact CD1-CD 4.09Å; I331-K362 HydrophobicContact CG1-CB 4.36Å; I331-K362 HydrophobicContact CG1-CD 3.98Å; I331-K362 WeakPolarHBondContact CG2-O 3.39Å; Q332-K362 PolarHBondContact N-O 2.7Å; Q332-K362 VanDerWaalsContact N-O 3.13Å; K362-M364 PolarHBondContact O-N 3.13Å
363	V	98.9	Very high	98.2	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.055	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	116.5	-178.8	-170.1	0	0	0	0	111.8	Q332 F334 M353 V356 R357 V361 P365	Q332-V363 CarbonylContact O-C 3.53Å; Q332-V363 WeakPolarHBondContact O-CA 3.45Å; F334-V363 HydrophobicContact CE1-CG1 3.59Å; F334-V363 HydrophobicContact CZ-CG1 3.54Å; M353-V363 HydrophobicContact CG-CB 4.15Å; M353-V363 HydrophobicContact CG-CG1 3.83Å; M353-V363 HydrophobicContact SD-CG1 4.04Å; V356-V363 HydrophobicContact CB-CG2 4.01Å; V356-V363 HydrophobicContact CG1-CG2 3.54Å; R357-V363 HydrophobicContact CG-CB 4.08Å; R357-V363 HydrophobicContact CG-CG2 3.86Å; R357-V363 PolarHBondContact NH2-O 3.32Å; V361-V363 HydrophobicContact CB-CG2 4.33Å; V361-V363 HydrophobicContact CG1-CG2 3.97Å; V361-V363 PolarHBondContact O-N 2.88Å; V363-P365 VanDerWaalsContact O-CD 3.22Å; V363-P365 WeakPolarHBondContact O-CD 3.4Å
364	M	98.8	Very high	98.2	Very high	25 Å²	25	49.6 Å²	49.6	12%	0.123	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	86.6	-178.9	-65	-177.9	65.5	0	0	111.2	I331 Q332 L333 F334 K362 A367 L383 V389	I331-M364 HydrophobicContact CG2-CG 4.33Å; I331-M364 HydrophobicContact CG2-SD 3.92Å; Q332-M364 PolarHBondContact O-N 3.01Å; L333-M364 WeakPolarHBondContact CA-O 3.23Å; L333-M364 HydrophobicContact CB-CB 3.94Å; F334-M364 PolarHBondContact N-O 2.93Å; K362-M364 PolarHBondContact O-N 3.13Å; M364-A367 VanDerWaalsContact O-CB 3.28Å; M364-A367 WeakPolarHBondContact O-CB 3.03Å; M364-L383 HydrophobicContact CE-CD1 3.83Å; M364-V389 HydrophobicContact CE-CG2 3.78Å; M364-V389 HydrophobicContact SD-CG2 3.78Å
365	P	98.7	Very high	98.1	Very high	20 Å²	20	48.3 Å²	48.3	13%	0.13	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	171.2	172.7	32.5	-38.2	0	0	0	112.3	F334 E336 K337 M353 V363 A367 R387	F334-P365 HydrophobicContact CD2-CB 4.48Å; F334-P365 HydrophobicContact CE2-CB 3.81Å; F334-P365 HydrophobicContact CZ-CB 4.44Å; F334-P365 CarbonylContact O-C 3.53Å; E336-P365 WeakPolarHBondContact O-CB 3.46Å; K337-P365 WeakPolarHBondContact O-CB 3.37Å; M353-P365 HydrophobicContact CE-CG 4.48Å; M353-P365 HydrophobicContact SD-CB 4.11Å; M353-P365 HydrophobicContact SD-CG 3.73Å; V363-P365 VanDerWaalsContact O-CD 3.22Å; V363-P365 WeakPolarHBondContact O-CD 3.4Å; P365-A367 PolarHBondContact O-N 3.41Å; P365-A367 VanDerWaalsContact O-N 3.12Å; P365-R387 PolarHBondContact O-NH2 3.04Å
366	N	98.4	Very high	97.8	Very high	93 Å²	93	53.5 Å²	53.5	50%	0.497	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	21.1	-177.9	-51.1	-78.1	0	0	0	113.7	F334 E336 I368	F334-N366 PolarHBondContact O-N 3.03Å; F334-N366 VanDerWaalsContact O-N 3.11Å; E336-N366 PolarHBondContact O-N 3.07Å; N366-I368 PolarHBondContact O-N 2.94Å
367	A	98.5	Very high	97.6	Very high	2 Å²	2	55.8 Å²	55.8	2%	0.017	32%	0.321	C	S	.	.			trans	-91.1	91	-172.9	0	0	0	0	0	111.9	L333 F334 M364 P365 V369 L383	L333-A367 HydrophobicContact CB-CB 3.88Å; L333-A367 HydrophobicContact CD1-CB 4.08Å; F334-A367 CarbonylContact C-O 3.51Å; F334-A367 PolarHBondContact O-N 2.79Å; M364-A367 VanDerWaalsContact O-CB 3.28Å; M364-A367 WeakPolarHBondContact O-CB 3.03Å; P365-A367 PolarHBondContact O-N 3.41Å; P365-A367 VanDerWaalsContact O-N 3.12Å; A367-V369 PolarHBondContact O-N 2.84Å; A367-L383 HydrophobicContact CB-CD1 3.74Å; A367-L383 HydrophobicContact CB-CD2 4.21Å
368	I	98.4	Very high	97.5	Very high	81 Å²	81	55 Å²	55	42%	0.415	32%	0.321	S	S	.	.			trans	-84.7	110.3	173.4	-60.8	168.2	0	0	0	109.4	P335 N366 Q370 L383 K384	P335-I368 HydrophobicContact CB-CG1 3.85Å; N366-I368 PolarHBondContact O-N 2.94Å; I368-Q370 PolarHBondContact O-N 3.47Å; I368-L383 CarbonylContact O-C 3.6Å; I368-L383 WeakPolarHBondContact O-CA 3.49Å; I368-K384 HydrophobicContact CB-CB 3.96Å; I368-K384 HydrophobicContact CB-CD 4.49Å; I368-K384 HydrophobicContact CD1-CD 4.1Å; I368-K384 HydrophobicContact CG2-CB 4.16Å; I368-K384 HydrophobicContact CG2-CD 4.33Å; I368-K384 PolarHBondContact O-N 3.03Å
369	V	98.4	Very high	97.6	Very high	32 Å²	32	47.8 Å²	47.8	19%	0.194	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	125.8	175	-179.9	0	0	0	0	110.7	A269 I306 L333 A367 V372 I381 L383	A269-V369 HydrophobicContact CB-CG1 3.89Å; I306-V369 HydrophobicContact CD1-CG2 4.47Å; I306-V369 HydrophobicContact CG2-CG2 4.42Å; L333-V369 HydrophobicContact CD1-CG2 3.58Å; A367-V369 PolarHBondContact O-N 2.84Å; V369-V372 HydrophobicContact CG1-CG2 4.11Å; V369-I381 HydrophobicContact CB-CG2 4.49Å; V369-I381 HydrophobicContact CG1-CG2 3.89Å; V369-I381 HydrophobicContact CG2-CG2 3.94Å; V369-L383 HydrophobicContact CB-CD2 4.44Å; V369-L383 HydrophobicContact CG2-CD2 3.84Å
370	Q	97.8	Very high	97.7	Very high	121 Å²	121	47.4 Å²	47.4	57%	0.565	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	-45.5	172.2	-73.4	-175.2	-30.2	0	0	112.4	I368 K382 K384	I368-Q370 PolarHBondContact O-N 3.47Å; Q370-K382 PolarHBondContact N-O 2.92Å; Q370-K384 HydrophobicContact CG-CB 4.04Å
371	S	98.1	Very high	97.8	Very high	42 Å²	42	44.8 Å²	44.8	29%	0.294	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	147	-175.7	65.6	0	0	0	0	110.8	K382	S371-K382 PolarHBondContact O-N 3.08Å
372	V	98.5	Very high	97.7	Very high	10 Å²	10	49.2 Å²	49.2	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.4	164	-170.4	0	0	0	0	108.2	I270 A273 V277 V369 L380 I381 I394	I270-V372 HydrophobicContact CG1-CG2 4.04Å; A273-V372 HydrophobicContact CB-CB 4.48Å; A273-V372 VanDerWaalsContact CB-O 3.27Å; A273-V372 WeakPolarHBondContact CB-O 3.47Å; V277-V372 HydrophobicContact CG1-CB 3.93Å; V277-V372 HydrophobicContact CG1-CG1 3.48Å; V277-V372 VanDerWaalsContact CG1-CG1 3.48Å; V277-V372 HydrophobicContact CG2-CG1 4.28Å; V369-V372 HydrophobicContact CG1-CG2 4.11Å; V372-L380 WeakPolarHBondContact CA-O 3.21Å; V372-I381 HydrophobicContact CG1-CG1 4.23Å; V372-I381 HydrophobicContact CG2-CG1 4.25Å; V372-I381 HydrophobicContact CG2-CG2 4.42Å; V372-I394 HydrophobicContact CG1-CD1 3.72Å; V372-I394 HydrophobicContact CG2-CD1 4.35Å
373	G	98.1	Very high	97.7	Very high	27 Å²	27	44.2 Å²	44.2	28%	0.278	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	-171.7	171.7	0	0	0	0	0	110.7	L379 L380	G373-L379 WeakPolarHBondContact O-CA 3.49Å; G373-L380 PolarHBondContact N-O 2.92Å; G373-L380 PolarHBondContact O-N 2.83Å
374	V	97.9	Very high	97.7	Very high	53 Å²	53	50.5 Å²	50.5	32%	0.321	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	140.9	173	176.9	0	0	0	0	109.7	E276 V277 K378 L379	E276-V374 HydrophobicContact CG-CG2 4.13Å; V277-V374 HydrophobicContact CG2-CG2 4.07Å; V374-K378 CarbonylContact C-O 3.54Å; V374-K378 WeakPolarHBondContact CA-O 3.49Å; V374-L379 HydrophobicContact CG2-CD2 4.05Å
375	S	95.3	Very high	97.6	Very high	46 Å²	46	53.3 Å²	53.3	32%	0.322	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	122.7	176.7	-173.8	0	0	0	0	108.5	G377 K378	S375-G377 PolarHBondContact O-N 2.94Å; S375-K378 PolarHBondContact N-O 2.72Å; S375-K378 PolarHBondContact O-N 3.01Å
376	S	92.7	Very high	97.6	Very high	127 Å²	127	55.1 Å²	55.1	89%	0.888	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	36.4	179.4	-54	0	0	0	0	114.8	K378	S376-K378 VanDerWaalsContact C-N 3.31Å; S376-K378 PolarHBondContact O-N 3.22Å
377	G	93.1	Very high	97.6	Very high	47 Å²	47	55 Å²	55	49%	0.485	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-3.6	-178.3	0	0	0	0	0	115.9	R280 S375	R280-G377 PolarHBondContact NH1-O 2.82Å; R280-G377 PolarHBondContact NH2-O 3.43Å; R280-G377 VanDerWaalsContact NH2-O 3.14Å; S375-G377 PolarHBondContact O-N 2.94Å
378	K	97.5	Very high	97.6	Very high	73 Å²	73	62.2 Å²	62.2	32%	0.317	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	152.3	171.5	-65.6	-67.9	-174.8	176.3	0	111.2	V374 S375 S376 D392	V374-K378 CarbonylContact C-O 3.54Å; V374-K378 WeakPolarHBondContact CA-O 3.49Å; S375-K378 PolarHBondContact N-O 2.72Å; S375-K378 PolarHBondContact O-N 3.01Å; S376-K378 VanDerWaalsContact C-N 3.31Å; S376-K378 PolarHBondContact O-N 3.22Å; K378-D392 WeakPolarHBondContact CD-OD1 3.48Å; K378-D392 WeakPolarHBondContact CE-OD1 3.41Å; K378-D392 IonicContact NZ-OD1 3.99Å; K378-D392 PolarHBondContact NZ-OD1 3.22Å; K378-D392 IonicContact NZ-OD2 3.79Å; K378-D392 PolarHBondContact NZ-OD2 3Å
379	L	98.6	Very high	97.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	132.5	164.3	-67.8	171.7	0	0	0	108.8	V277 R280 G373 V374 E390 T391 I394	V277-L379 HydrophobicContact CB-CD2 4.34Å; V277-L379 HydrophobicContact CG1-CD2 4.24Å; V277-L379 HydrophobicContact CG2-CD2 3.97Å; R280-L379 HydrophobicContact CB-CD1 3.83Å; R280-L379 HydrophobicContact CB-CD2 4.19Å; R280-L379 HydrophobicContact CB-CG 4.32Å; G373-L379 WeakPolarHBondContact O-CA 3.49Å; V374-L379 HydrophobicContact CG2-CD2 4.05Å; L379-E390 VanDerWaalsContact O-CA 3.3Å; L379-E390 WeakPolarHBondContact O-CA 3.43Å; L379-T391 HydrophobicContact CB-CG2 3.87Å; L379-T391 WeakPolarHBondContact CB-O 3.45Å; L379-T391 HydrophobicContact CD1-CG2 4.24Å; L379-T391 PolarHBondContact N-O 2.64Å; L379-T391 PolarHBondContact O-N 3.2Å; L379-I394 HydrophobicContact CD1-CB 4.45Å; L379-I394 HydrophobicContact CD1-CD1 3.9Å; L379-I394 HydrophobicContact CD1-CG1 3.79Å
380	L	98.7	Very high	97.6	Very high	23 Å²	23	62.6 Å²	62.6	12%	0.12	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	107.6	178.4	178.8	66.3	0	0	0	109.8	V372 G373 K388 E390	V372-L380 WeakPolarHBondContact CA-O 3.21Å; G373-L380 PolarHBondContact N-O 2.92Å; G373-L380 PolarHBondContact O-N 2.83Å; L380-K388 HydrophobicContact CD1-CB 4.07Å; L380-E390 HydrophobicContact CD1-CG 3.66Å
381	I	98.8	Very high	97.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.7	174.7	-51.8	170	0	0	0	108.1	T304 I306 L333 V369 V372 L383 K388 V389 T391 I394	T304-I381 HydrophobicContact CG2-CD1 3.68Å; I306-I381 HydrophobicContact CD1-CD1 4.34Å; L333-I381 HydrophobicContact CD2-CD1 4.24Å; V369-I381 HydrophobicContact CB-CG2 4.49Å; V369-I381 HydrophobicContact CG1-CG2 3.89Å; V369-I381 HydrophobicContact CG2-CG2 3.94Å; V372-I381 HydrophobicContact CG1-CG1 4.23Å; V372-I381 HydrophobicContact CG2-CG1 4.25Å; V372-I381 HydrophobicContact CG2-CG2 4.42Å; I381-L383 HydrophobicContact CG2-CD2 4.05Å; I381-K388 WeakPolarHBondContact O-CA 3.41Å; I381-V389 HydrophobicContact CB-CB 4.25Å; I381-V389 PolarHBondContact N-O 2.84Å; I381-V389 PolarHBondContact O-N 2.92Å; I381-T391 HydrophobicContact CD1-CG2 4.37Å; I381-I394 HydrophobicContact CD1-CD1 3.83Å; I381-I394 HydrophobicContact CD1-CG1 4.1Å; I381-I394 HydrophobicContact CG1-CD1 3.95Å
382	K	98.6	Very high	97.7	Very high	97 Å²	97	56 Å²	56	42%	0.422	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.7	175.1	-54.9	-178.1	-169.6	169.3	0	109.9	Q370 S371	Q370-K382 PolarHBondContact N-O 2.92Å; S371-K382 PolarHBondContact O-N 3.08Å
383	L	98.7	Very high	97.7	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	152.8	179.9	-56.3	-176.7	0	0	0	111.2	L333 M364 A367 I368 V369 I381 D385 G386 R387 V389	L333-L383 HydrophobicContact CD1-CD2 4.35Å; M364-L383 HydrophobicContact CE-CD1 3.83Å; A367-L383 HydrophobicContact CB-CD1 3.74Å; A367-L383 HydrophobicContact CB-CD2 4.21Å; I368-L383 CarbonylContact O-C 3.6Å; I368-L383 WeakPolarHBondContact O-CA 3.49Å; V369-L383 HydrophobicContact CB-CD2 4.44Å; V369-L383 HydrophobicContact CG2-CD2 3.84Å; I381-L383 HydrophobicContact CG2-CD2 4.05Å; L383-D385 WeakPolarHBondContact CB-OD1 3.49Å; L383-D385 PolarHBondContact O-N 2.59Å; L383-G386 PolarHBondContact O-N 3.14Å; L383-R387 HydrophobicContact CB-CB 4.25Å; L383-R387 WeakPolarHBondContact CB-O 3.09Å; L383-R387 HydrophobicContact CD1-CB 4Å; L383-R387 HydrophobicContact CG-CB 4.45Å; L383-R387 PolarHBondContact N-O 2.89Å; L383-V389 HydrophobicContact CD1-CG2 4.4Å
384	K	98.3	Very high	97.7	Very high	141 Å²	141	55 Å²	55	61%	0.613	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.7	-176.3	-175.9	-178.9	173.6	-171.8	0	114	I368 Q370 G386	I368-K384 HydrophobicContact CB-CB 3.96Å; I368-K384 HydrophobicContact CB-CD 4.49Å; I368-K384 HydrophobicContact CD1-CD 4.1Å; I368-K384 HydrophobicContact CG2-CB 4.16Å; I368-K384 HydrophobicContact CG2-CD 4.33Å; I368-K384 PolarHBondContact O-N 3.03Å; Q370-K384 HydrophobicContact CG-CB 4.04Å; K384-G386 VanDerWaalsContact C-N 3.25Å; K384-G386 PolarHBondContact O-N 3.48Å
385	D	97.3	Very high	97.8	Very high	83 Å²	83	52.4 Å²	52.4	44%	0.444	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5	176.9	53.5	38	0	0	0	113.7	L383 R387	L383-D385 WeakPolarHBondContact CB-OD1 3.49Å; L383-D385 PolarHBondContact O-N 2.59Å; D385-R387 VanDerWaalsContact C-N 3.31Å; D385-R387 PolarHBondContact O-N 3.08Å; D385-R387 WeakPolarHBondContact OD1-CB 3.4Å; D385-R387 WeakPolarHBondContact OD1-CG 3.32Å; D385-R387 PolarHBondContact OD1-N 3.48Å; D385-R387 IonicContact OD1-NE 3.52Å; D385-R387 PolarHBondContact OD1-NE 3.13Å; D385-R387 VanDerWaalsContact OD1-NE 3.13Å; D385-R387 IonicContact OD2-CZ 2.7Å; D385-R387 IonicContact OD2-NE 3.62Å; D385-R387 PolarHBondContact OD2-NE 2.93Å; D385-R387 IonicContact OD2-NH2 2.79Å; D385-R387 PolarHBondContact OD2-NH2 3.27Å
386	G	97.9	Very high	97.9	Very high	58 Å²	58	50.4 Å²	50.4	60%	0.598	27%	0.272	S	S	*	.	S	Bend	trans	86.5	-9	-179.4	0	0	0	0	0	114.5	L383 K384	L383-G386 PolarHBondContact O-N 3.14Å; K384-G386 VanDerWaalsContact C-N 3.25Å; K384-G386 PolarHBondContact O-N 3.48Å
387	R	98.4	Very high	98.2	Very high	91 Å²	91	45 Å²	45	34%	0.343	24%	0.235	S	C	.	.			trans	-61.6	145.7	171.9	-65.1	-179.4	-69.1	176.4	-4	110.2	P365 L383 D385	P365-R387 PolarHBondContact O-NH2 3.04Å; L383-R387 HydrophobicContact CB-CB 4.25Å; L383-R387 WeakPolarHBondContact CB-O 3.09Å; L383-R387 HydrophobicContact CD1-CB 4Å; L383-R387 HydrophobicContact CG-CB 4.45Å; L383-R387 PolarHBondContact N-O 2.89Å; D385-R387 VanDerWaalsContact C-N 3.31Å; D385-R387 PolarHBondContact O-N 3.08Å; D385-R387 WeakPolarHBondContact OD1-CB 3.4Å; D385-R387 WeakPolarHBondContact OD1-CG 3.32Å; D385-R387 PolarHBondContact OD1-N 3.48Å; D385-R387 IonicContact OD1-NE 3.52Å; D385-R387 PolarHBondContact OD1-NE 3.13Å; D385-R387 VanDerWaalsContact OD1-NE 3.13Å; D385-R387 IonicContact OD2-CZ 2.7Å; D385-R387 IonicContact OD2-NE 3.62Å; D385-R387 PolarHBondContact OD2-NE 2.93Å; D385-R387 IonicContact OD2-NH2 2.79Å; D385-R387 PolarHBondContact OD2-NH2 3.27Å
388	K	98.4	Very high	98.3	Very high	154 Å²	154	45 Å²	45	67%	0.67	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.6	175	-63	174.4	-169.4	169.3	0	108.6	L380 I381	L380-K388 HydrophobicContact CD1-CB 4.07Å; I381-K388 WeakPolarHBondContact O-CA 3.41Å
389	V	98.6	Very high	98.2	Very high	7 Å²	7	43 Å²	43	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.1	175.1	-178.5	0	0	0	0	107.9	I331 L333 M364 I381 L383	I331-V389 HydrophobicContact CD1-CG1 3.38Å; L333-V389 HydrophobicContact CD2-CG2 4.36Å; M364-V389 HydrophobicContact CE-CG2 3.78Å; M364-V389 HydrophobicContact SD-CG2 3.78Å; I381-V389 HydrophobicContact CB-CB 4.25Å; I381-V389 PolarHBondContact N-O 2.84Å; I381-V389 PolarHBondContact O-N 2.92Å; L383-V389 HydrophobicContact CD1-CG2 4.4Å
390	E	98.6	Very high	98.1	Very high	114 Å²	114	43.6 Å²	43.6	53%	0.533	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135.8	171.5	-71.5	-178.8	-167.3	0	0	109.4	L379 L380	L379-E390 VanDerWaalsContact O-CA 3.3Å; L379-E390 WeakPolarHBondContact O-CA 3.43Å; L380-E390 HydrophobicContact CD1-CG 3.66Å
391	T	98.8	Very high	98.1	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	167.1	-174.5	-157.1	0	0	0	0	110.8	S302 T304 L379 I381 I394	S302-T391 VanDerWaalsContact C-OG1 3.26Å; S302-T391 PolarHBondContact O-OG1 3.12Å; S302-T391 VanDerWaalsContact O-OG1 3.05Å; S302-T391 PolarHBondContact OG-OG1 3.11Å; T304-T391 PolarHBondContact N-OG1 3.35Å; T304-T391 WeakPolarHBondContact OG1-CB 3.09Å; T304-T391 WeakPolarHBondContact OG1-CG2 3.28Å; T304-T391 PolarHBondContact OG1-OG1 3.18Å; L379-T391 HydrophobicContact CB-CG2 3.87Å; L379-T391 WeakPolarHBondContact CB-O 3.45Å; L379-T391 HydrophobicContact CD1-CG2 4.24Å; L379-T391 PolarHBondContact N-O 2.64Å; L379-T391 PolarHBondContact O-N 3.2Å; I381-T391 HydrophobicContact CD1-CG2 4.37Å; T391-I394 HydrophobicContact CG2-CG1 4.11Å
392	D	98.7	Very high	98	Very high	23 Å²	23	47.3 Å²	47.3	12%	0.123	25%	0.246	C	C	.	.	S	Bend	trans	-92.6	-36.2	178.4	-71	-59.1	0	0	0	113.1	R280 V300 K301 S302 K378	R280-D392 PolarHBondContact NE-O 3.46Å; R280-D392 PolarHBondContact NH2-O 3.43Å; V300-D392 HydrophobicContact CB-CB 3.56Å; V300-D392 HydrophobicContact CG1-CB 4.03Å; V300-D392 HydrophobicContact CG2-CB 3.89Å; K301-D392 PolarHBondContact N-OD2 3.08Å; S302-D392 PolarHBondContact N-OD2 3.3Å; S302-D392 VanDerWaalsContact N-OD2 3.07Å; S302-D392 WeakPolarHBondContact O-CB 3.32Å; S302-D392 PolarHBondContact O-N 2.89Å; K378-D392 WeakPolarHBondContact CD-OD1 3.48Å; K378-D392 WeakPolarHBondContact CE-OD1 3.41Å; K378-D392 IonicContact NZ-OD1 3.99Å; K378-D392 PolarHBondContact NZ-OD1 3.22Å; K378-D392 IonicContact NZ-OD2 3.79Å; K378-D392 PolarHBondContact NZ-OD2 3Å
393	H	98.9	Very high	98	Very high	15 Å²	15	44 Å²	44	7%	0.069	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	148.1	-176.2	-162.8	80.5	0	0	0	111.7	R280 T282 I296 S302 T304	R280-H393 PolarHBondContact O-CE1 2.96Å; R280-H393 PolarHBondContact O-ND1 2.64Å; T282-H393 PolarHBondContact N-NE2 3.39Å; T282-H393 PolarHBondContact OG1-NE2 3.43Å; I296-H393 HydrophobicContact CG2-CB 3.87Å; S302-H393 PolarHBondContact O-N 3.33Å; T304-H393 PolarHBondContact N-O 2.97Å
394	I	98.9	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.2	177.6	-70.5	168	0	0	0	110.8	I270 R280 T281 T282 T304 I306 V372 L379 I381 T391	I270-I394 HydrophobicContact CD1-CG2 4Å; R280-I394 PolarHBondContact O-N 3.14Å; T281-I394 CarbonylContact C-O 3.55Å; T281-I394 WeakPolarHBondContact CA-O 3.22Å; T281-I394 HydrophobicContact CG2-CG2 4.18Å; T282-I394 PolarHBondContact N-O 2.82Å; T304-I394 CarbonylContact O-C 3.57Å; T304-I394 VanDerWaalsContact O-CA 3.31Å; T304-I394 WeakPolarHBondContact O-CA 3.38Å; I306-I394 HydrophobicContact CD1-CD1 4.45Å; I306-I394 HydrophobicContact CD1-CG2 3.71Å; I306-I394 HydrophobicContact CG1-CG2 4.11Å; V372-I394 HydrophobicContact CG1-CD1 3.72Å; V372-I394 HydrophobicContact CG2-CD1 4.35Å; L379-I394 HydrophobicContact CD1-CB 4.45Å; L379-I394 HydrophobicContact CD1-CD1 3.9Å; L379-I394 HydrophobicContact CD1-CG1 3.79Å; I381-I394 HydrophobicContact CD1-CD1 3.83Å; I381-I394 HydrophobicContact CD1-CG1 4.1Å; I381-I394 HydrophobicContact CG1-CD1 3.95Å; T391-I394 HydrophobicContact CG2-CG1 4.11Å
395	V	98.9	Very high	98	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.3	165.9	-173.3	0	0	0	0	108.2	T282 F284 L293 I303 T304 I305 I306 L315	T282-V395 WeakPolarHBondContact O-CA 3.39Å; F284-V395 HydrophobicContact CB-CG1 4.23Å; L293-V395 HydrophobicContact CD1-CG2 3.52Å; L293-V395 HydrophobicContact CD2-CG1 4.32Å; L293-V395 HydrophobicContact CD2-CG2 3.76Å; L293-V395 HydrophobicContact CG-CG2 4.31Å; I303-V395 HydrophobicContact CG2-CG2 4.01Å; T304-V395 PolarHBondContact O-N 2.84Å; I305-V395 CarbonylContact C-O 3.59Å; I305-V395 WeakPolarHBondContact CA-O 3.48Å; I305-V395 HydrophobicContact CG1-CB 4.34Å; I306-V395 PolarHBondContact N-O 3.16Å; L315-V395 HydrophobicContact CD1-CG1 4.15Å
396	A	98.5	Very high	98.1	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.5	175.5	0	0	0	0	0	110.7	L267 T282 L283	L267-A396 HydrophobicContact CD1-CB 4.31Å; T282-A396 PolarHBondContact O-N 3.24Å; L283-A396 HydrophobicContact CD2-CB 3.77Å
397	A	97.9	Very high	98.1	Very high	14 Å²	14	37.3 Å²	37.3	12%	0.116	19%	0.189	C	C	.	.			trans	-130.3	57.5	-176.7	0	0	0	0	0	110.5	I306 L311	I306-A397 PolarHBondContact O-N 2.82Å; L311-A397 HydrophobicContact CG-CB 4.42Å
398	V	96.6	Very high	98	Very high	48 Å²	48	41.7 Å²	41.7	29%	0.291	21%	0.211	S	C	.	.	S	Bend	trans	-108.8	25	-168.6	-61	0	0	0	0	114.4	R265 L267 I306	R265-V398 HydrophobicContact CB-CG2 3.93Å; R265-V398 WeakPolarHBondContact CD-O 3.4Å; R265-V398 PolarHBondContact NH1-O 3.25Å; L267-V398 HydrophobicContact CD2-CG1 4.19Å; L267-V398 HydrophobicContact CD2-CG2 4.08Å; L267-V398 HydrophobicContact CG-CG2 4.21Å; I306-V398 WeakPolarHBondContact O-CG1 3.37Å
399	G	94.4	Very high	98	Very high	31 Å²	31	37.6 Å²	37.6	32%	0.32	20%	0.199	S	C	.	.			trans	93.6	-173.7	-177.9	0	0	0	0	0	113.3	R265	R265-G399 PolarHBondContact N-O 3.26Å
400	L	96.3	Very high	98	Very high	11 Å²	11	37.7 Å²	37.7	6%	0.058	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	166.9	179.9	64.1	74.5	0	0	0	112.5	T263 R265 E453	T263-L400 CarbonylContact O-C 3.59Å; T263-L400 WeakPolarHBondContact O-CA 3.46Å; T263-L400 VanDerWaalsContact O-CB 3.31Å; T263-L400 WeakPolarHBondContact O-CB 3.34Å; R265-L400 PolarHBondContact NH2-O 2.82Å; L400-E453 HydrophobicContact CD1-CG 4.17Å; L400-E453 WeakPolarHBondContact CD1-OE1 3.3Å; L400-E453 HydrophobicContact CD2-CG 4.13Å; L400-E453 VanDerWaalsContact CG-CD 3.49Å; L400-E453 HydrophobicContact CG-CG 4.16Å; L400-E453 WeakPolarHBondContact CG-OE1 3.39Å
401	E	97.8	Very high	98	Very high	92 Å²	92	34.7 Å²	34.7	43%	0.43	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.3	163.1	-67.3	-54.2	140.1	0	0	110	G262 T263 R265	G262-E401 CarbonylContact C-O 3.55Å; G262-E401 WeakPolarHBondContact CA-O 3.19Å; T263-E401 PolarHBondContact N-O 2.83Å; T263-E401 PolarHBondContact O-N 2.91Å; R265-E401 HydrophobicContact CG-CG 4.15Å; R265-E401 IonicContact CZ-OE1 3.64Å; R265-E401 IonicContact NE-OE1 2.7Å; R265-E401 PolarHBondContact NE-OE1 2.91Å; R265-E401 IonicContact NH2-OE1 3.5Å; R265-E401 PolarHBondContact NH2-OE1 2.9Å
402	P	98.6	Very high	98	Very high	9 Å²	9	35.1 Å²	35.1	6%	0.058	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	142.2	179	26.3	-31.8	0	0	0	111.8	V404	P402-V404 VanDerWaalsContact C-N 3.32Å; P402-V404 HydrophobicContact CB-CG1 4.19Å; P402-V404 HydrophobicContact CG-CG1 4.25Å; P402-V404 PolarHBondContact O-N 3.44Å
403	N	98.6	Very high	98	Very high	27 Å²	27	39 Å²	39	14%	0.144	22%	0.22	C	C	.	.			trans	-80.1	76.6	-173.3	-77.6	-17.9	0	0	0	111.9	T260 G261 T263	T260-N403 WeakPolarHBondContact O-CB 3.48Å; T260-N403 PolarHBondContact O-ND2 2.9Å; T260-N403 PolarHBondContact OG1-O 3.07Å; G261-N403 PolarHBondContact O-N 3.05Å; T263-N403 WeakPolarHBondContact CB-OD1 3.37Å; T263-N403 PolarHBondContact N-OD1 3.36Å; T263-N403 VanDerWaalsContact N-OD1 3.12Å; T263-N403 PolarHBondContact OG1-OD1 3.04Å
404	V	98.6	Very high	97.9	Very high	35 Å²	35	41.7 Å²	41.7	21%	0.212	23%	0.234	C	C	.	.			trans	-94.9	13.2	-173.3	-61.8	0	0	0	0	114.9	P402 L406 A407 I414 F421	P402-V404 VanDerWaalsContact C-N 3.32Å; P402-V404 HydrophobicContact CB-CG1 4.19Å; P402-V404 HydrophobicContact CG-CG1 4.25Å; P402-V404 PolarHBondContact O-N 3.44Å; V404-L406 PolarHBondContact O-N 2.77Å; V404-L406 VanDerWaalsContact O-N 3.14Å; V404-A407 WeakPolarHBondContact O-CB 3.49Å; V404-A407 PolarHBondContact O-N 2.91Å; V404-I414 HydrophobicContact CB-CD1 4.14Å; V404-I414 HydrophobicContact CB-CG1 4.46Å; V404-I414 HydrophobicContact CB-CG2 4.39Å; V404-I414 HydrophobicContact CG1-CG2 4.14Å; V404-I414 HydrophobicContact CG2-CD1 4.01Å; V404-I414 HydrophobicContact CG2-CG2 4.33Å; V404-F421 HydrophobicContact CB-CE2 4.22Å; V404-F421 HydrophobicContact CB-CZ 4.27Å; V404-F421 HydrophobicContact CG1-CD2 3.96Å; V404-F421 HydrophobicContact CG1-CE2 3.9Å; V404-F421 HydrophobicContact CG1-CZ 4.41Å
405	E	98.4	Very high	97.9	Very high	96 Å²	96	41.9 Å²	41.9	45%	0.449	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-42.5	-177.5	-68.6	175	-153.5	0	0	113.3	K232 A407 K408	K232-E405 WeakPolarHBondContact CE-OE2 3.4Å; K232-E405 VanDerWaalsContact NZ-CD 3.25Å; K232-E405 IonicContact NZ-OE1 3.38Å; K232-E405 PolarHBondContact NZ-OE1 2.99Å; K232-E405 IonicContact NZ-OE2 2.7Å; K232-E405 PolarHBondContact NZ-OE2 2.85Å; E405-A407 PolarHBondContact O-N 2.85Å; E405-K408 WeakPolarHBondContact O-CB 3.47Å; E405-K408 PolarHBondContact O-N 3.31Å
406	L	98.4	Very high	97.8	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.037	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-16	-177.8	-61.3	179.6	0	0	0	114.3	I137 V233 L236 T260 V404 K408 T409 G410	I137-L406 HydrophobicContact CD1-CD1 4.07Å; I137-L406 HydrophobicContact CG2-CD1 3.94Å; V233-L406 HydrophobicContact CB-CD1 4.24Å; V233-L406 HydrophobicContact CG1-CD1 3.89Å; V233-L406 HydrophobicContact CG1-CD2 3.88Å; L236-L406 HydrophobicContact CB-CB 4.36Å; T260-L406 HydrophobicContact CG2-CD1 4.49Å; V404-L406 PolarHBondContact O-N 2.77Å; V404-L406 VanDerWaalsContact O-N 3.14Å; L406-K408 PolarHBondContact O-N 3.43Å; L406-T409 PolarHBondContact O-N 2.94Å; L406-T409 PolarHBondContact O-OG1 2.82Å; L406-G410 PolarHBondContact O-N 3.18Å
407	A	97.9	Very high	97.8	Very high	5 Å²	5	52.5 Å²	52.5	4%	0.041	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-32.5	174.2	0	0	0	0	0	111.9	V404 E405 T409 G411 L412 I414 F421	V404-A407 WeakPolarHBondContact O-CB 3.49Å; V404-A407 PolarHBondContact O-N 2.91Å; E405-A407 PolarHBondContact O-N 2.85Å; A407-T409 PolarHBondContact O-N 2.85Å; A407-G411 WeakPolarHBondContact O-CA 3.18Å; A407-G411 PolarHBondContact O-N 2.96Å; A407-L412 HydrophobicContact CB-CB 4.28Å; A407-L412 PolarHBondContact O-N 3.07Å; A407-L412 VanDerWaalsContact O-N 3.14Å; A407-I414 HydrophobicContact CB-CD1 3.63Å; A407-I414 HydrophobicContact CB-CG1 3.59Å; A407-F421 HydrophobicContact CB-CD1 4.16Å; A407-F421 HydrophobicContact CB-CE1 3.63Å; A407-F421 HydrophobicContact CB-CZ 4.42Å
408	K	97.1	Very high	97.7	Very high	184 Å²	184	56.9 Å²	56.9	80%	0.8	32%	0.316	S	S	*	.	H	α-helix	trans	-64	-39	-179.5	-63.3	178.6	178.7	176	0	113	E405 L406	E405-K408 WeakPolarHBondContact O-CB 3.47Å; E405-K408 PolarHBondContact O-N 3.31Å; L406-K408 PolarHBondContact O-N 3.43Å
409	T	97.8	Very high	97.8	Very high	68 Å²	68	55.2 Å²	55.2	42%	0.417	31%	0.309	S	S	.	.	H	α-helix	trans	-90.4	-37.9	-178.9	49	0	0	0	0	111.8	Q235 L236 L406 A407 G411	Q235-T409 HydrophobicContact CB-CG2 4.44Å; Q235-T409 HydrophobicContact CG-CG2 3.97Å; L236-T409 PolarHBondContact N-OG1 2.91Å; L236-T409 VanDerWaalsContact N-OG1 3.09Å; L236-T409 CarbonylContact O-C 3.4Å; L406-T409 PolarHBondContact O-N 2.94Å; L406-T409 PolarHBondContact O-OG1 2.82Å; A407-T409 PolarHBondContact O-N 2.85Å; T409-G411 VanDerWaalsContact C-N 3.32Å; T409-G411 PolarHBondContact O-N 2.67Å
410	G	97.9	Very high	98	Very high	8 Å²	8	53.8 Å²	53.8	8%	0.082	29%	0.294	C	S	.	.	H	α-helix	trans	-79.7	-5.4	177.1	0	0	0	0	0	115.6	L236 V238 L406 L412	L236-G410 WeakPolarHBondContact O-CA 3.21Å; L236-G410 PolarHBondContact O-N 3.35Å; V238-G410 VanDerWaalsContact CG2-O 3.24Å; V238-G410 WeakPolarHBondContact CG2-O 3.34Å; L406-G410 PolarHBondContact O-N 3.18Å; G410-L412 PolarHBondContact O-N 3.47Å
411	G	98.3	Very high	98.1	Very high	52 Å²	52	53.3 Å²	53.3	54%	0.536	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	31.1	-175.7	0	0	0	0	0	113.4	A407 T409 R430	A407-G411 WeakPolarHBondContact O-CA 3.18Å; A407-G411 PolarHBondContact O-N 2.96Å; T409-G411 VanDerWaalsContact C-N 3.32Å; T409-G411 PolarHBondContact O-N 2.67Å; G411-R430 PolarHBondContact O-NH2 3.17Å
412	L	98.6	Very high	98.2	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.052	28%	0.283	C	S	.	.			trans	-83.9	147.7	-176.6	-57.2	-176.4	0	0	0	111	L236 V238 I258 A407 G410 F421 A429 R430	L236-L412 HydrophobicContact CD2-CD1 3.97Å; V238-L412 HydrophobicContact CG2-CD2 4.15Å; I258-L412 HydrophobicContact CD1-CD1 3.51Å; A407-L412 HydrophobicContact CB-CB 4.28Å; A407-L412 PolarHBondContact O-N 3.07Å; A407-L412 VanDerWaalsContact O-N 3.14Å; G410-L412 PolarHBondContact O-N 3.47Å; L412-F421 HydrophobicContact CB-CD1 3.94Å; L412-F421 HydrophobicContact CB-CE1 4.21Å; L412-F421 HydrophobicContact CD1-CD1 3.96Å; L412-F421 HydrophobicContact CD1-CE1 3.91Å; L412-A429 HydrophobicContact CD1-CB 4.45Å; L412-A429 HydrophobicContact CD2-CB 4.44Å; L412-R430 HydrophobicContact CD2-CG 3.76Å
413	E	98.7	Very high	98.2	Very high	105 Å²	105	51.9 Å²	51.9	49%	0.491	28%	0.281	S	S	.	.			trans	-76.7	134.8	-179.3	-165.4	-171.3	171.7	0	0	110.6	F421 R422	E413-F421 WeakPolarHBondContact O-CA 3.03Å; E413-R422 HydrophobicContact CB-CB 4.26Å; E413-R422 HydrophobicContact CG-CB 4.28Å; E413-R422 PolarHBondContact O-N 2.88Å; E413-R422 WeakPolarHBondContact OE1-CD 3.49Å; E413-R422 IonicContact OE1-CZ 3.68Å; E413-R422 IonicContact OE1-NE 2.78Å; E413-R422 IonicContact OE1-NH1 2.65Å; E413-R422 PolarHBondContact OE1-NH1 3.43Å
414	I	98.7	Very high	98.2	Very high	71 Å²	71	53.7 Å²	53.7	36%	0.364	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-112.7	139.9	175	-45.2	173	0	0	0	107.6	V404 A407 G420	V404-I414 HydrophobicContact CB-CD1 4.14Å; V404-I414 HydrophobicContact CB-CG1 4.46Å; V404-I414 HydrophobicContact CB-CG2 4.39Å; V404-I414 HydrophobicContact CG1-CG2 4.14Å; V404-I414 HydrophobicContact CG2-CD1 4.01Å; V404-I414 HydrophobicContact CG2-CG2 4.33Å; A407-I414 HydrophobicContact CB-CD1 3.63Å; A407-I414 HydrophobicContact CB-CG1 3.59Å; I414-G420 CarbonylContact C-O 3.5Å; I414-G420 WeakPolarHBondContact CA-O 3.29Å; I414-G420 WeakPolarHBondContact CG2-O 3.26Å
415	D	98.6	Very high	98.2	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.016	30%	0.302	C	S	.	.			trans	-74.8	128.1	169.3	-163.8	-81.1	0	0	0	110.7	D417 F418 G419 G420 R422 C441	D415-D417 PolarHBondContact OD1-N 2.93Å; D415-F418 WeakPolarHBondContact OD1-CD2 3.27Å; D415-F418 PolarHBondContact OD1-N 3.46Å; D415-G419 WeakPolarHBondContact O-CA 3.47Å; D415-G419 PolarHBondContact O-N 2.9Å; D415-G420 PolarHBondContact N-O 3.07Å; D415-R422 HydrophobicContact CB-CG 3.87Å; D415-R422 IonicContact OD2-CZ 3.77Å; D415-R422 IonicContact OD2-NE 3.18Å; D415-R422 PolarHBondContact OD2-NE 3.11Å; D415-R422 IonicContact OD2-NH2 2.63Å; D415-R422 PolarHBondContact OD2-NH2 3.22Å; D415-C441 HydrophobicContact CB-CB 3.86Å; D415-C441 WeakPolarHBondContact CB-SG 3.49Å
416	S	97.1	Very high	98.2	Very high	101 Å²	101	52.8 Å²	52.8	71%	0.706	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.5	-178.8	47.3	0	0	0	0	114.2
417	D	97.4	Very high	98.3	Very high	125 Å²	125	52.5 Å²	52.5	67%	0.668	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-37.7	-161.2	-50.8	-15.7	0	0	0	110.4	D415	D415-D417 PolarHBondContact OD1-N 2.93Å
418	F	96.9	Very high	98.3	Very high	106 Å²	106	54.2 Å²	54.2	47%	0.465	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-13.5	175.8	-56.5	-73.3	0	0	0	113.7	D415 R449 R451	D415-F418 WeakPolarHBondContact OD1-CD2 3.27Å; D415-F418 PolarHBondContact OD1-N 3.46Å; F418-R449 HydrophobicContact CD2-CB 4.1Å; F418-R449 HydrophobicContact CE2-CB 4.03Å; F418-R449 VanDerWaalsContact CE2-O 3.29Å; F418-R449 WeakPolarHBondContact CE2-O 3.48Å; F418-R451 HydrophobicContact CB-CB 4.49Å; F418-R451 PolarHBondContact O-NE 3.18Å
419	G	98.2	Very high	98.4	Very high	14 Å²	14	46.2 Å²	46.2	14%	0.144	27%	0.267	C	S	.	.			trans	72.3	167	-170.1	0	0	0	0	0	113.2	D415 C441 R451	D415-G419 WeakPolarHBondContact O-CA 3.47Å; D415-G419 PolarHBondContact O-N 2.9Å; G419-C441 WeakPolarHBondContact O-CB 3.45Å; G419-R451 WeakPolarHBondContact O-CD 3.35Å
420	G	98.7	Very high	98.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	94.3	163.3	173.7	0	0	0	0	0	113.3	I414 D415 R422 A439	I414-G420 CarbonylContact C-O 3.5Å; I414-G420 WeakPolarHBondContact CA-O 3.29Å; I414-G420 WeakPolarHBondContact CG2-O 3.26Å; D415-G420 PolarHBondContact N-O 3.07Å; G420-R422 PolarHBondContact O-N 3.31Å; G420-A439 CarbonylContact C-O 3.56Å; G420-A439 VanDerWaalsContact CA-O 3.25Å; G420-A439 WeakPolarHBondContact CA-O 3.36Å
421	F	98.9	Very high	98.4	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	129.3	179.8	-61.1	-94.8	0	0	0	110.1	I258 V404 A407 L412 E413 V435 A439 C441	I258-F421 HydrophobicContact CD1-CD1 4.45Å; I258-F421 HydrophobicContact CD1-CE1 4.03Å; I258-F421 HydrophobicContact CD1-CZ 4.15Å; I258-F421 HydrophobicContact CG2-CD2 4.2Å; I258-F421 HydrophobicContact CG2-CE2 3.61Å; I258-F421 HydrophobicContact CG2-CZ 3.92Å; V404-F421 HydrophobicContact CB-CE2 4.22Å; V404-F421 HydrophobicContact CB-CZ 4.27Å; V404-F421 HydrophobicContact CG1-CD2 3.96Å; V404-F421 HydrophobicContact CG1-CE2 3.9Å; V404-F421 HydrophobicContact CG1-CZ 4.41Å; A407-F421 HydrophobicContact CB-CD1 4.16Å; A407-F421 HydrophobicContact CB-CE1 3.63Å; A407-F421 HydrophobicContact CB-CZ 4.42Å; L412-F421 HydrophobicContact CB-CD1 3.94Å; L412-F421 HydrophobicContact CB-CE1 4.21Å; L412-F421 HydrophobicContact CD1-CD1 3.96Å; L412-F421 HydrophobicContact CD1-CE1 3.91Å; E413-F421 WeakPolarHBondContact O-CA 3.03Å; F421-V435 HydrophobicContact CB-CB 4.39Å; F421-V435 HydrophobicContact CB-CG1 4.08Å; F421-V435 HydrophobicContact CB-CG2 3.81Å; F421-V435 HydrophobicContact CD2-CG1 3.87Å; F421-V435 HydrophobicContact CG-CG1 4.27Å; F421-V435 HydrophobicContact CG-CG2 4.2Å; F421-A439 HydrophobicContact CD2-CB 4.27Å; F421-A439 HydrophobicContact CE2-CB 4.45Å; F421-A439 PolarHBondContact N-O 3.06Å; F421-C441 WeakPolarHBondContact O-CB 3.39Å; F421-C441 PolarHBondContact O-N 3.14Å
422	R	98.9	Very high	98.5	Very high	68 Å²	68	50.5 Å²	50.5	26%	0.257	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.1	172.9	-80	176.9	165.5	173.7	5.9	110.3	E413 D415 G420 C441	E413-R422 HydrophobicContact CB-CB 4.26Å; E413-R422 HydrophobicContact CG-CB 4.28Å; E413-R422 PolarHBondContact O-N 2.88Å; E413-R422 WeakPolarHBondContact OE1-CD 3.49Å; E413-R422 IonicContact OE1-CZ 3.68Å; E413-R422 IonicContact OE1-NE 2.78Å; E413-R422 IonicContact OE1-NH1 2.65Å; E413-R422 PolarHBondContact OE1-NH1 3.43Å; D415-R422 HydrophobicContact CB-CG 3.87Å; D415-R422 IonicContact OD2-CZ 3.77Å; D415-R422 IonicContact OD2-NE 3.18Å; D415-R422 PolarHBondContact OD2-NE 3.11Å; D415-R422 IonicContact OD2-NH2 2.63Å; D415-R422 PolarHBondContact OD2-NH2 3.22Å; G420-R422 PolarHBondContact O-N 3.31Å; R422-C441 HydrophobicContact CG-CB 4.45Å
423	V	98.9	Very high	98.5	Very high	4 Å²	4	50 Å²	50	2%	0.024	27%	0.273	C	S	.	.			trans	-123.2	159.7	176.3	-64.7	0	0	0	0	112.6	L427 Q428 A429 V435 C441 F442 R449	V423-L427 WeakPolarHBondContact CG1-O 3.32Å; V423-L427 HydrophobicContact CG2-CD2 4.02Å; V423-Q428 CarbonylContact C-O 3.5Å; V423-Q428 VanDerWaalsContact CA-O 3.23Å; V423-Q428 WeakPolarHBondContact CA-O 3.49Å; V423-Q428 WeakPolarHBondContact CB-O 3.35Å; V423-A429 HydrophobicContact CG1-CB 4.35Å; V423-V435 HydrophobicContact CG1-CB 3.68Å; V423-V435 HydrophobicContact CG1-CG2 3.63Å; V423-C441 PolarHBondContact N-O 3.27Å; V423-F442 HydrophobicContact CG2-CB 4.02Å; V423-R449 VanDerWaalsContact O-CZ 3.3Å; V423-R449 PolarHBondContact O-NH1 2.94Å; V423-R449 PolarHBondContact O-NH2 3.31Å
424	N	98.8	Very high	98.5	Very high	65 Å²	65	45.5 Å²	45.5	35%	0.348	25%	0.251	S	S	.	.			trans	-78	-174.4	168.4	75.7	0.5	0	0	0	111.6	E426 L427 Q428	N424-E426 VanDerWaalsContact C-N 3.26Å; N424-E426 PolarHBondContact O-N 2.84Å; N424-E426 WeakPolarHBondContact OD1-CA 3.41Å; N424-E426 PolarHBondContact OD1-N 3.19Å; N424-L427 PolarHBondContact O-N 2.93Å; N424-L427 VanDerWaalsContact O-N 3.14Å; N424-L427 PolarHBondContact OD1-N 2.62Å; N424-Q428 PolarHBondContact N-O 2.92Å; N424-Q428 PolarHBondContact ND2-OE1 3.22Å; N424-Q428 WeakPolarHBondContact OD1-CB 3.26Å; N424-Q428 PolarHBondContact OD1-N 2.69Å
425	A	98.6	Very high	98.5	Very high	54 Å²	54	42.1 Å²	42.1	45%	0.446	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-31	179.1	0	0	0	0	0	113.4	L427 P475 Y476	A425-L427 PolarHBondContact O-N 3.32Å; A425-P475 HydrophobicContact CB-CB 4.05Å; A425-P475 CarbonylContact O-C 3.6Å; A425-P475 WeakPolarHBondContact O-CA 3.49Å; A425-Y476 PolarHBondContact O-N 3.46Å
426	E	98.8	Very high	98.5	Very high	58 Å²	58	42 Å²	42	27%	0.271	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	11	177.9	-68.8	177.1	-127.9	0	0	113.6	N424 Q428 W434 N468 A473	N424-E426 VanDerWaalsContact C-N 3.26Å; N424-E426 PolarHBondContact O-N 2.84Å; N424-E426 WeakPolarHBondContact OD1-CA 3.41Å; N424-E426 PolarHBondContact OD1-N 3.19Å; E426-Q428 VanDerWaalsContact C-N 3.27Å; E426-Q428 HydrophobicContact CB-CG 4.33Å; E426-Q428 PolarHBondContact O-N 2.79Å; E426-W434 PolarHBondContact O-NE1 3.47Å; E426-N468 PolarHBondContact O-ND2 3.3Å; E426-A473 WeakPolarHBondContact OE2-CA 3.47Å
427	L	98.9	Very high	98.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	65.5	18.5	-174.8	-54.2	176.3	0	0	0	115.1	V423 N424 A425 W434 V435 F442 S461 L464 Y476	V423-L427 WeakPolarHBondContact CG1-O 3.32Å; V423-L427 HydrophobicContact CG2-CD2 4.02Å; N424-L427 PolarHBondContact O-N 2.93Å; N424-L427 VanDerWaalsContact O-N 3.14Å; N424-L427 PolarHBondContact OD1-N 2.62Å; A425-L427 PolarHBondContact O-N 3.32Å; L427-W434 CarbonylContact O-C 3.39Å; L427-W434 WeakPolarHBondContact O-CA 3.47Å; L427-V435 PolarHBondContact O-N 2.78Å; L427-F442 HydrophobicContact CD2-CB 4.12Å; L427-S461 WeakPolarHBondContact CD1-O 3.01Å; L427-L464 HydrophobicContact CD1-CB 4.24Å; L427-L464 HydrophobicContact CD1-CD2 3.99Å; L427-L464 HydrophobicContact CD1-CG 4.38Å; L427-L464 HydrophobicContact CG-CD2 4.3Å; L427-Y476 HydrophobicContact CD1-CD2 4.05Å; L427-Y476 HydrophobicContact CD1-CG 4.44Å; L427-Y476 HydrophobicContact CD2-CD2 4.45Å; L427-Y476 HydrophobicContact CD2-CG 4.06Å; L427-Y476 HydrophobicContact CG-CG 4.48Å
428	Q	98.9	Very high	98.7	Very high	41 Å²	41	32.2 Å²	32.2	19%	0.192	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.1	176.2	-64.4	165.4	-20.3	0	0	112	V423 N424 E426 R430 I433 W434	V423-Q428 CarbonylContact C-O 3.5Å; V423-Q428 VanDerWaalsContact CA-O 3.23Å; V423-Q428 WeakPolarHBondContact CA-O 3.49Å; V423-Q428 WeakPolarHBondContact CB-O 3.35Å; N424-Q428 PolarHBondContact N-O 2.92Å; N424-Q428 PolarHBondContact ND2-OE1 3.22Å; N424-Q428 WeakPolarHBondContact OD1-CB 3.26Å; N424-Q428 PolarHBondContact OD1-N 2.69Å; E426-Q428 VanDerWaalsContact C-N 3.27Å; E426-Q428 HydrophobicContact CB-CG 4.33Å; E426-Q428 PolarHBondContact O-N 2.79Å; Q428-R430 WeakPolarHBondContact CB-O 3.44Å; Q428-I433 CarbonylContact C-O 3.58Å; Q428-I433 WeakPolarHBondContact CA-O 3.33Å; Q428-W434 HydrophobicContact CG-CD2 4.24Å; Q428-W434 HydrophobicContact CG-CG 4.35Å; Q428-W434 HydrophobicContact CG-CZ2 4.05Å; Q428-W434 VanDerWaalsContact CG-NE1 3.32Å
429	A	98.7	Very high	98.8	Very high	16 Å²	16	27.1 Å²	27.1	13%	0.132	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-24.6	159	0	0	0	0	0	111.9	L412 V423 I433 V435	L412-A429 HydrophobicContact CD1-CB 4.45Å; L412-A429 HydrophobicContact CD2-CB 4.44Å; V423-A429 HydrophobicContact CG1-CB 4.35Å; A429-I433 PolarHBondContact N-O 2.88Å; A429-V435 HydrophobicContact CB-CG2 3.94Å
430	R	98.6	Very high	98.8	Very high	93 Å²	93	26.5 Å²	26.5	35%	0.351	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	168.2	171	-63.8	-65.8	-174.1	-95	3.4	109.8	V238 G411 L412 Q428 N432 I433	V238-R430 HydrophobicContact CG1-CG 3.82Å; G411-R430 PolarHBondContact O-NH2 3.17Å; L412-R430 HydrophobicContact CD2-CG 3.76Å; Q428-R430 WeakPolarHBondContact CB-O 3.44Å; R430-N432 PolarHBondContact O-N 3.48Å; R430-I433 HydrophobicContact CB-CB 4Å; R430-I433 HydrophobicContact CB-CD1 4.28Å; R430-I433 HydrophobicContact CB-CG1 4.06Å; R430-I433 HydrophobicContact CG-CD1 4.27Å; R430-I433 PolarHBondContact N-O 3.27Å; R430-I433 PolarHBondContact O-N 2.82Å; R430-I433 VanDerWaalsContact O-O 3.09Å
431	S	98.1	Very high	98.8	Very high	103 Å²	103	26.5 Å²	26.5	72%	0.72	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-29.3	-179.4	46	0	0	0	0	115.2
432	N	98.8	Very high	98.8	Very high	23 Å²	23	26.6 Å²	26.6	12%	0.123	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	16.8	174.9	70	-28.1	0	0	0	114	N241 E254 K255 C256 R430	N241-N432 PolarHBondContact OD1-ND2 3.41Å; E254-N432 WeakPolarHBondContact O-CB 3.47Å; E254-N432 PolarHBondContact O-ND2 2.91Å; K255-N432 WeakPolarHBondContact CA-O 3.39Å; K255-N432 HydrophobicContact CG-CB 4.47Å; C256-N432 PolarHBondContact N-O 3.33Å; R430-N432 PolarHBondContact O-N 3.48Å
433	I	98.9	Very high	98.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	117.2	179.7	-48.8	-178.6	0	0	0	110.3	L236 V238 Y253 C256 I258 Q428 A429 R430	L236-I433 HydrophobicContact CD2-CD1 4.48Å; V238-I433 HydrophobicContact CB-CD1 4.23Å; V238-I433 HydrophobicContact CG1-CD1 3.96Å; V238-I433 HydrophobicContact CG2-CD1 3.61Å; Y253-I433 HydrophobicContact CE2-CG1 4.48Å; Y253-I433 WeakPolarHBondContact OH-CD1 3.22Å; C256-I433 HydrophobicContact CB-CG1 4.25Å; C256-I433 HydrophobicContact CB-CG2 4.29Å; C256-I433 WeakPolarHBondContact O-CA 3.49Å; I258-I433 HydrophobicContact CD1-CG2 3.97Å; I258-I433 HydrophobicContact CG1-CG2 4.09Å; Q428-I433 CarbonylContact C-O 3.58Å; Q428-I433 WeakPolarHBondContact CA-O 3.33Å; A429-I433 PolarHBondContact N-O 2.88Å; R430-I433 HydrophobicContact CB-CB 4Å; R430-I433 HydrophobicContact CB-CD1 4.28Å; R430-I433 HydrophobicContact CB-CG1 4.06Å; R430-I433 HydrophobicContact CG-CD1 4.27Å; R430-I433 PolarHBondContact N-O 3.27Å; R430-I433 PolarHBondContact O-N 2.82Å; R430-I433 VanDerWaalsContact O-O 3.09Å
434	W	98.9	Very high	98.7	Very high	10 Å²	10	30.1 Å²	30.1	4%	0.038	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	163.4	176.5	-71.2	-100.3	0	0	0	111.8	K255 C256 L257 I258 E426 L427 Q428 A465 N468 M469	K255-W434 HydrophobicContact CB-CZ3 4.13Å; K255-W434 HydrophobicContact CG-CZ3 4.16Å; C256-W434 PolarHBondContact O-N 3.16Å; L257-W434 HydrophobicContact CD1-CB 3.79Å; I258-W434 PolarHBondContact N-O 3.43Å; E426-W434 PolarHBondContact O-NE1 3.47Å; L427-W434 CarbonylContact O-C 3.39Å; L427-W434 WeakPolarHBondContact O-CA 3.47Å; Q428-W434 HydrophobicContact CG-CD2 4.24Å; Q428-W434 HydrophobicContact CG-CG 4.35Å; Q428-W434 HydrophobicContact CG-CZ2 4.05Å; Q428-W434 VanDerWaalsContact CG-NE1 3.32Å; W434-A465 HydrophobicContact CB-CB 4.05Å; W434-A465 HydrophobicContact CG-CB 4.37Å; W434-N468 HydrophobicContact CZ2-CB 4.24Å; W434-M469 HydrophobicContact CD2-CG 3.65Å; W434-M469 HydrophobicContact CE3-CG 3.33Å; W434-M469 HydrophobicContact CE3-SD 4.23Å; W434-M469 HydrophobicContact CG-CG 4.31Å; W434-M469 HydrophobicContact CH2-CG 4.11Å; W434-M469 HydrophobicContact CZ2-CG 4.36Å; W434-M469 HydrophobicContact CZ3-CB 4.44Å; W434-M469 HydrophobicContact CZ3-CG 3.58Å
435	V	99	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136.4	172.1	-163.8	0	0	0	0	110.4	I258 F421 V423 L427 A429 A439 A440	I258-V435 HydrophobicContact CB-CG1 4.13Å; I258-V435 HydrophobicContact CB-CG2 4.2Å; I258-V435 HydrophobicContact CD1-CG2 4.5Å; I258-V435 HydrophobicContact CG2-CG1 4.28Å; I258-V435 VanDerWaalsContact O-CA 3.32Å; I258-V435 WeakPolarHBondContact O-CA 3.44Å; I258-V435 WeakPolarHBondContact O-CG1 3.25Å; F421-V435 HydrophobicContact CB-CB 4.39Å; F421-V435 HydrophobicContact CB-CG1 4.08Å; F421-V435 HydrophobicContact CB-CG2 3.81Å; F421-V435 HydrophobicContact CD2-CG1 3.87Å; F421-V435 HydrophobicContact CG-CG1 4.27Å; F421-V435 HydrophobicContact CG-CG2 4.2Å; V423-V435 HydrophobicContact CG1-CB 3.68Å; V423-V435 HydrophobicContact CG1-CG2 3.63Å; L427-V435 PolarHBondContact O-N 2.78Å; A429-V435 HydrophobicContact CB-CG2 3.94Å; V435-A439 HydrophobicContact CG1-CB 4.14Å; V435-A440 HydrophobicContact CB-CB 4.2Å; V435-A440 HydrophobicContact CG1-CB 3.95Å
436	A	98.9	Very high	98.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.			trans	-143.4	162.8	-178.8	0	0	0	0	0	113.3	A142 L257 I258 A465	A142-A436 HydrophobicContact CB-CB 3.89Å; L257-A436 HydrophobicContact CD1-CB 3.93Å; I258-A436 PolarHBondContact O-N 2.91Å; I258-A436 VanDerWaalsContact O-N 3.08Å; A436-A465 HydrophobicContact CB-CB 4.43Å
437	G	98.8	Very high	98	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.021	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	66.8	-159	-176.4	0	0	0	0	0	113.6	A439 A440 H457 S461	G437-A439 PolarHBondContact O-N 2.64Å; G437-A440 PolarHBondContact O-N 2.71Å; G437-H457 PolarHBondContact O-CE1 2.83Å; G437-H457 VanDerWaalsContact O-CE1 3.23Å; G437-S461 PolarHBondContact N-OG 3.16Å
438	D	98.8	Very high	97.9	Very high	18 Å²	18	33.4 Å²	33.4	10%	0.096	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-53.6	-20.2	-168.9	-30.3	-18.1	0	0	0	115.1	R285 R451	R285-D438 IonicContact CZ-OD2 3.54Å; R285-D438 IonicContact NH2-OD2 2.94Å; R285-D438 PolarHBondContact NH2-OD2 3.49Å; D438-R451 VanDerWaalsContact O-CD 3.3Å; D438-R451 WeakPolarHBondContact O-CD 3.5Å; D438-R451 WeakPolarHBondContact O-CG 3.39Å
439	A	98.8	Very high	97.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-82	-16.9	-178.7	0	0	0	0	0	114.5	G420 F421 V435 G437	G420-A439 CarbonylContact C-O 3.56Å; G420-A439 VanDerWaalsContact CA-O 3.25Å; G420-A439 WeakPolarHBondContact CA-O 3.36Å; F421-A439 HydrophobicContact CD2-CB 4.27Å; F421-A439 HydrophobicContact CE2-CB 4.45Å; F421-A439 PolarHBondContact N-O 3.06Å; V435-A439 HydrophobicContact CG1-CB 4.14Å; G437-A439 PolarHBondContact O-N 2.64Å
440	A	98.9	Very high	97.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	123.1	-173.7	0	0	0	0	0	112.6	V435 G437 F442	V435-A440 HydrophobicContact CB-CB 4.2Å; V435-A440 HydrophobicContact CG1-CB 3.95Å; G437-A440 PolarHBondContact O-N 2.71Å; A440-F442 PolarHBondContact O-N 2.91Å
441	C	98.8	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	88.7	162.4	-171.7	0	0	0	0	108.7	D415 G419 F421 R422 V423 R449 R450	D415-C441 HydrophobicContact CB-CB 3.86Å; D415-C441 WeakPolarHBondContact CB-SG 3.49Å; G419-C441 WeakPolarHBondContact O-CB 3.45Å; F421-C441 WeakPolarHBondContact O-CB 3.39Å; F421-C441 PolarHBondContact O-N 3.14Å; R422-C441 HydrophobicContact CG-CB 4.45Å; V423-C441 PolarHBondContact N-O 3.27Å; C441-R449 PolarHBondContact O-NH1 3.12Å; C441-R450 CarbonylContact C-O 3.55Å; C441-R450 WeakPolarHBondContact CA-O 3.32Å
442	F	98.8	Very high	97.8	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.013	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	176	-178.6	66.5	-84.5	0	0	0	111.8	V423 L427 A440 D444 R449 R450 V452 H457 Y476	V423-F442 HydrophobicContact CG2-CB 4.02Å; L427-F442 HydrophobicContact CD2-CB 4.12Å; A440-F442 PolarHBondContact O-N 2.91Å; F442-D444 HydrophobicContact CD2-CB 4.37Å; F442-D444 HydrophobicContact CE2-CB 3.87Å; F442-R449 WeakPolarHBondContact O-CA 3.26Å; F442-R450 HydrophobicContact CD1-CG 4.37Å; F442-R450 HydrophobicContact CD2-CG 4.39Å; F442-R450 HydrophobicContact CE1-CG 3.74Å; F442-R450 HydrophobicContact CE2-CG 3.77Å; F442-R450 HydrophobicContact CZ-CG 3.41Å; F442-R450 VanDerWaalsContact CZ-CG 3.41Å; F442-R450 PolarHBondContact N-O 2.94Å; F442-R450 PolarHBondContact O-N 2.96Å; F442-R450 VanDerWaalsContact O-N 3.12Å; F442-V452 HydrophobicContact CE1-CG1 4.38Å; F442-V452 HydrophobicContact CE1-CG2 4.05Å; F442-V452 HydrophobicContact CZ-CG1 4.38Å; F442-V452 HydrophobicContact CZ-CG2 4.41Å; F442-H457 AromaticContact CD1-NE2 3.36Å; F442-H457 WeakPolarHBondContact CD1-NE2 3.41Å; F442-H457 AromaticContact CE1-CD2 3.62Å; F442-H457 AromaticContact CE1-CE1 3.99Å; F442-H457 AromaticContact CE1-NE2 3.26Å; F442-H457 VanDerWaalsContact CE1-NE2 3.26Å; F442-H457 WeakPolarHBondContact CE1-NE2 3.46Å; F442-Y476 AromaticContact CD2-CD1 3.76Å; F442-Y476 HydrophobicContact CD2-CD1 3.76Å; F442-Y476 AromaticContact CD2-CE1 3.94Å; F442-Y476 HydrophobicContact CD2-CE1 3.94Å; F442-Y476 AromaticContact CE2-CD1 4Å; F442-Y476 HydrophobicContact CE2-CD1 4Å; F442-Y476 AromaticContact CE2-CE1 3.74Å; F442-Y476 HydrophobicContact CE2-CE1 3.74Å; F442-Y476 HydrophobicContact CG-CD1 4.36Å; F442-Y476 HydrophobicContact CZ-CE1 4.16Å
443	Y	98.3	Very high	97.7	Very high	139 Å²	139	31 Å²	31	55%	0.545	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	103.8	172.1	-165	-80	0	0	0	108.8	G448 R449	Y443-G448 CarbonylContact C-O 3.53Å; Y443-R449 HydrophobicContact CD2-CG 4.46Å
444	D	97.8	Very high	97.7	Very high	7 Å²	7	32.5 Å²	32.5	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.5	174.7	-177	-59.1	0	0	0	110.2	F442 K446 L447 G448 R450	F442-D444 HydrophobicContact CD2-CB 4.37Å; F442-D444 HydrophobicContact CE2-CB 3.87Å; D444-K446 PolarHBondContact O-N 2.85Å; D444-K446 VanDerWaalsContact O-N 3.16Å; D444-K446 PolarHBondContact OD1-N 2.92Å; D444-L447 HydrophobicContact CB-CB 4.03Å; D444-L447 PolarHBondContact O-N 2.96Å; D444-L447 PolarHBondContact OD1-N 3.09Å; D444-G448 WeakPolarHBondContact CB-O 3.08Å; D444-G448 PolarHBondContact N-O 3.47Å; D444-G448 PolarHBondContact O-N 2.91Å; D444-R450 VanDerWaalsContact CB-CD 3.45Å; D444-R450 HydrophobicContact CB-CG 3.94Å; D444-R450 WeakPolarHBondContact OD2-CD 3.49Å; D444-R450 IonicContact OD2-CZ 2.64Å; D444-R450 IonicContact OD2-NE 2.66Å; D444-R450 IonicContact OD2-NH1 3.6Å; D444-R450 PolarHBondContact OD2-NH1 3.32Å
445	I	92.7	Very high	97.7	Very high	87 Å²	87	33.2 Å²	33.2	45%	0.446	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.9	-175.5	-169.5	169	0	0	0	114	W477	I445-W477 HydrophobicContact CD1-CB 4.24Å; I445-W477 HydrophobicContact CD1-CD2 4.26Å; I445-W477 HydrophobicContact CD1-CG 3.88Å
446	K	92.7	Very high	97.7	Very high	95 Å²	95	33.3 Å²	33.3	41%	0.413	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-32.3	175.8	-69.9	-67.4	-172.3	161.9	0	113.4	D444 I592 K593	D444-K446 PolarHBondContact O-N 2.85Å; D444-K446 VanDerWaalsContact O-N 3.16Å; D444-K446 PolarHBondContact OD1-N 2.92Å; K446-I592 WeakPolarHBondContact CE-O 3.48Å; K446-I592 PolarHBondContact NZ-O 3.06Å; K446-K593 WeakPolarHBondContact CE-O 3.39Å; K446-K593 PolarHBondContact NZ-O 2.87Å
447	L	94.9	Very high	97.7	Very high	51 Å²	51	33.3 Å²	33.3	27%	0.267	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-7.4	-168.4	-56.8	176.7	0	0	0	114.9	D444 L497	D444-L447 HydrophobicContact CB-CB 4.03Å; D444-L447 PolarHBondContact O-N 2.96Å; D444-L447 PolarHBondContact OD1-N 3.09Å; L447-L497 HydrophobicContact CD1-CB 3.86Å; L447-L497 HydrophobicContact CD2-CB 3.9Å; L447-L497 HydrophobicContact CD2-CD2 4.44Å
448	G	97.1	Very high	97.7	Very high	13 Å²	13	33.4 Å²	33.4	13%	0.134	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.5	-143.5	-177.6	0	0	0	0	0	112.6	Y443 D444 R450	Y443-G448 CarbonylContact C-O 3.53Å; D444-G448 WeakPolarHBondContact CB-O 3.08Å; D444-G448 PolarHBondContact N-O 3.47Å; D444-G448 PolarHBondContact O-N 2.91Å; G448-R450 PolarHBondContact O-N 2.83Å
449	R	98.1	Very high	97.7	Very high	69 Å²	69	34.3 Å²	34.3	26%	0.26	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	123.6	179	-78.9	-75.3	171.2	-144.4	-3.2	110.5	F418 V423 C441 F442 Y443	F418-R449 HydrophobicContact CD2-CB 4.1Å; F418-R449 HydrophobicContact CE2-CB 4.03Å; F418-R449 VanDerWaalsContact CE2-O 3.29Å; F418-R449 WeakPolarHBondContact CE2-O 3.48Å; V423-R449 VanDerWaalsContact O-CZ 3.3Å; V423-R449 PolarHBondContact O-NH1 2.94Å; V423-R449 PolarHBondContact O-NH2 3.31Å; C441-R449 PolarHBondContact O-NH1 3.12Å; F442-R449 WeakPolarHBondContact O-CA 3.26Å; Y443-R449 HydrophobicContact CD2-CG 4.46Å
450	R	97.9	Very high	97.7	Very high	34 Å²	34	34.7 Å²	34.7	13%	0.128	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.5	170.8	81.4	-174	-69	-171.4	5.4	111.8	C441 F442 D444 G448 V452 G496	C441-R450 CarbonylContact C-O 3.55Å; C441-R450 WeakPolarHBondContact CA-O 3.32Å; F442-R450 HydrophobicContact CD1-CG 4.37Å; F442-R450 HydrophobicContact CD2-CG 4.39Å; F442-R450 HydrophobicContact CE1-CG 3.74Å; F442-R450 HydrophobicContact CE2-CG 3.77Å; F442-R450 HydrophobicContact CZ-CG 3.41Å; F442-R450 VanDerWaalsContact CZ-CG 3.41Å; F442-R450 PolarHBondContact N-O 2.94Å; F442-R450 PolarHBondContact O-N 2.96Å; F442-R450 VanDerWaalsContact O-N 3.12Å; D444-R450 VanDerWaalsContact CB-CD 3.45Å; D444-R450 HydrophobicContact CB-CG 3.94Å; D444-R450 WeakPolarHBondContact OD2-CD 3.49Å; D444-R450 IonicContact OD2-CZ 2.64Å; D444-R450 IonicContact OD2-NE 2.66Å; D444-R450 IonicContact OD2-NH1 3.6Å; D444-R450 PolarHBondContact OD2-NH1 3.32Å; G448-R450 PolarHBondContact O-N 2.83Å; R450-V452 HydrophobicContact CG-CG1 4.32Å; R450-G496 PolarHBondContact NH2-O 3.1Å
451	R	98.3	Very high	97.7	Very high	39 Å²	39	34.7 Å²	34.7	15%	0.147	16%	0.161	C	C	.	.			trans	-128.5	147.1	166.5	-172.4	-176.3	65.2	70.9	4.5	107.5	F418 G419 D438 E453	F418-R451 HydrophobicContact CB-CB 4.49Å; F418-R451 PolarHBondContact O-NE 3.18Å; G419-R451 WeakPolarHBondContact O-CD 3.35Å; D438-R451 VanDerWaalsContact O-CD 3.3Å; D438-R451 WeakPolarHBondContact O-CD 3.5Å; D438-R451 WeakPolarHBondContact O-CG 3.39Å; R451-E453 IonicContact CZ-OE1 3.62Å; R451-E453 VanDerWaalsContact CZ-OE1 3.26Å; R451-E453 IonicContact NH1-OE1 3.18Å; R451-E453 PolarHBondContact NH1-OE1 3.2Å; R451-E453 IonicContact NH2-OE1 2.69Å; R451-E453 PolarHBondContact NH2-OE1 2.69Å
452	V	98.1	Very high	97.7	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.042	16%	0.161	C	C	.	.			trans	-140	157.1	177.7	-55.7	0	0	0	0	111.6	F442 R450 H454 H457	F442-V452 HydrophobicContact CE1-CG1 4.38Å; F442-V452 HydrophobicContact CE1-CG2 4.05Å; F442-V452 HydrophobicContact CZ-CG1 4.38Å; F442-V452 HydrophobicContact CZ-CG2 4.41Å; R450-V452 HydrophobicContact CG-CG1 4.32Å; V452-H454 HydrophobicContact CG2-CB 4.38Å; V452-H457 HydrophobicContact CG2-CB 3.37Å
453	E	97.7	Very high	97.7	Very high	78 Å²	78	38 Å²	38	36%	0.364	17%	0.173	S	C	.	.			trans	-114.9	35.2	-171.9	-64	171	-164.4	0	0	110.6	L400 R451	L400-E453 HydrophobicContact CD1-CG 4.17Å; L400-E453 WeakPolarHBondContact CD1-OE1 3.3Å; L400-E453 HydrophobicContact CD2-CG 4.13Å; L400-E453 VanDerWaalsContact CG-CD 3.49Å; L400-E453 HydrophobicContact CG-CG 4.16Å; L400-E453 WeakPolarHBondContact CG-OE1 3.39Å; R451-E453 IonicContact CZ-OE1 3.62Å; R451-E453 VanDerWaalsContact CZ-OE1 3.26Å; R451-E453 IonicContact NH1-OE1 3.18Å; R451-E453 PolarHBondContact NH1-OE1 3.2Å; R451-E453 IonicContact NH2-OE1 2.69Å; R451-E453 PolarHBondContact NH2-OE1 2.69Å
454	H	98.4	Very high	97.7	Very high	30 Å²	30	31.9 Å²	31.9	14%	0.139	15%	0.15	C	C	.	.			trans	-97.2	141	-171.3	-52.2	174.7	0	0	0	111.9	V452 H457 A458 S480 M481 F482	V452-H454 HydrophobicContact CG2-CB 4.38Å; H454-H457 HydrophobicContact CB-CB 3.93Å; H454-H457 PolarHBondContact O-N 3.11Å; H454-A458 PolarHBondContact O-N 3.42Å; H454-A458 VanDerWaalsContact O-N 3.1Å; H454-S480 PolarHBondContact ND1-OG 2.85Å; H454-S480 VanDerWaalsContact ND1-OG 3.09Å; H454-M481 WeakPolarHBondContact CB-O 3.22Å; H454-M481 PolarHBondContact ND1-O 2.83Å; H454-M481 VanDerWaalsContact ND1-O 3.09Å; H454-F482 AromaticContact CD2-CD2 3.99Å
455	H	98.5	Very high	97.8	Very high	25 Å²	25	31.6 Å²	31.6	12%	0.116	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-44.3	172	178.4	92	0	0	0	111.7	P173 A458 V459 W483	P173-H455 HydrophobicContact CG-CB 4.24Å; H455-A458 WeakPolarHBondContact O-CB 3.47Å; H455-A458 PolarHBondContact O-N 2.83Å; H455-A458 VanDerWaalsContact O-N 3.14Å; H455-V459 WeakPolarHBondContact O-CG2 3.27Å; H455-V459 PolarHBondContact O-N 3.47Å; H455-W483 HydrophobicContact CB-CH2 3.75Å; H455-W483 HydrophobicContact CB-CZ3 3.78Å; H455-W483 AromaticContact CD2-CH2 3.79Å; H455-W483 AromaticContact CG-CH2 3.83Å
456	D	98.6	Very high	98.1	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-54.4	-52.7	173.9	166.5	74.8	0	0	0	112.1	A458 V459 V460 H478 S480 M481	D456-A458 VanDerWaalsContact C-N 3.28Å; D456-A458 PolarHBondContact O-N 3.33Å; D456-V459 PolarHBondContact O-N 3.47Å; D456-V459 VanDerWaalsContact O-N 3.13Å; D456-V460 WeakPolarHBondContact O-CG2 3.49Å; D456-V460 PolarHBondContact O-N 2.85Å; D456-H478 IonicContact OD1-CE1 3.37Å; D456-H478 IonicContact OD1-NE2 3.7Å; D456-H478 PolarHBondContact OD1-NE2 3.47Å; D456-H478 IonicContact OD2-CD2 2.93Å; D456-H478 IonicContact OD2-NE2 2.65Å; D456-H478 PolarHBondContact OD2-NE2 2.92Å; D456-S480 WeakPolarHBondContact OD2-CA 3.38Å; D456-S480 WeakPolarHBondContact OD2-CB 3.35Å; D456-S480 PolarHBondContact OD2-OG 2.75Å; D456-M481 HydrophobicContact CB-CG 3.9Å; D456-M481 WeakPolarHBondContact CB-O 3.48Å; D456-M481 PolarHBondContact OD2-N 3.06Å
457	H	98.8	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-52.7	-46.7	173.5	173.4	-110	0	0	0	111.6	G437 F442 V452 H454 V459 V460 S461 Y476 S480	G437-H457 PolarHBondContact O-CE1 2.83Å; G437-H457 VanDerWaalsContact O-CE1 3.23Å; F442-H457 AromaticContact CD1-NE2 3.36Å; F442-H457 WeakPolarHBondContact CD1-NE2 3.41Å; F442-H457 AromaticContact CE1-CD2 3.62Å; F442-H457 AromaticContact CE1-CE1 3.99Å; F442-H457 AromaticContact CE1-NE2 3.26Å; F442-H457 VanDerWaalsContact CE1-NE2 3.26Å; F442-H457 WeakPolarHBondContact CE1-NE2 3.46Å; V452-H457 HydrophobicContact CG2-CB 3.37Å; H454-H457 HydrophobicContact CB-CB 3.93Å; H454-H457 PolarHBondContact O-N 3.11Å; H457-V459 PolarHBondContact O-N 2.92Å; H457-V460 PolarHBondContact O-N 2.96Å; H457-S461 WeakPolarHBondContact O-CB 3.42Å; H457-S461 PolarHBondContact O-N 3.03Å; H457-S461 PolarHBondContact O-OG 2.73Å; H457-Y476 AromaticContact CD2-CZ 3.76Å; H457-Y476 PolarHBondContact CD2-OH 2.85Å; H457-Y476 VanDerWaalsContact CD2-OH 3.29Å; H457-S480 WeakPolarHBondContact CA-OG 3.47Å; H457-S480 WeakPolarHBondContact CB-OG 3.45Å; H457-S480 PolarHBondContact N-OG 2.76Å; H457-S480 VanDerWaalsContact N-OG 3.1Å
458	A	98.8	Very high	98.5	Very high	5 Å²	5	22.5 Å²	22.5	4%	0.041	10%	0.104	C	C	.	.	H	α-helix	trans	-64.3	-39	-179.7	0	0	0	0	0	112.7	T141 A142 H454 H455 D456 G462	T141-A458 HydrophobicContact CG2-CB 3.91Å; A142-A458 VanDerWaalsContact CA-O 3.26Å; A142-A458 WeakPolarHBondContact CA-O 3.5Å; A142-A458 HydrophobicContact CB-CB 4.26Å; A142-A458 WeakPolarHBondContact CB-O 3.26Å; H454-A458 PolarHBondContact O-N 3.42Å; H454-A458 VanDerWaalsContact O-N 3.1Å; H455-A458 WeakPolarHBondContact O-CB 3.47Å; H455-A458 PolarHBondContact O-N 2.83Å; H455-A458 VanDerWaalsContact O-N 3.14Å; D456-A458 VanDerWaalsContact C-N 3.28Å; D456-A458 PolarHBondContact O-N 3.33Å; A458-G462 PolarHBondContact O-N 2.93Å; A458-G462 VanDerWaalsContact O-N 3.08Å
459	V	98.8	Very high	98.6	Very high	36 Å²	36	21.9 Å²	21.9	22%	0.218	10%	0.098	C	C	.	.	H	α-helix	trans	-65.4	-53.1	174.6	172.9	0	0	0	0	111	T141 A145 H455 D456 H457 R463	T141-V459 HydrophobicContact CG2-CG2 3.58Å; A145-V459 WeakPolarHBondContact CB-O 3.41Å; H455-V459 WeakPolarHBondContact O-CG2 3.27Å; H455-V459 PolarHBondContact O-N 3.47Å; D456-V459 PolarHBondContact O-N 3.47Å; D456-V459 VanDerWaalsContact O-N 3.13Å; H457-V459 PolarHBondContact O-N 2.92Å; V459-R463 WeakPolarHBondContact O-CB 3.49Å; V459-R463 PolarHBondContact O-N 2.64Å
460	V	98.8	Very high	98.7	Very high	9 Å²	9	19.7 Å²	19.7	6%	0.055	9%	0.092	C	C	.	.	H	α-helix	trans	-72.4	-43	-173	-176.7	0	0	0	0	112	D456 H457 R463 L464 Y476 H478 E535	D456-V460 WeakPolarHBondContact O-CG2 3.49Å; D456-V460 PolarHBondContact O-N 2.85Å; H457-V460 PolarHBondContact O-N 2.96Å; V460-R463 PolarHBondContact O-N 3.41Å; V460-L464 WeakPolarHBondContact O-CB 3.4Å; V460-L464 PolarHBondContact O-N 2.91Å; V460-Y476 HydrophobicContact CB-CE2 4.28Å; V460-Y476 HydrophobicContact CG1-CE2 3.88Å; V460-H478 HydrophobicContact CG1-CB 3.81Å; V460-E535 HydrophobicContact CG2-CG 4.14Å; V460-E535 WeakPolarHBondContact CG2-OE1 3.28Å
461	S	98.9	Very high	98.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68.6	-38.1	176.6	65.3	0	0	0	0	111.8	L427 G437 H457 L464 A465	L427-S461 WeakPolarHBondContact CD1-O 3.01Å; G437-S461 PolarHBondContact N-OG 3.16Å; H457-S461 WeakPolarHBondContact O-CB 3.42Å; H457-S461 PolarHBondContact O-N 3.03Å; H457-S461 PolarHBondContact O-OG 2.73Å; S461-L464 PolarHBondContact O-N 3.19Å; S461-A465 WeakPolarHBondContact O-CB 3.37Å; S461-A465 PolarHBondContact O-N 2.97Å
462	G	98.9	Very high	98.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-48.1	174.1	0	0	0	0	0	111.7	A142 A146 A458 A465 G466	A142-G462 VanDerWaalsContact O-CA 3.3Å; A142-G462 WeakPolarHBondContact O-CA 3.27Å; A146-G462 WeakPolarHBondContact CA-O 3.28Å; A146-G462 WeakPolarHBondContact CB-O 3.38Å; A146-G462 PolarHBondContact N-O 3.4Å; A458-G462 PolarHBondContact O-N 2.93Å; A458-G462 VanDerWaalsContact O-N 3.08Å; G462-A465 PolarHBondContact O-N 3.41Å; G462-G466 PolarHBondContact O-N 2.9Å; G462-G466 VanDerWaalsContact O-N 3.09Å
463	R	98.9	Very high	98.7	Very high	72 Å²	72	23.3 Å²	23.3	27%	0.272	15%	0.145	S	C	.	.	H	α-helix	trans	-58.5	-52.3	174.5	-174.1	-179.2	64.3	-121.7	-0.9	111	S149 V459 V460 A465 G466 E467 E535	S149-R463 WeakPolarHBondContact CB-O 3.32Å; S149-R463 PolarHBondContact OG-O 2.78Å; V459-R463 WeakPolarHBondContact O-CB 3.49Å; V459-R463 PolarHBondContact O-N 2.64Å; V460-R463 PolarHBondContact O-N 3.41Å; R463-A465 VanDerWaalsContact C-N 3.32Å; R463-A465 PolarHBondContact O-N 3.03Å; R463-G466 CarbonylContact O-C 3.57Å; R463-G466 WeakPolarHBondContact O-CA 3.36Å; R463-G466 PolarHBondContact O-N 3.13Å; R463-E467 HydrophobicContact CG-CG 4.47Å; R463-E467 WeakPolarHBondContact O-CG 3.4Å; R463-E467 PolarHBondContact O-N 2.88Å; R463-E535 IonicContact CZ-OE1 2.78Å; R463-E535 IonicContact CZ-OE2 3.64Å; R463-E535 VanDerWaalsContact NH1-CD 3.3Å; R463-E535 IonicContact NH1-OE1 3.57Å; R463-E535 PolarHBondContact NH1-OE1 3.31Å; R463-E535 IonicContact NH1-OE2 3.62Å; R463-E535 PolarHBondContact NH1-OE2 3.12Å; R463-E535 IonicContact NH2-OE1 3.4Å; R463-E535 IonicContact NH2-OE2 2.73Å; R463-E535 PolarHBondContact NH2-OE2 2.87Å
464	L	98.9	Very high	98.7	Very high	11 Å²	11	23.7 Å²	23.7	6%	0.058	15%	0.145	C	C	.	.	H	α-helix	trans	-58.5	-41.4	-179.6	-177.5	67.6	0	0	0	112.6	L427 V460 S461 G466 E467 N468 K474 Y476	L427-L464 HydrophobicContact CD1-CB 4.24Å; L427-L464 HydrophobicContact CD1-CD2 3.99Å; L427-L464 HydrophobicContact CD1-CG 4.38Å; L427-L464 HydrophobicContact CG-CD2 4.3Å; V460-L464 WeakPolarHBondContact O-CB 3.4Å; V460-L464 PolarHBondContact O-N 2.91Å; S461-L464 PolarHBondContact O-N 3.19Å; L464-G466 VanDerWaalsContact C-N 3.3Å; L464-G466 PolarHBondContact O-N 3.23Å; L464-E467 WeakPolarHBondContact CD1-OE2 3.18Å; L464-E467 WeakPolarHBondContact O-CB 3.45Å; L464-E467 PolarHBondContact O-N 2.78Å; L464-E467 VanDerWaalsContact O-N 3.16Å; L464-N468 PolarHBondContact O-N 2.79Å; L464-K474 HydrophobicContact CD1-CB 3.6Å; L464-Y476 HydrophobicContact CD2-CD2 3.66Å; L464-Y476 HydrophobicContact CD2-CG 4.15Å
465	A	98.9	Very high	98.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.3	-43.3	174.7	0	0	0	0	0	111	L257 W434 A436 S461 G462 R463 E467 N468 M469	L257-A465 HydrophobicContact CD1-CB 3.79Å; L257-A465 HydrophobicContact CD2-CB 4.41Å; W434-A465 HydrophobicContact CB-CB 4.05Å; W434-A465 HydrophobicContact CG-CB 4.37Å; A436-A465 HydrophobicContact CB-CB 4.43Å; S461-A465 WeakPolarHBondContact O-CB 3.37Å; S461-A465 PolarHBondContact O-N 2.97Å; G462-A465 PolarHBondContact O-N 3.41Å; R463-A465 VanDerWaalsContact C-N 3.32Å; R463-A465 PolarHBondContact O-N 3.03Å; A465-E467 PolarHBondContact O-N 2.92Å; A465-N468 PolarHBondContact O-N 2.98Å; A465-M469 WeakPolarHBondContact O-CB 3.5Å; A465-M469 WeakPolarHBondContact O-CG 3.39Å; A465-M469 PolarHBondContact O-N 2.9Å
466	G	98.9	Very high	98.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.8	-36.3	173.2	0	0	0	0	0	114.2	G462 R463 L464 T470	G462-G466 PolarHBondContact O-N 2.9Å; G462-G466 VanDerWaalsContact O-N 3.09Å; R463-G466 CarbonylContact O-C 3.57Å; R463-G466 WeakPolarHBondContact O-CA 3.36Å; R463-G466 PolarHBondContact O-N 3.13Å; L464-G466 VanDerWaalsContact C-N 3.3Å; L464-G466 PolarHBondContact O-N 3.23Å; G466-T470 PolarHBondContact O-N 2.98Å; G466-T470 VanDerWaalsContact O-N 3.08Å; G466-T470 PolarHBondContact O-OG1 3.4Å
467	E	98.9	Very high	98.7	Very high	34 Å²	34	31.5 Å²	31.5	16%	0.159	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-43.2	172.6	-61.1	-179	116.2	0	0	111.6	S149 R463 L464 A465 T470 G471 A472 K474	S149-E467 VanDerWaalsContact OG-CG 3.28Å; S149-E467 WeakPolarHBondContact OG-CG 3.46Å; S149-E467 PolarHBondContact OG-N 2.92Å; R463-E467 HydrophobicContact CG-CG 4.47Å; R463-E467 WeakPolarHBondContact O-CG 3.4Å; R463-E467 PolarHBondContact O-N 2.88Å; L464-E467 WeakPolarHBondContact CD1-OE2 3.18Å; L464-E467 WeakPolarHBondContact O-CB 3.45Å; L464-E467 PolarHBondContact O-N 2.78Å; L464-E467 VanDerWaalsContact O-N 3.16Å; A465-E467 PolarHBondContact O-N 2.92Å; E467-T470 WeakPolarHBondContact CA-OG1 3.21Å; E467-T470 CarbonylContact O-C 3.57Å; E467-T470 WeakPolarHBondContact O-CA 3.42Å; E467-T470 PolarHBondContact O-N 3.05Å; E467-T470 VanDerWaalsContact O-N 3.16Å; E467-T470 PolarHBondContact O-OG1 3.13Å; E467-T470 VanDerWaalsContact O-OG1 3.06Å; E467-G471 PolarHBondContact O-N 3.26Å; E467-A472 HydrophobicContact CB-CB 3.81Å; E467-A472 WeakPolarHBondContact O-CB 3.14Å; E467-A472 PolarHBondContact O-N 3.07Å; E467-K474 IonicContact OE1-NZ 2.75Å; E467-K474 PolarHBondContact OE1-NZ 3.37Å; E467-K474 VanDerWaalsContact OE2-CE 3.25Å; E467-K474 WeakPolarHBondContact OE2-CE 3.46Å; E467-K474 IonicContact OE2-NZ 2.64Å; E467-K474 PolarHBondContact OE2-NZ 2.87Å
468	N	98.9	Very high	98.6	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.043	19%	0.185	C	C	.	.	H	α-helix	trans	-73.3	-35.9	-179.7	-68.9	-11.5	0	0	0	112	E426 W434 L464 A465 T470 G471 A473 K474	E426-N468 PolarHBondContact O-ND2 3.3Å; W434-N468 HydrophobicContact CZ2-CB 4.24Å; L464-N468 PolarHBondContact O-N 2.79Å; A465-N468 PolarHBondContact O-N 2.98Å; N468-T470 PolarHBondContact O-N 3.33Å; N468-G471 PolarHBondContact O-N 3.49Å; N468-A473 PolarHBondContact OD1-N 2.87Å; N468-K474 PolarHBondContact ND2-O 3.21Å; N468-K474 PolarHBondContact OD1-N 2.82Å
469	M	98.9	Very high	98.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-29.2	167.9	-71	165.9	80.3	0	0	111.9	F134 L136 I150 K255 L257 W434 A465	F134-M469 HydrophobicContact CB-CE 4.5Å; F134-M469 HydrophobicContact CD1-CB 4.28Å; F134-M469 HydrophobicContact CD1-CE 3.97Å; F134-M469 HydrophobicContact CE1-CB 4.13Å; L136-M469 HydrophobicContact CD2-CE 3.73Å; L136-M469 HydrophobicContact CD2-SD 4.4Å; I150-M469 HydrophobicContact CD1-CE 4.03Å; I150-M469 HydrophobicContact CD1-SD 4.18Å; K255-M469 HydrophobicContact CB-CE 4.07Å; K255-M469 HydrophobicContact CD-CB 4.38Å; K255-M469 WeakPolarHBondContact CD-O 3.48Å; K255-M469 WeakPolarHBondContact CE-O 3.5Å; K255-M469 PolarHBondContact NZ-O 3.33Å; L257-M469 HydrophobicContact CB-CE 4.19Å; L257-M469 HydrophobicContact CB-SD 4Å; W434-M469 HydrophobicContact CD2-CG 3.65Å; W434-M469 HydrophobicContact CE3-CG 3.33Å; W434-M469 HydrophobicContact CE3-SD 4.23Å; W434-M469 HydrophobicContact CG-CG 4.31Å; W434-M469 HydrophobicContact CH2-CG 4.11Å; W434-M469 HydrophobicContact CZ2-CG 4.36Å; W434-M469 HydrophobicContact CZ3-CB 4.44Å; W434-M469 HydrophobicContact CZ3-CG 3.58Å; A465-M469 WeakPolarHBondContact O-CB 3.5Å; A465-M469 WeakPolarHBondContact O-CG 3.39Å; A465-M469 PolarHBondContact O-N 2.9Å
470	T	98.8	Very high	98.5	Very high	24 Å²	24	31.4 Å²	31.4	15%	0.147	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	32.5	170.3	53.7	0	0	0	0	112.8	F134 I150 R153 D154 G466 E467 N468 A472	F134-T470 HydrophobicContact CE1-CG2 4.25Å; F134-T470 HydrophobicContact CZ-CG2 4.05Å; I150-T470 HydrophobicContact CB-CG2 4.31Å; I150-T470 HydrophobicContact CG1-CG2 4.28Å; I150-T470 HydrophobicContact CG2-CG2 4.05Å; R153-T470 HydrophobicContact CB-CG2 4.29Å; R153-T470 VanDerWaalsContact CD-OG1 3.3Å; R153-T470 WeakPolarHBondContact CD-OG1 3.35Å; R153-T470 PolarHBondContact NE-OG1 2.87Å; R153-T470 PolarHBondContact NH2-O 2.81Å; D154-T470 HydrophobicContact CB-CG2 4.38Å; G466-T470 PolarHBondContact O-N 2.98Å; G466-T470 VanDerWaalsContact O-N 3.08Å; G466-T470 PolarHBondContact O-OG1 3.4Å; E467-T470 WeakPolarHBondContact CA-OG1 3.21Å; E467-T470 CarbonylContact O-C 3.57Å; E467-T470 WeakPolarHBondContact O-CA 3.42Å; E467-T470 PolarHBondContact O-N 3.05Å; E467-T470 VanDerWaalsContact O-N 3.16Å; E467-T470 PolarHBondContact O-OG1 3.13Å; E467-T470 VanDerWaalsContact O-OG1 3.06Å; N468-T470 PolarHBondContact O-N 3.33Å; T470-A472 PolarHBondContact O-N 2.89Å
471	G	98.3	Very high	98.4	Very high	64 Å²	64	31 Å²	31	66%	0.66	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	14.8	163.6	0	0	0	0	0	116.9	E467 N468	E467-G471 PolarHBondContact O-N 3.26Å; N468-G471 PolarHBondContact O-N 3.49Å
472	A	98.6	Very high	98.4	Very high	29 Å²	29	33.1 Å²	33.1	24%	0.24	18%	0.182	C	C	.	.			trans	-74.5	-23.8	-176.9	0	0	0	0	0	115.3	E467 T470 K474	E467-A472 HydrophobicContact CB-CB 3.81Å; E467-A472 WeakPolarHBondContact O-CB 3.14Å; E467-A472 PolarHBondContact O-N 3.07Å; T470-A472 PolarHBondContact O-N 2.89Å; A472-K474 VanDerWaalsContact C-N 3.27Å; A472-K474 HydrophobicContact CB-CG 4.22Å; A472-K474 PolarHBondContact O-N 3.4Å
473	A	98.1	Very high	98.4	Very high	63 Å²	63	33.7 Å²	33.7	52%	0.521	18%	0.184	S	C	.	.			trans	47.3	42.3	-179.5	0	0	0	0	0	114.7	E426 N468	E426-A473 WeakPolarHBondContact OE2-CA 3.47Å; N468-A473 PolarHBondContact OD1-N 2.87Å
474	K	98.6	Very high	98.3	Very high	85 Å²	85	30.2 Å²	30.2	37%	0.37	17%	0.171	S	C	.	.			trans	-99.1	139	-176.4	-74.3	-168.7	-66.3	165.2	0	112.2	L464 E467 N468 A472	L464-K474 HydrophobicContact CD1-CB 3.6Å; E467-K474 IonicContact OE1-NZ 2.75Å; E467-K474 PolarHBondContact OE1-NZ 3.37Å; E467-K474 VanDerWaalsContact OE2-CE 3.25Å; E467-K474 WeakPolarHBondContact OE2-CE 3.46Å; E467-K474 IonicContact OE2-NZ 2.64Å; E467-K474 PolarHBondContact OE2-NZ 2.87Å; N468-K474 PolarHBondContact ND2-O 3.21Å; N468-K474 PolarHBondContact OD1-N 2.82Å; A472-K474 VanDerWaalsContact C-N 3.27Å; A472-K474 HydrophobicContact CB-CG 4.22Å; A472-K474 PolarHBondContact O-N 3.4Å
475	P	98.6	Very high	98.3	Very high	46 Å²	46	29.8 Å²	29.8	30%	0.299	17%	0.168	S	C	.	.			trans	-80.2	152.7	176.9	33.4	-36	0	0	0	113.2	A425 W477	A425-P475 HydrophobicContact CB-CB 4.05Å; A425-P475 CarbonylContact O-C 3.6Å; A425-P475 WeakPolarHBondContact O-CA 3.49Å; P475-W477 HydrophobicContact CB-CD2 4.46Å; P475-W477 HydrophobicContact CB-CZ2 4.4Å; P475-W477 HydrophobicContact CG-CD2 3.84Å; P475-W477 VanDerWaalsContact CG-CE2 3.43Å; P475-W477 HydrophobicContact CG-CE3 4.34Å; P475-W477 HydrophobicContact CG-CG 4.34Å; P475-W477 HydrophobicContact CG-CH2 4.15Å; P475-W477 HydrophobicContact CG-CZ2 3.61Å; P475-W477 HydrophobicContact CG-CZ3 4.48Å; P475-W477 PolarHBondContact O-N 3.3Å
476	Y	98.6	Very high	98.3	Very high	9 Å²	9	29.8 Å²	29.8	4%	0.035	17%	0.168	C	C	.	.			trans	-83.6	94.9	173.4	-167.3	-98.6	0	0	0	110.8	A425 L427 F442 H457 V460 L464 H478	A425-Y476 PolarHBondContact O-N 3.46Å; L427-Y476 HydrophobicContact CD1-CD2 4.05Å; L427-Y476 HydrophobicContact CD1-CG 4.44Å; L427-Y476 HydrophobicContact CD2-CD2 4.45Å; L427-Y476 HydrophobicContact CD2-CG 4.06Å; L427-Y476 HydrophobicContact CG-CG 4.48Å; F442-Y476 AromaticContact CD2-CD1 3.76Å; F442-Y476 HydrophobicContact CD2-CD1 3.76Å; F442-Y476 AromaticContact CD2-CE1 3.94Å; F442-Y476 HydrophobicContact CD2-CE1 3.94Å; F442-Y476 AromaticContact CE2-CD1 4Å; F442-Y476 HydrophobicContact CE2-CD1 4Å; F442-Y476 AromaticContact CE2-CE1 3.74Å; F442-Y476 HydrophobicContact CE2-CE1 3.74Å; F442-Y476 HydrophobicContact CG-CD1 4.36Å; F442-Y476 HydrophobicContact CZ-CE1 4.16Å; H457-Y476 AromaticContact CD2-CZ 3.76Å; H457-Y476 PolarHBondContact CD2-OH 2.85Å; H457-Y476 VanDerWaalsContact CD2-OH 3.29Å; V460-Y476 HydrophobicContact CB-CE2 4.28Å; V460-Y476 HydrophobicContact CG1-CE2 3.88Å; L464-Y476 HydrophobicContact CD2-CD2 3.66Å; L464-Y476 HydrophobicContact CD2-CG 4.15Å; Y476-H478 HydrophobicContact CE1-CB 4.25Å; Y476-H478 HydrophobicContact CE2-CB 3.96Å; Y476-H478 PolarHBondContact OH-CD2 3.26Å
477	W	97.4	Very high	98.2	Very high	167 Å²	167	30 Å²	30	63%	0.633	17%	0.17	S	C	*	.			trans	-106.5	4.6	175.9	-65	-19.2	0	0	0	113.8	I445 P475 Q479	I445-W477 HydrophobicContact CD1-CB 4.24Å; I445-W477 HydrophobicContact CD1-CD2 4.26Å; I445-W477 HydrophobicContact CD1-CG 3.88Å; P475-W477 HydrophobicContact CB-CD2 4.46Å; P475-W477 HydrophobicContact CB-CZ2 4.4Å; P475-W477 HydrophobicContact CG-CD2 3.84Å; P475-W477 VanDerWaalsContact CG-CE2 3.43Å; P475-W477 HydrophobicContact CG-CE3 4.34Å; P475-W477 HydrophobicContact CG-CG 4.34Å; P475-W477 HydrophobicContact CG-CH2 4.15Å; P475-W477 HydrophobicContact CG-CZ2 3.61Å; P475-W477 HydrophobicContact CG-CZ3 4.48Å; P475-W477 PolarHBondContact O-N 3.3Å; W477-Q479 PolarHBondContact O-N 3.33Å
478	H	97.7	Very high	98.1	Very high	28 Å²	28	29.3 Å²	29.3	13%	0.13	17%	0.169	C	C	.	.			trans	-68.2	126.7	-177	-175.9	72.3	0	0	0	112.1	D456 V460 Y476 S480	D456-H478 IonicContact OD1-CE1 3.37Å; D456-H478 IonicContact OD1-NE2 3.7Å; D456-H478 PolarHBondContact OD1-NE2 3.47Å; D456-H478 IonicContact OD2-CD2 2.93Å; D456-H478 IonicContact OD2-NE2 2.65Å; D456-H478 PolarHBondContact OD2-NE2 2.92Å; V460-H478 HydrophobicContact CG1-CB 3.81Å; Y476-H478 HydrophobicContact CE1-CB 4.25Å; Y476-H478 HydrophobicContact CE2-CB 3.96Å; Y476-H478 PolarHBondContact OH-CD2 3.26Å; H478-S480 PolarHBondContact O-N 3.2Å
479	Q	96.8	Very high	98	Very high	9 Å²	9	32.8 Å²	32.8	4%	0.042	19%	0.188	C	C	.	.			trans	-86.1	99.1	171.9	-65.2	-179.1	-67.1	0	0	109.2	W477 I495 R589	W477-Q479 PolarHBondContact O-N 3.33Å; Q479-I495 HydrophobicContact CB-CD1 4.02Å; Q479-I495 WeakPolarHBondContact O-CD1 3.33Å; Q479-R589 HydrophobicContact CB-CG 4.45Å; Q479-R589 PolarHBondContact OE1-O 2.82Å
480	S	97.7	Very high	98	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	19%	0.191	C	C	.	.			trans	-72.3	134.1	-171.2	-178.4	0	0	0	0	113.7	H454 D456 H457 H478	H454-S480 PolarHBondContact ND1-OG 2.85Å; H454-S480 VanDerWaalsContact ND1-OG 3.09Å; D456-S480 WeakPolarHBondContact OD2-CA 3.38Å; D456-S480 WeakPolarHBondContact OD2-CB 3.35Å; D456-S480 PolarHBondContact OD2-OG 2.75Å; H457-S480 WeakPolarHBondContact CA-OG 3.47Å; H457-S480 WeakPolarHBondContact CB-OG 3.45Å; H457-S480 PolarHBondContact N-OG 2.76Å; H457-S480 VanDerWaalsContact N-OG 3.1Å; H478-S480 PolarHBondContact O-N 3.2Å
481	M	98.1	Very high	97.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	159.7	173.4	70.7	169.8	-69.7	0	0	112.5	H454 D456 W483 E493 A494 R529 E533 M585	H454-M481 WeakPolarHBondContact CB-O 3.22Å; H454-M481 PolarHBondContact ND1-O 2.83Å; H454-M481 VanDerWaalsContact ND1-O 3.09Å; D456-M481 HydrophobicContact CB-CG 3.9Å; D456-M481 WeakPolarHBondContact CB-O 3.48Å; D456-M481 PolarHBondContact OD2-N 3.06Å; M481-W483 HydrophobicContact CE-CB 4.42Å; M481-E493 HydrophobicContact CE-CB 4.49Å; M481-E493 HydrophobicContact CE-CG 4.32Å; M481-A494 CarbonylContact C-O 3.5Å; M481-A494 WeakPolarHBondContact CA-O 3.47Å; M481-R529 HydrophobicContact CE-CB 4.45Å; M481-E533 HydrophobicContact CE-CB 4.24Å; M481-E533 HydrophobicContact CE-CG 3.74Å; M481-E533 HydrophobicContact SD-CB 3.72Å; M481-E533 HydrophobicContact SD-CG 3.91Å; M481-M585 HydrophobicContact CB-CE 4.1Å; M481-M585 HydrophobicContact CB-CG 3.96Å; M481-M585 HydrophobicContact CB-SD 3.85Å; M481-M585 HydrophobicContact CE-CE 4.27Å; M481-M585 HydrophobicContact CG-CG 4.48Å; M481-M585 HydrophobicContact SD-CG 3.94Å
482	F	97.8	Very high	98	Very high	46 Å²	46	29.2 Å²	29.2	20%	0.202	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153.6	168.6	171	-94.8	0	0	0	109.5	F310 H454 E493 A494	F310-F482 HydrophobicContact CB-CE1 4.22Å; F310-F482 HydrophobicContact CB-CZ 3.79Å; F310-F482 AromaticContact CD1-CE1 3.85Å; F310-F482 HydrophobicContact CD1-CE1 3.85Å; F310-F482 HydrophobicContact CD1-CZ 4.28Å; F310-F482 HydrophobicContact CD2-CD1 4.45Å; F310-F482 AromaticContact CD2-CE1 3.49Å; F310-F482 HydrophobicContact CD2-CE1 3.49Å; F310-F482 VanDerWaalsContact CD2-CE1 3.49Å; F310-F482 AromaticContact CD2-CZ 3.7Å; F310-F482 HydrophobicContact CD2-CZ 3.7Å; F310-F482 AromaticContact CE1-CE1 4Å; F310-F482 HydrophobicContact CE1-CE1 4Å; F310-F482 HydrophobicContact CE2-CD1 4.28Å; F310-F482 AromaticContact CE2-CE1 3.66Å; F310-F482 HydrophobicContact CE2-CE1 3.66Å; F310-F482 HydrophobicContact CE2-CZ 4.33Å; F310-F482 AromaticContact CG-CE1 3.59Å; F310-F482 HydrophobicContact CG-CE1 3.59Å; F310-F482 AromaticContact CG-CZ 3.67Å; F310-F482 HydrophobicContact CG-CZ 3.67Å; F310-F482 HydrophobicContact CZ-CD1 4.49Å; F310-F482 AromaticContact CZ-CE1 3.92Å; F310-F482 HydrophobicContact CZ-CE1 3.92Å; H454-F482 AromaticContact CD2-CD2 3.99Å; F482-E493 CarbonylContact O-C 3.43Å; F482-E493 VanDerWaalsContact O-CA 3.25Å; F482-E493 WeakPolarHBondContact O-CA 3.39Å; F482-A494 HydrophobicContact CB-CB 4.38Å; F482-A494 HydrophobicContact CD1-CB 4.31Å; F482-A494 PolarHBondContact N-O 2.96Å; F482-A494 PolarHBondContact O-N 3.41Å
483	W	98.5	Very high	98	Very high	11 Å²	11	27.9 Å²	27.9	4%	0.042	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	156.3	166	83.3	100.8	0	0	0	112.4	P173 H455 M481 Y492 E493 I528 R529 S530	P173-W483 HydrophobicContact CB-CZ2 3.91Å; P173-W483 HydrophobicContact CG-CH2 3.93Å; P173-W483 HydrophobicContact CG-CZ2 3.84Å; H455-W483 HydrophobicContact CB-CH2 3.75Å; H455-W483 HydrophobicContact CB-CZ3 3.78Å; H455-W483 AromaticContact CD2-CH2 3.79Å; H455-W483 AromaticContact CG-CH2 3.83Å; M481-W483 HydrophobicContact CE-CB 4.42Å; W483-Y492 CarbonylContact C-O 3.46Å; W483-Y492 WeakPolarHBondContact CA-O 3.45Å; W483-Y492 WeakPolarHBondContact CB-O 3.27Å; W483-E493 HydrophobicContact CB-CG 4.23Å; W483-I528 HydrophobicContact CH2-CB 4.48Å; W483-I528 HydrophobicContact CH2-CG2 3.69Å; W483-I528 HydrophobicContact CZ2-CB 4.39Å; W483-I528 HydrophobicContact CZ2-CD1 4.15Å; W483-I528 HydrophobicContact CZ2-CG2 4.08Å; W483-R529 HydrophobicContact CB-CB 3.82Å; W483-R529 HydrophobicContact CB-CG 4.25Å; W483-R529 HydrophobicContact CD2-CB 3.51Å; W483-R529 HydrophobicContact CE3-CB 4.06Å; W483-R529 HydrophobicContact CG-CB 3.35Å; W483-R529 HydrophobicContact CG-CG 4.22Å; W483-S530 WeakPolarHBondContact CZ3-OG 3.39Å
484	S	98.6	Very high	98	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	128	175	-177.7	0	0	0	0	110.4	F310 E314 G491 Y492	F310-S484 WeakPolarHBondContact CD1-OG 3.48Å; E314-S484 WeakPolarHBondContact CG-OG 3.22Å; E314-S484 WeakPolarHBondContact OE1-CA 3.31Å; E314-S484 WeakPolarHBondContact OE1-CB 3.33Å; E314-S484 PolarHBondContact OE1-OG 3.31Å; S484-G491 CarbonylContact O-C 3.58Å; S484-G491 WeakPolarHBondContact O-CA 3.39Å; S484-Y492 PolarHBondContact N-O 3.18Å; S484-Y492 PolarHBondContact O-N 2.83Å
485	D	98.6	Very high	98	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	113.4	179.3	-69.3	9.6	0	0	0	107.9	K177 W196 G487 P517 R529	K177-D485 HydrophobicContact CD-CB 4.13Å; W196-D485 HydrophobicContact CZ2-CB 4.2Å; W196-D485 PolarHBondContact NE1-OD2 3.08Å; D485-G487 PolarHBondContact O-N 3.31Å; D485-P517 HydrophobicContact CB-CB 4.44Å; D485-P517 HydrophobicContact CB-CG 4.43Å; D485-R529 IonicContact OD1-NH2 3.01Å; D485-R529 IonicContact OD2-CZ 2.64Å; D485-R529 IonicContact OD2-NH2 3.23Å; D485-R529 PolarHBondContact OD2-NH2 3.11Å
486	L	98.3	Very high	97.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	9%	0.091	C	C	.	.	S	Bend	trans	-82.7	57.4	173.9	-62.7	-172.6	0	0	0	109.9	E314 T352 K355 V490 Y492	E314-L486 HydrophobicContact CB-CD2 4.46Å; E314-L486 HydrophobicContact CG-CD2 3.86Å; T352-L486 HydrophobicContact CG2-CD1 3.91Å; K355-L486 WeakPolarHBondContact CE-O 3.45Å; K355-L486 PolarHBondContact NZ-O 3.06Å; L486-V490 HydrophobicContact CB-CB 4.27Å; L486-V490 HydrophobicContact CB-CG1 4.38Å; L486-V490 HydrophobicContact CD1-CG1 4.47Å; L486-V490 PolarHBondContact N-O 3.16Å; L486-Y492 HydrophobicContact CD1-CE2 3.91Å; L486-Y492 HydrophobicContact CG-CE2 4.25Å
487	G	96.4	Very high	97.9	Very high	4 Å²	4	21 Å²	21	4%	0.041	10%	0.1	C	C	.	.	S	Bend	trans	79.8	-170.3	-165.7	0	0	0	0	0	112.8	D485 D489	D485-G487 PolarHBondContact O-N 3.31Å; G487-D489 VanDerWaalsContact C-N 3.26Å; G487-D489 PolarHBondContact O-N 3.02Å
488	P	97.1	Very high	97.9	Very high	19 Å²	19	14.3 Å²	14.3	12%	0.123	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.8	-168.8	25.3	-32.7	0	0	0	115.3	W196 P517 R518	W196-P488 HydrophobicContact CB-CB 4.42Å; W196-P488 HydrophobicContact CD2-CB 3.93Å; W196-P488 HydrophobicContact CE3-CB 3.84Å; W196-P488 HydrophobicContact CE3-CG 4.35Å; W196-P488 HydrophobicContact CG-CB 4.2Å; W196-P488 HydrophobicContact CZ3-CB 4.4Å; P488-P517 WeakPolarHBondContact O-CB 3.19Å; P488-P517 VanDerWaalsContact O-CD 3.31Å; P488-P517 WeakPolarHBondContact O-CD 3.42Å; P488-R518 HydrophobicContact CB-CB 4.13Å; P488-R518 WeakPolarHBondContact O-CB 3.3Å; P488-R518 PolarHBondContact O-N 2.92Å
489	D	96.7	Very high	98	Very high	82 Å²	82	16 Å²	16	44%	0.439	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-6.1	-162.9	-45.8	-46.5	0	0	0	114	G487 R518	G487-D489 VanDerWaalsContact C-N 3.26Å; G487-D489 PolarHBondContact O-N 3.02Å; D489-R518 IonicContact OD1-CZ 3.94Å; D489-R518 IonicContact OD1-NE 2.67Å; D489-R518 IonicContact OD1-NH2 2.82Å; D489-R518 PolarHBondContact OD1-NH2 3.01Å; D489-R518 IonicContact OD2-NH2 3.74Å
490	V	98.3	Very high	98	Very high	11 Å²	11	17.7 Å²	17.7	7%	0.067	10%	0.101	C	C	.	.			trans	-144.1	117.4	-178.1	177.2	0	0	0	0	110.6	W351 K355 L486 Y492 N580	W351-V490 HydrophobicContact CH2-CG1 3.97Å; W351-V490 HydrophobicContact CH2-CG2 3.81Å; W351-V490 HydrophobicContact CZ3-CG1 3.77Å; W351-V490 HydrophobicContact CZ3-CG2 4.4Å; K355-V490 HydrophobicContact CD-CG2 4.4Å; K355-V490 HydrophobicContact CG-CG2 3.99Å; L486-V490 HydrophobicContact CB-CB 4.27Å; L486-V490 HydrophobicContact CB-CG1 4.38Å; L486-V490 HydrophobicContact CD1-CG1 4.47Å; L486-V490 PolarHBondContact N-O 3.16Å; V490-Y492 HydrophobicContact CG1-CE2 4.02Å; V490-N580 WeakPolarHBondContact CA-OD1 3.46Å
491	G	98.3	Very high	98	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.8	179	0	0	0	0	0	113.7	S484 N580	S484-G491 CarbonylContact O-C 3.58Å; S484-G491 WeakPolarHBondContact O-CA 3.39Å; G491-N580 PolarHBondContact N-OD1 2.92Å; G491-N580 PolarHBondContact O-N 3.18Å
492	Y	98.8	Very high	98	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.008	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142	172.3	-61.1	-75.6	0	0	0	110.2	F310 M340 L344 L348 W351 T352 W483 S484 L486 V490 L578 W579	F310-Y492 HydrophobicContact CE1-CD2 4.19Å; F310-Y492 HydrophobicContact CE1-CG 4.21Å; M340-Y492 HydrophobicContact CE-CD2 4.23Å; M340-Y492 HydrophobicContact CE-CE2 3.93Å; L344-Y492 HydrophobicContact CD1-CE1 4.49Å; L348-Y492 HydrophobicContact CD1-CE1 4.19Å; L348-Y492 HydrophobicContact CD2-CE1 4.11Å; L348-Y492 HydrophobicContact CG-CE1 4.23Å; W351-Y492 WeakPolarHBondContact CZ3-OH 3.33Å; T352-Y492 PolarHBondContact OG1-OH 3.39Å; W483-Y492 CarbonylContact C-O 3.46Å; W483-Y492 WeakPolarHBondContact CA-O 3.45Å; W483-Y492 WeakPolarHBondContact CB-O 3.27Å; S484-Y492 PolarHBondContact N-O 3.18Å; S484-Y492 PolarHBondContact O-N 2.83Å; L486-Y492 HydrophobicContact CD1-CE2 3.91Å; L486-Y492 HydrophobicContact CG-CE2 4.25Å; V490-Y492 HydrophobicContact CG1-CE2 4.02Å; Y492-L578 CarbonylContact C-O 3.59Å; Y492-L578 VanDerWaalsContact CA-O 3.31Å; Y492-L578 WeakPolarHBondContact CA-O 3.49Å; Y492-W579 HydrophobicContact CD1-CB 3.85Å; Y492-W579 AromaticContact CD1-CD1 3.93Å; Y492-W579 HydrophobicContact CD1-CG 4.15Å; Y492-W579 HydrophobicContact CE1-CB 3.8Å; Y492-W579 AromaticContact CE1-CD1 3.34Å; Y492-W579 AromaticContact CE1-CG 3.65Å; Y492-W579 HydrophobicContact CE1-CG 3.65Å; Y492-W579 AromaticContact CZ-CD1 3.89Å
493	E	98.7	Very high	98	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.6	163.9	-52.2	-172.5	175	0	0	110.2	M481 F482 W483 R529 E533 V577 L578 M585	M481-E493 HydrophobicContact CE-CB 4.49Å; M481-E493 HydrophobicContact CE-CG 4.32Å; F482-E493 CarbonylContact O-C 3.43Å; F482-E493 VanDerWaalsContact O-CA 3.25Å; F482-E493 WeakPolarHBondContact O-CA 3.39Å; W483-E493 HydrophobicContact CB-CG 4.23Å; E493-R529 HydrophobicContact CG-CG 4.44Å; E493-R529 WeakPolarHBondContact OE1-CG 3.18Å; E493-E533 WeakPolarHBondContact OE2-CG 3.42Å; E493-V577 CarbonylContact O-C 3.6Å; E493-V577 WeakPolarHBondContact O-CA 3.29Å; E493-L578 HydrophobicContact CB-CB 4.21Å; E493-L578 PolarHBondContact N-O 3.41Å; E493-L578 PolarHBondContact O-N 2.94Å; E493-M585 HydrophobicContact CB-CE 3.65Å; E493-M585 WeakPolarHBondContact OE2-CE 3.38Å
494	A	98.6	Very high	98	Very high	5 Å²	5	27.6 Å²	27.6	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	145.4	-179.5	0	0	0	0	0	112.6	M481 F482 V498 I576 V577	M481-A494 CarbonylContact C-O 3.5Å; M481-A494 WeakPolarHBondContact CA-O 3.47Å; F482-A494 HydrophobicContact CB-CB 4.38Å; F482-A494 HydrophobicContact CD1-CB 4.31Å; F482-A494 PolarHBondContact N-O 2.96Å; F482-A494 PolarHBondContact O-N 3.41Å; A494-V498 HydrophobicContact CB-CG2 4.19Å; A494-I576 WeakPolarHBondContact CA-O 3.34Å; A494-V577 HydrophobicContact CB-CG2 3.95Å
495	I	98.4	Very high	98	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	152.6	179.7	-175.1	162	0	0	0	112.2	Q479 V498 G575 I576 M585 A588 R589 I592	Q479-I495 HydrophobicContact CB-CD1 4.02Å; Q479-I495 WeakPolarHBondContact O-CD1 3.33Å; I495-V498 WeakPolarHBondContact O-CG1 3.35Å; I495-G575 CarbonylContact O-C 3.58Å; I495-G575 WeakPolarHBondContact O-CA 3.3Å; I495-I576 HydrophobicContact CG2-CB 4.02Å; I495-I576 PolarHBondContact N-O 3.11Å; I495-I576 PolarHBondContact O-N 2.95Å; I495-M585 HydrophobicContact CB-CE 4.41Å; I495-M585 HydrophobicContact CB-SD 3.66Å; I495-M585 HydrophobicContact CD1-SD 3.6Å; I495-M585 HydrophobicContact CG1-SD 4.23Å; I495-M585 HydrophobicContact CG2-CE 4.26Å; I495-M585 HydrophobicContact CG2-SD 3.58Å; I495-M585 VanDerWaalsContact CG2-SD 3.58Å; I495-A588 HydrophobicContact CG2-CB 3.91Å; I495-R589 HydrophobicContact CD1-CB 4.29Å; I495-R589 HydrophobicContact CD1-CG 3.3Å; I495-I592 HydrophobicContact CG1-CD1 4.32Å; I495-I592 HydrophobicContact CG2-CD1 3.77Å
496	G	97.8	Very high	97.8	Very high	7 Å²	7	31.6 Å²	31.6	7%	0.072	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.3	-136.8	178.5	0	0	0	0	0	112.6	R450 V574	R450-G496 PolarHBondContact NH2-O 3.1Å; G496-V574 WeakPolarHBondContact CA-O 3.46Å
497	L	97.9	Very high	97.6	Very high	43 Å²	43	32.1 Å²	32.1	23%	0.225	21%	0.205	C	C	.	.			trans	-104.9	102.3	174.5	178.9	64.6	0	0	0	109.8	L447 L502 R569 V574 G575	L447-L497 HydrophobicContact CD1-CB 3.86Å; L447-L497 HydrophobicContact CD2-CB 3.9Å; L447-L497 HydrophobicContact CD2-CD2 4.44Å; L497-L502 HydrophobicContact CD2-CD1 3.92Å; L497-L502 HydrophobicContact CG-CD1 3.98Å; L497-R569 VanDerWaalsContact CD2-NH2 3.3Å; L497-V574 HydrophobicContact CB-CG2 4.33Å; L497-V574 HydrophobicContact CD2-CG2 4.39Å; L497-V574 PolarHBondContact N-O 3.48Å; L497-G575 WeakPolarHBondContact O-CA 3.26Å
498	V	98.1	Very high	97.5	Very high	28 Å²	28	33.9 Å²	33.9	17%	0.17	21%	0.211	C	C	.	.			trans	-111.9	102.5	-179.2	-67.9	0	0	0	0	109.3	I343 A494 I495 Y567 V577	I343-V498 VanDerWaalsContact CD1-O 3.28Å; I343-V498 WeakPolarHBondContact CD1-O 3.49Å; I343-V498 HydrophobicContact CG2-CB 3.9Å; I343-V498 HydrophobicContact CG2-CG2 3.78Å; A494-V498 HydrophobicContact CB-CG2 4.19Å; I495-V498 WeakPolarHBondContact O-CG1 3.35Å; V498-Y567 HydrophobicContact CB-CD2 4.39Å; V498-Y567 HydrophobicContact CB-CE1 4.3Å; V498-Y567 HydrophobicContact CB-CE2 4.15Å; V498-Y567 HydrophobicContact CG1-CD2 3.83Å; V498-Y567 HydrophobicContact CG1-CE2 3.77Å; V498-Y567 HydrophobicContact CG1-CG 4.37Å; V498-V577 HydrophobicContact CB-CG2 4.11Å; V498-V577 HydrophobicContact CG1-CG2 3.8Å
499	D	98	Very high	97.1	Very high	63 Å²	63	33.6 Å²	33.6	34%	0.337	21%	0.21	S	C	.	.			trans	-143.2	124.9	-175.3	-175.7	-49.3	0	0	0	108.7	S501 L502 Y567	D499-S501 PolarHBondContact O-N 3.43Å; D499-S501 VanDerWaalsContact O-N 3.12Å; D499-S501 VanDerWaalsContact OD1-CB 3.29Å; D499-S501 WeakPolarHBondContact OD1-CB 3.37Å; D499-S501 PolarHBondContact OD1-N 2.97Å; D499-S501 PolarHBondContact OD1-OG 3.35Å; D499-L502 HydrophobicContact CB-CD1 4.26Å; D499-L502 HydrophobicContact CB-CG 4.27Å; D499-L502 WeakPolarHBondContact O-CB 3.27Å; D499-L502 PolarHBondContact O-N 2.92Å; D499-L502 VanDerWaalsContact O-N 3.11Å; D499-Y567 WeakPolarHBondContact O-CD1 3.36Å
500	S	97.8	Very high	96.8	Very high	45 Å²	45	33.1 Å²	33.1	32%	0.315	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-2.8	-173.6	64.5	0	0	0	0	114.3	G341 K342 I343	G341-S500 PolarHBondContact O-OG 2.87Å; K342-S500 VanDerWaalsContact CA-OG 3.28Å; K342-S500 WeakPolarHBondContact CA-OG 3.25Å; K342-S500 PolarHBondContact O-N 3.37Å; K342-S500 PolarHBondContact O-OG 3.45Å; I343-S500 WeakPolarHBondContact O-CB 3.24Å; I343-S500 PolarHBondContact O-N 3.39Å
501	S	97.9	Very high	96.4	Very high	99 Å²	99	34.8 Å²	34.8	69%	0.692	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-11.9	171.3	69.2	0	0	0	0	113.7	D499	D499-S501 PolarHBondContact O-N 3.43Å; D499-S501 VanDerWaalsContact O-N 3.12Å; D499-S501 VanDerWaalsContact OD1-CB 3.29Å; D499-S501 WeakPolarHBondContact OD1-CB 3.37Å; D499-S501 PolarHBondContact OD1-N 2.97Å; D499-S501 PolarHBondContact OD1-OG 3.35Å
502	L	98.3	Very high	96	Very high	29 Å²	29	37.2 Å²	37.2	15%	0.152	23%	0.234	C	C	.	.	S	Bend	trans	-76.6	155.3	172.9	-63.1	175.5	0	0	0	111.2	L497 D499 T504 R569 V574	L497-L502 HydrophobicContact CD2-CD1 3.92Å; L497-L502 HydrophobicContact CG-CD1 3.98Å; D499-L502 HydrophobicContact CB-CD1 4.26Å; D499-L502 HydrophobicContact CB-CG 4.27Å; D499-L502 WeakPolarHBondContact O-CB 3.27Å; D499-L502 PolarHBondContact O-N 2.92Å; D499-L502 VanDerWaalsContact O-N 3.11Å; L502-T504 PolarHBondContact O-N 3.01Å; L502-R569 HydrophobicContact CD2-CG 4.48Å; L502-V574 HydrophobicContact CD1-CG2 4.12Å
503	P	98.2	Very high	95.6	Very high	89 Å²	89	41.4 Å²	41.4	58%	0.578	27%	0.269	S	S	*	.			trans	-58.8	128.8	164.2	-19.6	32	0	0	0	110.3	L568	P503-L568 HydrophobicContact CB-CB 4.49Å; P503-L568 WeakPolarHBondContact O-CB 3.26Å; P503-L568 PolarHBondContact O-N 2.99Å
504	T	98	Very high	95.2	Very high	48 Å²	48	48.1 Å²	48.1	29%	0.294	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	142.8	179	61.3	0	0	0	0	112.5	P345 L502 V565 F566 Y567	P345-T504 HydrophobicContact CG-CG2 3.98Å; P345-T504 WeakPolarHBondContact CG-OG1 3.39Å; L502-T504 PolarHBondContact O-N 3.01Å; T504-V565 HydrophobicContact CG2-CG1 4.26Å; T504-F566 CarbonylContact C-O 3.59Å; T504-F566 WeakPolarHBondContact CA-O 3.49Å; T504-Y567 HydrophobicContact CG2-CD1 3.43Å; T504-Y567 VanDerWaalsContact CG2-CD1 3.43Å; T504-Y567 HydrophobicContact CG2-CE1 3.65Å; T504-Y567 HydrophobicContact CG2-CG 3.96Å
505	V	97.5	Very high	95	Very high	53 Å²	53	49 Å²	49	32%	0.321	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.2	165.5	175.9	0	0	0	0	108.2	V507 V565 F566 L568 L601	V505-V507 HydrophobicContact CG1-CG2 4.23Å; V505-V565 WeakPolarHBondContact O-CA 3.01Å; V505-F566 PolarHBondContact N-O 2.98Å; V505-F566 PolarHBondContact O-N 3.37Å; V505-L568 HydrophobicContact CG2-CD1 4.03Å; V505-L601 HydrophobicContact CB-CD1 3.87Å; V505-L601 HydrophobicContact CG1-CB 4.13Å; V505-L601 HydrophobicContact CG1-CD1 4.34Å; V505-L601 HydrophobicContact CG2-CD1 3.92Å
506	G	95.6	Very high	94.9	Very high	33 Å²	33	50 Å²	50	34%	0.34	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128	174.9	0	0	0	0	0	110.6	V564	G506-V564 CarbonylContact C-O 3.52Å; G506-V564 WeakPolarHBondContact CA-O 3.5Å
507	V	94.5	Very high	94.8	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.7	175.5	-161.5	0	0	0	0	107.8	V505 G563 V564 F566 A605 I610	V505-V507 HydrophobicContact CG1-CG2 4.23Å; V507-G563 CarbonylContact O-C 3.19Å; V507-G563 WeakPolarHBondContact O-CA 3.34Å; V507-V564 HydrophobicContact CB-CG1 4.22Å; V507-V564 PolarHBondContact N-O 3.25Å; V507-V564 PolarHBondContact O-N 3.07Å; V507-F566 HydrophobicContact CG2-CE2 4.38Å; V507-A605 HydrophobicContact CB-CB 3.72Å; V507-A605 HydrophobicContact CG1-CB 3.83Å; V507-A605 HydrophobicContact CG2-CB 3.82Å; V507-I610 HydrophobicContact CG1-CG2 3.9Å
508	F	92.7	Very high	94.8	Very high	42 Å²	42	52.4 Å²	52.4	18%	0.184	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152.6	-165.8	-57.2	-79	0	0	0	111.3	Y347 Y560 K562 V565 W579	Y347-F508 HydrophobicContact CD1-CD2 4.42Å; Y347-F508 HydrophobicContact CD1-CE1 4.12Å; Y347-F508 AromaticContact CD1-CE2 3.92Å; Y347-F508 HydrophobicContact CD1-CE2 3.92Å; Y347-F508 AromaticContact CD1-CZ 3.76Å; Y347-F508 HydrophobicContact CD1-CZ 3.76Å; Y347-F508 HydrophobicContact CE1-CD1 4.24Å; Y347-F508 HydrophobicContact CE1-CD2 4.43Å; Y347-F508 HydrophobicContact CE1-CE1 4.17Å; Y347-F508 HydrophobicContact CE1-CE2 4.35Å; Y347-F508 HydrophobicContact CE1-CG 4.38Å; Y347-F508 HydrophobicContact CE1-CZ 4.23Å; F508-Y560 VanDerWaalsContact C-CD1 3.47Å; F508-Y560 HydrophobicContact CB-CD1 3.42Å; F508-Y560 VanDerWaalsContact CB-CD1 3.42Å; F508-Y560 HydrophobicContact CB-CD2 4.11Å; F508-Y560 HydrophobicContact CB-CE1 3.67Å; F508-Y560 HydrophobicContact CB-CE2 4.35Å; F508-Y560 HydrophobicContact CB-CG 3.64Å; F508-Y560 VanDerWaalsContact O-CE1 3.26Å; F508-Y560 WeakPolarHBondContact O-CE1 3.32Å; F508-K562 WeakPolarHBondContact CA-O 3.2Å; F508-V565 HydrophobicContact CE1-CG2 4.17Å; F508-V565 HydrophobicContact CZ-CG2 3.99Å; F508-W579 AromaticContact CD1-CE3 3.78Å; F508-W579 HydrophobicContact CD1-CE3 3.78Å; F508-W579 AromaticContact CD1-CZ3 3.68Å; F508-W579 HydrophobicContact CD1-CZ3 3.68Å; F508-W579 HydrophobicContact CE1-CE3 4.02Å; F508-W579 HydrophobicContact CE1-CZ3 4.17Å
509	A	90.2	Very high	94.7	Very high	12 Å²	12	52.3 Å²	52.3	10%	0.099	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	173.4	178.6	0	0	0	0	0	111.8	G561 K562 I610	A509-G561 PolarHBondContact O-N 3.31Å; A509-K562 HydrophobicContact CB-CG 4.16Å; A509-K562 PolarHBondContact N-O 3.02Å; A509-K562 PolarHBondContact O-N 3.21Å; A509-K562 VanDerWaalsContact O-N 3.09Å; A509-I610 HydrophobicContact CB-CG2 4.06Å; A509-I610 WeakPolarHBondContact CB-O 3.46Å
510	K	89.5	Confident	94.5	Very high	72 Å²	72	49.5 Å²	49.5	31%	0.313	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-65.5	146.8	165.5	-61.2	-175.6	-175.2	-173.8	0	109.2	E558 K562	K510-E558 WeakPolarHBondContact CE-OE1 3.48Å; K510-E558 WeakPolarHBondContact CE-OE2 3.43Å; K510-E558 IonicContact NZ-OE1 3.62Å; K510-E558 PolarHBondContact NZ-OE1 3.37Å; K510-E558 IonicContact NZ-OE2 3.39Å; K510-E558 PolarHBondContact NZ-OE2 3.21Å; K510-K562 VanDerWaalsContact O-CE 3.32Å; K510-K562 WeakPolarHBondContact O-CE 3.35Å
511	A	89.7	Confident	94.4	Very high	46 Å²	46	47.4 Å²	47.4	38%	0.38	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-83.3	136.1	170.3	0	0	0	0	0	109.9	D515	A511-D515 HydrophobicContact CB-CB 3.96Å
512	T	89.6	Confident	94.3	Very high	52 Å²	52	47.6 Å²	47.6	32%	0.319	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-78.7	173.2	164.9	73.1	0	0	0	0	110.1	Q514 D515	T512-Q514 PolarHBondContact O-N 2.93Å; T512-Q514 VanDerWaalsContact O-N 3.08Å; T512-Q514 PolarHBondContact OG1-N 3.09Å; T512-D515 WeakPolarHBondContact CA-OD2 3.34Å; T512-D515 VanDerWaalsContact CB-OD2 3.26Å; T512-D515 WeakPolarHBondContact CB-OD2 3.41Å; T512-D515 WeakPolarHBondContact CG2-OD2 3.36Å; T512-D515 PolarHBondContact N-OD2 3.4Å; T512-D515 PolarHBondContact O-N 3.33Å; T512-D515 PolarHBondContact OG1-OD2 3.35Å
513	A	89.9	Confident	94.1	Very high	89 Å²	89	52.7 Å²	52.7	74%	0.736	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-12.2	173.4	0	0	0	0	0	114.5	N516 S519	A513-N516 PolarHBondContact O-ND2 3.23Å; A513-S519 PolarHBondContact O-OG 3.35Å
514	Q	90.9	Very high	93.8	Very high	143 Å²	143	50.6 Å²	50.6	67%	0.668	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-16.3	179.2	-57.5	-175.3	29	0	0	113.3	T512 N516 S519	T512-Q514 PolarHBondContact O-N 2.93Å; T512-Q514 VanDerWaalsContact O-N 3.08Å; T512-Q514 PolarHBondContact OG1-N 3.09Å; Q514-N516 PolarHBondContact O-N 3.19Å; Q514-S519 WeakPolarHBondContact O-CB 3.44Å
515	D	93.9	Very high	93.7	Very high	23 Å²	23	49.4 Å²	49.4	12%	0.123	28%	0.283	C	S	.	.	S	Bend	trans	-81.9	58	-171.8	-67.9	-57.5	0	0	0	111.9	A511 T512 K562 N580	A511-D515 HydrophobicContact CB-CB 3.96Å; T512-D515 WeakPolarHBondContact CA-OD2 3.34Å; T512-D515 VanDerWaalsContact CB-OD2 3.26Å; T512-D515 WeakPolarHBondContact CB-OD2 3.41Å; T512-D515 WeakPolarHBondContact CG2-OD2 3.36Å; T512-D515 PolarHBondContact N-OD2 3.4Å; T512-D515 PolarHBondContact O-N 3.33Å; T512-D515 PolarHBondContact OG1-OD2 3.35Å; D515-K562 HydrophobicContact CB-CD 4.03Å; D515-K562 VanDerWaalsContact CG-NZ 3.32Å; D515-K562 IonicContact OD1-NZ 3.37Å; D515-K562 PolarHBondContact OD1-NZ 3.41Å; D515-K562 WeakPolarHBondContact OD2-CD 3.45Å; D515-K562 WeakPolarHBondContact OD2-CE 3.42Å; D515-K562 IonicContact OD2-NZ 2.83Å; D515-K562 PolarHBondContact OD2-NZ 3.2Å; D515-N580 WeakPolarHBondContact CB-O 3.26Å; D515-N580 VanDerWaalsContact O-CB 3.29Å; D515-N580 WeakPolarHBondContact O-CB 3.4Å; D515-N580 VanDerWaalsContact O-CG 3.26Å
516	N	96.1	Very high	93.5	Very high	23 Å²	23	47.5 Å²	47.5	12%	0.123	27%	0.272	C	S	.	.	S	Bend	trans	-153.2	156.9	-179.7	67.4	83.6	0	0	0	113.2	A513 Q514 R518 S519 A520 F582	A513-N516 PolarHBondContact O-ND2 3.23Å; Q514-N516 PolarHBondContact O-N 3.19Å; N516-R518 VanDerWaalsContact C-N 3.26Å; N516-R518 PolarHBondContact O-N 3.42Å; N516-R518 WeakPolarHBondContact OD1-CA 3.24Å; N516-R518 VanDerWaalsContact OD1-CB 3.22Å; N516-R518 WeakPolarHBondContact OD1-CB 3.45Å; N516-R518 PolarHBondContact OD1-N 3.17Å; N516-S519 PolarHBondContact ND2-OG 3.18Å; N516-S519 PolarHBondContact O-N 3.2Å; N516-S519 PolarHBondContact OD1-N 2.79Å; N516-S519 PolarHBondContact OD1-OG 3.14Å; N516-A520 PolarHBondContact O-N 2.9Å; N516-A520 VanDerWaalsContact O-N 3.11Å; N516-F582 VanDerWaalsContact C-CE2 3.43Å
517	P	97.2	Very high	93.3	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-54.7	-31.9	179	-28.9	34.7	0	0	0	115.9	D485 P488 T521 R529 F582	D485-P517 HydrophobicContact CB-CB 4.44Å; D485-P517 HydrophobicContact CB-CG 4.43Å; P488-P517 WeakPolarHBondContact O-CB 3.19Å; P488-P517 VanDerWaalsContact O-CD 3.31Å; P488-P517 WeakPolarHBondContact O-CD 3.42Å; P517-T521 VanDerWaalsContact O-CB 3.25Å; P517-T521 WeakPolarHBondContact O-CB 3.43Å; P517-T521 PolarHBondContact O-N 2.85Å; P517-T521 PolarHBondContact O-OG1 2.68Å; P517-R529 PolarHBondContact O-NH2 3.08Å; P517-F582 HydrophobicContact CG-CZ 4.11Å
518	R	96.8	Very high	93.3	Very high	101 Å²	101	45.6 Å²	45.6	38%	0.381	25%	0.253	S	S	.	.	H	α-helix	trans	-69	-53.9	179.9	-169.2	-164.4	-46.4	-159.4	3.3	110.8	W196 P488 D489 N516 A520 T521 E522	W196-R518 HydrophobicContact CB-CB 4.07Å; W196-R518 HydrophobicContact CB-CG 3.99Å; P488-R518 HydrophobicContact CB-CB 4.13Å; P488-R518 WeakPolarHBondContact O-CB 3.3Å; P488-R518 PolarHBondContact O-N 2.92Å; D489-R518 IonicContact OD1-CZ 3.94Å; D489-R518 IonicContact OD1-NE 2.67Å; D489-R518 IonicContact OD1-NH2 2.82Å; D489-R518 PolarHBondContact OD1-NH2 3.01Å; D489-R518 IonicContact OD2-NH2 3.74Å; N516-R518 VanDerWaalsContact C-N 3.26Å; N516-R518 PolarHBondContact O-N 3.42Å; N516-R518 WeakPolarHBondContact OD1-CA 3.24Å; N516-R518 VanDerWaalsContact OD1-CB 3.22Å; N516-R518 WeakPolarHBondContact OD1-CB 3.45Å; N516-R518 PolarHBondContact OD1-N 3.17Å; R518-A520 VanDerWaalsContact C-N 3.33Å; R518-A520 PolarHBondContact O-N 2.82Å; R518-T521 CarbonylContact O-C 3.58Å; R518-T521 WeakPolarHBondContact O-CA 3.36Å; R518-T521 WeakPolarHBondContact O-CB 3.3Å; R518-T521 PolarHBondContact O-N 2.74Å; R518-E522 WeakPolarHBondContact CG-OE1 3.36Å; R518-E522 WeakPolarHBondContact O-CG 3.37Å; R518-E522 PolarHBondContact O-N 3.24Å
519	S	95.7	Very high	93.3	Very high	26 Å²	26	43.6 Å²	43.6	18%	0.182	25%	0.245	C	C	.	.	H	α-helix	trans	-62.2	-39.4	179.1	-60	0	0	0	0	112.1	A513 Q514 N516 T521 E522 Q523	A513-S519 PolarHBondContact O-OG 3.35Å; Q514-S519 WeakPolarHBondContact O-CB 3.44Å; N516-S519 PolarHBondContact ND2-OG 3.18Å; N516-S519 PolarHBondContact O-N 3.2Å; N516-S519 PolarHBondContact OD1-N 2.79Å; N516-S519 PolarHBondContact OD1-OG 3.14Å; S519-T521 VanDerWaalsContact C-N 3.32Å; S519-T521 PolarHBondContact O-N 2.8Å; S519-E522 PolarHBondContact O-N 3.29Å; S519-Q523 WeakPolarHBondContact O-CB 3.32Å; S519-Q523 PolarHBondContact O-N 2.96Å
520	A	94.7	Very high	93.2	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-36.9	171.9	0	0	0	0	0	112.8	N516 R518 S524 F582	N516-A520 PolarHBondContact O-N 2.9Å; N516-A520 VanDerWaalsContact O-N 3.11Å; R518-A520 VanDerWaalsContact C-N 3.33Å; R518-A520 PolarHBondContact O-N 2.82Å; A520-S524 WeakPolarHBondContact O-CB 3.44Å; A520-S524 PolarHBondContact O-N 2.84Å; A520-S524 VanDerWaalsContact O-N 3.11Å; A520-S524 PolarHBondContact O-OG 2.98Å; A520-F582 HydrophobicContact CB-CB 3.92Å; A520-F582 HydrophobicContact CB-CD1 4.12Å; A520-F582 HydrophobicContact CB-CD2 3.9Å; A520-F582 HydrophobicContact CB-CE2 4.49Å; A520-F582 HydrophobicContact CB-CG 3.7Å
521	T	95.5	Very high	93.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-76.4	-28.3	174.9	-67.2	0	0	0	0	112.9	Q195 W196 N197 P517 R518 S519 G525 T526 R529	Q195-T521 HydrophobicContact CB-CG2 4.05Å; W196-T521 HydrophobicContact CB-CG2 4.08Å; N197-T521 HydrophobicContact CB-CG2 4.04Å; N197-T521 PolarHBondContact ND2-O 3.09Å; P517-T521 VanDerWaalsContact O-CB 3.25Å; P517-T521 WeakPolarHBondContact O-CB 3.43Å; P517-T521 PolarHBondContact O-N 2.85Å; P517-T521 PolarHBondContact O-OG1 2.68Å; R518-T521 CarbonylContact O-C 3.58Å; R518-T521 WeakPolarHBondContact O-CA 3.36Å; R518-T521 WeakPolarHBondContact O-CB 3.3Å; R518-T521 PolarHBondContact O-N 2.74Å; S519-T521 VanDerWaalsContact C-N 3.32Å; S519-T521 PolarHBondContact O-N 2.8Å; T521-G525 CarbonylContact O-C 3.57Å; T521-G525 WeakPolarHBondContact O-CA 3.24Å; T521-G525 PolarHBondContact O-N 3.17Å; T521-T526 PolarHBondContact OG1-O 2.85Å; T521-R529 PolarHBondContact OG1-NH1 3.14Å; T521-R529 PolarHBondContact OG1-NH2 3.23Å
522	E	95.2	Very high	93.2	Very high	103 Å²	103	43.1 Å²	43.1	48%	0.481	24%	0.237	S	C	.	.	H	α-helix	trans	-69.5	-47.1	172.8	-73.6	165.4	169.9	0	0	110.9	N197 R518 S519	N197-E522 HydrophobicContact CB-CB 4.29Å; N197-E522 HydrophobicContact CB-CG 3.57Å; R518-E522 WeakPolarHBondContact CG-OE1 3.36Å; R518-E522 WeakPolarHBondContact O-CG 3.37Å; R518-E522 PolarHBondContact O-N 3.24Å; S519-E522 PolarHBondContact O-N 3.29Å
523	Q	93.9	Very high	93.3	Very high	137 Å²	137	40.8 Å²	40.8	64%	0.64	22%	0.222	S	C	*	.	H	α-helix	trans	-63.7	-49.9	177.9	-174	-174.6	28.1	0	0	112.7	S519 N583	S519-Q523 WeakPolarHBondContact O-CB 3.32Å; S519-Q523 PolarHBondContact O-N 2.96Å; Q523-N583 PolarHBondContact OE1-ND2 3.43Å
524	S	93.3	Very high	93.2	Very high	44 Å²	44	39.5 Å²	39.5	31%	0.308	21%	0.205	S	C	.	.	H	α-helix	trans	-84.1	-18.7	-176.8	64.8	0	0	0	0	114.2	A520 T526	A520-S524 WeakPolarHBondContact O-CB 3.44Å; A520-S524 PolarHBondContact O-N 2.84Å; A520-S524 VanDerWaalsContact O-N 3.11Å; A520-S524 PolarHBondContact O-OG 2.98Å; S524-T526 VanDerWaalsContact C-N 3.26Å; S524-T526 PolarHBondContact O-N 2.95Å; S524-T526 PolarHBondContact OG-N 3.08Å; S524-T526 PolarHBondContact OG-O 2.77Å
525	G	94.9	Very high	93	Very high	24 Å²	24	36 Å²	36	25%	0.247	19%	0.189	C	C	.	.	S	Bend	trans	79.1	-6.4	-172.2	0	0	0	0	0	115.5	Q195 N197 T521	Q195-G525 PolarHBondContact NE2-O 2.76Å; Q195-G525 VanDerWaalsContact NE2-O 3.09Å; N197-G525 PolarHBondContact ND2-O 3.38Å; T521-G525 CarbonylContact O-C 3.57Å; T521-G525 WeakPolarHBondContact O-CA 3.24Å; T521-G525 PolarHBondContact O-N 3.17Å
526	T	92.6	Very high	92.6	Very high	13 Å²	13	38 Å²	38	8%	0.08	21%	0.205	C	C	.	.			trans	-128.8	140.7	-173.1	-176.6	0	0	0	0	113.6	R201 T521 S524 I528 E531	R201-T526 PolarHBondContact NH1-OG1 2.97Å; T521-T526 PolarHBondContact OG1-O 2.85Å; S524-T526 VanDerWaalsContact C-N 3.26Å; S524-T526 PolarHBondContact O-N 2.95Å; S524-T526 PolarHBondContact OG-N 3.08Å; S524-T526 PolarHBondContact OG-O 2.77Å; T526-I528 PolarHBondContact OG1-N 3.25Å; T526-I528 VanDerWaalsContact OG1-N 3.13Å; T526-E531 WeakPolarHBondContact CB-OE2 3.39Å; T526-E531 HydrophobicContact CG2-CB 3.93Å; T526-E531 PolarHBondContact OG1-OE2 3.42Å
527	G	91.8	Very high	92.1	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	22%	0.215	C	C	.	.	S	Bend	trans	-86.8	-7.7	169.7	0	0	0	0	0	114.4	R529	G527-R529 PolarHBondContact O-N 3.39Å
528	I	94.3	Very high	91.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.222	C	C	.	.			trans	-87.3	92	178.1	-56.4	-56.4	0	0	0	107.6	M171 P173 W483 T526 S530 E531	M171-I528 HydrophobicContact SD-CD1 3.87Å; M171-I528 HydrophobicContact SD-CG1 4.17Å; P173-I528 HydrophobicContact CB-CD1 4.43Å; W483-I528 HydrophobicContact CH2-CB 4.48Å; W483-I528 HydrophobicContact CH2-CG2 3.69Å; W483-I528 HydrophobicContact CZ2-CB 4.39Å; W483-I528 HydrophobicContact CZ2-CD1 4.15Å; W483-I528 HydrophobicContact CZ2-CG2 4.08Å; T526-I528 PolarHBondContact OG1-N 3.25Å; T526-I528 VanDerWaalsContact OG1-N 3.13Å; I528-S530 PolarHBondContact O-N 2.92Å; I528-S530 VanDerWaalsContact O-N 3.12Å; I528-E531 HydrophobicContact CB-CG 4.01Å; I528-E531 HydrophobicContact CG2-CG 3.75Å; I528-E531 WeakPolarHBondContact O-CA 3.15Å; I528-E531 VanDerWaalsContact O-CB 3.26Å; I528-E531 WeakPolarHBondContact O-CB 3.25Å; I528-E531 PolarHBondContact O-N 2.58Å
529	R	93.6	Very high	90.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-29.3	-165.9	-147.6	66.1	61.3	-158.6	2.7	114.5	M481 W483 D485 E493 P517 T521 G527 E531 S532 E533 F582	M481-R529 HydrophobicContact CE-CB 4.45Å; W483-R529 HydrophobicContact CB-CB 3.82Å; W483-R529 HydrophobicContact CB-CG 4.25Å; W483-R529 HydrophobicContact CD2-CB 3.51Å; W483-R529 HydrophobicContact CE3-CB 4.06Å; W483-R529 HydrophobicContact CG-CB 3.35Å; W483-R529 HydrophobicContact CG-CG 4.22Å; D485-R529 IonicContact OD1-NH2 3.01Å; D485-R529 IonicContact OD2-CZ 2.64Å; D485-R529 IonicContact OD2-NH2 3.23Å; D485-R529 PolarHBondContact OD2-NH2 3.11Å; E493-R529 HydrophobicContact CG-CG 4.44Å; E493-R529 WeakPolarHBondContact OE1-CG 3.18Å; P517-R529 PolarHBondContact O-NH2 3.08Å; T521-R529 PolarHBondContact OG1-NH1 3.14Å; T521-R529 PolarHBondContact OG1-NH2 3.23Å; G527-R529 PolarHBondContact O-N 3.39Å; R529-E531 PolarHBondContact O-N 3.39Å; R529-S532 PolarHBondContact O-N 3.07Å; R529-S532 VanDerWaalsContact O-N 3.12Å; R529-S532 PolarHBondContact O-OG 2.93Å; R529-E533 HydrophobicContact CG-CG 4.39Å; R529-E533 WeakPolarHBondContact O-CB 3.21Å; R529-E533 WeakPolarHBondContact O-CG 3.46Å; R529-E533 PolarHBondContact O-N 3.03Å; R529-F582 HydrophobicContact CG-CD1 4.49Å
530	S	88.9	Confident	89.9	Confident	10 Å²	10	48.2 Å²	48.2	7%	0.07	27%	0.269	C	S	.	.	H	α-helix	trans	-69	-15.5	172.6	61.5	0	0	0	0	114.8	W483 I528	W483-S530 WeakPolarHBondContact CZ3-OG 3.39Å; I528-S530 PolarHBondContact O-N 2.92Å; I528-S530 VanDerWaalsContact O-N 3.12Å
531	E	89.7	Confident	89.3	Confident	92 Å²	92	50.6 Å²	50.6	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-78.4	-37.8	168	-63.9	171.9	172.9	0	0	110.9	R201 T526 I528 R529	R201-E531 IonicContact CZ-OE1 2.76Å; R201-E531 IonicContact CZ-OE2 3.17Å; R201-E531 IonicContact NH1-OE1 3.34Å; R201-E531 IonicContact NH1-OE2 2.68Å; R201-E531 PolarHBondContact NH1-OE2 3.22Å; R201-E531 IonicContact NH2-OE1 2.75Å; R201-E531 PolarHBondContact NH2-OE1 3.48Å; R201-E531 IonicContact NH2-OE2 2.67Å; R201-E531 PolarHBondContact NH2-OE2 3Å; T526-E531 WeakPolarHBondContact CB-OE2 3.39Å; T526-E531 HydrophobicContact CG2-CB 3.93Å; T526-E531 PolarHBondContact OG1-OE2 3.42Å; I528-E531 HydrophobicContact CB-CG 4.01Å; I528-E531 HydrophobicContact CG2-CG 3.75Å; I528-E531 WeakPolarHBondContact O-CA 3.15Å; I528-E531 VanDerWaalsContact O-CB 3.26Å; I528-E531 WeakPolarHBondContact O-CB 3.25Å; I528-E531 PolarHBondContact O-N 2.58Å; R529-E531 PolarHBondContact O-N 3.39Å
532	S	88.4	Confident	88.7	Confident	19 Å²	19	54.6 Å²	54.6	13%	0.133	31%	0.314	C	S	.	.	H	α-helix	trans	-79.9	-42.4	-177.9	60	0	0	0	0	113.6	R529 T534	R529-S532 PolarHBondContact O-N 3.07Å; R529-S532 VanDerWaalsContact O-N 3.12Å; R529-S532 PolarHBondContact O-OG 2.93Å; S532-T534 PolarHBondContact O-N 3.38Å; S532-T534 VanDerWaalsContact O-N 3.14Å
533	E	91.1	Very high	87.9	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.009	31%	0.309	C	S	.	.	S	Bend	trans	-66.5	-12.2	176.5	-73.3	-42	102.2	0	0	113.7	M481 E493 R529 N583 R584 M585 P586	M481-E533 HydrophobicContact CE-CB 4.24Å; M481-E533 HydrophobicContact CE-CG 3.74Å; M481-E533 HydrophobicContact SD-CB 3.72Å; M481-E533 HydrophobicContact SD-CG 3.91Å; E493-E533 WeakPolarHBondContact OE2-CG 3.42Å; R529-E533 HydrophobicContact CG-CG 4.39Å; R529-E533 WeakPolarHBondContact O-CB 3.21Å; R529-E533 WeakPolarHBondContact O-CG 3.46Å; R529-E533 PolarHBondContact O-N 3.03Å; E533-N583 VanDerWaalsContact CD-N 3.32Å; E533-N583 VanDerWaalsContact OE1-CA 3.22Å; E533-N583 WeakPolarHBondContact OE1-CA 3.36Å; E533-N583 PolarHBondContact OE1-N 2.99Å; E533-N583 VanDerWaalsContact OE2-CA 3.27Å; E533-N583 WeakPolarHBondContact OE2-CA 3.42Å; E533-N583 PolarHBondContact OE2-N 3.38Å; E533-R584 PolarHBondContact OE2-N 2.9Å; E533-M585 HydrophobicContact CB-CB 3.8Å; E533-M585 HydrophobicContact CB-CG 4.46Å; E533-M585 HydrophobicContact CG-CB 3.72Å; E533-M585 VanDerWaalsContact OE2-CB 3.29Å; E533-M585 WeakPolarHBondContact OE2-CB 3.36Å; E533-M585 PolarHBondContact OE2-N 3.26Å; E533-P586 WeakPolarHBondContact O-CG 3.35Å
534	T	88.9	Confident	87.1	Confident	62 Å²	62	49.7 Å²	49.7	38%	0.38	30%	0.297	S	S	.	.			trans	58	177.5	-167.9	81.2	0	0	0	0	113.1	S532 S536 R589	S532-T534 PolarHBondContact O-N 3.38Å; S532-T534 VanDerWaalsContact O-N 3.14Å; T534-S536 PolarHBondContact OG1-N 3.09Å; T534-S536 PolarHBondContact OG1-OG 3.14Å; T534-S536 VanDerWaalsContact OG1-OG 3.06Å; T534-R589 VanDerWaalsContact O-CZ 3.31Å; T534-R589 PolarHBondContact O-NH1 2.89Å; T534-R589 PolarHBondContact O-NH2 3.07Å
535	E	87.4	Confident	85.9	Confident	71 Å²	71	53.1 Å²	53.1	33%	0.332	32%	0.319	S	S	.	.	S	Bend	trans	-97.6	-1.4	176.7	-59.6	174.5	172.6	0	0	112.6	V460 R463	V460-E535 HydrophobicContact CG2-CG 4.14Å; V460-E535 WeakPolarHBondContact CG2-OE1 3.28Å; R463-E535 IonicContact CZ-OE1 2.78Å; R463-E535 IonicContact CZ-OE2 3.64Å; R463-E535 VanDerWaalsContact NH1-CD 3.3Å; R463-E535 IonicContact NH1-OE1 3.57Å; R463-E535 PolarHBondContact NH1-OE1 3.31Å; R463-E535 IonicContact NH1-OE2 3.62Å; R463-E535 PolarHBondContact NH1-OE2 3.12Å; R463-E535 IonicContact NH2-OE1 3.4Å; R463-E535 IonicContact NH2-OE2 2.73Å; R463-E535 PolarHBondContact NH2-OE2 2.87Å
536	S	84.8	Confident	84	Confident	65 Å²	65	56.4 Å²	56.4	46%	0.455	34%	0.338	S	S	.	.			trans	-86.2	170.8	-172.9	71.8	0	0	0	0	113.7	T534 P586 R589	T534-S536 PolarHBondContact OG1-N 3.09Å; T534-S536 PolarHBondContact OG1-OG 3.14Å; T534-S536 VanDerWaalsContact OG1-OG 3.06Å; S536-P586 WeakPolarHBondContact O-CA 3.42Å; S536-P586 WeakPolarHBondContact O-CB 3.44Å; S536-R589 WeakPolarHBondContact O-CD 3.48Å; S536-R589 PolarHBondContact O-NH1 3.03Å
537	E	85.3	Confident	82	Confident	69 Å²	69	61.3 Å²	61.3	32%	0.322	37%	0.368	S	S	.	.			trans	-109	153.5	173.3	-55.6	163.2	-172.6	0	0	108.6	S539 R589 K593	E537-S539 PolarHBondContact O-N 2.85Å; E537-R589 HydrophobicContact CG-CB 4.06Å; E537-K593 VanDerWaalsContact OE1-CD 3.28Å; E537-K593 WeakPolarHBondContact OE1-CD 3.4Å; E537-K593 IonicContact OE1-NZ 2.74Å; E537-K593 PolarHBondContact OE1-NZ 3.38Å; E537-K593 WeakPolarHBondContact OE2-CD 3.42Å; E537-K593 WeakPolarHBondContact OE2-CE 3.4Å; E537-K593 IonicContact OE2-NZ 2.75Å; E537-K593 PolarHBondContact OE2-NZ 3.22Å
538	A	80.1	Confident	79.6	Confident	18 Å²	18	67.1 Å²	67.1	15%	0.149	41%	0.406	C	S	.	.			trans	-64.8	131.7	169.8	0	0	0	0	0	110	I541 P586 I587 K590	A538-I541 HydrophobicContact CB-CG1 4.22Å; A538-P586 PolarHBondContact N-O 3.49Å; A538-I587 HydrophobicContact CB-CG1 4.22Å; A538-K590 HydrophobicContact CB-CB 4.16Å; A538-K590 HydrophobicContact CB-CG 4.45Å; A538-K590 WeakPolarHBondContact O-CD 3.46Å; A538-K590 WeakPolarHBondContact O-CE 3.26Å; A538-K590 WeakPolarHBondContact O-CG 3.35Å
539	S	79.9	Confident	77.4	Confident	112 Å²	112	68.7 Å²	68.7	78%	0.783	42%	0.418	S	S	*	.	S	Bend	trans	-65.8	-43.7	178.9	51	0	0	0	0	111.8	E537 K590	E537-S539 PolarHBondContact O-N 2.85Å; S539-K590 WeakPolarHBondContact O-CE 3.5Å
540	E	83.5	Confident	75.2	Confident	165 Å²	165	74.4 Å²	74.4	77%	0.771	45%	0.453	S	S	*	.			trans	-134.4	153.5	177.6	-66.6	-177.7	-179.7	0	0	109.5
541	I	82	Confident	73.2	Confident	54 Å²	54	77.8 Å²	77.8	28%	0.277	48%	0.475	S	S	.	.			trans	-127.9	104.8	171.9	-70.3	-177.5	0	0	0	106.8	A538 I587 K590 I591 L607	A538-I541 HydrophobicContact CB-CG1 4.22Å; I541-I587 HydrophobicContact CD1-CB 4.48Å; I541-I587 HydrophobicContact CD1-CG2 3.71Å; I541-I587 HydrophobicContact CG1-CG2 4.3Å; I541-K590 HydrophobicContact CD1-CB 3.74Å; I541-K590 HydrophobicContact CD1-CG 3.63Å; I541-K590 HydrophobicContact CG1-CB 4.44Å; I541-K590 HydrophobicContact CG1-CG 3.99Å; I541-I591 HydrophobicContact CD1-CD1 4.45Å; I541-I591 HydrophobicContact CD1-CG1 3.72Å; I541-L607 HydrophobicContact CG2-CD1 3.3Å; I541-L607 HydrophobicContact CG2-CD2 3.62Å; I541-L607 HydrophobicContact CG2-CG 4.09Å
542	A	82.1	Confident	71.5	Confident	84 Å²	84	79.6 Å²	79.6	69%	0.694	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-102.6	121.1	167.3	0	0	0	0	0	108.1	L607	A542-L607 WeakPolarHBondContact O-CD2 3.37Å
543	I	79.1	Confident	69.8	Low	76 Å²	76	81.9 Å²	81.9	39%	0.39	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-65.3	125.3	170.8	-61.8	177.7	0	0	0	107.2	E603 K606 L607	I543-E603 HydrophobicContact CD1-CB 4.19Å; I543-E603 HydrophobicContact CG2-CB 4.48Å; I543-E603 WeakPolarHBondContact CG2-O 3.39Å; I543-K606 HydrophobicContact CG2-CD 4.24Å; I543-L607 HydrophobicContact CG1-CD1 4.4Å; I543-L607 HydrophobicContact CG1-CD2 4.2Å; I543-L607 HydrophobicContact CG1-CG 4.37Å
544	P	76.5	Confident	68.1	Low	60 Å²	60	83.1 Å²	83.1	39%	0.39	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-62.9	141.7	-178.5	25.9	-34.3	0	0	0	110.2	K606	P544-K606 HydrophobicContact CG-CB 3.88Å
545	P	69.3	Low	66.6	Low	116 Å²	116	84.9 Å²	84.9	75%	0.753	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-58.9	147.2	-179.9	26.2	-34.8	0	0	0	110.6	T547	P545-T547 PolarHBondContact O-N 3Å
546	S	53.9	Low	64.5	Low	94 Å²	94	91.2 Å²	91.2	66%	0.657	55%	0.552	S	S	*	*			trans	-67.5	92	-172.1	57.9	0	0	0	0	113
547	T	50.4	Low	63.1	Low	115 Å²	115	92.2 Å²	92.2	71%	0.706	57%	0.572	S	S	*	*			trans	-55.5	134.7	155.6	-42.8	0	0	0	0	108.2	P545 A549	P545-T547 PolarHBondContact O-N 3Å; T547-A549 PolarHBondContact O-N 3.14Å
548	P	43.4	Very low	62	Low	125 Å²	125	93 Å²	93	81%	0.812	58%	0.576	S	S	*	*	S	Bend	trans	-73.7	24.3	-177.7	30.9	-36.9	0	0	0	114.3	V550	P548-V550 PolarHBondContact O-N 2.75Å
549	A	46.6	Very low	61.7	Low	33 Å²	33	96.3 Å²	96.3	27%	0.273	59%	0.591	S	S	.	*			trans	-70.7	94.3	169.6	0	0	0	0	0	108.8	T547	T547-A549 PolarHBondContact O-N 3.14Å
550	V	47.4	Very low	62.1	Low	121 Å²	121	94.3 Å²	94.3	73%	0.733	57%	0.566	S	S	*	*			trans	-61.2	129.9	171.9	179.4	0	0	0	0	107.9	P548 Q552	P548-V550 PolarHBondContact O-N 2.75Å; V550-Q552 PolarHBondContact O-N 3.29Å
551	P	48.3	Very low	62.5	Low	81 Å²	81	87.1 Å²	87.1	53%	0.526	54%	0.537	S	S	.	.			trans	-52.2	113.3	174.9	14.6	-27.1	0	0	0	110.9	A553	P551-A553 VanDerWaalsContact C-N 3.33Å; P551-A553 PolarHBondContact O-N 2.88Å
552	Q	52.5	Low	63.2	Low	130 Å²	130	84.9 Å²	84.9	61%	0.607	53%	0.525	S	S	*	.			trans	-72.4	93	173.6	-65.5	-168.3	30.1	0	0	108.7	V550	V550-Q552 PolarHBondContact O-N 3.29Å
553	A	53.6	Low	63.8	Low	66 Å²	66	80.9 Å²	80.9	55%	0.545	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-50.9	135.9	161.7	0	0	0	0	0	108.6	P551 V555	P551-A553 VanDerWaalsContact C-N 3.33Å; P551-A553 PolarHBondContact O-N 2.88Å; A553-V555 PolarHBondContact O-N 2.78Å
554	P	56.2	Low	64.7	Low	28 Å²	28	77.2 Å²	77.2	18%	0.182	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-51.4	132.1	180	-27	33.2	0	0	0	111.2	E558 Y560	P554-E558 HydrophobicContact CB-CB 3.74Å; P554-E558 VanDerWaalsContact CB-O 3.25Å; P554-E558 WeakPolarHBondContact CB-O 3.26Å; P554-Y560 HydrophobicContact CG-CD1 3.53Å; P554-Y560 HydrophobicContact CG-CD2 3.91Å; P554-Y560 HydrophobicContact CG-CE1 3.63Å; P554-Y560 HydrophobicContact CG-CE2 3.97Å; P554-Y560 HydrophobicContact CG-CG 3.7Å
555	V	55.6	Low	65.8	Low	100 Å²	100	74.5 Å²	74.5	61%	0.606	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-66	150.6	175.1	-175.2	0	0	0	0	107.9	A553 G557 E558	A553-V555 PolarHBondContact O-N 2.78Å; V555-G557 PolarHBondContact O-N 3.05Å; V555-E558 WeakPolarHBondContact CB-OE2 3.44Å; V555-E558 WeakPolarHBondContact CG2-OE2 3.42Å; V555-E558 PolarHBondContact N-OE2 2.99Å; V555-E558 WeakPolarHBondContact O-CB 3.39Å; V555-E558 PolarHBondContact O-N 3.34Å
556	Q	44.5	Very low	67.2	Low	204 Å²	204	69 Å²	69	95%	0.953	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	102	-175.1	-174.3	177.5	3.3	0	0	112.1
557	G	54.6	Low	69.3	Low	85 Å²	85	64.5 Å²	64.5	88%	0.876	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	126	-13.4	-173.4	0	0	0	0	0	114.5	V555	V555-G557 PolarHBondContact O-N 3.05Å
558	E	61.9	Low	71.6	Confident	86 Å²	86	60 Å²	60	40%	0.402	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-95.5	139.4	173.5	-62.5	-179.1	117.1	0	0	111.5	K510 P554 V555	K510-E558 WeakPolarHBondContact CE-OE1 3.48Å; K510-E558 WeakPolarHBondContact CE-OE2 3.43Å; K510-E558 IonicContact NZ-OE1 3.62Å; K510-E558 PolarHBondContact NZ-OE1 3.37Å; K510-E558 IonicContact NZ-OE2 3.39Å; K510-E558 PolarHBondContact NZ-OE2 3.21Å; P554-E558 HydrophobicContact CB-CB 3.74Å; P554-E558 VanDerWaalsContact CB-O 3.25Å; P554-E558 WeakPolarHBondContact CB-O 3.26Å; V555-E558 WeakPolarHBondContact CB-OE2 3.44Å; V555-E558 WeakPolarHBondContact CG2-OE2 3.42Å; V555-E558 PolarHBondContact N-OE2 2.99Å; V555-E558 WeakPolarHBondContact O-CB 3.39Å; V555-E558 PolarHBondContact O-N 3.34Å
559	D	74.4	Confident	74.1	Confident	88 Å²	88	60.2 Å²	60.2	47%	0.471	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-87.1	150.6	168.5	-81.4	-32.6	0	0	0	110	R358	R358-D559 IonicContact CZ-OD2 2.86Å; R358-D559 IonicContact NH1-OD2 3.58Å; R358-D559 PolarHBondContact NH1-OD2 3.24Å; R358-D559 IonicContact NH2-OD2 3.67Å; R358-D559 PolarHBondContact NH2-OD2 3.29Å
560	Y	89.4	Confident	76.3	Confident	69 Å²	69	65.6 Å²	65.6	27%	0.271	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-63.3	154.3	158.3	-68.7	-78.8	0	0	0	110.1	Y347 F508 P554 W579	Y347-Y560 HydrophobicContact CE1-CD2 4.48Å; F508-Y560 VanDerWaalsContact C-CD1 3.47Å; F508-Y560 HydrophobicContact CB-CD1 3.42Å; F508-Y560 VanDerWaalsContact CB-CD1 3.42Å; F508-Y560 HydrophobicContact CB-CD2 4.11Å; F508-Y560 HydrophobicContact CB-CE1 3.67Å; F508-Y560 HydrophobicContact CB-CE2 4.35Å; F508-Y560 HydrophobicContact CB-CG 3.64Å; F508-Y560 VanDerWaalsContact O-CE1 3.26Å; F508-Y560 WeakPolarHBondContact O-CE1 3.32Å; P554-Y560 HydrophobicContact CG-CD1 3.53Å; P554-Y560 HydrophobicContact CG-CD2 3.91Å; P554-Y560 HydrophobicContact CG-CE1 3.63Å; P554-Y560 HydrophobicContact CG-CE2 3.97Å; P554-Y560 HydrophobicContact CG-CG 3.7Å; Y560-W579 WeakPolarHBondContact O-CH2 3.45Å
561	G	91.5	Very high	78.3	Confident	14 Å²	14	64.3 Å²	64.3	14%	0.144	35%	0.353	C	S	.	.			trans	-126.5	-17.9	-178.1	0	0	0	0	0	115.9	A509 W579 N580	A509-G561 PolarHBondContact O-N 3.31Å; G561-W579 VanDerWaalsContact C-CZ2 3.48Å; G561-W579 WeakPolarHBondContact O-CZ2 3.3Å; G561-N580 WeakPolarHBondContact O-CB 3.4Å; G561-N580 PolarHBondContact O-ND2 2.95Å
562	K	95.3	Very high	80.7	Confident	7 Å²	7	62.1 Å²	62.1	3%	0.03	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	163.6	175.7	72.3	-175.4	177.9	-178.4	0	111.7	F508 A509 K510 D515 W579 N580 I581 N609	F508-K562 WeakPolarHBondContact CA-O 3.2Å; A509-K562 HydrophobicContact CB-CG 4.16Å; A509-K562 PolarHBondContact N-O 3.02Å; A509-K562 PolarHBondContact O-N 3.21Å; A509-K562 VanDerWaalsContact O-N 3.09Å; K510-K562 VanDerWaalsContact O-CE 3.32Å; K510-K562 WeakPolarHBondContact O-CE 3.35Å; D515-K562 HydrophobicContact CB-CD 4.03Å; D515-K562 VanDerWaalsContact CG-NZ 3.32Å; D515-K562 IonicContact OD1-NZ 3.37Å; D515-K562 PolarHBondContact OD1-NZ 3.41Å; D515-K562 WeakPolarHBondContact OD2-CD 3.45Å; D515-K562 WeakPolarHBondContact OD2-CE 3.42Å; D515-K562 IonicContact OD2-NZ 2.83Å; D515-K562 PolarHBondContact OD2-NZ 3.2Å; K562-W579 VanDerWaalsContact C-CE3 3.45Å; K562-W579 CarbonylContact C-O 3.1Å; K562-W579 VanDerWaalsContact CA-O 3.29Å; K562-W579 WeakPolarHBondContact CA-O 3.37Å; K562-W579 WeakPolarHBondContact CB-O 3.25Å; K562-N580 HydrophobicContact CB-CB 3.84Å; K562-I581 HydrophobicContact CB-CG1 4.19Å; K562-I581 HydrophobicContact CD-CG1 4.3Å; K562-I581 HydrophobicContact CG-CG1 4.47Å; K562-N609 WeakPolarHBondContact CE-O 3.44Å; K562-N609 PolarHBondContact NZ-O 2.92Å; K562-N609 VanDerWaalsContact NZ-O 3.13Å
563	G	96	Very high	82.8	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.5	167.7	173.1	0	0	0	0	0	115.9	V507 W579 I581	V507-G563 CarbonylContact O-C 3.19Å; V507-G563 WeakPolarHBondContact O-CA 3.34Å; G563-W579 PolarHBondContact N-O 3.22Å; G563-W579 PolarHBondContact O-N 3.09Å; G563-I581 WeakPolarHBondContact O-CD1 3.49Å
564	V	98.1	Very high	84.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136.1	172.6	58.4	0	0	0	0	109.6	G506 V507 F566 I576 L578 A605 F608 I610	G506-V564 CarbonylContact C-O 3.52Å; G506-V564 WeakPolarHBondContact CA-O 3.5Å; V507-V564 HydrophobicContact CB-CG1 4.22Å; V507-V564 PolarHBondContact N-O 3.25Å; V507-V564 PolarHBondContact O-N 3.07Å; V564-F566 HydrophobicContact CB-CE2 4.49Å; V564-F566 HydrophobicContact CB-CZ 4.43Å; V564-F566 HydrophobicContact CG1-CE2 3.73Å; V564-F566 HydrophobicContact CG1-CZ 3.88Å; V564-F566 HydrophobicContact CG2-CD1 4.32Å; V564-F566 HydrophobicContact CG2-CD2 4.41Å; V564-F566 HydrophobicContact CG2-CE1 3.82Å; V564-F566 HydrophobicContact CG2-CE2 3.94Å; V564-F566 HydrophobicContact CG2-CZ 3.62Å; V564-I576 HydrophobicContact CG2-CG2 3.91Å; V564-L578 HydrophobicContact CB-CD2 4.09Å; V564-L578 HydrophobicContact CG2-CD2 3.82Å; V564-A605 HydrophobicContact CG1-CB 3.84Å; V564-F608 HydrophobicContact CB-CB 4.47Å; V564-F608 HydrophobicContact CB-CD2 4.43Å; V564-F608 HydrophobicContact CB-CG 4.38Å; V564-F608 HydrophobicContact CG1-CD2 4.39Å; V564-F608 HydrophobicContact CG2-CD2 4.08Å; V564-F608 HydrophobicContact CG2-CE2 4.26Å; V564-F608 HydrophobicContact CG2-CG 4.31Å; V564-I610 HydrophobicContact CG1-CD1 4.18Å; V564-I610 HydrophobicContact CG1-CG1 4.05Å
565	V	98.5	Very high	86.9	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.012	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.3	175.4	-178.5	0	0	0	0	109	P345 L348 T504 V505 F508 Y567 I576 V577	P345-V565 HydrophobicContact CG-CG1 3.74Å; L348-V565 HydrophobicContact CD2-CG2 4.37Å; T504-V565 HydrophobicContact CG2-CG1 4.26Å; V505-V565 WeakPolarHBondContact O-CA 3.01Å; F508-V565 HydrophobicContact CE1-CG2 4.17Å; F508-V565 HydrophobicContact CZ-CG2 3.99Å; V565-Y567 HydrophobicContact CB-CE2 4.07Å; V565-Y567 HydrophobicContact CG1-CD2 4.27Å; V565-Y567 HydrophobicContact CG1-CE2 3.63Å; V565-Y567 WeakPolarHBondContact O-CD2 3.44Å; V565-Y567 WeakPolarHBondContact O-CE2 3.32Å; V565-I576 WeakPolarHBondContact O-CA 3.26Å; V565-V577 HydrophobicContact CB-CB 4.34Å; V565-V577 PolarHBondContact N-O 3.41Å; V565-V577 PolarHBondContact O-N 2.94Å
566	F	98.5	Very high	89	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.7	175.1	-55.5	-78.9	0	0	0	110.2	T504 V505 V507 V564 L568 V573 I576 L601 V604 A605 F608	T504-F566 CarbonylContact C-O 3.59Å; T504-F566 WeakPolarHBondContact CA-O 3.49Å; V505-F566 PolarHBondContact N-O 2.98Å; V505-F566 PolarHBondContact O-N 3.37Å; V507-F566 HydrophobicContact CG2-CE2 4.38Å; V564-F566 HydrophobicContact CB-CE2 4.49Å; V564-F566 HydrophobicContact CB-CZ 4.43Å; V564-F566 HydrophobicContact CG1-CE2 3.73Å; V564-F566 HydrophobicContact CG1-CZ 3.88Å; V564-F566 HydrophobicContact CG2-CD1 4.32Å; V564-F566 HydrophobicContact CG2-CD2 4.41Å; V564-F566 HydrophobicContact CG2-CE1 3.82Å; V564-F566 HydrophobicContact CG2-CE2 3.94Å; V564-F566 HydrophobicContact CG2-CZ 3.62Å; F566-L568 HydrophobicContact CB-CD2 4.12Å; F566-V573 HydrophobicContact CB-CG1 4.44Å; F566-V573 HydrophobicContact CB-CG2 4.25Å; F566-V573 HydrophobicContact CD1-CG1 4.07Å; F566-V573 HydrophobicContact CD1-CG2 4.04Å; F566-V573 HydrophobicContact CG-CG2 4.46Å; F566-I576 HydrophobicContact CD1-CD1 4.11Å; F566-I576 HydrophobicContact CD1-CG1 3.94Å; F566-I576 HydrophobicContact CE1-CD1 4.15Å; F566-I576 HydrophobicContact CE1-CG1 4.4Å; F566-L601 HydrophobicContact CB-CD1 4.24Å; F566-L601 HydrophobicContact CB-CD2 4.48Å; F566-L601 HydrophobicContact CD1-CD2 4.28Å; F566-L601 HydrophobicContact CD2-CB 4.05Å; F566-L601 HydrophobicContact CD2-CD1 4.4Å; F566-L601 HydrophobicContact CD2-CD2 4.1Å; F566-L601 HydrophobicContact CD2-CG 4.42Å; F566-L601 HydrophobicContact CE2-CB 4.2Å; F566-L601 HydrophobicContact CE2-CD2 4.39Å; F566-L601 HydrophobicContact CG-CD1 4.47Å; F566-L601 HydrophobicContact CG-CD2 4.04Å; F566-V604 HydrophobicContact CE1-CG1 3.81Å; F566-V604 HydrophobicContact CZ-CB 4.2Å; F566-V604 HydrophobicContact CZ-CG1 3.77Å; F566-A605 HydrophobicContact CE2-CB 4.33Å; F566-F608 HydrophobicContact CE1-CE2 4.01Å; F566-F608 HydrophobicContact CZ-CD2 4.3Å; F566-F608 HydrophobicContact CZ-CE2 4.09Å
567	Y	98.6	Very high	91.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.8	177.1	-61.8	-107.4	0	0	0	108.7	I343 V498 D499 T504 V565 V574 G575 V577	I343-Y567 VanDerWaalsContact O-CE1 3.27Å; I343-Y567 WeakPolarHBondContact O-CE1 3.4Å; I343-Y567 PolarHBondContact O-OH 3.37Å; V498-Y567 HydrophobicContact CB-CD2 4.39Å; V498-Y567 HydrophobicContact CB-CE1 4.3Å; V498-Y567 HydrophobicContact CB-CE2 4.15Å; V498-Y567 HydrophobicContact CG1-CD2 3.83Å; V498-Y567 HydrophobicContact CG1-CE2 3.77Å; V498-Y567 HydrophobicContact CG1-CG 4.37Å; D499-Y567 WeakPolarHBondContact O-CD1 3.36Å; T504-Y567 HydrophobicContact CG2-CD1 3.43Å; T504-Y567 VanDerWaalsContact CG2-CD1 3.43Å; T504-Y567 HydrophobicContact CG2-CE1 3.65Å; T504-Y567 HydrophobicContact CG2-CG 3.96Å; V565-Y567 HydrophobicContact CB-CE2 4.07Å; V565-Y567 HydrophobicContact CG1-CD2 4.27Å; V565-Y567 HydrophobicContact CG1-CE2 3.63Å; V565-Y567 WeakPolarHBondContact O-CD2 3.44Å; V565-Y567 WeakPolarHBondContact O-CE2 3.32Å; Y567-V574 WeakPolarHBondContact O-CG2 3.38Å; Y567-V574 PolarHBondContact O-N 3.03Å; Y567-G575 WeakPolarHBondContact CD2-O 3.41Å; Y567-G575 PolarHBondContact N-O 3.4Å; Y567-G575 PolarHBondContact O-N 3.08Å; Y567-V577 HydrophobicContact CE2-CB 3.99Å; Y567-V577 HydrophobicContact CE2-CG2 3.66Å; Y567-V577 WeakPolarHBondContact OH-CG2 3.37Å
568	L	97.9	Very high	93.7	Very high	22 Å²	22	34.1 Å²	34.1	12%	0.115	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148	-161	-53.3	179.9	0	0	0	113.8	P503 V505 F566 V572 V573 L601	P503-L568 HydrophobicContact CB-CB 4.49Å; P503-L568 WeakPolarHBondContact O-CB 3.26Å; P503-L568 PolarHBondContact O-N 2.99Å; V505-L568 HydrophobicContact CG2-CD1 4.03Å; F566-L568 HydrophobicContact CB-CD2 4.12Å; L568-V572 WeakPolarHBondContact CA-O 3.27Å; L568-V573 HydrophobicContact CD2-CB 4.46Å; L568-V573 HydrophobicContact CD2-CG2 3.77Å; L568-L601 HydrophobicContact CD1-CD1 3.84Å; L568-L601 HydrophobicContact CD2-CD1 3.84Å; L568-L601 HydrophobicContact CG-CD1 4.43Å
569	R	96.4	Very high	95.4	Very high	129 Å²	129	30 Å²	30	49%	0.487	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	123.5	158.1	-69	-177.7	174.7	172.5	-6.1	107.8	L497 L502 K571 V572 V574	L497-R569 VanDerWaalsContact CD2-NH2 3.3Å; L502-R569 HydrophobicContact CD2-CG 4.48Å; R569-K571 VanDerWaalsContact C-N 3.33Å; R569-K571 PolarHBondContact O-N 3.46Å; R569-V572 PolarHBondContact N-O 2.96Å; R569-V572 WeakPolarHBondContact O-CA 3.32Å; R569-V572 WeakPolarHBondContact O-CB 3.47Å; R569-V572 PolarHBondContact O-N 3.26Å; R569-V574 HydrophobicContact CB-CG1 4.05Å; R569-V574 HydrophobicContact CG-CG1 4.16Å; R569-V574 HydrophobicContact CG-CG2 4.09Å
570	D	92.5	Very high	96.5	Very high	145 Å²	145	26.3 Å²	26.3	78%	0.775	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	47.9	176	-50.7	-45.4	0	0	0	114.1	V572 Q597	D570-V572 PolarHBondContact O-N 3.42Å; D570-V572 VanDerWaalsContact O-N 3.12Å; D570-Q597 PolarHBondContact O-NE2 3.07Å
571	K	91.2	Very high	96.9	Very high	95 Å²	95	23.3 Å²	23.3	41%	0.413	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-5.6	-170.2	-57.6	-169.9	-172.9	-177.7	0	117	R569 Q597 H598 E599	R569-K571 VanDerWaalsContact C-N 3.33Å; R569-K571 PolarHBondContact O-N 3.46Å; K571-Q597 HydrophobicContact CB-CB 3.96Å; K571-Q597 HydrophobicContact CB-CG 3.98Å; K571-H598 PolarHBondContact O-N 3.15Å; K571-E599 IonicContact NZ-OE1 2.64Å; K571-E599 PolarHBondContact NZ-OE1 3.47Å; K571-E599 IonicContact NZ-OE2 2.73Å; K571-E599 PolarHBondContact NZ-OE2 3.41Å
572	V	96.6	Very high	97.1	Very high	34 Å²	34	23.4 Å²	23.4	21%	0.206	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135.9	175.9	-178.5	0	0	0	0	110.5	L568 R569 D570 V574 G595 Q597	L568-V572 WeakPolarHBondContact CA-O 3.27Å; R569-V572 PolarHBondContact N-O 2.96Å; R569-V572 WeakPolarHBondContact O-CA 3.32Å; R569-V572 WeakPolarHBondContact O-CB 3.47Å; R569-V572 PolarHBondContact O-N 3.26Å; D570-V572 PolarHBondContact O-N 3.42Å; D570-V572 VanDerWaalsContact O-N 3.12Å; V572-V574 PolarHBondContact O-N 3.13Å; V572-G595 VanDerWaalsContact CG1-O 3.31Å; V572-G595 WeakPolarHBondContact CG1-O 3.44Å; V572-G595 WeakPolarHBondContact CG2-O 3.3Å; V572-Q597 HydrophobicContact CG2-CG 3.79Å
573	V	97.9	Very high	97	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	116	174.4	-179.8	0	0	0	0	109.8	F566 L568 G575 I576 I591 I592 L601	F566-V573 HydrophobicContact CB-CG1 4.44Å; F566-V573 HydrophobicContact CB-CG2 4.25Å; F566-V573 HydrophobicContact CD1-CG1 4.07Å; F566-V573 HydrophobicContact CD1-CG2 4.04Å; F566-V573 HydrophobicContact CG-CG2 4.46Å; L568-V573 HydrophobicContact CD2-CB 4.46Å; L568-V573 HydrophobicContact CD2-CG2 3.77Å; V573-G575 WeakPolarHBondContact CG1-O 3.48Å; V573-I576 HydrophobicContact CG1-CD1 4.02Å; V573-I576 HydrophobicContact CG1-CG1 3.66Å; V573-I591 HydrophobicContact CB-CG2 3.95Å; V573-I591 HydrophobicContact CG1-CG2 4.14Å; V573-I591 HydrophobicContact CG2-CG2 4.2Å; V573-I592 HydrophobicContact CG1-CG1 4.1Å; V573-L601 HydrophobicContact CG2-CD2 3.95Å
574	V	97.9	Very high	97	Very high	21 Å²	21	29 Å²	29	13%	0.127	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-12.6	179.4	-61.9	0	0	0	0	113.5	G496 L497 L502 Y567 R569 V572	G496-V574 WeakPolarHBondContact CA-O 3.46Å; L497-V574 HydrophobicContact CB-CG2 4.33Å; L497-V574 HydrophobicContact CD2-CG2 4.39Å; L497-V574 PolarHBondContact N-O 3.48Å; L502-V574 HydrophobicContact CD1-CG2 4.12Å; Y567-V574 WeakPolarHBondContact O-CG2 3.38Å; Y567-V574 PolarHBondContact O-N 3.03Å; R569-V574 HydrophobicContact CB-CG1 4.05Å; R569-V574 HydrophobicContact CG-CG1 4.16Å; R569-V574 HydrophobicContact CG-CG2 4.09Å; V572-V574 PolarHBondContact O-N 3.13Å
575	G	98.4	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	157.6	174.1	0	0	0	0	0	111.7	I495 L497 Y567 V573	I495-G575 CarbonylContact O-C 3.58Å; I495-G575 WeakPolarHBondContact O-CA 3.3Å; L497-G575 WeakPolarHBondContact O-CA 3.26Å; Y567-G575 WeakPolarHBondContact CD2-O 3.41Å; Y567-G575 PolarHBondContact N-O 3.4Å; Y567-G575 PolarHBondContact O-N 3.08Å; V573-G575 WeakPolarHBondContact CG1-O 3.48Å
576	I	98.8	Very high	96.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.7	178.2	-67.2	172	0	0	0	108.6	A494 I495 V564 V565 F566 V573 L578 A588 I591 I592 F608	A494-I576 WeakPolarHBondContact CA-O 3.34Å; I495-I576 HydrophobicContact CG2-CB 4.02Å; I495-I576 PolarHBondContact N-O 3.11Å; I495-I576 PolarHBondContact O-N 2.95Å; V564-I576 HydrophobicContact CG2-CG2 3.91Å; V565-I576 WeakPolarHBondContact O-CA 3.26Å; F566-I576 HydrophobicContact CD1-CD1 4.11Å; F566-I576 HydrophobicContact CD1-CG1 3.94Å; F566-I576 HydrophobicContact CE1-CD1 4.15Å; F566-I576 HydrophobicContact CE1-CG1 4.4Å; V573-I576 HydrophobicContact CG1-CD1 4.02Å; V573-I576 HydrophobicContact CG1-CG1 3.66Å; I576-L578 HydrophobicContact CG2-CD2 3.88Å; I576-L578 HydrophobicContact CG2-CG 4.21Å; I576-A588 HydrophobicContact CB-CB 4.36Å; I576-A588 HydrophobicContact CD1-CB 3.79Å; I576-A588 HydrophobicContact CG2-CB 4.26Å; I576-I591 HydrophobicContact CD1-CB 4.37Å; I576-I591 HydrophobicContact CD1-CD1 4.37Å; I576-I591 HydrophobicContact CD1-CG2 4.3Å; I576-I592 HydrophobicContact CB-CD1 4.41Å; I576-I592 HydrophobicContact CD1-CD1 4.23Å; I576-I592 HydrophobicContact CD1-CG1 4.25Å; I576-I592 HydrophobicContact CG1-CD1 4.11Å; I576-I592 HydrophobicContact CG1-CG1 4.4Å; I576-F608 HydrophobicContact CD1-CZ 4.29Å
577	V	98.8	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.9	159.8	169.6	0	0	0	0	108.6	I343 L344 E493 A494 V498 V565 Y567	I343-V577 HydrophobicContact CG2-CG2 4.32Å; L344-V577 HydrophobicContact CD2-CG1 3.88Å; L344-V577 HydrophobicContact CD2-CG2 4.35Å; E493-V577 CarbonylContact O-C 3.6Å; E493-V577 WeakPolarHBondContact O-CA 3.29Å; A494-V577 HydrophobicContact CB-CG2 3.95Å; V498-V577 HydrophobicContact CB-CG2 4.11Å; V498-V577 HydrophobicContact CG1-CG2 3.8Å; V565-V577 HydrophobicContact CB-CB 4.34Å; V565-V577 PolarHBondContact N-O 3.41Å; V565-V577 PolarHBondContact O-N 2.94Å; Y567-V577 HydrophobicContact CE2-CB 3.99Å; Y567-V577 HydrophobicContact CE2-CG2 3.66Å; Y567-V577 WeakPolarHBondContact OH-CG2 3.37Å
578	L	98.6	Very high	96.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	138.4	168	-58.5	-179.7	0	0	0	108.6	Y492 E493 V564 I576 I581 R584 M585 F608	Y492-L578 CarbonylContact C-O 3.59Å; Y492-L578 VanDerWaalsContact CA-O 3.31Å; Y492-L578 WeakPolarHBondContact CA-O 3.49Å; E493-L578 HydrophobicContact CB-CB 4.21Å; E493-L578 PolarHBondContact N-O 3.41Å; E493-L578 PolarHBondContact O-N 2.94Å; V564-L578 HydrophobicContact CB-CD2 4.09Å; V564-L578 HydrophobicContact CG2-CD2 3.82Å; I576-L578 HydrophobicContact CG2-CD2 3.88Å; I576-L578 HydrophobicContact CG2-CG 4.21Å; L578-I581 HydrophobicContact CB-CB 4.28Å; L578-I581 HydrophobicContact CD1-CG2 4.46Å; L578-R584 HydrophobicContact CD1-CB 4.25Å; L578-M585 HydrophobicContact CD1-CE 4.32Å; L578-F608 HydrophobicContact CD1-CD1 4.38Å; L578-F608 HydrophobicContact CD1-CE1 4.36Å; L578-F608 HydrophobicContact CD2-CD1 3.53Å; L578-F608 HydrophobicContact CD2-CE1 3.75Å; L578-F608 HydrophobicContact CD2-CG 4.26Å
579	W	98.5	Very high	96.7	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.2	174	163.2	43.5	0	0	0	108.2	Y347 L348 W351 Y492 F508 Y560 G561 K562 G563 I581	Y347-W579 HydrophobicContact CE1-CZ3 4.4Å; L348-W579 HydrophobicContact CD1-CB 4.48Å; L348-W579 HydrophobicContact CD1-CD2 3.48Å; L348-W579 VanDerWaalsContact CD1-CD2 3.48Å; L348-W579 HydrophobicContact CD1-CE3 3.49Å; L348-W579 VanDerWaalsContact CD1-CE3 3.49Å; L348-W579 HydrophobicContact CD1-CG 3.93Å; L348-W579 HydrophobicContact CD1-CH2 4.25Å; L348-W579 HydrophobicContact CD1-CZ2 4.29Å; L348-W579 HydrophobicContact CD1-CZ3 3.88Å; L348-W579 HydrophobicContact CD2-CB 4.04Å; L348-W579 HydrophobicContact CD2-CE3 4.48Å; L348-W579 HydrophobicContact CD2-CG 4.36Å; W351-W579 HydrophobicContact CD2-CH2 4.14Å; W351-W579 AromaticContact CD2-CZ2 3.68Å; W351-W579 HydrophobicContact CD2-CZ2 3.68Å; W351-W579 AromaticContact CE2-CZ2 3.51Å; W351-W579 AromaticContact CE3-CZ2 3.82Å; W351-W579 HydrophobicContact CE3-CZ2 3.82Å; W351-W579 HydrophobicContact CG-CH2 4.4Å; W351-W579 HydrophobicContact CG-CZ2 4.4Å; W351-W579 AromaticContact CH2-CZ2 3.75Å; W351-W579 HydrophobicContact CH2-CZ2 3.75Å; W351-W579 AromaticContact CH2-NE1 3.81Å; W351-W579 HydrophobicContact CZ2-CH2 4.48Å; W351-W579 AromaticContact CZ2-CZ2 3.58Å; W351-W579 HydrophobicContact CZ2-CZ2 3.58Å; W351-W579 AromaticContact CZ3-CE2 3.92Å; W351-W579 AromaticContact CZ3-CZ2 3.86Å; W351-W579 HydrophobicContact CZ3-CZ2 3.86Å; W351-W579 AromaticContact CZ3-NE1 3.6Å; Y492-W579 HydrophobicContact CD1-CB 3.85Å; Y492-W579 AromaticContact CD1-CD1 3.93Å; Y492-W579 HydrophobicContact CD1-CG 4.15Å; Y492-W579 HydrophobicContact CE1-CB 3.8Å; Y492-W579 AromaticContact CE1-CD1 3.34Å; Y492-W579 AromaticContact CE1-CG 3.65Å; Y492-W579 HydrophobicContact CE1-CG 3.65Å; Y492-W579 AromaticContact CZ-CD1 3.89Å; F508-W579 AromaticContact CD1-CE3 3.78Å; F508-W579 HydrophobicContact CD1-CE3 3.78Å; F508-W579 AromaticContact CD1-CZ3 3.68Å; F508-W579 HydrophobicContact CD1-CZ3 3.68Å; F508-W579 HydrophobicContact CE1-CE3 4.02Å; F508-W579 HydrophobicContact CE1-CZ3 4.17Å; Y560-W579 WeakPolarHBondContact O-CH2 3.45Å; G561-W579 VanDerWaalsContact C-CZ2 3.48Å; G561-W579 WeakPolarHBondContact O-CZ2 3.3Å; K562-W579 VanDerWaalsContact C-CE3 3.45Å; K562-W579 CarbonylContact C-O 3.1Å; K562-W579 VanDerWaalsContact CA-O 3.29Å; K562-W579 WeakPolarHBondContact CA-O 3.37Å; K562-W579 WeakPolarHBondContact CB-O 3.25Å; G563-W579 PolarHBondContact N-O 3.22Å; G563-W579 PolarHBondContact O-N 3.09Å; W579-I581 PolarHBondContact O-N 3.31Å
580	N	97.9	Very high	96.6	Very high	9 Å²	9	26.4 Å²	26.4	5%	0.048	13%	0.131	C	C	.	.	S	Bend	trans	51.9	38.2	-175.6	-80.1	-11.2	0	0	0	113.6	V490 G491 D515 G561 K562	V490-N580 WeakPolarHBondContact CA-OD1 3.46Å; G491-N580 PolarHBondContact N-OD1 2.92Å; G491-N580 PolarHBondContact O-N 3.18Å; D515-N580 WeakPolarHBondContact CB-O 3.26Å; D515-N580 VanDerWaalsContact O-CB 3.29Å; D515-N580 WeakPolarHBondContact O-CB 3.4Å; D515-N580 VanDerWaalsContact O-CG 3.26Å; G561-N580 WeakPolarHBondContact O-CB 3.4Å; G561-N580 PolarHBondContact O-ND2 2.95Å; K562-N580 HydrophobicContact CB-CB 3.84Å
581	I	96.5	Very high	96.8	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.031	10%	0.096	C	C	.	.			trans	-132.7	129.3	173	-59.9	168	0	0	0	107	K562 G563 L578 W579 R584 F608 I610	K562-I581 HydrophobicContact CB-CG1 4.19Å; K562-I581 HydrophobicContact CD-CG1 4.3Å; K562-I581 HydrophobicContact CG-CG1 4.47Å; G563-I581 WeakPolarHBondContact O-CD1 3.49Å; L578-I581 HydrophobicContact CB-CB 4.28Å; L578-I581 HydrophobicContact CD1-CG2 4.46Å; W579-I581 PolarHBondContact O-N 3.31Å; I581-R584 HydrophobicContact CG2-CB 4.07Å; I581-R584 HydrophobicContact CG2-CG 3.79Å; I581-F608 HydrophobicContact CD1-CB 4.23Å; I581-F608 HydrophobicContact CG2-CB 4.4Å; I581-I610 HydrophobicContact CD1-CD1 3.43Å; I581-I610 VanDerWaalsContact CD1-CD1 3.43Å; I581-I610 HydrophobicContact CD1-CG1 4.45Å
582	F	95.7	Very high	97.1	Very high	17 Å²	17	15.5 Å²	15.5	8%	0.075	8%	0.078	C	C	.	.			trans	-137.2	162.5	-171.8	-50.5	-81	0	0	0	110.2	N516 P517 A520 R529 R584	N516-F582 VanDerWaalsContact C-CE2 3.43Å; P517-F582 HydrophobicContact CG-CZ 4.11Å; A520-F582 HydrophobicContact CB-CB 3.92Å; A520-F582 HydrophobicContact CB-CD1 4.12Å; A520-F582 HydrophobicContact CB-CD2 3.9Å; A520-F582 HydrophobicContact CB-CE2 4.49Å; A520-F582 HydrophobicContact CB-CG 3.7Å; R529-F582 HydrophobicContact CG-CD1 4.49Å; F582-R584 VanDerWaalsContact C-N 3.3Å
583	N	94.1	Very high	96.9	Very high	56 Å²	56	18.1 Å²	18.1	30%	0.299	9%	0.086	S	C	.	.	S	Bend	trans	57.6	39.2	-172.1	-44.6	-82.6	0	0	0	112.6	Q523 E533	Q523-N583 PolarHBondContact OE1-ND2 3.43Å; E533-N583 VanDerWaalsContact CD-N 3.32Å; E533-N583 VanDerWaalsContact OE1-CA 3.22Å; E533-N583 WeakPolarHBondContact OE1-CA 3.36Å; E533-N583 PolarHBondContact OE1-N 2.99Å; E533-N583 VanDerWaalsContact OE2-CA 3.27Å; E533-N583 WeakPolarHBondContact OE2-CA 3.42Å; E533-N583 PolarHBondContact OE2-N 3.38Å
584	R	96	Very high	96.8	Very high	68 Å²	68	21.3 Å²	21.3	26%	0.257	10%	0.103	S	C	.	.			trans	-138.9	-3.9	-174.7	-66.8	-66.4	179.2	-83.8	2	114.1	E533 L578 I581 F582 P586 I587 A588 L607 F608 N609	E533-R584 PolarHBondContact OE2-N 2.9Å; L578-R584 HydrophobicContact CD1-CB 4.25Å; I581-R584 HydrophobicContact CG2-CB 4.07Å; I581-R584 HydrophobicContact CG2-CG 3.79Å; F582-R584 VanDerWaalsContact C-N 3.3Å; R584-P586 VanDerWaalsContact C-CD 3.43Å; R584-P586 VanDerWaalsContact C-N 3.35Å; R584-I587 WeakPolarHBondContact O-CB 3.43Å; R584-I587 PolarHBondContact O-N 2.95Å; R584-I587 VanDerWaalsContact O-N 3.08Å; R584-A588 PolarHBondContact O-N 3.17Å; R584-L607 WeakPolarHBondContact CD-O 3.42Å; R584-F608 HydrophobicContact CB-CD1 3.85Å; R584-F608 HydrophobicContact CB-CE1 4.18Å; R584-F608 HydrophobicContact CG-CD1 4.39Å; R584-N609 VanDerWaalsContact CZ-OD1 3.27Å; R584-N609 PolarHBondContact NE-OD1 2.82Å; R584-N609 PolarHBondContact NH2-ND2 3.05Å; R584-N609 PolarHBondContact NH2-OD1 2.95Å
585	M	97.4	Very high	96.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.7	-34.2	176.4	-171	56.4	55.1	0	0	114.7	M481 E493 I495 E533 L578 I587 A588 R589	M481-M585 HydrophobicContact CB-CE 4.1Å; M481-M585 HydrophobicContact CB-CG 3.96Å; M481-M585 HydrophobicContact CB-SD 3.85Å; M481-M585 HydrophobicContact CE-CE 4.27Å; M481-M585 HydrophobicContact CG-CG 4.48Å; M481-M585 HydrophobicContact SD-CG 3.94Å; E493-M585 HydrophobicContact CB-CE 3.65Å; E493-M585 WeakPolarHBondContact OE2-CE 3.38Å; I495-M585 HydrophobicContact CB-CE 4.41Å; I495-M585 HydrophobicContact CB-SD 3.66Å; I495-M585 HydrophobicContact CD1-SD 3.6Å; I495-M585 HydrophobicContact CG1-SD 4.23Å; I495-M585 HydrophobicContact CG2-CE 4.26Å; I495-M585 HydrophobicContact CG2-SD 3.58Å; I495-M585 VanDerWaalsContact CG2-SD 3.58Å; E533-M585 HydrophobicContact CB-CB 3.8Å; E533-M585 HydrophobicContact CB-CG 4.46Å; E533-M585 HydrophobicContact CG-CB 3.72Å; E533-M585 VanDerWaalsContact OE2-CB 3.29Å; E533-M585 WeakPolarHBondContact OE2-CB 3.36Å; E533-M585 PolarHBondContact OE2-N 3.26Å; L578-M585 HydrophobicContact CD1-CE 4.32Å; M585-I587 PolarHBondContact O-N 3.45Å; M585-A588 PolarHBondContact O-N 3.28Å; M585-A588 VanDerWaalsContact O-N 3.15Å; M585-A588 HydrophobicContact SD-CB 4.1Å; M585-R589 WeakPolarHBondContact O-CG 3.43Å; M585-R589 PolarHBondContact O-N 3.37Å
586	P	96.8	Very high	96.3	Very high	23 Å²	23	27.5 Å²	27.5	15%	0.149	14%	0.137	C	C	.	.	H	α-helix	trans	-59.6	-31.9	174	-27.4	37.3	0	0	0	113.9	E533 S536 A538 R584 K590	E533-P586 WeakPolarHBondContact O-CG 3.35Å; S536-P586 WeakPolarHBondContact O-CA 3.42Å; S536-P586 WeakPolarHBondContact O-CB 3.44Å; A538-P586 PolarHBondContact N-O 3.49Å; R584-P586 VanDerWaalsContact C-CD 3.43Å; R584-P586 VanDerWaalsContact C-N 3.35Å; P586-K590 WeakPolarHBondContact O-CB 3.45Å; P586-K590 PolarHBondContact O-N 3.27Å
587	I	96.6	Very high	96.1	Very high	34 Å²	34	33 Å²	33	17%	0.174	16%	0.163	C	C	.	.	H	α-helix	trans	-71.5	-46.8	174.2	-57.6	-178.5	0	0	0	109.6	A538 I541 R584 M585 R589 K590 I591 L607 F608	A538-I587 HydrophobicContact CB-CG1 4.22Å; I541-I587 HydrophobicContact CD1-CB 4.48Å; I541-I587 HydrophobicContact CD1-CG2 3.71Å; I541-I587 HydrophobicContact CG1-CG2 4.3Å; R584-I587 WeakPolarHBondContact O-CB 3.43Å; R584-I587 PolarHBondContact O-N 2.95Å; R584-I587 VanDerWaalsContact O-N 3.08Å; M585-I587 PolarHBondContact O-N 3.45Å; I587-R589 VanDerWaalsContact C-N 3.33Å; I587-R589 PolarHBondContact O-N 3.48Å; I587-K590 PolarHBondContact O-N 3.1Å; I587-K590 VanDerWaalsContact O-N 3.17Å; I587-I591 HydrophobicContact CG2-CD1 4Å; I587-I591 WeakPolarHBondContact O-CG1 3.34Å; I587-I591 PolarHBondContact O-N 3.36Å; I587-L607 WeakPolarHBondContact CD1-O 3.38Å; I587-L607 HydrophobicContact CG2-CB 3.98Å; I587-L607 HydrophobicContact CG2-CD1 4.25Å; I587-F608 HydrophobicContact CB-CE1 4.37Å; I587-F608 HydrophobicContact CB-CZ 4.38Å; I587-F608 HydrophobicContact CG2-CE1 4.31Å; I587-F608 HydrophobicContact CG2-CE2 4.34Å; I587-F608 HydrophobicContact CG2-CZ 3.91Å
588	A	97.1	Very high	95.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-40.4	177.9	0	0	0	0	0	112.8	I495 I576 R584 M585 I592 F608	I495-A588 HydrophobicContact CG2-CB 3.91Å; I576-A588 HydrophobicContact CB-CB 4.36Å; I576-A588 HydrophobicContact CD1-CB 3.79Å; I576-A588 HydrophobicContact CG2-CB 4.26Å; R584-A588 PolarHBondContact O-N 3.17Å; M585-A588 PolarHBondContact O-N 3.28Å; M585-A588 VanDerWaalsContact O-N 3.15Å; M585-A588 HydrophobicContact SD-CB 4.1Å; A588-I592 WeakPolarHBondContact O-CD1 3.42Å; A588-I592 WeakPolarHBondContact O-CG1 3.33Å; A588-I592 PolarHBondContact O-N 3.2Å; A588-F608 HydrophobicContact CB-CE1 4.11Å; A588-F608 HydrophobicContact CB-CZ 4.16Å
589	R	96.6	Very high	95.2	Very high	2 Å²	2	42 Å²	42	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-56.6	-56	170.4	-74.6	172.5	-177.4	130.1	2.3	111.1	Q479 I495 T534 S536 E537 M585 I587 I591 I592 K593	Q479-R589 HydrophobicContact CB-CG 4.45Å; Q479-R589 PolarHBondContact OE1-O 2.82Å; I495-R589 HydrophobicContact CD1-CB 4.29Å; I495-R589 HydrophobicContact CD1-CG 3.3Å; T534-R589 VanDerWaalsContact O-CZ 3.31Å; T534-R589 PolarHBondContact O-NH1 2.89Å; T534-R589 PolarHBondContact O-NH2 3.07Å; S536-R589 WeakPolarHBondContact O-CD 3.48Å; S536-R589 PolarHBondContact O-NH1 3.03Å; E537-R589 HydrophobicContact CG-CB 4.06Å; M585-R589 WeakPolarHBondContact O-CG 3.43Å; M585-R589 PolarHBondContact O-N 3.37Å; I587-R589 VanDerWaalsContact C-N 3.33Å; I587-R589 PolarHBondContact O-N 3.48Å; R589-I591 PolarHBondContact O-N 3Å; R589-I592 PolarHBondContact O-N 3.05Å; R589-K593 VanDerWaalsContact O-CB 3.32Å; R589-K593 WeakPolarHBondContact O-CB 3.31Å; R589-K593 PolarHBondContact O-N 3.41Å
590	K	95.8	Very high	94.7	Very high	39 Å²	39	45.4 Å²	45.4	17%	0.17	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-43.5	-175.1	-178.8	65.9	163.7	77	0	112.2	A538 S539 I541 P586 I587 I592 K593 D594	A538-K590 HydrophobicContact CB-CB 4.16Å; A538-K590 HydrophobicContact CB-CG 4.45Å; A538-K590 WeakPolarHBondContact O-CD 3.46Å; A538-K590 WeakPolarHBondContact O-CE 3.26Å; A538-K590 WeakPolarHBondContact O-CG 3.35Å; S539-K590 WeakPolarHBondContact O-CE 3.5Å; I541-K590 HydrophobicContact CD1-CB 3.74Å; I541-K590 HydrophobicContact CD1-CG 3.63Å; I541-K590 HydrophobicContact CG1-CB 4.44Å; I541-K590 HydrophobicContact CG1-CG 3.99Å; P586-K590 WeakPolarHBondContact O-CB 3.45Å; P586-K590 PolarHBondContact O-N 3.27Å; I587-K590 PolarHBondContact O-N 3.1Å; I587-K590 VanDerWaalsContact O-N 3.17Å; K590-I592 PolarHBondContact O-N 2.85Å; K590-K593 PolarHBondContact O-N 3.5Å; K590-K593 VanDerWaalsContact O-N 3.16Å; K590-D594 IonicContact NZ-OD1 3.59Å; K590-D594 PolarHBondContact NZ-OD1 3.19Å; K590-D594 IonicContact NZ-OD2 3.06Å; K590-D594 PolarHBondContact NZ-OD2 3.31Å; K590-D594 PolarHBondContact O-N 3.33Å
591	I	96.2	Very high	94.5	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-54.9	-52.6	173.9	-68.1	167.7	0	0	0	111.7	I541 V573 I576 I587 R589 K593 D594 G595 V604 L607 F608	I541-I591 HydrophobicContact CD1-CD1 4.45Å; I541-I591 HydrophobicContact CD1-CG1 3.72Å; V573-I591 HydrophobicContact CB-CG2 3.95Å; V573-I591 HydrophobicContact CG1-CG2 4.14Å; V573-I591 HydrophobicContact CG2-CG2 4.2Å; I576-I591 HydrophobicContact CD1-CB 4.37Å; I576-I591 HydrophobicContact CD1-CD1 4.37Å; I576-I591 HydrophobicContact CD1-CG2 4.3Å; I587-I591 HydrophobicContact CG2-CD1 4Å; I587-I591 WeakPolarHBondContact O-CG1 3.34Å; I587-I591 PolarHBondContact O-N 3.36Å; R589-I591 PolarHBondContact O-N 3Å; I591-K593 VanDerWaalsContact C-N 3.27Å; I591-K593 PolarHBondContact O-N 3.18Å; I591-D594 PolarHBondContact O-N 3.22Å; I591-G595 PolarHBondContact O-N 3.14Å; I591-V604 HydrophobicContact CD1-CG1 3.77Å; I591-L607 HydrophobicContact CD1-CD1 4.19Å; I591-F608 HydrophobicContact CD1-CE2 3.73Å; I591-F608 HydrophobicContact CD1-CZ 3.82Å
592	I	96.1	Very high	94.2	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-68.7	-30	-179.2	-59.5	165.4	0	0	0	110.9	K446 I495 V573 I576 A588 R589 K590	K446-I592 WeakPolarHBondContact CE-O 3.48Å; K446-I592 PolarHBondContact NZ-O 3.06Å; I495-I592 HydrophobicContact CG1-CD1 4.32Å; I495-I592 HydrophobicContact CG2-CD1 3.77Å; V573-I592 HydrophobicContact CG1-CG1 4.1Å; I576-I592 HydrophobicContact CB-CD1 4.41Å; I576-I592 HydrophobicContact CD1-CD1 4.23Å; I576-I592 HydrophobicContact CD1-CG1 4.25Å; I576-I592 HydrophobicContact CG1-CD1 4.11Å; I576-I592 HydrophobicContact CG1-CG1 4.4Å; A588-I592 WeakPolarHBondContact O-CD1 3.42Å; A588-I592 WeakPolarHBondContact O-CG1 3.33Å; A588-I592 PolarHBondContact O-N 3.2Å; R589-I592 PolarHBondContact O-N 3.05Å; K590-I592 PolarHBondContact O-N 2.85Å
593	K	94.3	Very high	93.8	Very high	89 Å²	89	51.7 Å²	51.7	39%	0.387	25%	0.254	S	S	.	.	H	α-helix	trans	-72.7	-41.3	178	-173.6	173	-179.4	174.4	0	113	K446 E537 R589 K590 I591	K446-K593 WeakPolarHBondContact CE-O 3.39Å; K446-K593 PolarHBondContact NZ-O 2.87Å; E537-K593 VanDerWaalsContact OE1-CD 3.28Å; E537-K593 WeakPolarHBondContact OE1-CD 3.4Å; E537-K593 IonicContact OE1-NZ 2.74Å; E537-K593 PolarHBondContact OE1-NZ 3.38Å; E537-K593 WeakPolarHBondContact OE2-CD 3.42Å; E537-K593 WeakPolarHBondContact OE2-CE 3.4Å; E537-K593 IonicContact OE2-NZ 2.75Å; E537-K593 PolarHBondContact OE2-NZ 3.22Å; R589-K593 VanDerWaalsContact O-CB 3.32Å; R589-K593 WeakPolarHBondContact O-CB 3.31Å; R589-K593 PolarHBondContact O-N 3.41Å; K590-K593 PolarHBondContact O-N 3.5Å; K590-K593 VanDerWaalsContact O-N 3.16Å; I591-K593 VanDerWaalsContact C-N 3.27Å; I591-K593 PolarHBondContact O-N 3.18Å
594	D	94.2	Very high	93.7	Very high	69 Å²	69	49.2 Å²	49.2	37%	0.369	24%	0.241	S	C	.	.	H	α-helix	trans	-65.7	-51.3	174	-62.1	-30.6	0	0	0	108.5	K590 I591 E596	K590-D594 IonicContact NZ-OD1 3.59Å; K590-D594 PolarHBondContact NZ-OD1 3.19Å; K590-D594 IonicContact NZ-OD2 3.06Å; K590-D594 PolarHBondContact NZ-OD2 3.31Å; K590-D594 PolarHBondContact O-N 3.33Å; I591-D594 PolarHBondContact O-N 3.22Å; D594-E596 VanDerWaalsContact C-N 3.35Å; D594-E596 HydrophobicContact CB-CG 4.26Å
595	G	92.8	Very high	93.5	Very high	22 Å²	22	46 Å²	46	23%	0.227	23%	0.229	C	C	.	.			trans	70.2	32.9	177	0	0	0	0	0	112.9	V572 I591	V572-G595 VanDerWaalsContact CG1-O 3.31Å; V572-G595 WeakPolarHBondContact CG1-O 3.44Å; V572-G595 WeakPolarHBondContact CG2-O 3.3Å; I591-G595 PolarHBondContact O-N 3.14Å
596	E	93.2	Very high	93.2	Very high	129 Å²	129	47.8 Å²	47.8	60%	0.603	24%	0.237	S	C	*	.			trans	-72.6	164.7	173.8	-63.8	-174.5	168.1	0	0	111.5	D594	D594-E596 VanDerWaalsContact C-N 3.35Å; D594-E596 HydrophobicContact CB-CG 4.26Å
597	Q	94.4	Very high	93	Very high	117 Å²	117	47.5 Å²	47.5	55%	0.547	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-88.9	132.2	170.1	-67.7	-174.6	-0.5	0	0	109.3	D570 K571 V572	D570-Q597 PolarHBondContact O-NE2 3.07Å; K571-Q597 HydrophobicContact CB-CB 3.96Å; K571-Q597 HydrophobicContact CB-CG 3.98Å; V572-Q597 HydrophobicContact CG2-CG 3.79Å
598	H	90.9	Very high	92.8	Very high	43 Å²	43	45.9 Å²	45.9	20%	0.199	23%	0.226	C	C	.	.			trans	-108	123.1	175.6	-56.3	-71.9	0	0	0	109.8	K571 L601 V604	K571-H598 PolarHBondContact O-N 3.15Å; H598-L601 HydrophobicContact CB-CD2 3.72Å; H598-L601 HydrophobicContact CB-CG 4.21Å; H598-V604 HydrophobicContact CB-CG2 4.09Å
599	E	87.8	Confident	92.3	Very high	147 Å²	147	47.4 Å²	47.4	69%	0.687	23%	0.234	S	C	*	.	S	Bend	trans	-77.2	-32.7	176.8	-69.1	-61.3	152	0	0	112.4	K571	K571-E599 IonicContact NZ-OE1 2.64Å; K571-E599 PolarHBondContact NZ-OE1 3.47Å; K571-E599 IonicContact NZ-OE2 2.73Å; K571-E599 PolarHBondContact NZ-OE2 3.41Å
600	D	89.3	Confident	91.6	Very high	72 Å²	72	47.6 Å²	47.6	39%	0.385	24%	0.235	S	C	.	.			trans	-131.1	118.5	171.2	-167.2	-11.6	0	0	0	110.8	N602 E603	D600-N602 VanDerWaalsContact OD1-CB 3.29Å; D600-N602 WeakPolarHBondContact OD1-CB 3.4Å; D600-N602 PolarHBondContact OD1-N 3.27Å; D600-N602 PolarHBondContact OD1-ND2 2.98Å; D600-E603 HydrophobicContact CB-CG 4.3Å
601	L	92.6	Very high	90.5	Very high	14 Å²	14	47.8 Å²	47.8	7%	0.073	24%	0.237	C	C	.	.	H	α-helix	trans	-87.7	-9.4	178.3	-72.8	165.5	0	0	0	113.2	V505 F566 L568 V573 H598 V604 A605	V505-L601 HydrophobicContact CB-CD1 3.87Å; V505-L601 HydrophobicContact CG1-CB 4.13Å; V505-L601 HydrophobicContact CG1-CD1 4.34Å; V505-L601 HydrophobicContact CG2-CD1 3.92Å; F566-L601 HydrophobicContact CB-CD1 4.24Å; F566-L601 HydrophobicContact CB-CD2 4.48Å; F566-L601 HydrophobicContact CD1-CD2 4.28Å; F566-L601 HydrophobicContact CD2-CB 4.05Å; F566-L601 HydrophobicContact CD2-CD1 4.4Å; F566-L601 HydrophobicContact CD2-CD2 4.1Å; F566-L601 HydrophobicContact CD2-CG 4.42Å; F566-L601 HydrophobicContact CE2-CB 4.2Å; F566-L601 HydrophobicContact CE2-CD2 4.39Å; F566-L601 HydrophobicContact CG-CD1 4.47Å; F566-L601 HydrophobicContact CG-CD2 4.04Å; L568-L601 HydrophobicContact CD1-CD1 3.84Å; L568-L601 HydrophobicContact CD2-CD1 3.84Å; L568-L601 HydrophobicContact CG-CD1 4.43Å; V573-L601 HydrophobicContact CG2-CD2 3.95Å; H598-L601 HydrophobicContact CB-CD2 3.72Å; H598-L601 HydrophobicContact CB-CG 4.21Å; L601-V604 HydrophobicContact CD2-CB 4.21Å; L601-V604 HydrophobicContact CD2-CG1 4.5Å; L601-V604 HydrophobicContact CD2-CG2 4.15Å; L601-V604 PolarHBondContact O-N 3.02Å; L601-A605 WeakPolarHBondContact O-CB 3.44Å; L601-A605 PolarHBondContact O-N 3.42Å
602	N	89.4	Confident	88.7	Confident	78 Å²	78	53.3 Å²	53.3	42%	0.417	26%	0.262	S	S	.	.	H	α-helix	trans	-70.5	-38.6	169.9	-56.4	-81.4	0	0	0	110.4	D600 A605 K606	D600-N602 VanDerWaalsContact OD1-CB 3.29Å; D600-N602 WeakPolarHBondContact OD1-CB 3.4Å; D600-N602 PolarHBondContact OD1-N 3.27Å; D600-N602 PolarHBondContact OD1-ND2 2.98Å; N602-A605 WeakPolarHBondContact O-CB 3.32Å; N602-A605 PolarHBondContact O-N 3.12Å; N602-K606 PolarHBondContact O-N 3.12Å
603	E	88.4	Confident	86.3	Confident	71 Å²	71	61.9 Å²	61.9	33%	0.332	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-42.1	171.7	-67.3	-59.8	127.1	0	0	111.4	I543 D600 A605 K606	I543-E603 HydrophobicContact CD1-CB 4.19Å; I543-E603 HydrophobicContact CG2-CB 4.48Å; I543-E603 WeakPolarHBondContact CG2-O 3.39Å; D600-E603 HydrophobicContact CB-CG 4.3Å; E603-A605 VanDerWaalsContact C-N 3.29Å; E603-A605 PolarHBondContact O-N 2.99Å; E603-K606 WeakPolarHBondContact O-CB 3.49Å; E603-K606 PolarHBondContact O-N 3.08Å; E603-K606 VanDerWaalsContact OE1-CE 3.31Å; E603-K606 WeakPolarHBondContact OE1-CE 3.36Å; E603-K606 IonicContact OE1-NZ 2.79Å; E603-K606 PolarHBondContact OE1-NZ 2.99Å; E603-K606 WeakPolarHBondContact OE2-CE 3.37Å; E603-K606 IonicContact OE2-NZ 2.72Å; E603-K606 PolarHBondContact OE2-NZ 3.02Å
604	V	91.6	Very high	85.9	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.024	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-33.2	173.7	-176.8	0	0	0	0	111.6	F566 I591 H598 L601 K606 L607	F566-V604 HydrophobicContact CE1-CG1 3.81Å; F566-V604 HydrophobicContact CZ-CB 4.2Å; F566-V604 HydrophobicContact CZ-CG1 3.77Å; I591-V604 HydrophobicContact CD1-CG1 3.77Å; H598-V604 HydrophobicContact CB-CG2 4.09Å; L601-V604 HydrophobicContact CD2-CB 4.21Å; L601-V604 HydrophobicContact CD2-CG1 4.5Å; L601-V604 HydrophobicContact CD2-CG2 4.15Å; L601-V604 PolarHBondContact O-N 3.02Å; V604-K606 PolarHBondContact O-N 3.43Å; V604-L607 HydrophobicContact CG1-CD1 4.06Å; V604-L607 VanDerWaalsContact O-CB 3.3Å; V604-L607 WeakPolarHBondContact O-CB 3.34Å; V604-L607 WeakPolarHBondContact O-CD1 3.28Å; V604-L607 WeakPolarHBondContact O-CG 3.32Å; V604-L607 PolarHBondContact O-N 2.83Å
605	A	92.6	Very high	85.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.9	-23.4	177.9	0	0	0	0	0	113.8	V507 V564 F566 L601 N602 E603 L607 F608 I610	V507-A605 HydrophobicContact CB-CB 3.72Å; V507-A605 HydrophobicContact CG1-CB 3.83Å; V507-A605 HydrophobicContact CG2-CB 3.82Å; V564-A605 HydrophobicContact CG1-CB 3.84Å; F566-A605 HydrophobicContact CE2-CB 4.33Å; L601-A605 WeakPolarHBondContact O-CB 3.44Å; L601-A605 PolarHBondContact O-N 3.42Å; N602-A605 WeakPolarHBondContact O-CB 3.32Å; N602-A605 PolarHBondContact O-N 3.12Å; E603-A605 VanDerWaalsContact C-N 3.29Å; E603-A605 PolarHBondContact O-N 2.99Å; A605-L607 PolarHBondContact O-N 3.47Å; A605-F608 PolarHBondContact O-N 3.01Å; A605-I610 HydrophobicContact CB-CB 4.44Å; A605-I610 HydrophobicContact CB-CG1 4.16Å; A605-I610 VanDerWaalsContact O-CG1 3.27Å; A605-I610 WeakPolarHBondContact O-CG1 3.44Å
606	K	89.9	Confident	85.1	Confident	38 Å²	38	62.2 Å²	62.2	17%	0.165	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-58.5	-31.3	174.2	-64.5	175.3	-176.9	173.8	0	113	I543 P544 N602 E603 V604 F608 N609	I543-K606 HydrophobicContact CG2-CD 4.24Å; P544-K606 HydrophobicContact CG-CB 3.88Å; N602-K606 PolarHBondContact O-N 3.12Å; E603-K606 WeakPolarHBondContact O-CB 3.49Å; E603-K606 PolarHBondContact O-N 3.08Å; E603-K606 VanDerWaalsContact OE1-CE 3.31Å; E603-K606 WeakPolarHBondContact OE1-CE 3.36Å; E603-K606 IonicContact OE1-NZ 2.79Å; E603-K606 PolarHBondContact OE1-NZ 2.99Å; E603-K606 WeakPolarHBondContact OE2-CE 3.37Å; E603-K606 IonicContact OE2-NZ 2.72Å; E603-K606 PolarHBondContact OE2-NZ 3.02Å; V604-K606 PolarHBondContact O-N 3.43Å; K606-F608 PolarHBondContact O-N 3.33Å; K606-F608 VanDerWaalsContact O-N 3.14Å; K606-N609 PolarHBondContact O-N 2.91Å; K606-N609 VanDerWaalsContact O-N 3.12Å
607	L	92.4	Very high	84.6	Confident	17 Å²	17	58.2 Å²	58.2	9%	0.089	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-62.9	-17.2	176.3	-56.3	168.8	0	0	0	113.5	I541 A542 I543 R584 I587 I591 V604 A605	I541-L607 HydrophobicContact CG2-CD1 3.3Å; I541-L607 HydrophobicContact CG2-CD2 3.62Å; I541-L607 HydrophobicContact CG2-CG 4.09Å; A542-L607 WeakPolarHBondContact O-CD2 3.37Å; I543-L607 HydrophobicContact CG1-CD1 4.4Å; I543-L607 HydrophobicContact CG1-CD2 4.2Å; I543-L607 HydrophobicContact CG1-CG 4.37Å; R584-L607 WeakPolarHBondContact CD-O 3.42Å; I587-L607 WeakPolarHBondContact CD1-O 3.38Å; I587-L607 HydrophobicContact CG2-CB 3.98Å; I587-L607 HydrophobicContact CG2-CD1 4.25Å; I591-L607 HydrophobicContact CD1-CD1 4.19Å; V604-L607 HydrophobicContact CG1-CD1 4.06Å; V604-L607 VanDerWaalsContact O-CB 3.3Å; V604-L607 WeakPolarHBondContact O-CB 3.34Å; V604-L607 WeakPolarHBondContact O-CD1 3.28Å; V604-L607 WeakPolarHBondContact O-CG 3.32Å; V604-L607 PolarHBondContact O-N 2.83Å; A605-L607 PolarHBondContact O-N 3.47Å
608	F	93.3	Very high	84	Confident	1 Å²	1	54.6 Å²	54.6	0%	0.004	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-106.3	16.2	-179.8	-62.5	-81.9	0	0	0	112.6	V564 F566 I576 L578 I581 R584 I587 A588 I591 A605 K606 I610	V564-F608 HydrophobicContact CB-CB 4.47Å; V564-F608 HydrophobicContact CB-CD2 4.43Å; V564-F608 HydrophobicContact CB-CG 4.38Å; V564-F608 HydrophobicContact CG1-CD2 4.39Å; V564-F608 HydrophobicContact CG2-CD2 4.08Å; V564-F608 HydrophobicContact CG2-CE2 4.26Å; V564-F608 HydrophobicContact CG2-CG 4.31Å; F566-F608 HydrophobicContact CE1-CE2 4.01Å; F566-F608 HydrophobicContact CZ-CD2 4.3Å; F566-F608 HydrophobicContact CZ-CE2 4.09Å; I576-F608 HydrophobicContact CD1-CZ 4.29Å; L578-F608 HydrophobicContact CD1-CD1 4.38Å; L578-F608 HydrophobicContact CD1-CE1 4.36Å; L578-F608 HydrophobicContact CD2-CD1 3.53Å; L578-F608 HydrophobicContact CD2-CE1 3.75Å; L578-F608 HydrophobicContact CD2-CG 4.26Å; I581-F608 HydrophobicContact CD1-CB 4.23Å; I581-F608 HydrophobicContact CG2-CB 4.4Å; R584-F608 HydrophobicContact CB-CD1 3.85Å; R584-F608 HydrophobicContact CB-CE1 4.18Å; R584-F608 HydrophobicContact CG-CD1 4.39Å; I587-F608 HydrophobicContact CB-CE1 4.37Å; I587-F608 HydrophobicContact CB-CZ 4.38Å; I587-F608 HydrophobicContact CG2-CE1 4.31Å; I587-F608 HydrophobicContact CG2-CE2 4.34Å; I587-F608 HydrophobicContact CG2-CZ 3.91Å; A588-F608 HydrophobicContact CB-CE1 4.11Å; A588-F608 HydrophobicContact CB-CZ 4.16Å; I591-F608 HydrophobicContact CD1-CE2 3.73Å; I591-F608 HydrophobicContact CD1-CZ 3.82Å; A605-F608 PolarHBondContact O-N 3.01Å; K606-F608 PolarHBondContact O-N 3.33Å; K606-F608 VanDerWaalsContact O-N 3.14Å; F608-I610 VanDerWaalsContact C-N 3.26Å; F608-I610 HydrophobicContact CB-CG1 4.15Å; F608-I610 PolarHBondContact O-N 2.66Å
609	N	87.4	Confident	83.5	Confident	31 Å²	31	55.3 Å²	55.3	17%	0.166	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	39	175.6	-57.2	56	0	0	0	112.7	K562 R584 K606 H611 E612	K562-N609 WeakPolarHBondContact CE-O 3.44Å; K562-N609 PolarHBondContact NZ-O 2.92Å; K562-N609 VanDerWaalsContact NZ-O 3.13Å; R584-N609 VanDerWaalsContact CZ-OD1 3.27Å; R584-N609 PolarHBondContact NE-OD1 2.82Å; R584-N609 PolarHBondContact NH2-ND2 3.05Å; R584-N609 PolarHBondContact NH2-OD1 2.95Å; K606-N609 PolarHBondContact O-N 2.91Å; K606-N609 VanDerWaalsContact O-N 3.12Å; N609-H611 VanDerWaalsContact C-N 3.31Å; N609-E612 PolarHBondContact ND2-OE1 3.17Å; N609-E612 PolarHBondContact ND2-OE2 2.64Å
610	I	82.1	Confident	83.2	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.036	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-19	176	-62	-66.7	0	0	0	112.2	V507 A509 V564 I581 A605 F608	V507-I610 HydrophobicContact CG1-CG2 3.9Å; A509-I610 HydrophobicContact CB-CG2 4.06Å; A509-I610 WeakPolarHBondContact CB-O 3.46Å; V564-I610 HydrophobicContact CG1-CD1 4.18Å; V564-I610 HydrophobicContact CG1-CG1 4.05Å; I581-I610 HydrophobicContact CD1-CD1 3.43Å; I581-I610 VanDerWaalsContact CD1-CD1 3.43Å; I581-I610 HydrophobicContact CD1-CG1 4.45Å; A605-I610 HydrophobicContact CB-CB 4.44Å; A605-I610 HydrophobicContact CB-CG1 4.16Å; A605-I610 VanDerWaalsContact O-CG1 3.27Å; A605-I610 WeakPolarHBondContact O-CG1 3.44Å; F608-I610 VanDerWaalsContact C-N 3.26Å; F608-I610 HydrophobicContact CB-CG1 4.15Å; F608-I610 PolarHBondContact O-N 2.66Å
611	H	70.7	Confident	82.8	Confident	43 Å²	43	47 Å²	47	20%	0.199	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	24.9	-171.1	-55.6	-80.4	0	0	0	113.2	N609	N609-H611 VanDerWaalsContact C-N 3.31Å
612	E	58.6	Low	82	Confident	122 Å²	122	49.8 Å²	49.8	57%	0.57	25%	0.249	S	C	*	.			trans	-99.7	138	169.5	-68.7	175.2	-179	0	0	108.9	N609	N609-E612 PolarHBondContact ND2-OE1 3.17Å; N609-E612 PolarHBondContact ND2-OE2 2.64Å
613	D	47	Very low	81.3	Confident	185 Å²	185	47.2 Å²	47.2	99%	0.989	23%	0.234	S	C	*	.			trans	-73.6	0	-176.5	-63.6	-63.4	0	0	0	113.7

Retrieved 613 of 613 residues in 108.8 ms (Link to these results)

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