A0A093KB30_STRCA Loading...

Kelch-like 31

AlphaFold DB , UniProt , Accession A0A093KB30, Species STRCA (Struthio camelus australis), Gene n/a, Length 634 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	31.2	Very low	243 Å²	243	170.2 Å²	170.2	100%	1.197	86%	0.859	S	S	*	*				0	106.1	0	-67.4	174.7	-158.3	0	0	106.8
2	A	27.8	Very low	31.6	Very low	96 Å²	96	172 Å²	172	79%	0.793	86%	0.857	S	S	*	*				125.8	148.8	105.9	0	0	0	0	0	107.1
3	P	41.4	Very low	31.8	Very low	128 Å²	128	168.8 Å²	168.8	83%	0.831	85%	0.853	S	S	*	*				-129.7	177.3	-109.5	33.6	-14.5	0	0	0	117.1
4	K	38.8	Very low	31.9	Very low	202 Å²	202	167.1 Å²	167.1	88%	0.878	85%	0.848	S	S	*	*			trans	-40.4	153.5	169.2	-63.6	173.4	172.5	176.5	0	116.9
5	K	31	Very low	32.3	Very low	191 Å²	191	166.5 Å²	166.5	83%	0.83	85%	0.845	S	S	*	*			trans	-172.4	115.1	133.7	-104.5	169.1	-173.8	179.6	0	110.8
6	K	29.8	Very low	32.6	Very low	198 Å²	198	165.9 Å²	165.9	86%	0.861	84%	0.844	S	S	*	*				91.7	114	100.7	-90.7	-169.4	176.5	-173.4	0	114.4
7	N	30.6	Very low	33	Very low	160 Å²	160	166.9 Å²	166.9	86%	0.856	85%	0.845	S	S	*	*			trans	-72.8	148.3	160.6	-89.8	-24.3	0	0	0	111.1
8	V	27.9	Very low	33.4	Very low	132 Å²	132	165.4 Å²	165.4	80%	0.8	84%	0.837	S	S	*	*				176.1	120	119.3	166.5	0	0	0	0	112
9	K	29.3	Very low	33.8	Very low	196 Å²	196	163.4 Å²	163.4	85%	0.852	83%	0.833	S	S	*	*			trans	32.2	138.6	147.7	-68.1	-175.7	173.1	179.5	0	125.2
10	K	27	Very low	34.5	Very low	189 Å²	189	161.1 Å²	161.1	82%	0.822	82%	0.822	S	S	*	*			trans	128.4	136.5	136.7	-77.4	-172.4	175.9	179.3	0	110.6
11	N	26.8	Very low	35.1	Very low	137 Å²	137	160 Å²	160	73%	0.733	82%	0.816	S	S	*	*			cis	-150.2	148	8.5	-97.4	-14	0	0	0	107.9
12	K	36.6	Very low	35.8	Very low	192 Å²	192	153 Å²	153	84%	0.835	79%	0.788	S	S	*	*			trans	-75.7	131.2	163.2	-93.9	-178.4	168	-171.7	0	108.7
13	T	33.1	Very low	36.9	Very low	130 Å²	130	156.7 Å²	156.7	80%	0.798	79%	0.788	S	S	*	*			trans	-131.2	113.3	158.4	32.3	0	0	0	0	106.7
14	D	34.1	Very low	37.3	Very low	146 Å²	146	159.2 Å²	159.2	78%	0.781	80%	0.795	S	S	*	*			trans	-62.7	130.7	175.4	-63.6	-49.9	0	0	0	109.8
15	I	38	Very low	38	Very low	157 Å²	157	151.7 Å²	151.7	81%	0.805	78%	0.775	S	S	*	*			trans	-96.7	109.5	167.8	-63	174.3	0	0	0	105.9	E17	I15-E17 PolarHBondContact O-N 3.48Å
16	N	36.4	Very low	38.9	Very low	157 Å²	157	146.5 Å²	146.5	84%	0.84	76%	0.76	S	S	*	*			trans	-67.2	110.4	167.1	-92	-10.9	0	0	0	108.5	M18	N16-M18 PolarHBondContact O-N 3.37Å
17	E	38.8	Very low	40.2	Very low	183 Å²	183	144.3 Å²	144.3	86%	0.855	76%	0.757	S	S	*	*			trans	-68.7	115.3	164.2	-81	-178.5	156.4	0	0	109.1	I15 T19	I15-E17 PolarHBondContact O-N 3.48Å; E17-T19 PolarHBondContact O-N 2.62Å
18	M	41.4	Very low	41.2	Very low	141 Å²	141	141.9 Å²	141.9	70%	0.695	75%	0.753	S	S	*	*			trans	-85.7	103.7	174.2	-134.7	172.4	-177.2	0	0	108.1	N16 I20 L37	N16-M18 PolarHBondContact O-N 3.37Å; M18-I20 PolarHBondContact O-N 2.9Å; M18-L37 HydrophobicContact CE-CD2 4.24Å; M18-L37 HydrophobicContact SD-CD2 4.07Å
19	T	39.7	Very low	42.2	Very low	126 Å²	126	142.9 Å²	142.9	77%	0.773	75%	0.746	S	S	*	*			trans	-74.6	111	174.7	-39.2	0	0	0	0	109.2	E17 I21	E17-T19 PolarHBondContact O-N 2.62Å; T19-I21 PolarHBondContact O-N 3.22Å
20	I	48.9	Very low	43.3	Very low	117 Å²	117	137.7 Å²	137.7	60%	0.6	73%	0.727	S	S	*	*			trans	-84.3	111.9	176.3	-56.8	176.2	0	0	0	108.2	M18	M18-I20 PolarHBondContact O-N 2.9Å
21	I	45.9	Very low	44.5	Very low	138 Å²	138	135.8 Å²	135.8	71%	0.708	73%	0.726	S	S	*	*			trans	-87.8	118.7	171.1	-57.9	174.7	0	0	0	107.2	T19 E23	T19-I21 PolarHBondContact O-N 3.22Å; I21-E23 PolarHBondContact O-N 2.79Å
22	V	49.5	Very low	45.7	Very low	98 Å²	98	131.5 Å²	131.5	59%	0.594	71%	0.714	S	S	*	*			trans	-87.3	106	173.8	-178.7	0	0	0	0	107.7	L30	V22-L30 HydrophobicContact CG1-CD2 3.87Å
23	E	51	Low	46.5	Very low	172 Å²	172	125.9 Å²	125.9	80%	0.804	69%	0.693	S	S	*	*			trans	-75.4	149.6	168.8	-72.4	-172.6	160.7	0	0	110.8	I21 G25	I21-E23 PolarHBondContact O-N 2.79Å; E23-G25 PolarHBondContact O-N 3.21Å
24	D	48.2	Very low	47.3	Very low	182 Å²	182	126.5 Å²	126.5	97%	0.973	69%	0.691	S	S	*	*	S	Bend	trans	-67.5	66	176.4	-80.9	-34.3	0	0	0	112.1
25	G	53.8	Low	48.1	Very low	44 Å²	44	123 Å²	123	45%	0.454	69%	0.69	S	S	.	*			trans	-93.7	163.1	168.8	0	0	0	0	0	112.3	E23 L27	E23-G25 PolarHBondContact O-N 3.21Å; G25-L27 PolarHBondContact O-N 3.09Å
26	P	49.6	Very low	48.6	Very low	82 Å²	82	121.2 Å²	121.2	53%	0.532	68%	0.682	S	S	.	*			trans	-57.1	131.2	173.8	21.2	-29.8	0	0	0	110.5	S28 K29	P26-S28 PolarHBondContact O-N 2.49Å; P26-K29 HydrophobicContact CG-CD 4.32Å; P26-K29 HydrophobicContact CG-CG 4.49Å; P26-K29 PolarHBondContact O-N 2.99Å
27	L	58.1	Low	49.3	Very low	152 Å²	152	117.8 Å²	117.8	80%	0.796	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-49.2	-23.4	-174.5	-86.8	137.1	0	0	0	114.8	G25 K29 L30	G25-L27 PolarHBondContact O-N 3.09Å; L27-K29 PolarHBondContact O-N 3.14Å; L27-L30 HydrophobicContact CD2-CD1 3.77Å; L27-L30 HydrophobicContact CG-CD1 4.26Å; L27-L30 PolarHBondContact O-N 3.12Å
28	S	51	Low	49.8	Very low	108 Å²	108	118.5 Å²	118.5	76%	0.755	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-65.8	-14.1	174.7	55.9	0	0	0	0	114.8	P26	P26-S28 PolarHBondContact O-N 2.49Å
29	K	49.3	Very low	50.2	Low	153 Å²	153	115 Å²	115	67%	0.665	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-97.8	-7.2	177.8	-69.1	-173	176.1	-176.4	0	114.2	P26 L27 N31 G32	P26-K29 HydrophobicContact CG-CD 4.32Å; P26-K29 HydrophobicContact CG-CG 4.49Å; P26-K29 PolarHBondContact O-N 2.99Å; L27-K29 PolarHBondContact O-N 3.14Å; K29-N31 VanDerWaalsContact C-N 3.34Å; K29-N31 PolarHBondContact O-N 3.45Å; K29-G32 PolarHBondContact O-N 2.89Å; K29-G32 VanDerWaalsContact O-N 3.08Å
30	L	52.6	Low	50.6	Low	87 Å²	87	113 Å²	113	46%	0.455	67%	0.67	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.6	-34.4	-178.2	-95.9	154.4	0	0	0	113.4	V22 L27 G32	V22-L30 HydrophobicContact CG1-CD2 3.87Å; L27-L30 HydrophobicContact CD2-CD1 3.77Å; L27-L30 HydrophobicContact CG-CD1 4.26Å; L27-L30 PolarHBondContact O-N 3.12Å; L30-G32 VanDerWaalsContact C-N 3.29Å
31	N	52.1	Low	50.7	Low	149 Å²	149	113.9 Å²	113.9	80%	0.797	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-9.4	175.8	-70.4	-11.2	0	0	0	113	K29 L33	K29-N31 VanDerWaalsContact C-N 3.34Å; K29-N31 PolarHBondContact O-N 3.45Å; N31-L33 VanDerWaalsContact C-N 3.3Å; N31-L33 PolarHBondContact O-N 3.13Å
32	G	52.8	Low	51	Low	47 Å²	47	111.4 Å²	111.4	49%	0.485	69%	0.685	S	S	.	*			trans	-86.7	58.6	175.8	0	0	0	0	0	112.1	K29 L30 N34	K29-G32 PolarHBondContact O-N 2.89Å; K29-G32 VanDerWaalsContact O-N 3.08Å; L30-G32 VanDerWaalsContact C-N 3.29Å; G32-N34 PolarHBondContact O-N 2.79Å
33	L	51.8	Low	51.1	Low	74 Å²	74	114.5 Å²	114.5	39%	0.387	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-65	6.7	173	-91.8	159.4	0	0	0	114	N31 G35 L36	N31-L33 VanDerWaalsContact C-N 3.3Å; N31-L33 PolarHBondContact O-N 3.13Å; L33-G35 PolarHBondContact O-N 2.94Å; L33-G35 VanDerWaalsContact O-N 3.1Å; L33-L36 HydrophobicContact CD2-CB 4.39Å; L33-L36 PolarHBondContact O-N 2.86Å
34	N	49.8	Very low	51.3	Low	143 Å²	143	112.8 Å²	112.8	77%	0.765	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-65	-11	-178.7	-75.2	-18.2	0	0	0	114.6	G32	G32-N34 PolarHBondContact O-N 2.79Å
35	G	51.1	Low	51.4	Low	74 Å²	74	108.2 Å²	108.2	76%	0.763	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-99.5	-6.9	178.5	0	0	0	0	0	116	L33	L33-G35 PolarHBondContact O-N 2.94Å; L33-G35 VanDerWaalsContact O-N 3.1Å
36	L	48.9	Very low	51.7	Low	119 Å²	119	111.9 Å²	111.9	62%	0.623	69%	0.687	S	S	*	*	S	Bend	trans	-117.7	4.8	-169.5	-83.4	163	0	0	0	114.7	L33	L33-L36 HydrophobicContact CD2-CB 4.39Å; L33-L36 PolarHBondContact O-N 2.86Å
37	L	51.8	Low	52.3	Low	85 Å²	85	111.2 Å²	111.2	45%	0.445	68%	0.684	S	S	.	*			trans	-121.6	65.2	-178.5	-66.9	170.3	0	0	0	111.6	M18 G39 I46	M18-L37 HydrophobicContact CE-CD2 4.24Å; M18-L37 HydrophobicContact SD-CD2 4.07Å; L37-G39 PolarHBondContact O-N 3.5Å; L37-I46 HydrophobicContact CD1-CG2 3.86Å
38	E	48.3	Very low	52.7	Low	198 Å²	198	108.3 Å²	108.3	93%	0.925	68%	0.677	S	S	*	*			trans	-81.1	101.3	156.9	-78.2	-167.5	162.5	0	0	108.7
39	G	49.5	Very low	53.8	Low	66 Å²	66	112.2 Å²	112.2	68%	0.68	68%	0.683	S	S	*	*			trans	167.2	86.1	170.7	0	0	0	0	0	118.1	L37 N41	L37-G39 PolarHBondContact O-N 3.5Å; G39-N41 PolarHBondContact O-N 2.94Å
40	G	49.2	Very low	55.2	Low	84 Å²	84	111.1 Å²	111.1	87%	0.866	69%	0.689	S	S	*	*				82.3	-2.5	122.4	0	0	0	0	0	122.8
41	N	49.7	Very low	56.7	Low	136 Å²	136	112.2 Å²	112.2	73%	0.727	70%	0.704	S	S	*	*			trans	-109.7	21.3	-171.2	-83.5	-7.7	0	0	0	117.9	G39 F43	G39-N41 PolarHBondContact O-N 2.94Å; N41-F43 HydrophobicContact CB-CD2 4.27Å; N41-F43 HydrophobicContact CB-CE2 4.48Å; N41-F43 WeakPolarHBondContact O-CD2 3.45Å; N41-F43 PolarHBondContact O-N 2.82Å
42	G	53.5	Low	58.4	Low	87 Å²	87	109.7 Å²	109.7	90%	0.897	69%	0.69	S	S	*	*			trans	62	11.5	161.8	0	0	0	0	0	117.8
43	F	51	Low	60.1	Low	163 Å²	163	113 Å²	113	72%	0.715	71%	0.706	S	S	*	*			trans	-85.1	127.3	171.8	-68.8	-77.1	0	0	0	110.1	N41 C45	N41-F43 HydrophobicContact CB-CD2 4.27Å; N41-F43 HydrophobicContact CB-CE2 4.48Å; N41-F43 WeakPolarHBondContact O-CD2 3.45Å; N41-F43 PolarHBondContact O-N 2.82Å; F43-C45 VanDerWaalsContact C-N 3.32Å; F43-C45 PolarHBondContact O-N 2.89Å
44	S	54.8	Low	62	Low	135 Å²	135	111.8 Å²	111.8	94%	0.944	70%	0.704	S	S	*	*	S	Bend	trans	-79.8	-8.3	-177.7	56.4	0	0	0	0	114.6
45	C	50.8	Low	63.9	Low	86 Å²	86	112 Å²	112	58%	0.581	70%	0.695	S	S	*	*			trans	-141.1	112.2	172	-175.5	0	0	0	0	108.4	F43	F43-C45 VanDerWaalsContact C-N 3.32Å; F43-C45 PolarHBondContact O-N 2.89Å
46	I	61.1	Low	65.7	Low	122 Å²	122	112 Å²	112	63%	0.626	68%	0.684	S	S	*	*	S	Bend	trans	-97.8	-16.8	-173.7	-49.1	172.4	0	0	0	110.9	L37	L37-I46 HydrophobicContact CD1-CG2 3.86Å
47	S	61.4	Low	67.6	Low	68 Å²	68	109.8 Å²	109.8	48%	0.476	68%	0.676	S	S	.	*			trans	-156.3	135.2	173.9	60.3	0	0	0	0	111
48	S	66.1	Low	69.5	Low	90 Å²	90	110.1 Å²	110.1	63%	0.629	68%	0.678	S	S	*	*			trans	-124.1	127.9	169.7	51.9	0	0	0	0	109.9
49	E	73.5	Confident	71.7	Confident	191 Å²	191	104.8 Å²	104.8	89%	0.893	66%	0.656	S	S	*	*			trans	-71.1	131.2	172.1	-171.9	172.6	-166.9	0	0	109.6
50	V	80.4	Confident	73.8	Confident	129 Å²	129	104.3 Å²	104.3	78%	0.782	64%	0.637	S	S	*	*			trans	-121.9	131.1	178.5	-175.6	0	0	0	0	108.1
51	S	83.2	Confident	75.9	Confident	111 Å²	111	106.9 Å²	106.9	78%	0.776	63%	0.627	S	S	*	*			trans	-112.7	133.4	-179.7	60.4	0	0	0	0	111.5
52	D	87.1	Confident	78	Confident	96 Å²	96	101.1 Å²	101.1	51%	0.513	60%	0.6	S	S	.	*			trans	-95.4	109.2	168.7	177.3	5.2	0	0	0	110.1	S54 Y55	D52-S54 VanDerWaalsContact CG-OG 3.28Å; D52-S54 PolarHBondContact O-N 3.11Å; D52-S54 WeakPolarHBondContact OD1-CA 3.4Å; D52-S54 WeakPolarHBondContact OD1-CB 3.4Å; D52-S54 PolarHBondContact OD1-N 3.28Å; D52-S54 PolarHBondContact OD1-OG 3.14Å; D52-S54 PolarHBondContact OD2-OG 3.5Å; D52-Y55 WeakPolarHBondContact O-CB 3.3Å; D52-Y55 PolarHBondContact O-N 2.73Å
53	S	89	Confident	80	Confident	116 Å²	116	99 Å²	99	81%	0.811	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-17.4	179.1	56.3	0	0	0	0	113.8	P57	S53-P57 WeakPolarHBondContact O-CD 3.44Å
54	S	90.9	Very high	82.1	Confident	49 Å²	49	91.9 Å²	91.9	34%	0.343	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-15	179	75.9	0	0	0	0	113.7	D52 P57 N58	D52-S54 VanDerWaalsContact CG-OG 3.28Å; D52-S54 PolarHBondContact O-N 3.11Å; D52-S54 WeakPolarHBondContact OD1-CA 3.4Å; D52-S54 WeakPolarHBondContact OD1-CB 3.4Å; D52-S54 PolarHBondContact OD1-N 3.28Å; D52-S54 PolarHBondContact OD1-OG 3.14Å; D52-S54 PolarHBondContact OD2-OG 3.5Å; S54-P57 WeakPolarHBondContact O-CD 3.17Å; S54-N58 WeakPolarHBondContact O-CB 3.48Å; S54-N58 PolarHBondContact O-N 3.18Å; S54-N58 PolarHBondContact O-ND2 3.18Å
55	Y	91.3	Very high	84.1	Confident	146 Å²	146	92.7 Å²	92.7	57%	0.573	52%	0.521	S	S	*	.	H	α-helix	trans	-59.3	-52.2	-177.5	178.5	-98.7	0	0	0	112.6	D52 N58 L59	D52-Y55 WeakPolarHBondContact O-CB 3.3Å; D52-Y55 PolarHBondContact O-N 2.73Å; Y55-N58 PolarHBondContact O-N 3.06Å; Y55-L59 HydrophobicContact CE1-CD2 4.29Å; Y55-L59 WeakPolarHBondContact O-CB 3.48Å; Y55-L59 PolarHBondContact O-N 2.91Å
56	S	87.4	Confident	86.2	Confident	76 Å²	76	91.6 Å²	91.6	53%	0.531	51%	0.508	S	S	.	.	H	α-helix	trans	-63.6	-45.4	-177.3	-50.6	0	0	0	0	113.1	N58 L59 L60	S56-N58 PolarHBondContact O-N 2.72Å; S56-L59 PolarHBondContact O-N 2.76Å; S56-L60 WeakPolarHBondContact O-CG 3.46Å; S56-L60 PolarHBondContact O-N 2.95Å; S56-L60 VanDerWaalsContact O-N 3.1Å
57	P	89.6	Confident	87.9	Confident	72 Å²	72	88.2 Å²	88.2	47%	0.468	49%	0.487	S	S	.	.	H	α-helix	trans	-56.9	-45.1	170.8	-26.4	34.2	0	0	0	113.8	S53 S54 L59 L60 E61	S53-P57 WeakPolarHBondContact O-CD 3.44Å; S54-P57 WeakPolarHBondContact O-CD 3.17Å; P57-L59 VanDerWaalsContact C-N 3.35Å; P57-L59 PolarHBondContact O-N 2.89Å; P57-L60 PolarHBondContact O-N 3.07Å; P57-E61 WeakPolarHBondContact O-CB 3.26Å; P57-E61 PolarHBondContact O-N 3.4Å
58	N	92.1	Very high	89.5	Confident	91 Å²	91	91.7 Å²	91.7	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-65.2	-38	-179.4	-69.7	-16.8	0	0	0	112	S54 Y55 S56 E61 G62	S54-N58 WeakPolarHBondContact O-CB 3.48Å; S54-N58 PolarHBondContact O-N 3.18Å; S54-N58 PolarHBondContact O-ND2 3.18Å; Y55-N58 PolarHBondContact O-N 3.06Å; S56-N58 PolarHBondContact O-N 2.72Å; N58-E61 PolarHBondContact O-N 3.32Å; N58-G62 PolarHBondContact O-N 2.9Å
59	L	93.6	Very high	90.9	Very high	86 Å²	86	93.4 Å²	93.4	45%	0.45	49%	0.494	S	S	.	.	H	α-helix	trans	-63.3	-46.6	175.1	178.4	62.7	0	0	0	111.5	Y55 S56 P57 G62 L63	Y55-L59 HydrophobicContact CE1-CD2 4.29Å; Y55-L59 WeakPolarHBondContact O-CB 3.48Å; Y55-L59 PolarHBondContact O-N 2.91Å; S56-L59 PolarHBondContact O-N 2.76Å; P57-L59 VanDerWaalsContact C-N 3.35Å; P57-L59 PolarHBondContact O-N 2.89Å; L59-G62 PolarHBondContact O-N 3.07Å; L59-L63 HydrophobicContact CG-CD1 4.32Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 2.88Å
60	L	93.2	Very high	91.9	Very high	57 Å²	57	89.1 Å²	89.1	30%	0.298	48%	0.477	S	S	.	.	H	α-helix	trans	-62.9	-41.1	177.2	-73.9	175.6	0	0	0	111.8	S56 P57 G62 L63 S64 Y129	S56-L60 WeakPolarHBondContact O-CG 3.46Å; S56-L60 PolarHBondContact O-N 2.95Å; S56-L60 VanDerWaalsContact O-N 3.1Å; P57-L60 PolarHBondContact O-N 3.07Å; L60-G62 VanDerWaalsContact C-N 3.34Å; L60-G62 PolarHBondContact O-N 3.43Å; L60-L63 PolarHBondContact O-N 3.07Å; L60-S64 WeakPolarHBondContact O-CB 3.11Å; L60-S64 PolarHBondContact O-N 3.34Å; L60-Y129 CarbonylContact C-O 3.58Å
61	E	93.5	Very high	92.6	Very high	137 Å²	137	88 Å²	88	64%	0.64	46%	0.462	S	S	*	.	H	α-helix	trans	-60.9	-43.4	174.2	-173.9	173.9	-176.8	0	0	111.7	P57 N58 S64 R65	P57-E61 WeakPolarHBondContact O-CB 3.26Å; P57-E61 PolarHBondContact O-N 3.4Å; N58-E61 PolarHBondContact O-N 3.32Å; E61-S64 WeakPolarHBondContact O-CB 3.29Å; E61-S64 PolarHBondContact O-N 3.39Å; E61-R65 PolarHBondContact O-N 3.25Å
62	G	95	Very high	93.2	Very high	16 Å²	16	88.2 Å²	88.2	17%	0.165	45%	0.454	C	S	.	.	H	α-helix	trans	-57.9	-48.4	173.3	0	0	0	0	0	112.8	N58 L59 L60 S64 R65 M66	N58-G62 PolarHBondContact O-N 2.9Å; L59-G62 PolarHBondContact O-N 3.07Å; L60-G62 VanDerWaalsContact C-N 3.34Å; L60-G62 PolarHBondContact O-N 3.43Å; G62-S64 VanDerWaalsContact C-N 3.34Å; G62-S64 PolarHBondContact O-N 2.82Å; G62-R65 PolarHBondContact O-N 3.44Å; G62-M66 WeakPolarHBondContact O-CG 2.84Å; G62-M66 PolarHBondContact O-N 2.9Å
63	L	95.5	Very high	93.6	Very high	41 Å²	41	85.3 Å²	85.3	22%	0.215	44%	0.44	C	S	.	.	H	α-helix	trans	-63.4	-39	177.1	-70.7	170	0	0	0	112.2	L59 L60 M66 R67 V90 Y129	L59-L63 HydrophobicContact CG-CD1 4.32Å; L59-L63 WeakPolarHBondContact O-CG 3.47Å; L59-L63 PolarHBondContact O-N 2.88Å; L60-L63 PolarHBondContact O-N 3.07Å; L63-M66 PolarHBondContact O-N 3.32Å; L63-R67 PolarHBondContact O-N 3.15Å; L63-V90 HydrophobicContact CD1-CG2 4.1Å; L63-V90 HydrophobicContact CD2-CG2 4.37Å; L63-Y129 HydrophobicContact CB-CD1 3.92Å; L63-Y129 HydrophobicContact CB-CE1 4.05Å; L63-Y129 WeakPolarHBondContact O-CE1 3.48Å
64	S	94.9	Very high	94	Very high	15 Å²	15	83.4 Å²	83.4	11%	0.105	42%	0.421	C	S	.	.	H	α-helix	trans	-63.4	-44.8	176.4	-174.8	0	0	0	0	111.3	L60 E61 G62 R67 Q68	L60-S64 WeakPolarHBondContact O-CB 3.11Å; L60-S64 PolarHBondContact O-N 3.34Å; E61-S64 WeakPolarHBondContact O-CB 3.29Å; E61-S64 PolarHBondContact O-N 3.39Å; G62-S64 VanDerWaalsContact C-N 3.34Å; G62-S64 PolarHBondContact O-N 2.82Å; S64-R67 PolarHBondContact O-N 3.2Å; S64-Q68 WeakPolarHBondContact O-CG 3.46Å; S64-Q68 PolarHBondContact O-N 2.81Å; S64-Q68 VanDerWaalsContact O-N 3.11Å
65	R	95.9	Very high	94.3	Very high	152 Å²	152	81.2 Å²	81.2	57%	0.574	41%	0.406	S	S	*	.	H	α-helix	trans	-61.3	-48.4	175	-178.9	175.1	61.5	-164.8	-2.4	111.7	E61 G62 R67 Q68 E69	E61-R65 PolarHBondContact O-N 3.25Å; G62-R65 PolarHBondContact O-N 3.44Å; R65-R67 VanDerWaalsContact C-N 3.25Å; R65-R67 PolarHBondContact O-N 2.87Å; R65-Q68 WeakPolarHBondContact O-CB 3.24Å; R65-Q68 PolarHBondContact O-N 3.06Å; R65-E69 WeakPolarHBondContact CG-OE1 3.3Å; R65-E69 PolarHBondContact O-N 3.02Å; R65-E69 VanDerWaalsContact O-N 3.08Å
66	M	96.7	Very high	94.5	Very high	63 Å²	63	76.2 Å²	76.2	31%	0.31	39%	0.39	S	S	.	.	H	α-helix	trans	-57	-40.5	177.4	-70	178.6	-179.3	0	0	111.8	G62 L63 E69 N70 F71	G62-M66 WeakPolarHBondContact O-CG 2.84Å; G62-M66 PolarHBondContact O-N 2.9Å; L63-M66 PolarHBondContact O-N 3.32Å; M66-E69 PolarHBondContact O-N 3.23Å; M66-N70 PolarHBondContact O-N 3.03Å; M66-F71 HydrophobicContact CB-CB 4.43Å; M66-F71 HydrophobicContact CB-CD1 4.35Å; M66-F71 HydrophobicContact CG-CD1 3.97Å; M66-F71 PolarHBondContact O-N 2.86Å; M66-F71 HydrophobicContact SD-CD1 4.23Å
67	R	96.1	Very high	95	Very high	50 Å²	50	72.6 Å²	72.6	19%	0.189	37%	0.365	C	S	.	.	H	α-helix	trans	-62.2	-44.2	175.5	-174.8	-170.7	130.1	-140.9	0.3	112.1	L63 S64 R65 E69 N70 S85 Y129	L63-R67 PolarHBondContact O-N 3.15Å; S64-R67 PolarHBondContact O-N 3.2Å; R65-R67 VanDerWaalsContact C-N 3.25Å; R65-R67 PolarHBondContact O-N 2.87Å; R67-E69 VanDerWaalsContact C-N 3.25Å; R67-E69 PolarHBondContact O-N 3.41Å; R67-N70 PolarHBondContact O-N 2.89Å; R67-S85 WeakPolarHBondContact CG-O 3.32Å; R67-Y129 HydrophobicContact CB-CD1 4.38Å; R67-Y129 HydrophobicContact CB-CE1 3.99Å; R67-Y129 HydrophobicContact CG-CE2 4.31Å
68	Q	94.2	Very high	95.3	Very high	142 Å²	142	69.3 Å²	69.3	66%	0.664	34%	0.344	S	S	*	.	H	α-helix	trans	-63.3	-33.9	179.8	-68.7	171.2	26.8	0	0	112.1	S64 R65 N70	S64-Q68 WeakPolarHBondContact O-CG 3.46Å; S64-Q68 PolarHBondContact O-N 2.81Å; S64-Q68 VanDerWaalsContact O-N 3.11Å; R65-Q68 WeakPolarHBondContact O-CB 3.24Å; R65-Q68 PolarHBondContact O-N 3.06Å; Q68-N70 PolarHBondContact O-N 2.88Å
69	E	95.8	Very high	95.4	Very high	126 Å²	126	65.4 Å²	65.4	59%	0.589	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.4	175	-66.8	170.6	-175.8	0	0	113.1	R65 M66 R67 F71	R65-E69 WeakPolarHBondContact CG-OE1 3.3Å; R65-E69 PolarHBondContact O-N 3.02Å; R65-E69 VanDerWaalsContact O-N 3.08Å; M66-E69 PolarHBondContact O-N 3.23Å; R67-E69 VanDerWaalsContact C-N 3.25Å; R67-E69 PolarHBondContact O-N 3.41Å; E69-F71 HydrophobicContact CB-CB 4.21Å; E69-F71 PolarHBondContact O-N 3.16Å; E69-F71 VanDerWaalsContact O-N 3.16Å
70	N	94.3	Very high	95.3	Very high	100 Å²	100	68.4 Å²	68.4	54%	0.535	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	24.2	-166.9	-64.8	-78.6	0	0	0	113.3	M66 R67 Q68 S85	M66-N70 PolarHBondContact O-N 3.03Å; R67-N70 PolarHBondContact O-N 2.89Å; Q68-N70 PolarHBondContact O-N 2.88Å; N70-S85 WeakPolarHBondContact OD1-CB 3.47Å; N70-S85 PolarHBondContact OD1-OG 3.41Å; N70-S85 VanDerWaalsContact OD1-OG 3.07Å
71	F	95.9	Very high	95.2	Very high	105 Å²	105	71 Å²	71	46%	0.461	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	127.6	178.7	-175.4	-111.9	0	0	0	109.3	M66 E69 C73 H87	M66-F71 HydrophobicContact CB-CB 4.43Å; M66-F71 HydrophobicContact CB-CD1 4.35Å; M66-F71 HydrophobicContact CG-CD1 3.97Å; M66-F71 PolarHBondContact O-N 2.86Å; M66-F71 HydrophobicContact SD-CD1 4.23Å; E69-F71 HydrophobicContact CB-CB 4.21Å; E69-F71 PolarHBondContact O-N 3.16Å; E69-F71 VanDerWaalsContact O-N 3.16Å; F71-C73 PolarHBondContact O-N 2.75Å; F71-H87 PolarHBondContact O-NE2 3.5Å
72	L	94.9	Very high	95.3	Very high	117 Å²	117	70.6 Å²	70.6	61%	0.613	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	15.3	-179.7	-58.5	175.6	0	0	0	116.1	D74 H87	L72-D74 PolarHBondContact O-N 3.48Å; L72-H87 PolarHBondContact O-CD2 3.31Å
73	C	96.2	Very high	95.3	Very high	34 Å²	34	73.5 Å²	73.5	23%	0.23	37%	0.365	C	S	.	.			trans	-69.5	119.2	171.4	-68.6	0	0	0	0	110	F71 V86	F71-C73 PolarHBondContact O-N 2.75Å; C73-V86 WeakPolarHBondContact CA-O 3.45Å
74	D	96.4	Very high	95.4	Very high	77 Å²	77	73.1 Å²	73.1	41%	0.412	36%	0.362	S	S	.	.			trans	-119.5	5.2	-170.6	61.3	-14	0	0	0	113.1	L72 V86 H87 K88	L72-D74 PolarHBondContact O-N 3.48Å; D74-V86 PolarHBondContact N-O 3.32Å; D74-H87 VanDerWaalsContact OD1-CA 3.29Å; D74-H87 WeakPolarHBondContact OD1-CA 3.43Å; D74-K88 VanDerWaalsContact O-CE 3.24Å; D74-K88 WeakPolarHBondContact O-CE 3.49Å; D74-K88 WeakPolarHBondContact OD1-CG 3.17Å; D74-K88 PolarHBondContact OD1-N 3.43Å; D74-K88 WeakPolarHBondContact OD2-CD 3.45Å
75	L	97.3	Very high	95.5	Very high	2 Å²	2	74.5 Å²	74.5	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.8	174.6	178.5	66.8	0	0	0	111	I77 V86 K88 F98 T108 V111	L75-I77 HydrophobicContact CD2-CD1 4.39Å; L75-I77 HydrophobicContact CD2-CG1 4.08Å; L75-I77 HydrophobicContact CG-CG1 4.2Å; L75-V86 HydrophobicContact CB-CG2 3.99Å; L75-V86 HydrophobicContact CD2-CG2 4.01Å; L75-V86 HydrophobicContact CG-CG2 4.06Å; L75-V86 PolarHBondContact N-O 3.33Å; L75-V86 VanDerWaalsContact N-O 3.11Å; L75-V86 WeakPolarHBondContact O-CG2 3.48Å; L75-V86 PolarHBondContact O-N 2.59Å; L75-V86 VanDerWaalsContact O-O 3.11Å; L75-K88 HydrophobicContact CB-CG 3.75Å; L75-K88 HydrophobicContact CD2-CG 4.4Å; L75-F98 HydrophobicContact CD2-CD1 4.26Å; L75-F98 HydrophobicContact CD2-CE1 4.31Å; L75-T108 HydrophobicContact CD1-CG2 4.45Å; L75-V111 HydrophobicContact CD1-CG2 4.1Å
76	T	97.3	Very high	95.6	Very high	41 Å²	41	67.2 Å²	67.2	25%	0.252	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.6	168.7	-59.1	0	0	0	0	110	F84 Q109 R110 V111	T76-F84 WeakPolarHBondContact CA-O 3.29Å; T76-Q109 PolarHBondContact N-O 3.29Å; T76-R110 CarbonylContact O-C 3.56Å; T76-R110 VanDerWaalsContact O-CA 3.26Å; T76-R110 WeakPolarHBondContact O-CA 3.25Å; T76-V111 PolarHBondContact O-N 3.26Å
77	I	97.2	Very high	95.7	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.9	172.2	-52.4	167.6	0	0	0	108.5	L75 S83 F84 V86 M91 F98 V111 L113 L121	L75-I77 HydrophobicContact CD2-CD1 4.39Å; L75-I77 HydrophobicContact CD2-CG1 4.08Å; L75-I77 HydrophobicContact CG-CG1 4.2Å; I77-S83 CarbonylContact O-C 3.34Å; I77-S83 WeakPolarHBondContact O-CA 3.01Å; I77-F84 PolarHBondContact N-O 2.9Å; I77-F84 PolarHBondContact O-N 3.26Å; I77-V86 HydrophobicContact CD1-CG1 4.42Å; I77-V86 HydrophobicContact CD1-CG2 3.62Å; I77-V86 HydrophobicContact CG1-CG2 3.86Å; I77-M91 HydrophobicContact CD1-CE 4.08Å; I77-M91 HydrophobicContact CD1-CG 4.12Å; I77-M91 HydrophobicContact CD1-SD 4.46Å; I77-F98 HydrophobicContact CD1-CE1 3.88Å; I77-F98 HydrophobicContact CD1-CE2 3.8Å; I77-F98 HydrophobicContact CD1-CZ 3.32Å; I77-F98 HydrophobicContact CG1-CE1 4.03Å; I77-F98 HydrophobicContact CG1-CZ 3.82Å; I77-F98 HydrophobicContact CG2-CZ 4.09Å; I77-V111 WeakPolarHBondContact CA-O 3.45Å; I77-L113 HydrophobicContact CG2-CD1 3.7Å; I77-L113 HydrophobicContact CG2-CG 4.03Å; I77-L121 HydrophobicContact CB-CD2 4.35Å; I77-L121 HydrophobicContact CG2-CD1 4.19Å; I77-L121 HydrophobicContact CG2-CD2 3.65Å
78	S	95.4	Very high	95.7	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.7	-179	-0.1	0	0	0	0	111.8	R110 V111 D112 L113	S78-R110 PolarHBondContact OG-NE 3.42Å; S78-R110 VanDerWaalsContact OG-NE 3.12Å; S78-R110 PolarHBondContact OG-NH2 2.99Å; S78-V111 PolarHBondContact N-O 3.12Å; S78-D112 WeakPolarHBondContact CB-OD1 3.36Å; S78-D112 CarbonylContact O-C 3.6Å; S78-D112 PolarHBondContact OG-OD1 2.96Å; S78-L113 PolarHBondContact O-N 3.23Å
79	T	94.8	Very high	95.7	Very high	9 Å²	9	62 Å²	62	6%	0.055	33%	0.326	C	S	.	.			trans	-102.8	178.3	160.7	60.3	0	0	0	0	108.4	T81 K82 V116 L121	T79-T81 PolarHBondContact O-N 3.44Å; T79-K82 PolarHBondContact N-O 3.22Å; T79-K82 PolarHBondContact OG1-N 3.36Å; T79-K82 PolarHBondContact OG1-O 3.48Å; T79-V116 WeakPolarHBondContact CG2-O 3.36Å; T79-L121 HydrophobicContact CG2-CB 4.37Å; T79-L121 HydrophobicContact CG2-CD2 3.62Å
80	K	90.5	Very high	95.8	Very high	150 Å²	150	56.5 Å²	56.5	65%	0.652	30%	0.301	S	S	*	.	S	Bend	trans	-52.7	-30.5	174.9	-76	174.9	178.6	153.1	0	114	N114 D115	K80-N114 VanDerWaalsContact CD-O 3.25Å; K80-N114 WeakPolarHBondContact CD-O 3.42Å; K80-N114 WeakPolarHBondContact CE-O 3.41Å; K80-N114 HydrophobicContact CG-CB 4.11Å; K80-N114 WeakPolarHBondContact CG-O 3.25Å; K80-N114 PolarHBondContact NZ-O 3.2Å; K80-D115 IonicContact NZ-OD1 3.88Å
81	T	92.6	Very high	95.8	Very high	110 Å²	110	51.7 Å²	51.7	68%	0.675	28%	0.276	S	S	*	.	S	Bend	trans	-123.3	-15.8	-170.2	59.8	0	0	0	0	115	T79 P118	T79-T81 PolarHBondContact O-N 3.44Å; T81-P118 WeakPolarHBondContact OG1-CG 3.41Å
82	K	94.9	Very high	95.8	Very high	130 Å²	130	47.7 Å²	47.7	57%	0.565	26%	0.262	S	S	*	.			trans	-142.8	147.2	-178.8	-70.3	-166.9	174.9	-175.6	0	112.3	T79 F84 P118	T79-K82 PolarHBondContact N-O 3.22Å; T79-K82 PolarHBondContact OG1-N 3.36Å; T79-K82 PolarHBondContact OG1-O 3.48Å; K82-F84 HydrophobicContact CB-CE2 3.95Å; K82-F84 HydrophobicContact CB-CZ 4.07Å; K82-F84 HydrophobicContact CD-CZ 4.31Å; K82-P118 HydrophobicContact CB-CB 4.29Å; K82-P118 HydrophobicContact CD-CB 4.15Å; K82-P118 HydrophobicContact CG-CB 4.32Å
83	S	95.6	Very high	95.8	Very high	77 Å²	77	46.7 Å²	46.7	54%	0.538	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	146.1	172.4	54.8	0	0	0	0	111.6	I77	I77-S83 CarbonylContact O-C 3.34Å; I77-S83 WeakPolarHBondContact O-CA 3.01Å
84	F	96.9	Very high	95.8	Very high	33 Å²	33	47 Å²	47	15%	0.145	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	124.7	-178.1	-56.8	-90.1	0	0	0	110.2	T76 I77 K82 L121 A122 I125	T76-F84 WeakPolarHBondContact CA-O 3.29Å; I77-F84 PolarHBondContact N-O 2.9Å; I77-F84 PolarHBondContact O-N 3.26Å; K82-F84 HydrophobicContact CB-CE2 3.95Å; K82-F84 HydrophobicContact CB-CZ 4.07Å; K82-F84 HydrophobicContact CD-CZ 4.31Å; F84-L121 HydrophobicContact CD2-CD2 3.62Å; F84-L121 HydrophobicContact CD2-CG 4.19Å; F84-L121 HydrophobicContact CE2-CB 4.48Å; F84-L121 HydrophobicContact CE2-CD2 3.79Å; F84-L121 HydrophobicContact CE2-CG 4.23Å; F84-A122 HydrophobicContact CE1-CB 3.93Å; F84-A122 HydrophobicContact CZ-CB 3.97Å; F84-I125 HydrophobicContact CB-CD1 3.61Å; F84-I125 HydrophobicContact CD1-CD1 4.25Å; F84-I125 HydrophobicContact CD2-CD1 4.18Å; F84-I125 HydrophobicContact CG-CD1 3.77Å
85	S	97.4	Very high	95.8	Very high	43 Å²	43	43.3 Å²	43.3	30%	0.301	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	128.8	169.1	-51	0	0	0	0	109.7	R67 N70	R67-S85 WeakPolarHBondContact CG-O 3.32Å; N70-S85 WeakPolarHBondContact OD1-CB 3.47Å; N70-S85 PolarHBondContact OD1-OG 3.41Å; N70-S85 VanDerWaalsContact OD1-OG 3.07Å
86	V	97.7	Very high	95.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	170.5	-178.2	-60.4	0	0	0	0	111	C73 D74 L75 I77 M91 I125	C73-V86 WeakPolarHBondContact CA-O 3.45Å; D74-V86 PolarHBondContact N-O 3.32Å; L75-V86 HydrophobicContact CB-CG2 3.99Å; L75-V86 HydrophobicContact CD2-CG2 4.01Å; L75-V86 HydrophobicContact CG-CG2 4.06Å; L75-V86 PolarHBondContact N-O 3.33Å; L75-V86 VanDerWaalsContact N-O 3.11Å; L75-V86 WeakPolarHBondContact O-CG2 3.48Å; L75-V86 PolarHBondContact O-N 2.59Å; L75-V86 VanDerWaalsContact O-O 3.11Å; I77-V86 HydrophobicContact CD1-CG1 4.42Å; I77-V86 HydrophobicContact CD1-CG2 3.62Å; I77-V86 HydrophobicContact CG1-CG2 3.86Å; V86-M91 HydrophobicContact CB-CG 4.06Å; V86-M91 HydrophobicContact CG2-CG 3.73Å; V86-I125 HydrophobicContact CG1-CD1 3.87Å; V86-I125 HydrophobicContact CG1-CG1 4.2Å; V86-I125 HydrophobicContact CG1-CG2 3.76Å
87	H	97.5	Very high	95.8	Very high	12 Å²	12	47.2 Å²	47.2	6%	0.056	26%	0.263	C	S	.	.			trans	-96.5	128.4	174.1	-57.2	83.3	0	0	0	110	F71 L72 D74 V89 V90 M91 Y129	F71-H87 PolarHBondContact O-NE2 3.5Å; L72-H87 PolarHBondContact O-CD2 3.31Å; D74-H87 VanDerWaalsContact OD1-CA 3.29Å; D74-H87 WeakPolarHBondContact OD1-CA 3.43Å; H87-V89 VanDerWaalsContact C-N 3.29Å; H87-V89 HydrophobicContact CB-CG1 4.41Å; H87-V89 PolarHBondContact O-N 2.62Å; H87-V90 HydrophobicContact CB-CB 4.29Å; H87-V90 HydrophobicContact CB-CG2 3.97Å; H87-V90 PolarHBondContact O-N 2.93Å; H87-M91 PolarHBondContact O-N 3.26Å; H87-M91 VanDerWaalsContact O-N 3.15Å; H87-Y129 VanDerWaalsContact CB-OH 3.26Å; H87-Y129 WeakPolarHBondContact CB-OH 3.47Å; H87-Y129 PolarHBondContact N-OH 3.4Å; H87-Y129 AromaticContact ND1-CE1 3.64Å; H87-Y129 AromaticContact ND1-CZ 3.59Å; H87-Y129 PolarHBondContact ND1-OH 3.13Å
88	K	96.5	Very high	95.8	Very high	35 Å²	35	47.2 Å²	47.2	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-51.1	-48.5	176.8	-76.4	178.7	179.5	176.7	0	111.7	D74 L75 V90 M91 A92 L102 P106 T108	D74-K88 VanDerWaalsContact O-CE 3.24Å; D74-K88 WeakPolarHBondContact O-CE 3.49Å; D74-K88 WeakPolarHBondContact OD1-CG 3.17Å; D74-K88 PolarHBondContact OD1-N 3.43Å; D74-K88 WeakPolarHBondContact OD2-CD 3.45Å; L75-K88 HydrophobicContact CB-CG 3.75Å; L75-K88 HydrophobicContact CD2-CG 4.4Å; K88-V90 VanDerWaalsContact C-N 3.32Å; K88-V90 PolarHBondContact O-N 2.8Å; K88-M91 PolarHBondContact O-N 3.36Å; K88-A92 WeakPolarHBondContact O-CB 3.18Å; K88-A92 PolarHBondContact O-N 3.26Å; K88-L102 HydrophobicContact CB-CD1 3.89Å; K88-L102 HydrophobicContact CD-CD2 3.93Å; K88-L102 HydrophobicContact CG-CD1 4.05Å; K88-L102 HydrophobicContact CG-CD2 3.99Å; K88-P106 PolarHBondContact NZ-O 2.88Å; K88-T108 WeakPolarHBondContact CE-O 3.44Å; K88-T108 PolarHBondContact NZ-O 2.73Å
89	V	95.2	Very high	95.9	Very high	97 Å²	97	51 Å²	51	59%	0.588	28%	0.281	S	S	*	.	H	α-helix	trans	-62.3	-39.7	-176.1	68.3	0	0	0	0	112	H87 S93	H87-V89 VanDerWaalsContact C-N 3.29Å; H87-V89 HydrophobicContact CB-CG1 4.41Å; H87-V89 PolarHBondContact O-N 2.62Å; V89-S93 VanDerWaalsContact O-CB 3.27Å; V89-S93 WeakPolarHBondContact O-CB 3.26Å; V89-S93 PolarHBondContact O-N 3.08Å; V89-S93 PolarHBondContact O-OG 3.11Å
90	V	96.3	Very high	96	Very high	11 Å²	11	54.6 Å²	54.6	7%	0.067	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-49.4	179.1	176.6	0	0	0	0	109.7	L63 H87 K88 A92 S93 S94 A128 Y129	L63-V90 HydrophobicContact CD1-CG2 4.1Å; L63-V90 HydrophobicContact CD2-CG2 4.37Å; H87-V90 HydrophobicContact CB-CB 4.29Å; H87-V90 HydrophobicContact CB-CG2 3.97Å; H87-V90 PolarHBondContact O-N 2.93Å; K88-V90 VanDerWaalsContact C-N 3.32Å; K88-V90 PolarHBondContact O-N 2.8Å; V90-A92 PolarHBondContact O-N 3.39Å; V90-S93 PolarHBondContact O-N 3.33Å; V90-S94 PolarHBondContact O-N 3.06Å; V90-S94 VanDerWaalsContact O-N 3.13Å; V90-S94 PolarHBondContact O-OG 3.23Å; V90-A128 HydrophobicContact CG1-CB 4.01Å; V90-Y129 HydrophobicContact CB-CE1 4.18Å; V90-Y129 HydrophobicContact CB-CE2 4.43Å; V90-Y129 HydrophobicContact CG1-CD1 4.28Å; V90-Y129 HydrophobicContact CG1-CD2 4.23Å; V90-Y129 HydrophobicContact CG1-CE1 3.94Å; V90-Y129 HydrophobicContact CG1-CE2 3.88Å; V90-Y129 HydrophobicContact CG1-CG 4.41Å; V90-Y129 HydrophobicContact CG2-CE1 3.83Å
91	M	96.1	Very high	96.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-41.9	179.9	-63.8	-53	-56.7	0	0	112.6	I77 V86 H87 K88 S93 S94 S95 F98 V124 I125 A128	I77-M91 HydrophobicContact CD1-CE 4.08Å; I77-M91 HydrophobicContact CD1-CG 4.12Å; I77-M91 HydrophobicContact CD1-SD 4.46Å; V86-M91 HydrophobicContact CB-CG 4.06Å; V86-M91 HydrophobicContact CG2-CG 3.73Å; H87-M91 PolarHBondContact O-N 3.26Å; H87-M91 VanDerWaalsContact O-N 3.15Å; K88-M91 PolarHBondContact O-N 3.36Å; M91-S93 PolarHBondContact O-N 3.01Å; M91-S94 PolarHBondContact O-N 3.33Å; M91-S95 WeakPolarHBondContact O-CB 3.49Å; M91-S95 PolarHBondContact O-N 3.28Å; M91-F98 HydrophobicContact CB-CB 4.18Å; M91-F98 HydrophobicContact CB-CD2 4.03Å; M91-F98 HydrophobicContact CB-CG 4.08Å; M91-F98 HydrophobicContact CE-CD2 3.73Å; M91-F98 HydrophobicContact CE-CE2 3.61Å; M91-V124 HydrophobicContact CE-CG1 4.48Å; M91-I125 HydrophobicContact CE-CG1 4.43Å; M91-I125 HydrophobicContact SD-CG1 4.33Å; M91-A128 HydrophobicContact SD-CB 4.25Å
92	A	96.1	Very high	96.4	Very high	20 Å²	20	45.2 Å²	45.2	17%	0.165	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-25.5	176.4	0	0	0	0	0	113.3	K88 V90 H99 L102	K88-A92 WeakPolarHBondContact O-CB 3.18Å; K88-A92 PolarHBondContact O-N 3.26Å; V90-A92 PolarHBondContact O-N 3.39Å; A92-H99 WeakPolarHBondContact O-CB 3.45Å; A92-L102 HydrophobicContact CB-CD1 3.94Å
93	S	94.8	Very high	96.4	Very high	97 Å²	97	46.5 Å²	46.5	68%	0.678	26%	0.258	S	S	*	.	H	α-helix	trans	-81.7	-26.9	176.5	-57.6	0	0	0	0	112.3	V89 V90 M91	V89-S93 VanDerWaalsContact O-CB 3.27Å; V89-S93 WeakPolarHBondContact O-CB 3.26Å; V89-S93 PolarHBondContact O-N 3.08Å; V89-S93 PolarHBondContact O-OG 3.11Å; V90-S93 PolarHBondContact O-N 3.33Å; M91-S93 PolarHBondContact O-N 3.01Å
94	S	94.9	Very high	96.4	Very high	39 Å²	39	52 Å²	52	27%	0.273	27%	0.272	S	S	.	.	H	α-helix	trans	-102.4	-12.5	-176.5	-56.2	0	0	0	0	114.5	V90 M91 I152	V90-S94 PolarHBondContact O-N 3.06Å; V90-S94 VanDerWaalsContact O-N 3.13Å; V90-S94 PolarHBondContact O-OG 3.23Å; M91-S94 PolarHBondContact O-N 3.33Å; S94-I152 WeakPolarHBondContact O-CG1 3.47Å; S94-I152 WeakPolarHBondContact O-CG2 3.15Å
95	S	97.4	Very high	96.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.007	28%	0.283	C	S	.	.			trans	-140.4	120.7	-173.6	165.2	0	0	0	0	111.6	M91 Y97 F98 H99 L150	M91-S95 WeakPolarHBondContact O-CB 3.49Å; M91-S95 PolarHBondContact O-N 3.28Å; S95-Y97 PolarHBondContact O-N 3.29Å; S95-Y97 PolarHBondContact OG-N 2.96Å; S95-F98 PolarHBondContact O-N 3.34Å; S95-F98 WeakPolarHBondContact OG-CD2 3.44Å; S95-F98 PolarHBondContact OG-N 3Å; S95-H99 WeakPolarHBondContact O-CB 3.4Å; S95-H99 PolarHBondContact O-N 3.25Å; S95-L150 WeakPolarHBondContact CB-O 3.35Å; S95-L150 PolarHBondContact OG-O 3.17Å
96	D	97.5	Very high	96.1	Very high	75 Å²	75	56 Å²	56	40%	0.401	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-31	177.6	-67.8	-32.5	0	0	0	111.8	H99 N100 Q151 H153	D96-H99 PolarHBondContact O-N 3.03Å; D96-N100 WeakPolarHBondContact O-CB 3.35Å; D96-N100 PolarHBondContact O-N 3.47Å; D96-N100 PolarHBondContact O-ND2 3.08Å; D96-Q151 HydrophobicContact CB-CB 3.84Å; D96-H153 IonicContact OD2-CD2 3.62Å; D96-H153 IonicContact OD2-NE2 3.77Å
97	Y	97	Very high	95.9	Very high	49 Å²	49	61 Å²	61	19%	0.192	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-52.2	173	176.2	-95.1	0	0	0	111.6	S95 N100 I101 V111 L113 Y149 L150	S95-Y97 PolarHBondContact O-N 3.29Å; S95-Y97 PolarHBondContact OG-N 2.96Å; Y97-N100 PolarHBondContact O-N 3.48Å; Y97-I101 HydrophobicContact CD1-CD1 3.87Å; Y97-I101 HydrophobicContact CD2-CD1 4.34Å; Y97-I101 HydrophobicContact CE1-CD1 3.27Å; Y97-I101 HydrophobicContact CE2-CD1 3.8Å; Y97-I101 HydrophobicContact CG-CD1 4.37Å; Y97-I101 WeakPolarHBondContact O-CG1 3.27Å; Y97-I101 PolarHBondContact O-N 3.41Å; Y97-I101 WeakPolarHBondContact OH-CD1 3.15Å; Y97-V111 HydrophobicContact CE1-CG1 4.47Å; Y97-L113 HydrophobicContact CE1-CD2 3.92Å; Y97-Y149 HydrophobicContact CE1-CE1 4.43Å; Y97-Y149 HydrophobicContact CE2-CE1 4.12Å; Y97-L150 WeakPolarHBondContact CB-O 3.45Å; Y97-L150 HydrophobicContact CD1-CD2 3.61Å; Y97-L150 HydrophobicContact CE1-CD2 4.1Å; Y97-L150 HydrophobicContact CG-CD2 4.17Å
98	F	96.9	Very high	95.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-69.6	-36.6	178.3	-76.1	-65.2	0	0	0	112.2	L75 I77 M91 S95 N100 I101 L102 V111 L113 L150	L75-F98 HydrophobicContact CD2-CD1 4.26Å; L75-F98 HydrophobicContact CD2-CE1 4.31Å; I77-F98 HydrophobicContact CD1-CE1 3.88Å; I77-F98 HydrophobicContact CD1-CE2 3.8Å; I77-F98 HydrophobicContact CD1-CZ 3.32Å; I77-F98 HydrophobicContact CG1-CE1 4.03Å; I77-F98 HydrophobicContact CG1-CZ 3.82Å; I77-F98 HydrophobicContact CG2-CZ 4.09Å; M91-F98 HydrophobicContact CB-CB 4.18Å; M91-F98 HydrophobicContact CB-CD2 4.03Å; M91-F98 HydrophobicContact CB-CG 4.08Å; M91-F98 HydrophobicContact CE-CD2 3.73Å; M91-F98 HydrophobicContact CE-CE2 3.61Å; S95-F98 PolarHBondContact O-N 3.34Å; S95-F98 WeakPolarHBondContact OG-CD2 3.44Å; S95-F98 PolarHBondContact OG-N 3Å; F98-N100 VanDerWaalsContact C-N 3.32Å; F98-N100 PolarHBondContact O-N 3.34Å; F98-I101 PolarHBondContact O-N 3.32Å; F98-L102 VanDerWaalsContact O-CB 3.3Å; F98-L102 WeakPolarHBondContact O-CB 3.47Å; F98-L102 VanDerWaalsContact O-CG 3.29Å; F98-L102 WeakPolarHBondContact O-CG 3.38Å; F98-L102 PolarHBondContact O-N 3.32Å; F98-V111 HydrophobicContact CE1-CB 4.22Å; F98-V111 HydrophobicContact CE1-CG1 4.09Å; F98-V111 HydrophobicContact CE1-CG2 4.31Å; F98-L113 HydrophobicContact CZ-CD1 4.09Å; F98-L150 HydrophobicContact CD2-CD2 4.21Å; F98-L150 HydrophobicContact CE2-CD1 4.11Å; F98-L150 HydrophobicContact CE2-CD2 3.54Å; F98-L150 HydrophobicContact CE2-CG 4.41Å; F98-L150 HydrophobicContact CZ-CD2 4.03Å
99	H	97	Very high	95.7	Very high	83 Å²	83	67.1 Å²	67.1	38%	0.384	36%	0.357	S	S	.	.	H	α-helix	trans	-54.2	-50.7	172.6	-174	88.7	0	0	0	111	A92 S95 D96 L102 K103	A92-H99 WeakPolarHBondContact O-CB 3.45Å; S95-H99 WeakPolarHBondContact O-CB 3.4Å; S95-H99 PolarHBondContact O-N 3.25Å; D96-H99 PolarHBondContact O-N 3.03Å; H99-L102 PolarHBondContact O-N 2.89Å; H99-K103 WeakPolarHBondContact O-CB 3.5Å; H99-K103 PolarHBondContact O-N 3.38Å
100	N	96.6	Very high	95.7	Very high	85 Å²	85	69 Å²	69	46%	0.455	35%	0.354	S	S	.	.	H	α-helix	trans	-68.2	-39.6	-177	-72.4	-38.6	0	0	0	112.8	D96 Y97 F98 K104	D96-N100 WeakPolarHBondContact O-CB 3.35Å; D96-N100 PolarHBondContact O-N 3.47Å; D96-N100 PolarHBondContact O-ND2 3.08Å; Y97-N100 PolarHBondContact O-N 3.48Å; F98-N100 VanDerWaalsContact C-N 3.32Å; F98-N100 PolarHBondContact O-N 3.34Å; N100-K104 WeakPolarHBondContact O-CB 3.41Å; N100-K104 PolarHBondContact O-N 2.94Å; N100-K104 VanDerWaalsContact O-N 3.13Å
101	I	95.9	Very high	95.7	Very high	45 Å²	45	69.2 Å²	69.2	23%	0.231	36%	0.355	C	S	.	.	H	α-helix	trans	-64	-49.7	175.8	-74.2	174.8	0	0	0	111	Y97 F98 K103 K104 D105	Y97-I101 HydrophobicContact CD1-CD1 3.87Å; Y97-I101 HydrophobicContact CD2-CD1 4.34Å; Y97-I101 HydrophobicContact CE1-CD1 3.27Å; Y97-I101 HydrophobicContact CE2-CD1 3.8Å; Y97-I101 HydrophobicContact CG-CD1 4.37Å; Y97-I101 WeakPolarHBondContact O-CG1 3.27Å; Y97-I101 PolarHBondContact O-N 3.41Å; Y97-I101 WeakPolarHBondContact OH-CD1 3.15Å; F98-I101 PolarHBondContact O-N 3.32Å; I101-K103 VanDerWaalsContact C-N 3.31Å; I101-K103 PolarHBondContact O-N 2.9Å; I101-K104 PolarHBondContact O-N 3.45Å; I101-K104 VanDerWaalsContact O-N 3.14Å; I101-D105 PolarHBondContact O-N 3.01Å
102	L	95.8	Very high	95.7	Very high	18 Å²	18	73.3 Å²	73.3	9%	0.094	38%	0.377	C	S	.	.	H	α-helix	trans	-72.2	-27.5	-176.7	-67.1	168.8	0	0	0	112.2	K88 A92 F98 H99 K104 D105 P106	K88-L102 HydrophobicContact CB-CD1 3.89Å; K88-L102 HydrophobicContact CD-CD2 3.93Å; K88-L102 HydrophobicContact CG-CD1 4.05Å; K88-L102 HydrophobicContact CG-CD2 3.99Å; A92-L102 HydrophobicContact CB-CD1 3.94Å; F98-L102 VanDerWaalsContact O-CB 3.3Å; F98-L102 WeakPolarHBondContact O-CB 3.47Å; F98-L102 VanDerWaalsContact O-CG 3.29Å; F98-L102 WeakPolarHBondContact O-CG 3.38Å; F98-L102 PolarHBondContact O-N 3.32Å; H99-L102 PolarHBondContact O-N 2.89Å; L102-K104 VanDerWaalsContact C-N 3.33Å; L102-D105 CarbonylContact O-C 3.59Å; L102-P106 VanDerWaalsContact O-CA 3.3Å; L102-P106 WeakPolarHBondContact O-CA 3.33Å; L102-P106 WeakPolarHBondContact O-CD 3.3Å; L102-P106 WeakPolarHBondContact O-CG 3.47Å; L102-P106 VanDerWaalsContact O-N 3.1Å
103	K	95.4	Very high	95.7	Very high	157 Å²	157	72.4 Å²	72.4	68%	0.683	37%	0.369	S	S	*	.	H	α-helix	trans	-66.5	-35.9	170	-176.4	176.2	-177.4	177	0	112	H99 I101	H99-K103 WeakPolarHBondContact O-CB 3.5Å; H99-K103 PolarHBondContact O-N 3.38Å; I101-K103 VanDerWaalsContact C-N 3.31Å; I101-K103 PolarHBondContact O-N 2.9Å
104	K	95.2	Very high	95.5	Very high	193 Å²	193	71.7 Å²	71.7	84%	0.839	36%	0.358	S	S	*	.	H	α-helix	trans	-77.2	-41.8	177.8	-172.9	179.2	178.2	-176.7	0	112.1	N100 I101 L102	N100-K104 WeakPolarHBondContact O-CB 3.41Å; N100-K104 PolarHBondContact O-N 2.94Å; N100-K104 VanDerWaalsContact O-N 3.13Å; I101-K104 PolarHBondContact O-N 3.45Å; I101-K104 VanDerWaalsContact O-N 3.14Å; L102-K104 VanDerWaalsContact C-N 3.33Å
105	D	94.4	Very high	95.3	Very high	70 Å²	70	75.8 Å²	75.8	37%	0.374	38%	0.377	S	S	.	.			trans	-139.7	94.3	176.6	-177.8	2.8	0	0	0	111.2	I101 L102 T107 T108	I101-D105 PolarHBondContact O-N 3.01Å; L102-D105 CarbonylContact O-C 3.59Å; D105-T107 PolarHBondContact O-N 2.84Å; D105-T107 WeakPolarHBondContact OD1-CA 3.31Å; D105-T107 WeakPolarHBondContact OD1-CB 3.34Å; D105-T107 PolarHBondContact OD1-N 3.01Å; D105-T107 PolarHBondContact OD1-OG1 3.16Å; D105-T108 WeakPolarHBondContact O-CB 3.31Å; D105-T108 PolarHBondContact O-N 2.82Å; D105-T108 PolarHBondContact O-OG1 3.27Å; D105-T108 PolarHBondContact OD2-OG1 3Å
106	P	93.4	Very high	95.2	Very high	88 Å²	88	76.3 Å²	76.3	57%	0.571	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.1	177.5	-21.6	32.7	0	0	0	113.6	K88 L102 T108	K88-P106 PolarHBondContact NZ-O 2.88Å; L102-P106 VanDerWaalsContact O-CA 3.3Å; L102-P106 WeakPolarHBondContact O-CA 3.33Å; L102-P106 WeakPolarHBondContact O-CD 3.3Å; L102-P106 WeakPolarHBondContact O-CG 3.47Å; L102-P106 VanDerWaalsContact O-N 3.1Å; P106-T108 VanDerWaalsContact C-N 3.31Å
107	T	94.5	Very high	95	Very high	107 Å²	107	74.5 Å²	74.5	66%	0.656	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-14.1	-176	72.5	0	0	0	0	112.9	D105 Q109	D105-T107 PolarHBondContact O-N 2.84Å; D105-T107 WeakPolarHBondContact OD1-CA 3.31Å; D105-T107 WeakPolarHBondContact OD1-CB 3.34Å; D105-T107 PolarHBondContact OD1-N 3.01Å; D105-T107 PolarHBondContact OD1-OG1 3.16Å; T107-Q109 WeakPolarHBondContact O-CG 3.47Å; T107-Q109 PolarHBondContact O-N 3.24Å
108	T	94.5	Very high	94.9	Very high	23 Å²	23	73.9 Å²	73.9	14%	0.141	38%	0.375	C	S	.	.			trans	-45.9	120	177.4	-55.4	0	0	0	0	112.3	L75 K88 D105 P106 V111	L75-T108 HydrophobicContact CD1-CG2 4.45Å; K88-T108 WeakPolarHBondContact CE-O 3.44Å; K88-T108 PolarHBondContact NZ-O 2.73Å; D105-T108 WeakPolarHBondContact O-CB 3.31Å; D105-T108 PolarHBondContact O-N 2.82Å; D105-T108 PolarHBondContact O-OG1 3.27Å; D105-T108 PolarHBondContact OD2-OG1 3Å; P106-T108 VanDerWaalsContact C-N 3.31Å; T108-V111 HydrophobicContact CG2-CG2 3.74Å
109	Q	94.6	Very high	94.7	Very high	151 Å²	151	78.1 Å²	78.1	71%	0.706	40%	0.397	S	S	*	.			trans	-106.1	-16.7	177.7	-66.8	-176.9	-12.1	0	0	113.2	T76 T107	T76-Q109 PolarHBondContact N-O 3.29Å; T107-Q109 WeakPolarHBondContact O-CG 3.47Å; T107-Q109 PolarHBondContact O-N 3.24Å
110	R	96.3	Very high	94.6	Very high	138 Å²	138	74.1 Å²	74.1	52%	0.521	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	137.5	-177.9	-171.2	178.4	-179.1	105.6	-2.7	111.2	T76 S78 D112	T76-R110 CarbonylContact O-C 3.56Å; T76-R110 VanDerWaalsContact O-CA 3.26Å; T76-R110 WeakPolarHBondContact O-CA 3.25Å; S78-R110 PolarHBondContact OG-NE 3.42Å; S78-R110 VanDerWaalsContact OG-NE 3.12Å; S78-R110 PolarHBondContact OG-NH2 2.99Å; R110-D112 IonicContact CZ-OD1 2.8Å; R110-D112 IonicContact NE-OD1 2.67Å; R110-D112 PolarHBondContact NE-OD1 3.26Å; R110-D112 VanDerWaalsContact NE-OD1 3.09Å; R110-D112 IonicContact NE-OD2 3.77Å; R110-D112 IonicContact NH2-OD1 3.37Å
111	V	96.1	Very high	94.6	Very high	15 Å²	15	70.1 Å²	70.1	9%	0.091	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.6	173.4	176.3	0	0	0	0	108.9	L75 T76 I77 S78 Y97 F98 T108 L113	L75-V111 HydrophobicContact CD1-CG2 4.1Å; T76-V111 PolarHBondContact O-N 3.26Å; I77-V111 WeakPolarHBondContact CA-O 3.45Å; S78-V111 PolarHBondContact N-O 3.12Å; Y97-V111 HydrophobicContact CE1-CG1 4.47Å; F98-V111 HydrophobicContact CE1-CB 4.22Å; F98-V111 HydrophobicContact CE1-CG1 4.09Å; F98-V111 HydrophobicContact CE1-CG2 4.31Å; T108-V111 HydrophobicContact CG2-CG2 3.74Å; V111-L113 HydrophobicContact CG1-CD2 3.76Å; V111-L113 HydrophobicContact CG1-CG 4.16Å
112	D	95.6	Very high	94.5	Very high	86 Å²	86	69.3 Å²	69.3	46%	0.46	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.2	178.7	-63	-50.4	0	0	0	110.7	S78 R110	S78-D112 WeakPolarHBondContact CB-OD1 3.36Å; S78-D112 CarbonylContact O-C 3.6Å; S78-D112 PolarHBondContact OG-OD1 2.96Å; R110-D112 IonicContact CZ-OD1 2.8Å; R110-D112 IonicContact NE-OD1 2.67Å; R110-D112 PolarHBondContact NE-OD1 3.26Å; R110-D112 VanDerWaalsContact NE-OD1 3.09Å; R110-D112 IonicContact NE-OD2 3.77Å; R110-D112 IonicContact NH2-OD1 3.37Å
113	L	95.5	Very high	94.4	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.36	C	S	.	.			trans	-109.4	73	-180	-58.1	-174.7	0	0	0	110	I77 S78 Y97 F98 V111 D115 V116 L121 Y149 L150	I77-L113 HydrophobicContact CG2-CD1 3.7Å; I77-L113 HydrophobicContact CG2-CG 4.03Å; S78-L113 PolarHBondContact O-N 3.23Å; Y97-L113 HydrophobicContact CE1-CD2 3.92Å; F98-L113 HydrophobicContact CZ-CD1 4.09Å; V111-L113 HydrophobicContact CG1-CD2 3.76Å; V111-L113 HydrophobicContact CG1-CG 4.16Å; L113-D115 PolarHBondContact O-N 2.99Å; L113-V116 HydrophobicContact CB-CB 3.97Å; L113-V116 HydrophobicContact CB-CG2 3.91Å; L113-V116 HydrophobicContact CD1-CG2 4.3Å; L113-V116 PolarHBondContact O-N 2.94Å; L113-L121 HydrophobicContact CD1-CD1 4.43Å; L113-Y149 HydrophobicContact CD2-CE1 3.77Å; L113-L150 HydrophobicContact CD1-CD2 3.79Å
114	N	91.4	Very high	94.4	Very high	82 Å²	82	62.1 Å²	62.1	44%	0.439	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.2	-171.5	-74.7	-34.1	0	0	0	114.6	K80	K80-N114 VanDerWaalsContact CD-O 3.25Å; K80-N114 WeakPolarHBondContact CD-O 3.42Å; K80-N114 WeakPolarHBondContact CE-O 3.41Å; K80-N114 HydrophobicContact CG-CB 4.11Å; K80-N114 WeakPolarHBondContact CG-O 3.25Å; K80-N114 PolarHBondContact NZ-O 3.2Å
115	D	90.7	Very high	94.5	Very high	126 Å²	126	53 Å²	53	67%	0.674	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.3	-178.8	-56.5	-43.7	0	0	0	113	K80 L113	K80-D115 IonicContact NZ-OD1 3.88Å; L113-D115 PolarHBondContact O-N 2.99Å
116	V	94.3	Very high	94.4	Very high	11 Å²	11	52.6 Å²	52.6	7%	0.067	29%	0.288	C	S	.	.	S	Bend	trans	-96.2	137.7	-179.6	174.2	0	0	0	0	110.6	T79 L113 L121 T146 Y149	T79-V116 WeakPolarHBondContact CG2-O 3.36Å; L113-V116 HydrophobicContact CB-CB 3.97Å; L113-V116 HydrophobicContact CB-CG2 3.91Å; L113-V116 HydrophobicContact CD1-CG2 4.3Å; L113-V116 PolarHBondContact O-N 2.94Å; V116-L121 HydrophobicContact CG1-CB 3.93Å; V116-T146 HydrophobicContact CG1-CG2 3.46Å; V116-T146 VanDerWaalsContact CG1-CG2 3.46Å; V116-Y149 HydrophobicContact CG2-CD1 3.82Å; V116-Y149 HydrophobicContact CG2-CE1 4.15Å; V116-Y149 HydrophobicContact CG2-CG 4.05Å
117	S	94.1	Very high	94.5	Very high	38 Å²	38	50.1 Å²	50.1	27%	0.266	27%	0.268	S	S	.	.			trans	-71.4	138.8	177.5	106	0	0	0	0	110.9	L119 G120 L121	S117-L119 PolarHBondContact O-N 2.74Å; S117-L119 PolarHBondContact OG-N 3.27Å; S117-G120 PolarHBondContact O-N 3.16Å; S117-G120 PolarHBondContact OG-N 3.37Å; S117-L121 PolarHBondContact O-N 3.25Å
118	P	94.9	Very high	94.6	Very high	36 Å²	36	45.4 Å²	45.4	23%	0.234	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-32.6	176.5	-22.2	30	0	0	0	113.3	T81 K82 A122	T81-P118 WeakPolarHBondContact OG1-CG 3.41Å; K82-P118 HydrophobicContact CB-CB 4.29Å; K82-P118 HydrophobicContact CD-CB 4.15Å; K82-P118 HydrophobicContact CG-CB 4.32Å; P118-A122 VanDerWaalsContact O-CB 3.25Å; P118-A122 WeakPolarHBondContact O-CB 3.25Å; P118-A122 PolarHBondContact O-N 3.35Å
119	L	93.7	Very high	94.6	Very high	88 Å²	88	44.3 Å²	44.3	46%	0.461	23%	0.233	S	C	.	.	H	α-helix	trans	-68.5	-50.4	177.5	176.7	63.9	0	0	0	111	S117 L121 A122 T123 T139	S117-L119 PolarHBondContact O-N 2.74Å; S117-L119 PolarHBondContact OG-N 3.27Å; L119-L121 VanDerWaalsContact C-N 3.31Å; L119-L121 PolarHBondContact O-N 3.47Å; L119-A122 PolarHBondContact O-N 2.9Å; L119-T123 PolarHBondContact O-N 2.9Å; L119-T123 PolarHBondContact O-OG1 2.92Å; L119-T123 VanDerWaalsContact O-OG1 3.12Å; L119-T139 HydrophobicContact CD2-CG2 3.84Å
120	G	94.1	Very high	94.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-42.6	179.7	0	0	0	0	0	111.3	S117 T123 V124 T146	S117-G120 PolarHBondContact O-N 3.16Å; S117-G120 PolarHBondContact OG-N 3.37Å; G120-T123 PolarHBondContact O-N 3.49Å; G120-V124 WeakPolarHBondContact O-CG2 3.38Å; G120-V124 PolarHBondContact O-N 3.35Å; G120-T146 WeakPolarHBondContact CA-OG1 3.46Å
121	L	95.8	Very high	94.2	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-45.3	175.6	-175.3	61.8	0	0	0	112.3	I77 T79 F84 L113 V116 S117 L119 T123 V124 I125 L150	I77-L121 HydrophobicContact CB-CD2 4.35Å; I77-L121 HydrophobicContact CG2-CD1 4.19Å; I77-L121 HydrophobicContact CG2-CD2 3.65Å; T79-L121 HydrophobicContact CG2-CB 4.37Å; T79-L121 HydrophobicContact CG2-CD2 3.62Å; F84-L121 HydrophobicContact CD2-CD2 3.62Å; F84-L121 HydrophobicContact CD2-CG 4.19Å; F84-L121 HydrophobicContact CE2-CB 4.48Å; F84-L121 HydrophobicContact CE2-CD2 3.79Å; F84-L121 HydrophobicContact CE2-CG 4.23Å; L113-L121 HydrophobicContact CD1-CD1 4.43Å; V116-L121 HydrophobicContact CG1-CB 3.93Å; S117-L121 PolarHBondContact O-N 3.25Å; L119-L121 VanDerWaalsContact C-N 3.31Å; L119-L121 PolarHBondContact O-N 3.47Å; L121-T123 VanDerWaalsContact C-N 3.27Å; L121-T123 PolarHBondContact O-N 3.23Å; L121-V124 PolarHBondContact O-N 3.17Å; L121-I125 HydrophobicContact CD1-CD1 4.04Å; L121-I125 HydrophobicContact CD1-CG1 4.17Å; L121-I125 HydrophobicContact CD2-CD1 4.43Å; L121-I125 HydrophobicContact CG-CD1 3.8Å; L121-I125 HydrophobicContact CG-CG1 4.35Å; L121-I125 VanDerWaalsContact O-CG1 3.25Å; L121-I125 WeakPolarHBondContact O-CG1 3.48Å; L121-I125 PolarHBondContact O-N 2.67Å; L121-L150 HydrophobicContact CD1-CD1 4.09Å
122	A	94.6	Very high	93.9	Very high	28 Å²	28	42 Å²	42	23%	0.231	24%	0.24	C	C	.	.	H	α-helix	trans	-59.1	-40.7	177	0	0	0	0	0	111.7	F84 P118 L119 T126	F84-A122 HydrophobicContact CE1-CB 3.93Å; F84-A122 HydrophobicContact CZ-CB 3.97Å; P118-A122 VanDerWaalsContact O-CB 3.25Å; P118-A122 WeakPolarHBondContact O-CB 3.25Å; P118-A122 PolarHBondContact O-N 3.35Å; L119-A122 PolarHBondContact O-N 2.9Å; A122-T126 WeakPolarHBondContact O-CB 3.42Å; A122-T126 PolarHBondContact O-N 3.02Å; A122-T126 PolarHBondContact O-OG1 3.32Å
123	T	94.4	Very high	93.6	Very high	25 Å²	25	40 Å²	40	15%	0.153	23%	0.229	C	C	.	.	H	α-helix	trans	-67.7	-43.4	177.3	-59.8	0	0	0	0	112	L119 G120 L121 I125 T126 Y127 L133 I143	L119-T123 PolarHBondContact O-N 2.9Å; L119-T123 PolarHBondContact O-OG1 2.92Å; L119-T123 VanDerWaalsContact O-OG1 3.12Å; G120-T123 PolarHBondContact O-N 3.49Å; L121-T123 VanDerWaalsContact C-N 3.27Å; L121-T123 PolarHBondContact O-N 3.23Å; T123-I125 PolarHBondContact O-N 3.32Å; T123-T126 WeakPolarHBondContact O-CB 3.47Å; T123-T126 PolarHBondContact O-N 2.93Å; T123-Y127 WeakPolarHBondContact O-CB 3.5Å; T123-Y127 PolarHBondContact O-N 3.26Å; T123-L133 HydrophobicContact CG2-CD1 3.38Å; T123-I143 HydrophobicContact CG2-CD1 3.88Å; T123-I143 HydrophobicContact CG2-CG1 4.05Å; T123-I143 HydrophobicContact CG2-CG2 4.34Å
124	V	95.4	Very high	93.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-46.3	174.8	164.5	0	0	0	0	111.7	M91 G120 L121 T126 Y127 A128 T146 L150 I152 L155	M91-V124 HydrophobicContact CE-CG1 4.48Å; G120-V124 WeakPolarHBondContact O-CG2 3.38Å; G120-V124 PolarHBondContact O-N 3.35Å; L121-V124 PolarHBondContact O-N 3.17Å; V124-T126 VanDerWaalsContact C-N 3.31Å; V124-T126 PolarHBondContact O-N 3.16Å; V124-Y127 WeakPolarHBondContact O-CB 3.37Å; V124-Y127 PolarHBondContact O-N 3.1Å; V124-A128 PolarHBondContact O-N 3.41Å; V124-T146 HydrophobicContact CB-CG2 4.49Å; V124-T146 HydrophobicContact CG2-CG2 3.82Å; V124-L150 HydrophobicContact CG1-CD1 3.86Å; V124-I152 HydrophobicContact CB-CD1 4.48Å; V124-I152 HydrophobicContact CG1-CD1 3.29Å; V124-I152 HydrophobicContact CG2-CD1 4.4Å; V124-L155 HydrophobicContact CB-CD2 4.48Å; V124-L155 HydrophobicContact CG2-CD2 3.55Å
125	I	95.4	Very high	93.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-44.1	177.7	-64.6	169.2	0	0	0	108.9	F84 V86 M91 L121 T123 Y127 A128 Y129	F84-I125 HydrophobicContact CB-CD1 3.61Å; F84-I125 HydrophobicContact CD1-CD1 4.25Å; F84-I125 HydrophobicContact CD2-CD1 4.18Å; F84-I125 HydrophobicContact CG-CD1 3.77Å; V86-I125 HydrophobicContact CG1-CD1 3.87Å; V86-I125 HydrophobicContact CG1-CG1 4.2Å; V86-I125 HydrophobicContact CG1-CG2 3.76Å; M91-I125 HydrophobicContact CE-CG1 4.43Å; M91-I125 HydrophobicContact SD-CG1 4.33Å; L121-I125 HydrophobicContact CD1-CD1 4.04Å; L121-I125 HydrophobicContact CD1-CG1 4.17Å; L121-I125 HydrophobicContact CD2-CD1 4.43Å; L121-I125 HydrophobicContact CG-CD1 3.8Å; L121-I125 HydrophobicContact CG-CG1 4.35Å; L121-I125 VanDerWaalsContact O-CG1 3.25Å; L121-I125 WeakPolarHBondContact O-CG1 3.48Å; L121-I125 PolarHBondContact O-N 2.67Å; T123-I125 PolarHBondContact O-N 3.32Å; I125-Y127 VanDerWaalsContact C-N 3.28Å; I125-Y127 PolarHBondContact O-N 3.3Å; I125-A128 PolarHBondContact O-N 2.91Å; I125-A128 VanDerWaalsContact O-N 3.16Å; I125-Y129 HydrophobicContact CG2-CD2 3.86Å; I125-Y129 HydrophobicContact CG2-CE2 3.92Å; I125-Y129 VanDerWaalsContact O-CD2 3.27Å; I125-Y129 WeakPolarHBondContact O-CD2 3.27Å; I125-Y129 PolarHBondContact O-N 2.84Å
126	T	94.1	Very high	93.4	Very high	63 Å²	63	39.8 Å²	39.8	39%	0.387	24%	0.236	S	C	.	.	H	α-helix	trans	-58.3	-43.3	176.8	-59	0	0	0	0	111.5	A122 T123 V124 Y129 T130	A122-T126 WeakPolarHBondContact O-CB 3.42Å; A122-T126 PolarHBondContact O-N 3.02Å; A122-T126 PolarHBondContact O-OG1 3.32Å; T123-T126 WeakPolarHBondContact O-CB 3.47Å; T123-T126 PolarHBondContact O-N 2.93Å; V124-T126 VanDerWaalsContact C-N 3.31Å; V124-T126 PolarHBondContact O-N 3.16Å; T126-Y129 PolarHBondContact O-N 2.93Å; T126-T130 HydrophobicContact CG2-CG2 4.33Å; T126-T130 WeakPolarHBondContact O-CB 3.5Å; T126-T130 WeakPolarHBondContact O-CG2 3.35Å; T126-T130 PolarHBondContact O-N 3.47Å; T126-T130 PolarHBondContact O-OG1 3.48Å
127	Y	95.3	Very high	93.3	Very high	36 Å²	36	41.2 Å²	41.2	14%	0.141	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-47.9	174.2	167	-106.8	0	0	0	112	T123 V124 I125 Y129 T130 G131 I152 T154 L155 M158	T123-Y127 WeakPolarHBondContact O-CB 3.5Å; T123-Y127 PolarHBondContact O-N 3.26Å; V124-Y127 WeakPolarHBondContact O-CB 3.37Å; V124-Y127 PolarHBondContact O-N 3.1Å; I125-Y127 VanDerWaalsContact C-N 3.28Å; I125-Y127 PolarHBondContact O-N 3.3Å; Y127-Y129 PolarHBondContact O-N 3.46Å; Y127-Y129 VanDerWaalsContact O-N 3.16Å; Y127-T130 PolarHBondContact O-N 2.97Å; Y127-G131 WeakPolarHBondContact O-CA 3.45Å; Y127-G131 PolarHBondContact O-N 3.18Å; Y127-I152 HydrophobicContact CE1-CG2 4.04Å; Y127-T154 WeakPolarHBondContact OH-CG2 3.47Å; Y127-L155 HydrophobicContact CD1-CD2 4.33Å; Y127-L155 HydrophobicContact CE1-CB 4.37Å; Y127-L155 HydrophobicContact CG-CD1 4.41Å; Y127-M158 HydrophobicContact CD2-CE 3.84Å; Y127-M158 HydrophobicContact CE1-CE 4.5Å; Y127-M158 HydrophobicContact CE2-CE 3.28Å; Y127-M158 HydrophobicContact CE2-SD 4.38Å
128	A	95.3	Very high	93.2	Very high	7 Å²	7	50 Å²	50	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-58.7	-31	-179.5	0	0	0	0	0	113.2	V90 M91 V124 I125	V90-A128 HydrophobicContact CG1-CB 4.01Å; M91-A128 HydrophobicContact SD-CB 4.25Å; V124-A128 PolarHBondContact O-N 3.41Å; I125-A128 PolarHBondContact O-N 2.91Å; I125-A128 VanDerWaalsContact O-N 3.16Å
129	Y	95.3	Very high	93.1	Very high	1 Å²	1	50 Å²	50	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-94.7	-15.1	-179.7	-78.9	-81.2	0	0	0	115	L60 L63 R67 H87 V90 I125 T126 Y127	L60-Y129 CarbonylContact C-O 3.58Å; L63-Y129 HydrophobicContact CB-CD1 3.92Å; L63-Y129 HydrophobicContact CB-CE1 4.05Å; L63-Y129 WeakPolarHBondContact O-CE1 3.48Å; R67-Y129 HydrophobicContact CB-CD1 4.38Å; R67-Y129 HydrophobicContact CB-CE1 3.99Å; R67-Y129 HydrophobicContact CG-CE2 4.31Å; H87-Y129 VanDerWaalsContact CB-OH 3.26Å; H87-Y129 WeakPolarHBondContact CB-OH 3.47Å; H87-Y129 PolarHBondContact N-OH 3.4Å; H87-Y129 AromaticContact ND1-CE1 3.64Å; H87-Y129 AromaticContact ND1-CZ 3.59Å; H87-Y129 PolarHBondContact ND1-OH 3.13Å; V90-Y129 HydrophobicContact CB-CE1 4.18Å; V90-Y129 HydrophobicContact CB-CE2 4.43Å; V90-Y129 HydrophobicContact CG1-CD1 4.28Å; V90-Y129 HydrophobicContact CG1-CD2 4.23Å; V90-Y129 HydrophobicContact CG1-CE1 3.94Å; V90-Y129 HydrophobicContact CG1-CE2 3.88Å; V90-Y129 HydrophobicContact CG1-CG 4.41Å; V90-Y129 HydrophobicContact CG2-CE1 3.83Å; I125-Y129 HydrophobicContact CG2-CD2 3.86Å; I125-Y129 HydrophobicContact CG2-CE2 3.92Å; I125-Y129 VanDerWaalsContact O-CD2 3.27Å; I125-Y129 WeakPolarHBondContact O-CD2 3.27Å; I125-Y129 PolarHBondContact O-N 2.84Å; T126-Y129 PolarHBondContact O-N 2.93Å; Y127-Y129 PolarHBondContact O-N 3.46Å; Y127-Y129 VanDerWaalsContact O-N 3.16Å
130	T	92.9	Very high	93.1	Very high	47 Å²	47	45.9 Å²	45.9	29%	0.288	25%	0.25	S	C	.	.	H	α-helix	trans	-125.5	-18.7	-172.3	65.1	0	0	0	0	113.9	T126 Y127 K132	T126-T130 HydrophobicContact CG2-CG2 4.33Å; T126-T130 WeakPolarHBondContact O-CB 3.5Å; T126-T130 WeakPolarHBondContact O-CG2 3.35Å; T126-T130 PolarHBondContact O-N 3.47Å; T126-T130 PolarHBondContact O-OG1 3.48Å; Y127-T130 PolarHBondContact O-N 2.97Å; T130-K132 PolarHBondContact O-N 3.1Å; T130-K132 VanDerWaalsContact O-N 3.15Å; T130-K132 PolarHBondContact OG1-N 3.43Å; T130-K132 VanDerWaalsContact OG1-N 3.14Å; T130-K132 PolarHBondContact OG1-O 3.24Å
131	G	90.1	Very high	93.1	Very high	46 Å²	46	46.5 Å²	46.5	47%	0.474	26%	0.256	S	S	.	.	S	Bend	trans	64.5	5.5	-167.8	0	0	0	0	0	114	Y127	Y127-G131 WeakPolarHBondContact O-CA 3.45Å; Y127-G131 PolarHBondContact O-N 3.18Å
132	K	88.9	Confident	93.1	Very high	162 Å²	162	47.8 Å²	47.8	70%	0.704	27%	0.265	S	S	*	.			trans	-110.9	151.3	-175.3	-65.9	177.3	-176.1	177.2	0	110.8	T130	T130-K132 PolarHBondContact O-N 3.1Å; T130-K132 VanDerWaalsContact O-N 3.15Å; T130-K132 PolarHBondContact OG1-N 3.43Å; T130-K132 VanDerWaalsContact OG1-N 3.14Å; T130-K132 PolarHBondContact OG1-O 3.24Å
133	L	89.3	Confident	93.1	Very high	44 Å²	44	46.5 Å²	46.5	23%	0.23	25%	0.254	C	S	.	.			trans	-142.1	136.7	-177.1	-168	68.8	0	0	0	110.1	T123 L135 L155 M158	T123-L133 HydrophobicContact CG2-CD1 3.38Å; L133-L135 HydrophobicContact CD1-CD2 4.32Å; L133-L135 HydrophobicContact CD2-CD1 3.72Å; L133-L135 HydrophobicContact CD2-CD2 3.55Å; L133-L135 HydrophobicContact CD2-CG 3.59Å; L133-L135 HydrophobicContact CG-CD1 4.46Å; L133-L135 HydrophobicContact CG-CD2 3.75Å; L133-L135 HydrophobicContact CG-CG 3.81Å; L133-L155 HydrophobicContact CD1-CD1 3.76Å; L133-L155 HydrophobicContact CD2-CD1 3.34Å; L133-L155 HydrophobicContact CG-CD1 4.17Å; L133-M158 HydrophobicContact CD2-CB 4.38Å; L133-M158 HydrophobicContact CD2-CE 4.15Å
134	T	88.9	Confident	93.2	Very high	128 Å²	128	45.3 Å²	45.3	79%	0.785	25%	0.247	S	C	*	.			trans	-113.6	112	170.6	-54.2	0	0	0	0	107.8
135	L	91.9	Very high	93.3	Very high	33 Å²	33	47.7 Å²	47.7	17%	0.173	26%	0.264	C	S	.	.			trans	-105.1	145.7	-177.7	-67.2	-179.9	0	0	0	110.9	L133 I140 I143 F162	L133-L135 HydrophobicContact CD1-CD2 4.32Å; L133-L135 HydrophobicContact CD2-CD1 3.72Å; L133-L135 HydrophobicContact CD2-CD2 3.55Å; L133-L135 HydrophobicContact CD2-CG 3.59Å; L133-L135 HydrophobicContact CG-CD1 4.46Å; L133-L135 HydrophobicContact CG-CD2 3.75Å; L133-L135 HydrophobicContact CG-CG 3.81Å; L135-I140 HydrophobicContact CD1-CD1 4.43Å; L135-I143 HydrophobicContact CD2-CD1 3.65Å; L135-I143 HydrophobicContact CD2-CG2 4.45Å; L135-F162 HydrophobicContact CB-CD1 4.01Å; L135-F162 HydrophobicContact CB-CD2 3.91Å; L135-F162 HydrophobicContact CB-CE1 4.03Å; L135-F162 HydrophobicContact CB-CE2 3.95Å; L135-F162 HydrophobicContact CB-CG 3.93Å; L135-F162 HydrophobicContact CB-CZ 4Å; L135-F162 HydrophobicContact CD1-CB 3.49Å; L135-F162 VanDerWaalsContact CD1-CB 3.49Å; L135-F162 HydrophobicContact CD1-CD1 4.08Å; L135-F162 HydrophobicContact CD1-CD2 4.19Å; L135-F162 HydrophobicContact CD1-CG 3.65Å; L135-F162 HydrophobicContact CG-CG 4.45Å
136	S	93.3	Very high	93.3	Very high	42 Å²	42	47.7 Å²	47.7	29%	0.294	26%	0.264	S	S	.	.			trans	-146.3	152.8	166.2	75.8	0	0	0	0	109.2	Y138 T139 I140	S136-Y138 PolarHBondContact O-N 3.07Å; S136-Y138 VanDerWaalsContact O-N 3.13Å; S136-T139 PolarHBondContact O-N 2.96Å; S136-T139 VanDerWaalsContact O-N 3.08Å; S136-T139 PolarHBondContact O-OG1 3Å; S136-T139 PolarHBondContact OG-N 3.43Å; S136-T139 PolarHBondContact OG-OG1 3.13Å; S136-I140 WeakPolarHBondContact O-CB 3.25Å; S136-I140 PolarHBondContact O-N 3.27Å
137	L	92.6	Very high	93.4	Very high	41 Å²	41	44.7 Å²	44.7	22%	0.215	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.5	177.9	-65.7	175.6	0	0	0	112.1	T139 I140 F162 L163 N171 Y174	L137-T139 PolarHBondContact O-N 3.16Å; L137-I140 WeakPolarHBondContact O-CG2 3.5Å; L137-F162 HydrophobicContact CD2-CE1 4.1Å; L137-L163 HydrophobicContact CD2-CD2 3.93Å; L137-N171 HydrophobicContact CD1-CB 4.42Å; L137-Y174 HydrophobicContact CB-CE1 4.2Å; L137-Y174 HydrophobicContact CD2-CE1 4.32Å; L137-Y174 PolarHBondContact O-OH 2.95Å
138	Y	90.9	Very high	93.5	Very high	222 Å²	222	46.4 Å²	46.4	87%	0.871	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-30.8	178.4	-60.1	-79	0	0	0	114.2	S136	S136-Y138 PolarHBondContact O-N 3.07Å; S136-Y138 VanDerWaalsContact O-N 3.13Å
139	T	91.9	Very high	93.6	Very high	38 Å²	38	50.5 Å²	50.5	23%	0.233	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-16.7	-174.1	63.3	0	0	0	0	113.1	L119 S136 L137 G141 S142 I143	L119-T139 HydrophobicContact CD2-CG2 3.84Å; S136-T139 PolarHBondContact O-N 2.96Å; S136-T139 VanDerWaalsContact O-N 3.08Å; S136-T139 PolarHBondContact O-OG1 3Å; S136-T139 PolarHBondContact OG-N 3.43Å; S136-T139 PolarHBondContact OG-OG1 3.13Å; L137-T139 PolarHBondContact O-N 3.16Å; T139-G141 PolarHBondContact O-N 3.1Å; T139-S142 WeakPolarHBondContact O-CB 3.37Å; T139-S142 PolarHBondContact O-N 2.87Å; T139-S142 VanDerWaalsContact O-N 3.1Å; T139-S142 PolarHBondContact O-OG 3.36Å; T139-I143 PolarHBondContact O-N 2.7Å
140	I	94.8	Very high	93.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.5	-39.5	-167.6	-165.7	151.2	0	0	0	114.2	L135 S136 L137 S142 I143 I144 C159 F162 L163 I178	L135-I140 HydrophobicContact CD1-CD1 4.43Å; S136-I140 WeakPolarHBondContact O-CB 3.25Å; S136-I140 PolarHBondContact O-N 3.27Å; L137-I140 WeakPolarHBondContact O-CG2 3.5Å; I140-S142 VanDerWaalsContact C-N 3.25Å; I140-S142 PolarHBondContact O-N 3.06Å; I140-I143 PolarHBondContact O-N 2.96Å; I140-I144 HydrophobicContact CD1-CD1 4.37Å; I140-I144 HydrophobicContact CG1-CD1 3.63Å; I140-I144 HydrophobicContact CG1-CG1 4.02Å; I140-I144 WeakPolarHBondContact O-CG1 3.45Å; I140-I144 PolarHBondContact O-N 3.27Å; I140-C159 HydrophobicContact CD1-CB 4.2Å; I140-C159 HydrophobicContact CG1-CB 4.3Å; I140-F162 HydrophobicContact CD1-CD1 3.3Å; I140-F162 HydrophobicContact CD1-CE1 3.76Å; I140-F162 HydrophobicContact CD1-CG 4.34Å; I140-L163 HydrophobicContact CD1-CD1 4.33Å; I140-L163 HydrophobicContact CD1-CD2 3.82Å; I140-L163 HydrophobicContact CD1-CG 3.71Å; I140-L163 HydrophobicContact CG2-CD2 4.2Å; I140-I178 HydrophobicContact CG2-CD1 3.99Å
141	G	94.4	Very high	93.8	Very high	13 Å²	13	51.9 Å²	51.9	13%	0.134	27%	0.274	C	S	.	.	H	α-helix	trans	-58.2	-40.1	178.3	0	0	0	0	0	112.2	T139 I143 S145 Y182	T139-G141 PolarHBondContact O-N 3.1Å; G141-I143 VanDerWaalsContact C-N 3.33Å; G141-I143 PolarHBondContact O-N 3.46Å; G141-S145 VanDerWaalsContact O-CB 3.3Å; G141-S145 WeakPolarHBondContact O-CB 3.47Å; G141-S145 PolarHBondContact O-N 3.35Å; G141-Y182 PolarHBondContact O-OH 3.3Å; G141-Y182 VanDerWaalsContact O-OH 3.13Å
142	S	94.3	Very high	94.2	Very high	28 Å²	28	50 Å²	50	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-68.3	-33.4	177.9	78	0	0	0	0	113	T139 I140 T146	T139-S142 WeakPolarHBondContact O-CB 3.37Å; T139-S142 PolarHBondContact O-N 2.87Å; T139-S142 VanDerWaalsContact O-N 3.1Å; T139-S142 PolarHBondContact O-OG 3.36Å; I140-S142 VanDerWaalsContact C-N 3.25Å; I140-S142 PolarHBondContact O-N 3.06Å; S142-T146 WeakPolarHBondContact O-CB 3.49Å; S142-T146 PolarHBondContact O-N 3.27Å; S142-T146 PolarHBondContact O-OG1 3.44Å
143	I	96	Very high	94.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-73.7	-47.1	178.7	-60.2	166.7	0	0	0	109.7	T123 L135 T139 I140 G141 T146 A147 L155	T123-I143 HydrophobicContact CG2-CD1 3.88Å; T123-I143 HydrophobicContact CG2-CG1 4.05Å; T123-I143 HydrophobicContact CG2-CG2 4.34Å; L135-I143 HydrophobicContact CD2-CD1 3.65Å; L135-I143 HydrophobicContact CD2-CG2 4.45Å; T139-I143 PolarHBondContact O-N 2.7Å; I140-I143 PolarHBondContact O-N 2.96Å; G141-I143 VanDerWaalsContact C-N 3.33Å; G141-I143 PolarHBondContact O-N 3.46Å; I143-T146 PolarHBondContact O-N 3.16Å; I143-A147 VanDerWaalsContact O-CB 3.31Å; I143-A147 WeakPolarHBondContact O-CB 3.31Å; I143-A147 PolarHBondContact O-N 2.84Å; I143-L155 HydrophobicContact CG2-CD1 4.46Å; I143-L155 HydrophobicContact CG2-CD2 4.31Å; I143-L155 HydrophobicContact CG2-CG 4.43Å
144	I	96.4	Very high	94.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-50	178	-67.9	168	0	0	0	110.6	I140 T146 A147 I148 C159 L163 I178 Y182 L184	I140-I144 HydrophobicContact CD1-CD1 4.37Å; I140-I144 HydrophobicContact CG1-CD1 3.63Å; I140-I144 HydrophobicContact CG1-CG1 4.02Å; I140-I144 WeakPolarHBondContact O-CG1 3.45Å; I140-I144 PolarHBondContact O-N 3.27Å; I144-T146 VanDerWaalsContact C-N 3.25Å; I144-T146 PolarHBondContact O-N 3.05Å; I144-A147 PolarHBondContact O-N 3.15Å; I144-A147 VanDerWaalsContact O-N 3.16Å; I144-I148 HydrophobicContact CG2-CD1 3.63Å; I144-I148 HydrophobicContact CG2-CG1 4.24Å; I144-I148 WeakPolarHBondContact O-CG1 3.36Å; I144-I148 PolarHBondContact O-N 3.2Å; I144-C159 HydrophobicContact CD1-CB 3.97Å; I144-C159 HydrophobicContact CG1-CB 3.51Å; I144-L163 HydrophobicContact CD1-CD1 3.81Å; I144-I178 HydrophobicContact CD1-CG2 4.04Å; I144-Y182 HydrophobicContact CB-CD2 4.32Å; I144-Y182 HydrophobicContact CB-CG 4.42Å; I144-Y182 HydrophobicContact CG2-CD1 3.97Å; I144-Y182 HydrophobicContact CG2-CD2 3.81Å; I144-Y182 HydrophobicContact CG2-CE2 4.49Å; I144-Y182 HydrophobicContact CG2-CG 3.52Å; I144-L184 HydrophobicContact CD1-CD1 3.95Å; I144-L184 HydrophobicContact CG2-CD1 4.39Å; I144-L184 HydrophobicContact CG2-CD2 4.42Å
145	S	96.2	Very high	95	Very high	50 Å²	50	44.3 Å²	44.3	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-53.2	-46.3	177.6	-177.3	0	0	0	0	111.5	G141 Y149	G141-S145 VanDerWaalsContact O-CB 3.3Å; G141-S145 WeakPolarHBondContact O-CB 3.47Å; G141-S145 PolarHBondContact O-N 3.35Å; S145-Y149 VanDerWaalsContact O-CB 3.31Å; S145-Y149 WeakPolarHBondContact O-CB 3.45Å; S145-Y149 PolarHBondContact O-N 3.05Å
146	T	96.6	Very high	95.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-68.6	-42.4	179.2	-51.5	0	0	0	0	112.3	V116 G120 V124 S142 I143 I144 Y149 L150	V116-T146 HydrophobicContact CG1-CG2 3.46Å; V116-T146 VanDerWaalsContact CG1-CG2 3.46Å; G120-T146 WeakPolarHBondContact CA-OG1 3.46Å; V124-T146 HydrophobicContact CB-CG2 4.49Å; V124-T146 HydrophobicContact CG2-CG2 3.82Å; S142-T146 WeakPolarHBondContact O-CB 3.49Å; S142-T146 PolarHBondContact O-N 3.27Å; S142-T146 PolarHBondContact O-OG1 3.44Å; I143-T146 PolarHBondContact O-N 3.16Å; I144-T146 VanDerWaalsContact C-N 3.25Å; I144-T146 PolarHBondContact O-N 3.05Å; T146-Y149 PolarHBondContact O-N 3.18Å; T146-L150 HydrophobicContact CG2-CD1 3.71Å; T146-L150 HydrophobicContact CG2-CG 4.24Å; T146-L150 VanDerWaalsContact O-CB 3.31Å; T146-L150 WeakPolarHBondContact O-CB 3.42Å; T146-L150 WeakPolarHBondContact O-CG 3.35Å; T146-L150 PolarHBondContact O-N 3.23Å
147	A	96.7	Very high	95.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-40.2	179.7	0	0	0	0	0	112	I143 I144 Q151 I152 L155 V156	I143-A147 VanDerWaalsContact O-CB 3.31Å; I143-A147 WeakPolarHBondContact O-CB 3.31Å; I143-A147 PolarHBondContact O-N 2.84Å; I144-A147 PolarHBondContact O-N 3.15Å; I144-A147 VanDerWaalsContact O-N 3.16Å; A147-Q151 PolarHBondContact O-N 3.14Å; A147-I152 PolarHBondContact O-N 2.81Å; A147-L155 HydrophobicContact CB-CB 4.06Å; A147-L155 HydrophobicContact CB-CD2 3.74Å; A147-L155 HydrophobicContact CB-CG 3.84Å; A147-V156 HydrophobicContact CB-CG2 3.77Å
148	I	96.7	Very high	95.4	Very high	71 Å²	71	48.5 Å²	48.5	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-65.9	-49.6	174.7	-69.1	174.1	0	0	0	110.1	I144 L150 Q151 V156 Y182 L184	I144-I148 HydrophobicContact CG2-CD1 3.63Å; I144-I148 HydrophobicContact CG2-CG1 4.24Å; I144-I148 WeakPolarHBondContact O-CG1 3.36Å; I144-I148 PolarHBondContact O-N 3.2Å; I148-L150 VanDerWaalsContact C-N 3.27Å; I148-L150 PolarHBondContact O-N 3.49Å; I148-Q151 PolarHBondContact O-N 3.25Å; I148-V156 HydrophobicContact CG1-CG1 4.39Å; I148-V156 HydrophobicContact CG1-CG2 3.69Å; I148-Y182 HydrophobicContact CD1-CD1 4.26Å; I148-Y182 HydrophobicContact CD1-CG 4.39Å; I148-Y182 WeakPolarHBondContact CD1-O 3.36Å; I148-L184 HydrophobicContact CD1-CD2 4.48Å
149	Y	96.4	Very high	95.7	Very high	93 Å²	93	38 Å²	38	37%	0.365	20%	0.196	S	C	.	.	H	α-helix	trans	-56.8	-43.8	179.4	-175.4	-81.6	0	0	0	111.6	Y97 L113 V116 S145 T146 Q151	Y97-Y149 HydrophobicContact CE1-CE1 4.43Å; Y97-Y149 HydrophobicContact CE2-CE1 4.12Å; L113-Y149 HydrophobicContact CD2-CE1 3.77Å; V116-Y149 HydrophobicContact CG2-CD1 3.82Å; V116-Y149 HydrophobicContact CG2-CE1 4.15Å; V116-Y149 HydrophobicContact CG2-CG 4.05Å; S145-Y149 VanDerWaalsContact O-CB 3.31Å; S145-Y149 WeakPolarHBondContact O-CB 3.45Å; S145-Y149 PolarHBondContact O-N 3.05Å; T146-Y149 PolarHBondContact O-N 3.18Å; Y149-Q151 VanDerWaalsContact C-N 3.28Å; Y149-Q151 PolarHBondContact O-N 3.19Å
150	L	96.9	Very high	95.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	3.3	179.1	-64.4	180	0	0	0	113.9	S95 Y97 F98 L113 L121 V124 T146 I148 I152	S95-L150 WeakPolarHBondContact CB-O 3.35Å; S95-L150 PolarHBondContact OG-O 3.17Å; Y97-L150 WeakPolarHBondContact CB-O 3.45Å; Y97-L150 HydrophobicContact CD1-CD2 3.61Å; Y97-L150 HydrophobicContact CE1-CD2 4.1Å; Y97-L150 HydrophobicContact CG-CD2 4.17Å; F98-L150 HydrophobicContact CD2-CD2 4.21Å; F98-L150 HydrophobicContact CE2-CD1 4.11Å; F98-L150 HydrophobicContact CE2-CD2 3.54Å; F98-L150 HydrophobicContact CE2-CG 4.41Å; F98-L150 HydrophobicContact CZ-CD2 4.03Å; L113-L150 HydrophobicContact CD1-CD2 3.79Å; L121-L150 HydrophobicContact CD1-CD1 4.09Å; V124-L150 HydrophobicContact CG1-CD1 3.86Å; T146-L150 HydrophobicContact CG2-CD1 3.71Å; T146-L150 HydrophobicContact CG2-CG 4.24Å; T146-L150 VanDerWaalsContact O-CB 3.31Å; T146-L150 WeakPolarHBondContact O-CB 3.42Å; T146-L150 WeakPolarHBondContact O-CG 3.35Å; T146-L150 PolarHBondContact O-N 3.23Å; I148-L150 VanDerWaalsContact C-N 3.27Å; I148-L150 PolarHBondContact O-N 3.49Å; L150-I152 HydrophobicContact CB-CD1 4.05Å; L150-I152 HydrophobicContact CB-CG1 3.95Å; L150-I152 PolarHBondContact O-N 2.65Å
151	Q	97.4	Very high	96	Very high	78 Å²	78	40 Å²	40	36%	0.364	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	48.2	178.1	-56.3	173.4	16.3	0	0	112.6	D96 A147 I148 Y149	D96-Q151 HydrophobicContact CB-CB 3.84Å; A147-Q151 PolarHBondContact O-N 3.14Å; I148-Q151 PolarHBondContact O-N 3.25Å; Y149-Q151 VanDerWaalsContact C-N 3.28Å; Y149-Q151 PolarHBondContact O-N 3.19Å
152	I	96.9	Very high	96.1	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	21%	0.209	C	C	.	.			trans	-102.7	78.4	177.2	-50.3	-176.3	0	0	0	108.7	S94 V124 Y127 A147 L150 T154 L155 V156	S94-I152 WeakPolarHBondContact O-CG1 3.47Å; S94-I152 WeakPolarHBondContact O-CG2 3.15Å; V124-I152 HydrophobicContact CB-CD1 4.48Å; V124-I152 HydrophobicContact CG1-CD1 3.29Å; V124-I152 HydrophobicContact CG2-CD1 4.4Å; Y127-I152 HydrophobicContact CE1-CG2 4.04Å; A147-I152 PolarHBondContact O-N 2.81Å; L150-I152 HydrophobicContact CB-CD1 4.05Å; L150-I152 HydrophobicContact CB-CG1 3.95Å; L150-I152 PolarHBondContact O-N 2.65Å; I152-T154 VanDerWaalsContact C-N 3.31Å; I152-T154 PolarHBondContact O-N 2.83Å; I152-L155 HydrophobicContact CB-CB 4.13Å; I152-L155 HydrophobicContact CG2-CB 3.56Å; I152-L155 HydrophobicContact CG2-CD2 4.48Å; I152-L155 PolarHBondContact O-N 2.67Å; I152-V156 PolarHBondContact O-N 3.27Å; I152-V156 VanDerWaalsContact O-N 3.16Å
153	H	94.9	Very high	96.3	Very high	131 Å²	131	40 Å²	40	61%	0.606	20%	0.199	S	C	*	.	H	α-helix	trans	-57.5	-39.4	-172.3	-65.3	-62.2	0	0	0	113.8	D96 L155 V156 K157	D96-H153 IonicContact OD2-CD2 3.62Å; D96-H153 IonicContact OD2-NE2 3.77Å; H153-L155 VanDerWaalsContact C-N 3.28Å; H153-L155 PolarHBondContact O-N 2.89Å; H153-V156 PolarHBondContact O-N 3.14Å; H153-K157 PolarHBondContact O-N 2.91Å
154	T	94.7	Very high	96.4	Very high	84 Å²	84	43.1 Å²	43.1	52%	0.515	22%	0.215	S	C	.	.	H	α-helix	trans	-60.1	-38.5	177.1	-50.3	0	0	0	0	112	Y127 I152 K157 M158	Y127-T154 WeakPolarHBondContact OH-CG2 3.47Å; I152-T154 VanDerWaalsContact C-N 3.31Å; I152-T154 PolarHBondContact O-N 2.83Å; T154-K157 PolarHBondContact O-N 3.5Å; T154-M158 WeakPolarHBondContact O-CG 3.47Å; T154-M158 PolarHBondContact O-N 3.32Å
155	L	95.1	Very high	96.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-72.7	-39.6	179.4	-176.2	59.4	0	0	0	111.6	V124 Y127 L133 I143 A147 I152 H153 K157 M158 C159	V124-L155 HydrophobicContact CB-CD2 4.48Å; V124-L155 HydrophobicContact CG2-CD2 3.55Å; Y127-L155 HydrophobicContact CD1-CD2 4.33Å; Y127-L155 HydrophobicContact CE1-CB 4.37Å; Y127-L155 HydrophobicContact CG-CD1 4.41Å; L133-L155 HydrophobicContact CD1-CD1 3.76Å; L133-L155 HydrophobicContact CD2-CD1 3.34Å; L133-L155 HydrophobicContact CG-CD1 4.17Å; I143-L155 HydrophobicContact CG2-CD1 4.46Å; I143-L155 HydrophobicContact CG2-CD2 4.31Å; I143-L155 HydrophobicContact CG2-CG 4.43Å; A147-L155 HydrophobicContact CB-CB 4.06Å; A147-L155 HydrophobicContact CB-CD2 3.74Å; A147-L155 HydrophobicContact CB-CG 3.84Å; I152-L155 HydrophobicContact CB-CB 4.13Å; I152-L155 HydrophobicContact CG2-CB 3.56Å; I152-L155 HydrophobicContact CG2-CD2 4.48Å; I152-L155 PolarHBondContact O-N 2.67Å; H153-L155 VanDerWaalsContact C-N 3.28Å; H153-L155 PolarHBondContact O-N 2.89Å; L155-K157 VanDerWaalsContact C-N 3.28Å; L155-K157 PolarHBondContact O-N 2.69Å; L155-M158 HydrophobicContact CB-CE 4.34Å; L155-M158 HydrophobicContact CD1-CE 3.61Å; L155-M158 PolarHBondContact O-N 3.07Å; L155-C159 PolarHBondContact O-N 2.78Å; L155-C159 PolarHBondContact O-SG 3.39Å; L155-C159 VanDerWaalsContact O-SG 3.36Å
156	V	96.3	Very high	96.4	Very high	23 Å²	23	52.1 Å²	52.1	14%	0.139	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-42.9	172.3	179.2	0	0	0	0	110.7	A147 I148 I152 H153 C159 S160 L184	A147-V156 HydrophobicContact CB-CG2 3.77Å; I148-V156 HydrophobicContact CG1-CG1 4.39Å; I148-V156 HydrophobicContact CG1-CG2 3.69Å; I152-V156 PolarHBondContact O-N 3.27Å; I152-V156 VanDerWaalsContact O-N 3.16Å; H153-V156 PolarHBondContact O-N 3.14Å; V156-C159 PolarHBondContact O-N 2.87Å; V156-S160 WeakPolarHBondContact O-CB 3.45Å; V156-S160 PolarHBondContact O-N 2.81Å; V156-S160 PolarHBondContact O-OG 2.76Å; V156-L184 HydrophobicContact CG1-CD2 3.68Å
157	K	95.6	Very high	96.4	Very high	124 Å²	124	53.3 Å²	53.3	54%	0.539	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-49.1	175.2	-177.7	-179.9	-178.3	-64.5	0	111.9	H153 T154 L155 C159 S160 D161	H153-K157 PolarHBondContact O-N 2.91Å; T154-K157 PolarHBondContact O-N 3.5Å; L155-K157 VanDerWaalsContact C-N 3.28Å; L155-K157 PolarHBondContact O-N 2.69Å; K157-C159 VanDerWaalsContact C-N 3.32Å; K157-C159 PolarHBondContact O-N 3.48Å; K157-S160 WeakPolarHBondContact O-CA 3.25Å; K157-S160 WeakPolarHBondContact O-CB 3.33Å; K157-S160 PolarHBondContact O-N 3.29Å; K157-S160 VanDerWaalsContact O-N 3.07Å; K157-D161 IonicContact NZ-OD1 2.72Å; K157-D161 IonicContact NZ-OD2 3.56Å; K157-D161 PolarHBondContact NZ-OD2 3.07Å; K157-D161 VanDerWaalsContact O-CG 3.28Å; K157-D161 PolarHBondContact O-N 2.95Å
158	M	95.3	Very high	96.4	Very high	58 Å²	58	55.1 Å²	55.1	29%	0.286	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-39.9	178.1	-70.3	-172.3	-63	0	0	112.7	Y127 L133 T154 L155 S160 D161 F162	Y127-M158 HydrophobicContact CD2-CE 3.84Å; Y127-M158 HydrophobicContact CE1-CE 4.5Å; Y127-M158 HydrophobicContact CE2-CE 3.28Å; Y127-M158 HydrophobicContact CE2-SD 4.38Å; L133-M158 HydrophobicContact CD2-CB 4.38Å; L133-M158 HydrophobicContact CD2-CE 4.15Å; T154-M158 WeakPolarHBondContact O-CG 3.47Å; T154-M158 PolarHBondContact O-N 3.32Å; L155-M158 HydrophobicContact CB-CE 4.34Å; L155-M158 HydrophobicContact CD1-CE 3.61Å; L155-M158 PolarHBondContact O-N 3.07Å; M158-S160 VanDerWaalsContact C-N 3.33Å; M158-D161 PolarHBondContact O-N 2.92Å; M158-F162 WeakPolarHBondContact O-CB 3.3Å; M158-F162 PolarHBondContact O-N 2.98Å
159	C	96.4	Very high	96.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-39.5	173.6	-68.6	0	0	0	0	111.9	I140 I144 L155 V156 K157 L163	I140-C159 HydrophobicContact CD1-CB 4.2Å; I140-C159 HydrophobicContact CG1-CB 4.3Å; I144-C159 HydrophobicContact CD1-CB 3.97Å; I144-C159 HydrophobicContact CG1-CB 3.51Å; L155-C159 PolarHBondContact O-N 2.78Å; L155-C159 PolarHBondContact O-SG 3.39Å; L155-C159 VanDerWaalsContact O-SG 3.36Å; V156-C159 PolarHBondContact O-N 2.87Å; K157-C159 VanDerWaalsContact C-N 3.32Å; K157-C159 PolarHBondContact O-N 3.48Å; C159-L163 VanDerWaalsContact O-CG 3.31Å; C159-L163 WeakPolarHBondContact O-CG 3.33Å; C159-L163 PolarHBondContact O-N 3.2Å
160	S	97	Very high	96.3	Very high	9 Å²	9	55.5 Å²	55.5	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-44.6	176.6	-57.2	0	0	0	0	111.5	V156 K157 M158 L163 I164 T187	V156-S160 WeakPolarHBondContact O-CB 3.45Å; V156-S160 PolarHBondContact O-N 2.81Å; V156-S160 PolarHBondContact O-OG 2.76Å; K157-S160 WeakPolarHBondContact O-CA 3.25Å; K157-S160 WeakPolarHBondContact O-CB 3.33Å; K157-S160 PolarHBondContact O-N 3.29Å; K157-S160 VanDerWaalsContact O-N 3.07Å; M158-S160 VanDerWaalsContact C-N 3.33Å; S160-L163 PolarHBondContact O-N 3.4Å; S160-I164 VanDerWaalsContact O-CG1 3.29Å; S160-I164 WeakPolarHBondContact O-CG1 3.42Å; S160-I164 PolarHBondContact O-N 3.49Å; S160-T187 WeakPolarHBondContact CB-OG1 3.37Å
161	D	96.5	Very high	96.2	Very high	73 Å²	73	56.7 Å²	56.7	39%	0.39	28%	0.282	S	S	.	.	H	α-helix	trans	-63	-43.7	178.3	-66.9	-17.7	0	0	0	110.7	K157 M158 I164 Q165	K157-D161 IonicContact NZ-OD1 2.72Å; K157-D161 IonicContact NZ-OD2 3.56Å; K157-D161 PolarHBondContact NZ-OD2 3.07Å; K157-D161 VanDerWaalsContact O-CG 3.28Å; K157-D161 PolarHBondContact O-N 2.95Å; M158-D161 PolarHBondContact O-N 2.92Å; D161-I164 PolarHBondContact O-N 3.08Å; D161-Q165 WeakPolarHBondContact O-CB 3.4Å; D161-Q165 PolarHBondContact O-N 3.37Å
162	F	96.7	Very high	96.1	Very high	39 Å²	39	53 Å²	53	17%	0.171	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-46	173.9	171.3	-93.2	0	0	0	112.3	L135 L137 I140 M158 I164 Q165 E166	L135-F162 HydrophobicContact CB-CD1 4.01Å; L135-F162 HydrophobicContact CB-CD2 3.91Å; L135-F162 HydrophobicContact CB-CE1 4.03Å; L135-F162 HydrophobicContact CB-CE2 3.95Å; L135-F162 HydrophobicContact CB-CG 3.93Å; L135-F162 HydrophobicContact CB-CZ 4Å; L135-F162 HydrophobicContact CD1-CB 3.49Å; L135-F162 VanDerWaalsContact CD1-CB 3.49Å; L135-F162 HydrophobicContact CD1-CD1 4.08Å; L135-F162 HydrophobicContact CD1-CD2 4.19Å; L135-F162 HydrophobicContact CD1-CG 3.65Å; L135-F162 HydrophobicContact CG-CG 4.45Å; L137-F162 HydrophobicContact CD2-CE1 4.1Å; I140-F162 HydrophobicContact CD1-CD1 3.3Å; I140-F162 HydrophobicContact CD1-CE1 3.76Å; I140-F162 HydrophobicContact CD1-CG 4.34Å; M158-F162 WeakPolarHBondContact O-CB 3.3Å; M158-F162 PolarHBondContact O-N 2.98Å; F162-I164 VanDerWaalsContact C-N 3.29Å; F162-I164 PolarHBondContact O-N 2.84Å; F162-Q165 PolarHBondContact O-N 3.41Å; F162-E166 HydrophobicContact CD1-CG 4.46Å; F162-E166 HydrophobicContact CD2-CG 4.03Å; F162-E166 HydrophobicContact CE1-CG 4.16Å; F162-E166 HydrophobicContact CE2-CG 3.67Å; F162-E166 HydrophobicContact CG-CG 4.43Å; F162-E166 HydrophobicContact CZ-CG 3.75Å; F162-E166 WeakPolarHBondContact O-CG 3.39Å; F162-E166 PolarHBondContact O-N 3.42Å
163	L	97.7	Very high	96	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-41.2	177.8	-75.5	172.5	0	0	0	111.5	L137 I140 I144 C159 S160 E166 I167 I175 I178 L184 T187	L137-L163 HydrophobicContact CD2-CD2 3.93Å; I140-L163 HydrophobicContact CD1-CD1 4.33Å; I140-L163 HydrophobicContact CD1-CD2 3.82Å; I140-L163 HydrophobicContact CD1-CG 3.71Å; I140-L163 HydrophobicContact CG2-CD2 4.2Å; I144-L163 HydrophobicContact CD1-CD1 3.81Å; C159-L163 VanDerWaalsContact O-CG 3.31Å; C159-L163 WeakPolarHBondContact O-CG 3.33Å; C159-L163 PolarHBondContact O-N 3.2Å; S160-L163 PolarHBondContact O-N 3.4Å; L163-E166 PolarHBondContact O-N 3.48Å; L163-I167 WeakPolarHBondContact O-CG1 3.43Å; L163-I167 PolarHBondContact O-N 3.42Å; L163-I175 HydrophobicContact CB-CG2 4.04Å; L163-I175 HydrophobicContact CD2-CG1 4.13Å; L163-I175 HydrophobicContact CD2-CG2 4.3Å; L163-I178 HydrophobicContact CD1-CG2 3.8Å; L163-L184 HydrophobicContact CD1-CD1 4.02Å; L163-T187 HydrophobicContact CB-CG2 3.7Å; L163-T187 HydrophobicContact CD1-CG2 4.08Å
164	I	97.5	Very high	96	Very high	66 Å²	66	52.6 Å²	52.6	34%	0.338	26%	0.259	S	S	.	.	H	α-helix	trans	-66.2	-39.1	178.3	-67.7	167.2	0	0	0	111.3	S160 D161 F162 E166 I167 T187 A190	S160-I164 VanDerWaalsContact O-CG1 3.29Å; S160-I164 WeakPolarHBondContact O-CG1 3.42Å; S160-I164 PolarHBondContact O-N 3.49Å; D161-I164 PolarHBondContact O-N 3.08Å; F162-I164 VanDerWaalsContact C-N 3.29Å; F162-I164 PolarHBondContact O-N 2.84Å; I164-E166 VanDerWaalsContact C-N 3.35Å; I164-I167 WeakPolarHBondContact O-CG1 3.47Å; I164-T187 HydrophobicContact CG1-CG2 4.11Å; I164-A190 HydrophobicContact CD1-CB 4.32Å; I164-A190 HydrophobicContact CG1-CB 3.98Å; I164-A190 HydrophobicContact CG2-CB 4.32Å
165	Q	96.7	Very high	96.1	Very high	156 Å²	156	48.6 Å²	48.6	73%	0.729	24%	0.235	S	C	*	.	H	α-helix	trans	-68.4	-33.7	179.7	-176	173.9	-2	0	0	112.9	D161 F162	D161-Q165 WeakPolarHBondContact O-CB 3.4Å; D161-Q165 PolarHBondContact O-N 3.37Å; F162-Q165 PolarHBondContact O-N 3.41Å
166	E	96	Very high	96.1	Very high	84 Å²	84	48.7 Å²	48.7	39%	0.393	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	6.8	-175.4	-64.4	-63	132.6	0	0	113.8	F162 L163 I164 S168 N171	F162-E166 HydrophobicContact CD1-CG 4.46Å; F162-E166 HydrophobicContact CD2-CG 4.03Å; F162-E166 HydrophobicContact CE1-CG 4.16Å; F162-E166 HydrophobicContact CE2-CG 3.67Å; F162-E166 HydrophobicContact CG-CG 4.43Å; F162-E166 HydrophobicContact CZ-CG 3.75Å; F162-E166 WeakPolarHBondContact O-CG 3.39Å; F162-E166 PolarHBondContact O-N 3.42Å; L163-E166 PolarHBondContact O-N 3.48Å; I164-E166 VanDerWaalsContact C-N 3.35Å; E166-S168 PolarHBondContact O-N 2.95Å; E166-N171 PolarHBondContact O-ND2 2.9Å; E166-N171 PolarHBondContact O-OD1 3.37Å
167	I	96.8	Very high	96.1	Very high	25 Å²	25	50.3 Å²	50.3	13%	0.128	24%	0.244	C	C	.	.			trans	-62.2	126.3	179.1	-56.2	178.9	0	0	0	110	L163 I164 C172 I175 A190 A191 F194	L163-I167 WeakPolarHBondContact O-CG1 3.43Å; L163-I167 PolarHBondContact O-N 3.42Å; I164-I167 WeakPolarHBondContact O-CG1 3.47Å; I167-C172 HydrophobicContact CG2-CB 4.07Å; I167-I175 HydrophobicContact CB-CD1 4.28Å; I167-I175 HydrophobicContact CG1-CD1 3.81Å; I167-I175 HydrophobicContact CG1-CG2 4.27Å; I167-A190 HydrophobicContact CD1-CB 4.29Å; I167-A191 HydrophobicContact CD1-CB 4.25Å; I167-F194 HydrophobicContact CB-CD2 4.4Å; I167-F194 HydrophobicContact CB-CG 4.44Å; I167-F194 HydrophobicContact CG2-CB 3.84Å; I167-F194 HydrophobicContact CG2-CD1 3.44Å; I167-F194 VanDerWaalsContact CG2-CD1 3.44Å; I167-F194 HydrophobicContact CG2-CD2 3.74Å; I167-F194 HydrophobicContact CG2-CE1 3.87Å; I167-F194 HydrophobicContact CG2-CE2 4.13Å; I167-F194 HydrophobicContact CG2-CG 3.37Å; I167-F194 HydrophobicContact CG2-CZ 4.2Å
168	S	96.7	Very high	96.1	Very high	38 Å²	38	45 Å²	45	27%	0.266	22%	0.221	S	C	.	.			trans	-137.8	167.1	173.9	79.8	0	0	0	0	110.5	E166 E170 N171 C172	E166-S168 PolarHBondContact O-N 2.95Å; S168-E170 PolarHBondContact O-N 3.27Å; S168-E170 PolarHBondContact OG-N 3Å; S168-N171 PolarHBondContact N-OD1 3.35Å; S168-N171 PolarHBondContact O-N 3.36Å; S168-N171 PolarHBondContact O-OD1 2.89Å; S168-N171 VanDerWaalsContact OG-CG 3.29Å; S168-N171 PolarHBondContact OG-N 3.49Å; S168-N171 PolarHBondContact OG-ND2 3.42Å; S168-N171 PolarHBondContact OG-OD1 3.02Å; S168-C172 VanDerWaalsContact O-CB 3.23Å; S168-C172 WeakPolarHBondContact O-CB 3.48Å; S168-C172 PolarHBondContact O-N 3.32Å
169	V	96.1	Very high	96.2	Very high	16 Å²	16	42.3 Å²	42.3	10%	0.097	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.8	177.3	179.8	0	0	0	0	111.9	F194 N198 E201 F202 T205	V169-F194 HydrophobicContact CG2-CE1 4.01Å; V169-F194 HydrophobicContact CG2-CZ 4.14Å; V169-N198 HydrophobicContact CG2-CB 4.23Å; V169-E201 HydrophobicContact CG1-CB 4.31Å; V169-E201 HydrophobicContact CG1-CG 4.09Å; V169-E201 HydrophobicContact CG2-CB 4.46Å; V169-E201 HydrophobicContact CG2-CG 4.29Å; V169-F202 HydrophobicContact CG1-CB 4.05Å; V169-T205 HydrophobicContact CG1-CG2 3.73Å
170	E	94.3	Very high	96.1	Very high	157 Å²	157	47.2 Å²	47.2	73%	0.734	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-24.2	-179.7	-61.5	180	174.3	0	0	113.6	S168	S168-E170 PolarHBondContact O-N 3.27Å; S168-E170 PolarHBondContact OG-N 3Å
171	N	95	Very high	96.1	Very high	25 Å²	25	51.7 Å²	51.7	13%	0.134	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-3.1	-171.4	72.7	21.7	0	0	0	114.5	L137 E166 S168 M173 Y174 I175	L137-N171 HydrophobicContact CD1-CB 4.42Å; E166-N171 PolarHBondContact O-ND2 2.9Å; E166-N171 PolarHBondContact O-OD1 3.37Å; S168-N171 PolarHBondContact N-OD1 3.35Å; S168-N171 PolarHBondContact O-N 3.36Å; S168-N171 PolarHBondContact O-OD1 2.89Å; S168-N171 VanDerWaalsContact OG-CG 3.29Å; S168-N171 PolarHBondContact OG-N 3.49Å; S168-N171 PolarHBondContact OG-ND2 3.42Å; S168-N171 PolarHBondContact OG-OD1 3.02Å; N171-M173 VanDerWaalsContact C-N 3.33Å; N171-M173 PolarHBondContact O-N 3.05Å; N171-Y174 WeakPolarHBondContact O-CA 3.29Å; N171-Y174 VanDerWaalsContact O-CB 3.31Å; N171-Y174 WeakPolarHBondContact O-CB 3.37Å; N171-Y174 PolarHBondContact O-N 3.36Å; N171-I175 PolarHBondContact O-N 3.47Å; N171-I175 VanDerWaalsContact OD1-CD1 3.24Å; N171-I175 WeakPolarHBondContact OD1-CD1 3.38Å
172	C	95.8	Very high	96	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.2	-42.7	-172.7	57.9	0	0	0	0	113.3	I167 S168 I175 A176 F194 I195	I167-C172 HydrophobicContact CG2-CB 4.07Å; S168-C172 VanDerWaalsContact O-CB 3.23Å; S168-C172 WeakPolarHBondContact O-CB 3.48Å; S168-C172 PolarHBondContact O-N 3.32Å; C172-I175 PolarHBondContact O-N 3.26Å; C172-A176 WeakPolarHBondContact O-CB 3.41Å; C172-A176 PolarHBondContact O-N 3.45Å; C172-F194 HydrophobicContact CB-CD1 3.9Å; C172-F194 HydrophobicContact CB-CE1 4.24Å; C172-I195 HydrophobicContact CB-CD1 4.31Å; C172-I195 HydrophobicContact CB-CG1 3.73Å
173	M	94.7	Very high	96	Very high	23 Å²	23	52.2 Å²	52.2	11%	0.113	27%	0.271	C	S	.	.	H	α-helix	trans	-68	-36.1	176	-75.1	-57	-50.3	0	0	113	N171 I175 A176 N177 I195 F202 L211 Q215 L219	N171-M173 VanDerWaalsContact C-N 3.33Å; N171-M173 PolarHBondContact O-N 3.05Å; M173-I175 VanDerWaalsContact C-N 3.33Å; M173-A176 PolarHBondContact O-N 2.89Å; M173-N177 WeakPolarHBondContact O-CB 3.43Å; M173-N177 PolarHBondContact O-N 2.97Å; M173-N177 PolarHBondContact O-ND2 3.24Å; M173-I195 HydrophobicContact CG-CD1 4.49Å; M173-I195 HydrophobicContact SD-CD1 3.57Å; M173-I195 VanDerWaalsContact SD-CD1 3.57Å; M173-F202 HydrophobicContact CB-CZ 4.39Å; M173-F202 HydrophobicContact CG-CE1 3.83Å; M173-F202 HydrophobicContact CG-CE2 3.82Å; M173-F202 HydrophobicContact CG-CZ 3.21Å; M173-F202 HydrophobicContact SD-CE1 4.23Å; M173-F202 HydrophobicContact SD-CZ 4.19Å; M173-L211 HydrophobicContact CE-CD2 3.68Å; M173-L211 HydrophobicContact CG-CD2 3.82Å; M173-L211 HydrophobicContact SD-CD2 3.98Å; M173-Q215 HydrophobicContact CE-CB 4.23Å; M173-Q215 HydrophobicContact CE-CG 3.99Å; M173-L219 HydrophobicContact SD-CD1 4.34Å
174	Y	94.9	Very high	95.9	Very high	104 Å²	104	52.7 Å²	52.7	41%	0.408	27%	0.273	S	S	.	.	H	α-helix	trans	-62.3	-45.2	174.9	170.8	-101	0	0	0	110.6	L137 N171 N177 I178	L137-Y174 HydrophobicContact CB-CE1 4.2Å; L137-Y174 HydrophobicContact CD2-CE1 4.32Å; L137-Y174 PolarHBondContact O-OH 2.95Å; N171-Y174 WeakPolarHBondContact O-CA 3.29Å; N171-Y174 VanDerWaalsContact O-CB 3.31Å; N171-Y174 WeakPolarHBondContact O-CB 3.37Å; N171-Y174 PolarHBondContact O-N 3.36Å; Y174-N177 PolarHBondContact O-N 2.94Å; Y174-I178 HydrophobicContact CD1-CD1 4.18Å; Y174-I178 HydrophobicContact CE1-CD1 3.4Å; Y174-I178 VanDerWaalsContact CE1-CD1 3.4Å; Y174-I178 HydrophobicContact CE1-CG1 4.33Å; Y174-I178 HydrophobicContact CE2-CD1 3.88Å; Y174-I178 HydrophobicContact CE2-CG1 4.29Å; Y174-I178 PolarHBondContact O-N 2.89Å; Y174-I178 VanDerWaalsContact OH-CD1 3.25Å; Y174-I178 WeakPolarHBondContact OH-CD1 3.31Å
175	I	96.8	Very high	95.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.8	-42.4	178.2	-63.8	174.6	0	0	0	111	L163 I167 N171 C172 M173 N177 I178 A179 T187 A191	L163-I175 HydrophobicContact CB-CG2 4.04Å; L163-I175 HydrophobicContact CD2-CG1 4.13Å; L163-I175 HydrophobicContact CD2-CG2 4.3Å; I167-I175 HydrophobicContact CB-CD1 4.28Å; I167-I175 HydrophobicContact CG1-CD1 3.81Å; I167-I175 HydrophobicContact CG1-CG2 4.27Å; N171-I175 PolarHBondContact O-N 3.47Å; N171-I175 VanDerWaalsContact OD1-CD1 3.24Å; N171-I175 WeakPolarHBondContact OD1-CD1 3.38Å; C172-I175 PolarHBondContact O-N 3.26Å; M173-I175 VanDerWaalsContact C-N 3.33Å; I175-N177 PolarHBondContact O-N 3.47Å; I175-I178 PolarHBondContact O-N 2.89Å; I175-A179 WeakPolarHBondContact O-CB 3.46Å; I175-A179 PolarHBondContact O-N 3.29Å; I175-T187 HydrophobicContact CG2-CG2 3.84Å; I175-A191 HydrophobicContact CG2-CB 4.29Å
176	A	96.1	Very high	95.8	Very high	3 Å²	3	54.2 Å²	54.2	3%	0.025	28%	0.283	C	S	.	.	H	α-helix	trans	-57.8	-47.1	174.5	0	0	0	0	0	111.7	C172 M173 I178 A179 E180 A191 I195	C172-A176 WeakPolarHBondContact O-CB 3.41Å; C172-A176 PolarHBondContact O-N 3.45Å; M173-A176 PolarHBondContact O-N 2.89Å; A176-I178 PolarHBondContact O-N 3.39Å; A176-A179 PolarHBondContact O-N 3.36Å; A176-E180 WeakPolarHBondContact O-CB 3.36Å; A176-E180 PolarHBondContact O-N 3.37Å; A176-A191 HydrophobicContact CB-CB 3.97Å; A176-I195 HydrophobicContact CB-CD1 4.24Å
177	N	95.3	Very high	95.9	Very high	57 Å²	57	50.2 Å²	50.2	31%	0.305	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-40	178.6	-67.1	-27.6	0	0	0	112.2	M173 Y174 I175 E180 T181 Q215	M173-N177 WeakPolarHBondContact O-CB 3.43Å; M173-N177 PolarHBondContact O-N 2.97Å; M173-N177 PolarHBondContact O-ND2 3.24Å; Y174-N177 PolarHBondContact O-N 2.94Å; I175-N177 PolarHBondContact O-N 3.47Å; N177-E180 PolarHBondContact O-N 3.13Å; N177-T181 VanDerWaalsContact O-CB 3.3Å; N177-T181 WeakPolarHBondContact O-CB 3.48Å; N177-T181 PolarHBondContact O-N 2.77Å; N177-T181 PolarHBondContact O-OG1 3.47Å; N177-Q215 PolarHBondContact ND2-NE2 3.21Å; N177-Q215 PolarHBondContact OD1-NE2 3.33Å
178	I	95.9	Very high	95.9	Very high	13 Å²	13	51.6 Å²	51.6	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-47.6	173.6	-79.5	-169.5	0	0	0	110.7	I140 I144 L163 Y174 I175 A176 E180 T181 Y182	I140-I178 HydrophobicContact CG2-CD1 3.99Å; I144-I178 HydrophobicContact CD1-CG2 4.04Å; L163-I178 HydrophobicContact CD1-CG2 3.8Å; Y174-I178 HydrophobicContact CD1-CD1 4.18Å; Y174-I178 HydrophobicContact CE1-CD1 3.4Å; Y174-I178 VanDerWaalsContact CE1-CD1 3.4Å; Y174-I178 HydrophobicContact CE1-CG1 4.33Å; Y174-I178 HydrophobicContact CE2-CD1 3.88Å; Y174-I178 HydrophobicContact CE2-CG1 4.29Å; Y174-I178 PolarHBondContact O-N 2.89Å; Y174-I178 VanDerWaalsContact OH-CD1 3.25Å; Y174-I178 WeakPolarHBondContact OH-CD1 3.31Å; I175-I178 PolarHBondContact O-N 2.89Å; A176-I178 PolarHBondContact O-N 3.39Å; I178-E180 VanDerWaalsContact C-N 3.28Å; I178-E180 PolarHBondContact O-N 3.31Å; I178-T181 PolarHBondContact O-N 3.01Å; I178-Y182 HydrophobicContact CG2-CD2 3.92Å; I178-Y182 HydrophobicContact CG2-CE2 4.26Å; I178-Y182 VanDerWaalsContact O-CD2 3.25Å; I178-Y182 WeakPolarHBondContact O-CD2 3.33Å; I178-Y182 PolarHBondContact O-N 3.08Å
179	A	96.9	Very high	95.8	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-40.9	-178.8	0	0	0	0	0	111.2	I175 A176 G183 L184 T187 K188	I175-A179 WeakPolarHBondContact O-CB 3.46Å; I175-A179 PolarHBondContact O-N 3.29Å; A176-A179 PolarHBondContact O-N 3.36Å; A179-G183 CarbonylContact O-C 3.58Å; A179-G183 WeakPolarHBondContact O-CA 3.38Å; A179-G183 PolarHBondContact O-N 3.02Å; A179-L184 HydrophobicContact CB-CB 4.09Å; A179-L184 PolarHBondContact O-N 2.9Å; A179-T187 HydrophobicContact CB-CG2 3.93Å; A179-K188 HydrophobicContact CB-CB 3.82Å
180	E	95.6	Very high	95.9	Very high	103 Å²	103	56.7 Å²	56.7	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-64.8	-49.6	173.5	178.5	155.5	-116.3	0	0	112.7	A176 N177 I178 Y182 G183 K188	A176-E180 WeakPolarHBondContact O-CB 3.36Å; A176-E180 PolarHBondContact O-N 3.37Å; N177-E180 PolarHBondContact O-N 3.13Å; I178-E180 VanDerWaalsContact C-N 3.28Å; I178-E180 PolarHBondContact O-N 3.31Å; E180-Y182 PolarHBondContact O-N 3.14Å; E180-Y182 VanDerWaalsContact O-N 3.16Å; E180-G183 PolarHBondContact O-N 2.98Å; E180-G183 VanDerWaalsContact O-N 3.14Å; E180-K188 HydrophobicContact CB-CD 4.33Å; E180-K188 IonicContact OE1-NZ 3.72Å; E180-K188 PolarHBondContact OE1-NZ 3.02Å
181	T	95.6	Very high	96	Very high	104 Å²	104	49.2 Å²	49.2	64%	0.638	26%	0.258	S	S	*	.	H	α-helix	trans	-54.9	-37.2	-179.1	-60.2	0	0	0	0	112.1	N177 I178	N177-T181 VanDerWaalsContact O-CB 3.3Å; N177-T181 WeakPolarHBondContact O-CB 3.48Å; N177-T181 PolarHBondContact O-N 2.77Å; N177-T181 PolarHBondContact O-OG1 3.47Å; I178-T181 PolarHBondContact O-N 3.01Å
182	Y	95.6	Very high	96	Very high	67 Å²	67	49.9 Å²	49.9	26%	0.263	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	6.5	-177.2	-62.6	-65.8	0	0	0	114.3	G141 I144 I148 I178 E180 L184	G141-Y182 PolarHBondContact O-OH 3.3Å; G141-Y182 VanDerWaalsContact O-OH 3.13Å; I144-Y182 HydrophobicContact CB-CD2 4.32Å; I144-Y182 HydrophobicContact CB-CG 4.42Å; I144-Y182 HydrophobicContact CG2-CD1 3.97Å; I144-Y182 HydrophobicContact CG2-CD2 3.81Å; I144-Y182 HydrophobicContact CG2-CE2 4.49Å; I144-Y182 HydrophobicContact CG2-CG 3.52Å; I148-Y182 HydrophobicContact CD1-CD1 4.26Å; I148-Y182 HydrophobicContact CD1-CG 4.39Å; I148-Y182 WeakPolarHBondContact CD1-O 3.36Å; I178-Y182 HydrophobicContact CG2-CD2 3.92Å; I178-Y182 HydrophobicContact CG2-CE2 4.26Å; I178-Y182 VanDerWaalsContact O-CD2 3.25Å; I178-Y182 WeakPolarHBondContact O-CD2 3.33Å; I178-Y182 PolarHBondContact O-N 3.08Å; E180-Y182 PolarHBondContact O-N 3.14Å; E180-Y182 VanDerWaalsContact O-N 3.16Å; Y182-L184 PolarHBondContact O-N 3.06Å
183	G	95.9	Very high	95.9	Very high	55 Å²	55	55.9 Å²	55.9	57%	0.567	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	28.2	177.7	0	0	0	0	0	115.3	A179 E180 K185	A179-G183 CarbonylContact O-C 3.58Å; A179-G183 WeakPolarHBondContact O-CA 3.38Å; A179-G183 PolarHBondContact O-N 3.02Å; E180-G183 PolarHBondContact O-N 2.98Å; E180-G183 VanDerWaalsContact O-N 3.14Å; G183-K185 PolarHBondContact O-N 3.38Å
184	L	96.6	Very high	96	Very high	10 Å²	10	57.3 Å²	57.3	5%	0.052	29%	0.292	C	S	.	.			trans	-80.4	81.8	179.2	-48.2	178.3	0	0	0	110.6	I144 I148 V156 L163 A179 Y182 T186 T187 K188	I144-L184 HydrophobicContact CD1-CD1 3.95Å; I144-L184 HydrophobicContact CG2-CD1 4.39Å; I144-L184 HydrophobicContact CG2-CD2 4.42Å; I148-L184 HydrophobicContact CD1-CD2 4.48Å; V156-L184 HydrophobicContact CG1-CD2 3.68Å; L163-L184 HydrophobicContact CD1-CD1 4.02Å; A179-L184 HydrophobicContact CB-CB 4.09Å; A179-L184 PolarHBondContact O-N 2.9Å; Y182-L184 PolarHBondContact O-N 3.06Å; L184-T186 PolarHBondContact O-N 3.26Å; L184-T187 PolarHBondContact O-N 3.48Å; L184-K188 WeakPolarHBondContact O-CB 3.49Å; L184-K188 PolarHBondContact O-N 2.86Å
185	K	95.8	Very high	96	Very high	167 Å²	167	52.4 Å²	52.4	73%	0.726	27%	0.273	S	S	*	.	H	α-helix	trans	-54	-50.7	-172.4	-64.9	-177.2	178.9	-178.6	0	113.9	G183 T187 K188 E189	G183-K185 PolarHBondContact O-N 3.38Å; K185-T187 PolarHBondContact O-N 2.94Å; K185-K188 PolarHBondContact O-N 2.86Å; K185-E189 WeakPolarHBondContact O-CG 3.26Å; K185-E189 PolarHBondContact O-N 3.39Å
186	T	96.3	Very high	95.8	Very high	88 Å²	88	55.4 Å²	55.4	54%	0.54	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-41.4	-178	50.9	0	0	0	0	112.4	L184 A190	L184-T186 PolarHBondContact O-N 3.26Å; T186-A190 WeakPolarHBondContact O-CB 3.31Å; T186-A190 PolarHBondContact O-N 3.02Å
187	T	97.6	Very high	95.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67	-39.5	175.5	-54	0	0	0	0	111.5	S160 L163 I164 I175 A179 L184 K185 A190 A191	S160-T187 WeakPolarHBondContact CB-OG1 3.37Å; L163-T187 HydrophobicContact CB-CG2 3.7Å; L163-T187 HydrophobicContact CD1-CG2 4.08Å; I164-T187 HydrophobicContact CG1-CG2 4.11Å; I175-T187 HydrophobicContact CG2-CG2 3.84Å; A179-T187 HydrophobicContact CB-CG2 3.93Å; L184-T187 PolarHBondContact O-N 3.48Å; K185-T187 PolarHBondContact O-N 2.94Å; T187-A190 PolarHBondContact O-N 2.86Å; T187-A191 WeakPolarHBondContact O-CB 3.29Å; T187-A191 PolarHBondContact O-N 2.75Å
188	K	96.3	Very high	95.4	Very high	53 Å²	53	59.3 Å²	59.3	23%	0.23	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-48	176.2	-174.4	177.2	178.5	176.1	0	110.7	A179 E180 L184 K185 A190 A191 H192	A179-K188 HydrophobicContact CB-CB 3.82Å; E180-K188 HydrophobicContact CB-CD 4.33Å; E180-K188 IonicContact OE1-NZ 3.72Å; E180-K188 PolarHBondContact OE1-NZ 3.02Å; L184-K188 WeakPolarHBondContact O-CB 3.49Å; L184-K188 PolarHBondContact O-N 2.86Å; K185-K188 PolarHBondContact O-N 2.86Å; K188-A190 VanDerWaalsContact C-N 3.35Å; K188-A190 PolarHBondContact O-N 2.72Å; K188-A191 PolarHBondContact O-N 3.15Å; K188-H192 WeakPolarHBondContact CE-CE1 3.48Å; K188-H192 WeakPolarHBondContact CE-NE2 3.46Å; K188-H192 WeakPolarHBondContact O-CB 3.39Å; K188-H192 PolarHBondContact O-CD2 3.39Å; K188-H192 VanDerWaalsContact O-CD2 3.23Å; K188-H192 PolarHBondContact O-N 3.36Å
189	E	95.8	Very high	95.4	Very high	131 Å²	131	58.8 Å²	58.8	61%	0.612	30%	0.301	S	S	*	.	H	α-helix	trans	-59.8	-43.7	176.9	-72.9	168.1	-169.3	0	0	112	K185 K193	K185-E189 WeakPolarHBondContact O-CG 3.26Å; K185-E189 PolarHBondContact O-N 3.39Å; E189-K193 VanDerWaalsContact O-CB 3.3Å; E189-K193 WeakPolarHBondContact O-CB 3.21Å; E189-K193 PolarHBondContact O-N 3.37Å
190	A	97.3	Very high	95.2	Very high	30 Å²	30	60.2 Å²	60.2	25%	0.248	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-44.3	176.2	0	0	0	0	0	112.3	I164 I167 T186 T187 K188 K193 F194	I164-A190 HydrophobicContact CD1-CB 4.32Å; I164-A190 HydrophobicContact CG1-CB 3.98Å; I164-A190 HydrophobicContact CG2-CB 4.32Å; I167-A190 HydrophobicContact CD1-CB 4.29Å; T186-A190 WeakPolarHBondContact O-CB 3.31Å; T186-A190 PolarHBondContact O-N 3.02Å; T187-A190 PolarHBondContact O-N 2.86Å; K188-A190 VanDerWaalsContact C-N 3.35Å; K188-A190 PolarHBondContact O-N 2.72Å; A190-K193 PolarHBondContact O-N 2.87Å; A190-F194 WeakPolarHBondContact O-CB 3.35Å; A190-F194 PolarHBondContact O-N 3.06Å
191	A	96.9	Very high	95.2	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.2	-45.2	177.5	0	0	0	0	0	112.1	I167 I175 A176 T187 K188 K193 F194 I195	I167-A191 HydrophobicContact CD1-CB 4.25Å; I175-A191 HydrophobicContact CG2-CB 4.29Å; A176-A191 HydrophobicContact CB-CB 3.97Å; T187-A191 WeakPolarHBondContact O-CB 3.29Å; T187-A191 PolarHBondContact O-N 2.75Å; K188-A191 PolarHBondContact O-N 3.15Å; A191-K193 VanDerWaalsContact C-N 3.34Å; A191-K193 PolarHBondContact O-N 3.23Å; A191-F194 PolarHBondContact O-N 2.83Å; A191-I195 WeakPolarHBondContact O-CD1 3.37Å; A191-I195 VanDerWaalsContact O-CG1 3.26Å; A191-I195 WeakPolarHBondContact O-CG1 3.35Å; A191-I195 PolarHBondContact O-N 3.06Å
192	H	94.7	Very high	95.2	Very high	40 Å²	40	56.1 Å²	56.1	19%	0.185	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-40.9	177.1	-77	-144.4	0	0	0	111.5	K188 I195 R196 E218	K188-H192 WeakPolarHBondContact CE-CE1 3.48Å; K188-H192 WeakPolarHBondContact CE-NE2 3.46Å; K188-H192 WeakPolarHBondContact O-CB 3.39Å; K188-H192 PolarHBondContact O-CD2 3.39Å; K188-H192 VanDerWaalsContact O-CD2 3.23Å; K188-H192 PolarHBondContact O-N 3.36Å; H192-I195 PolarHBondContact O-N 3.17Å; H192-R196 PolarHBondContact O-N 3.45Å; H192-E218 IonicContact CE1-OE1 2.71Å
193	K	94.5	Very high	95.2	Very high	125 Å²	125	53 Å²	53	54%	0.543	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-47.5	173.4	-179.1	175.5	178.1	173.8	0	111.4	E189 A190 A191 I195 R196 D197	E189-K193 VanDerWaalsContact O-CB 3.3Å; E189-K193 WeakPolarHBondContact O-CB 3.21Å; E189-K193 PolarHBondContact O-N 3.37Å; A190-K193 PolarHBondContact O-N 2.87Å; A191-K193 VanDerWaalsContact C-N 3.34Å; A191-K193 PolarHBondContact O-N 3.23Å; K193-I195 VanDerWaalsContact C-N 3.32Å; K193-I195 PolarHBondContact O-N 3.1Å; K193-R196 WeakPolarHBondContact O-CB 3.25Å; K193-R196 PolarHBondContact O-N 3.37Å; K193-D197 VanDerWaalsContact O-CG 3.29Å; K193-D197 PolarHBondContact O-N 3.23Å
194	F	95.8	Very high	95.2	Very high	53 Å²	53	56.2 Å²	56.2	23%	0.232	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-43.2	177.3	-175.9	-83.5	0	0	0	112	I167 V169 C172 A190 A191 D197 N198	I167-F194 HydrophobicContact CB-CD2 4.4Å; I167-F194 HydrophobicContact CB-CG 4.44Å; I167-F194 HydrophobicContact CG2-CB 3.84Å; I167-F194 HydrophobicContact CG2-CD1 3.44Å; I167-F194 VanDerWaalsContact CG2-CD1 3.44Å; I167-F194 HydrophobicContact CG2-CD2 3.74Å; I167-F194 HydrophobicContact CG2-CE1 3.87Å; I167-F194 HydrophobicContact CG2-CE2 4.13Å; I167-F194 HydrophobicContact CG2-CG 3.37Å; I167-F194 HydrophobicContact CG2-CZ 4.2Å; V169-F194 HydrophobicContact CG2-CE1 4.01Å; V169-F194 HydrophobicContact CG2-CZ 4.14Å; C172-F194 HydrophobicContact CB-CD1 3.9Å; C172-F194 HydrophobicContact CB-CE1 4.24Å; A190-F194 WeakPolarHBondContact O-CB 3.35Å; A190-F194 PolarHBondContact O-N 3.06Å; A191-F194 PolarHBondContact O-N 2.83Å; F194-D197 PolarHBondContact O-N 2.89Å; F194-N198 HydrophobicContact CE1-CB 4.29Å; F194-N198 WeakPolarHBondContact O-CB 3.49Å; F194-N198 PolarHBondContact O-N 3.47Å; F194-N198 PolarHBondContact O-ND2 3.49Å
195	I	95.1	Very high	95.2	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-45.9	176.6	-66.9	159.3	0	0	0	110.4	C172 M173 A176 A191 H192 K193 D197 N198 F199 F202 L219	C172-I195 HydrophobicContact CB-CD1 4.31Å; C172-I195 HydrophobicContact CB-CG1 3.73Å; M173-I195 HydrophobicContact CG-CD1 4.49Å; M173-I195 HydrophobicContact SD-CD1 3.57Å; M173-I195 VanDerWaalsContact SD-CD1 3.57Å; A176-I195 HydrophobicContact CB-CD1 4.24Å; A191-I195 WeakPolarHBondContact O-CD1 3.37Å; A191-I195 VanDerWaalsContact O-CG1 3.26Å; A191-I195 WeakPolarHBondContact O-CG1 3.35Å; A191-I195 PolarHBondContact O-N 3.06Å; H192-I195 PolarHBondContact O-N 3.17Å; K193-I195 VanDerWaalsContact C-N 3.32Å; K193-I195 PolarHBondContact O-N 3.1Å; I195-D197 VanDerWaalsContact C-N 3.34Å; I195-D197 PolarHBondContact O-N 3.16Å; I195-N198 CarbonylContact O-C 3.58Å; I195-N198 PolarHBondContact O-N 3.08Å; I195-F199 HydrophobicContact CG2-CD2 4.19Å; I195-F199 WeakPolarHBondContact O-CA 3.39Å; I195-F199 VanDerWaalsContact O-CB 3.29Å; I195-F199 WeakPolarHBondContact O-CB 3.06Å; I195-F199 PolarHBondContact O-N 2.72Å; I195-F202 HydrophobicContact CG2-CD1 4.21Å; I195-L219 HydrophobicContact CG2-CD1 4.34Å; I195-L219 HydrophobicContact CG2-CD2 3.63Å
196	R	92.4	Very high	95	Very high	63 Å²	63	54.9 Å²	54.9	24%	0.238	27%	0.273	C	S	.	.	H	α-helix	trans	-58	-45.9	176.9	-84.1	-167.2	-72	-97.8	1.5	112.5	H192 K193 N198 D222 L225	H192-R196 PolarHBondContact O-N 3.45Å; K193-R196 WeakPolarHBondContact O-CB 3.25Å; K193-R196 PolarHBondContact O-N 3.37Å; R196-N198 VanDerWaalsContact C-N 3.31Å; R196-N198 PolarHBondContact O-N 2.88Å; R196-D222 WeakPolarHBondContact CD-OD2 3.3Å; R196-D222 IonicContact CZ-OD2 2.87Å; R196-D222 IonicContact NE-OD2 2.7Å; R196-D222 IonicContact NH1-OD2 2.67Å; R196-D222 PolarHBondContact NH1-OD2 3.42Å; R196-L225 HydrophobicContact CG-CD1 4.37Å
197	D	90.5	Very high	94.8	Very high	93 Å²	93	55 Å²	55	50%	0.497	27%	0.267	S	S	.	.	H	α-helix	trans	-72	-27.5	-175.2	-66.1	-17.8	0	0	0	111.8	K193 F194 I195	K193-D197 VanDerWaalsContact O-CG 3.29Å; K193-D197 PolarHBondContact O-N 3.23Å; F194-D197 PolarHBondContact O-N 2.89Å; I195-D197 VanDerWaalsContact C-N 3.34Å; I195-D197 PolarHBondContact O-N 3.16Å
198	N	93.4	Very high	94.7	Very high	49 Å²	49	55 Å²	55	26%	0.262	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	20.7	-176.9	-57.6	-81.2	0	0	0	113.4	V169 F194 I195 R196 I200 E201 F202	V169-N198 HydrophobicContact CG2-CB 4.23Å; F194-N198 HydrophobicContact CE1-CB 4.29Å; F194-N198 WeakPolarHBondContact O-CB 3.49Å; F194-N198 PolarHBondContact O-N 3.47Å; F194-N198 PolarHBondContact O-ND2 3.49Å; I195-N198 CarbonylContact O-C 3.58Å; I195-N198 PolarHBondContact O-N 3.08Å; R196-N198 VanDerWaalsContact C-N 3.31Å; R196-N198 PolarHBondContact O-N 2.88Å; N198-I200 VanDerWaalsContact C-N 3.28Å; N198-I200 PolarHBondContact O-N 3.25Å; N198-E201 PolarHBondContact O-N 3.46Å; N198-E201 VanDerWaalsContact O-N 3.15Å; N198-F202 PolarHBondContact O-N 3.24Å
199	F	94.8	Very high	94.7	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-37.1	-169	-175.3	-103	0	0	0	113.4	I195 F202 S203 F208 L219 L220 L225 L227 I236	I195-F199 HydrophobicContact CG2-CD2 4.19Å; I195-F199 WeakPolarHBondContact O-CA 3.39Å; I195-F199 VanDerWaalsContact O-CB 3.29Å; I195-F199 WeakPolarHBondContact O-CB 3.06Å; I195-F199 PolarHBondContact O-N 2.72Å; F199-F202 HydrophobicContact CD2-CD1 4.42Å; F199-F202 PolarHBondContact O-N 2.89Å; F199-S203 WeakPolarHBondContact O-CB 3.33Å; F199-S203 PolarHBondContact O-N 2.97Å; F199-F208 HydrophobicContact CE2-CE2 4.28Å; F199-F208 HydrophobicContact CZ-CE2 4.12Å; F199-L219 HydrophobicContact CE2-CB 3.82Å; F199-L219 HydrophobicContact CE2-CD1 3.94Å; F199-L219 HydrophobicContact CE2-CG 4.36Å; F199-L219 HydrophobicContact CZ-CB 4.45Å; F199-L220 HydrophobicContact CE1-CD2 4.2Å; F199-L220 HydrophobicContact CZ-CD2 4Å; F199-L225 HydrophobicContact CB-CD1 3.66Å; F199-L225 HydrophobicContact CD1-CD1 4Å; F199-L225 HydrophobicContact CD1-CD2 4.11Å; F199-L225 HydrophobicContact CD1-CG 4.44Å; F199-L225 HydrophobicContact CD2-CD1 3.86Å; F199-L225 HydrophobicContact CE1-CD2 4.01Å; F199-L225 HydrophobicContact CE2-CD1 4.48Å; F199-L225 HydrophobicContact CG-CD1 3.58Å; F199-L225 HydrophobicContact CG-CD2 4.45Å; F199-L225 HydrophobicContact CG-CG 4.48Å; F199-L225 HydrophobicContact CZ-CD2 4.29Å; F199-L227 HydrophobicContact CD1-CD2 3.73Å; F199-L227 HydrophobicContact CE1-CD2 4.2Å; F199-I236 HydrophobicContact CD1-CD1 4.23Å; F199-I236 HydrophobicContact CE1-CD1 3.88Å; F199-I236 HydrophobicContact CE1-CG2 4.07Å; F199-I236 HydrophobicContact CZ-CG2 4.24Å
200	I	93.8	Very high	94.6	Very high	31 Å²	31	53.5 Å²	53.5	16%	0.159	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-50.1	177.8	-62.3	-60.2	0	0	0	110.8	N198 F202 S203 L227 V232 I236	N198-I200 VanDerWaalsContact C-N 3.28Å; N198-I200 PolarHBondContact O-N 3.25Å; I200-F202 VanDerWaalsContact C-N 3.34Å; I200-S203 PolarHBondContact O-N 2.88Å; I200-S203 PolarHBondContact O-OG 3.18Å; I200-L227 HydrophobicContact CD1-CD2 3.44Å; I200-L227 VanDerWaalsContact CD1-CD2 3.44Å; I200-L227 HydrophobicContact CG1-CD2 4.33Å; I200-V232 HydrophobicContact CD1-CG1 3.57Å; I200-I236 HydrophobicContact CD1-CD1 3.96Å
201	E	94.8	Very high	94.6	Very high	118 Å²	118	52.4 Å²	52.4	55%	0.551	25%	0.249	S	C	*	.	H	α-helix	trans	-64.1	-42.5	178.3	-164	-176.4	157.5	0	0	111.1	V169 N198 S203 E204	V169-E201 HydrophobicContact CG1-CB 4.31Å; V169-E201 HydrophobicContact CG1-CG 4.09Å; V169-E201 HydrophobicContact CG2-CB 4.46Å; V169-E201 HydrophobicContact CG2-CG 4.29Å; N198-E201 PolarHBondContact O-N 3.46Å; N198-E201 VanDerWaalsContact O-N 3.15Å; E201-S203 VanDerWaalsContact C-N 3.28Å; E201-S203 PolarHBondContact O-N 3.5Å; E201-E204 PolarHBondContact O-N 3.09Å; E201-E204 VanDerWaalsContact O-N 3.09Å
202	F	95.9	Very high	94.6	Very high	3 Å²	3	55.8 Å²	55.8	1%	0.013	27%	0.27	C	S	.	.	H	α-helix	trans	-58	-40.7	175.6	175.7	-122.6	0	0	0	112.3	V169 M173 I195 N198 F199 I200 E204 T205 Q207 F208 L211 L219	V169-F202 HydrophobicContact CG1-CB 4.05Å; M173-F202 HydrophobicContact CB-CZ 4.39Å; M173-F202 HydrophobicContact CG-CE1 3.83Å; M173-F202 HydrophobicContact CG-CE2 3.82Å; M173-F202 HydrophobicContact CG-CZ 3.21Å; M173-F202 HydrophobicContact SD-CE1 4.23Å; M173-F202 HydrophobicContact SD-CZ 4.19Å; I195-F202 HydrophobicContact CG2-CD1 4.21Å; N198-F202 PolarHBondContact O-N 3.24Å; F199-F202 HydrophobicContact CD2-CD1 4.42Å; F199-F202 PolarHBondContact O-N 2.89Å; I200-F202 VanDerWaalsContact C-N 3.34Å; F202-E204 PolarHBondContact O-N 3.13Å; F202-E204 VanDerWaalsContact O-N 3.12Å; F202-T205 WeakPolarHBondContact O-CB 3.41Å; F202-T205 PolarHBondContact O-N 3.16Å; F202-T205 PolarHBondContact O-OG1 2.94Å; F202-Q207 HydrophobicContact CE2-CB 4.28Å; F202-F208 AromaticContact CD1-CD2 3.97Å; F202-F208 HydrophobicContact CD1-CD2 3.97Å; F202-F208 HydrophobicContact CE1-CB 4.41Å; F202-F208 AromaticContact CE1-CD2 3.67Å; F202-F208 HydrophobicContact CE1-CD2 3.67Å; F202-F208 HydrophobicContact CE2-CB 4.31Å; F202-F208 HydrophobicContact CZ-CB 4.11Å; F202-F208 HydrophobicContact CZ-CD2 4.17Å; F202-F208 VanDerWaalsContact O-CB 3.31Å; F202-F208 WeakPolarHBondContact O-CB 3.48Å; F202-L211 HydrophobicContact CE1-CD1 3.99Å; F202-L211 HydrophobicContact CZ-CD1 4.2Å; F202-L211 HydrophobicContact CZ-CD2 4.23Å; F202-L211 HydrophobicContact CZ-CG 4.38Å; F202-L219 HydrophobicContact CE1-CD1 4.28Å
203	S	96.1	Very high	94.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-15	179.1	77.5	0	0	0	0	114.7	F199 I200 E201 K239	F199-S203 WeakPolarHBondContact O-CB 3.33Å; F199-S203 PolarHBondContact O-N 2.97Å; I200-S203 PolarHBondContact O-N 2.88Å; I200-S203 PolarHBondContact O-OG 3.18Å; E201-S203 VanDerWaalsContact C-N 3.28Å; E201-S203 PolarHBondContact O-N 3.5Å; S203-K239 PolarHBondContact O-NZ 2.75Å
204	E	95.4	Very high	94.8	Very high	124 Å²	124	55.1 Å²	55.1	58%	0.579	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-7.8	174.3	-58.8	-53.2	155.5	0	0	114	E201 F202 K239	E201-E204 PolarHBondContact O-N 3.09Å; E201-E204 VanDerWaalsContact O-N 3.09Å; F202-E204 PolarHBondContact O-N 3.13Å; F202-E204 VanDerWaalsContact O-N 3.12Å; E204-K239 IonicContact OE2-NZ 3.97Å; E204-K239 PolarHBondContact OE2-NZ 3.27Å
205	T	95.5	Very high	94.8	Very high	28 Å²	28	54.3 Å²	54.3	17%	0.172	27%	0.269	C	S	.	.	S	Bend	trans	-83.5	155.7	-179.4	69.7	0	0	0	0	113.7	V169 F202 Q207 F208	V169-T205 HydrophobicContact CG1-CG2 3.73Å; F202-T205 WeakPolarHBondContact O-CB 3.41Å; F202-T205 PolarHBondContact O-N 3.16Å; F202-T205 PolarHBondContact O-OG1 2.94Å; T205-Q207 PolarHBondContact O-N 3.34Å; T205-F208 WeakPolarHBondContact O-CB 3.16Å; T205-F208 PolarHBondContact O-N 3.29Å; T205-F208 PolarHBondContact OG1-N 2.91Å
206	D	92.6	Very high	94.9	Very high	121 Å²	121	54.2 Å²	54.2	65%	0.647	27%	0.269	S	S	*	.	H	α-helix	trans	-63.3	-25.4	170.5	-71.6	-21.3	0	0	0	113	F208 L209 K210	D206-F208 VanDerWaalsContact C-N 3.33Å; D206-L209 PolarHBondContact O-N 3.44Å; D206-K210 WeakPolarHBondContact O-CG 3.36Å
207	Q	91.6	Very high	95.2	Very high	89 Å²	89	53.4 Å²	53.4	42%	0.416	27%	0.269	S	S	.	.	H	α-helix	trans	-69.4	-34.3	178.2	-64.1	-62.1	-17.3	0	0	111.4	F202 T205 L209 K210	F202-Q207 HydrophobicContact CE2-CB 4.28Å; T205-Q207 PolarHBondContact O-N 3.34Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.46Å; Q207-K210 WeakPolarHBondContact O-CB 3.07Å; Q207-K210 PolarHBondContact O-N 2.98Å; Q207-K210 VanDerWaalsContact O-N 3.08Å
208	F	96.2	Very high	95.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-41.4	174.6	178.2	-95.3	0	0	0	112.2	F199 F202 T205 D206 K210 L211 I216 I236 W240	F199-F208 HydrophobicContact CE2-CE2 4.28Å; F199-F208 HydrophobicContact CZ-CE2 4.12Å; F202-F208 AromaticContact CD1-CD2 3.97Å; F202-F208 HydrophobicContact CD1-CD2 3.97Å; F202-F208 HydrophobicContact CE1-CB 4.41Å; F202-F208 AromaticContact CE1-CD2 3.67Å; F202-F208 HydrophobicContact CE1-CD2 3.67Å; F202-F208 HydrophobicContact CE2-CB 4.31Å; F202-F208 HydrophobicContact CZ-CB 4.11Å; F202-F208 HydrophobicContact CZ-CD2 4.17Å; F202-F208 VanDerWaalsContact O-CB 3.31Å; F202-F208 WeakPolarHBondContact O-CB 3.48Å; T205-F208 WeakPolarHBondContact O-CB 3.16Å; T205-F208 PolarHBondContact O-N 3.29Å; T205-F208 PolarHBondContact OG1-N 2.91Å; D206-F208 VanDerWaalsContact C-N 3.33Å; F208-K210 PolarHBondContact O-N 3.44Å; F208-K210 VanDerWaalsContact O-N 3.16Å; F208-L211 HydrophobicContact CD2-CD1 3.56Å; F208-L211 HydrophobicContact CE2-CD1 3.75Å; F208-L211 HydrophobicContact CG-CD1 4.26Å; F208-L211 VanDerWaalsContact O-CB 3.31Å; F208-L211 WeakPolarHBondContact O-CB 3.25Å; F208-L211 WeakPolarHBondContact O-CG 3.19Å; F208-L211 PolarHBondContact O-N 3.19Å; F208-L211 VanDerWaalsContact O-N 3.1Å; F208-I216 HydrophobicContact CE1-CD1 4.29Å; F208-I216 HydrophobicContact CE2-CD1 4.23Å; F208-I216 HydrophobicContact CZ-CD1 3.58Å; F208-I216 HydrophobicContact CZ-CG1 4.29Å; F208-I236 HydrophobicContact CE1-CG2 3.9Å; F208-I236 HydrophobicContact CE2-CG2 4.04Å; F208-I236 HydrophobicContact CZ-CG2 3.3Å; F208-W240 HydrophobicContact CE1-CB 3.98Å; F208-W240 HydrophobicContact CZ-CB 4.42Å
209	L	95.5	Very high	95.6	Very high	24 Å²	24	52.1 Å²	52.1	13%	0.126	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-18.2	178.2	-62.7	173.8	0	0	0	112.6	D206 Q207 K239 F243 R247	D206-L209 PolarHBondContact O-N 3.44Å; Q207-L209 VanDerWaalsContact C-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.46Å; L209-K239 HydrophobicContact CD2-CG 4.29Å; L209-F243 HydrophobicContact CB-CD1 4.19Å; L209-F243 HydrophobicContact CB-CD2 4.07Å; L209-F243 HydrophobicContact CB-CE1 4.16Å; L209-F243 HydrophobicContact CB-CE2 4.04Å; L209-F243 HydrophobicContact CB-CG 4.13Å; L209-F243 HydrophobicContact CB-CZ 4.08Å; L209-F243 HydrophobicContact CD1-CD2 3.67Å; L209-F243 HydrophobicContact CD1-CE2 3.67Å; L209-F243 HydrophobicContact CD1-CG 4.45Å; L209-F243 HydrophobicContact CD1-CZ 4.46Å; L209-F243 HydrophobicContact CD2-CB 4.12Å; L209-F243 HydrophobicContact CD2-CD2 4.04Å; L209-F243 HydrophobicContact CD2-CG 4.09Å; L209-F243 HydrophobicContact CG-CD2 4.13Å; L209-F243 HydrophobicContact CG-CE2 4.35Å; L209-F243 HydrophobicContact CG-CG 4.45Å; L209-R247 PolarHBondContact O-NH1 2.89Å; L209-R247 PolarHBondContact O-NH2 3.21Å
210	K	94.5	Very high	95.7	Very high	130 Å²	130	52.1 Å²	52.1	57%	0.565	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.6	176.7	-63.1	172.2	-168.3	169.3	0	113.7	D206 Q207 F208	D206-K210 WeakPolarHBondContact O-CG 3.36Å; Q207-K210 WeakPolarHBondContact O-CB 3.07Å; Q207-K210 PolarHBondContact O-N 2.98Å; Q207-K210 VanDerWaalsContact O-N 3.08Å; F208-K210 PolarHBondContact O-N 3.44Å; F208-K210 VanDerWaalsContact O-N 3.16Å
211	L	96.6	Very high	95.8	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	27%	0.265	C	S	.	.			trans	-56.7	140.7	176.8	-69.7	178.7	0	0	0	111.3	M173 F202 F208 Q215 I216 L219 W240	M173-L211 HydrophobicContact CE-CD2 3.68Å; M173-L211 HydrophobicContact CG-CD2 3.82Å; M173-L211 HydrophobicContact SD-CD2 3.98Å; F202-L211 HydrophobicContact CE1-CD1 3.99Å; F202-L211 HydrophobicContact CZ-CD1 4.2Å; F202-L211 HydrophobicContact CZ-CD2 4.23Å; F202-L211 HydrophobicContact CZ-CG 4.38Å; F208-L211 HydrophobicContact CD2-CD1 3.56Å; F208-L211 HydrophobicContact CE2-CD1 3.75Å; F208-L211 HydrophobicContact CG-CD1 4.26Å; F208-L211 VanDerWaalsContact O-CB 3.31Å; F208-L211 WeakPolarHBondContact O-CB 3.25Å; F208-L211 WeakPolarHBondContact O-CG 3.19Å; F208-L211 PolarHBondContact O-N 3.19Å; F208-L211 VanDerWaalsContact O-N 3.1Å; L211-Q215 HydrophobicContact CB-CB 4.43Å; L211-Q215 HydrophobicContact CD2-CB 3.99Å; L211-I216 HydrophobicContact CB-CB 4.43Å; L211-I216 HydrophobicContact CD1-CB 4.19Å; L211-L219 HydrophobicContact CD1-CD1 4.02Å; L211-W240 WeakPolarHBondContact O-CZ2 3.09Å; L211-W240 PolarHBondContact O-NE1 3.29Å
212	T	96.3	Very high	95.8	Very high	71 Å²	71	48.3 Å²	48.3	44%	0.436	25%	0.248	S	C	.	.			trans	-70.1	162.7	166.3	62.6	0	0	0	0	110.4	D214 Q215 I216	T212-D214 VanDerWaalsContact C-N 3.3Å; T212-D214 PolarHBondContact O-N 2.81Å; T212-Q215 PolarHBondContact O-N 3.43Å; T212-Q215 VanDerWaalsContact OG1-CD 3.29Å; T212-Q215 VanDerWaalsContact OG1-CG 3.29Å; T212-Q215 WeakPolarHBondContact OG1-CG 3.49Å; T212-Q215 PolarHBondContact OG1-N 3.01Å; T212-Q215 PolarHBondContact OG1-OE1 3.38Å; T212-I216 WeakPolarHBondContact O-CG2 3.45Å; T212-I216 PolarHBondContact O-N 3.48Å
213	F	97.6	Very high	95.6	Very high	35 Å²	35	51.6 Å²	51.6	15%	0.154	27%	0.265	C	S	.	.	H	α-helix	trans	-55.7	-46.2	174.1	169.9	-107	0	0	0	111.5	Q215 I216 N217 W240 F250 D253 L254	F213-Q215 VanDerWaalsContact C-N 3.33Å; F213-Q215 PolarHBondContact O-N 2.8Å; F213-I216 WeakPolarHBondContact O-CG2 3.31Å; F213-I216 PolarHBondContact O-N 3.44Å; F213-N217 HydrophobicContact CD2-CB 4.48Å; F213-N217 HydrophobicContact CE1-CB 4.43Å; F213-N217 HydrophobicContact CE2-CB 4.15Å; F213-N217 HydrophobicContact CZ-CB 4.13Å; F213-N217 WeakPolarHBondContact O-CB 3.26Å; F213-N217 PolarHBondContact O-N 3.35Å; F213-W240 HydrophobicContact CB-CH2 3.98Å; F213-W240 HydrophobicContact CD2-CH2 4.3Å; F213-F250 HydrophobicContact CB-CD1 4.5Å; F213-F250 HydrophobicContact CB-CD2 4.13Å; F213-F250 HydrophobicContact CB-CE1 4.45Å; F213-F250 HydrophobicContact CB-CE2 4.08Å; F213-F250 HydrophobicContact CB-CG 4.33Å; F213-F250 HydrophobicContact CB-CZ 4.22Å; F213-F250 HydrophobicContact CD1-CD1 4.06Å; F213-F250 HydrophobicContact CD1-CE1 4.13Å; F213-F250 HydrophobicContact CD2-CB 3.53Å; F213-F250 AromaticContact CD2-CD1 3.92Å; F213-F250 HydrophobicContact CD2-CD1 3.92Å; F213-F250 HydrophobicContact CD2-CD2 4.16Å; F213-F250 AromaticContact CD2-CG 3.64Å; F213-F250 HydrophobicContact CD2-CG 3.64Å; F213-F250 HydrophobicContact CE1-CD1 4.25Å; F213-F250 HydrophobicContact CE2-CB 3.64Å; F213-F250 HydrophobicContact CE2-CD1 4.13Å; F213-F250 HydrophobicContact CE2-CG 4.07Å; F213-F250 HydrophobicContact CG-CB 4.3Å; F213-F250 AromaticContact CG-CD1 3.87Å; F213-F250 HydrophobicContact CG-CD1 3.87Å; F213-F250 HydrophobicContact CG-CD2 4.21Å; F213-F250 HydrophobicContact CG-CE1 4.13Å; F213-F250 HydrophobicContact CG-CE2 4.45Å; F213-F250 AromaticContact CG-CG 3.9Å; F213-F250 HydrophobicContact CG-CG 3.9Å; F213-F250 HydrophobicContact CG-CZ 4.39Å; F213-F250 HydrophobicContact CZ-CB 4.48Å; F213-F250 HydrophobicContact CZ-CD1 4.28Å; F213-D253 HydrophobicContact CE2-CB 4.23Å; F213-D253 HydrophobicContact CZ-CB 3.83Å; F213-L254 HydrophobicContact CE2-CB 4.22Å
214	D	96.9	Very high	95.4	Very high	116 Å²	116	56.7 Å²	56.7	62%	0.62	29%	0.293	S	S	*	.	H	α-helix	trans	-60.8	-42.7	-177.2	-59.8	-39.9	0	0	0	111.7	T212 N217 E218	T212-D214 VanDerWaalsContact C-N 3.3Å; T212-D214 PolarHBondContact O-N 2.81Å; D214-N217 PolarHBondContact O-N 3.04Å; D214-E218 WeakPolarHBondContact O-CB 3.47Å; D214-E218 PolarHBondContact O-N 3.5Å
215	Q	96	Very high	95.2	Very high	37 Å²	37	50.9 Å²	50.9	17%	0.173	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-50.1	178.7	-72.5	164.5	-38.2	0	0	112.4	M173 N177 L211 T212 F213 N217 E218 L219	M173-Q215 HydrophobicContact CE-CB 4.23Å; M173-Q215 HydrophobicContact CE-CG 3.99Å; N177-Q215 PolarHBondContact ND2-NE2 3.21Å; N177-Q215 PolarHBondContact OD1-NE2 3.33Å; L211-Q215 HydrophobicContact CB-CB 4.43Å; L211-Q215 HydrophobicContact CD2-CB 3.99Å; T212-Q215 PolarHBondContact O-N 3.43Å; T212-Q215 VanDerWaalsContact OG1-CD 3.29Å; T212-Q215 VanDerWaalsContact OG1-CG 3.29Å; T212-Q215 WeakPolarHBondContact OG1-CG 3.49Å; T212-Q215 PolarHBondContact OG1-N 3.01Å; T212-Q215 PolarHBondContact OG1-OE1 3.38Å; F213-Q215 VanDerWaalsContact C-N 3.33Å; F213-Q215 PolarHBondContact O-N 2.8Å; Q215-N217 VanDerWaalsContact C-N 3.31Å; Q215-N217 PolarHBondContact O-N 3.42Å; Q215-E218 PolarHBondContact O-N 2.95Å; Q215-L219 VanDerWaalsContact O-CG 3.25Å; Q215-L219 WeakPolarHBondContact O-CG 3.45Å; Q215-L219 PolarHBondContact O-N 3.29Å
216	I	97.3	Very high	94.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-34.9	179.7	-170	172.5	0	0	0	111.7	F208 L211 T212 F213 L219 L220 W240 L254	F208-I216 HydrophobicContact CE1-CD1 4.29Å; F208-I216 HydrophobicContact CE2-CD1 4.23Å; F208-I216 HydrophobicContact CZ-CD1 3.58Å; F208-I216 HydrophobicContact CZ-CG1 4.29Å; L211-I216 HydrophobicContact CB-CB 4.43Å; L211-I216 HydrophobicContact CD1-CB 4.19Å; T212-I216 WeakPolarHBondContact O-CG2 3.45Å; T212-I216 PolarHBondContact O-N 3.48Å; F213-I216 WeakPolarHBondContact O-CG2 3.31Å; F213-I216 PolarHBondContact O-N 3.44Å; I216-L219 PolarHBondContact O-N 2.86Å; I216-L220 HydrophobicContact CG1-CD1 4.22Å; I216-L220 HydrophobicContact CG1-CG 4.38Å; I216-L220 PolarHBondContact O-N 3.36Å; I216-W240 HydrophobicContact CD1-CB 3.43Å; I216-W240 VanDerWaalsContact CD1-CB 3.43Å; I216-W240 HydrophobicContact CD1-CD2 3.73Å; I216-W240 HydrophobicContact CD1-CE3 4.28Å; I216-W240 HydrophobicContact CD1-CG 3.33Å; I216-W240 HydrophobicContact CG2-CD2 3.96Å; I216-W240 HydrophobicContact CG2-CE3 4.16Å; I216-W240 HydrophobicContact CG2-CH2 4.07Å; I216-W240 HydrophobicContact CG2-CZ2 3.85Å; I216-W240 HydrophobicContact CG2-CZ3 4.21Å; I216-L254 HydrophobicContact CD1-CD2 4.29Å; I216-L254 HydrophobicContact CG1-CD1 4.22Å; I216-L254 HydrophobicContact CG2-CD1 3.81Å; I216-L254 HydrophobicContact CG2-CD2 4.42Å
217	N	97.8	Very high	94.6	Very high	46 Å²	46	46.7 Å²	46.7	25%	0.246	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-44.6	175.8	-177.4	73.2	0	0	0	110.9	F213 D214 Q215 A221 L254 N257	F213-N217 HydrophobicContact CD2-CB 4.48Å; F213-N217 HydrophobicContact CE1-CB 4.43Å; F213-N217 HydrophobicContact CE2-CB 4.15Å; F213-N217 HydrophobicContact CZ-CB 4.13Å; F213-N217 WeakPolarHBondContact O-CB 3.26Å; F213-N217 PolarHBondContact O-N 3.35Å; D214-N217 PolarHBondContact O-N 3.04Å; Q215-N217 VanDerWaalsContact C-N 3.31Å; Q215-N217 PolarHBondContact O-N 3.42Å; N217-A221 WeakPolarHBondContact O-CB 3.38Å; N217-A221 PolarHBondContact O-N 3.08Å; N217-L254 HydrophobicContact CB-CD1 4.37Å; N217-N257 PolarHBondContact OD1-ND2 3.05Å
218	E	96	Very high	94.5	Very high	97 Å²	97	44.4 Å²	44.4	45%	0.453	23%	0.233	S	C	.	.	H	α-helix	trans	-59.4	-46.1	174.1	-175	-179.3	171.3	0	0	111.5	H192 D214 Q215 A221 D222	H192-E218 IonicContact CE1-OE1 2.71Å; D214-E218 WeakPolarHBondContact O-CB 3.47Å; D214-E218 PolarHBondContact O-N 3.5Å; Q215-E218 PolarHBondContact O-N 2.95Å; E218-A221 PolarHBondContact O-N 3.25Å; E218-D222 PolarHBondContact O-N 3.42Å; E218-D222 VanDerWaalsContact O-N 3.15Å
219	L	95.9	Very high	94.2	Very high	18 Å²	18	46.6 Å²	46.6	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-47.2	-179.6	-66.8	171.9	0	0	0	112.1	M173 I195 F199 F202 L211 Q215 I216 A221 D222	M173-L219 HydrophobicContact SD-CD1 4.34Å; I195-L219 HydrophobicContact CG2-CD1 4.34Å; I195-L219 HydrophobicContact CG2-CD2 3.63Å; F199-L219 HydrophobicContact CE2-CB 3.82Å; F199-L219 HydrophobicContact CE2-CD1 3.94Å; F199-L219 HydrophobicContact CE2-CG 4.36Å; F199-L219 HydrophobicContact CZ-CB 4.45Å; F202-L219 HydrophobicContact CE1-CD1 4.28Å; L211-L219 HydrophobicContact CD1-CD1 4.02Å; Q215-L219 VanDerWaalsContact O-CG 3.25Å; Q215-L219 WeakPolarHBondContact O-CG 3.45Å; Q215-L219 PolarHBondContact O-N 3.29Å; I216-L219 PolarHBondContact O-N 2.86Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 2.86Å; L219-D222 WeakPolarHBondContact O-CB 2.99Å; L219-D222 PolarHBondContact O-N 3.39Å
220	L	96.8	Very high	94.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-73.2	-23.7	177	-65.7	180	0	0	0	112.3	F199 I216 D222 L225 A237 L254 N257 I258 R312	F199-L220 HydrophobicContact CE1-CD2 4.2Å; F199-L220 HydrophobicContact CZ-CD2 4Å; I216-L220 HydrophobicContact CG1-CD1 4.22Å; I216-L220 HydrophobicContact CG1-CG 4.38Å; I216-L220 PolarHBondContact O-N 3.36Å; L220-D222 PolarHBondContact O-N 3.45Å; L220-L225 HydrophobicContact CD2-CD2 4.22Å; L220-A237 HydrophobicContact CD1-CB 3.83Å; L220-L254 HydrophobicContact CD1-CD1 3.83Å; L220-L254 HydrophobicContact CD1-CG 4.17Å; L220-N257 HydrophobicContact CB-CB 3.91Å; L220-I258 HydrophobicContact CD1-CD1 4.36Å; L220-R312 PolarHBondContact O-NH2 3.48Å
221	A	95.9	Very high	94.3	Very high	35 Å²	35	41.1 Å²	41.1	29%	0.289	23%	0.225	S	C	.	.	H	α-helix	trans	-75.7	-8.7	172.5	0	0	0	0	0	113.3	N217 E218 L219 D223 R307	N217-A221 WeakPolarHBondContact O-CB 3.38Å; N217-A221 PolarHBondContact O-N 3.08Å; E218-A221 PolarHBondContact O-N 3.25Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 2.86Å; A221-D223 PolarHBondContact O-N 3.46Å; A221-R307 VanDerWaalsContact O-CZ 3.3Å; A221-R307 PolarHBondContact O-NH2 2.85Å
222	D	94.6	Very high	94.2	Very high	35 Å²	35	42.1 Å²	42.1	19%	0.187	23%	0.231	C	C	.	.			trans	-71.3	128.3	176.2	-165.4	-28.9	0	0	0	110.9	R196 E218 L219 L220 D224 L225 R312	R196-D222 WeakPolarHBondContact CD-OD2 3.3Å; R196-D222 IonicContact CZ-OD2 2.87Å; R196-D222 IonicContact NE-OD2 2.7Å; R196-D222 IonicContact NH1-OD2 2.67Å; R196-D222 PolarHBondContact NH1-OD2 3.42Å; E218-D222 PolarHBondContact O-N 3.42Å; E218-D222 VanDerWaalsContact O-N 3.15Å; L219-D222 WeakPolarHBondContact O-CB 2.99Å; L219-D222 PolarHBondContact O-N 3.39Å; L220-D222 PolarHBondContact O-N 3.45Å; D222-D224 PolarHBondContact OD1-N 2.75Å; D222-L225 HydrophobicContact CB-CB 4.19Å; D222-R312 PolarHBondContact O-NE 3.47Å
223	D	92.8	Very high	94.2	Very high	72 Å²	72	38.8 Å²	38.8	39%	0.385	21%	0.211	S	C	.	.	S	Bend	trans	-80.7	-21.2	-179.2	-77.4	-8.3	0	0	0	113.2	A221 R259 R307 G313	A221-D223 PolarHBondContact O-N 3.46Å; D223-R259 VanDerWaalsContact CA-NH2 3.28Å; D223-R259 IonicContact OD1-CZ 3.46Å; D223-R259 IonicContact OD1-NH2 3.2Å; D223-R259 PolarHBondContact OD1-NH2 2.87Å; D223-R259 IonicContact OD2-NH2 3.57Å; D223-R307 IonicContact OD1-CZ 3.92Å; D223-R307 IonicContact OD1-NE 3.79Å; D223-R307 PolarHBondContact OD1-NE 3.17Å; D223-R307 IonicContact OD1-NH2 3.98Å; D223-R307 PolarHBondContact OD1-NH2 2.94Å; D223-R307 IonicContact OD2-NE 2.7Å; D223-G313 PolarHBondContact O-N 2.86Å
224	D	91.1	Very high	94.2	Very high	107 Å²	107	37.2 Å²	37.2	57%	0.572	20%	0.204	S	C	*	.	S	Bend	trans	-95	-0.3	179.6	-65	-41.2	0	0	0	112.5	D222 Q226	D222-D224 PolarHBondContact OD1-N 2.75Å; D224-Q226 PolarHBondContact O-N 3.37Å; D224-Q226 PolarHBondContact O-NE2 3.47Å
225	L	92.1	Very high	94.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.197	C	C	.	.			trans	-58	126.2	177.1	179.8	69.6	0	0	0	111.1	R196 F199 L220 D222 L227 R312	R196-L225 HydrophobicContact CG-CD1 4.37Å; F199-L225 HydrophobicContact CB-CD1 3.66Å; F199-L225 HydrophobicContact CD1-CD1 4Å; F199-L225 HydrophobicContact CD1-CD2 4.11Å; F199-L225 HydrophobicContact CD1-CG 4.44Å; F199-L225 HydrophobicContact CD2-CD1 3.86Å; F199-L225 HydrophobicContact CE1-CD2 4.01Å; F199-L225 HydrophobicContact CE2-CD1 4.48Å; F199-L225 HydrophobicContact CG-CD1 3.58Å; F199-L225 HydrophobicContact CG-CD2 4.45Å; F199-L225 HydrophobicContact CG-CG 4.48Å; F199-L225 HydrophobicContact CZ-CD2 4.29Å; L220-L225 HydrophobicContact CD2-CD2 4.22Å; D222-L225 HydrophobicContact CB-CB 4.19Å; L225-L227 HydrophobicContact CD2-CD1 3.78Å; L225-L227 HydrophobicContact CD2-CD2 4.47Å; L225-L227 HydrophobicContact CD2-CG 4.09Å; L225-L227 HydrophobicContact CG-CD1 4.29Å; L225-L227 HydrophobicContact CG-CG 4.1Å; L225-L227 PolarHBondContact O-N 3.34Å; L225-R312 HydrophobicContact CB-CG 4.48Å; L225-R312 WeakPolarHBondContact O-CG 3.41Å
226	Q	86.7	Confident	94.3	Very high	47 Å²	47	35.1 Å²	35.1	22%	0.22	19%	0.19	C	C	.	.			trans	-89.2	112.2	-175.7	-60.9	-59.6	-51.8	0	0	110.6	D224 N616	D224-Q226 PolarHBondContact O-N 3.37Å; D224-Q226 PolarHBondContact O-NE2 3.47Å; Q226-N616 PolarHBondContact OE1-ND2 2.89Å
227	L	88.7	Confident	94.4	Very high	15 Å²	15	35.1 Å²	35.1	8%	0.079	19%	0.19	C	C	.	.			trans	-133.1	148.6	178.5	-66.2	174.3	0	0	0	110.5	F199 I200 L225 S229 A233 I236	F199-L227 HydrophobicContact CD1-CD2 3.73Å; F199-L227 HydrophobicContact CE1-CD2 4.2Å; I200-L227 HydrophobicContact CD1-CD2 3.44Å; I200-L227 VanDerWaalsContact CD1-CD2 3.44Å; I200-L227 HydrophobicContact CG1-CD2 4.33Å; L225-L227 HydrophobicContact CD2-CD1 3.78Å; L225-L227 HydrophobicContact CD2-CD2 4.47Å; L225-L227 HydrophobicContact CD2-CG 4.09Å; L225-L227 HydrophobicContact CG-CD1 4.29Å; L225-L227 HydrophobicContact CG-CG 4.1Å; L225-L227 PolarHBondContact O-N 3.34Å; L227-S229 PolarHBondContact O-N 2.91Å; L227-A233 HydrophobicContact CD1-CB 3.47Å; L227-A233 VanDerWaalsContact CD1-CB 3.47Å; L227-I236 HydrophobicContact CD2-CD1 4.43Å
228	P	88.6	Confident	94.4	Very high	41 Å²	41	33.8 Å²	33.8	27%	0.266	18%	0.183	S	C	.	.	S	Bend	trans	-61.9	-34.3	171.8	-18.2	28.6	0	0	0	113	V232 T619	P228-V232 HydrophobicContact CB-CG2 4.44Å; P228-V232 HydrophobicContact CG-CG2 4.38Å; P228-T619 WeakPolarHBondContact CA-OG1 3.47Å
229	S	91.4	Very high	94.4	Very high	46 Å²	46	32.3 Å²	32.3	32%	0.322	18%	0.175	S	C	.	.			trans	-168.9	162	-179	58.3	0	0	0	0	111.1	L227 I231 V232 A233	L227-S229 PolarHBondContact O-N 2.91Å; S229-I231 PolarHBondContact O-N 2.68Å; S229-I231 WeakPolarHBondContact OG-CG2 3.37Å; S229-V232 WeakPolarHBondContact O-CB 3.42Å; S229-V232 PolarHBondContact O-N 3.48Å; S229-A233 PolarHBondContact O-N 3.31Å
230	E	95.1	Very high	94.5	Very high	13 Å²	13	31.6 Å²	31.6	6%	0.061	17%	0.171	C	C	.	.	H	α-helix	trans	-68.8	-19.3	173.9	-73.7	-63.5	135.1	0	0	113.5	V232 A233 F234 I258 R259 T262 I263 R312	E230-V232 VanDerWaalsContact C-N 3.28Å; E230-V232 PolarHBondContact O-N 3.11Å; E230-A233 WeakPolarHBondContact O-CB 3.44Å; E230-A233 PolarHBondContact O-N 3.01Å; E230-F234 WeakPolarHBondContact O-CB 3.12Å; E230-F234 PolarHBondContact O-N 3.31Å; E230-I258 HydrophobicContact CB-CG2 4.44Å; E230-R259 HydrophobicContact CG-CB 3.84Å; E230-R259 PolarHBondContact OE2-N 3.47Å; E230-T262 WeakPolarHBondContact CG-OG1 3.41Å; E230-I263 HydrophobicContact CB-CD1 3.91Å; E230-I263 HydrophobicContact CB-CG1 3.57Å; E230-R312 WeakPolarHBondContact OE1-CB 3.41Å; E230-R312 WeakPolarHBondContact OE1-CD 2.92Å; E230-R312 IonicContact OE1-CZ 2.67Å; E230-R312 IonicContact OE1-NE 2.77Å; E230-R312 IonicContact OE1-NH1 3.51Å; E230-R312 PolarHBondContact OE1-NH1 3.44Å; E230-R312 IonicContact OE2-CZ 2.71Å; E230-R312 IonicContact OE2-NH1 3.17Å; E230-R312 PolarHBondContact OE2-NH1 2.69Å
231	I	95.4	Very high	94.5	Very high	26 Å²	26	32 Å²	32	13%	0.133	17%	0.174	C	C	.	.	H	α-helix	trans	-67	-35	172.3	-173.1	65.1	0	0	0	111.1	S229 F234 Q235 I263 Y271 V272	S229-I231 PolarHBondContact O-N 2.68Å; S229-I231 WeakPolarHBondContact OG-CG2 3.37Å; I231-F234 HydrophobicContact CD1-CD1 3.93Å; I231-F234 WeakPolarHBondContact O-CB 3.38Å; I231-F234 PolarHBondContact O-N 3.46Å; I231-Q235 VanDerWaalsContact O-CG 3.29Å; I231-Q235 WeakPolarHBondContact O-CG 3.24Å; I231-Q235 PolarHBondContact O-N 2.96Å; I231-I263 HydrophobicContact CB-CD1 4.44Å; I231-Y271 VanDerWaalsContact CD1-CB 3.48Å; I231-Y271 HydrophobicContact CD1-CG 4.27Å; I231-Y271 HydrophobicContact CG1-CD2 4.45Å; I231-Y271 HydrophobicContact CG1-CG 4.43Å; I231-V272 HydrophobicContact CD1-CG2 3.86Å
232	V	95.3	Very high	94.5	Very high	27 Å²	27	37.2 Å²	37.2	16%	0.164	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-41.4	173	176.8	0	0	0	0	110.4	I200 P228 S229 E230 F234 Q235 I236	I200-V232 HydrophobicContact CD1-CG1 3.57Å; P228-V232 HydrophobicContact CB-CG2 4.44Å; P228-V232 HydrophobicContact CG-CG2 4.38Å; S229-V232 WeakPolarHBondContact O-CB 3.42Å; S229-V232 PolarHBondContact O-N 3.48Å; E230-V232 VanDerWaalsContact C-N 3.28Å; E230-V232 PolarHBondContact O-N 3.11Å; V232-F234 VanDerWaalsContact C-N 3.3Å; V232-F234 PolarHBondContact O-N 3.44Å; V232-Q235 PolarHBondContact O-N 3.42Å; V232-I236 HydrophobicContact CG1-CD1 3.82Å; V232-I236 HydrophobicContact CG1-CG1 4.4Å; V232-I236 WeakPolarHBondContact O-CB 3.18Å; V232-I236 VanDerWaalsContact O-CG1 3.3Å; V232-I236 WeakPolarHBondContact O-CG1 3.33Å; V232-I236 PolarHBondContact O-N 3.43Å
233	A	96.6	Very high	94.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-55.9	-46.3	173.6	0	0	0	0	0	111.6	L227 S229 E230 I236 A237 I258	L227-A233 HydrophobicContact CD1-CB 3.47Å; L227-A233 VanDerWaalsContact CD1-CB 3.47Å; S229-A233 PolarHBondContact O-N 3.31Å; E230-A233 WeakPolarHBondContact O-CB 3.44Å; E230-A233 PolarHBondContact O-N 3.01Å; A233-I236 PolarHBondContact O-N 2.78Å; A233-A237 WeakPolarHBondContact O-CB 3.46Å; A233-A237 PolarHBondContact O-N 2.66Å; A233-I258 HydrophobicContact CB-CD1 3.67Å
234	F	98.3	Very high	94.6	Very high	3 Å²	3	40.8 Å²	40.8	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-49	177.4	175	-109.6	0	0	0	111.8	E230 I231 V232 I236 A237 I238 L255 I258 F260 V272 V275 M278	E230-F234 WeakPolarHBondContact O-CB 3.12Å; E230-F234 PolarHBondContact O-N 3.31Å; I231-F234 HydrophobicContact CD1-CD1 3.93Å; I231-F234 WeakPolarHBondContact O-CB 3.38Å; I231-F234 PolarHBondContact O-N 3.46Å; V232-F234 VanDerWaalsContact C-N 3.3Å; V232-F234 PolarHBondContact O-N 3.44Å; F234-I236 VanDerWaalsContact C-N 3.34Å; F234-I236 PolarHBondContact O-N 3.25Å; F234-A237 PolarHBondContact O-N 3.5Å; F234-I238 HydrophobicContact CD1-CG1 4.43Å; F234-I238 HydrophobicContact CD2-CG1 4.17Å; F234-I238 HydrophobicContact CE1-CG1 4.06Å; F234-I238 HydrophobicContact CE2-CD1 3.89Å; F234-I238 HydrophobicContact CE2-CG1 3.76Å; F234-I238 HydrophobicContact CG-CG1 4.49Å; F234-I238 HydrophobicContact CZ-CD1 3.99Å; F234-I238 HydrophobicContact CZ-CG1 3.71Å; F234-I238 WeakPolarHBondContact O-CG1 3.38Å; F234-I238 PolarHBondContact O-N 2.65Å; F234-L255 HydrophobicContact CD2-CD2 3.87Å; F234-L255 HydrophobicContact CE2-CD1 4.4Å; F234-L255 HydrophobicContact CE2-CD2 4Å; F234-I258 HydrophobicContact CB-CG2 4.15Å; F234-F260 AromaticContact CD2-CE1 3.59Å; F234-F260 HydrophobicContact CD2-CE1 3.59Å; F234-F260 AromaticContact CD2-CZ 3.69Å; F234-F260 HydrophobicContact CD2-CZ 3.69Å; F234-F260 AromaticContact CE2-CE1 3.98Å; F234-F260 HydrophobicContact CE2-CE1 3.98Å; F234-F260 AromaticContact CE2-CZ 3.99Å; F234-F260 HydrophobicContact CE2-CZ 3.99Å; F234-F260 HydrophobicContact CG-CE1 4.19Å; F234-V272 HydrophobicContact CD1-CG2 4.01Å; F234-V272 HydrophobicContact CE1-CB 4.28Å; F234-V272 HydrophobicContact CE1-CG1 4.33Å; F234-V272 HydrophobicContact CE1-CG2 4.04Å; F234-V272 HydrophobicContact CE2-CG1 4.14Å; F234-V272 HydrophobicContact CG-CG2 4.38Å; F234-V272 HydrophobicContact CZ-CB 4.37Å; F234-V272 HydrophobicContact CZ-CG1 3.94Å; F234-V272 HydrophobicContact CZ-CG2 4.45Å; F234-V275 HydrophobicContact CE1-CG2 3.73Å; F234-V275 HydrophobicContact CZ-CB 4.09Å; F234-V275 HydrophobicContact CZ-CG1 4.45Å; F234-V275 HydrophobicContact CZ-CG2 3.72Å; F234-M278 HydrophobicContact CE2-CG 4.13Å; F234-M278 HydrophobicContact CE2-SD 3.89Å; F234-M278 HydrophobicContact CZ-CG 3.95Å; F234-M278 HydrophobicContact CZ-SD 4.33Å
235	Q	97.3	Very high	94.8	Very high	100 Å²	100	43.9 Å²	43.9	47%	0.467	22%	0.216	S	C	.	.	H	α-helix	trans	-59.8	-42.8	178.5	-72.7	168.5	-17.4	0	0	112.1	I231 V232 I238 K239	I231-Q235 VanDerWaalsContact O-CG 3.29Å; I231-Q235 WeakPolarHBondContact O-CG 3.24Å; I231-Q235 PolarHBondContact O-N 2.96Å; V232-Q235 PolarHBondContact O-N 3.42Å; Q235-I238 PolarHBondContact O-N 3.23Å; Q235-K239 WeakPolarHBondContact O-CB 3.18Å; Q235-K239 PolarHBondContact O-N 3.26Å
236	I	97.8	Very high	94.9	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.041	25%	0.25	C	C	.	.	H	α-helix	trans	-62.1	-43.6	176.2	-71	169.7	0	0	0	111	F199 I200 F208 L227 V232 A233 F234 K239 W240	F199-I236 HydrophobicContact CD1-CD1 4.23Å; F199-I236 HydrophobicContact CE1-CD1 3.88Å; F199-I236 HydrophobicContact CE1-CG2 4.07Å; F199-I236 HydrophobicContact CZ-CG2 4.24Å; I200-I236 HydrophobicContact CD1-CD1 3.96Å; F208-I236 HydrophobicContact CE1-CG2 3.9Å; F208-I236 HydrophobicContact CE2-CG2 4.04Å; F208-I236 HydrophobicContact CZ-CG2 3.3Å; L227-I236 HydrophobicContact CD2-CD1 4.43Å; V232-I236 HydrophobicContact CG1-CD1 3.82Å; V232-I236 HydrophobicContact CG1-CG1 4.4Å; V232-I236 WeakPolarHBondContact O-CB 3.18Å; V232-I236 VanDerWaalsContact O-CG1 3.3Å; V232-I236 WeakPolarHBondContact O-CG1 3.33Å; V232-I236 PolarHBondContact O-N 3.43Å; A233-I236 PolarHBondContact O-N 2.78Å; F234-I236 VanDerWaalsContact C-N 3.34Å; F234-I236 PolarHBondContact O-N 3.25Å; I236-K239 PolarHBondContact O-N 3.23Å; I236-W240 PolarHBondContact O-N 3.12Å; I236-W240 VanDerWaalsContact O-N 3.14Å
237	A	98.1	Very high	95.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64	-44	177.4	0	0	0	0	0	112	L220 A233 F234 W240 L241 L254 L255 I258	L220-A237 HydrophobicContact CD1-CB 3.83Å; A233-A237 WeakPolarHBondContact O-CB 3.46Å; A233-A237 PolarHBondContact O-N 2.66Å; F234-A237 PolarHBondContact O-N 3.5Å; A237-W240 PolarHBondContact O-N 2.96Å; A237-L241 WeakPolarHBondContact O-CG 3.48Å; A237-L241 PolarHBondContact O-N 2.94Å; A237-L254 HydrophobicContact CB-CD2 4.16Å; A237-L254 HydrophobicContact CB-CG 4.36Å; A237-L255 HydrophobicContact CB-CD2 3.81Å; A237-I258 HydrophobicContact CB-CD1 4.35Å
238	I	97.4	Very high	95.5	Very high	18 Å²	18	52 Å²	52	9%	0.092	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-45.5	176.1	-66.9	-61.3	0	0	0	110.9	F234 Q235 W240 L241 E242 L255 V275	F234-I238 HydrophobicContact CD1-CG1 4.43Å; F234-I238 HydrophobicContact CD2-CG1 4.17Å; F234-I238 HydrophobicContact CE1-CG1 4.06Å; F234-I238 HydrophobicContact CE2-CD1 3.89Å; F234-I238 HydrophobicContact CE2-CG1 3.76Å; F234-I238 HydrophobicContact CG-CG1 4.49Å; F234-I238 HydrophobicContact CZ-CD1 3.99Å; F234-I238 HydrophobicContact CZ-CG1 3.71Å; F234-I238 WeakPolarHBondContact O-CG1 3.38Å; F234-I238 PolarHBondContact O-N 2.65Å; Q235-I238 PolarHBondContact O-N 3.23Å; I238-W240 VanDerWaalsContact C-N 3.27Å; I238-W240 PolarHBondContact O-N 2.86Å; I238-L241 HydrophobicContact CD1-CD1 4.34Å; I238-L241 PolarHBondContact O-N 2.83Å; I238-L241 VanDerWaalsContact O-N 3.07Å; I238-E242 VanDerWaalsContact CG2-CD 3.5Å; I238-E242 HydrophobicContact CG2-CG 4.02Å; I238-E242 WeakPolarHBondContact O-CB 3.28Å; I238-E242 WeakPolarHBondContact O-CG 3.36Å; I238-E242 PolarHBondContact O-N 3.21Å; I238-L255 HydrophobicContact CD1-CD1 4.16Å; I238-L255 HydrophobicContact CD1-CD2 4.16Å; I238-V275 HydrophobicContact CD1-CG1 4.06Å
239	K	96.7	Very high	95.8	Very high	67 Å²	67	57.4 Å²	57.4	29%	0.291	27%	0.272	S	S	.	.	H	α-helix	trans	-53.4	-44	175.6	-177.3	-175.5	-179.1	-173.2	0	111.9	S203 E204 L209 Q235 I236 F243	S203-K239 PolarHBondContact O-NZ 2.75Å; E204-K239 IonicContact OE2-NZ 3.97Å; E204-K239 PolarHBondContact OE2-NZ 3.27Å; L209-K239 HydrophobicContact CD2-CG 4.29Å; Q235-K239 WeakPolarHBondContact O-CB 3.18Å; Q235-K239 PolarHBondContact O-N 3.26Å; I236-K239 PolarHBondContact O-N 3.23Å; K239-F243 PolarHBondContact O-N 2.87Å
240	W	97.9	Very high	96.1	Very high	3 Å²	3	57.9 Å²	57.9	1%	0.011	27%	0.269	C	S	.	.	H	α-helix	trans	-70.1	-38.1	177.7	-178.2	92.4	0	0	0	113	F208 L211 F213 I216 I236 A237 I238 R247 F250 L254	F208-W240 HydrophobicContact CE1-CB 3.98Å; F208-W240 HydrophobicContact CZ-CB 4.42Å; L211-W240 WeakPolarHBondContact O-CZ2 3.09Å; L211-W240 PolarHBondContact O-NE1 3.29Å; F213-W240 HydrophobicContact CB-CH2 3.98Å; F213-W240 HydrophobicContact CD2-CH2 4.3Å; I216-W240 HydrophobicContact CD1-CB 3.43Å; I216-W240 VanDerWaalsContact CD1-CB 3.43Å; I216-W240 HydrophobicContact CD1-CD2 3.73Å; I216-W240 HydrophobicContact CD1-CE3 4.28Å; I216-W240 HydrophobicContact CD1-CG 3.33Å; I216-W240 HydrophobicContact CG2-CD2 3.96Å; I216-W240 HydrophobicContact CG2-CE3 4.16Å; I216-W240 HydrophobicContact CG2-CH2 4.07Å; I216-W240 HydrophobicContact CG2-CZ2 3.85Å; I216-W240 HydrophobicContact CG2-CZ3 4.21Å; I236-W240 PolarHBondContact O-N 3.12Å; I236-W240 VanDerWaalsContact O-N 3.14Å; A237-W240 PolarHBondContact O-N 2.96Å; I238-W240 VanDerWaalsContact C-N 3.27Å; I238-W240 PolarHBondContact O-N 2.86Å; W240-R247 VanDerWaalsContact CD1-NH1 3.34Å; W240-R247 HydrophobicContact CE3-CB 4.43Å; W240-R247 HydrophobicContact CH2-CB 4.16Å; W240-R247 HydrophobicContact CH2-CG 3.86Å; W240-R247 HydrophobicContact CZ2-CG 4.26Å; W240-R247 HydrophobicContact CZ3-CB 3.87Å; W240-R247 HydrophobicContact CZ3-CG 4.03Å; W240-R247 WeakPolarHBondContact O-CD 3.49Å; W240-R247 PolarHBondContact O-NH1 3.36Å; W240-F250 HydrophobicContact CH2-CD2 4.46Å; W240-L254 HydrophobicContact CE3-CD2 3.57Å; W240-L254 HydrophobicContact CZ3-CD2 3.88Å
241	L	97	Very high	96.2	Very high	9 Å²	9	57.4 Å²	57.4	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-67.7	-41.3	178.6	-73.8	167.1	0	0	0	112.3	A237 I238 F243 R247 A251 L254 L255	A237-L241 WeakPolarHBondContact O-CG 3.48Å; A237-L241 PolarHBondContact O-N 2.94Å; I238-L241 HydrophobicContact CD1-CD1 4.34Å; I238-L241 PolarHBondContact O-N 2.83Å; I238-L241 VanDerWaalsContact O-N 3.07Å; L241-F243 VanDerWaalsContact C-N 3.29Å; L241-F243 PolarHBondContact O-N 3.36Å; L241-R247 HydrophobicContact CD2-CB 4.2Å; L241-R247 WeakPolarHBondContact CD2-O 3.17Å; L241-A251 HydrophobicContact CD1-CB 4.01Å; L241-A251 HydrophobicContact CD2-CB 4.24Å; L241-L254 HydrophobicContact CD1-CD2 4.18Å; L241-L254 HydrophobicContact CD2-CD2 4.06Å; L241-L254 HydrophobicContact CG-CD2 3.88Å; L241-L255 HydrophobicContact CD1-CD1 4.4Å; L241-L255 HydrophobicContact CD1-CD2 4.34Å; L241-L255 HydrophobicContact CD1-CG 4.19Å
242	E	95.2	Very high	96.3	Very high	144 Å²	144	57.3 Å²	57.3	67%	0.673	27%	0.27	S	S	*	.	H	α-helix	trans	-75.2	-18.2	-176.7	-70.2	-177	163.6	0	0	113.3	I238 D244	I238-E242 VanDerWaalsContact CG2-CD 3.5Å; I238-E242 HydrophobicContact CG2-CG 4.02Å; I238-E242 WeakPolarHBondContact O-CB 3.28Å; I238-E242 WeakPolarHBondContact O-CG 3.36Å; I238-E242 PolarHBondContact O-N 3.21Å; E242-D244 VanDerWaalsContact C-N 3.31Å; E242-D244 PolarHBondContact O-N 3.44Å
243	F	96.3	Very high	96.4	Very high	122 Å²	122	60.9 Å²	60.9	54%	0.535	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.3	177.8	-176.8	-99.3	0	0	0	113.8	L209 K239 L241	L209-F243 HydrophobicContact CB-CD1 4.19Å; L209-F243 HydrophobicContact CB-CD2 4.07Å; L209-F243 HydrophobicContact CB-CE1 4.16Å; L209-F243 HydrophobicContact CB-CE2 4.04Å; L209-F243 HydrophobicContact CB-CG 4.13Å; L209-F243 HydrophobicContact CB-CZ 4.08Å; L209-F243 HydrophobicContact CD1-CD2 3.67Å; L209-F243 HydrophobicContact CD1-CE2 3.67Å; L209-F243 HydrophobicContact CD1-CG 4.45Å; L209-F243 HydrophobicContact CD1-CZ 4.46Å; L209-F243 HydrophobicContact CD2-CB 4.12Å; L209-F243 HydrophobicContact CD2-CD2 4.04Å; L209-F243 HydrophobicContact CD2-CG 4.09Å; L209-F243 HydrophobicContact CG-CD2 4.13Å; L209-F243 HydrophobicContact CG-CE2 4.35Å; L209-F243 HydrophobicContact CG-CG 4.45Å; K239-F243 PolarHBondContact O-N 2.87Å; L241-F243 VanDerWaalsContact C-N 3.29Å; L241-F243 PolarHBondContact O-N 3.36Å
244	D	94.9	Very high	96.5	Very high	60 Å²	60	60.9 Å²	60.9	32%	0.321	29%	0.288	S	S	.	.			trans	-141.9	120.1	176.7	177.4	-0.8	0	0	0	110.3	E242 K246 R247	E242-D244 VanDerWaalsContact C-N 3.31Å; E242-D244 PolarHBondContact O-N 3.44Å; D244-K246 PolarHBondContact O-N 3.4Å; D244-K246 WeakPolarHBondContact OD1-CB 3.4Å; D244-K246 WeakPolarHBondContact OD1-CG 3.31Å; D244-K246 PolarHBondContact OD1-N 3.03Å; D244-R247 HydrophobicContact CB-CG 4.02Å; D244-R247 VanDerWaalsContact O-CB 3.25Å; D244-R247 WeakPolarHBondContact O-CB 3.44Å; D244-R247 WeakPolarHBondContact O-CG 3.46Å; D244-R247 PolarHBondContact O-N 3.39Å
245	Q	93.4	Very high	96.4	Very high	171 Å²	171	60.7 Å²	60.7	80%	0.799	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-54.8	-27.2	-179.9	-165.6	177.2	19.4	0	0	113.3	R247 V248	Q245-R247 PolarHBondContact O-N 3.38Å; Q245-V248 WeakPolarHBondContact O-CB 3.22Å; Q245-V248 VanDerWaalsContact O-CG2 3.26Å; Q245-V248 WeakPolarHBondContact O-CG2 3.36Å; Q245-V248 PolarHBondContact O-N 2.87Å
246	K	95.8	Very high	96.4	Very high	164 Å²	164	57 Å²	57	71%	0.713	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-66.6	-19.2	176.3	-64.2	175.4	-175.8	172.2	0	113.2	D244 V248 K249	D244-K246 PolarHBondContact O-N 3.4Å; D244-K246 WeakPolarHBondContact OD1-CB 3.4Å; D244-K246 WeakPolarHBondContact OD1-CG 3.31Å; D244-K246 PolarHBondContact OD1-N 3.03Å; K246-V248 VanDerWaalsContact C-N 3.32Å; K246-K249 WeakPolarHBondContact O-CE 3.4Å; K246-K249 WeakPolarHBondContact O-CG 3.23Å
247	R	96.4	Very high	96.5	Very high	28 Å²	28	57.4 Å²	57.4	11%	0.106	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-79.4	-17	180	-62.1	173.4	-177.9	-176.1	-1.9	113	L209 W240 L241 D244 Q245 K249 F250	L209-R247 PolarHBondContact O-NH1 2.89Å; L209-R247 PolarHBondContact O-NH2 3.21Å; W240-R247 VanDerWaalsContact CD1-NH1 3.34Å; W240-R247 HydrophobicContact CE3-CB 4.43Å; W240-R247 HydrophobicContact CH2-CB 4.16Å; W240-R247 HydrophobicContact CH2-CG 3.86Å; W240-R247 HydrophobicContact CZ2-CG 4.26Å; W240-R247 HydrophobicContact CZ3-CB 3.87Å; W240-R247 HydrophobicContact CZ3-CG 4.03Å; W240-R247 WeakPolarHBondContact O-CD 3.49Å; W240-R247 PolarHBondContact O-NH1 3.36Å; L241-R247 HydrophobicContact CD2-CB 4.2Å; L241-R247 WeakPolarHBondContact CD2-O 3.17Å; D244-R247 HydrophobicContact CB-CG 4.02Å; D244-R247 VanDerWaalsContact O-CB 3.25Å; D244-R247 WeakPolarHBondContact O-CB 3.44Å; D244-R247 WeakPolarHBondContact O-CG 3.46Å; D244-R247 PolarHBondContact O-N 3.39Å; Q245-R247 PolarHBondContact O-N 3.38Å; R247-K249 PolarHBondContact O-N 3.1Å; R247-K249 VanDerWaalsContact O-N 3.08Å; R247-F250 WeakPolarHBondContact O-CB 3.37Å; R247-F250 PolarHBondContact O-N 3.03Å
248	V	91.7	Very high	96.4	Very high	41 Å²	41	57.4 Å²	57.4	25%	0.248	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-53	-34.4	-179.4	169.7	0	0	0	0	112.6	Q245 K246 F250 A251 R277	Q245-V248 WeakPolarHBondContact O-CB 3.22Å; Q245-V248 VanDerWaalsContact O-CG2 3.26Å; Q245-V248 WeakPolarHBondContact O-CG2 3.36Å; Q245-V248 PolarHBondContact O-N 2.87Å; K246-V248 VanDerWaalsContact C-N 3.32Å; V248-F250 PolarHBondContact O-N 3.26Å; V248-F250 VanDerWaalsContact O-N 3.14Å; V248-A251 WeakPolarHBondContact O-CB 3.45Å; V248-A251 PolarHBondContact O-N 3.07Å; V248-R277 VanDerWaalsContact CG1-NH1 3.31Å; V248-R277 VanDerWaalsContact CG1-NH2 3.34Å
249	K	94.7	Very high	96.4	Very high	155 Å²	155	56.7 Å²	56.7	67%	0.674	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-61.1	-19.9	176.9	69.1	-174.9	177.6	166.6	0	114.3	K246 R247	K246-K249 WeakPolarHBondContact O-CE 3.4Å; K246-K249 WeakPolarHBondContact O-CG 3.23Å; R247-K249 PolarHBondContact O-N 3.1Å; R247-K249 VanDerWaalsContact O-N 3.08Å
250	F	97.3	Very high	96.4	Very high	57 Å²	57	53.6 Å²	53.6	25%	0.25	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-96.8	2.5	179.1	-57.6	-61.5	0	0	0	113	F213 W240 R247 V248 A252 D253 L254	F213-F250 HydrophobicContact CB-CD1 4.5Å; F213-F250 HydrophobicContact CB-CD2 4.13Å; F213-F250 HydrophobicContact CB-CE1 4.45Å; F213-F250 HydrophobicContact CB-CE2 4.08Å; F213-F250 HydrophobicContact CB-CG 4.33Å; F213-F250 HydrophobicContact CB-CZ 4.22Å; F213-F250 HydrophobicContact CD1-CD1 4.06Å; F213-F250 HydrophobicContact CD1-CE1 4.13Å; F213-F250 HydrophobicContact CD2-CB 3.53Å; F213-F250 AromaticContact CD2-CD1 3.92Å; F213-F250 HydrophobicContact CD2-CD1 3.92Å; F213-F250 HydrophobicContact CD2-CD2 4.16Å; F213-F250 AromaticContact CD2-CG 3.64Å; F213-F250 HydrophobicContact CD2-CG 3.64Å; F213-F250 HydrophobicContact CE1-CD1 4.25Å; F213-F250 HydrophobicContact CE2-CB 3.64Å; F213-F250 HydrophobicContact CE2-CD1 4.13Å; F213-F250 HydrophobicContact CE2-CG 4.07Å; F213-F250 HydrophobicContact CG-CB 4.3Å; F213-F250 AromaticContact CG-CD1 3.87Å; F213-F250 HydrophobicContact CG-CD1 3.87Å; F213-F250 HydrophobicContact CG-CD2 4.21Å; F213-F250 HydrophobicContact CG-CE1 4.13Å; F213-F250 HydrophobicContact CG-CE2 4.45Å; F213-F250 AromaticContact CG-CG 3.9Å; F213-F250 HydrophobicContact CG-CG 3.9Å; F213-F250 HydrophobicContact CG-CZ 4.39Å; F213-F250 HydrophobicContact CZ-CB 4.48Å; F213-F250 HydrophobicContact CZ-CD1 4.28Å; W240-F250 HydrophobicContact CH2-CD2 4.46Å; R247-F250 WeakPolarHBondContact O-CB 3.37Å; R247-F250 PolarHBondContact O-N 3.03Å; V248-F250 PolarHBondContact O-N 3.26Å; V248-F250 VanDerWaalsContact O-N 3.14Å; F250-A252 PolarHBondContact O-N 2.86Å; F250-D253 PolarHBondContact O-N 3.47Å; F250-L254 WeakPolarHBondContact O-CB 3.38Å; F250-L254 PolarHBondContact O-N 3.26Å
251	A	96.9	Very high	96.3	Very high	2 Å²	2	53.7 Å²	53.7	2%	0.017	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-47.8	-170.7	0	0	0	0	0	112.4	L241 V248 D253 L254 L255 R277	L241-A251 HydrophobicContact CD1-CB 4.01Å; L241-A251 HydrophobicContact CD2-CB 4.24Å; V248-A251 WeakPolarHBondContact O-CB 3.45Å; V248-A251 PolarHBondContact O-N 3.07Å; A251-D253 PolarHBondContact O-N 3.49Å; A251-L254 PolarHBondContact O-N 3.46Å; A251-L255 WeakPolarHBondContact O-CB 3.39Å; A251-L255 WeakPolarHBondContact O-CG 3.32Å; A251-L255 PolarHBondContact O-N 3.37Å; A251-R277 HydrophobicContact CB-CG 4.34Å
252	A	96.9	Very high	96.2	Very high	25 Å²	25	54.5 Å²	54.5	21%	0.207	27%	0.268	C	S	.	.	H	α-helix	trans	-61.5	-45.5	-179.4	0	0	0	0	0	112.2	F250 G256 D283	F250-A252 PolarHBondContact O-N 2.86Å; A252-G256 PolarHBondContact O-N 3.29Å; A252-D283 HydrophobicContact CB-CB 3.6Å
253	D	97.6	Very high	96.2	Very high	101 Å²	101	48 Å²	48	54%	0.54	24%	0.237	S	C	.	.	H	α-helix	trans	-65.2	-47.1	179.4	-62.5	-41.8	0	0	0	111.4	F213 F250 A251 G256 N257	F213-D253 HydrophobicContact CE2-CB 4.23Å; F213-D253 HydrophobicContact CZ-CB 3.83Å; F250-D253 PolarHBondContact O-N 3.47Å; A251-D253 PolarHBondContact O-N 3.49Å; D253-G256 PolarHBondContact O-N 3.16Å; D253-N257 PolarHBondContact O-ND2 2.91Å
254	L	98.2	Very high	96.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-48.3	-179.5	-172.4	64.9	0	0	0	111.5	F213 I216 N217 L220 A237 W240 L241 F250 A251 G256 N257	F213-L254 HydrophobicContact CE2-CB 4.22Å; I216-L254 HydrophobicContact CD1-CD2 4.29Å; I216-L254 HydrophobicContact CG1-CD1 4.22Å; I216-L254 HydrophobicContact CG2-CD1 3.81Å; I216-L254 HydrophobicContact CG2-CD2 4.42Å; N217-L254 HydrophobicContact CB-CD1 4.37Å; L220-L254 HydrophobicContact CD1-CD1 3.83Å; L220-L254 HydrophobicContact CD1-CG 4.17Å; A237-L254 HydrophobicContact CB-CD2 4.16Å; A237-L254 HydrophobicContact CB-CG 4.36Å; W240-L254 HydrophobicContact CE3-CD2 3.57Å; W240-L254 HydrophobicContact CZ3-CD2 3.88Å; L241-L254 HydrophobicContact CD1-CD2 4.18Å; L241-L254 HydrophobicContact CD2-CD2 4.06Å; L241-L254 HydrophobicContact CG-CD2 3.88Å; F250-L254 WeakPolarHBondContact O-CB 3.38Å; F250-L254 PolarHBondContact O-N 3.26Å; A251-L254 PolarHBondContact O-N 3.46Å; L254-G256 PolarHBondContact O-N 3.38Å; L254-N257 WeakPolarHBondContact O-CB 3.39Å; L254-N257 PolarHBondContact O-N 2.94Å; L254-N257 VanDerWaalsContact O-N 3.11Å; L254-N257 PolarHBondContact O-ND2 2.87Å
255	L	98	Very high	96.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.5	-21.2	179.1	-64.1	178.2	0	0	0	112	F234 A237 I238 L241 A251 N257 I258 F260 M278 L287	F234-L255 HydrophobicContact CD2-CD2 3.87Å; F234-L255 HydrophobicContact CE2-CD1 4.4Å; F234-L255 HydrophobicContact CE2-CD2 4Å; A237-L255 HydrophobicContact CB-CD2 3.81Å; I238-L255 HydrophobicContact CD1-CD1 4.16Å; I238-L255 HydrophobicContact CD1-CD2 4.16Å; L241-L255 HydrophobicContact CD1-CD1 4.4Å; L241-L255 HydrophobicContact CD1-CD2 4.34Å; L241-L255 HydrophobicContact CD1-CG 4.19Å; A251-L255 WeakPolarHBondContact O-CB 3.39Å; A251-L255 WeakPolarHBondContact O-CG 3.32Å; A251-L255 PolarHBondContact O-N 3.37Å; L255-N257 PolarHBondContact O-N 3.04Å; L255-I258 HydrophobicContact CD2-CG1 4.22Å; L255-I258 WeakPolarHBondContact O-CB 3.41Å; L255-I258 WeakPolarHBondContact O-CG1 3.49Å; L255-I258 PolarHBondContact O-N 3.42Å; L255-F260 HydrophobicContact CB-CE2 4.48Å; L255-F260 HydrophobicContact CB-CZ 4.49Å; L255-F260 WeakPolarHBondContact O-CE2 3.2Å; L255-M278 HydrophobicContact CD1-SD 3.78Å; L255-L287 HydrophobicContact CB-CD1 3.97Å
256	G	97.4	Very high	96.3	Very high	21 Å²	21	41.3 Å²	41.3	22%	0.216	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.4	169.6	0	0	0	0	0	113.5	A252 D253 L254 I258 R308	A252-G256 PolarHBondContact O-N 3.29Å; D253-G256 PolarHBondContact O-N 3.16Å; L254-G256 PolarHBondContact O-N 3.38Å; G256-I258 VanDerWaalsContact C-N 3.32Å; G256-R308 WeakPolarHBondContact O-CD 3.45Å
257	N	98	Very high	96.3	Very high	17 Å²	17	35.9 Å²	35.9	9%	0.091	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.5	172.4	-64.6	-58.8	0	0	0	113.6	N217 L220 D253 L254 L255 R307 R312	N217-N257 PolarHBondContact OD1-ND2 3.05Å; L220-N257 HydrophobicContact CB-CB 3.91Å; D253-N257 PolarHBondContact O-ND2 2.91Å; L254-N257 WeakPolarHBondContact O-CB 3.39Å; L254-N257 PolarHBondContact O-N 2.94Å; L254-N257 VanDerWaalsContact O-N 3.11Å; L254-N257 PolarHBondContact O-ND2 2.87Å; L255-N257 PolarHBondContact O-N 3.04Å; N257-R307 PolarHBondContact OD1-NH1 3.06Å; N257-R312 PolarHBondContact O-NH2 3.46Å
258	I	97.8	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-78.1	133.1	178.5	-51.8	-55.9	0	0	0	109.4	L220 E230 A233 F234 A237 L255 G256 F260 I263	L220-I258 HydrophobicContact CD1-CD1 4.36Å; E230-I258 HydrophobicContact CB-CG2 4.44Å; A233-I258 HydrophobicContact CB-CD1 3.67Å; F234-I258 HydrophobicContact CB-CG2 4.15Å; A237-I258 HydrophobicContact CB-CD1 4.35Å; L255-I258 HydrophobicContact CD2-CG1 4.22Å; L255-I258 WeakPolarHBondContact O-CB 3.41Å; L255-I258 WeakPolarHBondContact O-CG1 3.49Å; L255-I258 PolarHBondContact O-N 3.42Å; G256-I258 VanDerWaalsContact C-N 3.32Å; I258-F260 HydrophobicContact CB-CD2 4.07Å; I258-F260 HydrophobicContact CB-CE1 4.28Å; I258-F260 HydrophobicContact CB-CE2 3.71Å; I258-F260 HydrophobicContact CB-CZ 3.82Å; I258-F260 HydrophobicContact CG1-CE2 4.5Å; I258-F260 HydrophobicContact CG1-CZ 4.33Å; I258-F260 HydrophobicContact CG2-CD1 3.95Å; I258-F260 HydrophobicContact CG2-CD2 4.19Å; I258-F260 HydrophobicContact CG2-CE1 3.8Å; I258-F260 HydrophobicContact CG2-CE2 4.08Å; I258-F260 HydrophobicContact CG2-CG 4.14Å; I258-F260 HydrophobicContact CG2-CZ 3.88Å; I258-F260 PolarHBondContact O-N 3.08Å; I258-I263 HydrophobicContact CG2-CD1 4.48Å
259	R	96.6	Very high	96.7	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.015	20%	0.198	C	C	.	.			trans	-90.4	62.1	-176.9	-47.9	-171.8	-175.7	178.7	6.8	109.9	D223 E230 G261 T262 R308 R310 I311 R312	D223-R259 VanDerWaalsContact CA-NH2 3.28Å; D223-R259 IonicContact OD1-CZ 3.46Å; D223-R259 IonicContact OD1-NH2 3.2Å; D223-R259 PolarHBondContact OD1-NH2 2.87Å; D223-R259 IonicContact OD2-NH2 3.57Å; E230-R259 HydrophobicContact CG-CB 3.84Å; E230-R259 PolarHBondContact OE2-N 3.47Å; R259-G261 PolarHBondContact O-N 2.8Å; R259-T262 HydrophobicContact CB-CG2 4.29Å; R259-T262 WeakPolarHBondContact O-CB 3.29Å; R259-T262 PolarHBondContact O-N 3.26Å; R259-T262 PolarHBondContact O-OG1 2.9Å; R259-R308 CarbonylContact C-O 3.58Å; R259-R308 VanDerWaalsContact CA-O 3.28Å; R259-R308 WeakPolarHBondContact CA-O 3.38Å; R259-R308 VanDerWaalsContact CB-O 3.29Å; R259-R308 WeakPolarHBondContact CB-O 3.39Å; R259-R310 WeakPolarHBondContact CD-O 3.37Å; R259-R310 VanDerWaalsContact NH1-C 3.31Å; R259-R310 PolarHBondContact NH1-O 2.91Å; R259-I311 PolarHBondContact NH1-O 3.17Å; R259-R312 VanDerWaalsContact CZ-CA 3.49Å; R259-R312 VanDerWaalsContact CZ-CB 3.42Å
260	F	97.3	Very high	96.8	Very high	1 Å²	1	32 Å²	32	0%	0.004	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-51.5	-32.7	-174.7	-69.1	-73.3	0	0	0	114	F234 L255 I258 T262 I263 L268 V272 M278 L287 A291	F234-F260 AromaticContact CD2-CE1 3.59Å; F234-F260 HydrophobicContact CD2-CE1 3.59Å; F234-F260 AromaticContact CD2-CZ 3.69Å; F234-F260 HydrophobicContact CD2-CZ 3.69Å; F234-F260 AromaticContact CE2-CE1 3.98Å; F234-F260 HydrophobicContact CE2-CE1 3.98Å; F234-F260 AromaticContact CE2-CZ 3.99Å; F234-F260 HydrophobicContact CE2-CZ 3.99Å; F234-F260 HydrophobicContact CG-CE1 4.19Å; L255-F260 HydrophobicContact CB-CE2 4.48Å; L255-F260 HydrophobicContact CB-CZ 4.49Å; L255-F260 WeakPolarHBondContact O-CE2 3.2Å; I258-F260 HydrophobicContact CB-CD2 4.07Å; I258-F260 HydrophobicContact CB-CE1 4.28Å; I258-F260 HydrophobicContact CB-CE2 3.71Å; I258-F260 HydrophobicContact CB-CZ 3.82Å; I258-F260 HydrophobicContact CG1-CE2 4.5Å; I258-F260 HydrophobicContact CG1-CZ 4.33Å; I258-F260 HydrophobicContact CG2-CD1 3.95Å; I258-F260 HydrophobicContact CG2-CD2 4.19Å; I258-F260 HydrophobicContact CG2-CE1 3.8Å; I258-F260 HydrophobicContact CG2-CE2 4.08Å; I258-F260 HydrophobicContact CG2-CG 4.14Å; I258-F260 HydrophobicContact CG2-CZ 3.88Å; I258-F260 PolarHBondContact O-N 3.08Å; F260-T262 PolarHBondContact O-N 3.05Å; F260-I263 HydrophobicContact CD1-CD1 3.91Å; F260-I263 WeakPolarHBondContact O-CB 3.22Å; F260-I263 PolarHBondContact O-N 3.32Å; F260-L268 HydrophobicContact CB-CD2 4.22Å; F260-L268 HydrophobicContact CD1-CD2 4.01Å; F260-V272 HydrophobicContact CD1-CG1 4.01Å; F260-V272 HydrophobicContact CD1-CG2 4.27Å; F260-V272 HydrophobicContact CE1-CG1 3.55Å; F260-V272 HydrophobicContact CE1-CG2 4.11Å; F260-V272 HydrophobicContact CZ-CG1 4.41Å; F260-M278 HydrophobicContact CE1-CE 4.27Å; F260-M278 HydrophobicContact CE2-CE 4.34Å; F260-M278 HydrophobicContact CZ-CE 3.88Å; F260-M278 HydrophobicContact CZ-SD 4.44Å; F260-L287 HydrophobicContact CD2-CB 4.03Å; F260-L287 HydrophobicContact CE2-CB 3.97Å; F260-L287 HydrophobicContact CE2-CD1 4.08Å; F260-A291 HydrophobicContact CB-CB 3.55Å
261	G	95.2	Very high	96.7	Very high	5 Å²	5	34.8 Å²	34.8	5%	0.052	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-67.6	-3.4	176.1	0	0	0	0	0	114.9	R259	R259-G261 PolarHBondContact O-N 2.8Å
262	T	94.8	Very high	96.8	Very high	26 Å²	26	34.7 Å²	34.7	16%	0.16	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-107	-1.4	172.6	70.5	0	0	0	0	113.1	E230 R259 F260 T309 F396	E230-T262 WeakPolarHBondContact CG-OG1 3.41Å; R259-T262 HydrophobicContact CB-CG2 4.29Å; R259-T262 WeakPolarHBondContact O-CB 3.29Å; R259-T262 PolarHBondContact O-N 3.26Å; R259-T262 PolarHBondContact O-OG1 2.9Å; F260-T262 PolarHBondContact O-N 3.05Å; T262-T309 WeakPolarHBondContact CG2-O 3.32Å; T262-F396 WeakPolarHBondContact O-CE1 3.35Å
263	I	96.1	Very high	96.8	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.036	20%	0.202	C	C	.	.	S	Bend	trans	-84.2	143.7	167.4	-58.5	179	0	0	0	107.6	E230 I231 I258 F260 D267 L268 V272 H295	E230-I263 HydrophobicContact CB-CD1 3.91Å; E230-I263 HydrophobicContact CB-CG1 3.57Å; I231-I263 HydrophobicContact CB-CD1 4.44Å; I258-I263 HydrophobicContact CG2-CD1 4.48Å; F260-I263 HydrophobicContact CD1-CD1 3.91Å; F260-I263 WeakPolarHBondContact O-CB 3.22Å; F260-I263 PolarHBondContact O-N 3.32Å; I263-D267 HydrophobicContact CG2-CB 3.57Å; I263-L268 HydrophobicContact CB-CD2 3.84Å; I263-L268 HydrophobicContact CB-CG 4.08Å; I263-L268 HydrophobicContact CD1-CD2 4.26Å; I263-L268 HydrophobicContact CG2-CD2 3.9Å; I263-L268 HydrophobicContact CG2-CG 3.93Å; I263-V272 HydrophobicContact CD1-CG2 4.24Å; I263-H295 PolarHBondContact O-CE1 3.21Å; I263-H295 PolarHBondContact O-NE2 3.39Å
264	S	94.8	Very high	96.7	Very high	33 Å²	33	37 Å²	37	23%	0.231	20%	0.203	C	C	.	.			trans	-65.6	149.9	178.2	81	0	0	0	0	111	Q266 D267 L268	S264-Q266 PolarHBondContact O-N 3.32Å; S264-D267 PolarHBondContact O-N 3.4Å; S264-D267 WeakPolarHBondContact OG-CB 3.37Å; S264-D267 PolarHBondContact OG-N 3.14Å; S264-D267 VanDerWaalsContact OG-N 3.09Å; S264-D267 PolarHBondContact OG-OD2 2.92Å; S264-L268 WeakPolarHBondContact O-CG 3.39Å; S264-L268 PolarHBondContact O-N 3.02Å
265	A	95.3	Very high	96.7	Very high	41 Å²	41	38 Å²	38	34%	0.339	21%	0.21	S	C	.	.	H	α-helix	trans	-56.7	-35.4	177.3	0	0	0	0	0	112.4	V269 H295	A265-V269 WeakPolarHBondContact O-CG2 3.5Å; A265-V269 PolarHBondContact O-N 3.47Å; A265-H295 HydrophobicContact CB-CB 4.17Å
266	Q	95.5	Very high	96.5	Very high	139 Å²	139	41.7 Å²	41.7	65%	0.65	23%	0.234	S	C	*	.	H	α-helix	trans	-64.6	-45	175.4	-178.6	173.6	6.6	0	0	111.7	S264 V269 N270	S264-Q266 PolarHBondContact O-N 3.32Å; Q266-V269 PolarHBondContact O-N 3.22Å; Q266-N270 WeakPolarHBondContact O-CB 3.44Å; Q266-N270 VanDerWaalsContact O-CG 3.22Å; Q266-N270 PolarHBondContact O-N 3.18Å; Q266-N270 PolarHBondContact O-ND2 3.33Å
267	D	96.4	Very high	96.2	Very high	50 Å²	50	44.6 Å²	44.6	27%	0.267	24%	0.238	S	C	.	.	H	α-helix	trans	-71.6	-31.5	-179.8	-63.9	-34.9	0	0	0	112.3	I263 S264 V269 N270 Y271	I263-D267 HydrophobicContact CG2-CB 3.57Å; S264-D267 PolarHBondContact O-N 3.4Å; S264-D267 WeakPolarHBondContact OG-CB 3.37Å; S264-D267 PolarHBondContact OG-N 3.14Å; S264-D267 VanDerWaalsContact OG-N 3.09Å; S264-D267 PolarHBondContact OG-OD2 2.92Å; D267-V269 VanDerWaalsContact C-N 3.32Å; D267-V269 PolarHBondContact O-N 2.91Å; D267-N270 PolarHBondContact O-N 3.07Å; D267-Y271 HydrophobicContact CB-CD2 3.91Å; D267-Y271 HydrophobicContact CB-CE2 4.32Å; D267-Y271 WeakPolarHBondContact O-CB 3.34Å; D267-Y271 WeakPolarHBondContact O-CD2 3.35Å; D267-Y271 PolarHBondContact O-N 3.27Å; D267-Y271 WeakPolarHBondContact OD1-CE2 3.24Å
268	L	97.9	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	I	π-helix	trans	-58.8	-45	170.7	-71.8	175.1	0	0	0	110.9	F260 I263 S264 V272 Q273 L288 A291 M292	F260-L268 HydrophobicContact CB-CD2 4.22Å; F260-L268 HydrophobicContact CD1-CD2 4.01Å; I263-L268 HydrophobicContact CB-CD2 3.84Å; I263-L268 HydrophobicContact CB-CG 4.08Å; I263-L268 HydrophobicContact CD1-CD2 4.26Å; I263-L268 HydrophobicContact CG2-CD2 3.9Å; I263-L268 HydrophobicContact CG2-CG 3.93Å; S264-L268 WeakPolarHBondContact O-CG 3.39Å; S264-L268 PolarHBondContact O-N 3.02Å; L268-V272 HydrophobicContact CD2-CB 4.26Å; L268-V272 HydrophobicContact CD2-CG2 3.97Å; L268-V272 WeakPolarHBondContact O-CA 3.45Å; L268-V272 WeakPolarHBondContact O-CB 3.47Å; L268-V272 PolarHBondContact O-N 3.42Å; L268-V272 VanDerWaalsContact O-N 3.12Å; L268-Q273 WeakPolarHBondContact O-CB 3.43Å; L268-Q273 PolarHBondContact O-N 2.88Å; L268-L288 HydrophobicContact CB-CD1 4.22Å; L268-L288 HydrophobicContact CD2-CD1 4.14Å; L268-A291 HydrophobicContact CD1-CB 3.85Å; L268-M292 HydrophobicContact CB-CE 3.48Å; L268-M292 VanDerWaalsContact CB-CE 3.48Å; L268-M292 HydrophobicContact CB-SD 4.17Å; L268-M292 HydrophobicContact CD1-CE 4.31Å; L268-M292 HydrophobicContact CD1-SD 3.96Å
269	V	97.3	Very high	96.1	Very high	67 Å²	67	47.9 Å²	47.9	41%	0.406	25%	0.254	S	S	.	.	I	π-helix	trans	-68.3	-46.3	177.2	176.4	0	0	0	0	111.3	A265 Q266 D267 M292	A265-V269 WeakPolarHBondContact O-CG2 3.5Å; A265-V269 PolarHBondContact O-N 3.47Å; Q266-V269 PolarHBondContact O-N 3.22Å; D267-V269 VanDerWaalsContact C-N 3.32Å; D267-V269 PolarHBondContact O-N 2.91Å; V269-M292 HydrophobicContact CG2-CE 3.63Å
270	N	96.5	Very high	96	Very high	75 Å²	75	54.8 Å²	54.8	40%	0.401	29%	0.287	S	S	.	.	I	π-helix	trans	-73.4	-33.6	-171.6	-70.2	-15.2	0	0	0	113.6	Q266 D267 T274	Q266-N270 WeakPolarHBondContact O-CB 3.44Å; Q266-N270 VanDerWaalsContact O-CG 3.22Å; Q266-N270 PolarHBondContact O-N 3.18Å; Q266-N270 PolarHBondContact O-ND2 3.33Å; D267-N270 PolarHBondContact O-N 3.07Å; N270-T274 VanDerWaalsContact O-CG2 3.28Å; N270-T274 WeakPolarHBondContact O-CG2 3.49Å; N270-T274 PolarHBondContact O-OG1 3.22Å
271	Y	96.8	Very high	95.9	Very high	117 Å²	117	56.9 Å²	56.9	46%	0.459	30%	0.298	S	S	.	.	I	π-helix	trans	-123.7	-29.4	-169	-55.7	-70.1	0	0	0	114.7	I231 D267 T274	I231-Y271 VanDerWaalsContact CD1-CB 3.48Å; I231-Y271 HydrophobicContact CD1-CG 4.27Å; I231-Y271 HydrophobicContact CG1-CD2 4.45Å; I231-Y271 HydrophobicContact CG1-CG 4.43Å; D267-Y271 HydrophobicContact CB-CD2 3.91Å; D267-Y271 HydrophobicContact CB-CE2 4.32Å; D267-Y271 WeakPolarHBondContact O-CB 3.34Å; D267-Y271 WeakPolarHBondContact O-CD2 3.35Å; D267-Y271 PolarHBondContact O-N 3.27Å; D267-Y271 WeakPolarHBondContact OD1-CE2 3.24Å; Y271-T274 PolarHBondContact O-OG1 2.94Å
272	V	97.8	Very high	96	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.327	C	S	.	.	I	π-helix	trans	-93	-49.3	-177.5	-179.4	0	0	0	0	110.8	I231 F234 F260 I263 L268 T274 V275 M278 L288	I231-V272 HydrophobicContact CD1-CG2 3.86Å; F234-V272 HydrophobicContact CD1-CG2 4.01Å; F234-V272 HydrophobicContact CE1-CB 4.28Å; F234-V272 HydrophobicContact CE1-CG1 4.33Å; F234-V272 HydrophobicContact CE1-CG2 4.04Å; F234-V272 HydrophobicContact CE2-CG1 4.14Å; F234-V272 HydrophobicContact CG-CG2 4.38Å; F234-V272 HydrophobicContact CZ-CB 4.37Å; F234-V272 HydrophobicContact CZ-CG1 3.94Å; F234-V272 HydrophobicContact CZ-CG2 4.45Å; F260-V272 HydrophobicContact CD1-CG1 4.01Å; F260-V272 HydrophobicContact CD1-CG2 4.27Å; F260-V272 HydrophobicContact CE1-CG1 3.55Å; F260-V272 HydrophobicContact CE1-CG2 4.11Å; F260-V272 HydrophobicContact CZ-CG1 4.41Å; I263-V272 HydrophobicContact CD1-CG2 4.24Å; L268-V272 HydrophobicContact CD2-CB 4.26Å; L268-V272 HydrophobicContact CD2-CG2 3.97Å; L268-V272 WeakPolarHBondContact O-CA 3.45Å; L268-V272 WeakPolarHBondContact O-CB 3.47Å; L268-V272 PolarHBondContact O-N 3.42Å; L268-V272 VanDerWaalsContact O-N 3.12Å; V272-T274 PolarHBondContact O-N 3.4Å; V272-V275 PolarHBondContact O-N 3.47Å; V272-M278 HydrophobicContact CG1-CE 3.77Å; V272-M278 HydrophobicContact CG1-CG 3.93Å; V272-M278 HydrophobicContact CG1-SD 4.36Å; V272-M278 WeakPolarHBondContact O-CB 3.44Å; V272-M278 WeakPolarHBondContact O-CG 3.46Å; V272-L288 HydrophobicContact CB-CD1 4.4Å; V272-L288 HydrophobicContact CG1-CD1 3.96Å
273	Q	96.9	Very high	96.2	Very high	79 Å²	79	64 Å²	64	37%	0.369	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.8	-179.1	-172.3	179.1	-25.1	0	0	112.8	L268 V275 M279 L288	L268-Q273 WeakPolarHBondContact O-CB 3.43Å; L268-Q273 PolarHBondContact O-N 2.88Å; Q273-V275 PolarHBondContact O-N 3.23Å; Q273-M279 HydrophobicContact CG-CG 4.47Å; Q273-M279 HydrophobicContact CG-SD 3.73Å; Q273-M279 WeakPolarHBondContact O-CG 3.29Å; Q273-L288 HydrophobicContact CB-CD2 3.96Å; Q273-L288 HydrophobicContact CG-CD2 4.09Å
274	T	96.9	Very high	96.2	Very high	94 Å²	94	63.7 Å²	63.7	58%	0.577	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.1	178.3	52	0	0	0	0	113.2	N270 Y271 V272 P276	N270-T274 VanDerWaalsContact O-CG2 3.28Å; N270-T274 WeakPolarHBondContact O-CG2 3.49Å; N270-T274 PolarHBondContact O-OG1 3.22Å; Y271-T274 PolarHBondContact O-OG1 2.94Å; V272-T274 PolarHBondContact O-N 3.4Å; T274-P276 WeakPolarHBondContact O-CD 3.16Å
275	V	96.6	Very high	96.4	Very high	23 Å²	23	65.3 Å²	65.3	14%	0.139	35%	0.347	C	S	.	.	S	Bend	trans	-75.3	117.6	176.6	178.7	0	0	0	0	109.4	F234 I238 V272 Q273 R277 M278	F234-V275 HydrophobicContact CE1-CG2 3.73Å; F234-V275 HydrophobicContact CZ-CB 4.09Å; F234-V275 HydrophobicContact CZ-CG1 4.45Å; F234-V275 HydrophobicContact CZ-CG2 3.72Å; I238-V275 HydrophobicContact CD1-CG1 4.06Å; V272-V275 PolarHBondContact O-N 3.47Å; Q273-V275 PolarHBondContact O-N 3.23Å; V275-R277 HydrophobicContact CG1-CB 4.16Å; V275-R277 PolarHBondContact O-N 3.43Å; V275-M278 HydrophobicContact CB-CG 4.12Å; V275-M278 HydrophobicContact CG1-CG 4.46Å; V275-M278 WeakPolarHBondContact O-CB 3.41Å; V275-M278 PolarHBondContact O-N 2.79Å
276	P	94.6	Very high	96.5	Very high	77 Å²	77	69.5 Å²	69.5	50%	0.5	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-34.7	-173.1	-28.8	35.3	0	0	0	114.1	T274 M278 M279 Q280	T274-P276 WeakPolarHBondContact O-CD 3.16Å; P276-M278 VanDerWaalsContact C-N 3.28Å; P276-M278 PolarHBondContact O-N 3.33Å; P276-M279 PolarHBondContact O-N 2.97Å; P276-Q280 WeakPolarHBondContact O-CB 3.28Å; P276-Q280 VanDerWaalsContact O-CG 3.29Å; P276-Q280 WeakPolarHBondContact O-CG 3.5Å; P276-Q280 PolarHBondContact O-N 3.28Å
277	R	92.3	Very high	96.6	Very high	81 Å²	81	63.9 Å²	63.9	31%	0.306	33%	0.332	S	S	.	.	H	α-helix	trans	-57.2	-39.4	177.3	-173.5	65.9	58.7	-161.6	-7.4	112.7	V248 A251 V275 M279 Q280 D281	V248-R277 VanDerWaalsContact CG1-NH1 3.31Å; V248-R277 VanDerWaalsContact CG1-NH2 3.34Å; A251-R277 HydrophobicContact CB-CG 4.34Å; V275-R277 HydrophobicContact CG1-CB 4.16Å; V275-R277 PolarHBondContact O-N 3.43Å; R277-M279 PolarHBondContact O-N 2.96Å; R277-Q280 PolarHBondContact O-N 3.16Å; R277-D281 HydrophobicContact CG-CB 4.39Å; R277-D281 WeakPolarHBondContact O-CB 3.38Å; R277-D281 PolarHBondContact O-N 3.19Å; R277-D281 VanDerWaalsContact O-N 3.08Å
278	M	96.9	Very high	96.7	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.4	-11.9	-179.6	-63	-57.8	-60.7	0	0	112.9	F234 L255 F260 V272 V275 P276 C284 H285 L288	F234-M278 HydrophobicContact CE2-CG 4.13Å; F234-M278 HydrophobicContact CE2-SD 3.89Å; F234-M278 HydrophobicContact CZ-CG 3.95Å; F234-M278 HydrophobicContact CZ-SD 4.33Å; L255-M278 HydrophobicContact CD1-SD 3.78Å; F260-M278 HydrophobicContact CE1-CE 4.27Å; F260-M278 HydrophobicContact CE2-CE 4.34Å; F260-M278 HydrophobicContact CZ-CE 3.88Å; F260-M278 HydrophobicContact CZ-SD 4.44Å; V272-M278 HydrophobicContact CG1-CE 3.77Å; V272-M278 HydrophobicContact CG1-CG 3.93Å; V272-M278 HydrophobicContact CG1-SD 4.36Å; V272-M278 WeakPolarHBondContact O-CB 3.44Å; V272-M278 WeakPolarHBondContact O-CG 3.46Å; V275-M278 HydrophobicContact CB-CG 4.12Å; V275-M278 HydrophobicContact CG1-CG 4.46Å; V275-M278 WeakPolarHBondContact O-CB 3.41Å; V275-M278 PolarHBondContact O-N 2.79Å; P276-M278 VanDerWaalsContact C-N 3.28Å; P276-M278 PolarHBondContact O-N 3.33Å; M278-C284 HydrophobicContact CE-CB 4.47Å; M278-C284 VanDerWaalsContact CE-O 3.24Å; M278-C284 WeakPolarHBondContact CE-O 3.39Å; M278-C284 HydrophobicContact SD-CB 3.98Å; M278-H285 WeakPolarHBondContact O-CA 3.42Å; M278-H285 WeakPolarHBondContact O-CB 3.28Å; M278-H285 PolarHBondContact O-ND1 3.37Å; M278-L288 HydrophobicContact CB-CD2 4.47Å; M278-L288 HydrophobicContact CE-CB 3.89Å
279	M	95.8	Very high	96.6	Very high	87 Å²	87	64.3 Å²	64.3	43%	0.429	34%	0.336	S	S	.	.	H	α-helix	trans	-112.4	-28	179.3	-61.3	-56.5	-64.8	0	0	113	Q273 P276 R277 L288	Q273-M279 HydrophobicContact CG-CG 4.47Å; Q273-M279 HydrophobicContact CG-SD 3.73Å; Q273-M279 WeakPolarHBondContact O-CG 3.29Å; P276-M279 PolarHBondContact O-N 2.97Å; R277-M279 PolarHBondContact O-N 2.96Å; M279-L288 HydrophobicContact SD-CD2 4.13Å
280	Q	93.8	Very high	96.6	Very high	149 Å²	149	63.9 Å²	63.9	70%	0.696	33%	0.331	S	S	*	.	H	α-helix	trans	-94.2	-31.9	-175	-67.3	172.9	4.8	0	0	113.3	P276 R277	P276-Q280 WeakPolarHBondContact O-CB 3.28Å; P276-Q280 VanDerWaalsContact O-CG 3.29Å; P276-Q280 WeakPolarHBondContact O-CG 3.5Å; P276-Q280 PolarHBondContact O-N 3.28Å; R277-Q280 PolarHBondContact O-N 3.16Å
281	D	96.2	Very high	96.6	Very high	45 Å²	45	60.5 Å²	60.5	24%	0.241	31%	0.314	C	S	.	.	S	Bend	trans	-90.8	125.9	177.8	-177	-79.5	0	0	0	110.1	R277 D283 C284 H285	R277-D281 HydrophobicContact CG-CB 4.39Å; R277-D281 WeakPolarHBondContact O-CB 3.38Å; R277-D281 PolarHBondContact O-N 3.19Å; R277-D281 VanDerWaalsContact O-N 3.08Å; D281-D283 VanDerWaalsContact C-N 3.35Å; D281-D283 PolarHBondContact O-N 2.8Å; D281-D283 PolarHBondContact OD1-N 2.91Å; D281-D283 VanDerWaalsContact OD1-N 3.08Å; D281-C284 HydrophobicContact CB-CB 4Å; D281-C284 PolarHBondContact OD1-N 2.84Å; D281-C284 PolarHBondContact OD1-SG 3.06Å; D281-H285 WeakPolarHBondContact O-CB 3.35Å; D281-H285 PolarHBondContact O-N 3.41Å
282	A	97.3	Very high	96.6	Very high	79 Å²	79	56.7 Å²	56.7	65%	0.653	30%	0.301	S	S	*	.	H	α-helix	trans	-64.4	-38.3	-172.1	0	0	0	0	0	112.8	K286	A282-K286 PolarHBondContact O-N 2.69Å
283	D	97.8	Very high	96.5	Very high	102 Å²	102	60.1 Å²	60.1	55%	0.545	32%	0.319	S	S	.	.	H	α-helix	trans	-76.2	-41.9	-177.9	-68.3	-46.2	0	0	0	110.8	A252 D281 H285 K286 L287	A252-D283 HydrophobicContact CB-CB 3.6Å; D281-D283 VanDerWaalsContact C-N 3.35Å; D281-D283 PolarHBondContact O-N 2.8Å; D281-D283 PolarHBondContact OD1-N 2.91Å; D281-D283 VanDerWaalsContact OD1-N 3.08Å; D283-H285 VanDerWaalsContact C-N 3.33Å; D283-H285 PolarHBondContact O-N 3Å; D283-K286 WeakPolarHBondContact O-CB 3.4Å; D283-K286 PolarHBondContact O-N 3.14Å; D283-L287 PolarHBondContact O-N 3.19Å
284	C	97.9	Very high	96.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-41.8	171.3	-66.7	0	0	0	0	111.9	M278 D281 K286 L287 L288	M278-C284 HydrophobicContact CE-CB 4.47Å; M278-C284 VanDerWaalsContact CE-O 3.24Å; M278-C284 WeakPolarHBondContact CE-O 3.39Å; M278-C284 HydrophobicContact SD-CB 3.98Å; D281-C284 HydrophobicContact CB-CB 4Å; D281-C284 PolarHBondContact OD1-N 2.84Å; D281-C284 PolarHBondContact OD1-SG 3.06Å; C284-K286 VanDerWaalsContact C-N 3.3Å; C284-K286 PolarHBondContact O-N 2.96Å; C284-L287 WeakPolarHBondContact O-CB 3.03Å; C284-L287 PolarHBondContact O-N 2.78Å; C284-L287 VanDerWaalsContact O-N 3.14Å; C284-L288 PolarHBondContact O-N 2.67Å
285	H	98.1	Very high	96.3	Very high	67 Å²	67	54 Å²	54	31%	0.31	28%	0.284	S	S	.	.	H	α-helix	trans	-62.1	-39.3	177.8	-170.7	63.3	0	0	0	111.9	M278 D281 D283 L287 L288 V289	M278-H285 WeakPolarHBondContact O-CA 3.42Å; M278-H285 WeakPolarHBondContact O-CB 3.28Å; M278-H285 PolarHBondContact O-ND1 3.37Å; D281-H285 WeakPolarHBondContact O-CB 3.35Å; D281-H285 PolarHBondContact O-N 3.41Å; D283-H285 VanDerWaalsContact C-N 3.33Å; D283-H285 PolarHBondContact O-N 3Å; H285-L287 VanDerWaalsContact C-N 3.3Å; H285-L287 PolarHBondContact O-N 3.42Å; H285-L288 WeakPolarHBondContact O-CB 3.47Å; H285-L288 PolarHBondContact O-N 3.42Å; H285-L288 VanDerWaalsContact O-N 3.16Å; H285-V289 WeakPolarHBondContact O-CG2 3.36Å; H285-V289 PolarHBondContact O-N 2.89Å
286	K	97.9	Very high	96.1	Very high	129 Å²	129	59 Å²	59	56%	0.561	31%	0.309	S	S	*	.	H	α-helix	trans	-58.6	-40.1	173.7	-174.3	-178.4	177.9	-177.7	0	112.2	A282 D283 C284 L288 V289 D290	A282-K286 PolarHBondContact O-N 2.69Å; D283-K286 WeakPolarHBondContact O-CB 3.4Å; D283-K286 PolarHBondContact O-N 3.14Å; C284-K286 VanDerWaalsContact C-N 3.3Å; C284-K286 PolarHBondContact O-N 2.96Å; K286-L288 VanDerWaalsContact C-N 3.31Å; K286-L288 PolarHBondContact O-N 2.87Å; K286-V289 PolarHBondContact O-N 2.94Å; K286-D290 WeakPolarHBondContact O-CB 3.3Å; K286-D290 VanDerWaalsContact O-CG 3.25Å; K286-D290 PolarHBondContact O-N 2.93Å
287	L	97.7	Very high	96	Very high	20 Å²	20	58.9 Å²	58.9	11%	0.105	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-41.7	176.3	-59.4	173.6	0	0	0	112	L255 F260 D283 C284 H285 A291	L255-L287 HydrophobicContact CB-CD1 3.97Å; F260-L287 HydrophobicContact CD2-CB 4.03Å; F260-L287 HydrophobicContact CE2-CB 3.97Å; F260-L287 HydrophobicContact CE2-CD1 4.08Å; D283-L287 PolarHBondContact O-N 3.19Å; C284-L287 WeakPolarHBondContact O-CB 3.03Å; C284-L287 PolarHBondContact O-N 2.78Å; C284-L287 VanDerWaalsContact O-N 3.14Å; H285-L287 VanDerWaalsContact C-N 3.3Å; H285-L287 PolarHBondContact O-N 3.42Å; L287-A291 PolarHBondContact O-N 2.84Å
288	L	97.4	Very high	95.8	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-67.5	-45.8	177	179.9	60.2	0	0	0	111.6	L268 V272 Q273 M278 M279 C284 H285 K286 D290 A291 M292	L268-L288 HydrophobicContact CB-CD1 4.22Å; L268-L288 HydrophobicContact CD2-CD1 4.14Å; V272-L288 HydrophobicContact CB-CD1 4.4Å; V272-L288 HydrophobicContact CG1-CD1 3.96Å; Q273-L288 HydrophobicContact CB-CD2 3.96Å; Q273-L288 HydrophobicContact CG-CD2 4.09Å; M278-L288 HydrophobicContact CB-CD2 4.47Å; M278-L288 HydrophobicContact CE-CB 3.89Å; M279-L288 HydrophobicContact SD-CD2 4.13Å; C284-L288 PolarHBondContact O-N 2.67Å; H285-L288 WeakPolarHBondContact O-CB 3.47Å; H285-L288 PolarHBondContact O-N 3.42Å; H285-L288 VanDerWaalsContact O-N 3.16Å; K286-L288 VanDerWaalsContact C-N 3.31Å; K286-L288 PolarHBondContact O-N 2.87Å; L288-D290 PolarHBondContact O-N 3.27Å; L288-A291 PolarHBondContact O-N 2.71Å; L288-M292 HydrophobicContact CD1-CE 4Å; L288-M292 HydrophobicContact CD1-CG 4.42Å; L288-M292 WeakPolarHBondContact O-CG 3.47Å; L288-M292 PolarHBondContact O-N 2.8Å
289	V	96.9	Very high	95.4	Very high	55 Å²	55	61.5 Å²	61.5	33%	0.333	32%	0.319	S	S	.	.	H	α-helix	trans	-61.6	-43.3	178.8	171.2	0	0	0	0	111.3	H285 K286 A291 M292 N293	H285-V289 WeakPolarHBondContact O-CG2 3.36Å; H285-V289 PolarHBondContact O-N 2.89Å; K286-V289 PolarHBondContact O-N 2.94Å; V289-A291 VanDerWaalsContact C-N 3.29Å; V289-A291 PolarHBondContact O-N 2.79Å; V289-M292 PolarHBondContact O-N 2.89Å; V289-N293 WeakPolarHBondContact O-CB 3.36Å; V289-N293 VanDerWaalsContact O-CG 3.29Å; V289-N293 PolarHBondContact O-N 2.56Å; V289-N293 PolarHBondContact O-ND2 3.5Å
290	D	96.3	Very high	95.1	Very high	57 Å²	57	61.1 Å²	61.1	31%	0.305	32%	0.316	S	S	.	.	H	α-helix	trans	-57.1	-44.3	175.2	-75.1	-10.5	0	0	0	111.5	K286 L288 N293 Y294 R308	K286-D290 WeakPolarHBondContact O-CB 3.3Å; K286-D290 VanDerWaalsContact O-CG 3.25Å; K286-D290 PolarHBondContact O-N 2.93Å; L288-D290 PolarHBondContact O-N 3.27Å; D290-N293 PolarHBondContact O-N 3.35Å; D290-Y294 WeakPolarHBondContact O-CB 3.49Å; D290-Y294 PolarHBondContact O-N 2.69Å; D290-R308 IonicContact OD2-CZ 3.71Å; D290-R308 IonicContact OD2-NH1 2.87Å; D290-R308 IonicContact OD2-NH2 3.59Å; D290-R308 PolarHBondContact OD2-NH2 2.87Å
291	A	96.9	Very high	95.1	Very high	4 Å²	4	54.5 Å²	54.5	3%	0.033	29%	0.285	C	S	.	.	H	α-helix	trans	-66.4	-44.7	178.2	0	0	0	0	0	111.9	F260 L268 L287 L288 V289 N293 Y294 H295	F260-A291 HydrophobicContact CB-CB 3.55Å; L268-A291 HydrophobicContact CD1-CB 3.85Å; L287-A291 PolarHBondContact O-N 2.84Å; L288-A291 PolarHBondContact O-N 2.71Å; V289-A291 VanDerWaalsContact C-N 3.29Å; V289-A291 PolarHBondContact O-N 2.79Å; A291-N293 VanDerWaalsContact C-N 3.34Å; A291-N293 PolarHBondContact O-N 2.86Å; A291-Y294 WeakPolarHBondContact O-CB 3.48Å; A291-Y294 PolarHBondContact O-N 3.27Å; A291-Y294 VanDerWaalsContact O-N 3.16Å; A291-H295 PolarHBondContact O-CD2 3.36Å; A291-H295 PolarHBondContact O-N 2.88Å; A291-H295 VanDerWaalsContact O-N 3.17Å
292	M	96.1	Very high	94.9	Very high	38 Å²	38	53 Å²	53	19%	0.187	28%	0.277	C	S	.	.	H	α-helix	trans	-59.8	-44.6	175.3	-68.8	-61.7	-170.5	0	0	111.6	L268 V269 L288 V289 Y294 H295 L296	L268-M292 HydrophobicContact CB-CE 3.48Å; L268-M292 VanDerWaalsContact CB-CE 3.48Å; L268-M292 HydrophobicContact CB-SD 4.17Å; L268-M292 HydrophobicContact CD1-CE 4.31Å; L268-M292 HydrophobicContact CD1-SD 3.96Å; V269-M292 HydrophobicContact CG2-CE 3.63Å; L288-M292 HydrophobicContact CD1-CE 4Å; L288-M292 HydrophobicContact CD1-CG 4.42Å; L288-M292 WeakPolarHBondContact O-CG 3.47Å; L288-M292 PolarHBondContact O-N 2.8Å; V289-M292 PolarHBondContact O-N 2.89Å; M292-Y294 VanDerWaalsContact C-N 3.29Å; M292-Y294 PolarHBondContact O-N 2.87Å; M292-H295 PolarHBondContact O-N 2.88Å; M292-H295 VanDerWaalsContact O-N 3.09Å; M292-L296 WeakPolarHBondContact O-CG 3.39Å; M292-L296 PolarHBondContact O-N 2.99Å
293	N	95.6	Very high	94.5	Very high	71 Å²	71	53.5 Å²	53.5	38%	0.38	27%	0.272	S	S	.	.	H	α-helix	trans	-60.3	-39.3	175.4	-74.7	-25	0	0	0	112	V289 D290 A291 H295 L296 L297	V289-N293 WeakPolarHBondContact O-CB 3.36Å; V289-N293 VanDerWaalsContact O-CG 3.29Å; V289-N293 PolarHBondContact O-N 2.56Å; V289-N293 PolarHBondContact O-ND2 3.5Å; D290-N293 PolarHBondContact O-N 3.35Å; A291-N293 VanDerWaalsContact C-N 3.34Å; A291-N293 PolarHBondContact O-N 2.86Å; N293-H295 VanDerWaalsContact C-N 3.27Å; N293-H295 PolarHBondContact O-N 3.3Å; N293-L296 PolarHBondContact O-N 3.12Å; N293-L297 WeakPolarHBondContact O-CB 3.28Å; N293-L297 WeakPolarHBondContact O-CG 3.31Å; N293-L297 PolarHBondContact O-N 3.09Å
294	Y	95.2	Very high	94.3	Very high	5 Å²	5	52 Å²	52	2%	0.02	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-35.8	174.9	-175.6	-92.9	0	0	0	112.4	D290 A291 M292 Q301 L304 Q305 T309 R395	D290-Y294 WeakPolarHBondContact O-CB 3.49Å; D290-Y294 PolarHBondContact O-N 2.69Å; A291-Y294 WeakPolarHBondContact O-CB 3.48Å; A291-Y294 PolarHBondContact O-N 3.27Å; A291-Y294 VanDerWaalsContact O-N 3.16Å; M292-Y294 VanDerWaalsContact C-N 3.29Å; M292-Y294 PolarHBondContact O-N 2.87Å; Y294-Q301 HydrophobicContact CD1-CG 4.2Å; Y294-Q301 HydrophobicContact CD2-CB 4.39Å; Y294-Q301 HydrophobicContact CD2-CG 4.01Å; Y294-Q301 HydrophobicContact CE1-CG 3.91Å; Y294-Q301 HydrophobicContact CE2-CB 3.7Å; Y294-Q301 HydrophobicContact CE2-CG 3.71Å; Y294-Q301 HydrophobicContact CG-CG 4.24Å; Y294-Q301 VanDerWaalsContact O-CG 3.23Å; Y294-Q301 WeakPolarHBondContact O-CG 3.39Å; Y294-Q301 PolarHBondContact O-NE2 2.92Å; Y294-L304 HydrophobicContact CD2-CB 3.76Å; Y294-L304 HydrophobicContact CD2-CD1 4.29Å; Y294-L304 HydrophobicContact CE2-CB 4.18Å; Y294-Q305 PolarHBondContact OH-NE2 2.99Å; Y294-T309 HydrophobicContact CD2-CG2 3.73Å; Y294-T309 HydrophobicContact CE2-CG2 3.55Å; Y294-T309 HydrophobicContact CG-CG2 4.32Å; Y294-R395 PolarHBondContact OH-NH1 3.17Å; Y294-R395 PolarHBondContact OH-NH2 3.33Å
295	H	94.5	Very high	94	Very high	40 Å²	40	54 Å²	54	19%	0.185	27%	0.273	C	S	.	.	H	α-helix	trans	-77.4	-37.3	174.7	-68.2	-68.5	0	0	0	113.5	I263 A265 A291 M292 N293 L297 F396	I263-H295 PolarHBondContact O-CE1 3.21Å; I263-H295 PolarHBondContact O-NE2 3.39Å; A265-H295 HydrophobicContact CB-CB 4.17Å; A291-H295 PolarHBondContact O-CD2 3.36Å; A291-H295 PolarHBondContact O-N 2.88Å; A291-H295 VanDerWaalsContact O-N 3.17Å; M292-H295 PolarHBondContact O-N 2.88Å; M292-H295 VanDerWaalsContact O-N 3.09Å; N293-H295 VanDerWaalsContact C-N 3.27Å; N293-H295 PolarHBondContact O-N 3.3Å; H295-L297 VanDerWaalsContact C-N 3.27Å; H295-L297 PolarHBondContact O-N 3.23Å; H295-F396 AromaticContact CE1-CE2 3.96Å; H295-F396 AromaticContact CE1-CZ 3.57Å
296	L	94	Very high	93.8	Very high	128 Å²	128	53.1 Å²	53.1	67%	0.67	27%	0.274	S	S	*	.	H	α-helix	trans	-71	-21.5	-179.5	-69.7	171.7	0	0	0	113.2	M292 N293 P298	M292-L296 WeakPolarHBondContact O-CG 3.39Å; M292-L296 PolarHBondContact O-N 2.99Å; N293-L296 PolarHBondContact O-N 3.12Å; L296-P298 VanDerWaalsContact C-CD 3.4Å; L296-P298 WeakPolarHBondContact O-CD 3.43Å
297	L	92.3	Very high	93.5	Very high	74 Å²	74	50.9 Å²	50.9	39%	0.387	26%	0.262	S	S	.	.			trans	-117.7	65.8	-175.2	-58	172.4	0	0	0	112.3	N293 H295 Y299 H300 Q301	N293-L297 WeakPolarHBondContact O-CB 3.28Å; N293-L297 WeakPolarHBondContact O-CG 3.31Å; N293-L297 PolarHBondContact O-N 3.09Å; H295-L297 VanDerWaalsContact C-N 3.27Å; H295-L297 PolarHBondContact O-N 3.23Å; L297-Y299 VanDerWaalsContact C-N 3.26Å; L297-Y299 PolarHBondContact O-N 2.94Å; L297-Y299 VanDerWaalsContact O-N 3.13Å; L297-H300 HydrophobicContact CB-CB 4.01Å; L297-H300 PolarHBondContact O-N 2.83Å; L297-Q301 PolarHBondContact O-N 3.48Å
298	P	88.2	Confident	93.3	Very high	38 Å²	38	53 Å²	53	25%	0.247	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.2	-173	21.9	-33.6	0	0	0	114	L296 Q301 R391 I400	L296-P298 VanDerWaalsContact C-CD 3.4Å; L296-P298 WeakPolarHBondContact O-CD 3.43Å; P298-Q301 WeakPolarHBondContact O-CB 3.29Å; P298-Q301 PolarHBondContact O-OE1 2.82Å; P298-R391 PolarHBondContact O-NH1 2.98Å; P298-R391 PolarHBondContact O-NH2 2.95Å; P298-I400 HydrophobicContact CB-CD1 4.38Å
299	Y	87.8	Confident	93.1	Very high	98 Å²	98	53.1 Å²	53.1	38%	0.384	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-25.1	178.6	-50.4	-62.9	0	0	0	113.1	L297 I400 L402 P441 N444	L297-Y299 VanDerWaalsContact C-N 3.26Å; L297-Y299 PolarHBondContact O-N 2.94Å; L297-Y299 VanDerWaalsContact O-N 3.13Å; Y299-I400 HydrophobicContact CE1-CD1 4.39Å; Y299-L402 HydrophobicContact CD1-CD2 3.79Å; Y299-L402 HydrophobicContact CE1-CD2 3.79Å; Y299-P441 CarbonylContact O-C 3.51Å; Y299-P441 VanDerWaalsContact O-O 3.05Å; Y299-N444 HydrophobicContact CD1-CB 4.06Å; Y299-N444 HydrophobicContact CG-CB 4.23Å
300	H	89.4	Confident	92.9	Very high	79 Å²	79	58.1 Å²	58.1	37%	0.366	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-5	177.3	-65.8	-168.6	0	0	0	112.7	L297 N302 T303 L304 A442	L297-H300 HydrophobicContact CB-CB 4.01Å; L297-H300 PolarHBondContact O-N 2.83Å; H300-N302 PolarHBondContact O-N 2.79Å; H300-N302 VanDerWaalsContact O-N 3.09Å; H300-T303 WeakPolarHBondContact O-CA 3.44Å; H300-T303 PolarHBondContact O-N 2.93Å; H300-T303 PolarHBondContact O-OG1 2.98Å; H300-L304 HydrophobicContact CB-CD1 4.24Å; H300-L304 HydrophobicContact CB-CG 4.46Å; H300-L304 WeakPolarHBondContact O-CG 3.32Å; H300-L304 PolarHBondContact O-N 3.07Å; H300-A442 PolarHBondContact CD2-O 3.22Å; H300-A442 PolarHBondContact NE2-O 3.33Å
301	Q	93.9	Very high	92.7	Very high	11 Å²	11	57.1 Å²	57.1	5%	0.051	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-34.5	-179.1	-74.6	178.2	-27.2	0	0	113.1	Y294 L297 P298 T303 L304 Q305 F366	Y294-Q301 HydrophobicContact CD1-CG 4.2Å; Y294-Q301 HydrophobicContact CD2-CB 4.39Å; Y294-Q301 HydrophobicContact CD2-CG 4.01Å; Y294-Q301 HydrophobicContact CE1-CG 3.91Å; Y294-Q301 HydrophobicContact CE2-CB 3.7Å; Y294-Q301 HydrophobicContact CE2-CG 3.71Å; Y294-Q301 HydrophobicContact CG-CG 4.24Å; Y294-Q301 VanDerWaalsContact O-CG 3.23Å; Y294-Q301 WeakPolarHBondContact O-CG 3.39Å; Y294-Q301 PolarHBondContact O-NE2 2.92Å; L297-Q301 PolarHBondContact O-N 3.48Å; P298-Q301 WeakPolarHBondContact O-CB 3.29Å; P298-Q301 PolarHBondContact O-OE1 2.82Å; Q301-T303 VanDerWaalsContact C-N 3.32Å; Q301-T303 PolarHBondContact O-N 3.2Å; Q301-L304 PolarHBondContact O-N 2.96Å; Q301-Q305 PolarHBondContact O-N 2.78Å; Q301-Q305 PolarHBondContact O-NE2 3.15Å; Q301-F366 HydrophobicContact CB-CE2 4.17Å; Q301-F366 HydrophobicContact CB-CZ 3.77Å; Q301-F366 VanDerWaalsContact OE1-CZ 3.32Å
302	N	91.5	Very high	92.5	Very high	14 Å²	14	57.7 Å²	57.7	8%	0.075	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-37.7	174.3	-68.1	85.1	0	0	0	112.6	H300 Q305 D364 Y368 R391 P441	H300-N302 PolarHBondContact O-N 2.79Å; H300-N302 VanDerWaalsContact O-N 3.09Å; N302-Q305 WeakPolarHBondContact O-CG 3.15Å; N302-D364 WeakPolarHBondContact CB-OD2 2.92Å; N302-D364 PolarHBondContact ND2-OD2 2.88Å; N302-Y368 VanDerWaalsContact CG-OH 3.27Å; N302-Y368 PolarHBondContact ND2-OH 2.88Å; N302-Y368 PolarHBondContact OD1-OH 2.8Å; N302-R391 PolarHBondContact OD1-NH1 2.87Å; N302-P441 HydrophobicContact CB-CB 3.76Å; N302-P441 HydrophobicContact CB-CG 4.18Å
303	T	90	Very high	92.1	Very high	89 Å²	89	56.2 Å²	56.2	55%	0.546	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-21.2	176.4	60.4	0	0	0	0	113.5	H300 Q301 Q305 A442	H300-T303 WeakPolarHBondContact O-CA 3.44Å; H300-T303 PolarHBondContact O-N 2.93Å; H300-T303 PolarHBondContact O-OG1 2.98Å; Q301-T303 VanDerWaalsContact C-N 3.32Å; Q301-T303 PolarHBondContact O-N 3.2Å; T303-Q305 VanDerWaalsContact C-N 3.32Å; T303-A442 HydrophobicContact CG2-CB 4.01Å
304	L	92.3	Very high	91.6	Very high	71 Å²	71	54.2 Å²	54.2	37%	0.372	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	12.7	-179.2	-62.8	174.3	0	0	0	112.8	Y294 H300 Q301 S306	Y294-L304 HydrophobicContact CD2-CB 3.76Å; Y294-L304 HydrophobicContact CD2-CD1 4.29Å; Y294-L304 HydrophobicContact CE2-CB 4.18Å; H300-L304 HydrophobicContact CB-CD1 4.24Å; H300-L304 HydrophobicContact CB-CG 4.46Å; H300-L304 WeakPolarHBondContact O-CG 3.32Å; H300-L304 PolarHBondContact O-N 3.07Å; Q301-L304 PolarHBondContact O-N 2.96Å; L304-S306 PolarHBondContact O-N 2.8Å
305	Q	92.2	Very high	91.3	Very high	41 Å²	41	56.7 Å²	56.7	19%	0.192	28%	0.28	C	S	.	.			trans	-64.9	136.4	-179.5	-71.1	-54.1	-51	0	0	112.2	Y294 Q301 N302 T303 T309 D364	Y294-Q305 PolarHBondContact OH-NE2 2.99Å; Q301-Q305 PolarHBondContact O-N 2.78Å; Q301-Q305 PolarHBondContact O-NE2 3.15Å; N302-Q305 WeakPolarHBondContact O-CG 3.15Å; T303-Q305 VanDerWaalsContact C-N 3.32Å; Q305-T309 WeakPolarHBondContact CA-OG1 3.28Å; Q305-T309 PolarHBondContact OE1-OG1 2.68Å; Q305-D364 HydrophobicContact CG-CB 3.59Å
306	S	92.8	Very high	91.1	Very high	48 Å²	48	61 Å²	61	34%	0.336	29%	0.294	S	S	.	.			trans	-151.5	-179.5	171.2	67.3	0	0	0	0	109.6	L304 R308 T309	L304-S306 PolarHBondContact O-N 2.8Å; S306-R308 PolarHBondContact O-N 3.36Å; S306-R308 PolarHBondContact OG-N 3.35Å; S306-T309 PolarHBondContact N-OG1 3.16Å; S306-T309 PolarHBondContact O-N 3.35Å; S306-T309 VanDerWaalsContact O-N 3.16Å; S306-T309 PolarHBondContact O-OG1 2.97Å
307	R	92.8	Very high	91.2	Very high	82 Å²	82	55 Å²	55	31%	0.309	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-53.4	-34.9	169.2	-175	178.1	172.1	-96.6	-19.8	111.8	A221 D223 N257 T309 R310	A221-R307 VanDerWaalsContact O-CZ 3.3Å; A221-R307 PolarHBondContact O-NH2 2.85Å; D223-R307 IonicContact OD1-CZ 3.92Å; D223-R307 IonicContact OD1-NE 3.79Å; D223-R307 PolarHBondContact OD1-NE 3.17Å; D223-R307 IonicContact OD1-NH2 3.98Å; D223-R307 PolarHBondContact OD1-NH2 2.94Å; D223-R307 IonicContact OD2-NE 2.7Å; N257-R307 PolarHBondContact OD1-NH1 3.06Å; R307-T309 VanDerWaalsContact C-N 3.26Å; R307-T309 PolarHBondContact O-N 3.03Å; R307-R310 PolarHBondContact O-N 3.39Å
308	R	93.4	Very high	91.3	Very high	65 Å²	65	51.5 Å²	51.5	25%	0.245	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-74.7	-5.3	-177.9	-61	-171.8	-65.6	144.9	-5	115	G256 R259 D290 S306	G256-R308 WeakPolarHBondContact O-CD 3.45Å; R259-R308 CarbonylContact C-O 3.58Å; R259-R308 VanDerWaalsContact CA-O 3.28Å; R259-R308 WeakPolarHBondContact CA-O 3.38Å; R259-R308 VanDerWaalsContact CB-O 3.29Å; R259-R308 WeakPolarHBondContact CB-O 3.39Å; D290-R308 IonicContact OD2-CZ 3.71Å; D290-R308 IonicContact OD2-NH1 2.87Å; D290-R308 IonicContact OD2-NH2 3.59Å; D290-R308 PolarHBondContact OD2-NH2 2.87Å; S306-R308 PolarHBondContact O-N 3.36Å; S306-R308 PolarHBondContact OG-N 3.35Å
309	T	93.6	Very high	91.8	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.043	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-110.3	-2.7	178.2	59.3	0	0	0	0	112.8	T262 Y294 Q305 S306 R307 R395	T262-T309 WeakPolarHBondContact CG2-O 3.32Å; Y294-T309 HydrophobicContact CD2-CG2 3.73Å; Y294-T309 HydrophobicContact CE2-CG2 3.55Å; Y294-T309 HydrophobicContact CG-CG2 4.32Å; Q305-T309 WeakPolarHBondContact CA-OG1 3.28Å; Q305-T309 PolarHBondContact OE1-OG1 2.68Å; S306-T309 PolarHBondContact N-OG1 3.16Å; S306-T309 PolarHBondContact O-N 3.35Å; S306-T309 VanDerWaalsContact O-N 3.16Å; S306-T309 PolarHBondContact O-OG1 2.97Å; R307-T309 VanDerWaalsContact C-N 3.26Å; R307-T309 PolarHBondContact O-N 3.03Å; T309-R395 PolarHBondContact O-NH1 3.25Å
310	R	92.5	Very high	92.2	Very high	161 Å²	161	45.3 Å²	45.3	61%	0.608	22%	0.216	S	C	*	.	S	Bend	trans	-90.5	151.7	-179.4	-66.9	178.6	178.6	-170.8	-0.9	111.5	R259 R307 R312	R259-R310 WeakPolarHBondContact CD-O 3.37Å; R259-R310 VanDerWaalsContact NH1-C 3.31Å; R259-R310 PolarHBondContact NH1-O 2.91Å; R307-R310 PolarHBondContact O-N 3.39Å; R310-R312 PolarHBondContact O-N 3.16Å
311	I	92.2	Very high	92.6	Very high	35 Å²	35	41.6 Å²	41.6	18%	0.179	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-68	128.3	174.8	-64.5	162.9	0	0	0	109.7	R259 P394 R395 S613 P615	R259-I311 PolarHBondContact NH1-O 3.17Å; I311-P394 HydrophobicContact CD1-CG 4.29Å; I311-R395 HydrophobicContact CD1-CG 3.74Å; I311-R395 HydrophobicContact CG1-CG 3.54Å; I311-S613 WeakPolarHBondContact CD1-O 3.49Å; I311-P615 HydrophobicContact CD1-CG 4.03Å; I311-P615 HydrophobicContact CG1-CG 4.42Å; I311-P615 HydrophobicContact CG2-CB 4.4Å; I311-P615 HydrophobicContact CG2-CG 4.43Å
312	R	91.7	Very high	92.6	Very high	17 Å²	17	41.3 Å²	41.3	6%	0.064	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	139.2	174.4	-175.3	-174.7	-94.1	134.1	6.8	109.3	L220 D222 L225 E230 N257 R259 R310 G314	L220-R312 PolarHBondContact O-NH2 3.48Å; D222-R312 PolarHBondContact O-NE 3.47Å; L225-R312 HydrophobicContact CB-CG 4.48Å; L225-R312 WeakPolarHBondContact O-CG 3.41Å; E230-R312 WeakPolarHBondContact OE1-CB 3.41Å; E230-R312 WeakPolarHBondContact OE1-CD 2.92Å; E230-R312 IonicContact OE1-CZ 2.67Å; E230-R312 IonicContact OE1-NE 2.77Å; E230-R312 IonicContact OE1-NH1 3.51Å; E230-R312 PolarHBondContact OE1-NH1 3.44Å; E230-R312 IonicContact OE2-CZ 2.71Å; E230-R312 IonicContact OE2-NH1 3.17Å; E230-R312 PolarHBondContact OE2-NH1 2.69Å; N257-R312 PolarHBondContact O-NH2 3.46Å; R259-R312 VanDerWaalsContact CZ-CA 3.49Å; R259-R312 VanDerWaalsContact CZ-CB 3.42Å; R310-R312 PolarHBondContact O-N 3.16Å; R312-G314 PolarHBondContact O-N 3.28Å
313	G	87.3	Confident	92.7	Very high	6 Å²	6	40.7 Å²	40.7	6%	0.062	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	20.7	-179.8	0	0	0	0	0	113.4	D223	D223-G313 PolarHBondContact O-N 2.86Å
314	G	86.6	Confident	92.8	Very high	29 Å²	29	39.3 Å²	39.3	30%	0.299	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-72.6	141.7	-177.7	0	0	0	0	0	111	R312 M614	R312-G314 PolarHBondContact O-N 3.28Å; G314-M614 CarbonylContact C-O 3.52Å; G314-M614 WeakPolarHBondContact CA-O 3.33Å
315	F	87.3	Confident	92.7	Very high	58 Å²	58	36.5 Å²	36.5	25%	0.254	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.5	177.1	66.8	-74.5	0	0	0	110.1	V317 Y338 M614 P615 N616	F315-V317 HydrophobicContact CD2-CG1 3.3Å; F315-V317 HydrophobicContact CE2-CG1 3.2Å; F315-V317 HydrophobicContact CG-CG1 4.44Å; F315-V317 HydrophobicContact CZ-CG1 4.26Å; F315-Y338 HydrophobicContact CE2-CE2 4.47Å; F315-Y338 HydrophobicContact CZ-CE2 4.44Å; F315-M614 HydrophobicContact CE1-CB 4.18Å; F315-M614 HydrophobicContact CZ-CB 4.32Å; F315-M614 PolarHBondContact N-O 2.96Å; F315-M614 VanDerWaalsContact N-O 3.09Å; F315-M614 PolarHBondContact O-N 3.06Å; F315-P615 WeakPolarHBondContact CE1-O 3.36Å; F315-N616 HydrophobicContact CD1-CB 4.27Å
316	R	92.3	Very high	92.4	Very high	130 Å²	130	36.7 Å²	36.7	49%	0.491	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	129.1	179.5	-65.7	-177.8	69.3	-172.6	1.1	109.5	L563 T611 I612	R316-L563 HydrophobicContact CB-CD1 3.78Å; R316-T611 HydrophobicContact CB-CG2 4.25Å; R316-I612 WeakPolarHBondContact CA-O 3.34Å
317	V	94.2	Very high	91.7	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.6	-177.4	-67.2	0	0	0	0	111.7	F315 V319 Y338 T611 I612 M614	F315-V317 HydrophobicContact CD2-CG1 3.3Å; F315-V317 HydrophobicContact CE2-CG1 3.2Å; F315-V317 HydrophobicContact CG-CG1 4.44Å; F315-V317 HydrophobicContact CZ-CG1 4.26Å; V317-V319 HydrophobicContact CG2-CG2 4.03Å; V317-Y338 HydrophobicContact CB-CD2 4.31Å; V317-Y338 HydrophobicContact CG1-CD2 4.13Å; V317-Y338 HydrophobicContact CG2-CD2 4.28Å; V317-T611 VanDerWaalsContact O-CA 3.32Å; V317-T611 WeakPolarHBondContact O-CA 3.47Å; V317-I612 HydrophobicContact CG2-CG2 4.25Å; V317-I612 PolarHBondContact N-O 2.64Å; V317-I612 PolarHBondContact O-N 2.78Å; V317-M614 HydrophobicContact CG2-CB 4.44Å; V317-M614 HydrophobicContact CG2-CG 3.51Å
318	L	96.3	Very high	90	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	132.6	167.2	-164.4	69.3	0	0	0	108.8	Y338 R339 W345 L563 Y568 V570 C609	L318-Y338 CarbonylContact O-C 3.57Å; L318-Y338 VanDerWaalsContact O-CA 3.29Å; L318-Y338 WeakPolarHBondContact O-CA 3.38Å; L318-R339 HydrophobicContact CB-CB 4.28Å; L318-R339 PolarHBondContact O-N 2.92Å; L318-W345 HydrophobicContact CD2-CH2 4.29Å; L318-L563 HydrophobicContact CB-CD2 4.37Å; L318-Y568 HydrophobicContact CD1-CG 4.42Å; L318-Y568 HydrophobicContact CD2-CD1 4.2Å; L318-Y568 HydrophobicContact CD2-CG 4.16Å; L318-V570 HydrophobicContact CD2-CG2 3.9Å; L318-C609 WeakPolarHBondContact CD1-SG 3.41Å
319	V	97.2	Very high	88.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.7	-180	172.4	0	0	0	0	109.8	V317 V321 I336 L337 L348 C609 C610 I612	V317-V319 HydrophobicContact CG2-CG2 4.03Å; V319-V321 HydrophobicContact CG1-CG2 3.97Å; V319-I336 HydrophobicContact CG1-CG2 3.31Å; V319-L337 CarbonylContact C-O 3.57Å; V319-L337 VanDerWaalsContact CA-O 3.23Å; V319-L337 WeakPolarHBondContact CA-O 3.4Å; V319-L337 WeakPolarHBondContact CG1-O 3.39Å; V319-L348 HydrophobicContact CG2-CD2 4.4Å; V319-C609 VanDerWaalsContact O-CA 3.28Å; V319-C609 WeakPolarHBondContact O-CA 3.43Å; V319-C609 PolarHBondContact O-SG 3.38Å; V319-C609 VanDerWaalsContact O-SG 3.32Å; V319-C610 PolarHBondContact N-O 3.35Å; V319-C610 PolarHBondContact O-N 3.22Å; V319-I612 HydrophobicContact CB-CG2 4.49Å; V319-I612 HydrophobicContact CG2-CG2 3.54Å
320	T	96.9	Very high	86.7	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.037	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.3	168.5	54.4	0	0	0	0	110.2	I336 L337 W345 V570 L600 V607 S608	T320-I336 WeakPolarHBondContact O-CA 3.45Å; T320-L337 PolarHBondContact N-O 3.21Å; T320-L337 PolarHBondContact O-N 3.48Å; T320-W345 HydrophobicContact CG2-CH2 3.54Å; T320-W345 HydrophobicContact CG2-CZ2 4.4Å; T320-W345 HydrophobicContact CG2-CZ3 3.84Å; T320-V570 HydrophobicContact CG2-CG1 3.83Å; T320-L600 HydrophobicContact CG2-CD2 3.95Å; T320-V607 HydrophobicContact CG2-CG2 4Å; T320-S608 CarbonylContact C-O 3.49Å; T320-S608 WeakPolarHBondContact CA-O 3.03Å
321	V	97.1	Very high	85.9	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119.7	-174.9	-177.7	0	0	0	0	108.7	V319 I336 M351 Q358 V360 L367 V369 S608	V319-V321 HydrophobicContact CG1-CG2 3.97Å; V321-I336 HydrophobicContact CG1-CD1 4Å; V321-I336 HydrophobicContact CG1-CG1 4.24Å; V321-I336 HydrophobicContact CG2-CD1 4.1Å; V321-I336 HydrophobicContact CG2-CG1 4.45Å; V321-I336 HydrophobicContact CG2-CG2 4.3Å; V321-M351 HydrophobicContact CG1-CE 4.41Å; V321-M351 HydrophobicContact CG1-CG 4.04Å; V321-M351 HydrophobicContact CG1-SD 3.34Å; V321-M351 WeakPolarHBondContact CG1-SD 3.39Å; V321-Q358 PolarHBondContact O-NE2 3.39Å; V321-V360 HydrophobicContact CB-CG1 3.85Å; V321-V360 HydrophobicContact CG1-CG1 3.91Å; V321-V360 HydrophobicContact CG2-CG1 3.95Å; V321-L367 HydrophobicContact CG2-CD2 4Å; V321-V369 HydrophobicContact CG1-CG1 4.25Å; V321-V369 HydrophobicContact CG1-CG2 4.04Å; V321-S608 PolarHBondContact N-O 3.18Å; V321-S608 PolarHBondContact O-N 3.21Å; V321-S608 VanDerWaalsContact O-N 3.16Å
322	G	94.1	Very high	85.7	Confident	6 Å²	6	49 Å²	49	6%	0.062	26%	0.26	C	S	.	.			trans	59.8	-142.7	172.5	0	0	0	0	0	114.1	D335 M351	G322-D335 PolarHBondContact N-O 3.17Å; G322-M351 VanDerWaalsContact CA-CE 3.43Å
323	G	93.4	Very high	85.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.			trans	100.4	178.5	-178.1	0	0	0	0	0	112.8	S333 S355	G323-S333 WeakPolarHBondContact O-CB 3.35Å; G323-S333 PolarHBondContact O-N 3.02Å; G323-S355 PolarHBondContact N-O 3.28Å
324	R	92.3	Very high	85.9	Confident	60 Å²	60	53.8 Å²	53.8	23%	0.226	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	106.1	-178.9	-170	166.2	66.3	76.8	7.1	110	L332 F356 Y580 V605	R324-L332 HydrophobicContact CB-CD2 3.85Å; R324-L332 HydrophobicContact CG-CD2 3.83Å; R324-F356 HydrophobicContact CB-CB 4.28Å; R324-F356 HydrophobicContact CB-CD2 4.26Å; R324-F356 HydrophobicContact CB-CG 4.29Å; R324-Y580 PolarHBondContact NH1-OH 3.19Å; R324-Y580 PolarHBondContact NH2-OH 3.4Å; R324-V605 HydrophobicContact CB-CG2 3.99Å; R324-V605 PolarHBondContact N-O 2.96Å; R324-V605 PolarHBondContact O-N 3.48Å
325	P	90.8	Very high	86.3	Confident	13 Å²	13	54.9 Å²	54.9	8%	0.084	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	160.5	178	-17.2	31.2	0	0	0	112.5	E602 A603	P325-E602 HydrophobicContact CB-CG 3.95Å; P325-E602 WeakPolarHBondContact CB-OE1 3.48Å; P325-A603 CarbonylContact C-O 3.55Å; P325-A603 WeakPolarHBondContact CA-O 3.48Å
326	A	86.2	Confident	86.7	Confident	44 Å²	44	52.1 Å²	52.1	36%	0.364	27%	0.266	S	S	.	.	S	Bend	trans	-75.4	-30.9	-178.1	0	0	0	0	0	113.8	T328 Y580 A603	A326-T328 PolarHBondContact O-N 3.31Å; A326-Y580 HydrophobicContact CB-CD2 3.61Å; A326-Y580 HydrophobicContact CB-CE2 4.23Å; A326-Y580 HydrophobicContact CB-CG 3.95Å; A326-A603 HydrophobicContact CB-CB 4.07Å; A326-A603 PolarHBondContact N-O 2.76Å
327	L	76.6	Confident	86.9	Confident	109 Å²	109	47.5 Å²	47.5	57%	0.571	25%	0.251	S	S	*	.	S	Bend	trans	-71.8	118.5	-178.1	-64.3	168.9	0	0	0	109.8	E329 K330 E602	L327-E329 PolarHBondContact O-N 2.84Å; L327-E329 VanDerWaalsContact O-N 3.11Å; L327-K330 PolarHBondContact O-N 3.09Å; L327-K330 VanDerWaalsContact O-N 3.08Å; L327-E602 VanDerWaalsContact CB-OE1 3.23Å; L327-E602 WeakPolarHBondContact CB-OE1 3.35Å; L327-E602 HydrophobicContact CD1-CG 4.42Å; L327-E602 WeakPolarHBondContact CD1-OE1 3.5Å; L327-E602 WeakPolarHBondContact CG-OE1 3.46Å; L327-E602 PolarHBondContact N-OE1 3.46Å
328	T	57.9	Low	86.9	Confident	143 Å²	143	49 Å²	49	88%	0.877	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-18	-169.8	47.7	0	0	0	0	115	A326	A326-T328 PolarHBondContact O-N 3.31Å
329	E	58.9	Low	86.8	Confident	192 Å²	192	51 Å²	51	90%	0.897	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-21.1	177.2	-64.1	-176.3	178.9	0	0	112.8	L327	L327-E329 PolarHBondContact O-N 2.84Å; L327-E329 VanDerWaalsContact O-N 3.11Å
330	K	58.3	Low	86.4	Confident	118 Å²	118	51.4 Å²	51.4	51%	0.513	27%	0.266	S	S	.	.	S	Bend	trans	-91.4	122.1	176.3	-70.6	-175.4	-176.4	174.2	0	110.2	L327 E602	L327-K330 PolarHBondContact O-N 3.09Å; L327-K330 VanDerWaalsContact O-N 3.08Å; K330-E602 WeakPolarHBondContact CD-OE2 3.44Å; K330-E602 IonicContact NZ-OE2 3.66Å; K330-E602 PolarHBondContact NZ-OE2 3.25Å
331	S	76.3	Confident	85.7	Confident	81 Å²	81	56.2 Å²	56.2	57%	0.566	30%	0.298	S	S	*	.			trans	-62.7	178.4	164	64.1	0	0	0	0	111.3	S333	S331-S333 PolarHBondContact O-N 2.76Å
332	L	88.6	Confident	85.1	Confident	14 Å²	14	62.7 Å²	62.7	7%	0.073	33%	0.328	C	S	.	.	S	Bend	trans	-45.3	137.9	170.6	-59.1	179.3	0	0	0	112.1	R324 K354 F356 E373 D374	R324-L332 HydrophobicContact CB-CD2 3.85Å; R324-L332 HydrophobicContact CG-CD2 3.83Å; L332-K354 HydrophobicContact CB-CB 4Å; L332-K354 HydrophobicContact CB-CD 4.25Å; L332-K354 HydrophobicContact CB-CG 4.22Å; L332-F356 HydrophobicContact CD1-CD1 3.7Å; L332-F356 HydrophobicContact CD1-CE1 4.14Å; L332-F356 HydrophobicContact CD2-CB 4.06Å; L332-F356 HydrophobicContact CD2-CD1 3.3Å; L332-F356 HydrophobicContact CD2-CE1 3.87Å; L332-F356 HydrophobicContact CD2-CG 3.79Å; L332-F356 HydrophobicContact CG-CD1 4.14Å; L332-E373 WeakPolarHBondContact CD1-O 3.49Å; L332-D374 VanDerWaalsContact CD1-O 3.25Å; L332-D374 WeakPolarHBondContact CD1-O 3.5Å
333	S	90.3	Very high	84.6	Confident	21 Å²	21	67 Å²	67	15%	0.147	35%	0.35	C	S	.	.			trans	-77.1	142.6	-175.4	-175.3	0	0	0	0	111.9	G323 S331 D335 M351	G323-S333 WeakPolarHBondContact O-CB 3.35Å; G323-S333 PolarHBondContact O-N 3.02Å; S331-S333 PolarHBondContact O-N 2.76Å; S333-D335 WeakPolarHBondContact OG-CB 3.41Å; S333-D335 PolarHBondContact OG-N 3.05Å; S333-M351 VanDerWaalsContact O-CE 3.25Å; S333-M351 WeakPolarHBondContact O-CE 3.33Å
334	R	93.4	Very high	84.5	Confident	103 Å²	103	67.9 Å²	67.9	39%	0.389	36%	0.358	S	S	.	.			trans	-100.5	-10	164.7	-65.6	177.9	66.8	-170.8	-3.3	111.8	E350 M351 P352 K354	R334-E350 HydrophobicContact CB-CB 4.35Å; R334-E350 CarbonylContact O-C 3.47Å; R334-E350 WeakPolarHBondContact O-CA 3.46Å; R334-M351 VanDerWaalsContact CZ-O 3.27Å; R334-M351 PolarHBondContact NE-O 2.97Å; R334-M351 PolarHBondContact NH2-O 3.28Å; R334-M351 PolarHBondContact O-N 2.91Å; R334-P352 PolarHBondContact NH2-O 3.36Å; R334-K354 HydrophobicContact CG-CB 3.68Å
335	D	94.1	Very high	84.6	Confident	51 Å²	51	66.8 Å²	66.8	27%	0.273	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	139.9	-168.6	-68	-28.5	0	0	0	111.1	G322 S333 L337 K347	G322-D335 PolarHBondContact N-O 3.17Å; S333-D335 WeakPolarHBondContact OG-CB 3.41Å; S333-D335 PolarHBondContact OG-N 3.05Å; D335-L337 HydrophobicContact CB-CD2 3.98Å; D335-L337 HydrophobicContact CB-CG 4.35Å; D335-K347 VanDerWaalsContact OD1-CE 3.29Å; D335-K347 WeakPolarHBondContact OD1-CE 3.12Å; D335-K347 IonicContact OD1-NZ 3.92Å; D335-K347 PolarHBondContact OD1-NZ 2.71Å
336	I	96	Very high	84.7	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.7	162.2	-57	-156.2	0	0	0	106.8	V319 T320 V321 L348 S349 M351 L367 W399	V319-I336 HydrophobicContact CG1-CG2 3.31Å; T320-I336 WeakPolarHBondContact O-CA 3.45Å; V321-I336 HydrophobicContact CG1-CD1 4Å; V321-I336 HydrophobicContact CG1-CG1 4.24Å; V321-I336 HydrophobicContact CG2-CD1 4.1Å; V321-I336 HydrophobicContact CG2-CG1 4.45Å; V321-I336 HydrophobicContact CG2-CG2 4.3Å; I336-L348 HydrophobicContact CB-CB 4.4Å; I336-L348 HydrophobicContact CG2-CB 4.05Å; I336-L348 HydrophobicContact CG2-CD2 3.98Å; I336-L348 HydrophobicContact CG2-CG 4.39Å; I336-L348 WeakPolarHBondContact O-CB 3.36Å; I336-L348 PolarHBondContact O-N 3.06Å; I336-S349 PolarHBondContact N-O 3.28Å; I336-S349 PolarHBondContact O-N 3.35Å; I336-M351 HydrophobicContact CD1-CG 4.01Å; I336-M351 HydrophobicContact CG1-CG 4.01Å; I336-L367 HydrophobicContact CD1-CD2 3.82Å; I336-W399 HydrophobicContact CD1-CH2 3.49Å; I336-W399 VanDerWaalsContact CD1-CH2 3.49Å; I336-W399 HydrophobicContact CD1-CZ2 3.28Å; I336-W399 HydrophobicContact CG1-CZ2 4.26Å
337	L	95.6	Very high	85	Confident	33 Å²	33	72.1 Å²	72.1	17%	0.173	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.1	179.7	-47.7	177.8	0	0	0	108.8	V319 T320 D335 W345 K346 K347 P601	V319-L337 CarbonylContact C-O 3.57Å; V319-L337 VanDerWaalsContact CA-O 3.23Å; V319-L337 WeakPolarHBondContact CA-O 3.4Å; V319-L337 WeakPolarHBondContact CG1-O 3.39Å; T320-L337 PolarHBondContact N-O 3.21Å; T320-L337 PolarHBondContact O-N 3.48Å; D335-L337 HydrophobicContact CB-CD2 3.98Å; D335-L337 HydrophobicContact CB-CG 4.35Å; L337-W345 HydrophobicContact CB-CE3 3.69Å; L337-W345 HydrophobicContact CB-CZ3 4.17Å; L337-K346 CarbonylContact C-O 3.59Å; L337-K346 VanDerWaalsContact CA-O 3.25Å; L337-K346 WeakPolarHBondContact CA-O 3.45Å; L337-K347 HydrophobicContact CD2-CB 4.02Å; L337-K347 HydrophobicContact CD2-CG 4.34Å; L337-P601 HydrophobicContact CD1-CG 4.16Å
338	Y	95.4	Very high	85.8	Confident	33 Å²	33	68.2 Å²	68.2	13%	0.129	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.2	171	77.8	-82.2	0	0	0	110.2	F315 V317 L318 D340 W345 K346 L348	F315-Y338 HydrophobicContact CE2-CE2 4.47Å; F315-Y338 HydrophobicContact CZ-CE2 4.44Å; V317-Y338 HydrophobicContact CB-CD2 4.31Å; V317-Y338 HydrophobicContact CG1-CD2 4.13Å; V317-Y338 HydrophobicContact CG2-CD2 4.28Å; L318-Y338 CarbonylContact O-C 3.57Å; L318-Y338 VanDerWaalsContact O-CA 3.29Å; L318-Y338 WeakPolarHBondContact O-CA 3.38Å; Y338-D340 HydrophobicContact CD2-CB 4.49Å; Y338-D340 HydrophobicContact CE2-CB 3.88Å; Y338-D340 PolarHBondContact O-N 2.84Å; Y338-W345 VanDerWaalsContact C-CE3 3.47Å; Y338-W345 WeakPolarHBondContact O-CA 3.49Å; Y338-K346 HydrophobicContact CD1-CB 4.01Å; Y338-K346 WeakPolarHBondContact CD1-O 3.38Å; Y338-K346 HydrophobicContact CE1-CB 3.43Å; Y338-K346 VanDerWaalsContact CE1-CB 3.43Å; Y338-K346 HydrophobicContact CE1-CD 4.45Å; Y338-K346 HydrophobicContact CE2-CB 4.47Å; Y338-K346 PolarHBondContact N-O 3Å; Y338-K346 PolarHBondContact O-N 3.07Å; Y338-K346 VanDerWaalsContact OH-CD 3.3Å; Y338-K346 WeakPolarHBondContact OH-CD 3.32Å; Y338-L348 HydrophobicContact CD1-CB 3.9Å; Y338-L348 HydrophobicContact CD1-CD1 4.41Å
339	R	93.4	Very high	87.6	Confident	44 Å²	44	62.1 Å²	62.1	17%	0.166	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	106.4	174.6	-172.2	176.2	175.2	-164.2	-6.4	109	L318 W345 E597	L318-R339 HydrophobicContact CB-CB 4.28Å; L318-R339 PolarHBondContact O-N 2.92Å; R339-W345 HydrophobicContact CB-CD2 4.24Å; R339-W345 HydrophobicContact CB-CE3 4.21Å; R339-W345 HydrophobicContact CB-CH2 4.08Å; R339-W345 HydrophobicContact CB-CZ2 4.12Å; R339-W345 HydrophobicContact CB-CZ3 4.14Å; R339-E597 IonicContact CZ-OE2 3.67Å; R339-E597 IonicContact NH1-OE2 2.66Å; R339-E597 IonicContact NH2-OE2 2.71Å; R339-E597 PolarHBondContact NH2-OE2 2.93Å
340	D	88.7	Confident	89.4	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.043	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.9	167.1	-174.8	-32.1	0	0	0	108.1	Y338 E342 N343 G344 K346	Y338-D340 HydrophobicContact CD2-CB 4.49Å; Y338-D340 HydrophobicContact CE2-CB 3.88Å; Y338-D340 PolarHBondContact O-N 2.84Å; D340-E342 PolarHBondContact O-N 2.89Å; D340-E342 VanDerWaalsContact O-N 3.13Å; D340-E342 PolarHBondContact OD1-N 2.8Å; D340-N343 HydrophobicContact CB-CB 4.15Å; D340-N343 PolarHBondContact O-N 3.29Å; D340-N343 PolarHBondContact OD1-N 3.04Å; D340-N343 PolarHBondContact OD2-ND2 3.04Å; D340-G344 WeakPolarHBondContact CA-O 3.48Å; D340-G344 VanDerWaalsContact CB-O 3.24Å; D340-G344 WeakPolarHBondContact CB-O 3.43Å; D340-G344 PolarHBondContact N-O 2.78Å; D340-G344 PolarHBondContact O-N 2.91Å; D340-K346 HydrophobicContact CB-CD 4.2Å; D340-K346 IonicContact OD2-NZ 2.83Å; D340-K346 PolarHBondContact OD2-NZ 2.94Å
341	P	82.4	Confident	91.1	Very high	108 Å²	108	51.4 Å²	51.4	70%	0.701	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.8	-179.7	-25.8	34.8	0	0	0	114.6
342	E	84.6	Confident	92	Very high	136 Å²	136	49.4 Å²	49.4	64%	0.636	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-29.5	-176.9	-71.5	171.3	-164.6	0	0	113.1	D340 K618	D340-E342 PolarHBondContact O-N 2.89Å; D340-E342 VanDerWaalsContact O-N 3.13Å; D340-E342 PolarHBondContact OD1-N 2.8Å; E342-K618 IonicContact OE1-NZ 2.69Å; E342-K618 PolarHBondContact OE1-NZ 2.99Å; E342-K618 WeakPolarHBondContact OE2-CE 3.31Å; E342-K618 IonicContact OE2-NZ 2.78Å; E342-K618 PolarHBondContact OE2-NZ 2.72Å
343	N	84.8	Confident	92.1	Very high	97 Å²	97	50.8 Å²	50.8	52%	0.519	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	13	-168.6	-57.9	-69.6	0	0	0	113.9	D340 K346	D340-N343 HydrophobicContact CB-CB 4.15Å; D340-N343 PolarHBondContact O-N 3.29Å; D340-N343 PolarHBondContact OD1-N 3.04Å; D340-N343 PolarHBondContact OD2-ND2 3.04Å; N343-K346 VanDerWaalsContact CB-CE 3.44Å; N343-K346 PolarHBondContact ND2-NZ 3.01Å; N343-K346 VanDerWaalsContact ND2-NZ 3.16Å
344	G	90.3	Very high	92.1	Very high	17 Å²	17	53.9 Å²	53.9	18%	0.175	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68.2	-149.7	-179.4	0	0	0	0	0	113.1	D340	D340-G344 WeakPolarHBondContact CA-O 3.48Å; D340-G344 VanDerWaalsContact CB-O 3.24Å; D340-G344 WeakPolarHBondContact CB-O 3.43Å; D340-G344 PolarHBondContact N-O 2.78Å; D340-G344 PolarHBondContact O-N 2.91Å
345	W	93.7	Very high	92	Very high	37 Å²	37	49.5 Å²	49.5	14%	0.14	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.1	-176	-71.6	94.6	0	0	0	113.2	L318 T320 L337 Y338 R339 I584 E599 L600 P601	L318-W345 HydrophobicContact CD2-CH2 4.29Å; T320-W345 HydrophobicContact CG2-CH2 3.54Å; T320-W345 HydrophobicContact CG2-CZ2 4.4Å; T320-W345 HydrophobicContact CG2-CZ3 3.84Å; L337-W345 HydrophobicContact CB-CE3 3.69Å; L337-W345 HydrophobicContact CB-CZ3 4.17Å; Y338-W345 VanDerWaalsContact C-CE3 3.47Å; Y338-W345 WeakPolarHBondContact O-CA 3.49Å; R339-W345 HydrophobicContact CB-CD2 4.24Å; R339-W345 HydrophobicContact CB-CE3 4.21Å; R339-W345 HydrophobicContact CB-CH2 4.08Å; R339-W345 HydrophobicContact CB-CZ2 4.12Å; R339-W345 HydrophobicContact CB-CZ3 4.14Å; W345-I584 HydrophobicContact CZ2-CD1 3.55Å; W345-E599 PolarHBondContact NE1-O 2.74Å; W345-L600 HydrophobicContact CH2-CD2 4.23Å; W345-L600 HydrophobicContact CZ2-CD2 3.78Å; W345-P601 HydrophobicContact CB-CG 3.54Å; W345-P601 HydrophobicContact CG-CG 3.89Å
346	K	93.4	Very high	92	Very high	64 Å²	64	47.7 Å²	47.7	28%	0.278	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.6	175.7	-74.5	177.7	176.2	168.1	0	111.1	L337 Y338 D340 N343 L348	L337-K346 CarbonylContact C-O 3.59Å; L337-K346 VanDerWaalsContact CA-O 3.25Å; L337-K346 WeakPolarHBondContact CA-O 3.45Å; Y338-K346 HydrophobicContact CD1-CB 4.01Å; Y338-K346 WeakPolarHBondContact CD1-O 3.38Å; Y338-K346 HydrophobicContact CE1-CB 3.43Å; Y338-K346 VanDerWaalsContact CE1-CB 3.43Å; Y338-K346 HydrophobicContact CE1-CD 4.45Å; Y338-K346 HydrophobicContact CE2-CB 4.47Å; Y338-K346 PolarHBondContact N-O 3Å; Y338-K346 PolarHBondContact O-N 3.07Å; Y338-K346 VanDerWaalsContact OH-CD 3.3Å; Y338-K346 WeakPolarHBondContact OH-CD 3.32Å; D340-K346 HydrophobicContact CB-CD 4.2Å; D340-K346 IonicContact OD2-NZ 2.83Å; D340-K346 PolarHBondContact OD2-NZ 2.94Å; N343-K346 VanDerWaalsContact CB-CE 3.44Å; N343-K346 PolarHBondContact ND2-NZ 3.01Å; N343-K346 VanDerWaalsContact ND2-NZ 3.16Å; K346-L348 PolarHBondContact O-N 2.85Å
347	K	93.3	Very high	92	Very high	106 Å²	106	48.6 Å²	48.6	46%	0.461	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	124.7	173.9	-176.2	166.2	177.1	157	0	110	D335 L337 E350	D335-K347 VanDerWaalsContact OD1-CE 3.29Å; D335-K347 WeakPolarHBondContact OD1-CE 3.12Å; D335-K347 IonicContact OD1-NZ 3.92Å; D335-K347 PolarHBondContact OD1-NZ 2.71Å; L337-K347 HydrophobicContact CD2-CB 4.02Å; L337-K347 HydrophobicContact CD2-CG 4.34Å; K347-E350 VanDerWaalsContact CE-CG 3.46Å; K347-E350 WeakPolarHBondContact CE-OE1 3.45Å; K347-E350 IonicContact NZ-OE1 2.77Å; K347-E350 PolarHBondContact NZ-OE1 3.5Å
348	L	93.5	Very high	92	Very high	26 Å²	26	47.3 Å²	47.3	14%	0.136	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-54.4	177.2	179.3	53.1	0	0	0	111.5	V319 I336 Y338 K346 Y392 M614	V319-L348 HydrophobicContact CG2-CD2 4.4Å; I336-L348 HydrophobicContact CB-CB 4.4Å; I336-L348 HydrophobicContact CG2-CB 4.05Å; I336-L348 HydrophobicContact CG2-CD2 3.98Å; I336-L348 HydrophobicContact CG2-CG 4.39Å; I336-L348 WeakPolarHBondContact O-CB 3.36Å; I336-L348 PolarHBondContact O-N 3.06Å; Y338-L348 HydrophobicContact CD1-CB 3.9Å; Y338-L348 HydrophobicContact CD1-CD1 4.41Å; K346-L348 PolarHBondContact O-N 2.85Å; L348-Y392 HydrophobicContact CD2-CE1 3.9Å; L348-Y392 HydrophobicContact CG-CE1 4.21Å; L348-M614 HydrophobicContact CD1-CE 3.29Å; L348-M614 HydrophobicContact CD1-SD 4.07Å; L348-M614 HydrophobicContact CD2-CE 4.2Å; L348-M614 HydrophobicContact CD2-SD 3.87Å; L348-M614 HydrophobicContact CG-CE 4.37Å
349	S	95.6	Very high	92.1	Very high	16 Å²	16	46.6 Å²	46.6	11%	0.112	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	-176.2	-174.7	-160.4	0	0	0	0	109.8	I336 N397 W399	I336-S349 PolarHBondContact N-O 3.28Å; I336-S349 PolarHBondContact O-N 3.35Å; S349-N397 WeakPolarHBondContact CB-OD1 3.43Å; S349-N397 PolarHBondContact OG-OD1 3.13Å; S349-W399 PolarHBondContact OG-NE1 3.36Å
350	E	95.7	Very high	92.3	Very high	81 Å²	81	45.4 Å²	45.4	38%	0.379	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.4	170.9	-67.7	-175.7	-179.4	0	0	110.6	R334 K347 W399	R334-E350 HydrophobicContact CB-CB 4.35Å; R334-E350 CarbonylContact O-C 3.47Å; R334-E350 WeakPolarHBondContact O-CA 3.46Å; K347-E350 VanDerWaalsContact CE-CG 3.46Å; K347-E350 WeakPolarHBondContact CE-OE1 3.45Å; K347-E350 IonicContact NZ-OE1 2.77Å; K347-E350 PolarHBondContact NZ-OE1 3.5Å; E350-W399 PolarHBondContact O-NE1 3.09Å
351	M	94.9	Very high	92.7	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.02	25%	0.246	C	C	.	.			trans	-60.2	146.9	170.8	-64.4	-173.7	-65.7	0	0	110.7	V321 G322 S333 R334 I336 A353 V369 W399	V321-M351 HydrophobicContact CG1-CE 4.41Å; V321-M351 HydrophobicContact CG1-CG 4.04Å; V321-M351 HydrophobicContact CG1-SD 3.34Å; V321-M351 WeakPolarHBondContact CG1-SD 3.39Å; G322-M351 VanDerWaalsContact CA-CE 3.43Å; S333-M351 VanDerWaalsContact O-CE 3.25Å; S333-M351 WeakPolarHBondContact O-CE 3.33Å; R334-M351 VanDerWaalsContact CZ-O 3.27Å; R334-M351 PolarHBondContact NE-O 2.97Å; R334-M351 PolarHBondContact NH2-O 3.28Å; R334-M351 PolarHBondContact O-N 2.91Å; I336-M351 HydrophobicContact CD1-CG 4.01Å; I336-M351 HydrophobicContact CG1-CG 4.01Å; M351-A353 VanDerWaalsContact CB-O 3.3Å; M351-A353 WeakPolarHBondContact CB-O 3.45Å; M351-A353 PolarHBondContact O-N 3.39Å; M351-V369 HydrophobicContact SD-CG1 4Å; M351-W399 HydrophobicContact CG-CH2 4.07Å; M351-W399 HydrophobicContact CG-CZ2 4.24Å
352	P	94.3	Very high	93.4	Very high	39 Å²	39	43.1 Å²	43.1	25%	0.253	23%	0.226	S	C	.	.	S	Bend	trans	-58.3	-30.5	175.1	-26.4	35.2	0	0	0	113.8	R334 W399	R334-P352 PolarHBondContact NH2-O 3.36Å; P352-W399 HydrophobicContact CG-CB 3.98Å; P352-W399 HydrophobicContact CG-CD2 4.04Å; P352-W399 HydrophobicContact CG-CE3 4.1Å; P352-W399 HydrophobicContact CG-CG 4.01Å
353	A	90.4	Very high	94	Very high	42 Å²	42	37 Å²	37	35%	0.347	20%	0.197	S	C	.	.	S	Bend	trans	-133.3	149.9	176.8	0	0	0	0	0	110.8	M351	M351-A353 VanDerWaalsContact CB-O 3.3Å; M351-A353 WeakPolarHBondContact CB-O 3.45Å; M351-A353 PolarHBondContact O-N 3.39Å
354	K	91.2	Very high	94.4	Very high	87 Å²	87	35.1 Å²	35.1	38%	0.378	19%	0.187	S	C	.	.			trans	-71.4	139.6	173.4	64.2	-174.3	178	179.9	0	110.1	L332 R334 D374	L332-K354 HydrophobicContact CB-CB 4Å; L332-K354 HydrophobicContact CB-CD 4.25Å; L332-K354 HydrophobicContact CB-CG 4.22Å; R334-K354 HydrophobicContact CG-CB 3.68Å; K354-D374 VanDerWaalsContact CE-O 3.31Å; K354-D374 WeakPolarHBondContact CE-O 3.07Å
355	S	91.6	Very high	94.6	Very high	10 Å²	10	35.9 Å²	35.9	7%	0.07	20%	0.196	C	C	.	.			trans	-159.2	151.7	178.3	-176.6	0	0	0	0	111.9	G323 Q358 G371 E373	G323-S355 PolarHBondContact N-O 3.28Å; S355-Q358 VanDerWaalsContact CB-OE1 3.3Å; S355-Q358 PolarHBondContact O-OE1 3.47Å; S355-Q358 VanDerWaalsContact O-OE1 3.12Å; S355-Q358 PolarHBondContact OG-OE1 3.35Å; S355-G371 PolarHBondContact OG-O 3.26Å; S355-E373 WeakPolarHBondContact CA-O 3.33Å
356	F	93.6	Very high	94.7	Very high	13 Å²	13	34.1 Å²	34.1	6%	0.057	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-129.9	161.7	160.9	76.3	-60.9	0	0	0	110.1	R324 L332 Q358 G372 E373	R324-F356 HydrophobicContact CB-CB 4.28Å; R324-F356 HydrophobicContact CB-CD2 4.26Å; R324-F356 HydrophobicContact CB-CG 4.29Å; L332-F356 HydrophobicContact CD1-CD1 3.7Å; L332-F356 HydrophobicContact CD1-CE1 4.14Å; L332-F356 HydrophobicContact CD2-CB 4.06Å; L332-F356 HydrophobicContact CD2-CD1 3.3Å; L332-F356 HydrophobicContact CD2-CE1 3.87Å; L332-F356 HydrophobicContact CD2-CG 3.79Å; L332-F356 HydrophobicContact CG-CD1 4.14Å; F356-Q358 PolarHBondContact O-N 3.18Å; F356-Q358 VanDerWaalsContact O-N 3.09Å; F356-Q358 PolarHBondContact O-OE1 3.35Å; F356-G372 CarbonylContact O-C 3.52Å; F356-G372 WeakPolarHBondContact O-CA 3.26Å; F356-E373 HydrophobicContact CD1-CB 3.88Å; F356-E373 WeakPolarHBondContact CD1-O 3.48Å; F356-E373 HydrophobicContact CE1-CB 3.4Å; F356-E373 HydrophobicContact CE1-CG 4.41Å; F356-E373 HydrophobicContact CZ-CB 4.09Å; F356-E373 PolarHBondContact N-O 2.84Å; F356-E373 PolarHBondContact O-N 2.82Å
357	N	95.3	Very high	94.9	Very high	20 Å²	20	31.1 Å²	31.1	11%	0.107	18%	0.176	C	C	.	.	S	Bend	trans	58.4	15.4	-174.5	-56.7	-37.7	0	0	0	114.8	E373 T410 H411 G606	N357-E373 PolarHBondContact ND2-OE1 2.97Å; N357-T410 WeakPolarHBondContact CB-OG1 3.46Å; N357-H411 VanDerWaalsContact CG-CE1 3.4Å; N357-H411 PolarHBondContact ND2-CE1 3.03Å; N357-G606 PolarHBondContact N-O 2.83Å; N357-G606 WeakPolarHBondContact OD1-CA 3.42Å
358	Q	96.3	Very high	95.1	Very high	5 Å²	5	26.1 Å²	26.1	2%	0.023	15%	0.154	C	C	.	.			trans	-62.7	155.6	164.7	64.5	-75.5	-10.4	0	0	110.1	V321 S355 F356 V360 V369 A370 G371 S608	V321-Q358 PolarHBondContact O-NE2 3.39Å; S355-Q358 VanDerWaalsContact CB-OE1 3.3Å; S355-Q358 PolarHBondContact O-OE1 3.47Å; S355-Q358 VanDerWaalsContact O-OE1 3.12Å; S355-Q358 PolarHBondContact OG-OE1 3.35Å; F356-Q358 PolarHBondContact O-N 3.18Å; F356-Q358 VanDerWaalsContact O-N 3.09Å; F356-Q358 PolarHBondContact O-OE1 3.35Å; Q358-V360 HydrophobicContact CG-CG1 4.44Å; Q358-V369 HydrophobicContact CB-CG1 4.11Å; Q358-V369 HydrophobicContact CG-CG1 3.75Å; Q358-A370 WeakPolarHBondContact CA-O 3.47Å; Q358-A370 WeakPolarHBondContact CB-O 3.45Å; Q358-G371 WeakPolarHBondContact CB-O 3.29Å; Q358-S608 PolarHBondContact O-OG 3.03Å
359	C	97.7	Very high	95.3	Very high	18 Å²	18	25.2 Å²	25.2	12%	0.122	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	145.2	167.3	-62.8	0	0	0	0	110.2	A370 F412 L414	C359-A370 PolarHBondContact N-O 3.04Å; C359-A370 PolarHBondContact O-N 2.85Å; C359-F412 HydrophobicContact CB-CE1 4.23Å; C359-F412 HydrophobicContact CB-CE2 4.01Å; C359-F412 HydrophobicContact CB-CZ 3.76Å; C359-F412 PolarHBondContact SG-O 2.92Å; C359-L414 HydrophobicContact CB-CB 3.49Å; C359-L414 VanDerWaalsContact CB-CB 3.49Å; C359-L414 HydrophobicContact CB-CD2 4.33Å
360	V	97.8	Very high	95.5	Very high	19 Å²	19	24.5 Å²	24.5	12%	0.115	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.4	174.5	-61.4	0	0	0	0	111.1	V321 Q358 L367 Y368 V369 C609 C610	V321-V360 HydrophobicContact CB-CG1 3.85Å; V321-V360 HydrophobicContact CG1-CG1 3.91Å; V321-V360 HydrophobicContact CG2-CG1 3.95Å; Q358-V360 HydrophobicContact CG-CG1 4.44Å; V360-L367 HydrophobicContact CB-CD1 3.97Å; V360-L367 HydrophobicContact CG1-CD1 4.38Å; V360-Y368 VanDerWaalsContact CA-O 3.23Å; V360-Y368 WeakPolarHBondContact CA-O 3.48Å; V360-V369 HydrophobicContact CG1-CB 4.42Å; V360-V369 HydrophobicContact CG1-CG1 4.18Å; V360-V369 HydrophobicContact CG1-CG2 4.04Å; V360-C609 WeakPolarHBondContact CG2-O 3.21Å; V360-C610 HydrophobicContact CG2-CB 3.9Å
361	T	97.5	Very high	95.6	Very high	24 Å²	24	20.9 Å²	20.9	15%	0.147	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	161.5	171.5	-167	0	0	0	0	110.5	Y368 L414 V416 L421	T361-Y368 PolarHBondContact N-O 3.28Å; T361-Y368 VanDerWaalsContact N-O 3.11Å; T361-Y368 PolarHBondContact O-N 3.05Å; T361-L414 HydrophobicContact CG2-CD2 3.66Å; T361-L414 HydrophobicContact CG2-CG 4.06Å; T361-V416 HydrophobicContact CG2-CG2 3.61Å; T361-V416 VanDerWaalsContact OG1-CG2 3.26Å; T361-V416 WeakPolarHBondContact OG1-CG2 3.26Å; T361-L421 HydrophobicContact CG2-CD2 3.17Å
362	V	97.2	Very high	95.6	Very high	45 Å²	45	20.7 Å²	20.7	27%	0.273	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.8	-179.8	177	0	0	0	0	108.9	F366 L367 C610 T611 I612	V362-F366 VanDerWaalsContact CA-O 3.28Å; V362-F366 WeakPolarHBondContact CA-O 3.41Å; V362-L367 HydrophobicContact CG2-CD1 4.39Å; V362-C610 HydrophobicContact CG2-CB 4.07Å; V362-T611 WeakPolarHBondContact CG2-O 3.44Å; V362-I612 HydrophobicContact CG1-CG1 4.3Å; V362-I612 HydrophobicContact CG2-CB 4.16Å; V362-I612 HydrophobicContact CG2-CD1 4.41Å; V362-I612 HydrophobicContact CG2-CG1 4.44Å
363	M	95.8	Very high	95.6	Very high	7 Å²	7	18.9 Å²	18.9	3%	0.034	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	129.1	177.9	-178.7	173.6	72.9	0	0	108.3	G365 F366 Y368 V416 L421 P441	M363-G365 PolarHBondContact O-N 3.41Å; M363-F366 PolarHBondContact N-O 3.18Å; M363-F366 WeakPolarHBondContact O-CB 3.48Å; M363-F366 PolarHBondContact O-N 2.75Å; M363-Y368 HydrophobicContact CB-CD2 4.19Å; M363-Y368 HydrophobicContact CB-CE2 3.86Å; M363-Y368 HydrophobicContact CE-CE2 3.86Å; M363-V416 HydrophobicContact CB-CG1 4.11Å; M363-V416 HydrophobicContact CB-CG2 3.88Å; M363-V416 HydrophobicContact CG-CG1 3.86Å; M363-V416 HydrophobicContact CG-CG2 4.45Å; M363-V416 HydrophobicContact SD-CG1 3.73Å; M363-V416 HydrophobicContact SD-CG2 4.34Å; M363-L421 HydrophobicContact CE-CD1 3.66Å; M363-L421 HydrophobicContact CE-CG 3.94Å; M363-L421 HydrophobicContact SD-CG 4.19Å; M363-P441 HydrophobicContact CE-CG 3.63Å
364	D	93.8	Very high	95.7	Very high	57 Å²	57	19.4 Å²	19.4	31%	0.305	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	32.4	177	-58.2	-35.4	0	0	0	114.7	N302 Q305 F366	N302-D364 WeakPolarHBondContact CB-OD2 2.92Å; N302-D364 PolarHBondContact ND2-OD2 2.88Å; Q305-D364 HydrophobicContact CG-CB 3.59Å; D364-F366 HydrophobicContact CB-CD2 4.05Å; D364-F366 HydrophobicContact CB-CE2 4.36Å; D364-F366 VanDerWaalsContact O-CD2 3.29Å; D364-F366 WeakPolarHBondContact O-CD2 3.47Å; D364-F366 PolarHBondContact O-N 3Å
365	G	93.2	Very high	95.6	Very high	34 Å²	34	19.7 Å²	19.7	35%	0.351	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	2.8	-178	0	0	0	0	0	114.7	M363 P394	M363-G365 PolarHBondContact O-N 3.41Å; G365-P394 VanDerWaalsContact O-CD 3.27Å; G365-P394 WeakPolarHBondContact O-CD 3.44Å; G365-P394 WeakPolarHBondContact O-CG 3.35Å
366	F	96.3	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.6	174.2	-57.8	-85.4	0	0	0	111.4	Q301 V362 M363 D364 Y368 R391 Y392 D393	Q301-F366 HydrophobicContact CB-CE2 4.17Å; Q301-F366 HydrophobicContact CB-CZ 3.77Å; Q301-F366 VanDerWaalsContact OE1-CZ 3.32Å; V362-F366 VanDerWaalsContact CA-O 3.28Å; V362-F366 WeakPolarHBondContact CA-O 3.41Å; M363-F366 PolarHBondContact N-O 3.18Å; M363-F366 WeakPolarHBondContact O-CB 3.48Å; M363-F366 PolarHBondContact O-N 2.75Å; D364-F366 HydrophobicContact CB-CD2 4.05Å; D364-F366 HydrophobicContact CB-CE2 4.36Å; D364-F366 VanDerWaalsContact O-CD2 3.29Å; D364-F366 WeakPolarHBondContact O-CD2 3.47Å; D364-F366 PolarHBondContact O-N 3Å; F366-Y368 HydrophobicContact CB-CD2 4.36Å; F366-Y368 HydrophobicContact CB-CE2 3.84Å; F366-R391 HydrophobicContact CB-CG 3.63Å; F366-R391 HydrophobicContact CD1-CG 4.12Å; F366-R391 HydrophobicContact CG-CG 4.09Å; F366-Y392 WeakPolarHBondContact CA-O 3.35Å; F366-D393 HydrophobicContact CD1-CB 3.94Å; F366-D393 HydrophobicContact CE1-CB 3.97Å; F366-D393 WeakPolarHBondContact CE1-OD2 3.2Å
367	L	97.9	Very high	94.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.8	169	166.4	63.2	0	0	0	109.3	V321 I336 V360 V362 V369 R391 Y392 C610 I612	V321-L367 HydrophobicContact CG2-CD2 4Å; I336-L367 HydrophobicContact CD1-CD2 3.82Å; V360-L367 HydrophobicContact CB-CD1 3.97Å; V360-L367 HydrophobicContact CG1-CD1 4.38Å; V362-L367 HydrophobicContact CG2-CD1 4.39Å; L367-V369 HydrophobicContact CD1-CG2 4.46Å; L367-V369 HydrophobicContact CD2-CG2 4.45Å; L367-V369 HydrophobicContact CG-CG2 4.15Å; L367-R391 CarbonylContact O-C 3.52Å; L367-R391 VanDerWaalsContact O-CA 3.3Å; L367-R391 WeakPolarHBondContact O-CA 3.44Å; L367-Y392 HydrophobicContact CB-CD1 4.22Å; L367-Y392 HydrophobicContact CD2-CD1 4.28Å; L367-Y392 PolarHBondContact N-O 3.02Å; L367-Y392 PolarHBondContact O-N 2.92Å; L367-C610 VanDerWaalsContact CD1-SG 3.56Å; L367-I612 HydrophobicContact CB-CD1 3.76Å
368	Y	98.2	Very high	93.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.2	173.5	-71.7	-91.6	0	0	0	110.2	N302 V360 T361 M363 F366 F389 C390 R391 L402 L421	N302-Y368 VanDerWaalsContact CG-OH 3.27Å; N302-Y368 PolarHBondContact ND2-OH 2.88Å; N302-Y368 PolarHBondContact OD1-OH 2.8Å; V360-Y368 VanDerWaalsContact CA-O 3.23Å; V360-Y368 WeakPolarHBondContact CA-O 3.48Å; T361-Y368 PolarHBondContact N-O 3.28Å; T361-Y368 VanDerWaalsContact N-O 3.11Å; T361-Y368 PolarHBondContact O-N 3.05Å; M363-Y368 HydrophobicContact CB-CD2 4.19Å; M363-Y368 HydrophobicContact CB-CE2 3.86Å; M363-Y368 HydrophobicContact CE-CE2 3.86Å; F366-Y368 HydrophobicContact CB-CD2 4.36Å; F366-Y368 HydrophobicContact CB-CE2 3.84Å; Y368-F389 HydrophobicContact CD1-CE1 4.12Å; Y368-F389 AromaticContact CD1-CE2 3.8Å; Y368-F389 HydrophobicContact CD1-CE2 3.8Å; Y368-F389 AromaticContact CD1-CZ 3.29Å; Y368-F389 HydrophobicContact CD1-CZ 3.29Å; Y368-F389 HydrophobicContact CE1-CE1 4.39Å; Y368-F389 AromaticContact CE1-CZ 3.91Å; Y368-F389 HydrophobicContact CE1-CZ 3.91Å; Y368-F389 HydrophobicContact CG-CE2 4.37Å; Y368-F389 HydrophobicContact CG-CZ 4.15Å; Y368-C390 WeakPolarHBondContact CA-O 3.41Å; Y368-R391 HydrophobicContact CD1-CB 3.9Å; Y368-R391 HydrophobicContact CD1-CG 3.91Å; Y368-R391 HydrophobicContact CD2-CG 4.36Å; Y368-R391 HydrophobicContact CE1-CB 3.85Å; Y368-R391 HydrophobicContact CE1-CG 3.64Å; Y368-R391 HydrophobicContact CE2-CG 4.06Å; Y368-R391 HydrophobicContact CG-CG 4.31Å; Y368-R391 VanDerWaalsContact OH-CD 3.27Å; Y368-R391 WeakPolarHBondContact OH-CD 3.26Å; Y368-L402 HydrophobicContact CD1-CD1 3.92Å; Y368-L402 HydrophobicContact CE1-CD1 3.55Å; Y368-L421 HydrophobicContact CD1-CD1 3.87Å; Y368-L421 HydrophobicContact CD2-CD1 4.31Å; Y368-L421 HydrophobicContact CE1-CD1 3.9Å; Y368-L421 HydrophobicContact CE2-CD1 4.4Å; Y368-L421 HydrophobicContact CG-CD1 4.02Å
369	V	98.3	Very high	92.3	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.048	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.5	178.4	-171.8	0	0	0	0	108.9	V321 M351 Q358 V360 L367 F389 C390 W399	V321-V369 HydrophobicContact CG1-CG1 4.25Å; V321-V369 HydrophobicContact CG1-CG2 4.04Å; M351-V369 HydrophobicContact SD-CG1 4Å; Q358-V369 HydrophobicContact CB-CG1 4.11Å; Q358-V369 HydrophobicContact CG-CG1 3.75Å; V360-V369 HydrophobicContact CG1-CB 4.42Å; V360-V369 HydrophobicContact CG1-CG1 4.18Å; V360-V369 HydrophobicContact CG1-CG2 4.04Å; L367-V369 HydrophobicContact CD1-CG2 4.46Å; L367-V369 HydrophobicContact CD2-CG2 4.45Å; L367-V369 HydrophobicContact CG-CG2 4.15Å; V369-F389 WeakPolarHBondContact O-CD2 3.38Å; V369-C390 PolarHBondContact N-O 2.92Å; V369-C390 PolarHBondContact O-N 3.33Å; V369-W399 HydrophobicContact CG2-CH2 3.83Å; V369-W399 HydrophobicContact CG2-CZ3 3.92Å
370	A	98.3	Very high	91.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	137.7	-173.1	0	0	0	0	0	112.7	Q358 C359 N388 F389 M405 F412 L414	Q358-A370 WeakPolarHBondContact CA-O 3.47Å; Q358-A370 WeakPolarHBondContact CB-O 3.45Å; C359-A370 PolarHBondContact N-O 3.04Å; C359-A370 PolarHBondContact O-N 2.85Å; A370-N388 WeakPolarHBondContact CA-O 3.34Å; A370-F389 HydrophobicContact CB-CD2 3.61Å; A370-F389 HydrophobicContact CB-CE2 3.99Å; A370-M405 HydrophobicContact CB-CE 4.45Å; A370-F412 HydrophobicContact CB-CE2 4.42Å; A370-F412 HydrophobicContact CB-CZ 3.89Å; A370-F412 VanDerWaalsContact O-CZ 3.28Å; A370-F412 WeakPolarHBondContact O-CZ 3.28Å; A370-L414 HydrophobicContact CB-CD2 3.9Å
371	G	97.6	Very high	90.4	Very high	4 Å²	4	43 Å²	43	4%	0.041	24%	0.235	C	C	.	.			trans	61.1	-144.4	169.4	0	0	0	0	0	113.8	S355 Q358 V386 N388	S355-G371 PolarHBondContact OG-O 3.26Å; Q358-G371 WeakPolarHBondContact CB-O 3.29Å; G371-V386 WeakPolarHBondContact CA-O 3.42Å; G371-N388 PolarHBondContact N-O 2.83Å
372	G	96.2	Very high	90	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.			trans	92.9	-158.2	-174	0	0	0	0	0	112.1	F356 A385 V386 R409	F356-G372 CarbonylContact O-C 3.52Å; F356-G372 WeakPolarHBondContact O-CA 3.26Å; G372-A385 WeakPolarHBondContact O-CA 3.26Å; G372-V386 PolarHBondContact O-N 2.99Å; G372-R409 PolarHBondContact N-O 2.79Å
373	E	94.1	Very high	89.6	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-128.3	132.4	179.7	-74.7	168.8	-95.3	0	0	111.2	L332 S355 F356 N357 H384 T410	L332-E373 WeakPolarHBondContact CD1-O 3.49Å; S355-E373 WeakPolarHBondContact CA-O 3.33Å; F356-E373 HydrophobicContact CD1-CB 3.88Å; F356-E373 WeakPolarHBondContact CD1-O 3.48Å; F356-E373 HydrophobicContact CE1-CB 3.4Å; F356-E373 HydrophobicContact CE1-CG 4.41Å; F356-E373 HydrophobicContact CZ-CB 4.09Å; F356-E373 PolarHBondContact N-O 2.84Å; F356-E373 PolarHBondContact O-N 2.82Å; N357-E373 PolarHBondContact ND2-OE1 2.97Å; E373-H384 VanDerWaalsContact CA-O 3.32Å; E373-H384 WeakPolarHBondContact CA-O 3.26Å; E373-T410 HydrophobicContact CG-CG2 4.01Å; E373-T410 WeakPolarHBondContact OE1-CG2 3.44Å; E373-T410 PolarHBondContact OE1-OG1 2.96Å
374	D	92.1	Very high	89.5	Confident	54 Å²	54	48.5 Å²	48.5	29%	0.289	25%	0.254	S	S	.	.	S	Bend	trans	-88.4	-9.6	-178	72.7	-2.9	0	0	0	113.9	L332 K354 H384 V386	L332-D374 VanDerWaalsContact CD1-O 3.25Å; L332-D374 WeakPolarHBondContact CD1-O 3.5Å; K354-D374 VanDerWaalsContact CE-O 3.31Å; K354-D374 WeakPolarHBondContact CE-O 3.07Å; D374-H384 PolarHBondContact N-O 3.49Å; D374-H384 WeakPolarHBondContact OD1-CB 3.33Å; D374-H384 IonicContact OD1-CG 2.8Å; D374-H384 IonicContact OD1-ND1 3.71Å; D374-V386 HydrophobicContact CB-CG1 3.93Å
375	Q	89.6	Confident	89.6	Confident	93 Å²	93	46 Å²	46	44%	0.435	24%	0.241	S	C	.	.	S	Bend	trans	-146.2	147.5	177.8	-65.4	171.2	55.1	0	0	109.6	H384	Q375-H384 HydrophobicContact CB-CB 4Å; Q375-H384 PolarHBondContact NE2-ND1 2.96Å; Q375-H384 PolarHBondContact OE1-CE1 2.72Å; Q375-H384 VanDerWaalsContact OE1-CE1 3.26Å
376	N	82.5	Confident	89.8	Confident	85 Å²	85	45.3 Å²	45.3	46%	0.455	23%	0.23	S	C	.	.			trans	-80.4	123.7	175.7	-174	54.7	0	0	0	110
377	D	78.3	Confident	89.9	Confident	28 Å²	28	46.3 Å²	46.3	15%	0.15	24%	0.237	C	C	.	.			trans	-100.3	114.5	171.5	178	10.3	0	0	0	110.1	R379 N380 Q381	D377-R379 PolarHBondContact O-N 3.06Å; D377-R379 VanDerWaalsContact O-N 3.13Å; D377-R379 PolarHBondContact OD1-N 2.85Å; D377-N380 PolarHBondContact O-N 2.98Å; D377-Q381 WeakPolarHBondContact OD2-CA 3.21Å; D377-Q381 WeakPolarHBondContact OD2-CB 3.14Å; D377-Q381 PolarHBondContact OD2-N 3.03Å
378	A	72.8	Confident	89.8	Confident	101 Å²	101	49.4 Å²	49.4	84%	0.835	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24	178.4	0	0	0	0	0	113.3
379	R	72.5	Confident	89.8	Confident	193 Å²	193	49.4 Å²	49.4	73%	0.728	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-4.1	177.1	-61.4	-176.7	-179.4	-179.1	-0.1	113	D377 Q381	D377-R379 PolarHBondContact O-N 3.06Å; D377-R379 VanDerWaalsContact O-N 3.13Å; D377-R379 PolarHBondContact OD1-N 2.85Å; R379-Q381 HydrophobicContact CB-CG 3.81Å; R379-Q381 PolarHBondContact O-N 2.78Å
380	N	76.1	Confident	89.7	Confident	66 Å²	66	49.7 Å²	49.7	35%	0.353	26%	0.255	S	S	.	.			trans	49.1	43.5	-178.8	-162.5	13.4	0	0	0	112.8	D377 A382 R427	D377-N380 PolarHBondContact O-N 2.98Å; N380-A382 VanDerWaalsContact C-N 3.31Å; N380-R427 VanDerWaalsContact O-CZ 3.28Å; N380-R427 PolarHBondContact O-NH1 2.7Å; N380-R427 PolarHBondContact O-NH2 3.46Å
381	Q	81.3	Confident	89.7	Confident	100 Å²	100	50 Å²	50	47%	0.467	26%	0.257	S	S	.	.			trans	-90.4	3.4	-179.6	-64	-177.8	-10.8	0	0	112.3	D377 R379 K383 R427	D377-Q381 WeakPolarHBondContact OD2-CA 3.21Å; D377-Q381 WeakPolarHBondContact OD2-CB 3.14Å; D377-Q381 PolarHBondContact OD2-N 3.03Å; R379-Q381 HydrophobicContact CB-CG 3.81Å; R379-Q381 PolarHBondContact O-N 2.78Å; Q381-K383 PolarHBondContact O-N 2.98Å; Q381-R427 VanDerWaalsContact C-NH2 3.29Å; Q381-R427 VanDerWaalsContact CA-NH2 3.34Å; Q381-R427 PolarHBondContact O-NH2 3.05Å
382	A	87.9	Confident	89.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.008	26%	0.255	C	S	.	.			trans	55.2	29.1	-176.3	0	0	0	0	0	113.3	N380 H384 A385 T410 R427 N428 S429	N380-A382 VanDerWaalsContact C-N 3.31Å; A382-H384 PolarHBondContact O-N 2.84Å; A382-A385 WeakPolarHBondContact O-CB 3.04Å; A382-A385 PolarHBondContact O-N 2.99Å; A382-T410 HydrophobicContact CB-CG2 3.52Å; A382-R427 HydrophobicContact CB-CG 3.82Å; A382-N428 CarbonylContact O-C 3.53Å; A382-S429 PolarHBondContact O-N 2.82Å
383	K	89.3	Confident	89.6	Confident	146 Å²	146	50.2 Å²	50.2	64%	0.635	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.3	179.2	-173.7	179.6	179	-175.6	0	112.6	Q381	Q381-K383 PolarHBondContact O-N 2.98Å
384	H	93.5	Very high	89.6	Confident	45 Å²	45	50.4 Å²	50.4	21%	0.208	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	18.5	-176.5	-66.4	-79.8	0	0	0	112.8	E373 D374 Q375 A382 V386	E373-H384 VanDerWaalsContact CA-O 3.32Å; E373-H384 WeakPolarHBondContact CA-O 3.26Å; D374-H384 PolarHBondContact N-O 3.49Å; D374-H384 WeakPolarHBondContact OD1-CB 3.33Å; D374-H384 IonicContact OD1-CG 2.8Å; D374-H384 IonicContact OD1-ND1 3.71Å; Q375-H384 HydrophobicContact CB-CB 4Å; Q375-H384 PolarHBondContact NE2-ND1 2.96Å; Q375-H384 PolarHBondContact OE1-CE1 2.72Å; Q375-H384 VanDerWaalsContact OE1-CE1 3.26Å; A382-H384 PolarHBondContact O-N 2.84Å; H384-V386 PolarHBondContact O-N 3.4Å
385	A	96.6	Very high	89.5	Confident	5 Å²	5	49.5 Å²	49.5	4%	0.041	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-59.6	136.8	172.2	0	0	0	0	0	110.3	G372 A382 K408 T410 N428	G372-A385 WeakPolarHBondContact O-CA 3.26Å; A382-A385 WeakPolarHBondContact O-CB 3.04Å; A382-A385 PolarHBondContact O-N 2.99Å; A385-K408 HydrophobicContact CB-CB 4.2Å; A385-K408 WeakPolarHBondContact O-CD 3.49Å; A385-T410 HydrophobicContact CB-CG2 4.26Å; A385-N428 HydrophobicContact CB-CB 4.1Å
386	V	97.1	Very high	89.5	Confident	19 Å²	19	47.7 Å²	47.7	12%	0.115	24%	0.241	C	C	.	.			trans	-115.4	162.3	179.3	-63.2	0	0	0	0	111.8	G371 G372 D374 H384 N388 R409	G371-V386 WeakPolarHBondContact CA-O 3.42Å; G372-V386 PolarHBondContact O-N 2.99Å; D374-V386 HydrophobicContact CB-CG1 3.93Å; H384-V386 PolarHBondContact O-N 3.4Å; V386-N388 HydrophobicContact CG2-CB 4.33Å; V386-R409 PolarHBondContact O-N 3.29Å
387	S	97.8	Very high	90	Very high	21 Å²	21	47.9 Å²	47.9	15%	0.147	24%	0.242	C	C	.	.			trans	-109.5	8.4	173.6	56.6	0	0	0	0	112.8	F389 N404 M405	S387-F389 PolarHBondContact O-N 3.01Å; S387-N404 WeakPolarHBondContact O-CA 3.28Å; S387-N404 WeakPolarHBondContact O-CB 3.33Å; S387-M405 VanDerWaalsContact CB-O 3.29Å; S387-M405 WeakPolarHBondContact CB-O 3.45Å; S387-M405 PolarHBondContact O-N 2.84Å
388	N	96.5	Very high	90.8	Very high	66 Å²	66	49.8 Å²	49.8	35%	0.353	26%	0.255	S	S	.	.			trans	-54.4	136.6	-177.7	-70.5	23.4	0	0	0	110.7	A370 G371 V386 N404	A370-N388 WeakPolarHBondContact CA-O 3.34Å; G371-N388 PolarHBondContact N-O 2.83Å; V386-N388 HydrophobicContact CG2-CB 4.33Å; N388-N404 WeakPolarHBondContact CA-OD1 3.46Å
389	F	97.7	Very high	91.9	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	123.4	176.2	-172	-132.1	0	0	0	109.9	Y368 V369 A370 S387 L402 L421 Y439 W446	Y368-F389 HydrophobicContact CD1-CE1 4.12Å; Y368-F389 AromaticContact CD1-CE2 3.8Å; Y368-F389 HydrophobicContact CD1-CE2 3.8Å; Y368-F389 AromaticContact CD1-CZ 3.29Å; Y368-F389 HydrophobicContact CD1-CZ 3.29Å; Y368-F389 HydrophobicContact CE1-CE1 4.39Å; Y368-F389 AromaticContact CE1-CZ 3.91Å; Y368-F389 HydrophobicContact CE1-CZ 3.91Å; Y368-F389 HydrophobicContact CG-CE2 4.37Å; Y368-F389 HydrophobicContact CG-CZ 4.15Å; V369-F389 WeakPolarHBondContact O-CD2 3.38Å; A370-F389 HydrophobicContact CB-CD2 3.61Å; A370-F389 HydrophobicContact CB-CE2 3.99Å; S387-F389 PolarHBondContact O-N 3.01Å; F389-L402 HydrophobicContact CD1-CB 3.52Å; F389-L402 HydrophobicContact CD1-CD1 3.8Å; F389-L402 HydrophobicContact CD1-CG 4.29Å; F389-L402 HydrophobicContact CE1-CB 4.01Å; F389-L402 HydrophobicContact CE1-CD1 3.42Å; F389-L402 VanDerWaalsContact CE1-CD1 3.42Å; F389-L402 HydrophobicContact CE1-CG 4.37Å; F389-L402 HydrophobicContact CG-CB 4.3Å; F389-L402 HydrophobicContact CZ-CD1 4.02Å; F389-L402 PolarHBondContact O-N 3.28Å; F389-L421 HydrophobicContact CZ-CD1 3.75Å; F389-Y439 HydrophobicContact CD1-CD2 4.16Å; F389-Y439 HydrophobicContact CD1-CE2 4.16Å; F389-Y439 AromaticContact CE1-CD1 3.75Å; F389-Y439 HydrophobicContact CE1-CD1 3.75Å; F389-Y439 AromaticContact CE1-CD2 3.77Å; F389-Y439 HydrophobicContact CE1-CD2 3.77Å; F389-Y439 AromaticContact CE1-CE1 3.8Å; F389-Y439 HydrophobicContact CE1-CE1 3.8Å; F389-Y439 AromaticContact CE1-CE2 3.83Å; F389-Y439 HydrophobicContact CE1-CE2 3.83Å; F389-Y439 AromaticContact CE1-CG 3.72Å; F389-Y439 HydrophobicContact CE1-CG 3.72Å; F389-Y439 AromaticContact CE1-CZ 3.85Å; F389-Y439 HydrophobicContact CZ-CD1 4.25Å; F389-Y439 HydrophobicContact CZ-CE1 4.48Å; F389-Y439 HydrophobicContact CZ-CG 4.42Å; F389-W446 AromaticContact CD1-CZ2 3.7Å; F389-W446 HydrophobicContact CD1-CZ2 3.7Å; F389-W446 AromaticContact CD1-NE1 3.78Å; F389-W446 HydrophobicContact CD2-CZ2 4.09Å; F389-W446 AromaticContact CE1-CZ2 3.81Å; F389-W446 HydrophobicContact CE1-CZ2 3.81Å; F389-W446 HydrophobicContact CE2-CZ2 4.19Å; F389-W446 AromaticContact CG-CZ2 3.87Å; F389-W446 HydrophobicContact CG-CZ2 3.87Å; F389-W446 HydrophobicContact CZ-CZ2 4.07Å
390	C	97.3	Very high	93	Very high	13 Å²	13	40.1 Å²	40.1	9%	0.088	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.8	-177.8	60	0	0	0	0	111.4	Y368 V369 W399 I400	Y368-C390 WeakPolarHBondContact CA-O 3.41Å; V369-C390 PolarHBondContact N-O 2.92Å; V369-C390 PolarHBondContact O-N 3.33Å; C390-W399 HydrophobicContact CB-CE3 4.09Å; C390-W399 HydrophobicContact CB-CZ3 4.27Å; C390-W399 WeakPolarHBondContact SG-CZ3 3.49Å; C390-I400 WeakPolarHBondContact CA-O 3.36Å; C390-I400 WeakPolarHBondContact CB-O 3.48Å
391	R	97	Very high	94	Very high	8 Å²	8	42.7 Å²	42.7	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.4	-179.2	-173.5	-172.1	77.6	179.2	2.8	109.7	P298 N302 F366 L367 Y368 W399 I400 L402	P298-R391 PolarHBondContact O-NH1 2.98Å; P298-R391 PolarHBondContact O-NH2 2.95Å; N302-R391 PolarHBondContact OD1-NH1 2.87Å; F366-R391 HydrophobicContact CB-CG 3.63Å; F366-R391 HydrophobicContact CD1-CG 4.12Å; F366-R391 HydrophobicContact CG-CG 4.09Å; L367-R391 CarbonylContact O-C 3.52Å; L367-R391 VanDerWaalsContact O-CA 3.3Å; L367-R391 WeakPolarHBondContact O-CA 3.44Å; Y368-R391 HydrophobicContact CD1-CB 3.9Å; Y368-R391 HydrophobicContact CD1-CG 3.91Å; Y368-R391 HydrophobicContact CD2-CG 4.36Å; Y368-R391 HydrophobicContact CE1-CB 3.85Å; Y368-R391 HydrophobicContact CE1-CG 3.64Å; Y368-R391 HydrophobicContact CE2-CG 4.06Å; Y368-R391 HydrophobicContact CG-CG 4.31Å; Y368-R391 VanDerWaalsContact OH-CD 3.27Å; Y368-R391 WeakPolarHBondContact OH-CD 3.26Å; R391-W399 WeakPolarHBondContact O-CA 3.44Å; R391-I400 HydrophobicContact CB-CG1 3.94Å; R391-I400 PolarHBondContact N-O 2.95Å; R391-I400 VanDerWaalsContact NH2-CD1 3.25Å; R391-I400 PolarHBondContact O-N 2.82Å; R391-L402 HydrophobicContact CB-CD1 3.78Å; R391-L402 HydrophobicContact CB-CG 4.32Å
392	Y	97.3	Very high	94.7	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.5	176	174.5	-111.1	0	0	0	110.7	L348 F366 L367 P394 N397 T398 W399	L348-Y392 HydrophobicContact CD2-CE1 3.9Å; L348-Y392 HydrophobicContact CG-CE1 4.21Å; F366-Y392 WeakPolarHBondContact CA-O 3.35Å; L367-Y392 HydrophobicContact CB-CD1 4.22Å; L367-Y392 HydrophobicContact CD2-CD1 4.28Å; L367-Y392 PolarHBondContact N-O 3.02Å; L367-Y392 PolarHBondContact O-N 2.92Å; Y392-P394 HydrophobicContact CE1-CB 3.95Å; Y392-N397 HydrophobicContact CE2-CB 4.48Å; Y392-N397 VanDerWaalsContact CE2-OD1 3.28Å; Y392-N397 WeakPolarHBondContact CE2-OD1 3.21Å; Y392-N397 PolarHBondContact OH-OD1 3.41Å; Y392-T398 WeakPolarHBondContact CA-O 3.4Å; Y392-T398 WeakPolarHBondContact CD2-O 3.33Å; Y392-W399 AromaticContact CD2-CD1 3.84Å; Y392-W399 AromaticContact CD2-CD2 3.91Å; Y392-W399 HydrophobicContact CD2-CD2 3.91Å; Y392-W399 AromaticContact CD2-CE2 3.5Å; Y392-W399 HydrophobicContact CD2-CG 4.14Å; Y392-W399 AromaticContact CD2-CZ2 3.97Å; Y392-W399 HydrophobicContact CD2-CZ2 3.97Å; Y392-W399 AromaticContact CD2-NE1 3.42Å; Y392-W399 AromaticContact CE2-NE1 3.92Å; Y392-W399 HydrophobicContact CG-CD2 4.31Å; Y392-W399 AromaticContact CG-CE2 3.94Å; Y392-W399 HydrophobicContact CG-CH2 4.34Å; Y392-W399 AromaticContact CG-CZ2 3.99Å; Y392-W399 HydrophobicContact CG-CZ2 3.99Å
393	D	94.9	Very high	95.2	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.032	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.6	172.6	-169	-22.7	0	0	0	110.4	F366 R395 F396 N397 T398	F366-D393 HydrophobicContact CD1-CB 3.94Å; F366-D393 HydrophobicContact CE1-CB 3.97Å; F366-D393 WeakPolarHBondContact CE1-OD2 3.2Å; D393-R395 PolarHBondContact O-N 3.37Å; D393-R395 VanDerWaalsContact OD1-CB 3.22Å; D393-R395 WeakPolarHBondContact OD1-CB 3.48Å; D393-R395 WeakPolarHBondContact OD1-CG 3.28Å; D393-R395 IonicContact OD1-CZ 3.82Å; D393-R395 PolarHBondContact OD1-N 3.08Å; D393-R395 IonicContact OD1-NE 3.16Å; D393-R395 PolarHBondContact OD1-NE 3.02Å; D393-R395 IonicContact OD1-NH2 3.98Å; D393-R395 PolarHBondContact OD1-NH2 3.18Å; D393-R395 IonicContact OD2-CZ 2.72Å; D393-R395 IonicContact OD2-NE 3.8Å; D393-R395 PolarHBondContact OD2-NE 3.44Å; D393-R395 IonicContact OD2-NH2 3.67Å; D393-R395 PolarHBondContact OD2-NH2 3.39Å; D393-F396 PolarHBondContact O-N 3.22Å; D393-F396 WeakPolarHBondContact OD2-CD2 3.4Å; D393-N397 WeakPolarHBondContact O-CA 3.43Å; D393-N397 PolarHBondContact O-N 2.96Å; D393-T398 PolarHBondContact N-O 2.93Å; D393-T398 PolarHBondContact O-N 3.05Å
394	P	93.2	Very high	95.6	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.039	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.4	-179.7	30.9	-38.1	0	0	0	113.8	I311 G365 Y392 I612 M614	I311-P394 HydrophobicContact CD1-CG 4.29Å; G365-P394 VanDerWaalsContact O-CD 3.27Å; G365-P394 WeakPolarHBondContact O-CD 3.44Å; G365-P394 WeakPolarHBondContact O-CG 3.35Å; Y392-P394 HydrophobicContact CE1-CB 3.95Å; P394-I612 HydrophobicContact CB-CD1 4.25Å; P394-I612 HydrophobicContact CG-CD1 3.77Å; P394-I612 HydrophobicContact CG-CG1 4.16Å; P394-M614 HydrophobicContact CB-CE 3.7Å; P394-M614 HydrophobicContact CB-SD 3.36Å; P394-M614 WeakPolarHBondContact CB-SD 3.49Å; P394-M614 HydrophobicContact CG-SD 4.47Å
395	R	90.2	Very high	95.8	Very high	34 Å²	34	34.6 Å²	34.6	13%	0.128	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-39.7	180	-63.4	168.9	-69.1	-149.5	-1.2	111.5	Y294 T309 I311 D393	Y294-R395 PolarHBondContact OH-NH1 3.17Å; Y294-R395 PolarHBondContact OH-NH2 3.33Å; T309-R395 PolarHBondContact O-NH1 3.25Å; I311-R395 HydrophobicContact CD1-CG 3.74Å; I311-R395 HydrophobicContact CG1-CG 3.54Å; D393-R395 PolarHBondContact O-N 3.37Å; D393-R395 VanDerWaalsContact OD1-CB 3.22Å; D393-R395 WeakPolarHBondContact OD1-CB 3.48Å; D393-R395 WeakPolarHBondContact OD1-CG 3.28Å; D393-R395 IonicContact OD1-CZ 3.82Å; D393-R395 PolarHBondContact OD1-N 3.08Å; D393-R395 IonicContact OD1-NE 3.16Å; D393-R395 PolarHBondContact OD1-NE 3.02Å; D393-R395 IonicContact OD1-NH2 3.98Å; D393-R395 PolarHBondContact OD1-NH2 3.18Å; D393-R395 IonicContact OD2-CZ 2.72Å; D393-R395 IonicContact OD2-NE 3.8Å; D393-R395 PolarHBondContact OD2-NE 3.44Å; D393-R395 IonicContact OD2-NH2 3.67Å; D393-R395 PolarHBondContact OD2-NH2 3.39Å
396	F	90.8	Very high	95.9	Very high	56 Å²	56	39.2 Å²	39.2	25%	0.246	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-2.9	-174.1	-51.7	-63.1	0	0	0	112.8	T262 H295 D393 T398	T262-F396 WeakPolarHBondContact O-CE1 3.35Å; H295-F396 AromaticContact CE1-CE2 3.96Å; H295-F396 AromaticContact CE1-CZ 3.57Å; D393-F396 PolarHBondContact O-N 3.22Å; D393-F396 WeakPolarHBondContact OD2-CD2 3.4Å; F396-T398 VanDerWaalsContact C-N 3.32Å; F396-T398 HydrophobicContact CB-CG2 4.03Å; F396-T398 PolarHBondContact O-N 3.28Å
397	N	92.8	Very high	95.9	Very high	88 Å²	88	41.3 Å²	41.3	47%	0.471	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	50.3	-171.8	-173.8	22.9	0	0	0	111.6	S349 Y392 D393	S349-N397 WeakPolarHBondContact CB-OD1 3.43Å; S349-N397 PolarHBondContact OG-OD1 3.13Å; Y392-N397 HydrophobicContact CE2-CB 4.48Å; Y392-N397 VanDerWaalsContact CE2-OD1 3.28Å; Y392-N397 WeakPolarHBondContact CE2-OD1 3.21Å; Y392-N397 PolarHBondContact OH-OD1 3.41Å; D393-N397 WeakPolarHBondContact O-CA 3.43Å; D393-N397 PolarHBondContact O-N 2.96Å
398	T	94	Very high	95.9	Very high	68 Å²	68	45.8 Å²	45.8	42%	0.417	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.8	-177.3	54.7	0	0	0	0	111.8	Y392 D393 F396	Y392-T398 WeakPolarHBondContact CA-O 3.4Å; Y392-T398 WeakPolarHBondContact CD2-O 3.33Å; D393-T398 PolarHBondContact N-O 2.93Å; D393-T398 PolarHBondContact O-N 3.05Å; F396-T398 VanDerWaalsContact C-N 3.32Å; F396-T398 HydrophobicContact CB-CG2 4.03Å; F396-T398 PolarHBondContact O-N 3.28Å
399	W	96.9	Very high	96	Very high	49 Å²	49	42.7 Å²	42.7	19%	0.186	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143	175.4	-72.8	91.6	0	0	0	110.5	I336 S349 E350 M351 P352 V369 C390 R391 Y392	I336-W399 HydrophobicContact CD1-CH2 3.49Å; I336-W399 VanDerWaalsContact CD1-CH2 3.49Å; I336-W399 HydrophobicContact CD1-CZ2 3.28Å; I336-W399 HydrophobicContact CG1-CZ2 4.26Å; S349-W399 PolarHBondContact OG-NE1 3.36Å; E350-W399 PolarHBondContact O-NE1 3.09Å; M351-W399 HydrophobicContact CG-CH2 4.07Å; M351-W399 HydrophobicContact CG-CZ2 4.24Å; P352-W399 HydrophobicContact CG-CB 3.98Å; P352-W399 HydrophobicContact CG-CD2 4.04Å; P352-W399 HydrophobicContact CG-CE3 4.1Å; P352-W399 HydrophobicContact CG-CG 4.01Å; V369-W399 HydrophobicContact CG2-CH2 3.83Å; V369-W399 HydrophobicContact CG2-CZ3 3.92Å; C390-W399 HydrophobicContact CB-CE3 4.09Å; C390-W399 HydrophobicContact CB-CZ3 4.27Å; C390-W399 WeakPolarHBondContact SG-CZ3 3.49Å; R391-W399 WeakPolarHBondContact O-CA 3.44Å; Y392-W399 AromaticContact CD2-CD1 3.84Å; Y392-W399 AromaticContact CD2-CD2 3.91Å; Y392-W399 HydrophobicContact CD2-CD2 3.91Å; Y392-W399 AromaticContact CD2-CE2 3.5Å; Y392-W399 HydrophobicContact CD2-CG 4.14Å; Y392-W399 AromaticContact CD2-CZ2 3.97Å; Y392-W399 HydrophobicContact CD2-CZ2 3.97Å; Y392-W399 AromaticContact CD2-NE1 3.42Å; Y392-W399 AromaticContact CE2-NE1 3.92Å; Y392-W399 HydrophobicContact CG-CD2 4.31Å; Y392-W399 AromaticContact CG-CE2 3.94Å; Y392-W399 HydrophobicContact CG-CH2 4.34Å; Y392-W399 AromaticContact CG-CZ2 3.99Å; Y392-W399 HydrophobicContact CG-CZ2 3.99Å
400	I	95.6	Very high	96	Very high	42 Å²	42	42.6 Å²	42.6	22%	0.215	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.8	165.7	65.1	168.3	0	0	0	110.3	P298 Y299 C390 R391 L402	P298-I400 HydrophobicContact CB-CD1 4.38Å; Y299-I400 HydrophobicContact CE1-CD1 4.39Å; C390-I400 WeakPolarHBondContact CA-O 3.36Å; C390-I400 WeakPolarHBondContact CB-O 3.48Å; R391-I400 HydrophobicContact CB-CG1 3.94Å; R391-I400 PolarHBondContact N-O 2.95Å; R391-I400 VanDerWaalsContact NH2-CD1 3.25Å; R391-I400 PolarHBondContact O-N 2.82Å; I400-L402 HydrophobicContact CD1-CD2 3.65Å; I400-L402 HydrophobicContact CG1-CD2 4.06Å; I400-L402 HydrophobicContact CG1-CG 4.49Å
401	H	96.1	Very high	95.9	Very high	120 Å²	120	42.8 Å²	42.8	56%	0.556	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.9	167.7	-70.8	-82.7	0	0	0	109.1
402	L	96.8	Very high	96	Very high	11 Å²	11	42.9 Å²	42.9	6%	0.058	21%	0.213	C	C	.	.			trans	-108.7	175.6	176.5	-62.6	-179.9	0	0	0	109.4	Y299 Y368 F389 R391 I400 N404 Y439	Y299-L402 HydrophobicContact CD1-CD2 3.79Å; Y299-L402 HydrophobicContact CE1-CD2 3.79Å; Y368-L402 HydrophobicContact CD1-CD1 3.92Å; Y368-L402 HydrophobicContact CE1-CD1 3.55Å; F389-L402 HydrophobicContact CD1-CB 3.52Å; F389-L402 HydrophobicContact CD1-CD1 3.8Å; F389-L402 HydrophobicContact CD1-CG 4.29Å; F389-L402 HydrophobicContact CE1-CB 4.01Å; F389-L402 HydrophobicContact CE1-CD1 3.42Å; F389-L402 VanDerWaalsContact CE1-CD1 3.42Å; F389-L402 HydrophobicContact CE1-CG 4.37Å; F389-L402 HydrophobicContact CG-CB 4.3Å; F389-L402 HydrophobicContact CZ-CD1 4.02Å; F389-L402 PolarHBondContact O-N 3.28Å; R391-L402 HydrophobicContact CB-CD1 3.78Å; R391-L402 HydrophobicContact CB-CG 4.32Å; I400-L402 HydrophobicContact CD1-CD2 3.65Å; I400-L402 HydrophobicContact CG1-CD2 4.06Å; I400-L402 HydrophobicContact CG1-CG 4.49Å; L402-N404 PolarHBondContact O-N 3.48Å; L402-Y439 HydrophobicContact CB-CE2 4.47Å; L402-Y439 HydrophobicContact CD1-CE1 4.26Å
403	A	97.4	Very high	96	Very high	21 Å²	21	43.2 Å²	43.2	17%	0.174	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-57.7	128.7	171.8	0	0	0	0	0	110.1	N444 W446	A403-N444 WeakPolarHBondContact CB-O 3.48Å; A403-N444 PolarHBondContact N-OD1 2.94Å; A403-W446 PolarHBondContact O-NE1 3.24Å
404	N	98.2	Very high	96.2	Very high	84 Å²	84	43.6 Å²	43.6	45%	0.449	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-64.9	151.6	175.9	-68.5	-28.9	0	0	0	110.4	S387 N388 L402	S387-N404 WeakPolarHBondContact O-CA 3.28Å; S387-N404 WeakPolarHBondContact O-CB 3.33Å; N388-N404 WeakPolarHBondContact CA-OD1 3.46Å; L402-N404 PolarHBondContact O-N 3.48Å
405	M	98.4	Very high	96.4	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.034	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-59.3	150.7	170.5	-66.4	179.4	-65	0	0	110.5	A370 S387 Q407 R409 F412 A423 W446	A370-M405 HydrophobicContact CB-CE 4.45Å; S387-M405 VanDerWaalsContact CB-O 3.29Å; S387-M405 WeakPolarHBondContact CB-O 3.45Å; S387-M405 PolarHBondContact O-N 2.84Å; M405-Q407 VanDerWaalsContact C-N 3.27Å; M405-Q407 VanDerWaalsContact CB-O 3.31Å; M405-Q407 WeakPolarHBondContact CB-O 3.43Å; M405-Q407 PolarHBondContact O-N 3.3Å; M405-R409 HydrophobicContact CE-CB 4.2Å; M405-R409 HydrophobicContact CE-CG 4.42Å; M405-F412 HydrophobicContact CE-CZ 4.15Å; M405-F412 HydrophobicContact SD-CE2 4.26Å; M405-F412 HydrophobicContact SD-CZ 4.36Å; M405-A423 HydrophobicContact SD-CB 3.87Å; M405-W446 HydrophobicContact CG-CD2 3.95Å; M405-W446 VanDerWaalsContact CG-CE2 3.49Å; M405-W446 HydrophobicContact CG-CE3 4.32Å; M405-W446 HydrophobicContact CG-CH2 3.89Å; M405-W446 HydrophobicContact CG-CZ2 3.47Å; M405-W446 VanDerWaalsContact CG-CZ2 3.47Å; M405-W446 HydrophobicContact CG-CZ3 4.3Å; M405-W446 HydrophobicContact SD-CH2 4.22Å; M405-W446 HydrophobicContact SD-CZ2 4.28Å
406	N	98.1	Very high	96.8	Very high	101 Å²	101	44.1 Å²	44.1	54%	0.54	22%	0.224	S	C	.	.	S	Bend	trans	-66.2	-35.4	175.3	-59.9	-78.3	0	0	0	110.6	E437 W446	N406-E437 WeakPolarHBondContact CA-OE2 3.23Å; N406-E437 WeakPolarHBondContact CB-OE2 3.5Å; N406-E437 VanDerWaalsContact CG-OE2 3.31Å; N406-E437 PolarHBondContact N-OE2 3.13Å; N406-E437 PolarHBondContact ND2-OE2 3.12Å; N406-W446 WeakPolarHBondContact ND2-CB 3.45Å
407	Q	97.8	Very high	97	Very high	63 Å²	63	43.4 Å²	43.4	29%	0.294	22%	0.221	S	C	.	.	S	Bend	trans	-103.6	140.8	174.4	-62.9	-66.7	-32.3	0	0	111.7	M405 R409 L433 E437	M405-Q407 VanDerWaalsContact C-N 3.27Å; M405-Q407 VanDerWaalsContact CB-O 3.31Å; M405-Q407 WeakPolarHBondContact CB-O 3.43Å; M405-Q407 PolarHBondContact O-N 3.3Å; Q407-R409 HydrophobicContact CB-CG 4.2Å; Q407-L433 HydrophobicContact CB-CD1 4.21Å; Q407-E437 WeakPolarHBondContact CB-OE1 3.37Å; Q407-E437 PolarHBondContact N-OE1 3.15Å; Q407-E437 VanDerWaalsContact N-OE1 3.07Å
408	K	97.9	Very high	97	Very high	116 Å²	116	46 Å²	46	50%	0.504	23%	0.234	S	C	.	.			trans	-70.6	135.8	163.4	-66.3	171.6	175.2	-172.2	0	108.7	A385 N428	A385-K408 HydrophobicContact CB-CB 4.2Å; A385-K408 WeakPolarHBondContact O-CD 3.49Å; K408-N428 HydrophobicContact CB-CB 4.32Å; K408-N428 WeakPolarHBondContact O-CB 3.32Å
409	R	97.6	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.			trans	-144.5	131.1	-173.6	-59.1	179.6	-174.5	-93.2	-2.1	112.1	G372 V386 M405 Q407 F412 G425 L433 S435 E437	G372-R409 PolarHBondContact N-O 2.79Å; V386-R409 PolarHBondContact O-N 3.29Å; M405-R409 HydrophobicContact CE-CB 4.2Å; M405-R409 HydrophobicContact CE-CG 4.42Å; Q407-R409 HydrophobicContact CB-CG 4.2Å; R409-F412 HydrophobicContact CB-CB 4.2Å; R409-F412 HydrophobicContact CB-CD1 3.56Å; R409-F412 HydrophobicContact CB-CD2 4.42Å; R409-F412 HydrophobicContact CB-CE1 3.97Å; R409-F412 HydrophobicContact CB-CG 3.83Å; R409-G425 PolarHBondContact NH1-O 2.78Å; R409-L433 HydrophobicContact CG-CD1 3.84Å; R409-S435 PolarHBondContact NH1-O 2.83Å; R409-S435 PolarHBondContact NH1-OG 2.9Å; R409-S435 PolarHBondContact NH2-O 2.84Å; R409-S435 PolarHBondContact NH2-OG 3.27Å; R409-E437 IonicContact CZ-OE1 2.66Å; R409-E437 IonicContact NE-OE1 3.21Å; R409-E437 PolarHBondContact NE-OE1 2.95Å; R409-E437 VanDerWaalsContact NE-OE1 3.17Å; R409-E437 IonicContact NH2-OE1 3.77Å; R409-E437 PolarHBondContact NH2-OE1 2.95Å
410	T	96.9	Very high	96.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-124.6	160.5	158.7	-174.1	0	0	0	0	109.1	N357 E373 A382 A385 F412 G426 R427	N357-T410 WeakPolarHBondContact CB-OG1 3.46Å; E373-T410 HydrophobicContact CG-CG2 4.01Å; E373-T410 WeakPolarHBondContact OE1-CG2 3.44Å; E373-T410 PolarHBondContact OE1-OG1 2.96Å; A382-T410 HydrophobicContact CB-CG2 3.52Å; A385-T410 HydrophobicContact CB-CG2 4.26Å; T410-F412 PolarHBondContact O-N 2.88Å; T410-F412 VanDerWaalsContact O-N 3.16Å; T410-G426 WeakPolarHBondContact O-CA 3.03Å; T410-R427 HydrophobicContact CG2-CG 3.75Å; T410-R427 PolarHBondContact N-O 2.94Å; T410-R427 PolarHBondContact O-N 3.01Å
411	H	96.8	Very high	97.1	Very high	17 Å²	17	42.2 Å²	42.2	8%	0.079	22%	0.223	C	C	.	.	S	Bend	trans	52.1	37.5	-180	-57.4	-55.8	0	0	0	114	N357 G426 C457 C458 W505	N357-H411 VanDerWaalsContact CG-CE1 3.4Å; N357-H411 PolarHBondContact ND2-CE1 3.03Å; H411-G426 WeakPolarHBondContact O-CA 3.27Å; H411-C457 HydrophobicContact CB-CB 4.38Å; H411-C458 HydrophobicContact CB-CB 4.48Å; H411-C458 PolarHBondContact O-N 3.42Å; H411-W505 AromaticContact CE1-CD1 3.72Å; H411-W505 AromaticContact CE1-NE1 3.33Å; H411-W505 PolarHBondContact CE1-NE1 2.93Å; H411-W505 VanDerWaalsContact CE1-NE1 3.33Å; H411-W505 AromaticContact ND1-CD1 3.75Å; H411-W505 AromaticContact ND1-NE1 3.62Å; H411-W505 AromaticContact NE2-NE1 3.61Å
412	F	98.4	Very high	97.2	Very high	10 Å²	10	36.7 Å²	36.7	4%	0.044	20%	0.197	C	C	.	.			trans	-102.5	-173.5	175	72.6	-74.7	0	0	0	109.4	C359 A370 M405 R409 T410 L414 A423 V424 G425	C359-F412 HydrophobicContact CB-CE1 4.23Å; C359-F412 HydrophobicContact CB-CE2 4.01Å; C359-F412 HydrophobicContact CB-CZ 3.76Å; C359-F412 PolarHBondContact SG-O 2.92Å; A370-F412 HydrophobicContact CB-CE2 4.42Å; A370-F412 HydrophobicContact CB-CZ 3.89Å; A370-F412 VanDerWaalsContact O-CZ 3.28Å; A370-F412 WeakPolarHBondContact O-CZ 3.28Å; M405-F412 HydrophobicContact CE-CZ 4.15Å; M405-F412 HydrophobicContact SD-CE2 4.26Å; M405-F412 HydrophobicContact SD-CZ 4.36Å; R409-F412 HydrophobicContact CB-CB 4.2Å; R409-F412 HydrophobicContact CB-CD1 3.56Å; R409-F412 HydrophobicContact CB-CD2 4.42Å; R409-F412 HydrophobicContact CB-CE1 3.97Å; R409-F412 HydrophobicContact CB-CG 3.83Å; T410-F412 PolarHBondContact O-N 2.88Å; T410-F412 VanDerWaalsContact O-N 3.16Å; F412-L414 HydrophobicContact CE2-CB 4.2Å; F412-A423 HydrophobicContact CD2-CB 4.07Å; F412-A423 HydrophobicContact CE2-CB 3.96Å; F412-V424 WeakPolarHBondContact CB-O 3.49Å; F412-G425 WeakPolarHBondContact CB-O 3.38Å
413	S	98.2	Very high	97.3	Very high	8 Å²	8	36.1 Å²	36.1	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.1	170.8	58.9	0	0	0	0	111.8	A423 V424 H459 S461	S413-A423 CarbonylContact O-C 3.57Å; S413-A423 WeakPolarHBondContact O-CA 3.34Å; S413-V424 PolarHBondContact N-O 3.02Å; S413-V424 PolarHBondContact O-N 2.84Å; S413-H459 PolarHBondContact OG-CD2 3.34Å; S413-H459 PolarHBondContact OG-NE2 2.82Å; S413-S461 WeakPolarHBondContact CB-OG 3.48Å; S413-S461 PolarHBondContact OG-OG 3.43Å
414	L	98.4	Very high	97.3	Very high	15 Å²	15	35.1 Å²	35.1	8%	0.079	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.7	-179.5	-174.7	71.3	0	0	0	109.7	C359 T361 A370 F412 L421 F422 A423 W446	C359-L414 HydrophobicContact CB-CB 3.49Å; C359-L414 VanDerWaalsContact CB-CB 3.49Å; C359-L414 HydrophobicContact CB-CD2 4.33Å; T361-L414 HydrophobicContact CG2-CD2 3.66Å; T361-L414 HydrophobicContact CG2-CG 4.06Å; A370-L414 HydrophobicContact CB-CD2 3.9Å; F412-L414 HydrophobicContact CE2-CB 4.2Å; L414-L421 HydrophobicContact CD1-CB 4.39Å; L414-L421 HydrophobicContact CD1-CD2 4.47Å; L414-L421 HydrophobicContact CD2-CD2 4.43Å; L414-L421 HydrophobicContact CG-CD2 4.34Å; L414-F422 WeakPolarHBondContact CA-O 3.29Å; L414-A423 HydrophobicContact CD1-CB 4.2Å; L414-W446 HydrophobicContact CD1-CH2 4.21Å
415	N	98.1	Very high	97.3	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.053	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.8	-175.5	-54.9	-90	0	0	0	111.3	L421 F422 S461 V463 I468	N415-L421 CarbonylContact O-C 3.53Å; N415-L421 WeakPolarHBondContact O-CA 3.34Å; N415-F422 PolarHBondContact N-O 2.96Å; N415-F422 PolarHBondContact O-N 2.92Å; N415-S461 PolarHBondContact ND2-OG 3.13Å; N415-S461 PolarHBondContact OD1-OG 3.37Å; N415-V463 HydrophobicContact CB-CG2 3.82Å; N415-I468 HydrophobicContact CB-CD1 4.03Å; N415-I468 HydrophobicContact CB-CG1 4.36Å; N415-I468 HydrophobicContact CB-CG2 4.38Å
416	V	96.9	Very high	97.3	Very high	41 Å²	41	30.8 Å²	30.8	25%	0.248	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.2	173.1	174.9	0	0	0	0	109.1	T361 M363 L420 L421	T361-V416 HydrophobicContact CG2-CG2 3.61Å; T361-V416 VanDerWaalsContact OG1-CG2 3.26Å; T361-V416 WeakPolarHBondContact OG1-CG2 3.26Å; M363-V416 HydrophobicContact CB-CG1 4.11Å; M363-V416 HydrophobicContact CB-CG2 3.88Å; M363-V416 HydrophobicContact CG-CG1 3.86Å; M363-V416 HydrophobicContact CG-CG2 4.45Å; M363-V416 HydrophobicContact SD-CG1 3.73Å; M363-V416 HydrophobicContact SD-CG2 4.34Å; V416-L420 WeakPolarHBondContact CA-O 3.27Å; V416-L421 HydrophobicContact CG2-CD2 3.45Å; V416-L421 VanDerWaalsContact CG2-CD2 3.45Å; V416-L421 HydrophobicContact CG2-CG 4.37Å
417	F	95.3	Very high	97.2	Very high	41 Å²	41	28.2 Å²	28.2	18%	0.18	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	126.4	171.4	175.7	-99.1	0	0	0	110.1	G419 L420 F422 V463 G466 P488	F417-G419 VanDerWaalsContact C-N 3.31Å; F417-G419 PolarHBondContact O-N 3.19Å; F417-L420 PolarHBondContact N-O 3.19Å; F417-L420 WeakPolarHBondContact O-CB 3.36Å; F417-L420 PolarHBondContact O-N 2.89Å; F417-F422 HydrophobicContact CB-CD2 4.2Å; F417-F422 HydrophobicContact CB-CE2 3.89Å; F417-F422 HydrophobicContact CD1-CE2 4.26Å; F417-V463 HydrophobicContact CD2-CG1 4.37Å; F417-G466 WeakPolarHBondContact CE2-O 3.43Å; F417-G466 WeakPolarHBondContact CZ-O 3.38Å; F417-P488 HydrophobicContact CD1-CB 3.53Å; F417-P488 HydrophobicContact CD1-CG 3.62Å; F417-P488 HydrophobicContact CE1-CB 3.69Å; F417-P488 HydrophobicContact CE1-CG 3.92Å; F417-P488 HydrophobicContact CG-CB 4.39Å; F417-P488 HydrophobicContact CG-CG 4Å
418	N	93.2	Very high	97.2	Very high	141 Å²	141	25.6 Å²	25.6	75%	0.754	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	45.5	177	-160	24.9	0	0	0	114.6	L420	N418-L420 PolarHBondContact O-N 3.04Å
419	G	93.3	Very high	97	Very high	32 Å²	32	24 Å²	24	33%	0.33	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	8.5	-179.8	0	0	0	0	0	115.2	F417 P441	F417-G419 VanDerWaalsContact C-N 3.31Å; F417-G419 PolarHBondContact O-N 3.19Å; G419-P441 WeakPolarHBondContact O-CD 3.45Å; G419-P441 WeakPolarHBondContact O-CG 3.44Å
420	L	96.3	Very high	96.8	Very high	49 Å²	49	32.1 Å²	32.1	26%	0.257	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	159.7	177.9	-54.9	177.5	0	0	0	110.7	V416 F417 N418 F422 V440	V416-L420 WeakPolarHBondContact CA-O 3.27Å; F417-L420 PolarHBondContact N-O 3.19Å; F417-L420 WeakPolarHBondContact O-CB 3.36Å; F417-L420 PolarHBondContact O-N 2.89Å; N418-L420 PolarHBondContact O-N 3.04Å; L420-F422 HydrophobicContact CB-CE2 3.77Å; L420-F422 HydrophobicContact CB-CZ 4.23Å; L420-F422 HydrophobicContact CD1-CZ 4.37Å; L420-V440 HydrophobicContact CD2-CB 4.25Å; L420-V440 HydrophobicContact CD2-CG1 4.21Å; L420-V440 HydrophobicContact CD2-CG2 4.01Å
421	L	98.1	Very high	96.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.4	-177.1	-74.2	155.2	0	0	0	110.5	T361 M363 Y368 F389 L414 N415 V416 C438 Y439	T361-L421 HydrophobicContact CG2-CD2 3.17Å; M363-L421 HydrophobicContact CE-CD1 3.66Å; M363-L421 HydrophobicContact CE-CG 3.94Å; M363-L421 HydrophobicContact SD-CG 4.19Å; Y368-L421 HydrophobicContact CD1-CD1 3.87Å; Y368-L421 HydrophobicContact CD2-CD1 4.31Å; Y368-L421 HydrophobicContact CE1-CD1 3.9Å; Y368-L421 HydrophobicContact CE2-CD1 4.4Å; Y368-L421 HydrophobicContact CG-CD1 4.02Å; F389-L421 HydrophobicContact CZ-CD1 3.75Å; L414-L421 HydrophobicContact CD1-CB 4.39Å; L414-L421 HydrophobicContact CD1-CD2 4.47Å; L414-L421 HydrophobicContact CD2-CD2 4.43Å; L414-L421 HydrophobicContact CG-CD2 4.34Å; N415-L421 CarbonylContact O-C 3.53Å; N415-L421 WeakPolarHBondContact O-CA 3.34Å; V416-L421 HydrophobicContact CG2-CD2 3.45Å; V416-L421 VanDerWaalsContact CG2-CD2 3.45Å; V416-L421 HydrophobicContact CG2-CG 4.37Å; L421-C438 CarbonylContact O-C 3.59Å; L421-C438 VanDerWaalsContact O-CA 3.26Å; L421-C438 WeakPolarHBondContact O-CA 3.38Å; L421-Y439 HydrophobicContact CD1-CD1 3.8Å; L421-Y439 HydrophobicContact CD1-CE1 4.47Å; L421-Y439 PolarHBondContact N-O 3.25Å; L421-Y439 PolarHBondContact O-N 3.47Å
422	F	98.6	Very high	96.7	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	114.7	-175.4	-66.1	-96	0	0	0	110.7	L414 N415 F417 L420 I436 E437 C438 K449 I468 Y486 P488	L414-F422 WeakPolarHBondContact CA-O 3.29Å; N415-F422 PolarHBondContact N-O 2.96Å; N415-F422 PolarHBondContact O-N 2.92Å; F417-F422 HydrophobicContact CB-CD2 4.2Å; F417-F422 HydrophobicContact CB-CE2 3.89Å; F417-F422 HydrophobicContact CD1-CE2 4.26Å; L420-F422 HydrophobicContact CB-CE2 3.77Å; L420-F422 HydrophobicContact CB-CZ 4.23Å; L420-F422 HydrophobicContact CD1-CZ 4.37Å; F422-I436 HydrophobicContact CD1-CG2 4.41Å; F422-E437 CarbonylContact C-O 3.58Å; F422-E437 WeakPolarHBondContact CA-O 3.36Å; F422-C438 HydrophobicContact CD1-CB 3.94Å; F422-C438 HydrophobicContact CE1-CB 3.74Å; F422-C438 HydrophobicContact CZ-CB 4.33Å; F422-K449 HydrophobicContact CE1-CG 4.37Å; F422-I468 HydrophobicContact CB-CD1 3.58Å; F422-I468 HydrophobicContact CD1-CD1 4.33Å; F422-I468 HydrophobicContact CD2-CD1 3.97Å; F422-I468 HydrophobicContact CG-CD1 3.7Å; F422-Y486 AromaticContact CD1-CE1 3.9Å; F422-Y486 HydrophobicContact CD1-CE1 3.9Å; F422-Y486 AromaticContact CE1-CE1 3.86Å; F422-Y486 HydrophobicContact CE1-CE1 3.86Å; F422-P488 HydrophobicContact CE1-CB 4.08Å; F422-P488 HydrophobicContact CE2-CB 4.28Å; F422-P488 HydrophobicContact CZ-CB 3.71Å; F422-P488 HydrophobicContact CZ-CG 4.42Å
423	A	98.7	Very high	96.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.7	172.6	0	0	0	0	0	109.5	M405 F412 S413 L414 I436 E437 W446	M405-A423 HydrophobicContact SD-CB 3.87Å; F412-A423 HydrophobicContact CD2-CB 4.07Å; F412-A423 HydrophobicContact CE2-CB 3.96Å; S413-A423 CarbonylContact O-C 3.57Å; S413-A423 WeakPolarHBondContact O-CA 3.34Å; L414-A423 HydrophobicContact CD1-CB 4.2Å; A423-I436 VanDerWaalsContact O-CA 3.28Å; A423-I436 WeakPolarHBondContact O-CA 3.48Å; A423-E437 PolarHBondContact N-O 3.49Å; A423-E437 PolarHBondContact O-N 3.41Å; A423-W446 HydrophobicContact CB-CH2 4.12Å; A423-W446 HydrophobicContact CB-CZ3 3.81Å
424	V	98.7	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.1	-171.2	-177.9	0	0	0	0	110.9	F412 S413 I436 L452 H459 V470 W493	F412-V424 WeakPolarHBondContact CB-O 3.49Å; S413-V424 PolarHBondContact N-O 3.02Å; S413-V424 PolarHBondContact O-N 2.84Å; V424-I436 HydrophobicContact CB-CG1 4.18Å; V424-I436 HydrophobicContact CG1-CG1 3.86Å; V424-I436 HydrophobicContact CG2-CG1 4.1Å; V424-I436 HydrophobicContact CG2-CG2 4.14Å; V424-L452 HydrophobicContact CG1-CD1 4.05Å; V424-L452 HydrophobicContact CG1-CG 4.43Å; V424-H459 PolarHBondContact O-CE1 2.94Å; V424-H459 PolarHBondContact O-NE2 2.84Å; V424-H459 VanDerWaalsContact O-NE2 3.15Å; V424-V470 HydrophobicContact CG1-CG2 4.08Å; V424-W493 HydrophobicContact CG1-CH2 4.04Å; V424-W493 HydrophobicContact CG1-CZ2 4.42Å
425	G	98.3	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.216	C	C	.	.			trans	57.7	-140.9	171.2	0	0	0	0	0	114.3	R409 F412 L433 S435	R409-G425 PolarHBondContact NH1-O 2.78Å; F412-G425 WeakPolarHBondContact CB-O 3.38Å; G425-L433 WeakPolarHBondContact CA-O 3.22Å; G425-S435 PolarHBondContact N-O 3.01Å; G425-S435 VanDerWaalsContact N-O 3.1Å
426	G	97.9	Very high	96.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.213	C	C	.	.			trans	99.3	-159.1	-176.3	0	0	0	0	0	112.4	T410 H411 C432 L433 R456 C457	T410-G426 WeakPolarHBondContact O-CA 3.03Å; H411-G426 WeakPolarHBondContact O-CA 3.27Å; G426-C432 CarbonylContact O-C 3.53Å; G426-C432 WeakPolarHBondContact O-CA 3.38Å; G426-L433 PolarHBondContact O-N 2.88Å; G426-R456 PolarHBondContact N-O 3.28Å; G426-C457 VanDerWaalsContact C-CB 3.5Å; G426-C457 WeakPolarHBondContact O-CB 3.4Å
427	R	96.6	Very high	96.8	Very high	47 Å²	47	34.6 Å²	34.6	18%	0.177	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.7	177.3	63.1	177.7	-63.1	-169.2	-3.3	112.5	N380 Q381 A382 T410 G431 C457	N380-R427 VanDerWaalsContact O-CZ 3.28Å; N380-R427 PolarHBondContact O-NH1 2.7Å; N380-R427 PolarHBondContact O-NH2 3.46Å; Q381-R427 VanDerWaalsContact C-NH2 3.29Å; Q381-R427 VanDerWaalsContact CA-NH2 3.34Å; Q381-R427 PolarHBondContact O-NH2 3.05Å; A382-R427 HydrophobicContact CB-CG 3.82Å; T410-R427 HydrophobicContact CG2-CG 3.75Å; T410-R427 PolarHBondContact N-O 2.94Å; T410-R427 PolarHBondContact O-N 3.01Å; R427-G431 CarbonylContact C-O 3.56Å; R427-G431 WeakPolarHBondContact CA-O 3.48Å; R427-G431 VanDerWaalsContact CB-O 3.23Å; R427-G431 WeakPolarHBondContact CB-O 3.34Å; R427-C457 HydrophobicContact CB-CB 3.87Å; R427-C457 HydrophobicContact CG-CB 3.97Å
428	N	96.5	Very high	96.9	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.043	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	-163.1	170.4	63.7	21.1	0	0	0	109.7	A382 A385 K408 E430 G431	A382-N428 CarbonylContact O-C 3.53Å; A385-N428 HydrophobicContact CB-CB 4.1Å; K408-N428 HydrophobicContact CB-CB 4.32Å; K408-N428 WeakPolarHBondContact O-CB 3.32Å; N428-E430 PolarHBondContact O-N 3.1Å; N428-E430 WeakPolarHBondContact OD1-CA 3.28Å; N428-E430 WeakPolarHBondContact OD1-CB 3.27Å; N428-E430 PolarHBondContact OD1-N 2.87Å; N428-G431 PolarHBondContact N-O 3.2Å; N428-G431 PolarHBondContact O-N 2.87Å; N428-G431 PolarHBondContact OD1-N 3.39Å
429	S	94.4	Very high	97.2	Very high	83 Å²	83	26 Å²	26	58%	0.58	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20.9	178.6	53	0	0	0	0	114.7	A382	A382-S429 PolarHBondContact O-N 2.82Å
430	E	94	Very high	97.3	Very high	170 Å²	170	25.7 Å²	25.7	79%	0.794	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-15.5	-179.5	-57.5	-178.1	167.7	0	0	112.4	N428	N428-E430 PolarHBondContact O-N 3.1Å; N428-E430 WeakPolarHBondContact OD1-CA 3.28Å; N428-E430 WeakPolarHBondContact OD1-CB 3.27Å; N428-E430 PolarHBondContact OD1-N 2.87Å
431	G	94.4	Very high	97.1	Very high	26 Å²	26	23.6 Å²	23.6	27%	0.268	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	129.5	-156.5	177.8	0	0	0	0	0	113.3	R427 N428	R427-G431 CarbonylContact C-O 3.56Å; R427-G431 WeakPolarHBondContact CA-O 3.48Å; R427-G431 VanDerWaalsContact CB-O 3.23Å; R427-G431 WeakPolarHBondContact CB-O 3.34Å; N428-G431 PolarHBondContact N-O 3.2Å; N428-G431 PolarHBondContact O-N 2.87Å; N428-G431 PolarHBondContact OD1-N 3.39Å
432	C	96.8	Very high	96.7	Very high	53 Å²	53	25.5 Å²	25.5	36%	0.358	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	144.8	177.1	-65.1	0	0	0	0	110.8	G426 P455	G426-C432 CarbonylContact O-C 3.53Å; G426-C432 WeakPolarHBondContact O-CA 3.38Å; C432-P455 HydrophobicContact CB-CB 3.84Å; C432-P455 WeakPolarHBondContact O-CB 3.44Å
433	L	98.1	Very high	96.5	Very high	18 Å²	18	29.1 Å²	29.1	9%	0.094	18%	0.177	C	C	.	.			trans	-106.5	139.4	-177.8	-60.5	172.1	0	0	0	110.5	Q407 R409 G425 G426 P455 R456	Q407-L433 HydrophobicContact CB-CD1 4.21Å; R409-L433 HydrophobicContact CG-CD1 3.84Å; G425-L433 WeakPolarHBondContact CA-O 3.22Å; G426-L433 PolarHBondContact O-N 2.88Å; L433-P455 WeakPolarHBondContact O-CA 3.43Å; L433-R456 PolarHBondContact O-N 2.98Å
434	S	97.9	Very high	96.4	Very high	39 Å²	39	30.4 Å²	30.4	27%	0.273	18%	0.184	S	C	.	.			trans	-97.5	-15.4	166.3	50.4	0	0	0	0	112.8	P451 L452	S434-P451 WeakPolarHBondContact O-CA 3.22Å; S434-L452 VanDerWaalsContact CB-O 3.27Å; S434-L452 WeakPolarHBondContact CB-O 3.47Å; S434-L452 PolarHBondContact O-N 2.86Å
435	S	98.4	Very high	96.3	Very high	16 Å²	16	35.7 Å²	35.7	11%	0.112	21%	0.208	C	C	.	.			trans	-64.9	142.7	-174.2	48	0	0	0	0	112.6	R409 G425	R409-S435 PolarHBondContact NH1-O 2.83Å; R409-S435 PolarHBondContact NH1-OG 2.9Å; R409-S435 PolarHBondContact NH2-O 2.84Å; R409-S435 PolarHBondContact NH2-OG 3.27Å; G425-S435 PolarHBondContact N-O 3.01Å; G425-S435 VanDerWaalsContact N-O 3.1Å
436	I	98.4	Very high	96.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.9	165.9	-61.5	111.6	0	0	0	108.9	F422 A423 V424 K449 A450 L452 W493	F422-I436 HydrophobicContact CD1-CG2 4.41Å; A423-I436 VanDerWaalsContact O-CA 3.28Å; A423-I436 WeakPolarHBondContact O-CA 3.48Å; V424-I436 HydrophobicContact CB-CG1 4.18Å; V424-I436 HydrophobicContact CG1-CG1 3.86Å; V424-I436 HydrophobicContact CG2-CG1 4.1Å; V424-I436 HydrophobicContact CG2-CG2 4.14Å; I436-K449 HydrophobicContact CB-CB 4.18Å; I436-K449 HydrophobicContact CG2-CB 4.03Å; I436-K449 PolarHBondContact O-N 3.44Å; I436-A450 WeakPolarHBondContact CD1-O 3.44Å; I436-L452 HydrophobicContact CD1-CG 4.16Å; I436-W493 HydrophobicContact CD1-CH2 4.38Å; I436-W493 HydrophobicContact CD1-CZ2 3.24Å; I436-W493 HydrophobicContact CG1-CZ2 3.89Å
437	E	98.3	Very high	96.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.8	176.5	-58.5	178.9	-115.8	0	0	109.8	N406 Q407 R409 F422 A423 W446 Q447 M448	N406-E437 WeakPolarHBondContact CA-OE2 3.23Å; N406-E437 WeakPolarHBondContact CB-OE2 3.5Å; N406-E437 VanDerWaalsContact CG-OE2 3.31Å; N406-E437 PolarHBondContact N-OE2 3.13Å; N406-E437 PolarHBondContact ND2-OE2 3.12Å; Q407-E437 WeakPolarHBondContact CB-OE1 3.37Å; Q407-E437 PolarHBondContact N-OE1 3.15Å; Q407-E437 VanDerWaalsContact N-OE1 3.07Å; R409-E437 IonicContact CZ-OE1 2.66Å; R409-E437 IonicContact NE-OE1 3.21Å; R409-E437 PolarHBondContact NE-OE1 2.95Å; R409-E437 VanDerWaalsContact NE-OE1 3.17Å; R409-E437 IonicContact NH2-OE1 3.77Å; R409-E437 PolarHBondContact NH2-OE1 2.95Å; F422-E437 CarbonylContact C-O 3.58Å; F422-E437 WeakPolarHBondContact CA-O 3.36Å; A423-E437 PolarHBondContact N-O 3.49Å; A423-E437 PolarHBondContact O-N 3.41Å; E437-W446 HydrophobicContact CB-CD2 4.46Å; E437-W446 HydrophobicContact CB-CE3 3.58Å; E437-W446 HydrophobicContact CB-CZ3 4.16Å; E437-Q447 CarbonylContact C-O 3.54Å; E437-Q447 WeakPolarHBondContact CA-O 3.2Å; E437-M448 HydrophobicContact CG-CE 4.34Å; E437-M448 HydrophobicContact CG-SD 3.67Å
438	C	98.4	Very high	96.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.3	178.9	176.4	0	0	0	0	109.4	L421 F422 W446 Q447 K449	L421-C438 CarbonylContact O-C 3.59Å; L421-C438 VanDerWaalsContact O-CA 3.26Å; L421-C438 WeakPolarHBondContact O-CA 3.38Å; F422-C438 HydrophobicContact CD1-CB 3.94Å; F422-C438 HydrophobicContact CE1-CB 3.74Å; F422-C438 HydrophobicContact CZ-CB 4.33Å; C438-W446 WeakPolarHBondContact O-CA 3.4Å; C438-Q447 PolarHBondContact N-O 3.12Å; C438-Q447 PolarHBondContact O-N 3.28Å; C438-K449 HydrophobicContact CB-CD 4.34Å; C438-K449 HydrophobicContact CB-CG 3.77Å
439	Y	98.3	Very high	96.5	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.1	173	176.2	-97.6	0	0	0	111	F389 L402 L421 P441 N444 Q445 W446	F389-Y439 HydrophobicContact CD1-CD2 4.16Å; F389-Y439 HydrophobicContact CD1-CE2 4.16Å; F389-Y439 AromaticContact CE1-CD1 3.75Å; F389-Y439 HydrophobicContact CE1-CD1 3.75Å; F389-Y439 AromaticContact CE1-CD2 3.77Å; F389-Y439 HydrophobicContact CE1-CD2 3.77Å; F389-Y439 AromaticContact CE1-CE1 3.8Å; F389-Y439 HydrophobicContact CE1-CE1 3.8Å; F389-Y439 AromaticContact CE1-CE2 3.83Å; F389-Y439 HydrophobicContact CE1-CE2 3.83Å; F389-Y439 AromaticContact CE1-CG 3.72Å; F389-Y439 HydrophobicContact CE1-CG 3.72Å; F389-Y439 AromaticContact CE1-CZ 3.85Å; F389-Y439 HydrophobicContact CZ-CD1 4.25Å; F389-Y439 HydrophobicContact CZ-CE1 4.48Å; F389-Y439 HydrophobicContact CZ-CG 4.42Å; L402-Y439 HydrophobicContact CB-CE2 4.47Å; L402-Y439 HydrophobicContact CD1-CE1 4.26Å; L421-Y439 HydrophobicContact CD1-CD1 3.8Å; L421-Y439 HydrophobicContact CD1-CE1 4.47Å; L421-Y439 PolarHBondContact N-O 3.25Å; L421-Y439 PolarHBondContact O-N 3.47Å; Y439-P441 HydrophobicContact CD1-CG 4.12Å; Y439-P441 HydrophobicContact CE1-CB 4.08Å; Y439-P441 HydrophobicContact CE1-CG 3.88Å; Y439-N444 WeakPolarHBondContact CE2-OD1 3.4Å; Y439-N444 PolarHBondContact OH-OD1 3.09Å; Y439-Q445 WeakPolarHBondContact CA-O 3.36Å; Y439-W446 AromaticContact CD2-CD1 3.91Å; Y439-W446 HydrophobicContact CD2-CD2 4.18Å; Y439-W446 AromaticContact CD2-CE2 3.81Å; Y439-W446 HydrophobicContact CD2-CG 4.24Å; Y439-W446 HydrophobicContact CD2-CZ2 4.32Å; Y439-W446 AromaticContact CD2-NE1 3.62Å; Y439-W446 HydrophobicContact CG-CD2 4.39Å; Y439-W446 HydrophobicContact CG-CZ2 4.23Å
440	V	95.6	Very high	96.6	Very high	25 Å²	25	42.6 Å²	42.6	15%	0.152	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	107.5	177.6	-178.2	0	0	0	0	108.6	L420 A442 T443 N444 Q445	L420-V440 HydrophobicContact CD2-CB 4.25Å; L420-V440 HydrophobicContact CD2-CG1 4.21Å; L420-V440 HydrophobicContact CD2-CG2 4.01Å; V440-A442 VanDerWaalsContact C-N 3.32Å; V440-A442 HydrophobicContact CG1-CB 4.42Å; V440-A442 PolarHBondContact O-N 2.95Å; V440-T443 PolarHBondContact O-N 3.05Å; V440-T443 PolarHBondContact O-OG1 3.47Å; V440-N444 PolarHBondContact O-N 2.83Å; V440-Q445 PolarHBondContact N-O 3.17Å
441	P	93.4	Very high	96.8	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.032	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-56.6	-42.7	-176.5	-27.7	34.9	0	0	0	113.9	Y299 N302 M363 G419 Y439 T443 N444	Y299-P441 CarbonylContact O-C 3.51Å; Y299-P441 VanDerWaalsContact O-O 3.05Å; N302-P441 HydrophobicContact CB-CB 3.76Å; N302-P441 HydrophobicContact CB-CG 4.18Å; M363-P441 HydrophobicContact CE-CG 3.63Å; G419-P441 WeakPolarHBondContact O-CD 3.45Å; G419-P441 WeakPolarHBondContact O-CG 3.44Å; Y439-P441 HydrophobicContact CD1-CG 4.12Å; Y439-P441 HydrophobicContact CE1-CB 4.08Å; Y439-P441 HydrophobicContact CE1-CG 3.88Å; P441-T443 PolarHBondContact O-N 3.08Å; P441-T443 VanDerWaalsContact O-N 3.17Å; P441-N444 PolarHBondContact O-N 3.01Å; P441-N444 VanDerWaalsContact O-N 3.08Å
442	A	90	Very high	97	Very high	40 Å²	40	37.4 Å²	37.4	33%	0.331	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-57.5	-33.3	-177.3	0	0	0	0	0	113.3	H300 T303 V440	H300-A442 PolarHBondContact CD2-O 3.22Å; H300-A442 PolarHBondContact NE2-O 3.33Å; T303-A442 HydrophobicContact CG2-CB 4.01Å; V440-A442 VanDerWaalsContact C-N 3.32Å; V440-A442 HydrophobicContact CG1-CB 4.42Å; V440-A442 PolarHBondContact O-N 2.95Å
443	T	93.4	Very high	96.9	Very high	79 Å²	79	43 Å²	43	49%	0.485	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-102.3	-9.2	179.1	57	0	0	0	0	113	V440 P441 Q445	V440-T443 PolarHBondContact O-N 3.05Å; V440-T443 PolarHBondContact O-OG1 3.47Å; P441-T443 PolarHBondContact O-N 3.08Å; P441-T443 VanDerWaalsContact O-N 3.17Å; T443-Q445 VanDerWaalsContact C-N 3.32Å; T443-Q445 WeakPolarHBondContact O-CG 3.32Å; T443-Q445 PolarHBondContact O-N 3.32Å
444	N	95.7	Very high	96.7	Very high	27 Å²	27	44.4 Å²	44.4	14%	0.144	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	52	-169.3	-175.4	30.3	0	0	0	111.6	Y299 A403 Y439 V440 P441	Y299-N444 HydrophobicContact CD1-CB 4.06Å; Y299-N444 HydrophobicContact CG-CB 4.23Å; A403-N444 WeakPolarHBondContact CB-O 3.48Å; A403-N444 PolarHBondContact N-OD1 2.94Å; Y439-N444 WeakPolarHBondContact CE2-OD1 3.4Å; Y439-N444 PolarHBondContact OH-OD1 3.09Å; V440-N444 PolarHBondContact O-N 2.83Å; P441-N444 PolarHBondContact O-N 3.01Å; P441-N444 VanDerWaalsContact O-N 3.08Å
445	Q	96.8	Very high	96.6	Very high	110 Å²	110	44.9 Å²	44.9	51%	0.514	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.2	-178	-67.4	-59.9	-31.7	0	0	111.5	Y439 V440 T443	Y439-Q445 WeakPolarHBondContact CA-O 3.36Å; V440-Q445 PolarHBondContact N-O 3.17Å; T443-Q445 VanDerWaalsContact C-N 3.32Å; T443-Q445 WeakPolarHBondContact O-CG 3.32Å; T443-Q445 PolarHBondContact O-N 3.32Å
446	W	98.6	Very high	96.6	Very high	13 Å²	13	44.8 Å²	44.8	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.8	170.3	-70.3	90.7	0	0	0	110.6	F389 A403 M405 N406 L414 A423 E437 C438 Y439	F389-W446 AromaticContact CD1-CZ2 3.7Å; F389-W446 HydrophobicContact CD1-CZ2 3.7Å; F389-W446 AromaticContact CD1-NE1 3.78Å; F389-W446 HydrophobicContact CD2-CZ2 4.09Å; F389-W446 AromaticContact CE1-CZ2 3.81Å; F389-W446 HydrophobicContact CE1-CZ2 3.81Å; F389-W446 HydrophobicContact CE2-CZ2 4.19Å; F389-W446 AromaticContact CG-CZ2 3.87Å; F389-W446 HydrophobicContact CG-CZ2 3.87Å; F389-W446 HydrophobicContact CZ-CZ2 4.07Å; A403-W446 PolarHBondContact O-NE1 3.24Å; M405-W446 HydrophobicContact CG-CD2 3.95Å; M405-W446 VanDerWaalsContact CG-CE2 3.49Å; M405-W446 HydrophobicContact CG-CE3 4.32Å; M405-W446 HydrophobicContact CG-CH2 3.89Å; M405-W446 HydrophobicContact CG-CZ2 3.47Å; M405-W446 VanDerWaalsContact CG-CZ2 3.47Å; M405-W446 HydrophobicContact CG-CZ3 4.3Å; M405-W446 HydrophobicContact SD-CH2 4.22Å; M405-W446 HydrophobicContact SD-CZ2 4.28Å; N406-W446 WeakPolarHBondContact ND2-CB 3.45Å; L414-W446 HydrophobicContact CD1-CH2 4.21Å; A423-W446 HydrophobicContact CB-CH2 4.12Å; A423-W446 HydrophobicContact CB-CZ3 3.81Å; E437-W446 HydrophobicContact CB-CD2 4.46Å; E437-W446 HydrophobicContact CB-CE3 3.58Å; E437-W446 HydrophobicContact CB-CZ3 4.16Å; C438-W446 WeakPolarHBondContact O-CA 3.4Å; Y439-W446 AromaticContact CD2-CD1 3.91Å; Y439-W446 HydrophobicContact CD2-CD2 4.18Å; Y439-W446 AromaticContact CD2-CE2 3.81Å; Y439-W446 HydrophobicContact CD2-CG 4.24Å; Y439-W446 HydrophobicContact CD2-CZ2 4.32Å; Y439-W446 AromaticContact CD2-NE1 3.62Å; Y439-W446 HydrophobicContact CG-CD2 4.39Å; Y439-W446 HydrophobicContact CG-CZ2 4.23Å
447	Q	98.1	Very high	96.5	Very high	90 Å²	90	44.9 Å²	44.9	42%	0.421	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.9	177.8	-60.1	178.4	9.5	0	0	110	E437 C438	E437-Q447 CarbonylContact C-O 3.54Å; E437-Q447 WeakPolarHBondContact CA-O 3.2Å; C438-Q447 PolarHBondContact N-O 3.12Å; C438-Q447 PolarHBondContact O-N 3.28Å
448	M	98.3	Very high	96.5	Very high	103 Å²	103	45 Å²	45	51%	0.507	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	143.9	174.4	-60.7	-60.1	-58.8	0	0	110.7	E437	E437-M448 HydrophobicContact CG-CE 4.34Å; E437-M448 HydrophobicContact CG-SD 3.67Å
449	K	98.4	Very high	96.5	Very high	53 Å²	53	45.4 Å²	45.4	23%	0.23	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	171.3	174.2	-66.8	-60.8	-177.8	-178.4	0	111	F422 I436 C438 P451 Y486	F422-K449 HydrophobicContact CE1-CG 4.37Å; I436-K449 HydrophobicContact CB-CB 4.18Å; I436-K449 HydrophobicContact CG2-CB 4.03Å; I436-K449 PolarHBondContact O-N 3.44Å; C438-K449 HydrophobicContact CB-CD 4.34Å; C438-K449 HydrophobicContact CB-CG 3.77Å; K449-P451 VanDerWaalsContact O-N 3.17Å; K449-Y486 WeakPolarHBondContact CB-OH 3.35Å
450	A	98.3	Very high	96.5	Very high	25 Å²	25	45.7 Å²	45.7	21%	0.207	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-53	120.2	-180	0	0	0	0	0	110.2	I436 Y486 D491 W493	I436-A450 WeakPolarHBondContact CD1-O 3.44Å; A450-Y486 HydrophobicContact CB-CE2 4.48Å; A450-D491 WeakPolarHBondContact CB-O 3.47Å; A450-D491 WeakPolarHBondContact CB-OD1 3.25Å; A450-D491 PolarHBondContact N-OD1 3.16Å; A450-W493 PolarHBondContact O-NE1 2.92Å
451	P	98.3	Very high	96.6	Very high	80 Å²	80	45 Å²	45	52%	0.519	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-67.2	158	-174.5	29.3	-35.5	0	0	0	111.6	S434 K449 W493	S434-P451 WeakPolarHBondContact O-CA 3.22Å; K449-P451 VanDerWaalsContact O-N 3.17Å; P451-W493 PolarHBondContact O-NE1 3.17Å
452	L	97.4	Very high	96.8	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.031	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-58.2	143.8	162.2	-70.7	157.7	0	0	0	109.7	V424 S434 I436 V454 R456 W493	V424-L452 HydrophobicContact CG1-CD1 4.05Å; V424-L452 HydrophobicContact CG1-CG 4.43Å; S434-L452 VanDerWaalsContact CB-O 3.27Å; S434-L452 WeakPolarHBondContact CB-O 3.47Å; S434-L452 PolarHBondContact O-N 2.86Å; I436-L452 HydrophobicContact CD1-CG 4.16Å; L452-V454 VanDerWaalsContact C-N 3.28Å; L452-V454 PolarHBondContact O-N 2.82Å; L452-R456 HydrophobicContact CD1-CG 3.81Å; L452-W493 HydrophobicContact CD2-CD2 4.23Å; L452-W493 HydrophobicContact CD2-CE3 4.03Å; L452-W493 HydrophobicContact CD2-CH2 3.46Å; L452-W493 VanDerWaalsContact CD2-CH2 3.46Å; L452-W493 HydrophobicContact CD2-CZ2 3.72Å; L452-W493 HydrophobicContact CD2-CZ3 3.63Å; L452-W493 HydrophobicContact CG-CH2 4.24Å; L452-W493 HydrophobicContact CG-CZ2 4.08Å
453	E	93.9	Very high	97.2	Very high	171 Å²	171	45.2 Å²	45.2	80%	0.799	24%	0.242	S	C	*	.	S	Bend	trans	-61.4	-39.4	174.7	-173.1	177.4	178.3	0	0	112.1
454	V	94.3	Very high	97.4	Very high	47 Å²	47	41.7 Å²	41.7	29%	0.285	22%	0.221	S	C	.	.	S	Bend	trans	-124.1	127.1	178.3	-168.4	0	0	0	0	110.3	L452 R456 I475	L452-V454 VanDerWaalsContact C-N 3.28Å; L452-V454 PolarHBondContact O-N 2.82Å; V454-R456 PolarHBondContact O-N 2.95Å; V454-I475 HydrophobicContact CB-CG2 4.26Å; V454-I475 HydrophobicContact CG1-CG2 3.43Å; V454-I475 VanDerWaalsContact CG1-CG2 3.43Å
455	P	97.1	Very high	97.3	Very high	49 Å²	49	45.1 Å²	45.1	32%	0.318	24%	0.239	S	C	.	.			trans	-55.1	137.3	174.6	-23.6	31.9	0	0	0	112.3	C432 L433	C432-P455 HydrophobicContact CB-CB 3.84Å; C432-P455 WeakPolarHBondContact O-CB 3.44Å; L433-P455 WeakPolarHBondContact O-CA 3.43Å
456	R	97.1	Very high	97.1	Very high	15 Å²	15	41.6 Å²	41.6	6%	0.057	23%	0.232	C	C	.	.			trans	-150.3	147.1	-179.6	68.3	180	64	-171.1	4	112.9	G426 L433 L452 V454 I475 S482	G426-R456 PolarHBondContact N-O 3.28Å; L433-R456 PolarHBondContact O-N 2.98Å; L452-R456 HydrophobicContact CD1-CG 3.81Å; V454-R456 PolarHBondContact O-N 2.95Å; R456-I475 HydrophobicContact CB-CD1 4.02Å; R456-I475 HydrophobicContact CB-CG1 3.66Å; R456-I475 VanDerWaalsContact CZ-CD1 3.47Å; R456-S482 PolarHBondContact NH1-OG 2.8Å; R456-S482 PolarHBondContact NH2-OG 3.07Å
457	C	97.8	Very high	97.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-130.6	174.1	172.4	69.6	0	0	0	0	110.6	H411 G426 R427 H459 G473 Y474	H411-C457 HydrophobicContact CB-CB 4.38Å; G426-C457 VanDerWaalsContact C-CB 3.5Å; G426-C457 WeakPolarHBondContact O-CB 3.4Å; R427-C457 HydrophobicContact CB-CB 3.87Å; R427-C457 HydrophobicContact CG-CB 3.97Å; C457-H459 PolarHBondContact O-N 2.7Å; C457-G473 CarbonylContact O-C 3.56Å; C457-G473 WeakPolarHBondContact O-CA 3.41Å; C457-Y474 PolarHBondContact N-O 2.8Å; C457-Y474 PolarHBondContact O-N 2.71Å
458	C	97.4	Very high	97.1	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.02	22%	0.222	C	C	.	.	S	Bend	trans	56.8	20.8	177.6	-47.1	0	0	0	0	113.4	H411 G504 W505	H411-C458 HydrophobicContact CB-CB 4.48Å; H411-C458 PolarHBondContact O-N 3.42Å; C458-G504 CarbonylContact O-C 3.53Å; C458-G504 WeakPolarHBondContact O-CA 3.29Å; C458-W505 HydrophobicContact CB-CD2 3.78Å; C458-W505 HydrophobicContact CB-CE3 4.22Å; C458-W505 HydrophobicContact CB-CG 4Å; C458-W505 HydrophobicContact CB-CZ2 4.33Å; C458-W505 PolarHBondContact O-N 2.91Å; C458-W505 WeakPolarHBondContact SG-CZ2 3.45Å; C458-W505 PolarHBondContact SG-NE1 2.67Å
459	H	98.4	Very high	97.1	Very high	9 Å²	9	35 Å²	35	4%	0.042	20%	0.198	C	C	.	.			trans	-85.4	170.6	174	62.5	-87.6	0	0	0	109.1	S413 V424 C457 V470	S413-H459 PolarHBondContact OG-CD2 3.34Å; S413-H459 PolarHBondContact OG-NE2 2.82Å; V424-H459 PolarHBondContact O-CE1 2.94Å; V424-H459 PolarHBondContact O-NE2 2.84Å; V424-H459 VanDerWaalsContact O-NE2 3.15Å; C457-H459 PolarHBondContact O-N 2.7Å; H459-V470 HydrophobicContact CB-CG1 4.31Å
460	A	98.2	Very high	97.1	Very high	8 Å²	8	32.4 Å²	32.4	7%	0.066	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	156.5	167.7	0	0	0	0	0	109.8	T471 H506 A508	A460-T471 PolarHBondContact N-O 3.42Å; A460-T471 PolarHBondContact O-N 3.09Å; A460-T471 PolarHBondContact O-OG1 3.03Å; A460-H506 VanDerWaalsContact CB-CD2 3.44Å; A460-H506 WeakPolarHBondContact CB-CD2 3.41Å; A460-H506 WeakPolarHBondContact CB-NE2 3.16Å; A460-H506 PolarHBondContact N-NE2 2.86Å; A460-A508 HydrophobicContact CB-CB 3.56Å
461	S	98.2	Very high	97.1	Very high	12 Å²	12	31.2 Å²	31.2	8%	0.084	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	158.4	174.2	68.6	0	0	0	0	111.6	S413 N415 L469	S413-S461 WeakPolarHBondContact CB-OG 3.48Å; S413-S461 PolarHBondContact OG-OG 3.43Å; N415-S461 PolarHBondContact ND2-OG 3.13Å; N415-S461 PolarHBondContact OD1-OG 3.37Å; S461-L469 CarbonylContact C-O 3.57Å; S461-L469 WeakPolarHBondContact CA-O 3.45Å; S461-L469 WeakPolarHBondContact CB-O 3.43Å
462	A	98.1	Very high	97.1	Very high	6 Å²	6	27.4 Å²	27.4	5%	0.05	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158.9	171.3	0	0	0	0	0	110.3	L469 A508 S510 V515	A462-L469 PolarHBondContact N-O 2.87Å; A462-L469 PolarHBondContact O-N 2.85Å; A462-A508 HydrophobicContact CB-CB 4.2Å; A462-S510 WeakPolarHBondContact CB-OG 3.48Å; A462-V515 HydrophobicContact CB-CG1 3.71Å; A462-V515 HydrophobicContact CB-CG2 4.04Å
463	V	97.6	Very high	97.1	Very high	42 Å²	42	27.1 Å²	27.1	26%	0.255	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124	-179.7	-179.7	0	0	0	0	110.3	N415 F417 R467 I468 S510	N415-V463 HydrophobicContact CB-CG2 3.82Å; F417-V463 HydrophobicContact CD2-CG1 4.37Å; V463-R467 CarbonylContact C-O 3.52Å; V463-R467 VanDerWaalsContact CA-O 3.28Å; V463-R467 WeakPolarHBondContact CA-O 3.21Å; V463-I468 HydrophobicContact CG2-CG1 4.37Å; V463-S510 PolarHBondContact N-OG 2.86Å; V463-S510 VanDerWaalsContact O-CB 3.31Å; V463-S510 WeakPolarHBondContact O-CB 3.46Å; V463-S510 PolarHBondContact O-OG 2.83Å
464	V	96.8	Very high	97.2	Very high	6 Å²	6	22.1 Å²	22.1	4%	0.036	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	136.5	179.5	63.5	0	0	0	0	109.7	G466 R467 L469 M485 V515 Y538 P540	V464-G466 VanDerWaalsContact C-N 3.25Å; V464-G466 PolarHBondContact O-N 2.89Å; V464-R467 PolarHBondContact N-O 2.94Å; V464-R467 PolarHBondContact O-N 2.87Å; V464-L469 HydrophobicContact CG1-CB 3.97Å; V464-M485 HydrophobicContact CG1-CE 3.81Å; V464-M485 HydrophobicContact CG1-SD 4.43Å; V464-V515 HydrophobicContact CB-CG2 3.51Å; V464-V515 HydrophobicContact CG1-CG2 3.62Å; V464-V515 HydrophobicContact CG2-CG2 4.06Å; V464-Y538 HydrophobicContact CG1-CD1 4.45Å; V464-Y538 HydrophobicContact CG1-CE1 4.45Å; V464-P540 HydrophobicContact CG2-CB 3.9Å; V464-P540 HydrophobicContact CG2-CG 3.6Å
465	D	93.9	Very high	97.2	Very high	99 Å²	99	20.8 Å²	20.8	53%	0.529	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	47.5	-179.9	-174.2	41.5	0	0	0	112.9	R467 P540	D465-R467 PolarHBondContact O-N 3.43Å; D465-R467 VanDerWaalsContact O-N 3.12Å; D465-R467 IonicContact OD2-CZ 3.38Å; D465-R467 IonicContact OD2-NE 3.72Å; D465-R467 IonicContact OD2-NH2 3.09Å; D465-R467 PolarHBondContact OD2-NH2 2.73Å; D465-P540 HydrophobicContact CB-CB 3.83Å; D465-P540 HydrophobicContact CB-CG 4.25Å
466	G	93.9	Very high	97	Very high	35 Å²	35	24.9 Å²	24.9	36%	0.361	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	14.8	-180	0	0	0	0	0	115.8	F417 V464	F417-G466 WeakPolarHBondContact CE2-O 3.43Å; F417-G466 WeakPolarHBondContact CZ-O 3.38Å; V464-G466 VanDerWaalsContact C-N 3.25Å; V464-G466 PolarHBondContact O-N 2.89Å
467	R	97.1	Very high	96.7	Very high	67 Å²	67	30.7 Å²	30.7	25%	0.253	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	161.7	-175	-68.4	-178.8	-88.3	-154.5	-4.9	111.4	V463 V464 D465 M485 Y486 D487	V463-R467 CarbonylContact C-O 3.52Å; V463-R467 VanDerWaalsContact CA-O 3.28Å; V463-R467 WeakPolarHBondContact CA-O 3.21Å; V464-R467 PolarHBondContact N-O 2.94Å; V464-R467 PolarHBondContact O-N 2.87Å; D465-R467 PolarHBondContact O-N 3.43Å; D465-R467 VanDerWaalsContact O-N 3.12Å; D465-R467 IonicContact OD2-CZ 3.38Å; D465-R467 IonicContact OD2-NE 3.72Å; D465-R467 IonicContact OD2-NH2 3.09Å; D465-R467 PolarHBondContact OD2-NH2 2.73Å; R467-M485 HydrophobicContact CB-CE 4.43Å; R467-M485 HydrophobicContact CB-CG 3.64Å; R467-M485 HydrophobicContact CB-SD 3.48Å; R467-M485 WeakPolarHBondContact CB-SD 3.09Å; R467-M485 HydrophobicContact CG-CG 4.38Å; R467-Y486 WeakPolarHBondContact CA-O 3.23Å; R467-Y486 WeakPolarHBondContact CB-O 3.5Å; R467-D487 HydrophobicContact CG-CB 4.37Å
468	I	98.4	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	108.7	-179.9	-54.7	178.2	0	0	0	108.9	N415 F422 V463 V470 M485 Y486 P488	N415-I468 HydrophobicContact CB-CD1 4.03Å; N415-I468 HydrophobicContact CB-CG1 4.36Å; N415-I468 HydrophobicContact CB-CG2 4.38Å; F422-I468 HydrophobicContact CB-CD1 3.58Å; F422-I468 HydrophobicContact CD1-CD1 4.33Å; F422-I468 HydrophobicContact CD2-CD1 3.97Å; F422-I468 HydrophobicContact CG-CD1 3.7Å; V463-I468 HydrophobicContact CG2-CG1 4.37Å; I468-V470 HydrophobicContact CG2-CG2 4.29Å; I468-M485 WeakPolarHBondContact O-CA 3.28Å; I468-Y486 HydrophobicContact CD1-CD1 4.04Å; I468-Y486 HydrophobicContact CG1-CD1 4.44Å; I468-Y486 PolarHBondContact N-O 2.88Å; I468-Y486 PolarHBondContact O-N 2.76Å; I468-P488 HydrophobicContact CD1-CG 4.3Å; I468-P488 HydrophobicContact CG1-CG 4.24Å
469	L	98.5	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.6	176.7	-173.8	75.8	0	0	0	109.3	S461 A462 V464 T471 V483 M485 K496 V515 Y538 W545	S461-L469 CarbonylContact C-O 3.57Å; S461-L469 WeakPolarHBondContact CA-O 3.45Å; S461-L469 WeakPolarHBondContact CB-O 3.43Å; A462-L469 PolarHBondContact N-O 2.87Å; A462-L469 PolarHBondContact O-N 2.85Å; V464-L469 HydrophobicContact CG1-CB 3.97Å; L469-T471 HydrophobicContact CD2-CG2 4.03Å; L469-T471 HydrophobicContact CG-CG2 4.03Å; L469-V483 HydrophobicContact CD1-CG1 3.44Å; L469-V483 VanDerWaalsContact CD1-CG1 3.44Å; L469-V483 HydrophobicContact CG-CG1 4.02Å; L469-M485 WeakPolarHBondContact CA-SD 3.49Å; L469-M485 HydrophobicContact CB-CE 3.93Å; L469-M485 HydrophobicContact CB-SD 3.68Å; L469-M485 HydrophobicContact CD1-CE 3.46Å; L469-M485 VanDerWaalsContact CD1-CE 3.46Å; L469-M485 HydrophobicContact CD1-SD 3.92Å; L469-M485 HydrophobicContact CG-CE 4.26Å; L469-M485 HydrophobicContact CG-SD 4.44Å; L469-M485 PolarHBondContact N-SD 3.11Å; L469-M485 VanDerWaalsContact N-SD 3.36Å; L469-K496 HydrophobicContact CD1-CG 4.36Å; L469-V515 HydrophobicContact CD2-CB 4.04Å; L469-V515 HydrophobicContact CD2-CG1 4.12Å; L469-V515 HydrophobicContact CD2-CG2 4.07Å; L469-Y538 HydrophobicContact CD1-CE1 4.37Å; L469-Y538 HydrophobicContact CD2-CD1 3.73Å; L469-Y538 HydrophobicContact CD2-CE1 4.25Å; L469-Y538 HydrophobicContact CD2-CG 3.99Å; L469-W545 HydrophobicContact CD2-CH2 4.05Å; L469-W545 HydrophobicContact CD2-CZ2 4.17Å
470	V	98.5	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.8	178.7	179.8	0	0	0	0	109.6	V424 H459 I468 V483 C484 W493	V424-V470 HydrophobicContact CG1-CG2 4.08Å; H459-V470 HydrophobicContact CB-CG1 4.31Å; I468-V470 HydrophobicContact CG2-CG2 4.29Å; V470-V483 WeakPolarHBondContact O-CA 3.39Å; V470-C484 PolarHBondContact N-O 2.91Å; V470-C484 PolarHBondContact O-N 2.95Å; V470-W493 HydrophobicContact CB-CZ3 4.33Å; V470-W493 HydrophobicContact CG2-CH2 3.76Å; V470-W493 HydrophobicContact CG2-CZ3 3.81Å
471	T	98.5	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.3	-169.6	66	0	0	0	0	112.2	A460 L469 V483 H506 V517 W545	A460-T471 PolarHBondContact N-O 3.42Å; A460-T471 PolarHBondContact O-N 3.09Å; A460-T471 PolarHBondContact O-OG1 3.03Å; L469-T471 HydrophobicContact CD2-CG2 4.03Å; L469-T471 HydrophobicContact CG-CG2 4.03Å; T471-V483 HydrophobicContact CG2-CG1 4.15Å; T471-V483 HydrophobicContact CG2-CG2 4.29Å; T471-H506 PolarHBondContact O-CE1 2.8Å; T471-H506 PolarHBondContact O-NE2 3.32Å; T471-H506 PolarHBondContact OG1-NE2 3.4Å; T471-V517 HydrophobicContact CG2-CG2 3.93Å; T471-W545 HydrophobicContact CG2-CH2 3.83Å; T471-W545 HydrophobicContact CG2-CZ2 4.1Å
472	G	97.8	Very high	96.5	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.			trans	54.1	-136.5	173.3	0	0	0	0	0	113.7	S480 S482	G472-S480 WeakPolarHBondContact CA-O 3.41Å; G472-S482 PolarHBondContact N-O 3.18Å
473	G	97.6	Very high	96.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.			trans	99.6	-166.3	-177.9	0	0	0	0	0	112.9	C457 S480 R503	C457-G473 CarbonylContact O-C 3.56Å; C457-G473 WeakPolarHBondContact O-CA 3.41Å; G473-S480 PolarHBondContact O-N 2.68Å; G473-R503 PolarHBondContact N-O 3.25Å
474	Y	95.6	Very high	96.5	Very high	65 Å²	65	41.1 Å²	41.1	26%	0.255	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.8	179.2	-157.3	-109.8	0	0	0	109.1	C457 N477 A478 Y479	C457-Y474 PolarHBondContact N-O 2.8Å; C457-Y474 PolarHBondContact O-N 2.71Å; Y474-N477 VanDerWaalsContact CE1-CA 3.47Å; Y474-N477 HydrophobicContact CE1-CB 4.37Å; Y474-N477 VanDerWaalsContact OH-C 3.26Å; Y474-N477 PolarHBondContact OH-O 2.96Å; Y474-A478 WeakPolarHBondContact CA-O 3.1Å; Y474-Y479 HydrophobicContact CD2-CD1 4.4Å; Y474-Y479 HydrophobicContact CD2-CG 4.5Å
475	I	95.4	Very high	96.5	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.7	-172.6	-51.7	-171.7	0	0	0	107.5	V454 R456 N477 A478 S482	V454-I475 HydrophobicContact CB-CG2 4.26Å; V454-I475 HydrophobicContact CG1-CG2 3.43Å; V454-I475 VanDerWaalsContact CG1-CG2 3.43Å; R456-I475 HydrophobicContact CB-CD1 4.02Å; R456-I475 HydrophobicContact CB-CG1 3.66Å; R456-I475 VanDerWaalsContact CZ-CD1 3.47Å; I475-N477 PolarHBondContact O-N 2.9Å; I475-N477 VanDerWaalsContact O-N 3.13Å; I475-A478 PolarHBondContact N-O 2.77Å; I475-A478 PolarHBondContact O-N 3.07Å; I475-A478 VanDerWaalsContact O-O 3.11Å; I475-S482 VanDerWaalsContact CD1-OG 3.26Å; I475-S482 WeakPolarHBondContact CD1-OG 3.48Å
476	N	93.1	Very high	96.8	Very high	135 Å²	135	36.4 Å²	36.4	72%	0.722	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	43.4	178.7	-61.8	-23	0	0	0	113.2	A478	N476-A478 VanDerWaalsContact C-N 3.28Å; N476-A478 PolarHBondContact O-N 3.17Å
477	N	90.4	Very high	96.9	Very high	138 Å²	138	35.6 Å²	35.6	74%	0.738	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	23.1	-178.2	-55.7	-37.9	0	0	0	115.9	Y474 I475	Y474-N477 VanDerWaalsContact CE1-CA 3.47Å; Y474-N477 HydrophobicContact CE1-CB 4.37Å; Y474-N477 VanDerWaalsContact OH-C 3.26Å; Y474-N477 PolarHBondContact OH-O 2.96Å; I475-N477 PolarHBondContact O-N 2.9Å; I475-N477 VanDerWaalsContact O-N 3.13Å
478	A	95.3	Very high	96.9	Very high	50 Å²	50	33.2 Å²	33.2	41%	0.413	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	151.8	176.4	0	0	0	0	0	112.3	Y474 I475 N476	Y474-A478 WeakPolarHBondContact CA-O 3.1Å; I475-A478 PolarHBondContact N-O 2.77Å; I475-A478 PolarHBondContact O-N 3.07Å; I475-A478 VanDerWaalsContact O-O 3.11Å; N476-A478 VanDerWaalsContact C-N 3.28Å; N476-A478 PolarHBondContact O-N 3.17Å
479	Y	97.2	Very high	96.8	Very high	40 Å²	40	37.6 Å²	37.6	16%	0.157	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	134.7	166	-66.1	-81	0	0	0	109.5	Y474 W505 S521 L523 R529	Y474-Y479 HydrophobicContact CD2-CD1 4.4Å; Y474-Y479 HydrophobicContact CD2-CG 4.5Å; Y479-W505 AromaticContact CE1-CE3 3.88Å; Y479-W505 HydrophobicContact CE1-CE3 3.88Å; Y479-W505 AromaticContact CE1-CZ3 3.56Å; Y479-W505 HydrophobicContact CE1-CZ3 3.56Å; Y479-W505 AromaticContact CZ-CZ3 3.84Å; Y479-W505 WeakPolarHBondContact OH-CZ3 3.3Å; Y479-S521 VanDerWaalsContact CD1-O 3.27Å; Y479-S521 WeakPolarHBondContact CD1-O 3.42Å; Y479-S521 WeakPolarHBondContact CE1-O 3.37Å; Y479-S521 WeakPolarHBondContact CE1-OG 3.31Å; Y479-S521 PolarHBondContact OH-OG 2.81Å; Y479-L523 HydrophobicContact CD2-CB 4.12Å; Y479-L523 HydrophobicContact CE2-CB 4.3Å; Y479-R529 VanDerWaalsContact OH-CD 3.25Å; Y479-R529 WeakPolarHBondContact OH-CD 3.46Å; Y479-R529 PolarHBondContact OH-NE 2.99Å
480	S	97.6	Very high	96.7	Very high	21 Å²	21	42.7 Å²	42.7	15%	0.147	23%	0.229	C	C	.	.			trans	-113.3	149.4	-175.6	-171.9	0	0	0	0	112.1	G472 G473 S482 P502 R503	G472-S480 WeakPolarHBondContact CA-O 3.41Å; G473-S480 PolarHBondContact O-N 2.68Å; S480-S482 VanDerWaalsContact OG-CB 3.26Å; S480-S482 WeakPolarHBondContact OG-CB 3.44Å; S480-S482 PolarHBondContact OG-N 3.18Å; S480-S482 PolarHBondContact OG-OG 2.73Å; S480-P502 WeakPolarHBondContact O-CA 3.41Å; S480-R503 PolarHBondContact O-N 3.19Å
481	R	97.7	Very high	96.6	Very high	153 Å²	153	45.7 Å²	45.7	58%	0.577	25%	0.245	S	C	*	.			trans	-97.9	-4.3	165.7	66.4	174.6	-174.7	178.7	0.5	113.1	S498 L499	R481-S498 WeakPolarHBondContact O-CA 3.46Å; R481-S498 WeakPolarHBondContact O-CB 3.39Å; R481-L499 HydrophobicContact CB-CB 4.21Å; R481-L499 WeakPolarHBondContact CB-O 3.3Å; R481-L499 PolarHBondContact O-N 2.86Å
482	S	97.8	Very high	96.6	Very high	28 Å²	28	48.5 Å²	48.5	20%	0.196	26%	0.26	C	S	.	.			trans	-60.8	137.9	-172.8	62.5	0	0	0	0	111.1	R456 G472 I475 S480	R456-S482 PolarHBondContact NH1-OG 2.8Å; R456-S482 PolarHBondContact NH2-OG 3.07Å; G472-S482 PolarHBondContact N-O 3.18Å; I475-S482 VanDerWaalsContact CD1-OG 3.26Å; I475-S482 WeakPolarHBondContact CD1-OG 3.48Å; S480-S482 VanDerWaalsContact OG-CB 3.26Å; S480-S482 WeakPolarHBondContact OG-CB 3.44Å; S480-S482 PolarHBondContact OG-N 3.18Å; S480-S482 PolarHBondContact OG-OG 2.73Å
483	V	98.1	Very high	96.6	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.018	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130	175.4	-178.1	0	0	0	0	108	L469 V470 T471 K496 S497 L499 W545	L469-V483 HydrophobicContact CD1-CG1 3.44Å; L469-V483 VanDerWaalsContact CD1-CG1 3.44Å; L469-V483 HydrophobicContact CG-CG1 4.02Å; V470-V483 WeakPolarHBondContact O-CA 3.39Å; T471-V483 HydrophobicContact CG2-CG1 4.15Å; T471-V483 HydrophobicContact CG2-CG2 4.29Å; V483-K496 HydrophobicContact CB-CB 4.29Å; V483-K496 HydrophobicContact CG1-CB 3.92Å; V483-K496 PolarHBondContact O-N 2.9Å; V483-S497 WeakPolarHBondContact CB-O 3.43Å; V483-S497 WeakPolarHBondContact CG2-O 3.25Å; V483-L499 HydrophobicContact CG2-CD2 4.41Å; V483-L499 HydrophobicContact CG2-CG 3.92Å; V483-W545 HydrophobicContact CG1-CZ2 4.18Å; V483-W545 HydrophobicContact CG2-CZ2 3.95Å
484	C	97.5	Very high	96.6	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.034	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	156.2	173.2	55.9	0	0	0	0	109.6	V470 W493 Q494	V470-C484 PolarHBondContact N-O 2.91Å; V470-C484 PolarHBondContact O-N 2.95Å; C484-W493 HydrophobicContact CB-CE3 3.9Å; C484-W493 HydrophobicContact CB-CZ3 4.21Å; C484-W493 WeakPolarHBondContact SG-CZ3 3.33Å; C484-Q494 CarbonylContact C-O 3.6Å; C484-Q494 WeakPolarHBondContact CA-O 3.45Å
485	M	97.6	Very high	96.6	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.025	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.7	-178	-174.1	77.5	84.6	0	0	108.5	V464 R467 I468 L469 W493 Q494 K496 Y538	V464-M485 HydrophobicContact CG1-CE 3.81Å; V464-M485 HydrophobicContact CG1-SD 4.43Å; R467-M485 HydrophobicContact CB-CE 4.43Å; R467-M485 HydrophobicContact CB-CG 3.64Å; R467-M485 HydrophobicContact CB-SD 3.48Å; R467-M485 WeakPolarHBondContact CB-SD 3.09Å; R467-M485 HydrophobicContact CG-CG 4.38Å; I468-M485 WeakPolarHBondContact O-CA 3.28Å; L469-M485 WeakPolarHBondContact CA-SD 3.49Å; L469-M485 HydrophobicContact CB-CE 3.93Å; L469-M485 HydrophobicContact CB-SD 3.68Å; L469-M485 HydrophobicContact CD1-CE 3.46Å; L469-M485 VanDerWaalsContact CD1-CE 3.46Å; L469-M485 HydrophobicContact CD1-SD 3.92Å; L469-M485 HydrophobicContact CG-CE 4.26Å; L469-M485 HydrophobicContact CG-SD 4.44Å; L469-M485 PolarHBondContact N-SD 3.11Å; L469-M485 VanDerWaalsContact N-SD 3.36Å; M485-W493 CarbonylContact O-C 3.59Å; M485-W493 WeakPolarHBondContact O-CA 3.39Å; M485-Q494 PolarHBondContact N-O 2.93Å; M485-Q494 PolarHBondContact O-N 3.35Å; M485-K496 HydrophobicContact CB-CD 4.43Å; M485-K496 HydrophobicContact CB-CG 3.86Å; M485-Y538 HydrophobicContact CE-CE1 4.23Å
486	Y	98.4	Very high	96.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.2	172.6	176.4	-109.9	0	0	0	110.3	F422 K449 A450 R467 I468 P488 D491 N492 W493	F422-Y486 AromaticContact CD1-CE1 3.9Å; F422-Y486 HydrophobicContact CD1-CE1 3.9Å; F422-Y486 AromaticContact CE1-CE1 3.86Å; F422-Y486 HydrophobicContact CE1-CE1 3.86Å; K449-Y486 WeakPolarHBondContact CB-OH 3.35Å; A450-Y486 HydrophobicContact CB-CE2 4.48Å; R467-Y486 WeakPolarHBondContact CA-O 3.23Å; R467-Y486 WeakPolarHBondContact CB-O 3.5Å; I468-Y486 HydrophobicContact CD1-CD1 4.04Å; I468-Y486 HydrophobicContact CG1-CD1 4.44Å; I468-Y486 PolarHBondContact N-O 2.88Å; I468-Y486 PolarHBondContact O-N 2.76Å; Y486-P488 HydrophobicContact CD1-CB 4.35Å; Y486-P488 HydrophobicContact CD1-CG 3.86Å; Y486-P488 VanDerWaalsContact CE1-CA 3.5Å; Y486-P488 HydrophobicContact CE1-CB 3.84Å; Y486-P488 HydrophobicContact CE1-CG 3.84Å; Y486-P488 WeakPolarHBondContact O-CD 3.42Å; Y486-D491 WeakPolarHBondContact CE2-OD1 3.45Å; Y486-D491 PolarHBondContact OH-OD1 2.85Å; Y486-N492 WeakPolarHBondContact CA-O 3.39Å; Y486-N492 VanDerWaalsContact CD2-O 3.28Å; Y486-N492 WeakPolarHBondContact CD2-O 3.45Å; Y486-W493 VanDerWaalsContact CB-CH2 3.45Å; Y486-W493 HydrophobicContact CD2-CD2 4.04Å; Y486-W493 AromaticContact CD2-CE2 3.5Å; Y486-W493 VanDerWaalsContact CD2-CE2 3.5Å; Y486-W493 HydrophobicContact CD2-CG 4.3Å; Y486-W493 AromaticContact CD2-CZ2 3.77Å; Y486-W493 HydrophobicContact CD2-CZ2 3.77Å; Y486-W493 AromaticContact CD2-NE1 3.49Å; Y486-W493 HydrophobicContact CG-CD2 4.44Å; Y486-W493 AromaticContact CG-CE2 3.96Å; Y486-W493 HydrophobicContact CG-CH2 4.21Å; Y486-W493 AromaticContact CG-CZ2 3.8Å; Y486-W493 HydrophobicContact CG-CZ2 3.8Å
487	D	97.6	Very high	96.8	Very high	19 Å²	19	55.9 Å²	55.9	10%	0.102	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	104.2	170.9	-175.5	-15.9	0	0	0	109.4	R467 S489 N490 D491 N492	R467-D487 HydrophobicContact CG-CB 4.37Å; D487-S489 PolarHBondContact O-N 3.46Å; D487-S489 VanDerWaalsContact OD1-CB 3.28Å; D487-S489 WeakPolarHBondContact OD1-CB 3.28Å; D487-S489 PolarHBondContact OD1-N 3.32Å; D487-S489 PolarHBondContact OD1-OG 2.95Å; D487-N490 HydrophobicContact CB-CB 4.42Å; D487-N490 PolarHBondContact O-N 3.46Å; D487-N490 PolarHBondContact OD1-N 3.29Å; D487-N490 PolarHBondContact OD2-ND2 2.87Å; D487-D491 WeakPolarHBondContact O-CA 3.39Å; D487-D491 PolarHBondContact O-N 3.16Å; D487-N492 PolarHBondContact N-O 3.13Å; D487-N492 PolarHBondContact O-N 2.98Å
488	P	96.4	Very high	97.1	Very high	17 Å²	17	51.8 Å²	51.8	11%	0.11	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.8	-179.3	-19.1	32.7	0	0	0	113.9	F417 F422 I468 Y486	F417-P488 HydrophobicContact CD1-CB 3.53Å; F417-P488 HydrophobicContact CD1-CG 3.62Å; F417-P488 HydrophobicContact CE1-CB 3.69Å; F417-P488 HydrophobicContact CE1-CG 3.92Å; F417-P488 HydrophobicContact CG-CB 4.39Å; F417-P488 HydrophobicContact CG-CG 4Å; F422-P488 HydrophobicContact CE1-CB 4.08Å; F422-P488 HydrophobicContact CE2-CB 4.28Å; F422-P488 HydrophobicContact CZ-CB 3.71Å; F422-P488 HydrophobicContact CZ-CG 4.42Å; I468-P488 HydrophobicContact CD1-CG 4.3Å; I468-P488 HydrophobicContact CG1-CG 4.24Å; Y486-P488 HydrophobicContact CD1-CB 4.35Å; Y486-P488 HydrophobicContact CD1-CG 3.86Å; Y486-P488 VanDerWaalsContact CE1-CA 3.5Å; Y486-P488 HydrophobicContact CE1-CB 3.84Å; Y486-P488 HydrophobicContact CE1-CG 3.84Å; Y486-P488 WeakPolarHBondContact O-CD 3.42Å
489	S	95.6	Very high	97.3	Very high	91 Å²	91	49.6 Å²	49.6	64%	0.636	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-36.2	-179.1	-47.9	0	0	0	0	111.4	D487	D487-S489 PolarHBondContact O-N 3.46Å; D487-S489 VanDerWaalsContact OD1-CB 3.28Å; D487-S489 WeakPolarHBondContact OD1-CB 3.28Å; D487-S489 PolarHBondContact OD1-N 3.32Å; D487-S489 PolarHBondContact OD1-OG 2.95Å
490	N	96.5	Very high	97.2	Very high	108 Å²	108	50.8 Å²	50.8	58%	0.578	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-3.4	-178.2	-66.6	-51.5	0	0	0	113.8	D487 N492	D487-N490 HydrophobicContact CB-CB 4.42Å; D487-N490 PolarHBondContact O-N 3.46Å; D487-N490 PolarHBondContact OD1-N 3.29Å; D487-N490 PolarHBondContact OD2-ND2 2.87Å; N490-N492 VanDerWaalsContact C-N 3.35Å; N490-N492 WeakPolarHBondContact CB-ND2 3.42Å; N490-N492 PolarHBondContact O-N 2.64Å
491	D	97.6	Very high	96.9	Very high	62 Å²	62	50.9 Å²	50.9	33%	0.332	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	51.2	-177.9	-162.2	10	0	0	0	112.2	A450 Y486 D487	A450-D491 WeakPolarHBondContact CB-O 3.47Å; A450-D491 WeakPolarHBondContact CB-OD1 3.25Å; A450-D491 PolarHBondContact N-OD1 3.16Å; Y486-D491 WeakPolarHBondContact CE2-OD1 3.45Å; Y486-D491 PolarHBondContact OH-OD1 2.85Å; D487-D491 WeakPolarHBondContact O-CA 3.39Å; D487-D491 PolarHBondContact O-N 3.16Å
492	N	97.7	Very high	96.9	Very high	60 Å²	60	45.9 Å²	45.9	32%	0.321	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	165.5	-177.7	71.3	29.3	0	0	0	113.3	Y486 D487 N490	Y486-N492 WeakPolarHBondContact CA-O 3.39Å; Y486-N492 VanDerWaalsContact CD2-O 3.28Å; Y486-N492 WeakPolarHBondContact CD2-O 3.45Å; D487-N492 PolarHBondContact N-O 3.13Å; D487-N492 PolarHBondContact O-N 2.98Å; N490-N492 VanDerWaalsContact C-N 3.35Å; N490-N492 WeakPolarHBondContact CB-ND2 3.42Å; N490-N492 PolarHBondContact O-N 2.64Å
493	W	98.1	Very high	96.9	Very high	55 Å²	55	44.5 Å²	44.5	21%	0.208	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	147.8	-177.8	-72.1	91.4	0	0	0	111.6	V424 I436 A450 P451 L452 V470 C484 M485 Y486	V424-W493 HydrophobicContact CG1-CH2 4.04Å; V424-W493 HydrophobicContact CG1-CZ2 4.42Å; I436-W493 HydrophobicContact CD1-CH2 4.38Å; I436-W493 HydrophobicContact CD1-CZ2 3.24Å; I436-W493 HydrophobicContact CG1-CZ2 3.89Å; A450-W493 PolarHBondContact O-NE1 2.92Å; P451-W493 PolarHBondContact O-NE1 3.17Å; L452-W493 HydrophobicContact CD2-CD2 4.23Å; L452-W493 HydrophobicContact CD2-CE3 4.03Å; L452-W493 HydrophobicContact CD2-CH2 3.46Å; L452-W493 VanDerWaalsContact CD2-CH2 3.46Å; L452-W493 HydrophobicContact CD2-CZ2 3.72Å; L452-W493 HydrophobicContact CD2-CZ3 3.63Å; L452-W493 HydrophobicContact CG-CH2 4.24Å; L452-W493 HydrophobicContact CG-CZ2 4.08Å; V470-W493 HydrophobicContact CB-CZ3 4.33Å; V470-W493 HydrophobicContact CG2-CH2 3.76Å; V470-W493 HydrophobicContact CG2-CZ3 3.81Å; C484-W493 HydrophobicContact CB-CE3 3.9Å; C484-W493 HydrophobicContact CB-CZ3 4.21Å; C484-W493 WeakPolarHBondContact SG-CZ3 3.33Å; M485-W493 CarbonylContact O-C 3.59Å; M485-W493 WeakPolarHBondContact O-CA 3.39Å; Y486-W493 VanDerWaalsContact CB-CH2 3.45Å; Y486-W493 HydrophobicContact CD2-CD2 4.04Å; Y486-W493 AromaticContact CD2-CE2 3.5Å; Y486-W493 VanDerWaalsContact CD2-CE2 3.5Å; Y486-W493 HydrophobicContact CD2-CG 4.3Å; Y486-W493 AromaticContact CD2-CZ2 3.77Å; Y486-W493 HydrophobicContact CD2-CZ2 3.77Å; Y486-W493 AromaticContact CD2-NE1 3.49Å; Y486-W493 HydrophobicContact CG-CD2 4.44Å; Y486-W493 AromaticContact CG-CE2 3.96Å; Y486-W493 HydrophobicContact CG-CH2 4.21Å; Y486-W493 AromaticContact CG-CZ2 3.8Å; Y486-W493 HydrophobicContact CG-CZ2 3.8Å
494	Q	96.8	Very high	96.9	Very high	77 Å²	77	44.4 Å²	44.4	36%	0.36	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.3	172.8	-63	176.5	21.4	0	0	110.3	C484 M485 K496	C484-Q494 CarbonylContact C-O 3.6Å; C484-Q494 WeakPolarHBondContact CA-O 3.45Å; M485-Q494 PolarHBondContact N-O 2.93Å; M485-Q494 PolarHBondContact O-N 3.35Å; Q494-K496 VanDerWaalsContact OE1-NZ 3.12Å
495	D	96.8	Very high	96.8	Very high	125 Å²	125	45.8 Å²	45.8	67%	0.668	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	147.1	169.6	-72.7	-30.9	0	0	0	111.5
496	K	96.4	Very high	96.9	Very high	56 Å²	56	46.1 Å²	46.1	24%	0.243	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	168.5	178	-62.6	-63.3	174	-164.5	0	110.8	L469 V483 M485 Q494 S498	L469-K496 HydrophobicContact CD1-CG 4.36Å; V483-K496 HydrophobicContact CB-CB 4.29Å; V483-K496 HydrophobicContact CG1-CB 3.92Å; V483-K496 PolarHBondContact O-N 2.9Å; M485-K496 HydrophobicContact CB-CD 4.43Å; M485-K496 HydrophobicContact CB-CG 3.86Å; Q494-K496 VanDerWaalsContact OE1-NZ 3.12Å; K496-S498 PolarHBondContact O-N 2.79Å
497	S	95.9	Very high	96.9	Very high	60 Å²	60	46.8 Å²	46.8	42%	0.42	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-46.9	124.9	172.6	-55	0	0	0	0	110.3	V483 G543 W545	V483-S497 WeakPolarHBondContact CB-O 3.43Å; V483-S497 WeakPolarHBondContact CG2-O 3.25Å; S497-G543 PolarHBondContact OG-O 2.81Å; S497-W545 PolarHBondContact O-NE1 2.95Å
498	S	97.6	Very high	96.9	Very high	53 Å²	53	46.7 Å²	46.7	37%	0.371	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-68.1	156.8	-179	-67.9	0	0	0	0	111.8	R481 K496	R481-S498 WeakPolarHBondContact O-CA 3.46Å; R481-S498 WeakPolarHBondContact O-CB 3.39Å; K496-S498 PolarHBondContact O-N 2.79Å
499	L	98	Very high	97	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-61.5	157.1	165.2	-63.4	174.1	0	0	0	110.5	R481 V483 R503 V517 E536 W545	R481-L499 HydrophobicContact CB-CB 4.21Å; R481-L499 WeakPolarHBondContact CB-O 3.3Å; R481-L499 PolarHBondContact O-N 2.86Å; V483-L499 HydrophobicContact CG2-CD2 4.41Å; V483-L499 HydrophobicContact CG2-CG 3.92Å; L499-R503 HydrophobicContact CD1-CG 3.88Å; L499-V517 HydrophobicContact CD1-CG1 4.34Å; L499-V517 HydrophobicContact CD2-CG1 4.29Å; L499-V517 HydrophobicContact CD2-CG2 4.45Å; L499-E536 HydrophobicContact CD2-CB 4.41Å; L499-W545 HydrophobicContact CD2-CD2 4.04Å; L499-W545 HydrophobicContact CD2-CE3 3.99Å; L499-W545 HydrophobicContact CD2-CH2 3.61Å; L499-W545 HydrophobicContact CD2-CZ2 3.65Å; L499-W545 HydrophobicContact CD2-CZ3 3.76Å
500	S	96.2	Very high	97.1	Very high	65 Å²	65	44.3 Å²	44.3	46%	0.455	25%	0.249	S	C	.	.	S	Bend	trans	-72.7	-38.6	174	-51.4	0	0	0	0	111.3	E536 Y547	S500-E536 WeakPolarHBondContact CB-OE2 3.34Å; S500-E536 PolarHBondContact N-OE2 3.16Å; S500-E536 PolarHBondContact OG-OE2 2.86Å; S500-Y547 WeakPolarHBondContact CB-OH 3.28Å; S500-Y547 PolarHBondContact OG-OH 3.32Å; S500-Y547 VanDerWaalsContact OG-OH 3.07Å
501	T	91.4	Very high	97.1	Very high	24 Å²	24	40 Å²	40	15%	0.147	23%	0.226	C	C	.	.	S	Bend	trans	-119.3	127.2	-175	-56.3	0	0	0	0	110.1	R503 V532	T501-R503 PolarHBondContact O-N 2.85Å; T501-V532 HydrophobicContact CG2-CG1 4.12Å; T501-V532 HydrophobicContact CG2-CG2 4.48Å
502	P	96.8	Very high	96.9	Very high	47 Å²	47	42.4 Å²	42.4	31%	0.305	24%	0.238	S	C	.	.			trans	-65.4	135.9	174.8	29.9	-34.5	0	0	0	109.8	S480 Q522	S480-P502 WeakPolarHBondContact O-CA 3.41Å; P502-Q522 WeakPolarHBondContact O-CB 3.33Å
503	R	97.5	Very high	96.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.261	C	S	.	.			trans	-153.1	152.9	-176.2	61.2	178.7	80.5	-155.2	9	112.6	G473 S480 L499 T501 H506 G519 S521 V532 P534 E536	G473-R503 PolarHBondContact N-O 3.25Å; S480-R503 PolarHBondContact O-N 3.19Å; L499-R503 HydrophobicContact CD1-CG 3.88Å; T501-R503 PolarHBondContact O-N 2.85Å; R503-H506 HydrophobicContact CG-CB 4.37Å; R503-G519 PolarHBondContact NH1-O 3.22Å; R503-S521 WeakPolarHBondContact CA-O 3.48Å; R503-V532 HydrophobicContact CB-CG2 4.16Å; R503-V532 VanDerWaalsContact CZ-CG1 3.43Å; R503-P534 PolarHBondContact NH1-O 3.14Å; R503-P534 PolarHBondContact NH2-O 3.41Å; R503-E536 IonicContact CZ-OE1 3.37Å; R503-E536 IonicContact NE-OE1 3.13Å; R503-E536 IonicContact NH2-OE1 2.81Å; R503-E536 PolarHBondContact NH2-OE1 2.74Å
504	G	97.5	Very high	96.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-145.9	162.4	172.7	0	0	0	0	0	111.3	C458 H506 G520 S521	C458-G504 CarbonylContact O-C 3.53Å; C458-G504 WeakPolarHBondContact O-CA 3.29Å; G504-H506 PolarHBondContact O-N 3.04Å; G504-G520 VanDerWaalsContact O-CA 3.32Å; G504-G520 WeakPolarHBondContact O-CA 3.23Å; G504-S521 PolarHBondContact N-O 3.13Å; G504-S521 PolarHBondContact O-N 3.28Å; G504-S521 PolarHBondContact O-OG 2.99Å
505	W	97.4	Very high	96.7	Very high	35 Å²	35	46.2 Å²	46.2	13%	0.133	25%	0.252	C	S	.	.	S	Bend	trans	55.9	27.3	-170	-60.1	-85.6	0	0	0	113.3	H411 C458 Y479 G520 R529 S556 T557	H411-W505 AromaticContact CE1-CD1 3.72Å; H411-W505 AromaticContact CE1-NE1 3.33Å; H411-W505 PolarHBondContact CE1-NE1 2.93Å; H411-W505 VanDerWaalsContact CE1-NE1 3.33Å; H411-W505 AromaticContact ND1-CD1 3.75Å; H411-W505 AromaticContact ND1-NE1 3.62Å; H411-W505 AromaticContact NE2-NE1 3.61Å; C458-W505 HydrophobicContact CB-CD2 3.78Å; C458-W505 HydrophobicContact CB-CE3 4.22Å; C458-W505 HydrophobicContact CB-CG 4Å; C458-W505 HydrophobicContact CB-CZ2 4.33Å; C458-W505 PolarHBondContact O-N 2.91Å; C458-W505 WeakPolarHBondContact SG-CZ2 3.45Å; C458-W505 PolarHBondContact SG-NE1 2.67Å; Y479-W505 AromaticContact CE1-CE3 3.88Å; Y479-W505 HydrophobicContact CE1-CE3 3.88Å; Y479-W505 AromaticContact CE1-CZ3 3.56Å; Y479-W505 HydrophobicContact CE1-CZ3 3.56Å; Y479-W505 AromaticContact CZ-CZ3 3.84Å; Y479-W505 WeakPolarHBondContact OH-CZ3 3.3Å; W505-G520 WeakPolarHBondContact O-CA 3.41Å; W505-R529 VanDerWaalsContact CD2-NH2 3.29Å; W505-S556 WeakPolarHBondContact O-CA 3.37Å; W505-T557 HydrophobicContact CB-CG2 3.95Å; W505-T557 HydrophobicContact CG-CG2 3.94Å; W505-T557 PolarHBondContact O-N 3.04Å
506	H	98.3	Very high	96.8	Very high	11 Å²	11	41 Å²	41	5%	0.051	22%	0.223	C	C	.	.			trans	-88.1	175.2	174	61.6	-80.1	0	0	0	111.2	A460 T471 R503 G504 M518 G519	A460-H506 VanDerWaalsContact CB-CD2 3.44Å; A460-H506 WeakPolarHBondContact CB-CD2 3.41Å; A460-H506 WeakPolarHBondContact CB-NE2 3.16Å; A460-H506 PolarHBondContact N-NE2 2.86Å; T471-H506 PolarHBondContact O-CE1 2.8Å; T471-H506 PolarHBondContact O-NE2 3.32Å; T471-H506 PolarHBondContact OG1-NE2 3.4Å; R503-H506 HydrophobicContact CG-CB 4.37Å; G504-H506 PolarHBondContact O-N 3.04Å; H506-M518 WeakPolarHBondContact CB-O 3.42Å; H506-G519 VanDerWaalsContact CB-O 3.25Å; H506-G519 WeakPolarHBondContact CB-O 3.27Å
507	C	98.4	Very high	96.9	Very high	15 Å²	15	38.3 Å²	38.3	10%	0.101	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	151.3	174.7	-59	0	0	0	0	110.6	V517 M518 A558 A560 L569	C507-V517 WeakPolarHBondContact O-CA 3.11Å; C507-M518 HydrophobicContact CB-CG 4.09Å; C507-M518 PolarHBondContact N-O 3.34Å; C507-M518 PolarHBondContact O-N 3.28Å; C507-A558 PolarHBondContact SG-O 2.91Å; C507-A560 HydrophobicContact CB-CB 3.59Å; C507-L569 HydrophobicContact CB-CD1 4.13Å
508	A	98.3	Very high	97	Very high	16 Å²	16	35.4 Å²	35.4	13%	0.132	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134	169.3	0	0	0	0	0	108.8	A460 A462 V515 Y516 V517	A460-A508 HydrophobicContact CB-CB 3.56Å; A462-A508 HydrophobicContact CB-CB 4.2Å; A508-V515 HydrophobicContact CB-CG1 4.26Å; A508-Y516 VanDerWaalsContact CA-O 3.26Å; A508-Y516 WeakPolarHBondContact CA-O 3.47Å; A508-V517 HydrophobicContact CB-CG2 4.29Å
509	V	98.1	Very high	97	Very high	15 Å²	15	33 Å²	33	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	150.2	176.6	-55.5	0	0	0	0	110.4	V515 Y516 M518 A560 T562 I567	V509-V515 WeakPolarHBondContact O-CA 3.29Å; V509-Y516 PolarHBondContact N-O 2.99Å; V509-Y516 PolarHBondContact O-N 3.29Å; V509-M518 HydrophobicContact CB-CE 4.26Å; V509-M518 HydrophobicContact CG1-CE 3.97Å; V509-M518 HydrophobicContact CG2-CE 3.47Å; V509-M518 VanDerWaalsContact CG2-CE 3.47Å; V509-A560 HydrophobicContact CG1-CB 3.69Å; V509-T562 HydrophobicContact CB-CG2 4.25Å; V509-T562 HydrophobicContact CG2-CG2 4.16Å; V509-I567 HydrophobicContact CG2-CB 4.41Å; V509-I567 HydrophobicContact CG2-CD1 3.6Å; V509-I567 HydrophobicContact CG2-CG1 3.78Å; V509-I567 HydrophobicContact CG2-CG2 3.82Å
510	S	97.5	Very high	97	Very high	44 Å²	44	32.9 Å²	32.9	31%	0.308	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	129.1	173.9	-58.3	0	0	0	0	110.7	A462 V463 R514	A462-S510 WeakPolarHBondContact CB-OG 3.48Å; V463-S510 PolarHBondContact N-OG 2.86Å; V463-S510 VanDerWaalsContact O-CB 3.31Å; V463-S510 WeakPolarHBondContact O-CB 3.46Å; V463-S510 PolarHBondContact O-OG 2.83Å; S510-R514 CarbonylContact C-O 3.59Å; S510-R514 VanDerWaalsContact CA-O 3.28Å; S510-R514 WeakPolarHBondContact CA-O 3.32Å
511	L	97.4	Very high	97	Very high	17 Å²	17	29.8 Å²	29.8	9%	0.089	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	133.2	176.3	178.6	63.3	0	0	0	109	E513 R514 Y516 T562 G565 I567 P589	L511-E513 VanDerWaalsContact C-N 3.32Å; L511-E513 PolarHBondContact O-N 3.26Å; L511-R514 PolarHBondContact N-O 3.15Å; L511-R514 PolarHBondContact O-N 3.05Å; L511-Y516 HydrophobicContact CB-CD2 4.16Å; L511-Y516 HydrophobicContact CB-CE2 3.94Å; L511-T562 HydrophobicContact CB-CG2 4.16Å; L511-T562 HydrophobicContact CD1-CG2 4.36Å; L511-G565 WeakPolarHBondContact CD2-O 3.49Å; L511-I567 HydrophobicContact CB-CD1 4.42Å; L511-I567 HydrophobicContact CB-CG1 4.36Å; L511-I567 HydrophobicContact CD2-CD1 3.99Å; L511-I567 HydrophobicContact CD2-CG1 3.55Å; L511-P589 HydrophobicContact CD2-CG 4.1Å
512	L	93.1	Very high	97.3	Very high	112 Å²	112	30.9 Å²	30.9	59%	0.586	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	50.1	178.8	-58.4	173.6	0	0	0	113.1	R514 P589	L512-R514 PolarHBondContact O-N 2.97Å; L512-R514 VanDerWaalsContact O-N 3.1Å; L512-P589 HydrophobicContact CD1-CB 4.32Å; L512-P589 HydrophobicContact CD1-CG 4.1Å
513	E	93.1	Very high	97.2	Very high	172 Å²	172	33.6 Å²	33.6	80%	0.804	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	13.3	179.8	-54.2	-178.8	171.6	0	0	115.8	L511 P540	L511-E513 VanDerWaalsContact C-N 3.32Å; L511-E513 PolarHBondContact O-N 3.26Å; E513-P540 WeakPolarHBondContact O-CD 3.29Å; E513-P540 WeakPolarHBondContact O-CG 3.39Å
514	R	97.1	Very high	97	Very high	101 Å²	101	34.4 Å²	34.4	38%	0.381	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	159.7	178	-65.1	176.8	177.3	-124.5	3.6	110.8	S510 L511 L512 Y516 Y538	S510-R514 CarbonylContact C-O 3.59Å; S510-R514 VanDerWaalsContact CA-O 3.28Å; S510-R514 WeakPolarHBondContact CA-O 3.32Å; L511-R514 PolarHBondContact N-O 3.15Å; L511-R514 PolarHBondContact O-N 3.05Å; L512-R514 PolarHBondContact O-N 2.97Å; L512-R514 VanDerWaalsContact O-N 3.1Å; R514-Y516 HydrophobicContact CB-CE2 3.91Å; R514-Y538 WeakPolarHBondContact CA-O 3.18Å; R514-Y538 WeakPolarHBondContact CB-O 3.43Å
515	V	98.4	Very high	96.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.5	172.8	179.5	0	0	0	0	109.6	A462 V464 L469 A508 V509 V517 C537 Y538	A462-V515 HydrophobicContact CB-CG1 3.71Å; A462-V515 HydrophobicContact CB-CG2 4.04Å; V464-V515 HydrophobicContact CB-CG2 3.51Å; V464-V515 HydrophobicContact CG1-CG2 3.62Å; V464-V515 HydrophobicContact CG2-CG2 4.06Å; L469-V515 HydrophobicContact CD2-CB 4.04Å; L469-V515 HydrophobicContact CD2-CG1 4.12Å; L469-V515 HydrophobicContact CD2-CG2 4.07Å; A508-V515 HydrophobicContact CB-CG1 4.26Å; V509-V515 WeakPolarHBondContact O-CA 3.29Å; V515-V517 HydrophobicContact CG1-CG2 4.35Å; V515-C537 CarbonylContact O-C 3.49Å; V515-C537 WeakPolarHBondContact O-CA 3.24Å; V515-Y538 PolarHBondContact N-O 3.27Å; V515-Y538 PolarHBondContact O-N 3.47Å
516	Y	98.6	Very high	96.3	Very high	14 Å²	14	47.5 Å²	47.5	6%	0.055	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.1	176.5	-65.2	-101.6	0	0	0	109.2	A508 V509 L511 R514 E536 C537 V548 I567 Y587	A508-Y516 VanDerWaalsContact CA-O 3.26Å; A508-Y516 WeakPolarHBondContact CA-O 3.47Å; V509-Y516 PolarHBondContact N-O 2.99Å; V509-Y516 PolarHBondContact O-N 3.29Å; L511-Y516 HydrophobicContact CB-CD2 4.16Å; L511-Y516 HydrophobicContact CB-CE2 3.94Å; R514-Y516 HydrophobicContact CB-CE2 3.91Å; Y516-E536 WeakPolarHBondContact CA-O 3.47Å; Y516-C537 HydrophobicContact CD1-CB 4.09Å; Y516-C537 HydrophobicContact CE1-CB 4.07Å; Y516-V548 HydrophobicContact CD1-CG2 4.25Å; Y516-V548 HydrophobicContact CE1-CG1 4.16Å; Y516-V548 HydrophobicContact CE1-CG2 4.43Å; Y516-I567 HydrophobicContact CD1-CD1 3.97Å; Y516-I567 HydrophobicContact CD2-CD1 3.65Å; Y516-I567 HydrophobicContact CE2-CD1 4.28Å; Y516-I567 HydrophobicContact CG-CD1 3.47Å; Y516-I567 VanDerWaalsContact CG-CD1 3.47Å; Y516-Y587 HydrophobicContact CD1-CE1 4.21Å; Y516-Y587 HydrophobicContact CE1-CD1 4.49Å; Y516-Y587 AromaticContact CE1-CE1 3.67Å; Y516-Y587 HydrophobicContact CE1-CE1 3.67Å
517	V	98.6	Very high	95.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.7	179.2	174.6	0	0	0	0	108.4	T471 L499 C507 A508 V515 V535 E536 W545	T471-V517 HydrophobicContact CG2-CG2 3.93Å; L499-V517 HydrophobicContact CD1-CG1 4.34Å; L499-V517 HydrophobicContact CD2-CG1 4.29Å; L499-V517 HydrophobicContact CD2-CG2 4.45Å; C507-V517 WeakPolarHBondContact O-CA 3.11Å; A508-V517 HydrophobicContact CB-CG2 4.29Å; V515-V517 HydrophobicContact CG1-CG2 4.35Å; V517-V535 WeakPolarHBondContact O-CA 3.23Å; V517-V535 WeakPolarHBondContact O-CG1 3.48Å; V517-E536 PolarHBondContact N-O 3.44Å; V517-E536 PolarHBondContact O-N 3.01Å; V517-W545 HydrophobicContact CB-CZ3 4.19Å; V517-W545 HydrophobicContact CG2-CH2 3.6Å; V517-W545 HydrophobicContact CG2-CZ3 3.64Å
518	M	98	Very high	95.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	148.4	-167.6	72.3	-159.4	97.5	0	0	112.3	H506 C507 V509 V535 I567 L569 W594	H506-M518 WeakPolarHBondContact CB-O 3.42Å; C507-M518 HydrophobicContact CB-CG 4.09Å; C507-M518 PolarHBondContact N-O 3.34Å; C507-M518 PolarHBondContact O-N 3.28Å; V509-M518 HydrophobicContact CB-CE 4.26Å; V509-M518 HydrophobicContact CG1-CE 3.97Å; V509-M518 HydrophobicContact CG2-CE 3.47Å; V509-M518 VanDerWaalsContact CG2-CE 3.47Å; M518-V535 HydrophobicContact CB-CG1 3.98Å; M518-V535 HydrophobicContact CB-CG2 3.97Å; M518-I567 HydrophobicContact CE-CG2 3.64Å; M518-I567 HydrophobicContact SD-CG2 3.68Å; M518-L569 HydrophobicContact CG-CD1 4.15Å; M518-L569 HydrophobicContact CG-CD2 4.22Å; M518-L569 HydrophobicContact SD-CB 4.44Å; M518-L569 HydrophobicContact SD-CD1 4.2Å; M518-W594 HydrophobicContact SD-CH2 3.72Å; M518-W594 HydrophobicContact SD-CZ2 4.36Å
519	G	97.5	Very high	95.4	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.01	29%	0.291	C	S	.	.			trans	65.1	-153.6	177.2	0	0	0	0	0	113.3	R503 H506 V532 V555	R503-G519 PolarHBondContact NH1-O 3.22Å; H506-G519 VanDerWaalsContact CB-O 3.25Å; H506-G519 WeakPolarHBondContact CB-O 3.27Å; G519-V532 WeakPolarHBondContact CA-O 3.41Å; G519-V555 WeakPolarHBondContact CA-O 3.47Å
520	G	97.5	Very high	95.4	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.01	30%	0.298	C	S	.	.			trans	82	-166.6	-171.6	0	0	0	0	0	112.5	G504 W505 V532 V555	G504-G520 VanDerWaalsContact O-CA 3.32Å; G504-G520 WeakPolarHBondContact O-CA 3.23Å; W505-G520 WeakPolarHBondContact O-CA 3.41Å; G520-V532 PolarHBondContact O-N 2.91Å; G520-V555 PolarHBondContact N-O 2.81Å
521	S	97.1	Very high	95.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158	-173.8	61.4	0	0	0	0	111.3	Y479 R503 G504 R529 V530	Y479-S521 VanDerWaalsContact CD1-O 3.27Å; Y479-S521 WeakPolarHBondContact CD1-O 3.42Å; Y479-S521 WeakPolarHBondContact CE1-O 3.37Å; Y479-S521 WeakPolarHBondContact CE1-OG 3.31Å; Y479-S521 PolarHBondContact OH-OG 2.81Å; R503-S521 WeakPolarHBondContact CA-O 3.48Å; G504-S521 PolarHBondContact N-O 3.13Å; G504-S521 PolarHBondContact O-N 3.28Å; G504-S521 PolarHBondContact O-OG 2.99Å; S521-R529 PolarHBondContact OG-NE 3.16Å; S521-R529 PolarHBondContact OG-NH2 3Å; S521-V530 CarbonylContact C-O 3.59Å; S521-V530 VanDerWaalsContact CA-O 3.23Å; S521-V530 WeakPolarHBondContact CA-O 3.37Å
522	Q	96.5	Very high	95.4	Very high	47 Å²	47	53.1 Å²	53.1	22%	0.22	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	-179.3	172.9	68.6	174	-20.8	0	0	111.3	P502 R529 V530 V532	P502-Q522 WeakPolarHBondContact O-CB 3.33Å; Q522-R529 WeakPolarHBondContact O-CA 3.2Å; Q522-V530 HydrophobicContact CG-CG2 3.52Å; Q522-V530 PolarHBondContact N-O 2.92Å; Q522-V530 PolarHBondContact O-N 2.82Å; Q522-V532 HydrophobicContact CB-CG2 3.87Å; Q522-V532 HydrophobicContact CG-CG2 3.77Å
523	L	95.7	Very high	95.6	Very high	104 Å²	104	50.9 Å²	50.9	55%	0.545	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.9	171	-158.9	70.4	0	0	0	110	Y479 G527	Y479-L523 HydrophobicContact CD2-CB 4.12Å; Y479-L523 HydrophobicContact CE2-CB 4.3Å; L523-G527 VanDerWaalsContact CD1-C 3.48Å; L523-G527 WeakPolarHBondContact CD1-O 3.14Å
524	G	92.3	Very high	95.8	Very high	17 Å²	17	45.1 Å²	45.1	18%	0.175	25%	0.248	C	C	.	.			trans	-76	173.4	174.7	0	0	0	0	0	112.7	R526 G527 E528	G524-R526 PolarHBondContact O-N 3.34Å; G524-R526 VanDerWaalsContact O-N 3.11Å; G524-G527 PolarHBondContact O-N 2.85Å; G524-E528 PolarHBondContact N-O 2.8Å
525	G	89.4	Confident	95.9	Very high	93 Å²	93	40.3 Å²	40.3	96%	0.959	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.3	-174.6	0	0	0	0	0	115
526	R	90.8	Very high	95.9	Very high	218 Å²	218	40.4 Å²	40.4	82%	0.823	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	11.4	176.4	-57.4	177	-70.9	-156.1	-3.2	112.4	G524 E528	G524-R526 PolarHBondContact O-N 3.34Å; G524-R526 VanDerWaalsContact O-N 3.11Å; R526-E528 VanDerWaalsContact C-N 3.31Å; R526-E528 VanDerWaalsContact C-OE2 3.31Å; R526-E528 VanDerWaalsContact CA-OE2 3.26Å; R526-E528 WeakPolarHBondContact CA-OE2 3.17Å; R526-E528 VanDerWaalsContact CB-OE2 3.27Å; R526-E528 WeakPolarHBondContact CB-OE2 3.39Å; R526-E528 IonicContact CZ-OE1 2.64Å; R526-E528 PolarHBondContact N-OE2 2.99Å; R526-E528 IonicContact NE-OE1 3.11Å; R526-E528 PolarHBondContact NE-OE1 2.99Å; R526-E528 IonicContact NH2-OE1 2.72Å; R526-E528 PolarHBondContact NH2-OE1 2.96Å
527	G	89.6	Confident	95.9	Very high	48 Å²	48	39.8 Å²	39.8	50%	0.495	23%	0.229	S	C	.	.	S	Bend	trans	80.9	8.7	-177.3	0	0	0	0	0	114.1	L523 G524	L523-G527 VanDerWaalsContact CD1-C 3.48Å; L523-G527 WeakPolarHBondContact CD1-O 3.14Å; G524-G527 PolarHBondContact O-N 2.85Å
528	E	93.6	Very high	95.8	Very high	61 Å²	61	40.1 Å²	40.1	29%	0.285	23%	0.23	S	C	.	.			trans	-81.3	149.5	174.9	73.8	-82.2	-126.6	0	0	111.5	G524 R526 V530	G524-E528 PolarHBondContact N-O 2.8Å; R526-E528 VanDerWaalsContact C-N 3.31Å; R526-E528 VanDerWaalsContact C-OE2 3.31Å; R526-E528 VanDerWaalsContact CA-OE2 3.26Å; R526-E528 WeakPolarHBondContact CA-OE2 3.17Å; R526-E528 VanDerWaalsContact CB-OE2 3.27Å; R526-E528 WeakPolarHBondContact CB-OE2 3.39Å; R526-E528 IonicContact CZ-OE1 2.64Å; R526-E528 PolarHBondContact N-OE2 2.99Å; R526-E528 IonicContact NE-OE1 3.11Å; R526-E528 PolarHBondContact NE-OE1 2.99Å; R526-E528 IonicContact NH2-OE1 2.72Å; R526-E528 PolarHBondContact NH2-OE1 2.96Å; E528-V530 HydrophobicContact CG-CG1 3.74Å
529	R	94.4	Very high	95.8	Very high	72 Å²	72	40.7 Å²	40.7	27%	0.272	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.3	171.8	-167.4	169.4	177.7	-139.2	2.6	109.5	Y479 W505 S521 Q522 E575	Y479-R529 VanDerWaalsContact OH-CD 3.25Å; Y479-R529 WeakPolarHBondContact OH-CD 3.46Å; Y479-R529 PolarHBondContact OH-NE 2.99Å; W505-R529 VanDerWaalsContact CD2-NH2 3.29Å; S521-R529 PolarHBondContact OG-NE 3.16Å; S521-R529 PolarHBondContact OG-NH2 3Å; Q522-R529 WeakPolarHBondContact O-CA 3.2Å; R529-E575 WeakPolarHBondContact CD-OE1 3.14Å; R529-E575 HydrophobicContact CG-CG 4Å; R529-E575 WeakPolarHBondContact CG-OE1 3.49Å; R529-E575 IonicContact CZ-OE1 2.93Å; R529-E575 IonicContact NE-OE1 2.97Å; R529-E575 PolarHBondContact NE-OE1 3Å; R529-E575 IonicContact NH1-OE1 3.41Å; R529-E575 PolarHBondContact NH1-OE1 3.01Å
530	V	96.9	Very high	95.5	Very high	40 Å²	40	42.4 Å²	42.4	24%	0.242	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151	-179.8	-58.4	0	0	0	0	111.1	S521 Q522 E528	S521-V530 CarbonylContact C-O 3.59Å; S521-V530 VanDerWaalsContact CA-O 3.23Å; S521-V530 WeakPolarHBondContact CA-O 3.37Å; Q522-V530 HydrophobicContact CG-CG2 3.52Å; Q522-V530 PolarHBondContact N-O 2.92Å; Q522-V530 PolarHBondContact O-N 2.82Å; E528-V530 HydrophobicContact CG-CG1 3.74Å
531	D	97.4	Very high	95.3	Very high	14 Å²	14	53.1 Å²	53.1	8%	0.075	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	148.6	175.7	-61.7	-60.5	0	0	0	111.6	E575 I576	D531-E575 PolarHBondContact OD1-N 3.11Å; D531-E575 PolarHBondContact OD2-N 2.74Å; D531-I576 PolarHBondContact OD2-N 2.97Å
532	V	97.8	Very high	95.1	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	30%	0.304	C	S	.	.			trans	-104.4	104.3	173.4	-174	0	0	0	0	109.6	T501 R503 G519 G520 Q522	T501-V532 HydrophobicContact CG2-CG1 4.12Å; T501-V532 HydrophobicContact CG2-CG2 4.48Å; R503-V532 HydrophobicContact CB-CG2 4.16Å; R503-V532 VanDerWaalsContact CZ-CG1 3.43Å; G519-V532 WeakPolarHBondContact CA-O 3.41Å; G520-V532 PolarHBondContact O-N 2.91Å; Q522-V532 HydrophobicContact CB-CG2 3.87Å; Q522-V532 HydrophobicContact CG-CG2 3.77Å
533	L	97.6	Very high	94.9	Very high	65 Å²	65	55.3 Å²	55.3	34%	0.34	30%	0.303	S	S	.	.			trans	-80.4	-38.2	178.1	-54.4	179.6	0	0	0	114.4	V535 P550 L551 G554	L533-V535 PolarHBondContact O-N 3.22Å; L533-P550 HydrophobicContact CB-CB 4.43Å; L533-P550 WeakPolarHBondContact O-CA 3.37Å; L533-L551 HydrophobicContact CD2-CB 4.4Å; L533-L551 PolarHBondContact O-N 2.96Å; L533-G554 VanDerWaalsContact CD2-CA 3.49Å
534	P	98	Very high	94.9	Very high	50 Å²	50	56.2 Å²	56.2	33%	0.325	30%	0.304	S	S	.	.			trans	-61.6	128.9	179.8	-24.9	35.2	0	0	0	112.6	R503 Y547	R503-P534 PolarHBondContact NH1-O 3.14Å; R503-P534 PolarHBondContact NH2-O 3.41Å; P534-Y547 HydrophobicContact CB-CD1 4.16Å; P534-Y547 HydrophobicContact CB-CE1 3.88Å
535	V	98.4	Very high	95.2	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.8	176.1	-177.8	0	0	0	0	108.6	V517 M518 L533 V548 L551 W594	V517-V535 WeakPolarHBondContact O-CA 3.23Å; V517-V535 WeakPolarHBondContact O-CG1 3.48Å; M518-V535 HydrophobicContact CB-CG1 3.98Å; M518-V535 HydrophobicContact CB-CG2 3.97Å; L533-V535 PolarHBondContact O-N 3.22Å; V535-V548 HydrophobicContact CB-CG2 3.62Å; V535-V548 HydrophobicContact CG1-CG2 3.4Å; V535-V548 VanDerWaalsContact CG1-CG2 3.4Å; V535-V548 PolarHBondContact O-N 2.92Å; V535-L551 HydrophobicContact CG2-CD2 4.47Å; V535-L551 HydrophobicContact CG2-CG 3.96Å; V535-W594 HydrophobicContact CG1-CZ2 4.48Å; V535-W594 HydrophobicContact CG2-CZ2 3.96Å
536	E	98.4	Very high	95.5	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.5	-178.4	-65.2	-178.5	-103.6	0	0	109.5	L499 S500 R503 Y516 V517 W545 Y547	L499-E536 HydrophobicContact CD2-CB 4.41Å; S500-E536 WeakPolarHBondContact CB-OE2 3.34Å; S500-E536 PolarHBondContact N-OE2 3.16Å; S500-E536 PolarHBondContact OG-OE2 2.86Å; R503-E536 IonicContact CZ-OE1 3.37Å; R503-E536 IonicContact NE-OE1 3.13Å; R503-E536 IonicContact NH2-OE1 2.81Å; R503-E536 PolarHBondContact NH2-OE1 2.74Å; Y516-E536 WeakPolarHBondContact CA-O 3.47Å; V517-E536 PolarHBondContact N-O 3.44Å; V517-E536 PolarHBondContact O-N 3.01Å; E536-W545 HydrophobicContact CB-CE3 3.72Å; E536-W545 HydrophobicContact CB-CZ3 4.1Å; E536-Y547 HydrophobicContact CG-CD1 4.13Å; E536-Y547 HydrophobicContact CG-CE1 3.82Å
537	C	97.7	Very high	95.9	Very high	1 Å²	1	51 Å²	51	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.3	-180	-179.1	0	0	0	0	109.5	V515 Y516 W545 S546 V548	V515-C537 CarbonylContact O-C 3.49Å; V515-C537 WeakPolarHBondContact O-CA 3.24Å; Y516-C537 HydrophobicContact CD1-CB 4.09Å; Y516-C537 HydrophobicContact CE1-CB 4.07Å; C537-W545 CarbonylContact O-C 3.6Å; C537-W545 WeakPolarHBondContact O-CA 3.32Å; C537-S546 PolarHBondContact N-O 2.85Å; C537-S546 PolarHBondContact O-N 3.01Å; C537-S546 PolarHBondContact O-OG 3.02Å; C537-V548 HydrophobicContact CB-CG1 3.88Å
538	Y	98.1	Very high	96.3	Very high	8 Å²	8	49.9 Å²	49.9	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132	174.4	-177.9	-108.2	0	0	0	109.9	V464 L469 M485 R514 V515 P540 Q544 W545	V464-Y538 HydrophobicContact CG1-CD1 4.45Å; V464-Y538 HydrophobicContact CG1-CE1 4.45Å; L469-Y538 HydrophobicContact CD1-CE1 4.37Å; L469-Y538 HydrophobicContact CD2-CD1 3.73Å; L469-Y538 HydrophobicContact CD2-CE1 4.25Å; L469-Y538 HydrophobicContact CD2-CG 3.99Å; M485-Y538 HydrophobicContact CE-CE1 4.23Å; R514-Y538 WeakPolarHBondContact CA-O 3.18Å; R514-Y538 WeakPolarHBondContact CB-O 3.43Å; V515-Y538 PolarHBondContact N-O 3.27Å; V515-Y538 PolarHBondContact O-N 3.47Å; Y538-P540 HydrophobicContact CE1-CB 4.22Å; Y538-Q544 WeakPolarHBondContact CD2-O 3.42Å; Y538-W545 HydrophobicContact CD2-CD2 4.05Å; Y538-W545 AromaticContact CD2-CE2 3.72Å; Y538-W545 HydrophobicContact CD2-CG 4.41Å; Y538-W545 AromaticContact CD2-CZ2 3.99Å; Y538-W545 HydrophobicContact CD2-CZ2 3.99Å; Y538-W545 AromaticContact CD2-NE1 3.92Å; Y538-W545 HydrophobicContact CG-CH2 4.33Å; Y538-W545 HydrophobicContact CG-CZ2 4.19Å
539	S	96.1	Very high	96.5	Very high	11 Å²	11	47.9 Å²	47.9	8%	0.077	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.6	162.7	141.6	0	0	0	0	110.3	Y541 M542 G543 Q544	S539-Y541 VanDerWaalsContact C-N 3.25Å; S539-Y541 PolarHBondContact O-N 3.47Å; S539-Y541 PolarHBondContact OG-N 3.02Å; S539-M542 VanDerWaalsContact C-SD 3.59Å; S539-M542 WeakPolarHBondContact CB-SD 3.41Å; S539-M542 PolarHBondContact OG-SD 2.97Å; S539-G543 PolarHBondContact O-N 3.46Å; S539-G543 VanDerWaalsContact O-N 3.09Å; S539-Q544 PolarHBondContact N-O 2.86Å
540	P	93.2	Very high	96.7	Very high	38 Å²	38	48 Å²	48	25%	0.247	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-26.5	178.9	30.5	-36.7	0	0	0	111.9	V464 D465 E513 Y538	V464-P540 HydrophobicContact CG2-CB 3.9Å; V464-P540 HydrophobicContact CG2-CG 3.6Å; D465-P540 HydrophobicContact CB-CB 3.83Å; D465-P540 HydrophobicContact CB-CG 4.25Å; E513-P540 WeakPolarHBondContact O-CD 3.29Å; E513-P540 WeakPolarHBondContact O-CG 3.39Å; Y538-P540 HydrophobicContact CE1-CB 4.22Å
541	Y	91.5	Very high	96.7	Very high	226 Å²	226	46.3 Å²	46.3	89%	0.886	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-43.5	-175.9	179.6	-96.9	0	0	0	112.8	S539	S539-Y541 VanDerWaalsContact C-N 3.25Å; S539-Y541 PolarHBondContact O-N 3.47Å; S539-Y541 PolarHBondContact OG-N 3.02Å
542	M	92.8	Very high	96.6	Very high	72 Å²	72	51.3 Å²	51.3	36%	0.355	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-8.7	178.5	64	2	175.5	0	0	113.9	S539 Q544	S539-M542 VanDerWaalsContact C-SD 3.59Å; S539-M542 WeakPolarHBondContact CB-SD 3.41Å; S539-M542 PolarHBondContact OG-SD 2.97Å; M542-Q544 VanDerWaalsContact C-N 3.25Å; M542-Q544 HydrophobicContact CE-CB 3.69Å; M542-Q544 WeakPolarHBondContact CE-O 3.35Å; M542-Q544 HydrophobicContact CG-CB 3.97Å; M542-Q544 HydrophobicContact CG-CG 4.34Å; M542-Q544 PolarHBondContact O-N 3.45Å; M542-Q544 HydrophobicContact SD-CB 3.76Å; M542-Q544 PolarHBondContact SD-N 3.02Å
543	G	93.6	Very high	96.5	Very high	20 Å²	20	52.5 Å²	52.5	21%	0.206	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	24.1	-179.6	0	0	0	0	0	114.7	S497 S539	S497-G543 PolarHBondContact OG-O 2.81Å; S539-G543 PolarHBondContact O-N 3.46Å; S539-G543 VanDerWaalsContact O-N 3.09Å
544	Q	95.4	Very high	96.4	Very high	123 Å²	123	49.5 Å²	49.5	58%	0.575	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	163.1	-174.7	-67.9	177.2	-11.1	0	0	112	Y538 S539 M542	Y538-Q544 WeakPolarHBondContact CD2-O 3.42Å; S539-Q544 PolarHBondContact N-O 2.86Å; M542-Q544 VanDerWaalsContact C-N 3.25Å; M542-Q544 HydrophobicContact CE-CB 3.69Å; M542-Q544 WeakPolarHBondContact CE-O 3.35Å; M542-Q544 HydrophobicContact CG-CB 3.97Å; M542-Q544 HydrophobicContact CG-CG 4.34Å; M542-Q544 PolarHBondContact O-N 3.45Å; M542-Q544 HydrophobicContact SD-CB 3.76Å; M542-Q544 PolarHBondContact SD-N 3.02Å
545	W	97.9	Very high	96.4	Very high	39 Å²	39	47.2 Å²	47.2	15%	0.148	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	142	172.7	-66.9	96.5	0	0	0	110	L469 T471 V483 S497 L499 V517 E536 C537 Y538	L469-W545 HydrophobicContact CD2-CH2 4.05Å; L469-W545 HydrophobicContact CD2-CZ2 4.17Å; T471-W545 HydrophobicContact CG2-CH2 3.83Å; T471-W545 HydrophobicContact CG2-CZ2 4.1Å; V483-W545 HydrophobicContact CG1-CZ2 4.18Å; V483-W545 HydrophobicContact CG2-CZ2 3.95Å; S497-W545 PolarHBondContact O-NE1 2.95Å; L499-W545 HydrophobicContact CD2-CD2 4.04Å; L499-W545 HydrophobicContact CD2-CE3 3.99Å; L499-W545 HydrophobicContact CD2-CH2 3.61Å; L499-W545 HydrophobicContact CD2-CZ2 3.65Å; L499-W545 HydrophobicContact CD2-CZ3 3.76Å; V517-W545 HydrophobicContact CB-CZ3 4.19Å; V517-W545 HydrophobicContact CG2-CH2 3.6Å; V517-W545 HydrophobicContact CG2-CZ3 3.64Å; E536-W545 HydrophobicContact CB-CE3 3.72Å; E536-W545 HydrophobicContact CB-CZ3 4.1Å; C537-W545 CarbonylContact O-C 3.6Å; C537-W545 WeakPolarHBondContact O-CA 3.32Å; Y538-W545 HydrophobicContact CD2-CD2 4.05Å; Y538-W545 AromaticContact CD2-CE2 3.72Å; Y538-W545 HydrophobicContact CD2-CG 4.41Å; Y538-W545 AromaticContact CD2-CZ2 3.99Å; Y538-W545 HydrophobicContact CD2-CZ2 3.99Å; Y538-W545 AromaticContact CD2-NE1 3.92Å; Y538-W545 HydrophobicContact CG-CH2 4.33Å; Y538-W545 HydrophobicContact CG-CZ2 4.19Å
546	S	96.9	Very high	96.3	Very high	48 Å²	48	47.2 Å²	47.2	34%	0.336	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	156	171	59.6	0	0	0	0	110.3	C537	C537-S546 PolarHBondContact N-O 2.85Å; C537-S546 PolarHBondContact O-N 3.01Å; C537-S546 PolarHBondContact O-OG 3.02Å
547	Y	98.1	Very high	96.2	Very high	133 Å²	133	48.5 Å²	48.5	52%	0.522	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	146.1	172.6	-68.5	-76	0	0	0	111.5	S500 P534 E536	S500-Y547 WeakPolarHBondContact CB-OH 3.28Å; S500-Y547 PolarHBondContact OG-OH 3.32Å; S500-Y547 VanDerWaalsContact OG-OH 3.07Å; P534-Y547 HydrophobicContact CB-CD1 4.16Å; P534-Y547 HydrophobicContact CB-CE1 3.88Å; E536-Y547 HydrophobicContact CG-CD1 4.13Å; E536-Y547 HydrophobicContact CG-CE1 3.82Å
548	V	98.1	Very high	96.2	Very high	24 Å²	24	49.1 Å²	49.1	15%	0.145	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-178.3	165.5	-60.9	0	0	0	0	108.8	Y516 V535 C537 Y587 N592	Y516-V548 HydrophobicContact CD1-CG2 4.25Å; Y516-V548 HydrophobicContact CE1-CG1 4.16Å; Y516-V548 HydrophobicContact CE1-CG2 4.43Å; V535-V548 HydrophobicContact CB-CG2 3.62Å; V535-V548 HydrophobicContact CG1-CG2 3.4Å; V535-V548 VanDerWaalsContact CG1-CG2 3.4Å; V535-V548 PolarHBondContact O-N 2.92Å; C537-V548 HydrophobicContact CB-CG1 3.88Å; V548-Y587 HydrophobicContact CB-CE2 4.29Å; V548-Y587 WeakPolarHBondContact CB-OH 3.36Å; V548-Y587 HydrophobicContact CG2-CE2 4.26Å; V548-N592 WeakPolarHBondContact CB-OD1 3.38Å
549	A	98.3	Very high	96.1	Very high	18 Å²	18	48.9 Å²	48.9	15%	0.149	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-51.6	134.3	179.1	0	0	0	0	0	111.7	Y587 N592 W594	A549-Y587 HydrophobicContact CB-CE2 4.35Å; A549-N592 WeakPolarHBondContact CB-O 3.31Å; A549-N592 PolarHBondContact N-OD1 3.16Å; A549-W594 VanDerWaalsContact O-CD1 3.3Å; A549-W594 PolarHBondContact O-NE1 3.42Å
550	P	98.1	Very high	96.2	Very high	75 Å²	75	49.3 Å²	49.3	49%	0.487	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-72.6	157.4	179.5	31.8	-35.4	0	0	0	110.9	L533	L533-P550 HydrophobicContact CB-CB 4.43Å; L533-P550 WeakPolarHBondContact O-CA 3.37Å
551	L	97.5	Very high	96.4	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.026	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-61.1	141.5	171.5	-69.4	172.3	0	0	0	110.8	L533 V535 L569 W594	L533-L551 HydrophobicContact CD2-CB 4.4Å; L533-L551 PolarHBondContact O-N 2.96Å; V535-L551 HydrophobicContact CG2-CD2 4.47Å; V535-L551 HydrophobicContact CG2-CG 3.96Å; L551-L569 HydrophobicContact CD1-CD2 3.82Å; L551-L569 HydrophobicContact CD2-CD2 3.7Å; L551-L569 HydrophobicContact CG-CD2 4.45Å; L551-W594 HydrophobicContact CD2-CD2 3.84Å; L551-W594 HydrophobicContact CD2-CE3 3.92Å; L551-W594 HydrophobicContact CD2-CH2 3.68Å; L551-W594 HydrophobicContact CD2-CZ2 3.59Å; L551-W594 HydrophobicContact CD2-CZ3 3.83Å
552	Q	94.9	Very high	96.7	Very high	118 Å²	118	39.3 Å²	39.3	55%	0.551	22%	0.216	S	C	*	.	S	Bend	trans	-75.7	-37	173.5	-66.5	-179.2	-13.4	0	0	111.1	W594	Q552-W594 HydrophobicContact CG-CB 4.33Å; Q552-W594 PolarHBondContact NE2-O 3.03Å
553	T	95.8	Very high	96.9	Very high	26 Å²	26	36.8 Å²	36.8	16%	0.16	20%	0.204	C	C	.	.	S	Bend	trans	-122.4	123	176.9	-64.9	0	0	0	0	110.1	V555 K581 Q585	T553-V555 HydrophobicContact CG2-CG1 4.19Å; T553-V555 PolarHBondContact O-N 3.02Å; T553-K581 HydrophobicContact CG2-CG 4.5Å; T553-Q585 PolarHBondContact O-NE2 3.03Å; T553-Q585 PolarHBondContact O-OE1 3.01Å
554	G	96.4	Very high	96.9	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.031	23%	0.226	C	C	.	.			trans	-67.2	128.3	174.7	0	0	0	0	0	111.9	L533 N574	L533-G554 VanDerWaalsContact CD2-CA 3.49Å; G554-N574 WeakPolarHBondContact O-CB 3.48Å; G554-N574 PolarHBondContact O-ND2 2.93Å
555	V	97.4	Very high	96.9	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	22%	0.218	C	C	.	.			trans	-142.6	141	176.9	-65.5	0	0	0	0	111.5	G519 G520 T553 A558 L569 G571 W573 K581	G519-V555 WeakPolarHBondContact CA-O 3.47Å; G520-V555 PolarHBondContact N-O 2.81Å; T553-V555 HydrophobicContact CG2-CG1 4.19Å; T553-V555 PolarHBondContact O-N 3.02Å; V555-A558 HydrophobicContact CB-CB 4.39Å; V555-A558 HydrophobicContact CG2-CB 3.9Å; V555-L569 HydrophobicContact CG2-CD2 3.43Å; V555-L569 VanDerWaalsContact CG2-CD2 3.43Å; V555-L569 HydrophobicContact CG2-CG 3.93Å; V555-G571 WeakPolarHBondContact CG1-O 3.44Å; V555-W573 CarbonylContact C-O 3.5Å; V555-W573 WeakPolarHBondContact CA-O 3.38Å; V555-K581 HydrophobicContact CG1-CB 4.36Å; V555-K581 HydrophobicContact CG1-CG 4.15Å
556	S	96.8	Very high	96.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-119.3	158.6	168.5	63.4	0	0	0	0	110.2	W505 A558 G572 W573	W505-S556 WeakPolarHBondContact O-CA 3.37Å; S556-A558 PolarHBondContact O-N 2.9Å; S556-A558 VanDerWaalsContact O-N 3.15Å; S556-G572 CarbonylContact O-C 3.53Å; S556-G572 VanDerWaalsContact O-CA 3.24Å; S556-G572 WeakPolarHBondContact O-CA 3.25Å; S556-W573 PolarHBondContact N-O 3.21Å; S556-W573 PolarHBondContact O-N 3.45Å; S556-W573 PolarHBondContact OG-O 3.27Å
557	T	95.4	Very high	97	Very high	27 Å²	27	36.8 Å²	36.8	17%	0.166	21%	0.208	C	C	.	.	S	Bend	trans	57.3	26.1	-177.7	68.4	0	0	0	0	114.3	W505 G606	W505-T557 HydrophobicContact CB-CG2 3.95Å; W505-T557 HydrophobicContact CG-CG2 3.94Å; W505-T557 PolarHBondContact O-N 3.04Å; T557-G606 WeakPolarHBondContact O-CA 3.47Å; T557-G606 PolarHBondContact O-N 3.21Å
558	A	97.3	Very high	97	Very high	14 Å²	14	31.5 Å²	31.5	12%	0.116	19%	0.188	C	C	.	.			trans	-78.7	161.8	174.1	0	0	0	0	0	111	C507 V555 S556 L569 G571	C507-A558 PolarHBondContact SG-O 2.91Å; V555-A558 HydrophobicContact CB-CB 4.39Å; V555-A558 HydrophobicContact CG2-CB 3.9Å; S556-A558 PolarHBondContact O-N 2.9Å; S556-A558 VanDerWaalsContact O-N 3.15Å; A558-L569 HydrophobicContact CB-CD1 3.68Å; A558-L569 HydrophobicContact CB-CG 4.05Å; A558-G571 WeakPolarHBondContact CB-O 3.49Å
559	G	97.4	Very high	97	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	145.2	166.5	0	0	0	0	0	110.4	L569 V570 V607	G559-L569 CarbonylContact O-C 3.54Å; G559-L569 WeakPolarHBondContact O-CA 3.5Å; G559-V570 PolarHBondContact N-O 2.87Å; G559-V570 PolarHBondContact O-N 2.99Å; G559-V607 VanDerWaalsContact CA-O 3.29Å; G559-V607 WeakPolarHBondContact CA-O 3.29Å; G559-V607 PolarHBondContact N-O 2.84Å
560	A	97.8	Very high	96.9	Very high	21 Å²	21	29.6 Å²	29.6	17%	0.174	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.9	175.4	0	0	0	0	0	112.5	C507 V509 Y568 L569	C507-A560 HydrophobicContact CB-CB 3.59Å; V509-A560 HydrophobicContact CG1-CB 3.69Å; A560-Y568 WeakPolarHBondContact CA-O 3.36Å; A560-L569 HydrophobicContact CB-CD1 4Å
561	S	97.8	Very high	96.9	Very high	15 Å²	15	26 Å²	26	11%	0.105	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	165.3	174	-170.5	0	0	0	0	111.1	Y568 C610 T611	S561-Y568 PolarHBondContact N-O 2.86Å; S561-Y568 PolarHBondContact O-N 2.95Å; S561-C610 WeakPolarHBondContact OG-CA 3.37Å; S561-T611 PolarHBondContact OG-N 2.85Å; S561-T611 PolarHBondContact OG-OG1 3.26Å
562	T	97.5	Very high	96.8	Very high	39 Å²	39	25.8 Å²	25.8	24%	0.239	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.4	173.9	59.9	0	0	0	0	111.5	V509 L511 K566 I567 T611	V509-T562 HydrophobicContact CB-CG2 4.25Å; V509-T562 HydrophobicContact CG2-CG2 4.16Å; L511-T562 HydrophobicContact CB-CG2 4.16Å; L511-T562 HydrophobicContact CD1-CG2 4.36Å; T562-K566 CarbonylContact C-O 3.4Å; T562-K566 WeakPolarHBondContact CA-O 3.23Å; T562-I567 HydrophobicContact CG2-CG1 4.26Å; T562-T611 WeakPolarHBondContact O-CB 3.12Å; T562-T611 PolarHBondContact O-OG1 3.21Å
563	L	96.2	Very high	96.9	Very high	18 Å²	18	23 Å²	23	9%	0.094	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	132.3	174.8	174.6	67	0	0	0	109	R316 L318 G565 K566 Y568 T611	R316-L563 HydrophobicContact CB-CD1 3.78Å; L318-L563 HydrophobicContact CB-CD2 4.37Å; L563-G565 VanDerWaalsContact C-N 3.3Å; L563-G565 PolarHBondContact O-N 3.09Å; L563-K566 PolarHBondContact N-O 3.4Å; L563-K566 PolarHBondContact O-N 3.37Å; L563-Y568 HydrophobicContact CB-CD2 4Å; L563-Y568 HydrophobicContact CB-CE2 3.71Å; L563-Y568 HydrophobicContact CD2-CE2 4.46Å; L563-Y568 HydrophobicContact CG-CE2 4.43Å; L563-T611 HydrophobicContact CB-CG2 4.34Å; L563-T611 HydrophobicContact CD1-CG2 3.63Å
564	N	94.1	Very high	96.9	Very high	125 Å²	125	22 Å²	22	67%	0.668	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	45.7	175.9	-58.8	-16	0	0	0	114.3	K566	N564-K566 VanDerWaalsContact C-N 3.27Å; N564-K566 PolarHBondContact O-N 2.93Å
565	G	96.1	Very high	96.9	Very high	39 Å²	39	22.4 Å²	22.4	40%	0.402	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	5	178	0	0	0	0	0	115.2	L511 L563 P589	L511-G565 WeakPolarHBondContact CD2-O 3.49Å; L563-G565 VanDerWaalsContact C-N 3.3Å; L563-G565 PolarHBondContact O-N 3.09Å; G565-P589 WeakPolarHBondContact O-CD 3.26Å; G565-P589 WeakPolarHBondContact O-CG 3.27Å
566	K	97.7	Very high	96.6	Very high	67 Å²	67	28.7 Å²	28.7	29%	0.291	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	159.9	179.4	-60.9	-173.1	-175.8	-179.1	0	111.7	T562 L563 N564 Y568 C586 Y587	T562-K566 CarbonylContact C-O 3.4Å; T562-K566 WeakPolarHBondContact CA-O 3.23Å; L563-K566 PolarHBondContact N-O 3.4Å; L563-K566 PolarHBondContact O-N 3.37Å; N564-K566 VanDerWaalsContact C-N 3.27Å; N564-K566 PolarHBondContact O-N 2.93Å; K566-Y568 HydrophobicContact CB-CE2 3.94Å; K566-C586 VanDerWaalsContact CD-SG 3.57Å; K566-Y587 WeakPolarHBondContact CA-O 3.21Å; K566-Y587 WeakPolarHBondContact CB-O 3.06Å
567	I	98.5	Very high	96.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.2	174.7	-58.7	171.9	0	0	0	108.9	V509 L511 Y516 M518 T562 C586 Y587 W594	V509-I567 HydrophobicContact CG2-CB 4.41Å; V509-I567 HydrophobicContact CG2-CD1 3.6Å; V509-I567 HydrophobicContact CG2-CG1 3.78Å; V509-I567 HydrophobicContact CG2-CG2 3.82Å; L511-I567 HydrophobicContact CB-CD1 4.42Å; L511-I567 HydrophobicContact CB-CG1 4.36Å; L511-I567 HydrophobicContact CD2-CD1 3.99Å; L511-I567 HydrophobicContact CD2-CG1 3.55Å; Y516-I567 HydrophobicContact CD1-CD1 3.97Å; Y516-I567 HydrophobicContact CD2-CD1 3.65Å; Y516-I567 HydrophobicContact CE2-CD1 4.28Å; Y516-I567 HydrophobicContact CG-CD1 3.47Å; Y516-I567 VanDerWaalsContact CG-CD1 3.47Å; M518-I567 HydrophobicContact CE-CG2 3.64Å; M518-I567 HydrophobicContact SD-CG2 3.68Å; T562-I567 HydrophobicContact CG2-CG1 4.26Å; I567-C586 CarbonylContact O-C 3.57Å; I567-C586 VanDerWaalsContact O-CA 3.28Å; I567-C586 WeakPolarHBondContact O-CA 3.15Å; I567-Y587 HydrophobicContact CD1-CD1 4Å; I567-Y587 HydrophobicContact CG1-CD1 4.44Å; I567-Y587 PolarHBondContact N-O 3.23Å; I567-Y587 VanDerWaalsContact N-O 3.16Å; I567-Y587 PolarHBondContact O-N 3.12Å; I567-W594 HydrophobicContact CG2-CH2 4.34Å
568	Y	98.1	Very high	96.5	Very high	22 Å²	22	37.1 Å²	37.1	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	131.8	175	-67.5	-96.4	0	0	0	109.6	L318 A560 S561 L563 K566 I584 Q585 C586	L318-Y568 HydrophobicContact CD1-CG 4.42Å; L318-Y568 HydrophobicContact CD2-CD1 4.2Å; L318-Y568 HydrophobicContact CD2-CG 4.16Å; A560-Y568 WeakPolarHBondContact CA-O 3.36Å; S561-Y568 PolarHBondContact N-O 2.86Å; S561-Y568 PolarHBondContact O-N 2.95Å; L563-Y568 HydrophobicContact CB-CD2 4Å; L563-Y568 HydrophobicContact CB-CE2 3.71Å; L563-Y568 HydrophobicContact CD2-CE2 4.46Å; L563-Y568 HydrophobicContact CG-CE2 4.43Å; K566-Y568 HydrophobicContact CB-CE2 3.94Å; Y568-I584 HydrophobicContact CD1-CG2 3.85Å; Y568-Q585 CarbonylContact C-O 3.52Å; Y568-Q585 WeakPolarHBondContact CA-O 3.44Å; Y568-C586 HydrophobicContact CD1-CB 4.12Å; Y568-C586 HydrophobicContact CE1-CB 3.93Å
569	L	98	Very high	96.3	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.1	173.8	-172.4	67.9	0	0	0	108.5	C507 M518 L551 V555 A558 G559 A560 I584 Q585 W594	C507-L569 HydrophobicContact CB-CD1 4.13Å; M518-L569 HydrophobicContact CG-CD1 4.15Å; M518-L569 HydrophobicContact CG-CD2 4.22Å; M518-L569 HydrophobicContact SD-CB 4.44Å; M518-L569 HydrophobicContact SD-CD1 4.2Å; L551-L569 HydrophobicContact CD1-CD2 3.82Å; L551-L569 HydrophobicContact CD2-CD2 3.7Å; L551-L569 HydrophobicContact CG-CD2 4.45Å; V555-L569 HydrophobicContact CG2-CD2 3.43Å; V555-L569 VanDerWaalsContact CG2-CD2 3.43Å; V555-L569 HydrophobicContact CG2-CG 3.93Å; A558-L569 HydrophobicContact CB-CD1 3.68Å; A558-L569 HydrophobicContact CB-CG 4.05Å; G559-L569 CarbonylContact O-C 3.54Å; G559-L569 WeakPolarHBondContact O-CA 3.5Å; A560-L569 HydrophobicContact CB-CD1 4Å; L569-I584 CarbonylContact O-C 3.57Å; L569-I584 WeakPolarHBondContact O-CA 3.45Å; L569-Q585 HydrophobicContact CB-CB 4.42Å; L569-Q585 PolarHBondContact N-O 3.21Å; L569-Q585 PolarHBondContact O-N 2.92Å; L569-W594 HydrophobicContact CB-CZ3 4.31Å
570	V	97.1	Very high	96.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.2	-160.4	-179.8	0	0	0	0	110.8	L318 T320 G559 I584 L600	L318-V570 HydrophobicContact CD2-CG2 3.9Å; T320-V570 HydrophobicContact CG2-CG1 3.83Å; G559-V570 PolarHBondContact N-O 2.87Å; G559-V570 PolarHBondContact O-N 2.99Å; V570-I584 HydrophobicContact CG1-CG1 4.28Å; V570-I584 HydrophobicContact CG2-CG1 4.35Å; V570-I584 HydrophobicContact CG2-CG2 4.12Å; V570-L600 HydrophobicContact CG1-CD1 3.74Å; V570-L600 HydrophobicContact CG1-CD2 3.57Å; V570-L600 HydrophobicContact CG1-CG 3.76Å
571	G	96.4	Very high	96.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.228	C	C	.	.			trans	65.8	-147.2	176	0	0	0	0	0	113.9	V555 A558 K581 C583	V555-G571 WeakPolarHBondContact CG1-O 3.44Å; A558-G571 WeakPolarHBondContact CB-O 3.49Å; G571-K581 WeakPolarHBondContact CA-O 3.33Å; G571-C583 PolarHBondContact N-O 2.71Å
572	G	96.2	Very high	96	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.239	C	C	.	.			trans	101.9	-176.3	178.3	0	0	0	0	0	114.5	S556 Y580 K581 T604	S556-G572 CarbonylContact O-C 3.53Å; S556-G572 VanDerWaalsContact O-CA 3.24Å; S556-G572 WeakPolarHBondContact O-CA 3.25Å; G572-Y580 WeakPolarHBondContact O-CA 3.34Å; G572-K581 PolarHBondContact O-N 3.42Å; G572-T604 PolarHBondContact N-O 3.21Å
573	W	96.4	Very high	95.9	Very high	58 Å²	58	47.6 Å²	47.6	22%	0.22	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.5	-178.3	174	-99.9	0	0	0	109.9	V555 S556 E575 K578 Y580 V605	V555-W573 CarbonylContact C-O 3.5Å; V555-W573 WeakPolarHBondContact CA-O 3.38Å; S556-W573 PolarHBondContact N-O 3.21Å; S556-W573 PolarHBondContact O-N 3.45Å; S556-W573 PolarHBondContact OG-O 3.27Å; W573-E575 VanDerWaalsContact CD1-CD 3.44Å; W573-E575 PolarHBondContact NE1-OE1 2.98Å; W573-E575 PolarHBondContact NE1-OE2 3.09Å; W573-E575 VanDerWaalsContact NE1-OE2 3.07Å; W573-K578 HydrophobicContact CH2-CB 3.98Å; W573-K578 WeakPolarHBondContact CH2-O 3.03Å; W573-K578 HydrophobicContact CZ2-CB 3.94Å; W573-K578 HydrophobicContact CZ2-CD 3.81Å; W573-K578 VanDerWaalsContact CZ3-C 3.49Å; W573-K578 WeakPolarHBondContact CZ3-O 3.3Å; W573-Y580 AromaticContact CE3-CD1 3.32Å; W573-Y580 HydrophobicContact CE3-CD1 3.32Å; W573-Y580 AromaticContact CE3-CE1 3.42Å; W573-Y580 HydrophobicContact CE3-CE1 3.42Å; W573-Y580 VanDerWaalsContact CE3-CE1 3.42Å; W573-Y580 AromaticContact CZ3-CD1 3.43Å; W573-Y580 HydrophobicContact CZ3-CD1 3.43Å; W573-Y580 VanDerWaalsContact CZ3-CD1 3.43Å; W573-Y580 AromaticContact CZ3-CE1 3.33Å; W573-Y580 HydrophobicContact CZ3-CE1 3.33Å; W573-V605 HydrophobicContact CB-CG1 3.95Å
574	N	97.4	Very high	95.9	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.032	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.9	172.7	179.4	-84	0	0	0	109.5	G554 I576 E577 K578 K579 K581	G554-N574 WeakPolarHBondContact O-CB 3.48Å; G554-N574 PolarHBondContact O-ND2 2.93Å; N574-I576 PolarHBondContact OD1-N 3.46Å; N574-I576 VanDerWaalsContact OD1-N 3.15Å; N574-E577 VanDerWaalsContact OD1-CB 3.31Å; N574-E577 WeakPolarHBondContact OD1-CB 3.16Å; N574-E577 WeakPolarHBondContact OD1-CG 3.33Å; N574-E577 PolarHBondContact OD1-N 2.87Å; N574-K578 WeakPolarHBondContact O-CA 3.44Å; N574-K578 PolarHBondContact O-N 3.33Å; N574-K579 PolarHBondContact N-O 3.03Å; N574-K579 PolarHBondContact O-N 3.43Å; N574-K581 HydrophobicContact CB-CD 3.93Å; N574-K581 HydrophobicContact CB-CG 3.79Å
575	E	95.4	Very high	96.1	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.056	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-29.1	-176.7	-72.7	-66.6	172.6	0	0	113.5	R529 D531 W573 K578	R529-E575 WeakPolarHBondContact CD-OE1 3.14Å; R529-E575 HydrophobicContact CG-CG 4Å; R529-E575 WeakPolarHBondContact CG-OE1 3.49Å; R529-E575 IonicContact CZ-OE1 2.93Å; R529-E575 IonicContact NE-OE1 2.97Å; R529-E575 PolarHBondContact NE-OE1 3Å; R529-E575 IonicContact NH1-OE1 3.41Å; R529-E575 PolarHBondContact NH1-OE1 3.01Å; D531-E575 PolarHBondContact OD1-N 3.11Å; D531-E575 PolarHBondContact OD2-N 2.74Å; W573-E575 VanDerWaalsContact CD1-CD 3.44Å; W573-E575 PolarHBondContact NE1-OE1 2.98Å; W573-E575 PolarHBondContact NE1-OE2 3.09Å; W573-E575 VanDerWaalsContact NE1-OE2 3.07Å; E575-K578 WeakPolarHBondContact O-CD 3.25Å; E575-K578 WeakPolarHBondContact O-CE 3.45Å; E575-K578 PolarHBondContact O-NZ 2.74Å; E575-K578 IonicContact OE2-NZ 2.76Å; E575-K578 PolarHBondContact OE2-NZ 2.77Å
576	I	92.1	Very high	96.2	Very high	133 Å²	133	39.2 Å²	39.2	68%	0.682	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-49.9	-179.9	-65.1	169.4	0	0	0	110.8	D531 N574	D531-I576 PolarHBondContact OD2-N 2.97Å; N574-I576 PolarHBondContact OD1-N 3.46Å; N574-I576 VanDerWaalsContact OD1-N 3.15Å
577	E	94.6	Very high	96.2	Very high	95 Å²	95	36.3 Å²	36.3	44%	0.444	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.2	-177.8	-64.7	177	-174	0	0	113	N574 K579 K581	N574-E577 VanDerWaalsContact OD1-CB 3.31Å; N574-E577 WeakPolarHBondContact OD1-CB 3.16Å; N574-E577 WeakPolarHBondContact OD1-CG 3.33Å; N574-E577 PolarHBondContact OD1-N 2.87Å; E577-K579 VanDerWaalsContact C-N 3.26Å; E577-K579 HydrophobicContact CB-CB 4.19Å; E577-K579 WeakPolarHBondContact O-CG 3.45Å; E577-K579 PolarHBondContact O-N 3.19Å; E577-K581 VanDerWaalsContact CD-NZ 3.32Å; E577-K581 IonicContact OE1-NZ 3.93Å; E577-K581 PolarHBondContact OE1-NZ 2.92Å; E577-K581 VanDerWaalsContact OE1-NZ 3.11Å; E577-K581 IonicContact OE2-NZ 3.67Å; E577-K581 PolarHBondContact OE2-NZ 2.84Å
578	K	93.8	Very high	96.2	Very high	110 Å²	110	37.7 Å²	37.7	48%	0.478	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	44	-172	-57	-62.7	-178.5	-149.4	0	112.1	W573 N574 E575	W573-K578 HydrophobicContact CH2-CB 3.98Å; W573-K578 WeakPolarHBondContact CH2-O 3.03Å; W573-K578 HydrophobicContact CZ2-CB 3.94Å; W573-K578 HydrophobicContact CZ2-CD 3.81Å; W573-K578 VanDerWaalsContact CZ3-C 3.49Å; W573-K578 WeakPolarHBondContact CZ3-O 3.3Å; N574-K578 WeakPolarHBondContact O-CA 3.44Å; N574-K578 PolarHBondContact O-N 3.33Å; E575-K578 WeakPolarHBondContact O-CD 3.25Å; E575-K578 WeakPolarHBondContact O-CE 3.45Å; E575-K578 PolarHBondContact O-NZ 2.74Å; E575-K578 IonicContact OE2-NZ 2.76Å; E575-K578 PolarHBondContact OE2-NZ 2.77Å
579	K	94.9	Very high	96.1	Very high	135 Å²	135	37.8 Å²	37.8	59%	0.587	17%	0.173	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.7	-174.5	-77.9	179.9	-177.9	-180	0	112.6	N574 E577	N574-K579 PolarHBondContact N-O 3.03Å; N574-K579 PolarHBondContact O-N 3.43Å; E577-K579 VanDerWaalsContact C-N 3.26Å; E577-K579 HydrophobicContact CB-CB 4.19Å; E577-K579 WeakPolarHBondContact O-CG 3.45Å; E577-K579 PolarHBondContact O-N 3.19Å
580	Y	95	Very high	96	Very high	54 Å²	54	44.4 Å²	44.4	21%	0.212	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.1	174.9	-64	21.9	0	0	0	105.1	R324 A326 G572 W573 A603 V605	R324-Y580 PolarHBondContact NH1-OH 3.19Å; R324-Y580 PolarHBondContact NH2-OH 3.4Å; A326-Y580 HydrophobicContact CB-CD2 3.61Å; A326-Y580 HydrophobicContact CB-CE2 4.23Å; A326-Y580 HydrophobicContact CB-CG 3.95Å; G572-Y580 WeakPolarHBondContact O-CA 3.34Å; W573-Y580 AromaticContact CE3-CD1 3.32Å; W573-Y580 HydrophobicContact CE3-CD1 3.32Å; W573-Y580 AromaticContact CE3-CE1 3.42Å; W573-Y580 HydrophobicContact CE3-CE1 3.42Å; W573-Y580 VanDerWaalsContact CE3-CE1 3.42Å; W573-Y580 AromaticContact CZ3-CD1 3.43Å; W573-Y580 HydrophobicContact CZ3-CD1 3.43Å; W573-Y580 VanDerWaalsContact CZ3-CD1 3.43Å; W573-Y580 AromaticContact CZ3-CE1 3.33Å; W573-Y580 HydrophobicContact CZ3-CE1 3.33Å; Y580-A603 WeakPolarHBondContact O-CB 3.45Å; Y580-V605 HydrophobicContact CD1-CG1 3.81Å; Y580-V605 HydrophobicContact CD2-CB 4.4Å; Y580-V605 HydrophobicContact CD2-CG1 3.69Å; Y580-V605 HydrophobicContact CD2-CG2 4.04Å; Y580-V605 HydrophobicContact CE2-CB 4.47Å; Y580-V605 HydrophobicContact CE1-CG1 4.14Å; Y580-V605 HydrophobicContact CG-CG1 3.59Å; Y580-V605 HydrophobicContact CE2-CG1 4.05Å; Y580-V605 HydrophobicContact CE2-CG2 3.66Å
581	K	96	Very high	96	Very high	40 Å²	40	49.5 Å²	49.5	17%	0.174	24%	0.235	C	C	.	.			trans	-104.1	147.3	-178.7	-58.1	-63	-77.5	-172.1	0	110.5	T553 V555 G571 G572 N574 E577 T604	T553-K581 HydrophobicContact CG2-CG 4.5Å; V555-K581 HydrophobicContact CG1-CB 4.36Å; V555-K581 HydrophobicContact CG1-CG 4.15Å; G571-K581 WeakPolarHBondContact CA-O 3.33Å; G572-K581 PolarHBondContact O-N 3.42Å; N574-K581 HydrophobicContact CB-CD 3.93Å; N574-K581 HydrophobicContact CB-CG 3.79Å; E577-K581 VanDerWaalsContact CD-NZ 3.32Å; E577-K581 IonicContact OE1-NZ 3.93Å; E577-K581 PolarHBondContact OE1-NZ 2.92Å; E577-K581 VanDerWaalsContact OE1-NZ 3.11Å; E577-K581 IonicContact OE2-NZ 3.67Å; E577-K581 PolarHBondContact OE2-NZ 2.84Å; K581-T604 PolarHBondContact O-N 3.11Å
582	K	95.4	Very high	96.1	Very high	81 Å²	81	52.9 Å²	52.9	35%	0.352	25%	0.253	S	S	.	.			trans	-94.6	-15.4	168	-63.2	-176	172.6	-159.2	0	112.4	E599 L600 P601 A603	K582-E599 HydrophobicContact CB-CB 3.99Å; K582-E599 HydrophobicContact CB-CG 4.22Å; K582-E599 WeakPolarHBondContact CD-OE2 3.33Å; K582-L600 HydrophobicContact CB-CB 4.33Å; K582-L600 WeakPolarHBondContact CD-O 3.41Å; K582-L600 PolarHBondContact O-N 2.97Å; K582-P601 PolarHBondContact NZ-O 3.15Å; K582-P601 VanDerWaalsContact NZ-O 3.09Å; K582-A603 HydrophobicContact CG-CB 3.74Å
583	C	95.3	Very high	96.2	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.02	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	146.2	-167.9	62.3	0	0	0	0	112.5	G571 E596	G571-C583 PolarHBondContact N-O 2.71Å; C583-E596 WeakPolarHBondContact CB-OE1 3.25Å
584	I	96.2	Very high	96.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.1	166	-57.2	173.7	0	0	0	106.3	W345 Y568 L569 V570 E597 D598	W345-I584 HydrophobicContact CZ2-CD1 3.55Å; Y568-I584 HydrophobicContact CD1-CG2 3.85Å; L569-I584 CarbonylContact O-C 3.57Å; L569-I584 WeakPolarHBondContact O-CA 3.45Å; V570-I584 HydrophobicContact CG1-CG1 4.28Å; V570-I584 HydrophobicContact CG2-CG1 4.35Å; V570-I584 HydrophobicContact CG2-CG2 4.12Å; I584-E597 HydrophobicContact CB-CB 4.23Å; I584-E597 PolarHBondContact O-N 2.89Å; I584-E597 HydrophobicContact CG2-CB 4.19Å; I584-D598 WeakPolarHBondContact CB-O 3.47Å; I584-D598 WeakPolarHBondContact CD1-O 3.43Å; I584-D598 WeakPolarHBondContact CG1-O 3.24Å
585	Q	97.5	Very high	96.2	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.009	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	128.8	175.7	-64.8	178.1	88.8	0	0	108.5	T553 Y568 L569 W594	T553-Q585 PolarHBondContact O-NE2 3.03Å; T553-Q585 PolarHBondContact O-OE1 3.01Å; Y568-Q585 CarbonylContact C-O 3.52Å; Y568-Q585 WeakPolarHBondContact CA-O 3.44Å; L569-Q585 HydrophobicContact CB-CB 4.42Å; L569-Q585 PolarHBondContact N-O 3.21Å; L569-Q585 PolarHBondContact O-N 2.92Å; Q585-W594 HydrophobicContact CB-CE3 3.77Å; Q585-W594 HydrophobicContact CB-CZ3 4.01Å
586	C	97.8	Very high	96.2	Very high	4 Å²	4	62.9 Å²	62.9	3%	0.027	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.9	-177.4	179	0	0	0	0	110.3	K566 I567 Y568 W594 A595 E597	K566-C586 VanDerWaalsContact CD-SG 3.57Å; I567-C586 CarbonylContact O-C 3.57Å; I567-C586 VanDerWaalsContact O-CA 3.28Å; I567-C586 WeakPolarHBondContact O-CA 3.15Å; Y568-C586 HydrophobicContact CD1-CB 4.12Å; Y568-C586 HydrophobicContact CE1-CB 3.93Å; C586-W594 CarbonylContact O-C 3.54Å; C586-W594 WeakPolarHBondContact O-CA 3.32Å; C586-A595 PolarHBondContact N-O 3.07Å; C586-A595 PolarHBondContact O-N 2.99Å; C586-E597 HydrophobicContact CB-CG 3.49Å; C586-E597 VanDerWaalsContact CB-CG 3.49Å
587	Y	98.5	Very high	96	Very high	5 Å²	5	60.1 Å²	60.1	2%	0.02	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.8	175.9	177	-105.8	0	0	0	110.8	Y516 V548 A549 K566 I567 P589 N592 E593 W594	Y516-Y587 HydrophobicContact CD1-CE1 4.21Å; Y516-Y587 HydrophobicContact CE1-CD1 4.49Å; Y516-Y587 AromaticContact CE1-CE1 3.67Å; Y516-Y587 HydrophobicContact CE1-CE1 3.67Å; V548-Y587 HydrophobicContact CB-CE2 4.29Å; V548-Y587 WeakPolarHBondContact CB-OH 3.36Å; V548-Y587 HydrophobicContact CG2-CE2 4.26Å; A549-Y587 HydrophobicContact CB-CE2 4.35Å; K566-Y587 WeakPolarHBondContact CA-O 3.21Å; K566-Y587 WeakPolarHBondContact CB-O 3.06Å; I567-Y587 HydrophobicContact CD1-CD1 4Å; I567-Y587 HydrophobicContact CG1-CD1 4.44Å; I567-Y587 PolarHBondContact N-O 3.23Å; I567-Y587 VanDerWaalsContact N-O 3.16Å; I567-Y587 PolarHBondContact O-N 3.12Å; Y587-P589 HydrophobicContact CE1-CB 3.91Å; Y587-N592 PolarHBondContact OH-OD1 2.8Å; Y587-N592 VanDerWaalsContact OH-OD1 3.06Å; Y587-E593 WeakPolarHBondContact CA-O 3.37Å; Y587-E593 WeakPolarHBondContact CD2-O 3.34Å; Y587-W594 HydrophobicContact CD2-CG 4.17Å; Y587-W594 HydrophobicContact CG-CZ2 4.03Å; Y587-W594 HydrophobicContact CG-CH2 4.45Å; Y587-W594 AromaticContact CG-CE2 3.96Å; Y587-W594 HydrophobicContact CG-CD2 4.32Å; Y587-W594 AromaticContact CD2-NE1 3.53Å; Y587-W594 HydrophobicContact CD2-CZ2 4.16Å; Y587-W594 AromaticContact CD2-CE2 3.67Å; Y587-W594 HydrophobicContact CD2-CD2 4.06Å; Y587-W594 AromaticContact CD2-CD1 3.86Å
588	N	97.7	Very high	95.7	Very high	30 Å²	30	59 Å²	59	16%	0.16	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	111.8	170.6	-173.1	-11.4	0	0	0	109.8	D590 L591 N592 E593	N588-D590 VanDerWaalsContact C-N 3.28Å; N588-D590 PolarHBondContact O-N 2.79Å; N588-D590 PolarHBondContact OD1-N 2.84Å; N588-L591 PolarHBondContact O-N 2.87Å; N588-L591 WeakPolarHBondContact ND2-CD1 3.5Å; N588-L591 HydrophobicContact CB-CB 4.37Å; N588-N592 WeakPolarHBondContact O-CA 3.39Å; N588-N592 PolarHBondContact O-N 3.46Å; N588-E593 PolarHBondContact N-O 2.76Å; N588-E593 PolarHBondContact O-N 2.66Å
589	P	96.4	Very high	95.7	Very high	23 Å²	23	58.4 Å²	58.4	15%	0.149	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.2	179.6	29.2	-37.3	0	0	0	113.7	L511 L512 G565 Y587 N592	L511-P589 HydrophobicContact CD2-CG 4.1Å; L512-P589 HydrophobicContact CD1-CB 4.32Å; L512-P589 HydrophobicContact CD1-CG 4.1Å; G565-P589 WeakPolarHBondContact O-CD 3.26Å; G565-P589 WeakPolarHBondContact O-CG 3.27Å; Y587-P589 HydrophobicContact CE1-CB 3.91Å; P589-N592 PolarHBondContact O-N 3.27Å
590	D	96.8	Very high	95.7	Very high	141 Å²	141	52.3 Å²	52.3	75%	0.754	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-33.9	-177.3	-61.2	-32.1	0	0	0	111.8	N588	N588-D590 VanDerWaalsContact C-N 3.28Å; N588-D590 PolarHBondContact O-N 2.79Å; N588-D590 PolarHBondContact OD1-N 2.84Å
591	L	97.1	Very high	95.6	Very high	107 Å²	107	53.2 Å²	53.2	56%	0.56	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-16.4	176.8	-59.5	178.8	0	0	0	112.4	N588 E593	N588-L591 PolarHBondContact O-N 2.87Å; N588-L591 WeakPolarHBondContact ND2-CD1 3.5Å; N588-L591 HydrophobicContact CB-CB 4.37Å; L591-E593 VanDerWaalsContact C-N 3.34Å; L591-E593 HydrophobicContact CB-CB 4.23Å; L591-E593 HydrophobicContact CB-CG 4.34Å
592	N	97.8	Very high	95.4	Very high	72 Å²	72	52.5 Å²	52.5	39%	0.385	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	52.5	-168.7	-179.1	38.3	0	0	0	111.4	V548 A549 Y587 N588 P589	V548-N592 WeakPolarHBondContact CB-OD1 3.38Å; A549-N592 WeakPolarHBondContact CB-O 3.31Å; A549-N592 PolarHBondContact N-OD1 3.16Å; Y587-N592 PolarHBondContact OH-OD1 2.8Å; Y587-N592 VanDerWaalsContact OH-OD1 3.06Å; N588-N592 WeakPolarHBondContact O-CA 3.39Å; N588-N592 PolarHBondContact O-N 3.46Å; P589-N592 PolarHBondContact O-N 3.27Å
593	E	97.9	Very high	95.3	Very high	123 Å²	123	49.2 Å²	49.2	58%	0.575	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	148.1	-176.2	-74.3	177.6	178.9	0	0	111.3	Y587 N588 L591	Y587-E593 WeakPolarHBondContact CA-O 3.37Å; Y587-E593 WeakPolarHBondContact CD2-O 3.34Å; N588-E593 PolarHBondContact N-O 2.76Å; N588-E593 PolarHBondContact O-N 2.66Å; L591-E593 VanDerWaalsContact C-N 3.34Å; L591-E593 HydrophobicContact CB-CB 4.23Å; L591-E593 HydrophobicContact CB-CG 4.34Å
594	W	98.1	Very high	95.3	Very high	13 Å²	13	49.8 Å²	49.8	5%	0.049	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138	168.4	-70.1	90.6	0	0	0	109.8	M518 V535 A549 L551 Q552 I567 L569 Q585 C586 Y587	M518-W594 HydrophobicContact SD-CH2 3.72Å; M518-W594 HydrophobicContact SD-CZ2 4.36Å; V535-W594 HydrophobicContact CG1-CZ2 4.48Å; V535-W594 HydrophobicContact CG2-CZ2 3.96Å; A549-W594 VanDerWaalsContact O-CD1 3.3Å; A549-W594 PolarHBondContact O-NE1 3.42Å; L551-W594 HydrophobicContact CD2-CD2 3.84Å; L551-W594 HydrophobicContact CD2-CE3 3.92Å; L551-W594 HydrophobicContact CD2-CH2 3.68Å; L551-W594 HydrophobicContact CD2-CZ2 3.59Å; L551-W594 HydrophobicContact CD2-CZ3 3.83Å; Q552-W594 HydrophobicContact CG-CB 4.33Å; Q552-W594 PolarHBondContact NE2-O 3.03Å; I567-W594 HydrophobicContact CG2-CH2 4.34Å; L569-W594 HydrophobicContact CB-CZ3 4.31Å; Q585-W594 HydrophobicContact CB-CE3 3.77Å; Q585-W594 HydrophobicContact CB-CZ3 4.01Å; C586-W594 CarbonylContact O-C 3.54Å; C586-W594 WeakPolarHBondContact O-CA 3.32Å; Y587-W594 HydrophobicContact CD2-CG 4.17Å; Y587-W594 HydrophobicContact CG-CZ2 4.03Å; Y587-W594 HydrophobicContact CG-CH2 4.45Å; Y587-W594 AromaticContact CG-CE2 3.96Å; Y587-W594 HydrophobicContact CG-CD2 4.32Å; Y587-W594 AromaticContact CD2-NE1 3.53Å; Y587-W594 HydrophobicContact CD2-CZ2 4.16Å; Y587-W594 AromaticContact CD2-CE2 3.67Å; Y587-W594 HydrophobicContact CD2-CD2 4.06Å; Y587-W594 AromaticContact CD2-CD1 3.86Å
595	A	96.8	Very high	95.2	Very high	48 Å²	48	50.1 Å²	50.1	40%	0.397	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.6	169	0	0	0	0	0	109.7	C586	C586-A595 PolarHBondContact N-O 3.07Å; C586-A595 PolarHBondContact O-N 2.99Å
596	E	93.9	Very high	95	Very high	102 Å²	102	50.2 Å²	50.2	48%	0.477	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.3	165.4	-168.1	161.3	-155.6	0	0	108.9	C583	C583-E596 WeakPolarHBondContact CB-OE1 3.25Å
597	E	89.3	Confident	94.9	Very high	74 Å²	74	50.4 Å²	50.4	35%	0.346	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-158.6	-179.3	-76.5	-80.6	163.9	0	0	109.8	R339 I584 C586	R339-E597 IonicContact CZ-OE2 3.67Å; R339-E597 IonicContact NH1-OE2 2.66Å; R339-E597 IonicContact NH2-OE2 2.71Å; R339-E597 PolarHBondContact NH2-OE2 2.93Å; I584-E597 HydrophobicContact CB-CB 4.23Å; I584-E597 PolarHBondContact O-N 2.89Å; I584-E597 HydrophobicContact CG2-CB 4.19Å; C586-E597 HydrophobicContact CB-CG 3.49Å; C586-E597 VanDerWaalsContact CB-CG 3.49Å
598	D	88.1	Confident	94.8	Very high	72 Å²	72	50.9 Å²	50.9	39%	0.385	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	167.9	169.8	-162	7.7	0	0	0	112.7	I584	I584-D598 WeakPolarHBondContact CB-O 3.47Å; I584-D598 WeakPolarHBondContact CD1-O 3.43Å; I584-D598 WeakPolarHBondContact CG1-O 3.24Å
599	E	94.1	Very high	94.8	Very high	97 Å²	97	49.9 Å²	49.9	45%	0.453	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	155.1	-178.2	-73.3	-168.6	168.8	0	0	112.4	W345 K582	W345-E599 PolarHBondContact NE1-O 2.74Å; K582-E599 HydrophobicContact CB-CB 3.99Å; K582-E599 HydrophobicContact CB-CG 4.22Å; K582-E599 WeakPolarHBondContact CD-OE2 3.33Å
600	L	94.4	Very high	94.9	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.037	26%	0.264	C	S	.	.			trans	-62.9	146	163.7	-71	171.7	0	0	0	110.7	T320 W345 V570 K582 E602	T320-L600 HydrophobicContact CG2-CD2 3.95Å; W345-L600 HydrophobicContact CH2-CD2 4.23Å; W345-L600 HydrophobicContact CZ2-CD2 3.78Å; V570-L600 HydrophobicContact CG1-CD1 3.74Å; V570-L600 HydrophobicContact CG1-CD2 3.57Å; V570-L600 HydrophobicContact CG1-CG 3.76Å; K582-L600 HydrophobicContact CB-CB 4.33Å; K582-L600 WeakPolarHBondContact CD-O 3.41Å; K582-L600 PolarHBondContact O-N 2.97Å; L600-E602 WeakPolarHBondContact CB-O 3.34Å; L600-E602 PolarHBondContact O-N 2.75Å; L600-E602 VanDerWaalsContact O-N 3.16Å
601	P	92.9	Very high	94.9	Very high	73 Å²	73	43.1 Å²	43.1	47%	0.474	23%	0.233	S	C	.	.	S	Bend	trans	-54.9	-39.2	174.3	-26.7	36.6	0	0	0	112.1	L337 W345 K582	L337-P601 HydrophobicContact CD1-CG 4.16Å; W345-P601 HydrophobicContact CB-CG 3.54Å; W345-P601 HydrophobicContact CG-CG 3.89Å; K582-P601 PolarHBondContact NZ-O 3.15Å; K582-P601 VanDerWaalsContact NZ-O 3.09Å
602	E	91.4	Very high	94.8	Very high	26 Å²	26	38.2 Å²	38.2	12%	0.121	21%	0.207	C	C	.	.	S	Bend	trans	-134.6	141.3	-179.4	-162.7	172.1	162.3	0	0	111.5	P325 L327 K330 L600 T604	P325-E602 HydrophobicContact CB-CG 3.95Å; P325-E602 WeakPolarHBondContact CB-OE1 3.48Å; L327-E602 VanDerWaalsContact CB-OE1 3.23Å; L327-E602 WeakPolarHBondContact CB-OE1 3.35Å; L327-E602 HydrophobicContact CD1-CG 4.42Å; L327-E602 WeakPolarHBondContact CD1-OE1 3.5Å; L327-E602 WeakPolarHBondContact CG-OE1 3.46Å; L327-E602 PolarHBondContact N-OE1 3.46Å; K330-E602 WeakPolarHBondContact CD-OE2 3.44Å; K330-E602 IonicContact NZ-OE2 3.66Å; K330-E602 PolarHBondContact NZ-OE2 3.25Å; L600-E602 WeakPolarHBondContact CB-O 3.34Å; L600-E602 PolarHBondContact O-N 2.75Å; L600-E602 VanDerWaalsContact O-N 3.16Å; E602-T604 PolarHBondContact O-OG1 3.32Å; E602-T604 PolarHBondContact O-N 3.19Å
603	A	94.3	Very high	94.5	Very high	12 Å²	12	37 Å²	37	10%	0.099	20%	0.204	C	C	.	.			trans	-66.4	121.9	178.4	0	0	0	0	0	109.3	P325 A326 Y580 K582	P325-A603 CarbonylContact C-O 3.55Å; P325-A603 WeakPolarHBondContact CA-O 3.48Å; A326-A603 HydrophobicContact CB-CB 4.07Å; A326-A603 PolarHBondContact N-O 2.76Å; Y580-A603 WeakPolarHBondContact O-CB 3.45Å; K582-A603 HydrophobicContact CG-CB 3.74Å
604	T	94	Very high	94.1	Very high	15 Å²	15	31.8 Å²	31.8	9%	0.092	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	137.6	-165.7	-55.2	0	0	0	0	111.3	G572 K581 E602 V607	G572-T604 PolarHBondContact N-O 3.21Å; K581-T604 PolarHBondContact O-N 3.11Å; E602-T604 PolarHBondContact O-OG1 3.32Å; E602-T604 PolarHBondContact O-N 3.19Å; T604-V607 HydrophobicContact CG2-CB 3.9Å
605	V	94.1	Very high	93.6	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	154.4	173.8	-61.3	0	0	0	0	111.3	R324 W573 Y580 V607	R324-V605 HydrophobicContact CB-CG2 3.99Å; R324-V605 PolarHBondContact N-O 2.96Å; R324-V605 PolarHBondContact O-N 3.48Å; W573-V605 HydrophobicContact CB-CG1 3.95Å; Y580-V605 HydrophobicContact CD1-CG1 3.81Å; Y580-V605 HydrophobicContact CD2-CB 4.4Å; Y580-V605 HydrophobicContact CD2-CG1 3.69Å; Y580-V605 HydrophobicContact CD2-CG2 4.04Å; Y580-V605 HydrophobicContact CE2-CB 4.47Å; Y580-V605 HydrophobicContact CE1-CG1 4.14Å; Y580-V605 HydrophobicContact CG-CG1 3.59Å; Y580-V605 HydrophobicContact CE2-CG1 4.05Å; Y580-V605 HydrophobicContact CE2-CG2 3.66Å; V605-V607 PolarHBondContact O-N 3.19Å
606	G	94.3	Very high	92.6	Very high	4 Å²	4	32.1 Å²	32.1	4%	0.041	18%	0.178	C	C	.	.	S	Bend	trans	61.5	24.3	-178.4	0	0	0	0	0	112.7	N357 T557	N357-G606 PolarHBondContact N-O 2.83Å; N357-G606 WeakPolarHBondContact OD1-CA 3.42Å; T557-G606 WeakPolarHBondContact O-CA 3.47Å; T557-G606 PolarHBondContact O-N 3.21Å
607	V	95.3	Very high	91.2	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.042	18%	0.176	C	C	.	.			trans	-76.4	136.1	174.2	62.4	0	0	0	0	108.6	T320 G559 T604 V605	T320-V607 HydrophobicContact CG2-CG2 4Å; G559-V607 VanDerWaalsContact CA-O 3.29Å; G559-V607 WeakPolarHBondContact CA-O 3.29Å; G559-V607 PolarHBondContact N-O 2.84Å; T604-V607 HydrophobicContact CG2-CB 3.9Å; V605-V607 PolarHBondContact O-N 3.19Å
608	S	97.1	Very high	89.6	Confident	15 Å²	15	32 Å²	32	11%	0.105	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	146.5	173.3	-118.3	0	0	0	0	109.5	T320 V321 Q358	T320-S608 CarbonylContact C-O 3.49Å; T320-S608 WeakPolarHBondContact CA-O 3.03Å; V321-S608 PolarHBondContact N-O 3.18Å; V321-S608 PolarHBondContact O-N 3.21Å; V321-S608 VanDerWaalsContact O-N 3.16Å; Q358-S608 PolarHBondContact O-OG 3.03Å
609	C	97.1	Very high	87.7	Confident	10 Å²	10	30.4 Å²	30.4	7%	0.068	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	142	-178.8	-170.9	0	0	0	0	111.1	L318 V319 V360	L318-C609 WeakPolarHBondContact CD1-SG 3.41Å; V319-C609 VanDerWaalsContact O-CA 3.28Å; V319-C609 WeakPolarHBondContact O-CA 3.43Å; V319-C609 PolarHBondContact O-SG 3.38Å; V319-C609 VanDerWaalsContact O-SG 3.32Å; V360-C609 WeakPolarHBondContact CG2-O 3.21Å
610	C	97.6	Very high	85.3	Confident	7 Å²	7	34.3 Å²	34.3	5%	0.047	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	172.6	175.7	61.4	0	0	0	0	110.9	V319 V360 V362 L367 S561	V319-C610 PolarHBondContact N-O 3.35Å; V319-C610 PolarHBondContact O-N 3.22Å; V360-C610 HydrophobicContact CG2-CB 3.9Å; V362-C610 HydrophobicContact CG2-CB 4.07Å; L367-C610 VanDerWaalsContact CD1-SG 3.56Å; S561-C610 WeakPolarHBondContact OG-CA 3.37Å
611	T	97.1	Very high	82.4	Confident	15 Å²	15	40.3 Å²	40.3	9%	0.092	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.8	173.9	-64.3	0	0	0	0	109.9	R316 V317 V362 S561 T562 L563	R316-T611 HydrophobicContact CB-CG2 4.25Å; V317-T611 VanDerWaalsContact O-CA 3.32Å; V317-T611 WeakPolarHBondContact O-CA 3.47Å; V362-T611 WeakPolarHBondContact CG2-O 3.44Å; S561-T611 PolarHBondContact OG-N 2.85Å; S561-T611 PolarHBondContact OG-OG1 3.26Å; T562-T611 WeakPolarHBondContact O-CB 3.12Å; T562-T611 PolarHBondContact O-OG1 3.21Å; L563-T611 HydrophobicContact CB-CG2 4.34Å; L563-T611 HydrophobicContact CD1-CG2 3.63Å
612	I	95.1	Very high	79.6	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.015	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	154.5	-178.6	-166.9	159.9	0	0	0	110.6	R316 V317 V319 V362 L367 P394 M614	R316-I612 WeakPolarHBondContact CA-O 3.34Å; V317-I612 HydrophobicContact CG2-CG2 4.25Å; V317-I612 PolarHBondContact N-O 2.64Å; V317-I612 PolarHBondContact O-N 2.78Å; V319-I612 HydrophobicContact CB-CG2 4.49Å; V319-I612 HydrophobicContact CG2-CG2 3.54Å; V362-I612 HydrophobicContact CG1-CG1 4.3Å; V362-I612 HydrophobicContact CG2-CB 4.16Å; V362-I612 HydrophobicContact CG2-CD1 4.41Å; V362-I612 HydrophobicContact CG2-CG1 4.44Å; L367-I612 HydrophobicContact CB-CD1 3.76Å; P394-I612 HydrophobicContact CB-CD1 4.25Å; P394-I612 HydrophobicContact CG-CD1 3.77Å; P394-I612 HydrophobicContact CG-CG1 4.16Å; I612-M614 HydrophobicContact CG2-CG 4.24Å; I612-M614 HydrophobicContact CG2-SD 3.94Å
613	S	92.6	Very high	77.1	Confident	46 Å²	46	45.3 Å²	45.3	32%	0.322	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.2	172.8	-53.8	0	0	0	0	109.4	I311	I311-S613 WeakPolarHBondContact CD1-O 3.49Å
614	M	89.4	Confident	74.1	Confident	15 Å²	15	48.8 Å²	48.8	7%	0.074	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	148	-178.8	-66.6	-59.9	-50.1	0	0	110.7	G314 F315 V317 L348 P394 I612	G314-M614 CarbonylContact C-O 3.52Å; G314-M614 WeakPolarHBondContact CA-O 3.33Å; F315-M614 HydrophobicContact CE1-CB 4.18Å; F315-M614 HydrophobicContact CZ-CB 4.32Å; F315-M614 PolarHBondContact N-O 2.96Å; F315-M614 VanDerWaalsContact N-O 3.09Å; F315-M614 PolarHBondContact O-N 3.06Å; V317-M614 HydrophobicContact CG2-CB 4.44Å; V317-M614 HydrophobicContact CG2-CG 3.51Å; L348-M614 HydrophobicContact CD1-CE 3.29Å; L348-M614 HydrophobicContact CD1-SD 4.07Å; L348-M614 HydrophobicContact CD2-CE 4.2Å; L348-M614 HydrophobicContact CD2-SD 3.87Å; L348-M614 HydrophobicContact CG-CE 4.37Å; P394-M614 HydrophobicContact CB-CE 3.7Å; P394-M614 HydrophobicContact CB-SD 3.36Å; P394-M614 WeakPolarHBondContact CB-SD 3.49Å; P394-M614 HydrophobicContact CG-SD 4.47Å; I612-M614 HydrophobicContact CG2-CG 4.24Å; I612-M614 HydrophobicContact CG2-SD 3.94Å
615	P	86.5	Confident	71.1	Confident	36 Å²	36	53.1 Å²	53.1	23%	0.234	29%	0.289	C	S	.	.			trans	-60.1	141.6	168.7	-19.5	33.1	0	0	0	111.1	I311 F315 N617	I311-P615 HydrophobicContact CD1-CG 4.03Å; I311-P615 HydrophobicContact CG1-CG 4.42Å; I311-P615 HydrophobicContact CG2-CB 4.4Å; I311-P615 HydrophobicContact CG2-CG 4.43Å; F315-P615 WeakPolarHBondContact CE1-O 3.36Å; P615-N617 PolarHBondContact O-N 3.23Å
616	N	77.1	Confident	68.1	Low	32 Å²	32	56.7 Å²	56.7	17%	0.171	32%	0.315	C	S	.	.			trans	-76	104.6	177.4	-168.7	-2.8	0	0	0	111	Q226 F315 K618 T619	Q226-N616 PolarHBondContact OE1-ND2 2.89Å; F315-N616 HydrophobicContact CD1-CB 4.27Å; N616-K618 WeakPolarHBondContact OD1-CB 3.47Å; N616-K618 WeakPolarHBondContact OD1-CG 3.25Å; N616-K618 PolarHBondContact OD1-N 3.42Å; N616-K618 VanDerWaalsContact OD1-N 3.12Å; N616-T619 PolarHBondContact O-OG1 2.85Å
617	N	63.1	Low	65	Low	81 Å²	81	61 Å²	61	43%	0.433	34%	0.34	S	S	.	.			trans	-82.8	-7.4	178.6	-75.8	-15.5	0	0	0	113.6	P615 T619 R620 E621	P615-N617 PolarHBondContact O-N 3.23Å; N617-T619 VanDerWaalsContact C-N 3.26Å; N617-T619 PolarHBondContact O-N 2.82Å; N617-R620 WeakPolarHBondContact O-CA 3.43Å; N617-R620 VanDerWaalsContact O-CB 3.25Å; N617-R620 WeakPolarHBondContact O-CB 3.32Å; N617-R620 PolarHBondContact O-N 2.87Å; N617-E621 PolarHBondContact O-N 2.91Å
618	K	56.6	Low	61.8	Low	93 Å²	93	65.3 Å²	65.3	40%	0.404	37%	0.37	S	S	.	.	H	α-helix	trans	-63.4	-31.1	-177	-66.4	-173.7	-177.4	-178.3	0	113.2	E342 N616 R620	E342-K618 IonicContact OE1-NZ 2.69Å; E342-K618 PolarHBondContact OE1-NZ 2.99Å; E342-K618 WeakPolarHBondContact OE2-CE 3.31Å; E342-K618 IonicContact OE2-NZ 2.78Å; E342-K618 PolarHBondContact OE2-NZ 2.72Å; N616-K618 WeakPolarHBondContact OD1-CB 3.47Å; N616-K618 WeakPolarHBondContact OD1-CG 3.25Å; N616-K618 PolarHBondContact OD1-N 3.42Å; N616-K618 VanDerWaalsContact OD1-N 3.12Å; K618-R620 PolarHBondContact O-N 3.09Å
619	T	48.6	Very low	58.7	Low	37 Å²	37	70.3 Å²	70.3	23%	0.227	41%	0.405	C	S	.	.	H	α-helix	trans	-73.9	-15.9	174	47.7	0	0	0	0	113	P228 N616 N617	P228-T619 WeakPolarHBondContact CA-OG1 3.47Å; N616-T619 PolarHBondContact O-OG1 2.85Å; N617-T619 VanDerWaalsContact C-N 3.26Å; N617-T619 PolarHBondContact O-N 2.82Å
620	R	42.1	Very low	55.4	Low	179 Å²	179	75 Å²	75	68%	0.675	43%	0.434	S	S	*	.	H	α-helix	trans	-88	-36.9	179.9	-152.1	175.5	171.8	-174.9	-2.7	111.9	N617 K618 A624	N617-R620 WeakPolarHBondContact O-CA 3.43Å; N617-R620 VanDerWaalsContact O-CB 3.25Å; N617-R620 WeakPolarHBondContact O-CB 3.32Å; N617-R620 PolarHBondContact O-N 2.87Å; K618-R620 PolarHBondContact O-N 3.09Å; R620-A624 PolarHBondContact O-N 3.38Å
621	E	35.1	Very low	52.2	Low	133 Å²	133	79.9 Å²	79.9	62%	0.621	47%	0.465	S	S	*	.	H	α-helix	trans	-78	-31.4	-179.9	-72.6	-179.3	171.4	0	0	113.5	N617 R623 A624	N617-E621 PolarHBondContact O-N 2.91Å; E621-R623 PolarHBondContact O-N 3.26Å; E621-R623 VanDerWaalsContact O-N 3.14Å; E621-A624 PolarHBondContact O-N 2.93Å
622	S	33.9	Very low	48.9	Very low	76 Å²	76	85.9 Å²	85.9	53%	0.531	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-18.8	176.6	73.1	0	0	0	0	113.7	S625 S626	S622-S625 PolarHBondContact O-OG 2.93Å; S622-S626 PolarHBondContact O-OG 3.08Å; S622-S626 VanDerWaalsContact O-OG 3.13Å
623	R	39	Very low	45.7	Very low	129 Å²	129	90.7 Å²	90.7	49%	0.487	54%	0.535	S	S	.	.	H	α-helix	trans	-102.4	-17.4	175.8	-76.1	-173	175.9	-175.9	-0.8	114.9	E621 S625 S626 V627	E621-R623 PolarHBondContact O-N 3.26Å; E621-R623 VanDerWaalsContact O-N 3.14Å; R623-S625 PolarHBondContact O-N 3.13Å; R623-S626 WeakPolarHBondContact CA-OG 3.23Å; R623-S626 PolarHBondContact O-N 3.11Å; R623-V627 HydrophobicContact CB-CG2 4.22Å; R623-V627 PolarHBondContact O-N 2.69Å
624	A	29.8	Very low	42.9	Very low	84 Å²	84	100 Å²	100	69%	0.694	58%	0.579	S	S	*	*	H	α-helix	trans	-66	-23	173.6	0	0	0	0	0	112.1	R620 E621	R620-A624 PolarHBondContact O-N 3.38Å; E621-A624 PolarHBondContact O-N 2.93Å
625	S	30.8	Very low	40.6	Very low	107 Å²	107	104.3 Å²	104.3	75%	0.748	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-4.9	172.1	51.9	0	0	0	0	114.4	S622 R623	S622-S625 PolarHBondContact O-OG 2.93Å; R623-S625 PolarHBondContact O-N 3.13Å
626	S	31.4	Very low	38.1	Very low	82 Å²	82	107.9 Å²	107.9	57%	0.573	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.2	3	-172.5	48.1	0	0	0	0	116	S622 R623	S622-S626 PolarHBondContact O-OG 3.08Å; S622-S626 VanDerWaalsContact O-OG 3.13Å; R623-S626 WeakPolarHBondContact CA-OG 3.23Å; R623-S626 PolarHBondContact O-N 3.11Å
627	V	30.3	Very low	36	Very low	95 Å²	95	112.1 Å²	112.1	58%	0.576	65%	0.649	S	S	*	*			trans	-126	91.7	174.8	-168.5	0	0	0	0	110.2	R623 S629	R623-V627 HydrophobicContact CB-CG2 4.22Å; R623-V627 PolarHBondContact O-N 2.69Å; V627-S629 PolarHBondContact O-N 2.77Å
628	S	27.6	Very low	34.4	Very low	97 Å²	97	113.9 Å²	113.9	68%	0.678	66%	0.661	S	S	*	*			trans	-56.5	131	147.9	48.9	0	0	0	0	107.4	V630	S628-V630 PolarHBondContact O-N 3.25Å
629	S	32.9	Very low	33	Very low	120 Å²	120	115.3 Å²	115.3	84%	0.839	68%	0.678	S	S	*	*			trans	-49.3	101.1	173.5	49.5	0	0	0	0	110.8	V627	V627-S629 PolarHBondContact O-N 2.77Å
630	V	26.7	Very low	31.9	Very low	109 Å²	109	120.5 Å²	120.5	66%	0.661	71%	0.708	S	S	*	*			trans	-105.1	119.8	161.6	-177.6	0	0	0	0	106.5	S628 V632	S628-V630 PolarHBondContact O-N 3.25Å; V630-V632 PolarHBondContact O-N 3.27Å
631	P	30.1	Very low	31.2	Very low	108 Å²	108	116.3 Å²	116.3	70%	0.701	71%	0.71	S	S	*	*			trans	-70.3	113	172.2	28.4	-28.6	0	0	0	107.8	S633	P631-S633 PolarHBondContact O-N 3.49Å
632	V	28.8	Very low	30.9	Very low	142 Å²	142	115 Å²	115	86%	0.861	72%	0.717	S	S	*	*			trans	-69.1	112.9	165.1	-179.2	0	0	0	0	106.2	V630	V630-V632 PolarHBondContact O-N 3.27Å
633	S	27.1	Very low	30.7	Very low	103 Å²	103	118.3 Å²	118.3	72%	0.72	73%	0.732	S	S	*	*			trans	-72.8	140.9	176.5	-48.7	0	0	0	0	108.8	P631	P631-S633 PolarHBondContact O-N 3.49Å
634	I	33.7	Very low	29.9	Very low	243 Å²	243	117.3 Å²	117.3	100%	1.246	75%	0.754	S	S	*	*			trans	-53	0	178.2	-62.9	167.8	0	0	0	111.8

Retrieved 634 of 634 residues in 191.1 ms (Link to these results)

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