A0A096MKE0_RAT Loading...

Aspartyl/asparaginyl beta-hydroxylase

Specifically hydroxylates an Asp or Asn residue in certain epidermal growth factor-like (EGF) domains of a number of proteins.

AlphaFold DB , UniProt , Accession A0A096MKE0, Species RAT (Rattus norvegicus, Rat), Gene Asph, Length 737 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	34.2	Very low	248 Å²	248	140.4 Å²	140.4	100%	1.222	84%	0.841	S	S	*	*				0	148.1	0	-69.7	174.9	172.6	0	0	108.7
2	A	39.8	Very low	33.8	Very low	86 Å²	86	134.4 Å²	134.4	71%	0.711	83%	0.83	S	S	*	*			trans	-86.7	158.5	163.8	0	0	0	0	0	109.5
3	P	54.6	Low	33.3	Very low	122 Å²	122	137.2 Å²	137.2	79%	0.792	84%	0.836	S	S	*	*				-130.3	157.7	75.2	33.3	-18.6	0	0	0	113.4
4	R	35.2	Very low	33.1	Very low	222 Å²	222	134.4 Å²	134.4	84%	0.838	83%	0.825	S	S	*	*			cis	79.7	109.5	40.1	-101.5	-174.7	175	-177	0.5	116
5	K	36.8	Very low	32.8	Very low	172 Å²	172	132.9 Å²	132.9	75%	0.748	82%	0.822	S	S	*	*			trans	112.4	143.3	135.9	-77.1	-172.4	170.5	-173	0	120.1
6	N	31.4	Very low	32.9	Very low	153 Å²	153	132.4 Å²	132.4	82%	0.818	83%	0.826	S	S	*	*			trans	72.2	144	164.4	-55.8	-13.6	0	0	0	116.5
7	A	30.6	Very low	32.9	Very low	83 Å²	83	131.8 Å²	131.8	69%	0.686	83%	0.827	S	S	*	*			cis	142.3	148	-19.5	0	0	0	0	0	109.7
8	K	31.7	Very low	32.9	Very low	216 Å²	216	128.7 Å²	128.7	94%	0.939	83%	0.825	S	S	*	*			trans	74.4	146.7	-165	-52	176.5	177.9	-178.4	0	113.4
9	G	26.9	Very low	32.9	Very low	76 Å²	76	128.8 Å²	128.8	78%	0.784	83%	0.83	S	S	*	*			cis	143.6	124.8	-9.3	0	0	0	0	0	113.2
10	G	27.1	Very low	32.8	Very low	79 Å²	79	125.8 Å²	125.8	81%	0.814	82%	0.823	S	S	*	*			trans	83.6	144.3	-170	0	0	0	0	0	111.9
11	G	26.2	Very low	32.8	Very low	87 Å²	87	126 Å²	126	90%	0.897	83%	0.828	S	S	*	*			cis	81.1	121	5.7	0	0	0	0	0	112.6
12	G	28.6	Very low	32.7	Very low	69 Å²	69	117.3 Å²	117.3	71%	0.711	80%	0.801	S	S	*	*			cis	-176.6	178.8	-3.6	0	0	0	0	0	111.4
13	N	27.7	Very low	32.4	Very low	170 Å²	170	119.6 Å²	119.6	91%	0.909	81%	0.812	S	S	*	*			trans	-166.5	156.9	171.2	-98.1	-25.6	0	0	0	107.3
14	S	29.9	Very low	31.1	Very low	98 Å²	98	116.9 Å²	116.9	69%	0.685	81%	0.807	S	S	*	*			cis	-143.1	125.8	9	50	0	0	0	0	112.5
15	S	29.2	Very low	31	Very low	112 Å²	112	112 Å²	112	78%	0.783	81%	0.806	S	S	*	*			trans	24	124.4	133.9	59.9	0	0	0	0	121.2
16	S	34.3	Very low	31.7	Very low	125 Å²	125	108.9 Å²	108.9	87%	0.874	80%	0.803	S	S	*	*			trans	-92.6	171.3	166.3	53.7	0	0	0	0	113.4
17	S	32.4	Very low	31.6	Very low	122 Å²	122	106.3 Å²	106.3	85%	0.853	80%	0.797	S	S	*	*			trans	-138.9	151.9	169.1	55.4	0	0	0	0	110.5
18	G	33.1	Very low	31.5	Very low	76 Å²	76	108.8 Å²	108.8	78%	0.784	81%	0.805	S	S	*	*			cis	150.4	95	-14.5	0	0	0	0	0	115.3
19	S	33.2	Very low	31.3	Very low	132 Å²	132	102.4 Å²	102.4	92%	0.923	80%	0.8	S	S	*	*			trans	-170.8	146	160.3	42.9	0	0	0	0	110.5
20	G	30.3	Very low	31.3	Very low	67 Å²	67	103.9 Å²	103.9	69%	0.691	80%	0.798	S	S	*	*			cis	-168.6	175.9	-4.7	0	0	0	0	0	114.2
21	S	34.6	Very low	31.3	Very low	132 Å²	132	105.5 Å²	105.5	92%	0.923	80%	0.797	S	S	*	*			trans	21.6	133.4	157.7	55.1	0	0	0	0	121.9
22	G	32.5	Very low	31.3	Very low	64 Å²	64	105.4 Å²	105.4	66%	0.66	80%	0.796	S	S	*	*			cis	162.2	171.3	-2.7	0	0	0	0	0	115.3
23	S	33.2	Very low	31.4	Very low	134 Å²	134	107.3 Å²	107.3	94%	0.937	80%	0.798	S	S	*	*			trans	58.8	135.4	175	64.9	0	0	0	0	119.1
24	G	28.3	Very low	31.4	Very low	66 Å²	66	103.7 Å²	103.7	68%	0.68	79%	0.787	S	S	*	*			cis	176.1	135.5	-12.7	0	0	0	0	0	115.2
25	S	33.8	Very low	31.5	Very low	119 Å²	119	103.9 Å²	103.9	83%	0.832	79%	0.788	S	S	*	*			trans	42.3	153.1	135.8	-62.2	0	0	0	0	123.4
26	P	51	Low	31.7	Very low	106 Å²	106	103.8 Å²	103.8	69%	0.688	79%	0.787	S	S	*	*			cis	-144.8	-178.1	-27.4	39.7	-21.5	0	0	0	115.7
27	S	30	Very low	32.3	Very low	99 Å²	99	104 Å²	104	69%	0.692	79%	0.786	S	S	*	*			trans	72.5	151.4	144.9	73.9	0	0	0	0	120.8
28	T	28.5	Very low	32.1	Very low	136 Å²	136	101.8 Å²	101.8	83%	0.834	78%	0.781	S	S	*	*			cis	-164.9	142.8	-25.7	26	0	0	0	0	110.1
29	G	26.6	Very low	32.1	Very low	81 Å²	81	102.8 Å²	102.8	84%	0.835	78%	0.782	S	S	*	*			trans	74.5	170.2	164.7	0	0	0	0	0	115.7
30	S	26.8	Very low	32	Very low	107 Å²	107	107.7 Å²	107.7	75%	0.748	78%	0.781	S	S	*	*			cis	-160.7	153	-12.4	177.9	0	0	0	0	109.1
31	S	27.5	Very low	32	Very low	113 Å²	113	116.3 Å²	116.3	79%	0.79	79%	0.792	S	S	*	*			trans	38.8	119.3	152.1	57.6	0	0	0	0	120.2
32	G	26.8	Very low	32	Very low	85 Å²	85	119.1 Å²	119.1	88%	0.876	79%	0.791	S	S	*	*			trans	-175.2	122.8	165.9	0	0	0	0	0	115.3
33	S	29.1	Very low	31.9	Very low	109 Å²	109	120.4 Å²	120.4	76%	0.762	80%	0.796	S	S	*	*			trans	-91.2	148.9	-179.7	54.3	0	0	0	0	114
34	S	29.4	Very low	31.7	Very low	95 Å²	95	123.1 Å²	123.1	66%	0.664	79%	0.79	S	S	*	*			trans	65	114.8	135.8	66.1	0	0	0	0	122.6
35	S	31.1	Very low	31.7	Very low	102 Å²	102	129 Å²	129	71%	0.713	80%	0.8	S	S	*	*				90.9	151.7	117.6	80	0	0	0	0	122.6
36	S	32.5	Very low	31.4	Very low	109 Å²	109	127.3 Å²	127.3	76%	0.762	80%	0.801	S	S	*	*			trans	74.6	165.4	155.7	-50.7	0	0	0	0	117
37	P	47.2	Very low	30.3	Very low	131 Å²	131	125.7 Å²	125.7	85%	0.851	80%	0.803	S	S	*	*			cis	-126.8	-172.4	-5.3	39.3	-22.6	0	0	0	114.1
38	G	28.7	Very low	30.3	Very low	74 Å²	74	130.5 Å²	130.5	76%	0.763	81%	0.814	S	S	*	*			trans	-158.9	158.6	159.7	0	0	0	0	0	111.5
39	A	33.9	Very low	30.7	Very low	97 Å²	97	133.2 Å²	133.2	80%	0.802	82%	0.815	S	S	*	*			trans	-177.4	134.4	162	0	0	0	0	0	115.1
40	R	30.3	Very low	30.9	Very low	236 Å²	236	137.6 Å²	137.6	89%	0.891	82%	0.819	S	S	*	*			trans	29.3	126.3	141.3	-66.2	174.3	159	174.5	-6.3	121.2
41	R	31.3	Very low	31.1	Very low	247 Å²	247	135.6 Å²	135.6	93%	0.932	82%	0.815	S	S	*	*				-177.8	157.6	100.6	-101.6	175.8	175.3	162.7	-0.5	113.4
42	E	33.3	Very low	31.5	Very low	191 Å²	191	141.1 Å²	141.1	89%	0.893	82%	0.818	S	S	*	*			trans	-92	156.3	170.7	-52.4	172.6	114.6	0	0	111.7
43	A	29.9	Very low	31.8	Very low	92 Å²	92	147.8 Å²	147.8	76%	0.76	82%	0.817	S	S	*	*				173.8	132.2	122.1	0	0	0	0	0	115.7
44	K	30.2	Very low	31.8	Very low	190 Å²	190	146.6 Å²	146.6	83%	0.826	82%	0.822	S	S	*	*			trans	56.6	113.2	139.5	-69.3	-176.8	174.9	178.7	0	123.5
45	H	28.2	Very low	31.9	Very low	191 Å²	191	145.5 Å²	145.5	88%	0.884	83%	0.825	S	S	*	*				60.9	128.2	124.9	-75.7	-40.1	0	0	0	123.7
46	G	26.5	Very low	32.4	Very low	83 Å²	83	149.1 Å²	149.1	86%	0.856	84%	0.835	S	S	*	*			trans	132.4	116.3	150.4	0	0	0	0	0	113.5
47	G	27.9	Very low	32.6	Very low	71 Å²	71	149.9 Å²	149.9	73%	0.732	84%	0.84	S	S	*	*			cis	130.5	94.6	-10.7	0	0	0	0	0	114
48	H	30.6	Very low	32.6	Very low	200 Å²	200	147.5 Å²	147.5	93%	0.926	84%	0.839	S	S	*	*			trans	-138.6	163.9	171.6	-103.6	34.3	0	0	0	112.3
49	K	36.7	Very low	33.5	Very low	193 Å²	193	147.1 Å²	147.1	84%	0.839	84%	0.836	S	S	*	*			trans	-134.3	151.7	-162.7	-61.7	171.8	178.5	171.9	0	112.4
50	N	31.6	Very low	34.6	Very low	174 Å²	174	146.5 Å²	146.5	93%	0.93	83%	0.825	S	S	*	*			trans	-173.8	133.8	140.4	-90.1	-27.3	0	0	0	109.1
51	G	31.3	Very low	35.6	Very low	64 Å²	64	144 Å²	144	66%	0.66	82%	0.821	S	S	*	*			cis	165.2	140.2	-18	0	0	0	0	0	114.4
52	R	34.5	Very low	36.4	Very low	229 Å²	229	140.9 Å²	140.9	86%	0.864	82%	0.815	S	S	*	*			trans	65.8	147.1	161.3	-75.3	-178.3	177	-174	0.6	118.4
53	R	33.9	Very low	37.6	Very low	226 Å²	226	136 Å²	136	85%	0.853	80%	0.798	S	S	*	*			cis	-169.4	142.3	-19.1	-138.4	-178.1	-172.4	-174.2	0.2	111.2
54	G	28.2	Very low	38.7	Very low	83 Å²	83	140 Å²	140	86%	0.856	79%	0.794	S	S	*	*			trans	88.3	151.7	163	0	0	0	0	0	116.4
55	G	31.7	Very low	40.3	Very low	72 Å²	72	138 Å²	138	74%	0.742	79%	0.786	S	S	*	*			cis	177.1	136.8	-10.2	0	0	0	0	0	115.2
56	I	43.1	Very low	42	Very low	179 Å²	179	134.4 Å²	134.4	92%	0.918	77%	0.77	S	S	*	*			trans	57	101.3	163.9	-45	178.2	0	0	0	118.7
57	S	36.6	Very low	44	Very low	124 Å²	124	133.9 Å²	133.9	87%	0.867	75%	0.751	S	S	*	*			trans	-170.4	148.8	140	-171.9	0	0	0	0	107.9
58	G	47.2	Very low	46	Very low	81 Å²	81	134.3 Å²	134.3	84%	0.835	74%	0.735	S	S	*	*			cis	148.9	-6.4	-0.4	0	0	0	0	0	114.5
59	G	47.7	Very low	47.8	Very low	67 Å²	67	127.3 Å²	127.3	69%	0.691	71%	0.712	S	S	*	*			trans	-176.7	134.1	173.1	0	0	0	0	0	113.5
60	S	57	Low	49.1	Very low	83 Å²	83	122.7 Å²	122.7	58%	0.58	70%	0.696	S	S	*	*	S	Bend	trans	-170.4	-52.8	168.7	176.7	0	0	0	0	111.6	F62 T63 W64	S60-F62 PolarHBondContact O-N 2.73Å; S60-T63 PolarHBondContact O-N 3.19Å; S60-T63 PolarHBondContact O-OG1 3.05Å; S60-W64 PolarHBondContact O-N 3.46Å
61	F	49.7	Very low	50.7	Low	184 Å²	184	119.4 Å²	119.4	81%	0.807	68%	0.678	S	S	*	*	H	α-helix	trans	-67.1	-39.6	-175.7	-96.6	-89.5	0	0	0	114	F65	F61-F65 PolarHBondContact O-N 3.35Å
62	F	49.3	Very low	52.3	Low	181 Å²	181	117.9 Å²	117.9	79%	0.794	66%	0.663	S	S	*	*	H	α-helix	trans	-72.5	-32.2	-179.1	-131.6	-86.9	0	0	0	112.5	S60 M66	S60-F62 PolarHBondContact O-N 2.73Å; F62-M66 PolarHBondContact O-N 2.8Å; F62-M66 VanDerWaalsContact O-N 3.13Å
63	T	56.9	Low	54	Low	88 Å²	88	111 Å²	111	54%	0.54	65%	0.645	S	S	.	*	H	α-helix	trans	-70	-41.1	176.4	16.6	0	0	0	0	112	S60 M66 V67	S60-T63 PolarHBondContact O-N 3.19Å; S60-T63 PolarHBondContact O-OG1 3.05Å; T63-M66 WeakPolarHBondContact O-CB 3.38Å; T63-M66 PolarHBondContact O-N 3.47Å; T63-V67 WeakPolarHBondContact O-CG2 3.49Å; T63-V67 PolarHBondContact O-N 3.04Å
64	W	54.2	Low	54.7	Low	176 Å²	176	109.4 Å²	109.4	67%	0.667	64%	0.64	S	S	*	*	H	α-helix	trans	-68	-37.1	179.3	-157.2	67.8	0	0	0	112.7	S60 V67 I68	S60-W64 PolarHBondContact O-N 3.46Å; W64-V67 PolarHBondContact O-N 3.34Å; W64-I68 HydrophobicContact CD2-CD1 3.85Å; W64-I68 HydrophobicContact CE3-CD1 3.61Å; W64-I68 HydrophobicContact CH2-CD1 3.5Å; W64-I68 VanDerWaalsContact CH2-CD1 3.5Å; W64-I68 HydrophobicContact CZ2-CD1 3.72Å; W64-I68 HydrophobicContact CZ3-CD1 3.43Å; W64-I68 VanDerWaalsContact CZ3-CD1 3.43Å; W64-I68 PolarHBondContact O-N 3.47Å
65	F	64.2	Low	55.8	Low	150 Å²	150	109.7 Å²	109.7	66%	0.658	63%	0.625	S	S	*	*	H	α-helix	trans	-66.6	-37.8	172.6	-114.2	-82.9	0	0	0	112.7	F61 I68 A69	F61-F65 PolarHBondContact O-N 3.35Å; F65-I68 PolarHBondContact O-N 2.94Å; F65-A69 VanDerWaalsContact O-CB 3.27Å; F65-A69 WeakPolarHBondContact O-CB 3.37Å; F65-A69 PolarHBondContact O-N 3.1Å
66	M	63	Low	56.8	Low	114 Å²	114	109.3 Å²	109.3	56%	0.562	61%	0.611	S	S	*	*	H	α-helix	trans	-60.6	-44.9	170.1	-98.2	-74.9	-176.8	0	0	112	F62 T63 A69 L70	F62-M66 PolarHBondContact O-N 2.8Å; F62-M66 VanDerWaalsContact O-N 3.13Å; T63-M66 WeakPolarHBondContact O-CB 3.38Å; T63-M66 PolarHBondContact O-N 3.47Å; M66-A69 PolarHBondContact O-N 2.83Å; M66-L70 WeakPolarHBondContact O-CB 3.11Å; M66-L70 VanDerWaalsContact O-CG 3.28Å; M66-L70 WeakPolarHBondContact O-CG 3.21Å; M66-L70 PolarHBondContact O-N 2.74Å
67	V	67.9	Low	57.2	Low	73 Å²	73	105.1 Å²	105.1	44%	0.442	59%	0.593	S	S	.	*	H	α-helix	trans	-63.8	-42.4	178.3	168.7	0	0	0	0	111.8	T63 W64 L70 L71	T63-V67 WeakPolarHBondContact O-CG2 3.49Å; T63-V67 PolarHBondContact O-N 3.04Å; W64-V67 PolarHBondContact O-N 3.34Å; V67-L70 PolarHBondContact O-N 2.92Å; V67-L71 HydrophobicContact CG1-CD1 3.86Å; V67-L71 HydrophobicContact CG1-CG 4.45Å; V67-L71 WeakPolarHBondContact O-CB 3.36Å; V67-L71 VanDerWaalsContact O-CG 3.32Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 2.97Å
68	I	70.3	Confident	57.8	Low	79 Å²	79	100.9 Å²	100.9	41%	0.405	57%	0.566	S	S	.	*	H	α-helix	trans	-70	-37	176.3	-70.4	179.3	0	0	0	111.9	W64 F65 G72	W64-I68 HydrophobicContact CD2-CD1 3.85Å; W64-I68 HydrophobicContact CE3-CD1 3.61Å; W64-I68 HydrophobicContact CH2-CD1 3.5Å; W64-I68 VanDerWaalsContact CH2-CD1 3.5Å; W64-I68 HydrophobicContact CZ2-CD1 3.72Å; W64-I68 HydrophobicContact CZ3-CD1 3.43Å; W64-I68 VanDerWaalsContact CZ3-CD1 3.43Å; W64-I68 PolarHBondContact O-N 3.47Å; F65-I68 PolarHBondContact O-N 2.94Å; I68-G72 PolarHBondContact O-N 3.07Å
69	A	68.4	Low	58	Low	54 Å²	54	101.1 Å²	101.1	45%	0.446	55%	0.551	S	S	.	*	H	α-helix	trans	-64.2	-42.5	173.9	0	0	0	0	0	111.5	F65 M66 G72 V73	F65-A69 VanDerWaalsContact O-CB 3.27Å; F65-A69 WeakPolarHBondContact O-CB 3.37Å; F65-A69 PolarHBondContact O-N 3.1Å; M66-A69 PolarHBondContact O-N 2.83Å; A69-G72 PolarHBondContact O-N 3.16Å; A69-V73 WeakPolarHBondContact O-CB 3.25Å; A69-V73 VanDerWaalsContact O-CG2 3.3Å; A69-V73 WeakPolarHBondContact O-CG2 3.34Å; A69-V73 PolarHBondContact O-N 2.95Å
70	L	64.1	Low	57.9	Low	95 Å²	95	102.4 Å²	102.4	50%	0.497	55%	0.545	S	S	.	.	H	α-helix	trans	-67.1	-43.8	176.2	-73.5	167.2	0	0	0	112	M66 V67 V73 W74	M66-L70 WeakPolarHBondContact O-CB 3.11Å; M66-L70 VanDerWaalsContact O-CG 3.28Å; M66-L70 WeakPolarHBondContact O-CG 3.21Å; M66-L70 PolarHBondContact O-N 2.74Å; V67-L70 PolarHBondContact O-N 2.92Å; L70-V73 PolarHBondContact O-N 2.57Å; L70-W74 WeakPolarHBondContact O-CB 3.42Å; L70-W74 VanDerWaalsContact O-CD1 3.23Å; L70-W74 PolarHBondContact O-N 3.35Å
71	L	64.6	Low	57.2	Low	105 Å²	105	106.5 Å²	106.5	55%	0.55	55%	0.548	S	S	.	.	H	α-helix	trans	-61.9	-42.2	173.3	-76.5	168.2	0	0	0	111.6	V67 W74 T75	V67-L71 HydrophobicContact CG1-CD1 3.86Å; V67-L71 HydrophobicContact CG1-CG 4.45Å; V67-L71 WeakPolarHBondContact O-CB 3.36Å; V67-L71 VanDerWaalsContact O-CG 3.32Å; V67-L71 WeakPolarHBondContact O-CG 3.44Å; V67-L71 PolarHBondContact O-N 2.97Å; L71-W74 PolarHBondContact O-N 3.44Å; L71-T75 WeakPolarHBondContact O-CG2 3.33Å; L71-T75 PolarHBondContact O-N 3.01Å; L71-T75 PolarHBondContact O-OG1 2.93Å
72	G	65.6	Low	56.9	Low	33 Å²	33	103.3 Å²	103.3	34%	0.34	53%	0.534	S	S	.	.	H	α-helix	trans	-59.2	-50.4	174.4	0	0	0	0	0	111.8	I68 A69 W74 T75 S76	I68-G72 PolarHBondContact O-N 3.07Å; A69-G72 PolarHBondContact O-N 3.16Å; G72-W74 PolarHBondContact O-N 3.26Å; G72-T75 PolarHBondContact O-N 3.44Å; G72-T75 PolarHBondContact O-OG1 2.7Å; G72-S76 PolarHBondContact O-N 2.7Å; G72-S76 PolarHBondContact O-OG 2.59Å
73	V	70.5	Confident	56.6	Low	83 Å²	83	101.5 Å²	101.5	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-58.4	-48	175	169.2	0	0	0	0	110.8	A69 L70 T75 S76 V77	A69-V73 WeakPolarHBondContact O-CB 3.25Å; A69-V73 VanDerWaalsContact O-CG2 3.3Å; A69-V73 WeakPolarHBondContact O-CG2 3.34Å; A69-V73 PolarHBondContact O-N 2.95Å; L70-V73 PolarHBondContact O-N 2.57Å; V73-T75 PolarHBondContact O-N 3.12Å; V73-S76 WeakPolarHBondContact CA-OG 3.32Å; V73-S76 PolarHBondContact O-N 2.74Å; V73-S76 VanDerWaalsContact O-N 3.14Å; V73-S76 PolarHBondContact O-OG 3Å; V73-V77 HydrophobicContact CG1-CG2 4.23Å; V73-V77 WeakPolarHBondContact O-CG2 3.31Å; V73-V77 PolarHBondContact O-N 3.3Å
74	W	47.8	Very low	56.1	Low	194 Å²	194	104 Å²	104	74%	0.735	54%	0.542	S	S	*	.	H	α-helix	trans	-60.1	-41.2	176.5	-88.7	66.9	0	0	0	112.8	L70 L71 G72 V77 A78	L70-W74 WeakPolarHBondContact O-CB 3.42Å; L70-W74 VanDerWaalsContact O-CD1 3.23Å; L70-W74 PolarHBondContact O-N 3.35Å; L71-W74 PolarHBondContact O-N 3.44Å; G72-W74 PolarHBondContact O-N 3.26Å; W74-V77 PolarHBondContact O-N 2.82Å; W74-A78 WeakPolarHBondContact O-CB 3.27Å; W74-A78 PolarHBondContact O-N 3.17Å
75	T	52.9	Low	55.6	Low	89 Å²	89	97.5 Å²	97.5	55%	0.546	52%	0.521	S	S	.	.	H	α-helix	trans	-66.4	-36.3	174.2	54.8	0	0	0	0	112.6	L71 G72 V73 V79	L71-T75 WeakPolarHBondContact O-CG2 3.33Å; L71-T75 PolarHBondContact O-N 3.01Å; L71-T75 PolarHBondContact O-OG1 2.93Å; G72-T75 PolarHBondContact O-N 3.44Å; G72-T75 PolarHBondContact O-OG1 2.7Å; V73-T75 PolarHBondContact O-N 3.12Å; T75-V79 WeakPolarHBondContact O-CB 3.32Å; T75-V79 VanDerWaalsContact O-CG2 3.3Å; T75-V79 WeakPolarHBondContact O-CG2 3.43Å; T75-V79 PolarHBondContact O-N 3.14Å
76	S	51.9	Low	54.8	Low	63 Å²	63	95.5 Å²	95.5	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-71.3	-38.2	175.4	63.9	0	0	0	0	113.4	G72 V73 V80	G72-S76 PolarHBondContact O-N 2.7Å; G72-S76 PolarHBondContact O-OG 2.59Å; V73-S76 WeakPolarHBondContact CA-OG 3.32Å; V73-S76 PolarHBondContact O-N 2.74Å; V73-S76 VanDerWaalsContact O-N 3.14Å; V73-S76 PolarHBondContact O-OG 3Å; S76-V80 WeakPolarHBondContact O-CB 3.28Å; S76-V80 VanDerWaalsContact O-CG2 3.32Å; S76-V80 WeakPolarHBondContact O-CG2 3.46Å; S76-V80 PolarHBondContact O-N 3.23Å
77	V	51.1	Low	53.9	Low	92 Å²	92	94.9 Å²	94.9	56%	0.558	51%	0.51	S	S	*	.	H	α-helix	trans	-68.1	-40.8	173.9	171.6	0	0	0	0	110.2	V73 W74 V80 W81	V73-V77 HydrophobicContact CG1-CG2 4.23Å; V73-V77 WeakPolarHBondContact O-CG2 3.31Å; V73-V77 PolarHBondContact O-N 3.3Å; W74-V77 PolarHBondContact O-N 2.82Å; V77-V80 PolarHBondContact O-N 3.33Å; V77-W81 VanDerWaalsContact O-CB 3.31Å; V77-W81 WeakPolarHBondContact O-CB 3.31Å; V77-W81 PolarHBondContact O-N 2.75Å
78	A	49.5	Very low	53	Low	35 Å²	35	99.4 Å²	99.4	29%	0.289	53%	0.526	S	S	.	.	H	α-helix	trans	-59.2	-52.9	172.9	0	0	0	0	0	111.1	W74 V80 W81 F82	W74-A78 WeakPolarHBondContact O-CB 3.27Å; W74-A78 PolarHBondContact O-N 3.17Å; A78-V80 VanDerWaalsContact C-N 3.32Å; A78-V80 PolarHBondContact O-N 3.03Å; A78-W81 CarbonylContact O-C 3.53Å; A78-W81 WeakPolarHBondContact O-CA 3.47Å; A78-W81 PolarHBondContact O-N 3.19Å; A78-F82 HydrophobicContact CB-CD2 4.17Å; A78-F82 HydrophobicContact CB-CE2 4.15Å; A78-F82 WeakPolarHBondContact O-CD2 3.49Å; A78-F82 PolarHBondContact O-N 3.48Å
79	V	51	Low	51.8	Low	86 Å²	86	101.3 Å²	101.3	52%	0.521	53%	0.533	S	S	.	.	H	α-helix	trans	-56.9	-44.4	178.2	168.1	0	0	0	0	111.7	T75 W81 F82 D83	T75-V79 WeakPolarHBondContact O-CB 3.32Å; T75-V79 VanDerWaalsContact O-CG2 3.3Å; T75-V79 WeakPolarHBondContact O-CG2 3.43Å; T75-V79 PolarHBondContact O-N 3.14Å; V79-W81 VanDerWaalsContact C-N 3.26Å; V79-W81 PolarHBondContact O-N 3.16Å; V79-F82 PolarHBondContact O-N 2.85Å; V79-D83 WeakPolarHBondContact O-CB 3.13Å; V79-D83 PolarHBondContact O-N 2.76Å
80	V	46.1	Very low	50.7	Low	94 Å²	94	101.3 Å²	101.3	57%	0.57	53%	0.527	S	S	*	.	H	α-helix	trans	-68.7	-21.7	176.8	172.3	0	0	0	0	113	S76 V77 A78 L84	S76-V80 WeakPolarHBondContact O-CB 3.28Å; S76-V80 VanDerWaalsContact O-CG2 3.32Å; S76-V80 WeakPolarHBondContact O-CG2 3.46Å; S76-V80 PolarHBondContact O-N 3.23Å; V77-V80 PolarHBondContact O-N 3.33Å; A78-V80 VanDerWaalsContact C-N 3.32Å; A78-V80 PolarHBondContact O-N 3.03Å; V80-L84 VanDerWaalsContact O-CB 3.23Å; V80-L84 WeakPolarHBondContact O-CB 3.49Å
81	W	42.3	Very low	50	Low	168 Å²	168	102 Å²	102	64%	0.636	53%	0.531	S	S	*	.	H	α-helix	trans	-86	-37.4	174.5	-158.8	63.8	0	0	0	112	V77 A78 V79 L84 V85	V77-W81 VanDerWaalsContact O-CB 3.31Å; V77-W81 WeakPolarHBondContact O-CB 3.31Å; V77-W81 PolarHBondContact O-N 2.75Å; A78-W81 CarbonylContact O-C 3.53Å; A78-W81 WeakPolarHBondContact O-CA 3.47Å; A78-W81 PolarHBondContact O-N 3.19Å; V79-W81 VanDerWaalsContact C-N 3.26Å; V79-W81 PolarHBondContact O-N 3.16Å; W81-L84 PolarHBondContact O-N 3.25Å; W81-V85 WeakPolarHBondContact O-CG2 3.45Å; W81-V85 PolarHBondContact O-N 3Å
82	F	43.2	Very low	49.2	Very low	118 Å²	118	100.2 Å²	100.2	52%	0.518	54%	0.538	S	S	.	.	H	α-helix	trans	-70.9	-31.6	175.1	-77.1	-70.7	0	0	0	113	A78 V79 L84 Y87	A78-F82 HydrophobicContact CB-CD2 4.17Å; A78-F82 HydrophobicContact CB-CE2 4.15Å; A78-F82 WeakPolarHBondContact O-CD2 3.49Å; A78-F82 PolarHBondContact O-N 3.48Å; V79-F82 PolarHBondContact O-N 2.85Å; F82-L84 VanDerWaalsContact C-N 3.33Å; F82-Y87 AromaticContact CD1-CE2 3.9Å; F82-Y87 HydrophobicContact CD1-CE2 3.9Å; F82-Y87 AromaticContact CD1-CZ 3.86Å; F82-Y87 WeakPolarHBondContact CD1-OH 3.28Å; F82-Y87 WeakPolarHBondContact CE1-OH 3.45Å
83	D	44.2	Very low	48.4	Very low	143 Å²	143	104.3 Å²	104.3	77%	0.765	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-5	174.8	-87.1	-16.7	0	0	0	113.9	V79	V79-D83 WeakPolarHBondContact O-CB 3.13Å; V79-D83 PolarHBondContact O-N 2.76Å
84	L	45.5	Very low	47.2	Very low	141 Å²	141	102.8 Å²	102.8	74%	0.738	54%	0.535	S	S	*	.	S	Bend	trans	-124	5.1	-173.1	-144.6	157.9	0	0	0	112.8	V80 W81 F82	V80-L84 VanDerWaalsContact O-CB 3.23Å; V80-L84 WeakPolarHBondContact O-CB 3.49Å; W81-L84 PolarHBondContact O-N 3.25Å; F82-L84 VanDerWaalsContact C-N 3.33Å
85	V	44	Very low	47.5	Very low	38 Å²	38	95.8 Å²	95.8	23%	0.23	52%	0.524	C	S	.	.	S	Bend	trans	-113	116.4	172.7	170.5	0	0	0	0	108.2	W81 Y87 V90	W81-V85 WeakPolarHBondContact O-CG2 3.45Å; W81-V85 PolarHBondContact O-N 3Å; V85-Y87 HydrophobicContact CB-CE2 4.26Å; V85-Y87 HydrophobicContact CG1-CD2 4.32Å; V85-Y87 HydrophobicContact CG1-CE2 4.11Å; V85-Y87 WeakPolarHBondContact O-CD2 3.41Å; V85-Y87 PolarHBondContact O-N 3.14Å; V85-Y87 VanDerWaalsContact O-N 3.17Å; V85-V90 HydrophobicContact CG1-CB 4.38Å; V85-V90 HydrophobicContact CG1-CG2 3.54Å
86	D	46.1	Very low	47.6	Very low	108 Å²	108	97.1 Å²	97.1	58%	0.578	53%	0.531	S	S	*	.			trans	-71.2	108.7	170.5	-165.8	-32.3	0	0	0	109	E88 E89 V90	D86-E88 PolarHBondContact O-N 3.4Å; D86-E88 PolarHBondContact OD1-N 2.83Å; D86-E88 VanDerWaalsContact OD1-N 3.08Å; D86-E89 HydrophobicContact CB-CB 4.44Å; D86-E89 PolarHBondContact O-N 3.3Å; D86-V90 PolarHBondContact O-N 3.08Å
87	Y	44.7	Very low	47.9	Very low	102 Å²	102	100.9 Å²	100.9	40%	0.4	54%	0.537	S	S	.	.	H	α-helix	trans	-68.7	-22	-174.7	-93.2	-88.2	0	0	0	113.2	F82 V85 L91	F82-Y87 AromaticContact CD1-CE2 3.9Å; F82-Y87 HydrophobicContact CD1-CE2 3.9Å; F82-Y87 AromaticContact CD1-CZ 3.86Å; F82-Y87 WeakPolarHBondContact CD1-OH 3.28Å; F82-Y87 WeakPolarHBondContact CE1-OH 3.45Å; V85-Y87 HydrophobicContact CB-CE2 4.26Å; V85-Y87 HydrophobicContact CG1-CD2 4.32Å; V85-Y87 HydrophobicContact CG1-CE2 4.11Å; V85-Y87 WeakPolarHBondContact O-CD2 3.41Å; V85-Y87 PolarHBondContact O-N 3.14Å; V85-Y87 VanDerWaalsContact O-N 3.17Å; Y87-L91 WeakPolarHBondContact O-CB 3.36Å; Y87-L91 WeakPolarHBondContact O-CD1 3.36Å; Y87-L91 VanDerWaalsContact O-CG 3.23Å; Y87-L91 WeakPolarHBondContact O-CG 3.37Å; Y87-L91 PolarHBondContact O-N 3.04Å
88	E	48.7	Very low	49	Very low	167 Å²	167	98.6 Å²	98.6	78%	0.78	52%	0.522	S	S	*	.	H	α-helix	trans	-74.6	-37.4	176.4	-62.3	-169.5	177.4	0	0	110.9	D86 V90 G92	D86-E88 PolarHBondContact O-N 3.4Å; D86-E88 PolarHBondContact OD1-N 2.83Å; D86-E88 VanDerWaalsContact OD1-N 3.08Å; E88-V90 VanDerWaalsContact C-N 3.32Å; E88-V90 PolarHBondContact O-N 3.28Å; E88-G92 PolarHBondContact O-N 3.25Å
89	E	45	Very low	50.3	Low	120 Å²	120	97.3 Å²	97.3	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-70.8	-27.4	174.1	-149.4	-153	145.1	0	0	112.8	D86 K93	D86-E89 HydrophobicContact CB-CB 4.44Å; D86-E89 PolarHBondContact O-N 3.3Å; E89-K93 IonicContact OE1-NZ 2.91Å; E89-K93 PolarHBondContact OE1-NZ 3.13Å
90	V	46.6	Very low	51.6	Low	53 Å²	53	94.9 Å²	94.9	32%	0.321	50%	0.495	S	S	.	.	H	α-helix	trans	-81.8	-37	176	172.2	0	0	0	0	112.4	V85 D86 E88 G92 K93 L94	V85-V90 HydrophobicContact CG1-CB 4.38Å; V85-V90 HydrophobicContact CG1-CG2 3.54Å; D86-V90 PolarHBondContact O-N 3.08Å; E88-V90 VanDerWaalsContact C-N 3.32Å; E88-V90 PolarHBondContact O-N 3.28Å; V90-G92 VanDerWaalsContact C-N 3.31Å; V90-G92 PolarHBondContact O-N 2.87Å; V90-K93 CarbonylContact O-C 3.58Å; V90-K93 WeakPolarHBondContact O-CA 3.04Å; V90-K93 PolarHBondContact O-N 3.34Å; V90-L94 HydrophobicContact CG1-CD1 3.99Å; V90-L94 HydrophobicContact CG1-CG 4.45Å; V90-L94 PolarHBondContact O-N 3.35Å
91	L	49.4	Very low	52.9	Low	110 Å²	110	93.1 Å²	93.1	58%	0.576	50%	0.496	S	S	*	.	H	α-helix	trans	-60.7	-41.7	171.8	-77.2	166.2	0	0	0	111.1	Y87 K93 L94	Y87-L91 WeakPolarHBondContact O-CB 3.36Å; Y87-L91 WeakPolarHBondContact O-CD1 3.36Å; Y87-L91 VanDerWaalsContact O-CG 3.23Å; Y87-L91 WeakPolarHBondContact O-CG 3.37Å; Y87-L91 PolarHBondContact O-N 3.04Å; L91-K93 PolarHBondContact O-N 3.19Å; L91-K93 VanDerWaalsContact O-N 3.08Å; L91-L94 PolarHBondContact O-N 3.43Å
92	G	47.3	Very low	54.5	Low	68 Å²	68	90 Å²	90	70%	0.701	49%	0.492	S	S	*	.	H	α-helix	trans	-61.6	-13.2	171.9	0	0	0	0	0	115.3	E88 V90	E88-G92 PolarHBondContact O-N 3.25Å; V90-G92 VanDerWaalsContact C-N 3.31Å; V90-G92 PolarHBondContact O-N 2.87Å
93	K	49.1	Very low	55.7	Low	119 Å²	119	86.9 Å²	86.9	52%	0.517	49%	0.493	S	S	.	.	H	α-helix	trans	-107.1	-8.9	174	-71.4	169.3	-174.2	161.9	0	113.5	E89 V90 L91	E89-K93 IonicContact OE1-NZ 2.91Å; E89-K93 PolarHBondContact OE1-NZ 3.13Å; V90-K93 CarbonylContact O-C 3.58Å; V90-K93 WeakPolarHBondContact O-CA 3.04Å; V90-K93 PolarHBondContact O-N 3.34Å; L91-K93 PolarHBondContact O-N 3.19Å; L91-K93 VanDerWaalsContact O-N 3.08Å
94	L	46	Very low	57	Low	50 Å²	50	85 Å²	85	26%	0.262	48%	0.483	S	S	.	.	H	α-helix	trans	-85.5	-24.2	178.6	-90.2	164.4	0	0	0	113.4	V90 L91 V96 Y97 F105	V90-L94 HydrophobicContact CG1-CD1 3.99Å; V90-L94 HydrophobicContact CG1-CG 4.45Å; V90-L94 PolarHBondContact O-N 3.35Å; L91-L94 PolarHBondContact O-N 3.43Å; L94-V96 PolarHBondContact O-N 2.84Å; L94-Y97 HydrophobicContact CD2-CD2 4.18Å; L94-Y97 WeakPolarHBondContact O-CA 3.08Å; L94-Y97 WeakPolarHBondContact O-CB 3.46Å; L94-Y97 PolarHBondContact O-N 3.42Å; L94-F105 HydrophobicContact CB-CB 4.17Å; L94-F105 HydrophobicContact CB-CG 4.43Å; L94-F105 HydrophobicContact CD2-CD1 3.94Å; L94-F105 HydrophobicContact CD2-CE1 4.17Å; L94-F105 HydrophobicContact CD2-CG 4.15Å
95	G	52.7	Low	58.5	Low	48 Å²	48	82 Å²	82	50%	0.495	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	4.1	168.7	0	0	0	0	0	115.2	Y97	G95-Y97 VanDerWaalsContact C-N 3.35Å
96	V	55.9	Low	60.3	Low	116 Å²	116	83 Å²	83	70%	0.703	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-10.7	166.6	-170	0	0	0	0	111.4	L94	L94-V96 PolarHBondContact O-N 2.84Å
97	Y	57.9	Low	62	Low	142 Å²	142	82.4 Å²	82.4	56%	0.557	47%	0.468	S	S	*	.	S	Bend	trans	-112	8.2	178.2	-62.3	-85.8	0	0	0	113.3	L94 G95 A99	L94-Y97 HydrophobicContact CD2-CD2 4.18Å; L94-Y97 WeakPolarHBondContact O-CA 3.08Å; L94-Y97 WeakPolarHBondContact O-CB 3.46Å; L94-Y97 PolarHBondContact O-N 3.42Å; G95-Y97 VanDerWaalsContact C-N 3.35Å; Y97-A99 PolarHBondContact O-N 2.91Å
98	D	74.1	Confident	63.5	Low	44 Å²	44	79.8 Å²	79.8	24%	0.235	46%	0.461	C	S	.	.			trans	-51.1	107	158.6	175.1	3.8	0	0	0	108.1	G101 G103	D98-G101 WeakPolarHBondContact OD1-CA 3.5Å; D98-G101 PolarHBondContact OD1-N 3.45Å; D98-G103 PolarHBondContact OD2-N 3.32Å
99	A	76.8	Confident	65	Low	9 Å²	9	71.8 Å²	71.8	7%	0.074	42%	0.424	C	S	.	.			trans	-104	-28.4	-172.6	0	0	0	0	0	111.2	Y97 D109 V112 L113 R119	Y97-A99 PolarHBondContact O-N 2.91Å; A99-D109 HydrophobicContact CB-CB 4.34Å; A99-D109 PolarHBondContact N-OD1 3Å; A99-V112 HydrophobicContact CB-CB 4.05Å; A99-V112 HydrophobicContact CB-CG1 3.94Å; A99-L113 HydrophobicContact CB-CD2 4.1Å; A99-L113 HydrophobicContact CB-CG 3.94Å; A99-R119 WeakPolarHBondContact O-CG 3.32Å; A99-R119 PolarHBondContact O-NE 3.35Å
100	D	78.8	Confident	66.6	Low	35 Å²	35	67.8 Å²	67.8	19%	0.187	41%	0.411	C	S	.	.	S	Bend	trans	-92.7	-41.6	-173.1	175.2	-70.6	0	0	0	112.9	D109 V112 K117 S120	D100-D109 WeakPolarHBondContact CB-OD1 3.42Å; D100-D109 PolarHBondContact N-OD1 3.38Å; D100-D109 VanDerWaalsContact N-OD1 3.12Å; D100-V112 HydrophobicContact CB-CG2 4.26Å; D100-K117 VanDerWaalsContact OD2-CE 3.25Å; D100-K117 WeakPolarHBondContact OD2-CE 3.36Å; D100-K117 IonicContact OD2-NZ 2.59Å; D100-K117 PolarHBondContact OD2-NZ 3.5Å; D100-S120 PolarHBondContact O-OG 2.95Å; D100-S120 VanDerWaalsContact O-OG 3.07Å
101	G	73.1	Confident	68	Low	57 Å²	57	68.8 Å²	68.8	59%	0.588	41%	0.412	S	S	*	.	S	Bend	trans	115.9	17.4	169.8	0	0	0	0	0	116.5	D98	D98-G101 WeakPolarHBondContact OD1-CA 3.5Å; D98-G101 PolarHBondContact OD1-N 3.45Å
102	D	75.3	Confident	69.4	Low	101 Å²	101	64.6 Å²	64.6	54%	0.54	39%	0.39	S	S	.	.	S	Bend	trans	-94.6	-20.4	-174.3	80.9	-5.1	0	0	0	115.3	D104	D102-D104 PolarHBondContact OD1-N 3.26Å
103	G	69.8	Low	70.5	Confident	53 Å²	53	66.3 Å²	66.3	55%	0.546	38%	0.383	S	S	.	.	S	Bend	trans	107.8	8.8	167.3	0	0	0	0	0	117.3	D98	D98-G103 PolarHBondContact OD2-N 3.32Å
104	D	70.1	Confident	71.9	Confident	104 Å²	104	66.8 Å²	66.8	56%	0.556	39%	0.39	S	S	*	.	S	Bend	trans	-119.1	-139.3	161.4	69.5	-101.5	0	0	0	114.5	D102	D102-D104 PolarHBondContact OD1-N 3.26Å
105	F	76.9	Confident	72.6	Confident	79 Å²	79	67.5 Å²	67.5	35%	0.346	41%	0.41	S	S	.	.			trans	-150.5	103	174.8	179.9	-98.8	0	0	0	110.1	L94 D109 L113	L94-F105 HydrophobicContact CB-CB 4.17Å; L94-F105 HydrophobicContact CB-CG 4.43Å; L94-F105 HydrophobicContact CD2-CD1 3.94Å; L94-F105 HydrophobicContact CD2-CE1 4.17Å; L94-F105 HydrophobicContact CD2-CG 4.15Å; F105-D109 VanDerWaalsContact CA-OD2 3.28Å; F105-D109 WeakPolarHBondContact CA-OD2 3.33Å; F105-D109 HydrophobicContact CD2-CB 3.99Å; F105-D109 HydrophobicContact CE2-CB 3.94Å; F105-L113 HydrophobicContact CE2-CD1 4.05Å
106	D	83	Confident	73.1	Confident	57 Å²	57	71.6 Å²	71.6	31%	0.305	42%	0.42	S	S	.	.			trans	-129.3	-166.5	-159.5	116.7	-58.7	0	0	0	113.9	D108 D109 A110	D106-D108 VanDerWaalsContact OD1-CA 3.32Å; D106-D108 WeakPolarHBondContact OD1-CA 3.12Å; D106-D108 VanDerWaalsContact OD1-CB 3.31Å; D106-D108 WeakPolarHBondContact OD1-CB 3.04Å; D106-D108 PolarHBondContact OD1-N 2.95Å; D106-D108 PolarHBondContact OD2-N 3.14Å; D106-D109 PolarHBondContact N-OD2 2.82Å; D106-D109 PolarHBondContact OD1-N 3.48Å; D106-A110 PolarHBondContact O-N 2.65Å
107	V	80.5	Confident	73.5	Confident	96 Å²	96	69.7 Å²	69.7	58%	0.582	40%	0.402	S	S	*	.	H	α-helix	trans	-75.5	-23.2	178.2	-172.7	0	0	0	0	112.6	K111	V107-K111 WeakPolarHBondContact O-CG 3.47Å; V107-K111 PolarHBondContact O-N 3.4Å; V107-K111 VanDerWaalsContact O-N 3.16Å
108	D	76.2	Confident	73.5	Confident	47 Å²	47	71.8 Å²	71.8	25%	0.251	42%	0.417	S	S	.	.	H	α-helix	trans	-80.6	-34.9	173.8	-84.1	50.9	0	0	0	112.5	D106 A110 K111 V112 K117	D106-D108 VanDerWaalsContact OD1-CA 3.32Å; D106-D108 WeakPolarHBondContact OD1-CA 3.12Å; D106-D108 VanDerWaalsContact OD1-CB 3.31Å; D106-D108 WeakPolarHBondContact OD1-CB 3.04Å; D106-D108 PolarHBondContact OD1-N 2.95Å; D106-D108 PolarHBondContact OD2-N 3.14Å; D108-A110 VanDerWaalsContact C-N 3.3Å; D108-A110 PolarHBondContact O-N 3.49Å; D108-K111 WeakPolarHBondContact O-CA 3.27Å; D108-K111 WeakPolarHBondContact O-CB 3.23Å; D108-K111 PolarHBondContact O-N 3.16Å; D108-K111 IonicContact OD1-NZ 2.57Å; D108-K111 PolarHBondContact OD1-NZ 2.97Å; D108-K111 IonicContact OD2-NZ 3.92Å; D108-V112 PolarHBondContact O-N 3.23Å; D108-K117 HydrophobicContact CB-CD 4.44Å; D108-K117 IonicContact OD2-NZ 2.7Å; D108-K117 PolarHBondContact OD2-NZ 2.85Å
109	D	81.6	Confident	72.2	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-57.1	-46.2	164.6	-70.2	-55	0	0	0	111.5	A99 D100 F105 D106 K111 V112 L113	A99-D109 HydrophobicContact CB-CB 4.34Å; A99-D109 PolarHBondContact N-OD1 3Å; D100-D109 WeakPolarHBondContact CB-OD1 3.42Å; D100-D109 PolarHBondContact N-OD1 3.38Å; D100-D109 VanDerWaalsContact N-OD1 3.12Å; F105-D109 VanDerWaalsContact CA-OD2 3.28Å; F105-D109 WeakPolarHBondContact CA-OD2 3.33Å; F105-D109 HydrophobicContact CD2-CB 3.99Å; F105-D109 HydrophobicContact CE2-CB 3.94Å; D106-D109 PolarHBondContact N-OD2 2.82Å; D106-D109 PolarHBondContact OD1-N 3.48Å; D109-K111 PolarHBondContact O-N 2.95Å; D109-V112 PolarHBondContact O-N 3.5Å; D109-V112 VanDerWaalsContact O-N 3.1Å; D109-L113 WeakPolarHBondContact O-CB 3.31Å; D109-L113 WeakPolarHBondContact O-CG 3.33Å; D109-L113 PolarHBondContact O-N 3.03Å
110	A	77.3	Confident	71	Confident	36 Å²	36	80.7 Å²	80.7	30%	0.298	46%	0.459	S	S	.	.	H	α-helix	trans	-59.7	-31.9	174.6	0	0	0	0	0	112.1	D106 D108 L114	D106-A110 PolarHBondContact O-N 2.65Å; D108-A110 VanDerWaalsContact C-N 3.3Å; D108-A110 PolarHBondContact O-N 3.49Å; A110-L114 WeakPolarHBondContact O-CB 3.39Å; A110-L114 WeakPolarHBondContact O-CD1 3.39Å; A110-L114 WeakPolarHBondContact O-CG 3.46Å; A110-L114 PolarHBondContact O-N 3.47Å
111	K	76.8	Confident	68.8	Low	74 Å²	74	85.4 Å²	85.4	32%	0.322	49%	0.489	S	S	.	.	H	α-helix	trans	-70.7	-41	172.8	-69.7	162.2	-161.2	153.3	0	112	V107 D108 D109 L114 G115 L116 K117	V107-K111 WeakPolarHBondContact O-CG 3.47Å; V107-K111 PolarHBondContact O-N 3.4Å; V107-K111 VanDerWaalsContact O-N 3.16Å; D108-K111 WeakPolarHBondContact O-CA 3.27Å; D108-K111 WeakPolarHBondContact O-CB 3.23Å; D108-K111 PolarHBondContact O-N 3.16Å; D108-K111 IonicContact OD1-NZ 2.57Å; D108-K111 PolarHBondContact OD1-NZ 2.97Å; D108-K111 IonicContact OD2-NZ 3.92Å; D109-K111 PolarHBondContact O-N 2.95Å; K111-L114 PolarHBondContact O-N 3.37Å; K111-G115 PolarHBondContact O-N 3.13Å; K111-L116 HydrophobicContact CB-CB 4.15Å; K111-L116 HydrophobicContact CG-CB 4.46Å; K111-L116 WeakPolarHBondContact O-CA 3.27Å; K111-L116 PolarHBondContact O-N 3.31Å; K111-K117 HydrophobicContact CB-CB 3.87Å; K111-K117 PolarHBondContact O-N 2.9Å
112	V	77.8	Confident	66.9	Low	21 Å²	21	88.7 Å²	88.7	13%	0.127	50%	0.503	C	S	.	.	H	α-helix	trans	-65.2	-46.8	176.2	176.9	0	0	0	0	110.6	A99 D100 D108 D109 L114 G115 K117 R119	A99-V112 HydrophobicContact CB-CB 4.05Å; A99-V112 HydrophobicContact CB-CG1 3.94Å; D100-V112 HydrophobicContact CB-CG2 4.26Å; D108-V112 PolarHBondContact O-N 3.23Å; D109-V112 PolarHBondContact O-N 3.5Å; D109-V112 VanDerWaalsContact O-N 3.1Å; V112-L114 VanDerWaalsContact C-N 3.29Å; V112-L114 PolarHBondContact O-N 3.29Å; V112-G115 PolarHBondContact O-N 2.95Å; V112-K117 HydrophobicContact CG2-CB 4.01Å; V112-K117 HydrophobicContact CG2-CD 4.01Å; V112-K117 HydrophobicContact CG2-CG 4.07Å; V112-R119 HydrophobicContact CG1-CB 4.01Å; V112-R119 HydrophobicContact CG1-CG 4.25Å
113	L	70.6	Confident	65.1	Low	105 Å²	105	90.5 Å²	90.5	55%	0.55	51%	0.509	S	S	.	.	H	α-helix	trans	-65.1	-28.5	178.4	-68.1	171.5	0	0	0	113.4	A99 F105 D109	A99-L113 HydrophobicContact CB-CD2 4.1Å; A99-L113 HydrophobicContact CB-CG 3.94Å; F105-L113 HydrophobicContact CE2-CD1 4.05Å; D109-L113 WeakPolarHBondContact O-CB 3.31Å; D109-L113 WeakPolarHBondContact O-CG 3.33Å; D109-L113 PolarHBondContact O-N 3.03Å
114	L	79	Confident	63.3	Low	128 Å²	128	97.9 Å²	97.9	67%	0.67	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	1.3	173.6	-68.1	171.7	0	0	0	113.9	A110 K111 V112 L116	A110-L114 WeakPolarHBondContact O-CB 3.39Å; A110-L114 WeakPolarHBondContact O-CD1 3.39Å; A110-L114 WeakPolarHBondContact O-CG 3.46Å; A110-L114 PolarHBondContact O-N 3.47Å; K111-L114 PolarHBondContact O-N 3.37Å; V112-L114 VanDerWaalsContact C-N 3.29Å; V112-L114 PolarHBondContact O-N 3.29Å; L114-L116 VanDerWaalsContact C-N 3.3Å; L114-L116 HydrophobicContact CB-CD1 4.01Å; L114-L116 HydrophobicContact CB-CG 3.98Å; L114-L116 HydrophobicContact CD1-CD1 4.35Å; L114-L116 PolarHBondContact O-N 2.92Å
115	G	61.4	Low	61.3	Low	66 Å²	66	98.8 Å²	98.8	68%	0.68	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	24.2	-179.1	0	0	0	0	0	114.5	K111 V112	K111-G115 PolarHBondContact O-N 3.13Å; V112-G115 PolarHBondContact O-N 2.95Å
116	L	62	Low	59.2	Low	133 Å²	133	104.3 Å²	104.3	70%	0.696	55%	0.554	S	S	*	*	S	Bend	trans	-96.3	-8.9	179.7	-56.7	176.2	0	0	0	113.1	K111 L114	K111-L116 HydrophobicContact CB-CB 4.15Å; K111-L116 HydrophobicContact CG-CB 4.46Å; K111-L116 WeakPolarHBondContact O-CA 3.27Å; K111-L116 PolarHBondContact O-N 3.31Å; L114-L116 VanDerWaalsContact C-N 3.3Å; L114-L116 HydrophobicContact CB-CD1 4.01Å; L114-L116 HydrophobicContact CB-CG 3.98Å; L114-L116 HydrophobicContact CD1-CD1 4.35Å; L114-L116 PolarHBondContact O-N 2.92Å
117	K	64.1	Low	56.8	Low	77 Å²	77	107.5 Å²	107.5	34%	0.335	58%	0.577	S	S	.	*	S	Bend	trans	-144.5	138.2	178.8	-176.1	179.8	179.8	-174.5	0	107.7	D100 D108 K111 V112	D100-K117 VanDerWaalsContact OD2-CE 3.25Å; D100-K117 WeakPolarHBondContact OD2-CE 3.36Å; D100-K117 IonicContact OD2-NZ 2.59Å; D100-K117 PolarHBondContact OD2-NZ 3.5Å; D108-K117 HydrophobicContact CB-CD 4.44Å; D108-K117 IonicContact OD2-NZ 2.7Å; D108-K117 PolarHBondContact OD2-NZ 2.85Å; K111-K117 HydrophobicContact CB-CB 3.87Å; K111-K117 PolarHBondContact O-N 2.9Å; V112-K117 HydrophobicContact CG2-CB 4.01Å; V112-K117 HydrophobicContact CG2-CD 4.01Å; V112-K117 HydrophobicContact CG2-CG 4.07Å
118	E	57.5	Low	54.8	Low	186 Å²	186	108.5 Å²	108.5	87%	0.869	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-77.4	145.3	177	-69.4	-169.4	162.1	0	0	111.4
119	R	48.7	Very low	52.5	Low	150 Å²	150	115 Å²	115	57%	0.566	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-78.5	138.6	-178	-169.5	173.2	-163.6	-152.5	2.4	111.4	A99 V112 T121	A99-R119 WeakPolarHBondContact O-CG 3.32Å; A99-R119 PolarHBondContact O-NE 3.35Å; V112-R119 HydrophobicContact CG1-CB 4.01Å; V112-R119 HydrophobicContact CG1-CG 4.25Å; R119-T121 PolarHBondContact O-N 3.44Å
120	S	50.1	Low	49.9	Very low	89 Å²	89	124 Å²	124	62%	0.622	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-70.7	127	171.9	76.6	0	0	0	0	110.6	D100	D100-S120 PolarHBondContact O-OG 2.95Å; D100-S120 VanDerWaalsContact O-OG 3.07Å
121	T	33	Very low	47.7	Very low	134 Å²	134	127.1 Å²	127.1	82%	0.822	68%	0.683	S	S	*	*			trans	-113.8	111.3	-169.4	57.5	0	0	0	0	114.7	R119	R119-T121 PolarHBondContact O-N 3.44Å
122	S	34.3	Very low	45.5	Very low	126 Å²	126	133.1 Å²	133.1	88%	0.881	71%	0.712	S	S	*	*			trans	-152.8	120.7	145.5	64.1	0	0	0	0	110.1
123	E	37	Very low	43	Very low	140 Å²	140	138.5 Å²	138.5	65%	0.654	75%	0.745	S	S	*	*			trans	-127.2	159.7	-169.5	-168.8	-166.6	-113	0	0	111.3
124	R	32.2	Very low	40.9	Very low	208 Å²	208	142.8 Å²	142.8	79%	0.785	76%	0.762	S	S	*	*			trans	108.3	137.8	151.7	-65.4	-166.4	-178.4	-158.6	-8.6	119
125	T	26.9	Very low	38.4	Very low	122 Å²	122	141.4 Å²	141.4	75%	0.748	77%	0.769	S	S	*	*			cis	-159.8	167.2	-30.2	-5.6	0	0	0	0	109.6
126	F	32.8	Very low	36.7	Very low	196 Å²	196	147.2 Å²	147.2	86%	0.86	78%	0.779	S	S	*	*			trans	-79.2	170.1	-179.6	-56.6	-88.3	0	0	0	114.8
127	P	33.3	Very low	35	Very low	124 Å²	124	149.1 Å²	149.1	81%	0.805	79%	0.789	S	S	*	*				-133.4	174.7	98.4	38.3	-27.7	0	0	0	114.5
128	P	38.4	Very low	33.2	Very low	117 Å²	117	153.9 Å²	153.9	76%	0.76	81%	0.812	S	S	*	*			trans	-116.8	164	-161.9	41.6	-32.4	0	0	0	116.9
129	E	27.5	Very low	31.8	Very low	183 Å²	183	152.9 Å²	152.9	86%	0.855	81%	0.807	S	S	*	*			trans	-127.4	118.6	150.2	-81.8	176.4	138.5	0	0	105.8
130	E	27.9	Very low	30.8	Very low	189 Å²	189	153.5 Å²	153.5	88%	0.883	82%	0.816	S	S	*	*				76.3	137.9	84.4	-71.5	-162.7	179.4	0	0	113.8
131	A	30.4	Very low	29.7	Very low	102 Å²	102	153.6 Å²	153.6	84%	0.843	82%	0.823	S	S	*	*			trans	-133.7	118.4	-167.5	0	0	0	0	0	110.5
132	E	30.3	Very low	29.9	Very low	199 Å²	199	152.8 Å²	152.8	93%	0.93	82%	0.82	S	S	*	*			trans	-116	154.5	173.6	-70.6	-147.5	131.8	0	0	113
133	T	25	Very low	29.6	Very low	134 Å²	134	156 Å²	156	82%	0.822	82%	0.821	S	S	*	*			trans	-77.2	157.8	-163.2	43.9	0	0	0	0	114.7
134	Q	27.1	Very low	29.1	Very low	196 Å²	196	153.1 Å²	153.1	92%	0.916	83%	0.828	S	S	*	*			trans	-55.3	142.2	161.7	-60.6	166.9	-74.3	0	0	111.2
135	A	26.6	Very low	28.8	Very low	99 Å²	99	147.7 Å²	147.7	82%	0.818	83%	0.828	S	S	*	*			trans	-132.6	134.2	156.2	0	0	0	0	0	108.2
136	E	26.7	Very low	28.8	Very low	188 Å²	188	151 Å²	151	88%	0.879	84%	0.835	S	S	*	*			trans	-74.9	152.9	175.7	-60.8	161.4	120.5	0	0	110.4
137	L	26	Very low	28.5	Very low	173 Å²	173	146.1 Å²	146.1	91%	0.906	83%	0.831	S	S	*	*			trans	-166.9	132.1	130.3	-106.3	165	0	0	0	110.9
138	E	26.3	Very low	28.3	Very low	177 Å²	177	148 Å²	148	83%	0.827	83%	0.829	S	S	*	*			trans	-79.6	142.7	163.1	-56.4	174.1	114.3	0	0	108.9
139	E	28.5	Very low	27.8	Very low	164 Å²	164	148.9 Å²	148.9	77%	0.766	83%	0.827	S	S	*	*				-173.6	132.6	117.6	-102	-169.7	144.9	0	0	113.9
140	Q	27.6	Very low	27.9	Very low	163 Å²	163	146 Å²	146	76%	0.762	82%	0.822	S	S	*	*			trans	32.2	122.7	134.7	-60.5	174.9	63.6	0	0	120.6
141	A	26.5	Very low	27.8	Very low	92 Å²	92	144.8 Å²	144.8	76%	0.76	82%	0.816	S	S	*	*			trans	-71.2	165.2	152.9	0	0	0	0	0	111.1
142	P	37.5	Very low	27.7	Very low	116 Å²	116	147 Å²	147	75%	0.753	81%	0.814	S	S	*	*				-143.6	157.7	96.9	38.8	-25.5	0	0	0	116.9
143	E	26.6	Very low	27.6	Very low	195 Å²	195	146.4 Å²	146.4	91%	0.911	81%	0.811	S	S	*	*			trans	9.9	136.1	144.1	-52.1	178.3	146.2	0	0	120.8
144	G	26.2	Very low	27.7	Very low	78 Å²	78	146.9 Å²	146.9	80%	0.804	81%	0.813	S	S	*	*			trans	176.9	86.7	165.5	0	0	0	0	0	117.9
145	A	27.7	Very low	27.7	Very low	95 Å²	95	145.3 Å²	145.3	79%	0.785	80%	0.803	S	S	*	*			trans	44.6	108.2	151.3	0	0	0	0	0	122.3
146	E	25.8	Very low	27.9	Very low	192 Å²	192	147 Å²	147	90%	0.897	80%	0.795	S	S	*	*				47.9	151.6	122.2	-59.7	-168.8	139.3	0	0	124.7
147	A	27.3	Very low	27.8	Very low	93 Å²	93	147.6 Å²	147.6	77%	0.769	80%	0.797	S	S	*	*			trans	74.5	146.4	159.8	0	0	0	0	0	119.4
148	Q	28.6	Very low	27.8	Very low	164 Å²	164	146.7 Å²	146.7	77%	0.766	79%	0.792	S	S	*	*			cis	-174	136.6	-35.1	-121.5	179.3	19.6	0	0	109.5
149	N	27.5	Very low	27.7	Very low	134 Å²	134	146.5 Å²	146.5	72%	0.717	79%	0.791	S	S	*	*			trans	65.2	168.7	150.4	-56.5	-24.7	0	0	0	121.8
150	V	29	Very low	27.5	Very low	122 Å²	122	143.4 Å²	143.4	74%	0.739	79%	0.787	S	S	*	*			trans	70.3	100.5	174.6	-164.1	0	0	0	0	113.9
151	E	27.3	Very low	27.4	Very low	165 Å²	165	142.7 Å²	142.7	77%	0.771	79%	0.788	S	S	*	*				88.1	124.3	51.1	-66.3	178.4	141.7	0	0	115.1
152	D	28	Very low	27.3	Very low	149 Å²	149	146.6 Å²	146.6	80%	0.797	80%	0.795	S	S	*	*			trans	74.6	147.5	145.3	-72.9	-4.6	0	0	0	125.4
153	E	26.9	Very low	26.8	Very low	186 Å²	186	150 Å²	150	87%	0.869	80%	0.801	S	S	*	*			trans	52.5	128	167.5	-62.3	-168.7	142.3	0	0	118.5
154	V	28	Very low	26.9	Very low	143 Å²	143	149.7 Å²	149.7	87%	0.867	80%	0.799	S	S	*	*				-143.4	148.2	70.4	164.9	0	0	0	0	112.2
155	K	28.1	Very low	26.8	Very low	163 Å²	163	150.7 Å²	150.7	71%	0.709	79%	0.794	S	S	*	*			trans	-127.3	134.3	169	-159.7	168.6	-175.1	-71.8	0	110.4
156	E	28.9	Very low	26.7	Very low	136 Å²	136	151.4 Å²	151.4	64%	0.636	79%	0.789	S	S	*	*			trans	52.9	111.5	164.7	-74.5	159.1	-142	0	0	119.7
157	Q	25.7	Very low	26.8	Very low	200 Å²	200	150.3 Å²	150.3	94%	0.935	78%	0.783	S	S	*	*			trans	-127.7	110.2	135	-83.4	-166.2	-9.9	0	0	110.4
158	I	25.8	Very low	26.9	Very low	153 Å²	153	151.2 Å²	151.2	79%	0.785	78%	0.779	S	S	*	*			trans	-98.5	113.6	163.5	-61.8	172	0	0	0	106.8
159	Q	24.9	Very low	26.9	Very low	174 Å²	174	149.6 Å²	149.6	81%	0.813	78%	0.776	S	S	*	*			trans	-169.9	141.8	131.9	-116	-180	-2.6	0	0	116.8
160	S	23.8	Very low	27.1	Very low	99 Å²	99	150.4 Å²	150.4	69%	0.692	78%	0.775	S	S	*	*			trans	86.6	159.9	137.9	80	0	0	0	0	120.6
161	L	26	Very low	27	Very low	148 Å²	148	150.3 Å²	150.3	78%	0.775	77%	0.77	S	S	*	*			trans	70.8	89.2	173.2	-56.6	169.1	0	0	0	114.3
162	L	24.4	Very low	27.2	Very low	174 Å²	174	148.9 Å²	148.9	91%	0.911	77%	0.768	S	S	*	*				81.7	150.5	65.2	-77.2	163.8	0	0	0	114.7
163	Q	26.2	Very low	27.3	Very low	186 Å²	186	150.4 Å²	150.4	87%	0.869	77%	0.77	S	S	*	*			trans	-131.2	113.9	-157.5	172.7	-173	0.4	0	0	110
164	E	28	Very low	27.5	Very low	189 Å²	189	145.4 Å²	145.4	88%	0.883	76%	0.76	S	S	*	*			trans	-158.8	149.3	167.1	-95	-176.6	164.9	0	0	106.3
165	S	25.2	Very low	27.6	Very low	100 Å²	100	146.7 Å²	146.7	70%	0.699	76%	0.762	S	S	*	*			cis	-153.9	172.4	-4.5	40.8	0	0	0	0	107.1
166	V	25.6	Very low	27.5	Very low	110 Å²	110	142.2 Å²	142.2	67%	0.667	76%	0.762	S	S	*	*				179.1	121.4	70.3	162.4	0	0	0	0	109.6
167	H	28.6	Very low	28.4	Very low	169 Å²	169	141.9 Å²	141.9	78%	0.782	77%	0.771	S	S	*	*			trans	59.8	159.4	146.3	-66.9	29.3	0	0	0	119.4
168	T	27.8	Very low	28.7	Very low	112 Å²	112	137.4 Å²	137.4	69%	0.687	77%	0.769	S	S	*	*			cis	-175.3	154.6	-6.1	27.2	0	0	0	0	106.7
169	D	30.3	Very low	28.7	Very low	129 Å²	129	134 Å²	134	69%	0.69	77%	0.772	S	S	*	*			cis	-171.1	179.5	-16.4	-143	-80.3	0	0	0	110.1
170	H	29.8	Very low	29	Very low	151 Å²	151	135 Å²	135	70%	0.699	78%	0.776	S	S	*	*			trans	67.1	148.6	167	-67.6	26.9	0	0	0	117.7
171	D	28	Very low	29.8	Very low	120 Å²	120	135.1 Å²	135.1	64%	0.642	78%	0.775	S	S	*	*			cis	-157.5	155	1.9	-122	-26.8	0	0	0	112.9
172	L	30.6	Very low	29.8	Very low	136 Å²	136	137 Å²	137	71%	0.712	78%	0.78	S	S	*	*			trans	52.1	118.3	155.3	-56.2	175.6	0	0	0	120.8
173	E	30.5	Very low	30.2	Very low	181 Å²	181	133.8 Å²	133.8	85%	0.846	77%	0.772	S	S	*	*				67.8	137.7	83	-76.7	-165.1	-165.2	0	0	116.4
174	A	31.1	Very low	30.4	Very low	80 Å²	80	133.7 Å²	133.7	66%	0.661	77%	0.771	S	S	*	*			cis	-165.2	166.4	-8.6	0	0	0	0	0	112.5
175	D	30.5	Very low	30.4	Very low	171 Å²	171	130 Å²	130	91%	0.914	76%	0.761	S	S	*	*			trans	57.5	158.3	161.4	-81	-26.8	0	0	0	123.1
176	G	25.9	Very low	30.5	Very low	68 Å²	68	134 Å²	134	70%	0.701	77%	0.769	S	S	*	*			trans	-122	-142.2	169.7	0	0	0	0	0	110.8
177	P	48.3	Very low	30.7	Very low	129 Å²	129	135.6 Å²	135.6	84%	0.838	77%	0.774	S	S	*	*			cis	-131.5	-176.4	-12.8	42.5	-26.4	0	0	0	113.9
178	A	30.6	Very low	30.6	Very low	107 Å²	107	135.1 Å²	135.1	88%	0.884	77%	0.77	S	S	*	*			trans	37.1	123.9	152.4	0	0	0	0	0	122.4
179	G	27.1	Very low	30.6	Very low	82 Å²	82	135.7 Å²	135.7	85%	0.845	77%	0.768	S	S	*	*			trans	-179.8	131.9	160.1	0	0	0	0	0	115.6
180	E	30.5	Very low	30.4	Very low	194 Å²	194	136 Å²	136	91%	0.907	78%	0.775	S	S	*	*			trans	-92.2	178.7	154.3	-48.8	-175.2	142	0	0	108.4
181	P	41.7	Very low	30.3	Very low	102 Å²	102	132.6 Å²	132.6	66%	0.662	77%	0.773	S	S	*	*			cis	-140.9	-163.3	1.9	43.8	-24.3	0	0	0	115.3
182	Q	24.6	Very low	30.3	Very low	188 Å²	188	133 Å²	133	88%	0.879	78%	0.78	S	S	*	*			trans	79.8	176	149.6	-82.4	178.1	-16.2	0	0	121.2
183	S	32.8	Very low	30.3	Very low	105 Å²	105	133.8 Å²	133.8	73%	0.734	78%	0.784	S	S	*	*			trans	-141.4	145.7	-147.5	56.8	0	0	0	0	114.2
184	E	30	Very low	30.4	Very low	185 Å²	185	130.8 Å²	130.8	86%	0.864	78%	0.784	S	S	*	*			trans	-155.7	152.4	172.3	-73	-158.7	105.3	0	0	109.4
185	V	29.1	Very low	30.3	Very low	111 Å²	111	133.9 Å²	133.9	67%	0.673	79%	0.789	S	S	*	*			cis	-160.4	177.7	-19.6	-89.7	0	0	0	0	108.9
186	E	27.8	Very low	30.3	Very low	185 Å²	185	131.7 Å²	131.7	86%	0.864	78%	0.777	S	S	*	*			trans	74.6	154.2	161.7	-62.5	-174.3	176.1	0	0	120.9
187	D	30.2	Very low	30.5	Very low	142 Å²	142	134.8 Å²	134.8	76%	0.759	77%	0.768	S	S	*	*			cis	-166	174.5	-43.4	-161.7	10.3	0	0	0	110.5
188	F	24.8	Very low	29.5	Very low	159 Å²	159	137 Å²	137	70%	0.697	77%	0.765	S	S	*	*			trans	95.5	81.5	142.3	-138.6	-99.6	0	0	0	122.9
189	L	27.8	Very low	29.3	Very low	124 Å²	124	139.7 Å²	139.7	65%	0.649	76%	0.759	S	S	*	*			trans	73.6	147.1	130.8	-59.9	-166.7	0	0	0	125.7
190	T	27.4	Very low	29.6	Very low	136 Å²	136	140 Å²	140	83%	0.834	75%	0.754	S	S	*	*			trans	82.4	142.7	157.9	69.6	0	0	0	0	119.8
191	A	26.9	Very low	29.4	Very low	80 Å²	80	139 Å²	139	66%	0.661	75%	0.753	S	S	*	*			cis	-170.8	159.3	-25.2	0	0	0	0	0	110.8
192	T	28.5	Very low	28.9	Very low	129 Å²	129	142.3 Å²	142.3	79%	0.791	76%	0.76	S	S	*	*			trans	64.1	128.1	172.3	61.1	0	0	0	0	116.6
193	D	29.6	Very low	29.9	Very low	151 Å²	151	138.9 Å²	138.9	81%	0.807	75%	0.754	S	S	*	*			cis	97.5	102.3	29.2	-72.7	-29.5	0	0	0	115.5
194	S	32.3	Very low	29.5	Very low	119 Å²	119	137.4 Å²	137.4	83%	0.832	76%	0.755	S	S	*	*			trans	168	100.1	133.5	39.8	0	0	0	0	107.7
195	D	30.4	Very low	29.3	Very low	144 Å²	144	135 Å²	135	77%	0.77	75%	0.754	S	S	*	*				78.2	99.5	51.7	-163.9	29	0	0	0	113.9
196	D	30.2	Very low	29.1	Very low	125 Å²	125	135 Å²	135	67%	0.668	75%	0.753	S	S	*	*			trans	-155.4	163.8	146.3	-163	78.1	0	0	0	107.6
197	R	28.8	Very low	29.1	Very low	133 Å²	133	132.7 Å²	132.7	50%	0.502	74%	0.743	S	S	.	*			trans	-157.4	158.3	-166.3	84.8	-66.6	80.4	-133.3	-17.9	116.5
198	F	27.6	Very low	29.2	Very low	177 Å²	177	135.2 Å²	135.2	78%	0.776	75%	0.75	S	S	*	*			trans	68.4	163.1	168.7	-79.2	-142.5	0	0	0	114
199	E	26	Very low	29.5	Very low	162 Å²	162	132 Å²	132	76%	0.757	74%	0.74	S	S	*	*			cis	-146.2	176.8	0.1	-144.2	159.2	-167	0	0	110.2
200	A	35.4	Very low	29.7	Very low	90 Å²	90	131 Å²	131	74%	0.744	74%	0.739	S	S	*	*			trans	-96.6	147.8	166.4	0	0	0	0	0	110.8
201	L	25.1	Very low	30.1	Very low	171 Å²	171	132.3 Å²	132.3	90%	0.895	74%	0.736	S	S	*	*			trans	-170.7	124.4	157.7	-104.9	166.4	0	0	0	112.3
202	E	31.9	Very low	30.3	Very low	173 Å²	173	133.9 Å²	133.9	81%	0.808	73%	0.733	S	S	*	*			trans	-93.2	-179.3	150.5	-86.8	-165.3	173.2	0	0	109
203	P	44.2	Very low	30.4	Very low	115 Å²	115	131.7 Å²	131.7	75%	0.747	72%	0.723	S	S	*	*			cis	-131.7	175.2	-9.2	19.1	5.8	0	0	0	114.9
204	G	24.7	Very low	30.3	Very low	74 Å²	74	134 Å²	134	76%	0.763	72%	0.722	S	S	*	*			trans	79.6	172.8	157.4	0	0	0	0	0	116.8
205	T	26.2	Very low	30.1	Very low	136 Å²	136	137 Å²	137	83%	0.834	72%	0.722	S	S	*	*			cis	-155.4	171.6	1.6	64.8	0	0	0	0	108.1
206	V	25.4	Very low	29.9	Very low	109 Å²	109	137 Å²	137	66%	0.661	73%	0.727	S	S	*	*			cis	-163.7	147.9	-0.8	100	0	0	0	0	111.5
207	H	28.6	Very low	29.7	Very low	138 Å²	138	139.1 Å²	139.1	64%	0.639	73%	0.733	S	S	*	*			trans	52.2	171.7	159.1	-62.9	-60.5	0	0	0	119.9	D209	H207-D209 IonicContact CE1-OD1 3.78Å; H207-D209 IonicContact CG-OD1 3.56Å; H207-D209 VanDerWaalsContact ND1-CG 3.33Å; H207-D209 IonicContact ND1-OD1 2.73Å; H207-D209 PolarHBondContact ND1-OD1 2.86Å; H207-D209 IonicContact ND1-OD2 3.59Å
208	E	31.8	Very low	29.6	Very low	195 Å²	195	141.3 Å²	141.3	91%	0.911	75%	0.749	S	S	*	*			cis	-159.2	151.4	25.3	-178.6	-175.5	-85.5	0	0	113.2
209	D	30.2	Very low	29.3	Very low	92 Å²	92	139.9 Å²	139.9	49%	0.492	76%	0.755	S	S	.	*				-165.6	143.2	-52.2	-122.6	63.7	0	0	0	113.8	H207	H207-D209 IonicContact CE1-OD1 3.78Å; H207-D209 IonicContact CG-OD1 3.56Å; H207-D209 VanDerWaalsContact ND1-CG 3.33Å; H207-D209 IonicContact ND1-OD1 2.73Å; H207-D209 PolarHBondContact ND1-OD1 2.86Å; H207-D209 IonicContact ND1-OD2 3.59Å
210	T	32.3	Very low	29.3	Very low	102 Å²	102	137 Å²	137	63%	0.626	76%	0.759	S	S	*	*			trans	38.1	176.3	136.4	57.5	0	0	0	0	123.5
211	E	35.2	Very low	28.8	Very low	164 Å²	164	138.3 Å²	138.3	77%	0.766	76%	0.762	S	S	*	*			cis	-126.2	-127.2	-10.6	-156.4	69.4	-77.1	0	0	111
212	D	31.9	Very low	28.9	Very low	113 Å²	113	138.7 Å²	138.7	60%	0.604	76%	0.759	S	S	*	*			cis	-155.3	107.8	5.8	177.7	25.9	0	0	0	106.8	Y214	D212-Y214 WeakPolarHBondContact OD1-CE2 3.28Å
213	S	31.7	Very low	28.6	Very low	83 Å²	83	138.5 Å²	138.5	58%	0.58	76%	0.764	S	S	*	*				65.7	151	91.1	115.1	0	0	0	0	116.2
214	Y	27.1	Very low	27.6	Very low	200 Å²	200	141.4 Å²	141.4	78%	0.784	77%	0.767	S	S	*	*				-144.2	164	55.7	-90.9	-94.6	0	0	0	115.8	D212	D212-Y214 WeakPolarHBondContact OD1-CE2 3.28Å
215	H	26.8	Very low	28.7	Very low	180 Å²	180	142.2 Å²	142.2	83%	0.833	76%	0.759	S	S	*	*			trans	-121.6	174.7	168.9	-109.1	-96.5	0	0	0	110.6
216	V	26.8	Very low	28.6	Very low	144 Å²	144	141.6 Å²	141.6	87%	0.873	75%	0.751	S	S	*	*			trans	173	161.3	130.4	150.4	0	0	0	0	111.9
217	E	25.6	Very low	28.6	Very low	170 Å²	170	143.1 Å²	143.1	79%	0.794	76%	0.755	S	S	*	*			trans	-103.8	157.7	-159.2	-60.3	171.3	130.2	0	0	116.5
218	E	27.3	Very low	28.5	Very low	180 Å²	180	140.1 Å²	140.1	84%	0.841	76%	0.755	S	S	*	*				48.3	134	128.2	-162.5	174.9	-112.1	0	0	123.1
219	T	22.1	Very low	28.5	Very low	147 Å²	147	140 Å²	140	90%	0.902	75%	0.754	S	S	*	*			trans	-165.8	155.2	136.9	4.5	0	0	0	0	110.9
220	A	26.1	Very low	28.4	Very low	101 Å²	101	142.4 Å²	142.4	84%	0.835	76%	0.762	S	S	*	*			trans	-123.7	152.3	-179.4	0	0	0	0	0	112.7
221	S	24.6	Very low	28.2	Very low	117 Å²	117	143.3 Å²	143.3	82%	0.818	77%	0.767	S	S	*	*			trans	-157.3	146.5	158.7	-166.5	0	0	0	0	111.9
222	Q	26.7	Very low	27.8	Very low	179 Å²	179	142.7 Å²	142.7	84%	0.836	77%	0.766	S	S	*	*			trans	-88.7	155.1	166.7	-63.9	173.6	-35.3	0	0	110
223	N	25.6	Very low	27.7	Very low	169 Å²	169	142 Å²	142	90%	0.904	77%	0.77	S	S	*	*			trans	-166.6	154.2	141.7	-99.7	-29.3	0	0	0	112.5
224	H	22.3	Very low	27.5	Very low	177 Å²	177	146.4 Å²	146.4	82%	0.819	78%	0.782	S	S	*	*			trans	-134.6	177.5	178.8	-126.9	-1.8	0	0	0	105.7
225	P	47.8	Very low	27.8	Very low	90 Å²	90	144.5 Å²	144.5	58%	0.584	78%	0.78	S	S	*	*			cis	-138	-157.4	-21.1	40.8	-21.3	0	0	0	112.4
226	N	25.4	Very low	28	Very low	124 Å²	124	143.6 Å²	143.6	66%	0.663	78%	0.776	S	S	*	*			trans	74.5	134.2	149.9	-79.2	48.2	0	0	0	123.1
227	D	25.6	Very low	27.9	Very low	140 Å²	140	141.4 Å²	141.4	75%	0.749	77%	0.767	S	S	*	*			trans	58.2	152.3	132.4	-51.6	-12.7	0	0	0	122.1
228	A	26.7	Very low	28.1	Very low	76 Å²	76	138.7 Å²	138.7	63%	0.628	77%	0.767	S	S	*	*			cis	-172.4	167.3	-24.4	0	0	0	0	0	108.8
229	E	30	Very low	28.3	Very low	193 Å²	193	136.8 Å²	136.8	90%	0.902	76%	0.763	S	S	*	*			trans	63.3	154.1	167.7	-63.4	173.3	-178	0	0	116
230	E	29.6	Very low	28.7	Very low	142 Å²	142	138 Å²	138	66%	0.664	76%	0.758	S	S	*	*			cis	-139.4	-154.1	-15	-141.4	-136.8	119.9	0	0	106.2	M232	E230-M232 PolarHBondContact OE1-N 3.38Å
231	V	27.4	Very low	28.9	Very low	121 Å²	121	136.7 Å²	136.7	73%	0.733	75%	0.754	S	S	*	*			cis	-140.7	158.4	11.9	-174.7	0	0	0	0	111.4
232	M	27.7	Very low	29.2	Very low	151 Å²	151	141 Å²	141	74%	0.744	76%	0.761	S	S	*	*			trans	-42.1	167.3	162.2	-62	152.8	53	0	0	117.5	E230	E230-M232 PolarHBondContact OE1-N 3.38Å
233	S	28.3	Very low	29.3	Very low	99 Å²	99	137 Å²	137	69%	0.692	76%	0.759	S	S	*	*			cis	-147.4	-169.4	4.9	39.8	0	0	0	0	109.3
234	E	28.1	Very low	29.5	Very low	174 Å²	174	135.9 Å²	135.9	81%	0.813	76%	0.758	S	S	*	*			cis	-137.9	168.2	16.3	-65.2	176.9	127.8	0	0	109.3
235	Q	32.8	Very low	29.8	Very low	161 Å²	161	133.2 Å²	133.2	75%	0.752	75%	0.754	S	S	*	*			cis	69.8	134.9	41.5	-94.2	-176.9	-91.2	0	0	114.2
236	E	31.9	Very low	28.9	Very low	161 Å²	161	136.5 Å²	136.5	75%	0.752	77%	0.767	S	S	*	*			cis	-132.2	179.8	3.3	-59.7	-152.9	123.6	0	0	111.3
237	S	25.1	Very low	29.1	Very low	98 Å²	98	137.9 Å²	137.9	69%	0.685	77%	0.774	S	S	*	*			cis	-163.1	150.4	26.4	59.9	0	0	0	0	116.5
238	S	28.6	Very low	29.2	Very low	112 Å²	112	134.2 Å²	134.2	78%	0.783	77%	0.769	S	S	*	*			trans	52.6	124.2	154.4	62.2	0	0	0	0	120.6
239	D	31.3	Very low	29.3	Very low	141 Å²	141	137.9 Å²	137.9	75%	0.754	78%	0.777	S	S	*	*			cis	104.8	150.3	11.4	-161.3	31.3	0	0	0	117.4
240	H	31.5	Very low	29.3	Very low	173 Å²	173	135.9 Å²	135.9	80%	0.801	77%	0.768	S	S	*	*			trans	80.3	138	-179.5	-55.7	-3.7	0	0	0	117.6
241	G	29.7	Very low	29.2	Very low	73 Å²	73	137 Å²	137	75%	0.753	77%	0.773	S	S	*	*			cis	173	130.8	-10.3	0	0	0	0	0	116.3
242	E	30.3	Very low	29.3	Very low	208 Å²	208	139 Å²	139	97%	0.972	77%	0.774	S	S	*	*			trans	52.9	176.8	156.7	-59.4	-158.8	130.4	0	0	122.5
243	A	30.1	Very low	29.2	Very low	95 Å²	95	136.1 Å²	136.1	79%	0.785	77%	0.774	S	S	*	*			trans	-128.9	173.9	-160.1	0	0	0	0	0	113.6
244	V	28.7	Very low	29.3	Very low	145 Å²	145	141.1 Å²	141.1	88%	0.879	79%	0.787	S	S	*	*			trans	-178.1	177.2	149.1	139.6	0	0	0	0	111.3
245	T	28.5	Very low	29.2	Very low	121 Å²	121	141.7 Å²	141.7	74%	0.742	79%	0.789	S	S	*	*			trans	-110.3	143.4	-155.7	52.7	0	0	0	0	117.8
246	D	29.2	Very low	28.9	Very low	159 Å²	159	141.2 Å²	141.2	85%	0.85	80%	0.797	S	S	*	*			trans	70	148.2	132	-150.4	23.3	0	0	0	124.6
247	D	30.1	Very low	28.5	Very low	152 Å²	152	143.1 Å²	143.1	81%	0.813	80%	0.797	S	S	*	*			trans	65.5	147.3	162.6	-150.1	11.4	0	0	0	122.8
248	G	27.4	Very low	28.6	Very low	63 Å²	63	144.5 Å²	144.5	65%	0.649	79%	0.793	S	S	*	*			trans	120.7	71.5	155.1	0	0	0	0	0	121.9
249	L	28.6	Very low	28.4	Very low	153 Å²	153	146.2 Å²	146.2	80%	0.801	79%	0.788	S	S	*	*			trans	8.8	145.9	138.9	-68.7	172.6	0	0	0	120.8
250	Q	29.9	Very low	28.1	Very low	151 Å²	151	145.8 Å²	145.8	71%	0.706	79%	0.786	S	S	*	*			cis	-176.6	175	5.7	-178.8	170.4	18.2	0	0	111.4
251	Q	28.7	Very low	27.8	Very low	166 Å²	166	146.9 Å²	146.9	78%	0.776	79%	0.785	S	S	*	*			trans	86.2	137.4	168.8	-50.1	-171.1	20.7	0	0	117.1
252	H	28.9	Very low	27.6	Very low	163 Å²	163	150.5 Å²	150.5	76%	0.755	79%	0.787	S	S	*	*			cis	-158.6	142.1	-16.7	-122.1	-62	0	0	0	111.2
253	A	26.5	Very low	27.7	Very low	90 Å²	90	148.6 Å²	148.6	74%	0.744	78%	0.778	S	S	*	*			trans	49.6	107.8	156.2	0	0	0	0	0	121
254	E	28.9	Very low	27.8	Very low	205 Å²	205	150 Å²	150	96%	0.958	78%	0.779	S	S	*	*				-155.3	160.1	100.7	-106.5	178.2	-163.3	0	0	109.4
255	E	27.1	Very low	27.6	Very low	185 Å²	185	148.4 Å²	148.4	86%	0.864	77%	0.769	S	S	*	*			trans	-139.2	119.3	-149.6	177.8	178	-158.7	0	0	114.5
256	V	26.6	Very low	27.5	Very low	151 Å²	151	153.4 Å²	153.4	92%	0.915	78%	0.776	S	S	*	*			trans	-153.3	118.3	159.6	-176.3	0	0	0	0	110.1
257	R	23.7	Very low	27.2	Very low	201 Å²	201	153.3 Å²	153.3	76%	0.758	77%	0.771	S	S	*	*			trans	-163.1	122.7	165	-173.3	168.8	-171.5	151.2	7.4	115.1
258	H	27.1	Very low	27.3	Very low	128 Å²	128	151.1 Å²	151.1	59%	0.593	77%	0.765	S	S	*	*			trans	57.3	171.4	160	-57.7	-14.2	0	0	0	116.3
259	E	23.9	Very low	27.2	Very low	147 Å²	147	153.9 Å²	153.9	69%	0.687	77%	0.774	S	S	*	*			cis	-152.3	159.5	-0.3	-139.3	140.1	-125.3	0	0	110.4
260	D	24.9	Very low	27.1	Very low	132 Å²	132	154.3 Å²	154.3	71%	0.706	77%	0.772	S	S	*	*			trans	59.2	171	155.6	-70.1	-8.3	0	0	0	124.3
261	Y	24.5	Very low	27	Very low	197 Å²	197	153.2 Å²	153.2	77%	0.773	77%	0.771	S	S	*	*			trans	93.6	105.2	162.7	-66.7	-82.3	0	0	0	122.2
262	D	25.3	Very low	26.8	Very low	148 Å²	148	155.1 Å²	155.1	79%	0.791	78%	0.78	S	S	*	*				63.3	174.1	122.9	-66.6	-0.1	0	0	0	123.7
263	E	32.9	Very low	26.5	Very low	168 Å²	168	156 Å²	156	79%	0.785	78%	0.777	S	S	*	*			trans	-63.8	169.9	-169.5	-55.8	-174.3	133.8	0	0	114.8
264	P	32.4	Very low	26.5	Very low	126 Å²	126	159.8 Å²	159.8	82%	0.818	78%	0.782	S	S	*	*				-135	135.6	116.4	36.5	-28.5	0	0	0	115.8
265	V	24.8	Very low	26.2	Very low	111 Å²	111	156 Å²	156	67%	0.673	77%	0.765	S	S	*	*			trans	-65.7	147.7	150.7	174.6	0	0	0	0	109.6
266	Y	25.1	Very low	26.2	Very low	225 Å²	225	154.8 Å²	154.8	88%	0.882	76%	0.763	S	S	*	*			trans	-141.1	143.9	159	-162.6	-106.1	0	0	0	112.3
267	E	23.3	Very low	26.1	Very low	157 Å²	157	152.3 Å²	152.3	73%	0.734	75%	0.752	S	S	*	*			trans	-110.2	178.2	-170.5	-111.2	-166.6	161.6	0	0	111.9
268	P	32.2	Very low	26.2	Very low	107 Å²	107	149.9 Å²	149.9	70%	0.695	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-84.3	164.5	-157.5	33.9	-38.6	0	0	0	115.9
269	S	25.4	Very low	26.1	Very low	120 Å²	120	151.6 Å²	151.6	84%	0.839	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-95	119.8	165.6	59.1	0	0	0	0	111.5
270	E	26.7	Very low	26.3	Very low	163 Å²	163	148.9 Å²	148.9	76%	0.762	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-85.8	171.4	175.3	-68.8	-163.7	140.5	0	0	114.6
271	N	27.1	Very low	26.4	Very low	127 Å²	127	151 Å²	151	68%	0.679	78%	0.78	S	S	*	*			trans	81.5	96.9	155	-66	-68.8	0	0	0	118.6
272	E	25.2	Very low	26.4	Very low	206 Å²	206	148.5 Å²	148.5	96%	0.963	78%	0.78	S	S	*	*				-130.1	145	108.9	-138.4	172.4	-146	0	0	109.5
273	R	23.4	Very low	26.4	Very low	183 Å²	183	147.5 Å²	147.5	69%	0.691	77%	0.774	S	S	*	*			trans	-116.4	125.7	-165.9	179	-148.8	-77	-137.5	-1.4	111.8	E275	R273-E275 HydrophobicContact CG-CG 4.5Å; R273-E275 IonicContact CZ-OE1 3.43Å; R273-E275 IonicContact NH1-OE1 2.88Å; R273-E275 PolarHBondContact NH1-OE1 2.82Å
274	I	25.6	Very low	26.2	Very low	168 Å²	168	144 Å²	144	86%	0.862	77%	0.768	S	S	*	*			trans	-134.4	134.1	154	-59.8	-176.5	0	0	0	108.9
275	E	23	Very low	25.9	Very low	126 Å²	126	144.9 Å²	144.9	59%	0.589	77%	0.766	S	S	*	*			trans	-93.4	158.7	179.9	-63.9	158.8	-167.1	0	0	110.8	R273	R273-E275 HydrophobicContact CG-CG 4.5Å; R273-E275 IonicContact CZ-OE1 3.43Å; R273-E275 IonicContact NH1-OE1 2.88Å; R273-E275 PolarHBondContact NH1-OE1 2.82Å
276	I	26.9	Very low	25.9	Very low	160 Å²	160	147.9 Å²	147.9	82%	0.821	78%	0.777	S	S	*	*			trans	179.4	125.2	133	-93.2	153.8	0	0	0	112.4
277	S	24.3	Very low	25.9	Very low	98 Å²	98	143.3 Å²	143.3	69%	0.685	77%	0.766	S	S	*	*			trans	27.6	134.2	159.7	69.6	0	0	0	0	123.2
278	D	25.8	Very low	26.1	Very low	151 Å²	151	141.2 Å²	141.2	81%	0.807	77%	0.769	S	S	*	*			trans	-56.3	152.4	153.9	-45.8	-89.6	0	0	0	113.5
279	N	25.6	Very low	25.8	Very low	164 Å²	164	144.4 Å²	144.4	88%	0.877	77%	0.774	S	S	*	*			trans	-161.2	137.8	131.9	-101.3	-67.3	0	0	0	109.2
280	A	28.2	Very low	25.8	Very low	90 Å²	90	147.8 Å²	147.8	74%	0.744	78%	0.777	S	S	*	*			trans	-87.4	151.1	174.6	0	0	0	0	0	111.3
281	I	27.2	Very low	25.7	Very low	177 Å²	177	147.2 Å²	147.2	91%	0.908	78%	0.778	S	S	*	*			trans	-158.7	159.9	152.3	-106.6	153.5	0	0	0	109
282	D	24.4	Very low	25.5	Very low	144 Å²	144	148.8 Å²	148.8	77%	0.77	79%	0.786	S	S	*	*			trans	-81.7	-170	-166.6	-148.4	-20.4	0	0	0	114.3
283	D	24.4	Very low	25.5	Very low	126 Å²	126	144.9 Å²	144.9	67%	0.674	78%	0.776	S	S	*	*			trans	85.1	90.3	157.1	-86.4	-47.7	0	0	0	120.6
284	S	29.3	Very low	25.5	Very low	94 Å²	94	140.5 Å²	140.5	66%	0.657	78%	0.779	S	S	*	*				38.2	100.2	116.2	73.8	0	0	0	0	118.8
285	N	25.9	Very low	25.4	Very low	145 Å²	145	137.5 Å²	137.5	78%	0.775	77%	0.773	S	S	*	*			trans	-159.5	109	148	-105	-66.5	0	0	0	111.9	I287	N285-I287 HydrophobicContact CB-CG1 4.49Å; N285-I287 PolarHBondContact O-N 3.44Å
286	I	25.4	Very low	25.6	Very low	175 Å²	175	138.6 Å²	138.6	90%	0.897	79%	0.788	S	S	*	*			trans	-85.7	97.6	169.2	-61.8	176.6	0	0	0	107.8
287	I	25	Very low	25.8	Very low	129 Å²	129	139.3 Å²	139.3	66%	0.662	79%	0.787	S	S	*	*			trans	-92.4	131	172.1	-64.3	176.9	0	0	0	108.7	N285 E289	N285-I287 HydrophobicContact CB-CG1 4.49Å; N285-I287 PolarHBondContact O-N 3.44Å; I287-E289 PolarHBondContact O-N 3.5Å
288	S	27.2	Very low	26.1	Very low	113 Å²	113	144 Å²	144	79%	0.79	80%	0.799	S	S	*	*			trans	-76.7	103.1	173.3	-55.8	0	0	0	0	110	E290	S288-E290 PolarHBondContact O-N 2.93Å
289	E	26.4	Very low	26.3	Very low	173 Å²	173	146 Å²	146	81%	0.808	80%	0.803	S	S	*	*			trans	-80.6	115.8	175.4	-65.5	-163.4	133.2	0	0	111.8	I287 I291	I287-E289 PolarHBondContact O-N 3.5Å; E289-I291 PolarHBondContact O-N 2.97Å
290	E	25.1	Very low	26.6	Very low	192 Å²	192	147 Å²	147	90%	0.897	80%	0.802	S	S	*	*			trans	-72.8	108.9	164.9	-66	-174.3	141.8	0	0	109	S288 N292	S288-E290 PolarHBondContact O-N 2.93Å; E290-N292 PolarHBondContact O-N 2.92Å
291	I	23.7	Very low	26.8	Very low	151 Å²	151	150.6 Å²	150.6	77%	0.774	81%	0.809	S	S	*	*			trans	-69.1	106.1	-178.8	-62.4	176.8	0	0	0	110.2	E289 V293	E289-I291 PolarHBondContact O-N 2.97Å; I291-V293 HydrophobicContact CG2-CG2 4.02Å; I291-V293 PolarHBondContact O-N 3.46Å; I291-V293 VanDerWaalsContact O-N 3.12Å
292	N	23.2	Very low	26.9	Very low	160 Å²	160	147.8 Å²	147.8	86%	0.856	80%	0.801	S	S	*	*			trans	-79.1	86.6	-179.6	-174.2	18.2	0	0	0	111.2	E290 A294	E290-N292 PolarHBondContact O-N 2.92Å; N292-A294 PolarHBondContact O-N 3.02Å
293	V	25.7	Very low	27.1	Very low	124 Å²	124	146.3 Å²	146.3	75%	0.752	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-76.2	119.1	-179.6	-176.9	0	0	0	0	111	I291	I291-V293 HydrophobicContact CG2-CG2 4.02Å; I291-V293 PolarHBondContact O-N 3.46Å; I291-V293 VanDerWaalsContact O-N 3.12Å
294	A	23.7	Very low	27.7	Very low	91 Å²	91	145.8 Å²	145.8	75%	0.752	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-69.4	145.7	177.5	0	0	0	0	0	112.7	N292	N292-A294 PolarHBondContact O-N 3.02Å
295	S	23.6	Very low	27.9	Very low	105 Å²	105	147.5 Å²	147.5	73%	0.734	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-75.4	138.7	-176.9	52	0	0	0	0	113.8
296	V	26.9	Very low	28.5	Very low	148 Å²	148	149.6 Å²	149.6	90%	0.897	81%	0.811	S	S	*	*			trans	-113.9	131.5	154.9	-179.2	0	0	0	0	107.4
297	E	30.7	Very low	29.8	Very low	175 Å²	175	150.9 Å²	150.9	82%	0.818	81%	0.81	S	S	*	*			trans	-96.3	124.2	-169.2	-61.4	-179.3	128.7	0	0	112.5
298	E	29.7	Very low	31.4	Very low	198 Å²	198	154.3 Å²	154.3	93%	0.925	82%	0.82	S	S	*	*			trans	-153.7	73.2	149.3	-133.6	177.5	-149.9	0	0	109.9
299	Q	30.6	Very low	33.6	Very low	193 Å²	193	158.1 Å²	158.1	90%	0.902	82%	0.822	S	S	*	*			trans	-94.4	130.2	177.8	-74.4	-168.3	-15.5	0	0	111.8
300	Q	31.8	Very low	36.2	Very low	184 Å²	184	153.2 Å²	153.2	86%	0.86	81%	0.805	S	S	*	*			trans	-73.9	133.7	164.3	-67.2	-175.5	-0.5	0	0	110.1	T302	Q300-T302 PolarHBondContact O-N 2.97Å
301	D	33.6	Very low	39.3	Very low	166 Å²	166	151.9 Å²	151.9	89%	0.888	80%	0.796	S	S	*	*			trans	-58	103.8	-177.2	-106.8	-50.4	0	0	0	112.7
302	T	28.9	Very low	42.5	Very low	118 Å²	118	146.4 Å²	146.4	72%	0.724	77%	0.769	S	S	*	*			trans	-125	121.8	158.5	54.4	0	0	0	0	108.9	Q300	Q300-T302 PolarHBondContact O-N 2.97Å
303	P	29.1	Very low	45.9	Very low	113 Å²	113	140.7 Å²	140.7	73%	0.734	74%	0.738	S	S	*	*			trans	-69.3	128.9	-171.4	25.9	-33.8	0	0	0	110.6	V305	P303-V305 PolarHBondContact O-N 3.03Å
304	P	35.2	Very low	49.2	Very low	115 Å²	115	135.6 Å²	135.6	75%	0.747	71%	0.706	S	S	*	*			trans	-64	114.2	-171.8	22.8	-33.3	0	0	0	111.4	K306	P304-K306 PolarHBondContact O-N 2.99Å
305	V	35.3	Very low	52.5	Low	130 Å²	130	139.4 Å²	139.4	79%	0.788	71%	0.706	S	S	*	*			trans	-62.5	104.6	176.7	179.8	0	0	0	0	108.7	P303 K307	P303-V305 PolarHBondContact O-N 3.03Å; V305-K307 VanDerWaalsContact C-N 3.34Å; V305-K307 PolarHBondContact O-N 3.08Å
306	K	38.1	Very low	55.9	Low	189 Å²	189	138.7 Å²	138.7	82%	0.822	69%	0.69	S	S	*	*			trans	-62.4	89.7	-178	-69.1	179.9	178.8	175.5	0	110.8	P304 K308	P304-K306 PolarHBondContact O-N 2.99Å; K306-K308 PolarHBondContact O-N 2.98Å; K306-K308 VanDerWaalsContact O-N 3.08Å
307	K	52	Low	59.1	Low	201 Å²	201	131.6 Å²	131.6	87%	0.874	65%	0.647	S	S	*	*			trans	-52	114.4	178	-66.7	-175.1	-179.9	179.5	0	109.1	V305 K309	V305-K307 VanDerWaalsContact C-N 3.34Å; V305-K307 PolarHBondContact O-N 3.08Å; K307-K309 PolarHBondContact O-N 2.84Å
308	K	59.6	Low	62.2	Low	201 Å²	201	129.1 Å²	129.1	87%	0.874	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-65.4	131.1	-179.7	-68.9	171.1	-177.9	165.8	0	108.4	K306	K306-K308 PolarHBondContact O-N 2.98Å; K306-K308 VanDerWaalsContact O-N 3.08Å
309	K	73.1	Confident	65.3	Low	194 Å²	194	124.8 Å²	124.8	84%	0.843	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-58.7	132.8	176.7	-66.4	-172.1	177.5	-174.5	0	109.7	K307	K307-K309 PolarHBondContact O-N 2.84Å
310	P	79.8	Confident	68.5	Low	70 Å²	70	116 Å²	116	46%	0.455	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-65.5	144	-175.9	26.7	-34.9	0	0	0	111.5	L312 D396	P310-L312 HydrophobicContact CB-CD2 3.89Å; P310-L312 HydrophobicContact CB-CG 4.3Å; P310-L312 HydrophobicContact CG-CD2 4.19Å; P310-L312 HydrophobicContact CG-CG 4.26Å; P310-L312 PolarHBondContact O-N 2.91Å; P310-L312 VanDerWaalsContact O-N 3.13Å; P310-D396 HydrophobicContact CB-CB 3.79Å
311	K	90.3	Very high	71.5	Confident	163 Å²	163	111.7 Å²	111.7	71%	0.709	56%	0.558	S	S	*	*			trans	-88.3	70.4	-174.4	-64.7	174.9	-178.1	171.1	0	111	L313 P394 D396	K311-L313 PolarHBondContact O-N 3.14Å; K311-P394 WeakPolarHBondContact O-CB 3.46Å; K311-D396 PolarHBondContact N-OD2 3.22Å
312	L	92.3	Very high	74.5	Confident	37 Å²	37	107.7 Å²	107.7	19%	0.194	55%	0.548	C	S	.	.			trans	-75.5	14	-174.4	-49.9	-177.6	0	0	0	115.6	P310 D396 L397 L400	P310-L312 HydrophobicContact CB-CD2 3.89Å; P310-L312 HydrophobicContact CB-CG 4.3Å; P310-L312 HydrophobicContact CG-CD2 4.19Å; P310-L312 HydrophobicContact CG-CG 4.26Å; P310-L312 PolarHBondContact O-N 2.91Å; P310-L312 VanDerWaalsContact O-N 3.13Å; L312-D396 HydrophobicContact CD2-CB 4.33Å; L312-L397 HydrophobicContact CD2-CB 4.1Å; L312-L400 HydrophobicContact CD2-CD1 3.73Å
313	L	94.6	Very high	77.7	Confident	39 Å²	39	105.2 Å²	105.2	20%	0.204	53%	0.528	C	S	.	.			trans	-131.6	121.2	-174.7	-58.3	175	0	0	0	111	K311 D317 K318 K321 L324 R355	K311-L313 PolarHBondContact O-N 3.14Å; L313-D317 HydrophobicContact CB-CB 3.96Å; L313-D317 HydrophobicContact CD2-CB 3.64Å; L313-D317 HydrophobicContact CG-CB 4.4Å; L313-K318 HydrophobicContact CB-CG 3.94Å; L313-K318 HydrophobicContact CD1-CG 4.38Å; L313-K318 WeakPolarHBondContact O-CE 3.35Å; L313-K318 PolarHBondContact O-NZ 3.06Å; L313-K321 HydrophobicContact CD1-CD 3.86Å; L313-K321 HydrophobicContact CD1-CG 3.96Å; L313-L324 HydrophobicContact CD2-CD1 3.98Å; L313-R355 HydrophobicContact CD2-CB 4.14Å; L313-R355 HydrophobicContact CD2-CG 3.76Å
314	N	93.7	Very high	80.9	Confident	17 Å²	17	99.9 Å²	99.9	9%	0.091	49%	0.494	C	S	.	.			trans	-75.4	-155.8	174.9	76.8	14.5	0	0	0	111.7	F316 D317 K318 P354 D392 P394	N314-F316 WeakPolarHBondContact OD1-CA 3.28Å; N314-F316 WeakPolarHBondContact OD1-CB 3.47Å; N314-F316 PolarHBondContact OD1-N 3.27Å; N314-D317 PolarHBondContact N-OD2 2.77Å; N314-D317 PolarHBondContact OD1-N 2.84Å; N314-D317 PolarHBondContact OD1-OD2 2.04Å; N314-K318 VanDerWaalsContact O-CD 3.24Å; N314-K318 WeakPolarHBondContact O-CD 3.4Å; N314-K318 VanDerWaalsContact O-CE 3.23Å; N314-K318 WeakPolarHBondContact O-CE 3.32Å; N314-K318 WeakPolarHBondContact O-CG 3.38Å; N314-K318 PolarHBondContact O-NZ 2.73Å; N314-P354 WeakPolarHBondContact ND2-CD 3.32Å; N314-D392 HydrophobicContact CB-CB 4.36Å; N314-D392 WeakPolarHBondContact CB-O 3.3Å; N314-D392 PolarHBondContact ND2-O 2.88Å; N314-P394 HydrophobicContact CB-CG 3.93Å
315	K	94.1	Very high	83.8	Confident	172 Å²	172	98.3 Å²	98.3	75%	0.748	48%	0.479	S	S	*	.	S	Bend	trans	-74.6	-38.8	175.9	-69.7	174.3	-174.7	162	0	112.1
316	F	94.5	Very high	86.8	Confident	89 Å²	89	94.6 Å²	94.6	39%	0.39	46%	0.462	S	S	.	.	S	Bend	trans	-77.4	-45.6	-179.2	-179.8	-91.8	0	0	0	112.1	N314 K318 T319 I320 Y350	N314-F316 WeakPolarHBondContact OD1-CA 3.28Å; N314-F316 WeakPolarHBondContact OD1-CB 3.47Å; N314-F316 PolarHBondContact OD1-N 3.27Å; F316-K318 PolarHBondContact O-N 2.98Å; F316-T319 PolarHBondContact O-N 3.36Å; F316-T319 PolarHBondContact O-OG1 3.14Å; F316-I320 HydrophobicContact CD1-CD1 4.3Å; F316-I320 HydrophobicContact CD1-CG1 4.44Å; F316-I320 HydrophobicContact CE1-CD1 3.79Å; F316-I320 HydrophobicContact CE1-CG1 4.12Å; F316-I320 HydrophobicContact CE1-CG2 4.21Å; F316-I320 HydrophobicContact CZ-CG2 4.17Å; F316-Y350 HydrophobicContact CE1-CD1 4.02Å; F316-Y350 AromaticContact CE1-CG 3.99Å; F316-Y350 HydrophobicContact CE1-CG 3.99Å; F316-Y350 AromaticContact CZ-CD1 3.56Å; F316-Y350 HydrophobicContact CZ-CD1 3.56Å; F316-Y350 HydrophobicContact CZ-CE1 4.12Å; F316-Y350 HydrophobicContact CZ-CG 4.02Å
317	D	94.6	Very high	89.6	Confident	0 Å²	0	85.8 Å²	85.8	0%	0	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.4	180	-54.7	-45.5	0	0	0	113.1	L313 N314 K321 L324 S353 R355	L313-D317 HydrophobicContact CB-CB 3.96Å; L313-D317 HydrophobicContact CD2-CB 3.64Å; L313-D317 HydrophobicContact CG-CB 4.4Å; N314-D317 PolarHBondContact N-OD2 2.77Å; N314-D317 PolarHBondContact OD1-N 2.84Å; N314-D317 PolarHBondContact OD1-OD2 2.04Å; D317-K321 WeakPolarHBondContact O-CA 3.38Å; D317-K321 PolarHBondContact O-N 2.57Å; D317-L324 HydrophobicContact CB-CD1 3.96Å; D317-L324 WeakPolarHBondContact O-CD1 3.3Å; D317-S353 WeakPolarHBondContact OD1-CB 3.4Å; D317-S353 PolarHBondContact OD1-OG 3.16Å; D317-R355 HydrophobicContact CB-CB 4.18Å
318	K	94.9	Very high	91.7	Very high	122 Å²	122	77.1 Å²	77.1	53%	0.53	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-25.4	176.1	-71.5	171.4	-172.9	124.7	0	113.7	L313 N314 F316 K321	L313-K318 HydrophobicContact CB-CG 3.94Å; L313-K318 HydrophobicContact CD1-CG 4.38Å; L313-K318 WeakPolarHBondContact O-CE 3.35Å; L313-K318 PolarHBondContact O-NZ 3.06Å; N314-K318 VanDerWaalsContact O-CD 3.24Å; N314-K318 WeakPolarHBondContact O-CD 3.4Å; N314-K318 VanDerWaalsContact O-CE 3.23Å; N314-K318 WeakPolarHBondContact O-CE 3.32Å; N314-K318 WeakPolarHBondContact O-CG 3.38Å; N314-K318 PolarHBondContact O-NZ 2.73Å; F316-K318 PolarHBondContact O-N 2.98Å; K318-K321 WeakPolarHBondContact O-CB 3.41Å
319	T	96.2	Very high	93.5	Very high	108 Å²	108	73.4 Å²	73.4	66%	0.663	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-42.2	177.2	66.1	0	0	0	0	110.6	F316 K321	F316-T319 PolarHBondContact O-N 3.36Å; F316-T319 PolarHBondContact O-OG1 3.14Å; T319-K321 VanDerWaalsContact C-N 3.26Å; T319-K321 PolarHBondContact O-N 3.01Å
320	I	96	Very high	94.6	Very high	9 Å²	9	66.1 Å²	66.1	5%	0.046	34%	0.341	C	S	.	.	S	Bend	trans	-84.9	9.7	176	61	159.8	0	0	0	113.7	F316 A322 E323 L324 Y350	F316-I320 HydrophobicContact CD1-CD1 4.3Å; F316-I320 HydrophobicContact CD1-CG1 4.44Å; F316-I320 HydrophobicContact CE1-CD1 3.79Å; F316-I320 HydrophobicContact CE1-CG1 4.12Å; F316-I320 HydrophobicContact CE1-CG2 4.21Å; F316-I320 HydrophobicContact CZ-CG2 4.17Å; I320-A322 VanDerWaalsContact C-N 3.26Å; I320-A322 PolarHBondContact O-N 3.21Å; I320-A322 VanDerWaalsContact O-N 3.13Å; I320-E323 PolarHBondContact O-N 3.28Å; I320-L324 HydrophobicContact CD1-CD1 3.86Å; I320-L324 HydrophobicContact CD1-CD2 4.19Å; I320-L324 HydrophobicContact CD1-CG 3.99Å; I320-L324 HydrophobicContact CG1-CD1 3.82Å; I320-L324 HydrophobicContact CG1-CG 4.18Å; I320-L324 PolarHBondContact O-N 3.46Å; I320-Y350 HydrophobicContact CB-CE2 4.26Å; I320-Y350 HydrophobicContact CD1-CD2 3.76Å; I320-Y350 HydrophobicContact CD1-CE2 4.31Å; I320-Y350 HydrophobicContact CD1-CG 4.2Å; I320-Y350 HydrophobicContact CG2-CD2 4.08Å; I320-Y350 HydrophobicContact CG2-CE1 4.11Å; I320-Y350 HydrophobicContact CG2-CE2 3.64Å; I320-Y350 HydrophobicContact CG2-CG 4.5Å
321	K	96.2	Very high	95.4	Very high	93 Å²	93	63.9 Å²	63.9	40%	0.404	32%	0.323	S	S	.	.	H	α-helix	trans	-53.7	-39.7	-172	-176.3	-172.4	165.9	-161.6	0	113.1	L313 D317 K318 T319 E323 L324 D325	L313-K321 HydrophobicContact CD1-CD 3.86Å; L313-K321 HydrophobicContact CD1-CG 3.96Å; D317-K321 WeakPolarHBondContact O-CA 3.38Å; D317-K321 PolarHBondContact O-N 2.57Å; K318-K321 WeakPolarHBondContact O-CB 3.41Å; T319-K321 VanDerWaalsContact C-N 3.26Å; T319-K321 PolarHBondContact O-N 3.01Å; K321-E323 PolarHBondContact O-N 2.81Å; K321-L324 PolarHBondContact O-N 3.4Å; K321-D325 WeakPolarHBondContact CE-OD2 3.35Å; K321-D325 IonicContact NZ-OD2 2.37Å; K321-D325 WeakPolarHBondContact O-CB 3.31Å; K321-D325 PolarHBondContact O-N 2.89Å
322	A	96.1	Very high	95.6	Very high	81 Å²	81	63.5 Å²	63.5	67%	0.669	32%	0.322	S	S	*	.	H	α-helix	trans	-61.6	-33.2	-178.7	0	0	0	0	0	112.7	I320 A326	I320-A322 VanDerWaalsContact C-N 3.26Å; I320-A322 PolarHBondContact O-N 3.21Å; I320-A322 VanDerWaalsContact O-N 3.13Å; A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 3Å
323	E	96.4	Very high	95.8	Very high	66 Å²	66	69.4 Å²	69.4	31%	0.308	34%	0.342	S	S	.	.	H	α-helix	trans	-78.5	-41.4	177.5	-51.8	-177.9	-136.7	0	0	111.3	I320 K321 A326 A327 L346 R349	I320-E323 PolarHBondContact O-N 3.28Å; K321-E323 PolarHBondContact O-N 2.81Å; E323-A326 WeakPolarHBondContact O-CB 3.2Å; E323-A326 PolarHBondContact O-N 3.06Å; E323-A326 VanDerWaalsContact O-N 3.16Å; E323-A327 PolarHBondContact O-N 3.31Å; E323-L346 HydrophobicContact CB-CD2 3.76Å; E323-R349 IonicContact OE1-NH1 3.61Å; E323-R349 IonicContact OE2-CZ 2.82Å; E323-R349 IonicContact OE2-NH1 3.85Å; E323-R349 PolarHBondContact OE2-NH1 3.06Å; E323-R349 IonicContact OE2-NH2 3.23Å; E323-R349 PolarHBondContact OE2-NH2 2.92Å
324	L	96.5	Very high	95.8	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.01	36%	0.356	C	S	.	.	H	α-helix	trans	-59.9	-45.4	174	-66.2	171	0	0	0	111.7	L313 D317 I320 K321 A326 E328 F343 L346 R355 A356	L313-L324 HydrophobicContact CD2-CD1 3.98Å; D317-L324 HydrophobicContact CB-CD1 3.96Å; D317-L324 WeakPolarHBondContact O-CD1 3.3Å; I320-L324 HydrophobicContact CD1-CD1 3.86Å; I320-L324 HydrophobicContact CD1-CD2 4.19Å; I320-L324 HydrophobicContact CD1-CG 3.99Å; I320-L324 HydrophobicContact CG1-CD1 3.82Å; I320-L324 HydrophobicContact CG1-CG 4.18Å; I320-L324 PolarHBondContact O-N 3.46Å; K321-L324 PolarHBondContact O-N 3.4Å; L324-A326 VanDerWaalsContact C-N 3.29Å; L324-A326 PolarHBondContact O-N 2.92Å; L324-E328 WeakPolarHBondContact O-CB 3.22Å; L324-E328 PolarHBondContact O-N 2.83Å; L324-F343 HydrophobicContact CD2-CE1 4.24Å; L324-L346 HydrophobicContact CD2-CD1 4.32Å; L324-R355 HydrophobicContact CD1-CB 4Å; L324-R355 HydrophobicContact CD1-CG 3.85Å; L324-R355 HydrophobicContact CD2-CB 4.41Å; L324-R355 HydrophobicContact CD2-CG 4.16Å; L324-R355 HydrophobicContact CG-CG 4.46Å; L324-A356 HydrophobicContact CD2-CB 4Å
325	D	96.4	Very high	95.9	Very high	81 Å²	81	73.1 Å²	73.1	43%	0.433	37%	0.369	S	S	.	.	H	α-helix	trans	-66.6	-29.3	176	-80	-1.3	0	0	0	111.7	K321 K329	K321-D325 WeakPolarHBondContact CE-OD2 3.35Å; K321-D325 IonicContact NZ-OD2 2.37Å; K321-D325 WeakPolarHBondContact O-CB 3.31Å; K321-D325 PolarHBondContact O-N 2.89Å; D325-K329 VanDerWaalsContact O-CB 3.24Å; D325-K329 WeakPolarHBondContact O-CB 3.28Å; D325-K329 PolarHBondContact O-N 3.35Å; D325-K329 VanDerWaalsContact O-N 3.09Å
326	A	96.7	Very high	96	Very high	53 Å²	53	65.9 Å²	65.9	44%	0.438	34%	0.338	S	S	.	.	H	α-helix	trans	-72.4	-46.3	175.8	0	0	0	0	0	112.3	A322 E323 L324 K329 L330	A322-A326 WeakPolarHBondContact O-CB 3.47Å; A322-A326 PolarHBondContact O-N 3Å; E323-A326 WeakPolarHBondContact O-CB 3.2Å; E323-A326 PolarHBondContact O-N 3.06Å; E323-A326 VanDerWaalsContact O-N 3.16Å; L324-A326 VanDerWaalsContact C-N 3.29Å; L324-A326 PolarHBondContact O-N 2.92Å; A326-K329 WeakPolarHBondContact O-CB 3.47Å; A326-K329 PolarHBondContact O-N 2.94Å; A326-L330 PolarHBondContact O-N 3.25Å
327	A	96.7	Very high	96	Very high	3 Å²	3	65.7 Å²	65.7	3%	0.025	34%	0.339	C	S	.	.	H	α-helix	trans	-65.4	-41.4	175.3	0	0	0	0	0	111.7	E323 K329 L330 R331 A342 F343 L346	E323-A327 PolarHBondContact O-N 3.31Å; A327-K329 PolarHBondContact O-N 3.47Å; A327-L330 WeakPolarHBondContact O-CB 3.14Å; A327-L330 PolarHBondContact O-N 2.83Å; A327-R331 PolarHBondContact O-N 3.43Å; A327-A342 HydrophobicContact CB-CB 3.82Å; A327-F343 VanDerWaalsContact C-CE2 3.48Å; A327-F343 HydrophobicContact CB-CD1 4.1Å; A327-F343 HydrophobicContact CB-CD2 3.74Å; A327-F343 HydrophobicContact CB-CE1 3.86Å; A327-F343 HydrophobicContact CB-CE2 3.5Å; A327-F343 HydrophobicContact CB-CG 4.05Å; A327-F343 HydrophobicContact CB-CZ 3.56Å; A327-L346 HydrophobicContact CB-CD1 3.81Å
328	E	96.4	Very high	96	Very high	20 Å²	20	70 Å²	70	9%	0.093	36%	0.359	C	S	.	.	H	α-helix	trans	-57.8	-35.3	172.2	-179.6	67.8	-167	0	0	112.4	L324 R331 K332 F343 R355	L324-E328 WeakPolarHBondContact O-CB 3.22Å; L324-E328 PolarHBondContact O-N 2.83Å; E328-R331 IonicContact OE1-CZ 3.33Å; E328-R331 IonicContact OE1-NH1 2.74Å; E328-R331 IonicContact OE1-NH2 3.13Å; E328-R331 PolarHBondContact OE1-NH2 3.23Å; E328-R331 IonicContact OE2-CZ 3.63Å; E328-R331 IonicContact OE2-NH1 2.62Å; E328-R331 PolarHBondContact OE2-NH1 3.35Å; E328-R331 IonicContact OE2-NH2 2.71Å; E328-R331 PolarHBondContact OE2-NH2 2.87Å; E328-K332 HydrophobicContact CG-CD 4.4Å; E328-K332 WeakPolarHBondContact O-CB 3.42Å; E328-K332 PolarHBondContact O-N 2.86Å; E328-K332 IonicContact OE1-NZ 2.7Å; E328-K332 PolarHBondContact OE1-NZ 2.76Å; E328-F343 HydrophobicContact CB-CZ 4.29Å; E328-R355 VanDerWaalsContact CD-NH2 3.3Å; E328-R355 IonicContact OE1-NH2 3.54Å; E328-R355 IonicContact OE2-CZ 2.79Å; E328-R355 IonicContact OE2-NH1 2.73Å; E328-R355 IonicContact OE2-NH2 3.85Å; E328-R355 PolarHBondContact OE2-NH2 2.95Å
329	K	97.2	Very high	96.1	Very high	122 Å²	122	64.2 Å²	64.2	53%	0.53	33%	0.334	S	S	.	.	H	α-helix	trans	-73.6	-24.2	177.2	-174.2	178	-177.3	-179.9	0	113	D325 A326 A327 R333	D325-K329 VanDerWaalsContact O-CB 3.24Å; D325-K329 WeakPolarHBondContact O-CB 3.28Å; D325-K329 PolarHBondContact O-N 3.35Å; D325-K329 VanDerWaalsContact O-N 3.09Å; A326-K329 WeakPolarHBondContact O-CB 3.47Å; A326-K329 PolarHBondContact O-N 2.94Å; A327-K329 PolarHBondContact O-N 3.47Å; K329-R333 VanDerWaalsContact O-CD 3.26Å; K329-R333 WeakPolarHBondContact O-CD 3.25Å; K329-R333 WeakPolarHBondContact O-CG 3.07Å
330	L	96.8	Very high	96.1	Very high	42 Å²	42	59.8 Å²	59.8	22%	0.22	31%	0.307	C	S	.	.	H	α-helix	trans	-71.1	-48.8	170.2	-66	169.9	0	0	0	110.3	A326 A327 K332 R333 K335 E338 A339 A342	A326-L330 PolarHBondContact O-N 3.25Å; A327-L330 WeakPolarHBondContact O-CB 3.14Å; A327-L330 PolarHBondContact O-N 2.83Å; L330-K332 PolarHBondContact O-N 3.49Å; L330-R333 WeakPolarHBondContact O-CA 3.46Å; L330-R333 WeakPolarHBondContact O-CB 3.39Å; L330-R333 PolarHBondContact O-N 2.83Å; L330-K335 HydrophobicContact CB-CB 4.45Å; L330-K335 HydrophobicContact CD2-CD 4.21Å; L330-K335 PolarHBondContact O-N 3.42Å; L330-E338 HydrophobicContact CD1-CB 4.19Å; L330-A339 HydrophobicContact CB-CB 3.86Å; L330-A342 HydrophobicContact CD1-CB 4.09Å
331	R	96.9	Very high	96.2	Very high	22 Å²	22	62.9 Å²	62.9	8%	0.083	33%	0.329	C	S	.	.	H	α-helix	trans	-57.2	-48.7	178	-158.2	180	80.1	-105.4	-14.3	111.4	A327 E328 R333 G334 A339 C363 D366	A327-R331 PolarHBondContact O-N 3.43Å; E328-R331 IonicContact OE1-CZ 3.33Å; E328-R331 IonicContact OE1-NH1 2.74Å; E328-R331 IonicContact OE1-NH2 3.13Å; E328-R331 PolarHBondContact OE1-NH2 3.23Å; E328-R331 IonicContact OE2-CZ 3.63Å; E328-R331 IonicContact OE2-NH1 2.62Å; E328-R331 PolarHBondContact OE2-NH1 3.35Å; E328-R331 IonicContact OE2-NH2 2.71Å; E328-R331 PolarHBondContact OE2-NH2 2.87Å; R331-R333 PolarHBondContact O-N 3.14Å; R331-G334 PolarHBondContact O-N 3.19Å; R331-A339 HydrophobicContact CB-CB 3.79Å; R331-A339 HydrophobicContact CG-CB 4.36Å; R331-C363 WeakPolarHBondContact CD-SG 3.3Å; R331-D366 WeakPolarHBondContact CD-OD2 3.36Å; R331-D366 WeakPolarHBondContact CG-OD2 3.39Å; R331-D366 IonicContact NE-OD2 3.24Å; R331-D366 PolarHBondContact NE-OD2 2.82Å; R331-D366 VanDerWaalsContact NE-OD2 3.09Å
332	K	95.4	Very high	96.2	Very high	155 Å²	155	59.9 Å²	59.9	67%	0.674	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-0.7	174.8	-78	-178.1	162.6	121.4	0	116.1	E328 L330	E328-K332 HydrophobicContact CG-CD 4.4Å; E328-K332 WeakPolarHBondContact O-CB 3.42Å; E328-K332 PolarHBondContact O-N 2.86Å; E328-K332 IonicContact OE1-NZ 2.7Å; E328-K332 PolarHBondContact OE1-NZ 2.76Å; L330-K332 PolarHBondContact O-N 3.49Å
333	R	96.1	Very high	96.3	Very high	162 Å²	162	56 Å²	56	61%	0.611	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	8.8	172.6	-77	171.6	160.2	-172.6	-14.1	112.6	K329 L330 R331 K335	K329-R333 VanDerWaalsContact O-CD 3.26Å; K329-R333 WeakPolarHBondContact O-CD 3.25Å; K329-R333 WeakPolarHBondContact O-CG 3.07Å; L330-R333 WeakPolarHBondContact O-CA 3.46Å; L330-R333 WeakPolarHBondContact O-CB 3.39Å; L330-R333 PolarHBondContact O-N 2.83Å; R331-R333 PolarHBondContact O-N 3.14Å; R333-K335 HydrophobicContact CB-CD 4.47Å; R333-K335 PolarHBondContact O-N 2.82Å
334	G	93.8	Very high	96.4	Very high	49 Å²	49	56.8 Å²	56.8	51%	0.505	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	2.1	-174.1	0	0	0	0	0	114.4	R331 I336	R331-G334 PolarHBondContact O-N 3.19Å; G334-I336 PolarHBondContact O-N 3.47Å
335	K	96.5	Very high	96.4	Very high	84 Å²	84	59.7 Å²	59.7	37%	0.365	31%	0.307	S	S	.	.			trans	-80.6	61.5	175.2	-75.7	168.4	152.6	-79.3	0	109.7	L330 R333 E338 A339	L330-K335 HydrophobicContact CB-CB 4.45Å; L330-K335 HydrophobicContact CD2-CD 4.21Å; L330-K335 PolarHBondContact O-N 3.42Å; R333-K335 HydrophobicContact CB-CD 4.47Å; R333-K335 PolarHBondContact O-N 2.82Å; K335-E338 HydrophobicContact CB-CB 4.28Å; K335-E338 WeakPolarHBondContact CD-OE2 3.43Å; K335-E338 IonicContact NZ-OE1 2.73Å; K335-E338 PolarHBondContact NZ-OE1 3.03Å; K335-E338 IonicContact NZ-OE2 3.74Å; K335-E338 PolarHBondContact NZ-OE2 3.36Å; K335-E338 PolarHBondContact O-N 2.91Å; K335-A339 WeakPolarHBondContact O-CB 3.39Å; K335-A339 PolarHBondContact O-N 2.9Å
336	I	95	Very high	96.4	Very high	20 Å²	20	56 Å²	56	10%	0.103	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-45.1	-170.5	-66.9	161.1	0	0	0	110.6	G334 E338 A339 V340 D366 L367 K370	G334-I336 PolarHBondContact O-N 3.47Å; I336-E338 PolarHBondContact O-N 2.62Å; I336-A339 CarbonylContact O-C 3.55Å; I336-A339 WeakPolarHBondContact O-CA 3.41Å; I336-A339 WeakPolarHBondContact O-CB 3.26Å; I336-A339 PolarHBondContact O-N 3.42Å; I336-V340 HydrophobicContact CG2-CG2 4.4Å; I336-V340 WeakPolarHBondContact O-CG2 3.07Å; I336-V340 PolarHBondContact O-N 2.8Å; I336-D366 HydrophobicContact CD1-CB 3.99Å; I336-D366 HydrophobicContact CG1-CB 4.14Å; I336-D366 HydrophobicContact CG2-CB 4.28Å; I336-L367 HydrophobicContact CG2-CB 3.75Å; I336-L367 HydrophobicContact CG2-CD1 4.06Å; I336-L367 HydrophobicContact CG2-CG 4.5Å; I336-K370 HydrophobicContact CD1-CB 4.47Å; I336-K370 HydrophobicContact CD1-CD 4.09Å
337	E	94.4	Very high	96.5	Very high	86 Å²	86	54.2 Å²	54.2	40%	0.402	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-45.4	179.6	-67.2	76.6	-173.9	0	0	112.1	A339 V340 S341 K370	E337-A339 VanDerWaalsContact C-N 3.27Å; E337-A339 PolarHBondContact O-N 3.13Å; E337-V340 PolarHBondContact O-N 3.39Å; E337-S341 PolarHBondContact O-N 3.34Å; E337-S341 VanDerWaalsContact O-N 3.11Å; E337-S341 PolarHBondContact O-OG 2.77Å; E337-K370 WeakPolarHBondContact OE1-CE 3.34Å; E337-K370 IonicContact OE1-NZ 3.95Å; E337-K370 PolarHBondContact OE1-NZ 3.25Å; E337-K370 IonicContact OE2-NZ 2.68Å; E337-K370 PolarHBondContact OE2-NZ 2.74Å
338	E	96.2	Very high	96.5	Very high	90 Å²	90	62.8 Å²	62.8	42%	0.421	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-33.6	173.5	-68.6	163.5	-129.8	0	0	112	L330 K335 I336 A342	L330-E338 HydrophobicContact CD1-CB 4.19Å; K335-E338 HydrophobicContact CB-CB 4.28Å; K335-E338 WeakPolarHBondContact CD-OE2 3.43Å; K335-E338 IonicContact NZ-OE1 2.73Å; K335-E338 PolarHBondContact NZ-OE1 3.03Å; K335-E338 IonicContact NZ-OE2 3.74Å; K335-E338 PolarHBondContact NZ-OE2 3.36Å; K335-E338 PolarHBondContact O-N 2.91Å; I336-E338 PolarHBondContact O-N 2.62Å; E338-A342 VanDerWaalsContact O-CB 3.24Å; E338-A342 WeakPolarHBondContact O-CB 3.19Å; E338-A342 PolarHBondContact O-N 3.09Å
339	A	97.2	Very high	96.5	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-73.5	-40.6	178.2	0	0	0	0	0	112.5	L330 R331 K335 I336 E337 A342 F343	L330-A339 HydrophobicContact CB-CB 3.86Å; R331-A339 HydrophobicContact CB-CB 3.79Å; R331-A339 HydrophobicContact CG-CB 4.36Å; K335-A339 WeakPolarHBondContact O-CB 3.39Å; K335-A339 PolarHBondContact O-N 2.9Å; I336-A339 CarbonylContact O-C 3.55Å; I336-A339 WeakPolarHBondContact O-CA 3.41Å; I336-A339 WeakPolarHBondContact O-CB 3.26Å; I336-A339 PolarHBondContact O-N 3.42Å; E337-A339 VanDerWaalsContact C-N 3.27Å; E337-A339 PolarHBondContact O-N 3.13Å; A339-A342 PolarHBondContact O-N 2.91Å; A339-F343 VanDerWaalsContact O-CD2 3.31Å; A339-F343 WeakPolarHBondContact O-CD2 3.3Å; A339-F343 PolarHBondContact O-N 2.97Å
340	V	95.9	Very high	96.5	Very high	16 Å²	16	63.6 Å²	63.6	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-54.7	-57.5	170.6	172.6	0	0	0	0	108.8	I336 E337 A342 F343 E344 C363 L367	I336-V340 HydrophobicContact CG2-CG2 4.4Å; I336-V340 WeakPolarHBondContact O-CG2 3.07Å; I336-V340 PolarHBondContact O-N 2.8Å; E337-V340 PolarHBondContact O-N 3.39Å; V340-A342 VanDerWaalsContact C-N 3.28Å; V340-A342 PolarHBondContact O-N 2.98Å; V340-F343 PolarHBondContact O-N 3.34Å; V340-F343 VanDerWaalsContact O-N 3.12Å; V340-E344 HydrophobicContact CG1-CG 4.19Å; V340-E344 WeakPolarHBondContact O-CB 3.45Å; V340-E344 WeakPolarHBondContact O-CG 3.43Å; V340-E344 PolarHBondContact O-N 2.85Å; V340-C363 HydrophobicContact CB-CB 4.32Å; V340-C363 HydrophobicContact CG2-CB 3.48Å; V340-C363 VanDerWaalsContact CG2-CB 3.48Å; V340-L367 HydrophobicContact CG2-CD2 4.3Å
341	S	96.8	Very high	96.4	Very high	74 Å²	74	64.8 Å²	64.8	52%	0.517	31%	0.312	S	S	.	.	H	α-helix	trans	-57.8	-39.2	-179.5	-54	0	0	0	0	112.9	E337 E345	E337-S341 PolarHBondContact O-N 3.34Å; E337-S341 VanDerWaalsContact O-N 3.11Å; E337-S341 PolarHBondContact O-OG 2.77Å; S341-E345 WeakPolarHBondContact O-CB 3.43Å; S341-E345 PolarHBondContact O-N 3.05Å
342	A	97.4	Very high	96.3	Very high	29 Å²	29	69.1 Å²	69.1	24%	0.24	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-40.7	177.4	0	0	0	0	0	112.9	A327 L330 E338 A339 V340 L346	A327-A342 HydrophobicContact CB-CB 3.82Å; L330-A342 HydrophobicContact CD1-CB 4.09Å; E338-A342 VanDerWaalsContact O-CB 3.24Å; E338-A342 WeakPolarHBondContact O-CB 3.19Å; E338-A342 PolarHBondContact O-N 3.09Å; A339-A342 PolarHBondContact O-N 2.91Å; V340-A342 VanDerWaalsContact C-N 3.28Å; V340-A342 PolarHBondContact O-N 2.98Å; A342-L346 WeakPolarHBondContact O-CB 3.39Å; A342-L346 WeakPolarHBondContact O-CD1 3.36Å; A342-L346 VanDerWaalsContact O-CG 3.3Å; A342-L346 WeakPolarHBondContact O-CG 3.18Å; A342-L346 PolarHBondContact O-N 3.31Å
343	F	98	Very high	96.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-75.3	-32.4	176.7	-82.2	-67.6	0	0	0	112.8	L324 A327 E328 A339 V340 L346 V347 K360 C363	L324-F343 HydrophobicContact CD2-CE1 4.24Å; A327-F343 VanDerWaalsContact C-CE2 3.48Å; A327-F343 HydrophobicContact CB-CD1 4.1Å; A327-F343 HydrophobicContact CB-CD2 3.74Å; A327-F343 HydrophobicContact CB-CE1 3.86Å; A327-F343 HydrophobicContact CB-CE2 3.5Å; A327-F343 HydrophobicContact CB-CG 4.05Å; A327-F343 HydrophobicContact CB-CZ 3.56Å; E328-F343 HydrophobicContact CB-CZ 4.29Å; A339-F343 VanDerWaalsContact O-CD2 3.31Å; A339-F343 WeakPolarHBondContact O-CD2 3.3Å; A339-F343 PolarHBondContact O-N 2.97Å; V340-F343 PolarHBondContact O-N 3.34Å; V340-F343 VanDerWaalsContact O-N 3.12Å; F343-L346 HydrophobicContact CD1-CD1 4.05Å; F343-L346 HydrophobicContact CE1-CD1 4.35Å; F343-L346 PolarHBondContact O-N 2.99Å; F343-V347 WeakPolarHBondContact O-CB 3.27Å; F343-V347 VanDerWaalsContact O-CG2 3.28Å; F343-V347 WeakPolarHBondContact O-CG2 3.14Å; F343-V347 PolarHBondContact O-N 3.41Å; F343-K360 HydrophobicContact CB-CB 4.03Å; F343-C363 WeakPolarHBondContact CD2-SG 3.46Å
344	E	97.3	Very high	96.4	Very high	83 Å²	83	54.1 Å²	54.1	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-62.7	-45.6	170.5	-74	179.6	152.2	0	0	111.4	V340 L346 V347 R348 K360	V340-E344 HydrophobicContact CG1-CG 4.19Å; V340-E344 WeakPolarHBondContact O-CB 3.45Å; V340-E344 WeakPolarHBondContact O-CG 3.43Å; V340-E344 PolarHBondContact O-N 2.85Å; E344-L346 VanDerWaalsContact C-N 3.31Å; E344-L346 PolarHBondContact O-N 2.83Å; E344-V347 CarbonylContact O-C 3.59Å; E344-V347 PolarHBondContact O-N 2.92Å; E344-R348 WeakPolarHBondContact O-CB 3.32Å; E344-R348 PolarHBondContact O-N 3.49Å; E344-K360 HydrophobicContact CG-CD 4.03Å; E344-K360 HydrophobicContact CG-CG 4.29Å
345	E	97.6	Very high	96.6	Very high	63 Å²	63	52.6 Å²	52.6	29%	0.294	25%	0.251	S	S	.	.	H	α-helix	trans	-65.7	-33.1	175.3	178	56.1	-164.7	0	0	112.5	S341 R348 R349	S341-E345 WeakPolarHBondContact O-CB 3.43Å; S341-E345 PolarHBondContact O-N 3.05Å; E345-R348 IonicContact OE1-CZ 3.48Å; E345-R348 IonicContact OE1-NE 3.11Å; E345-R348 IonicContact OE1-NH2 2.58Å; E345-R348 PolarHBondContact OE1-NH2 3.41Å; E345-R348 IonicContact OE2-CZ 3.42Å; E345-R348 IonicContact OE2-NE 3.3Å; E345-R348 PolarHBondContact OE2-NE 2.87Å; E345-R348 IonicContact OE2-NH2 2.67Å; E345-R348 PolarHBondContact OE2-NH2 3.1Å; E345-R349 WeakPolarHBondContact O-CB 3.16Å; E345-R349 WeakPolarHBondContact O-CG 3.31Å; E345-R349 PolarHBondContact O-N 2.97Å; E345-R349 PolarHBondContact O-NE 2.92Å; E345-R349 WeakPolarHBondContact OE1-CD 3.49Å; E345-R349 WeakPolarHBondContact OE1-CG 3.13Å; E345-R349 IonicContact OE1-NE 2.75Å; E345-R349 PolarHBondContact OE1-NE 2.98Å
346	L	97.1	Very high	96.6	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-40	171.1	-79.4	162.5	0	0	0	112.3	E323 L324 A327 A342 F343 E344 Y350 A356	E323-L346 HydrophobicContact CB-CD2 3.76Å; L324-L346 HydrophobicContact CD2-CD1 4.32Å; A327-L346 HydrophobicContact CB-CD1 3.81Å; A342-L346 WeakPolarHBondContact O-CB 3.39Å; A342-L346 WeakPolarHBondContact O-CD1 3.36Å; A342-L346 VanDerWaalsContact O-CG 3.3Å; A342-L346 WeakPolarHBondContact O-CG 3.18Å; A342-L346 PolarHBondContact O-N 3.31Å; F343-L346 HydrophobicContact CD1-CD1 4.05Å; F343-L346 HydrophobicContact CE1-CD1 4.35Å; F343-L346 PolarHBondContact O-N 2.99Å; E344-L346 VanDerWaalsContact C-N 3.31Å; E344-L346 PolarHBondContact O-N 2.83Å; L346-Y350 HydrophobicContact CD2-CD2 3.93Å; L346-Y350 HydrophobicContact CD2-CE2 3.95Å; L346-Y350 WeakPolarHBondContact O-CA 3.13Å; L346-Y350 VanDerWaalsContact O-CB 3.32Å; L346-Y350 WeakPolarHBondContact O-CB 3.22Å; L346-Y350 PolarHBondContact O-N 3.33Å; L346-A356 HydrophobicContact CB-CB 4.06Å
347	V	97.2	Very high	96.7	Very high	15 Å²	15	50.1 Å²	50.1	9%	0.091	24%	0.238	C	C	.	.	H	α-helix	trans	-68.7	-36.1	174.9	167.9	0	0	0	0	111.2	F343 E344 Y350 P351 A356 R357 K360	F343-V347 WeakPolarHBondContact O-CB 3.27Å; F343-V347 VanDerWaalsContact O-CG2 3.28Å; F343-V347 WeakPolarHBondContact O-CG2 3.14Å; F343-V347 PolarHBondContact O-N 3.41Å; E344-V347 CarbonylContact O-C 3.59Å; E344-V347 PolarHBondContact O-N 2.92Å; V347-Y350 CarbonylContact O-C 3.35Å; V347-P351 WeakPolarHBondContact O-CA 3.34Å; V347-P351 WeakPolarHBondContact O-CD 3.21Å; V347-P351 WeakPolarHBondContact O-CG 3.28Å; V347-P351 VanDerWaalsContact O-N 3.08Å; V347-A356 HydrophobicContact CG2-CB 3.88Å; V347-R357 HydrophobicContact CG2-CB 4.46Å; V347-K360 HydrophobicContact CG2-CB 4.39Å
348	R	97.3	Very high	96.9	Very high	182 Å²	182	46.9 Å²	46.9	69%	0.687	22%	0.222	S	C	*	.	H	α-helix	trans	-66.9	-43.2	176.1	-167.8	179.2	70.8	111.2	5.3	112.1	E344 E345	E344-R348 WeakPolarHBondContact O-CB 3.32Å; E344-R348 PolarHBondContact O-N 3.49Å; E345-R348 IonicContact OE1-CZ 3.48Å; E345-R348 IonicContact OE1-NE 3.11Å; E345-R348 IonicContact OE1-NH2 2.58Å; E345-R348 PolarHBondContact OE1-NH2 3.41Å; E345-R348 IonicContact OE2-CZ 3.42Å; E345-R348 IonicContact OE2-NE 3.3Å; E345-R348 PolarHBondContact OE2-NE 2.87Å; E345-R348 IonicContact OE2-NH2 2.67Å; E345-R348 PolarHBondContact OE2-NH2 3.1Å
349	R	97.2	Very high	97	Very high	100 Å²	100	42.6 Å²	42.6	38%	0.377	20%	0.202	S	C	.	.	H	α-helix	trans	-76.7	-31.4	176.6	-70.2	-176	-66.6	126.3	-2.6	113.2	E323 E345	E323-R349 IonicContact OE1-NH1 3.61Å; E323-R349 IonicContact OE2-CZ 2.82Å; E323-R349 IonicContact OE2-NH1 3.85Å; E323-R349 PolarHBondContact OE2-NH1 3.06Å; E323-R349 IonicContact OE2-NH2 3.23Å; E323-R349 PolarHBondContact OE2-NH2 2.92Å; E345-R349 WeakPolarHBondContact O-CB 3.16Å; E345-R349 WeakPolarHBondContact O-CG 3.31Å; E345-R349 PolarHBondContact O-N 2.97Å; E345-R349 PolarHBondContact O-NE 2.92Å; E345-R349 WeakPolarHBondContact OE1-CD 3.49Å; E345-R349 WeakPolarHBondContact OE1-CG 3.13Å; E345-R349 IonicContact OE1-NE 2.75Å; E345-R349 PolarHBondContact OE1-NE 2.98Å
350	Y	96.3	Very high	97	Very high	60 Å²	60	43.8 Å²	43.8	24%	0.235	21%	0.208	C	C	.	.			trans	-132.2	68.6	-176.4	-48.3	-57.7	0	0	0	112.4	F316 I320 L346 V347 Q352 S353	F316-Y350 HydrophobicContact CE1-CD1 4.02Å; F316-Y350 AromaticContact CE1-CG 3.99Å; F316-Y350 HydrophobicContact CE1-CG 3.99Å; F316-Y350 AromaticContact CZ-CD1 3.56Å; F316-Y350 HydrophobicContact CZ-CD1 3.56Å; F316-Y350 HydrophobicContact CZ-CE1 4.12Å; F316-Y350 HydrophobicContact CZ-CG 4.02Å; I320-Y350 HydrophobicContact CB-CE2 4.26Å; I320-Y350 HydrophobicContact CD1-CD2 3.76Å; I320-Y350 HydrophobicContact CD1-CE2 4.31Å; I320-Y350 HydrophobicContact CD1-CG 4.2Å; I320-Y350 HydrophobicContact CG2-CD2 4.08Å; I320-Y350 HydrophobicContact CG2-CE1 4.11Å; I320-Y350 HydrophobicContact CG2-CE2 3.64Å; I320-Y350 HydrophobicContact CG2-CG 4.5Å; L346-Y350 HydrophobicContact CD2-CD2 3.93Å; L346-Y350 HydrophobicContact CD2-CE2 3.95Å; L346-Y350 WeakPolarHBondContact O-CA 3.13Å; L346-Y350 VanDerWaalsContact O-CB 3.32Å; L346-Y350 WeakPolarHBondContact O-CB 3.22Å; L346-Y350 PolarHBondContact O-N 3.33Å; V347-Y350 CarbonylContact O-C 3.35Å; Y350-Q352 PolarHBondContact O-N 3.22Å; Y350-S353 WeakPolarHBondContact O-CB 3.46Å; Y350-S353 PolarHBondContact O-N 3.47Å
351	P	95.6	Very high	97.1	Very high	67 Å²	67	43 Å²	43	44%	0.435	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.6	-174.8	-26.1	35	0	0	0	115	V347	V347-P351 WeakPolarHBondContact O-CA 3.34Å; V347-P351 WeakPolarHBondContact O-CD 3.21Å; V347-P351 WeakPolarHBondContact O-CG 3.28Å; V347-P351 VanDerWaalsContact O-N 3.08Å
352	Q	94.5	Very high	97.2	Very high	113 Å²	113	41.2 Å²	41.2	53%	0.528	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	16	-179.7	-59.4	-63.6	-28.7	0	0	113.5	Y350 P354	Y350-Q352 PolarHBondContact O-N 3.22Å; Q352-P354 VanDerWaalsContact O-CD 3.31Å; Q352-P354 WeakPolarHBondContact O-CD 3.18Å
353	S	96.8	Very high	97.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	18%	0.175	C	C	.	.			trans	-91.1	109.1	172.6	173.8	0	0	0	0	110.9	D317 Y350 R355 A356 R357	D317-S353 WeakPolarHBondContact OD1-CB 3.4Å; D317-S353 PolarHBondContact OD1-OG 3.16Å; Y350-S353 WeakPolarHBondContact O-CB 3.46Å; Y350-S353 PolarHBondContact O-N 3.47Å; S353-R355 PolarHBondContact O-N 3.18Å; S353-A356 PolarHBondContact O-N 2.88Å; S353-A356 WeakPolarHBondContact OG-CB 3.14Å; S353-A356 PolarHBondContact OG-N 2.78Å; S353-A356 VanDerWaalsContact OG-N 3.07Å; S353-R357 PolarHBondContact O-N 2.88Å; S353-R357 VanDerWaalsContact O-N 3.11Å
354	P	96.9	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-34.1	176	-19.1	33.3	0	0	0	111.1	N314 Q352 Y358 L390 A393 L397	N314-P354 WeakPolarHBondContact ND2-CD 3.32Å; Q352-P354 VanDerWaalsContact O-CD 3.31Å; Q352-P354 WeakPolarHBondContact O-CD 3.18Å; P354-Y358 VanDerWaalsContact O-CB 3.23Å; P354-Y358 WeakPolarHBondContact O-CB 3.23Å; P354-Y358 PolarHBondContact O-N 2.88Å; P354-L390 HydrophobicContact CB-CB 4.48Å; P354-L390 HydrophobicContact CG-CB 4.15Å; P354-A393 HydrophobicContact CB-CB 4.05Å; P354-A393 HydrophobicContact CG-CB 4.09Å; P354-L397 HydrophobicContact CB-CD1 4.3Å; P354-L397 HydrophobicContact CB-CD2 4.08Å
355	R	97.2	Very high	97.2	Very high	17 Å²	17	36.1 Å²	36.1	6%	0.064	16%	0.158	C	C	.	.	H	α-helix	trans	-72.6	-33.3	179.3	-174.9	57.5	-174.6	88.9	-4.2	113.6	L313 D317 L324 E328 S353 G359 L397	L313-R355 HydrophobicContact CD2-CB 4.14Å; L313-R355 HydrophobicContact CD2-CG 3.76Å; D317-R355 HydrophobicContact CB-CB 4.18Å; L324-R355 HydrophobicContact CD1-CB 4Å; L324-R355 HydrophobicContact CD1-CG 3.85Å; L324-R355 HydrophobicContact CD2-CB 4.41Å; L324-R355 HydrophobicContact CD2-CG 4.16Å; L324-R355 HydrophobicContact CG-CG 4.46Å; E328-R355 VanDerWaalsContact CD-NH2 3.3Å; E328-R355 IonicContact OE1-NH2 3.54Å; E328-R355 IonicContact OE2-CZ 2.79Å; E328-R355 IonicContact OE2-NH1 2.73Å; E328-R355 IonicContact OE2-NH2 3.85Å; E328-R355 PolarHBondContact OE2-NH2 2.95Å; S353-R355 PolarHBondContact O-N 3.18Å; R355-G359 PolarHBondContact O-N 2.81Å; R355-L397 HydrophobicContact CB-CD1 4.28Å
356	A	97.1	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.4	-48.5	172.2	0	0	0	0	0	110.8	L324 L346 V347 S353 Y358 G359 K360	L324-A356 HydrophobicContact CD2-CB 4Å; L346-A356 HydrophobicContact CB-CB 4.06Å; V347-A356 HydrophobicContact CG2-CB 3.88Å; S353-A356 PolarHBondContact O-N 2.88Å; S353-A356 WeakPolarHBondContact OG-CB 3.14Å; S353-A356 PolarHBondContact OG-N 2.78Å; S353-A356 VanDerWaalsContact OG-N 3.07Å; A356-Y358 PolarHBondContact O-N 2.97Å; A356-G359 WeakPolarHBondContact O-CA 3.48Å; A356-G359 PolarHBondContact O-N 2.89Å; A356-K360 PolarHBondContact O-N 3.11Å
357	R	98	Very high	97.2	Very high	53 Å²	53	36.3 Å²	36.3	20%	0.2	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-45.4	178.9	-150.6	78.6	-179.7	-159.1	8.6	111.8	V347 S353 G359 K360 A361 T383 E386 A387 L390	V347-R357 HydrophobicContact CG2-CB 4.46Å; S353-R357 PolarHBondContact O-N 2.88Å; S353-R357 VanDerWaalsContact O-N 3.11Å; R357-G359 VanDerWaalsContact C-N 3.31Å; R357-G359 PolarHBondContact O-N 3.21Å; R357-K360 WeakPolarHBondContact O-CB 3.43Å; R357-K360 PolarHBondContact O-N 2.88Å; R357-A361 PolarHBondContact O-N 3.27Å; R357-T383 HydrophobicContact CG-CG2 4.04Å; R357-T383 WeakPolarHBondContact O-CG2 3.36Å; R357-E386 HydrophobicContact CG-CB 4.05Å; R357-E386 IonicContact CZ-OE1 3.87Å; R357-E386 IonicContact CZ-OE2 3.44Å; R357-E386 IonicContact NE-OE1 2.67Å; R357-E386 IonicContact NE-OE2 2.72Å; R357-E386 PolarHBondContact NE-OE2 3.4Å; R357-E386 IonicContact NH2-OE1 3.64Å; R357-E386 PolarHBondContact NH2-OE1 2.7Å; R357-E386 IonicContact NH2-OE2 3.78Å; R357-E386 PolarHBondContact NH2-OE2 2.92Å; R357-A387 HydrophobicContact CB-CB 3.89Å; R357-A387 HydrophobicContact CG-CB 4.18Å; R357-L390 HydrophobicContact CB-CD1 3.81Å; R357-L390 HydrophobicContact CG-CD1 4.17Å
358	Y	98	Very high	97.2	Very high	17 Å²	17	35.9 Å²	35.9	7%	0.067	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-38.3	172.4	-179.7	-101.3	0	0	0	112.3	P354 A356 A361 Q362 Y384 L397 L400	P354-Y358 VanDerWaalsContact O-CB 3.23Å; P354-Y358 WeakPolarHBondContact O-CB 3.23Å; P354-Y358 PolarHBondContact O-N 2.88Å; A356-Y358 PolarHBondContact O-N 2.97Å; Y358-A361 PolarHBondContact O-N 2.91Å; Y358-Q362 HydrophobicContact CD1-CG 4.35Å; Y358-Q362 HydrophobicContact CE1-CG 3.94Å; Y358-Q362 HydrophobicContact CE2-CG 4.47Å; Y358-Q362 WeakPolarHBondContact O-CG 3.37Å; Y358-Q362 PolarHBondContact O-N 3.14Å; Y358-Y384 HydrophobicContact CD2-CD1 4.04Å; Y358-Y384 HydrophobicContact CD2-CE1 4.06Å; Y358-Y384 HydrophobicContact CE2-CD1 4.11Å; Y358-Y384 AromaticContact CE2-CE1 3.83Å; Y358-Y384 HydrophobicContact CE2-CE1 3.83Å; Y358-L397 HydrophobicContact CD1-CD1 4.47Å; Y358-L397 HydrophobicContact CD2-CG 4.39Å; Y358-L397 HydrophobicContact CG-CD1 4.24Å; Y358-L397 HydrophobicContact CG-CG 4.16Å; Y358-L400 HydrophobicContact CE2-CB 4.31Å
359	G	97.5	Very high	97	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-40.2	175.8	0	0	0	0	0	113.4	R355 A356 R357 C363	R355-G359 PolarHBondContact O-N 2.81Å; A356-G359 WeakPolarHBondContact O-CA 3.48Å; A356-G359 PolarHBondContact O-N 2.89Å; R357-G359 VanDerWaalsContact C-N 3.31Å; R357-G359 PolarHBondContact O-N 3.21Å; G359-C363 PolarHBondContact O-N 3.49Å; G359-C363 VanDerWaalsContact O-N 3.14Å; G359-C363 PolarHBondContact O-SG 3.47Å
360	K	98.1	Very high	96.9	Very high	26 Å²	26	32.8 Å²	32.8	11%	0.113	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-52.3	171.3	-178.8	-174.7	167.3	-76.3	0	110.5	F343 E344 V347 A356 R357 Q362 C363 E364 T383	F343-K360 HydrophobicContact CB-CB 4.03Å; E344-K360 HydrophobicContact CG-CD 4.03Å; E344-K360 HydrophobicContact CG-CG 4.29Å; V347-K360 HydrophobicContact CG2-CB 4.39Å; A356-K360 PolarHBondContact O-N 3.11Å; R357-K360 WeakPolarHBondContact O-CB 3.43Å; R357-K360 PolarHBondContact O-N 2.88Å; K360-Q362 VanDerWaalsContact C-N 3.3Å; K360-Q362 PolarHBondContact O-N 2.68Å; K360-C363 WeakPolarHBondContact O-CA 3.49Å; K360-C363 WeakPolarHBondContact O-CB 3.3Å; K360-C363 PolarHBondContact O-N 3.2Å; K360-E364 IonicContact NZ-OE1 3.68Å; K360-E364 PolarHBondContact NZ-OE1 2.87Å; K360-E364 IonicContact NZ-OE2 3.34Å; K360-E364 PolarHBondContact NZ-OE2 3.21Å; K360-E364 PolarHBondContact O-N 2.91Å; K360-T383 HydrophobicContact CB-CG2 4.16Å; K360-T383 HydrophobicContact CD-CG2 4.01Å; K360-T383 HydrophobicContact CG-CG2 4.13Å; K360-T383 PolarHBondContact NZ-OG1 3.26Å
361	A	98.1	Very high	96.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-54.5	-44	179.3	0	0	0	0	0	112.4	R357 Y358 C363 E364 D365 T383 Y384	R357-A361 PolarHBondContact O-N 3.27Å; Y358-A361 PolarHBondContact O-N 2.91Å; A361-C363 VanDerWaalsContact C-N 3.34Å; A361-C363 PolarHBondContact O-N 2.93Å; A361-E364 PolarHBondContact O-N 3.35Å; A361-D365 WeakPolarHBondContact O-CB 3.36Å; A361-D365 PolarHBondContact O-N 3.49Å; A361-T383 HydrophobicContact CB-CG2 3.8Å; A361-Y384 HydrophobicContact CB-CD1 3.44Å; A361-Y384 VanDerWaalsContact CB-CD1 3.44Å; A361-Y384 HydrophobicContact CB-CD2 4.1Å; A361-Y384 HydrophobicContact CB-CE1 3.57Å; A361-Y384 HydrophobicContact CB-CE2 4.21Å; A361-Y384 HydrophobicContact CB-CG 3.72Å
362	Q	98.3	Very high	96.8	Very high	36 Å²	36	42.9 Å²	42.9	17%	0.168	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-34.1	174.6	-67.9	-166.7	-74.7	0	0	113.5	Y358 K360 D366 Y384	Y358-Q362 HydrophobicContact CD1-CG 4.35Å; Y358-Q362 HydrophobicContact CE1-CG 3.94Å; Y358-Q362 HydrophobicContact CE2-CG 4.47Å; Y358-Q362 WeakPolarHBondContact O-CG 3.37Å; Y358-Q362 PolarHBondContact O-N 3.14Å; K360-Q362 VanDerWaalsContact C-N 3.3Å; K360-Q362 PolarHBondContact O-N 2.68Å; Q362-D366 WeakPolarHBondContact O-CB 3.42Å; Q362-D366 PolarHBondContact O-N 2.82Å; Q362-Y384 HydrophobicContact CG-CE1 4.13Å
363	C	97.6	Very high	96.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-73.6	-32.7	175.9	-58.9	0	0	0	0	112.3	R331 V340 F343 G359 K360 A361 L367	R331-C363 WeakPolarHBondContact CD-SG 3.3Å; V340-C363 HydrophobicContact CB-CB 4.32Å; V340-C363 HydrophobicContact CG2-CB 3.48Å; V340-C363 VanDerWaalsContact CG2-CB 3.48Å; F343-C363 WeakPolarHBondContact CD2-SG 3.46Å; G359-C363 PolarHBondContact O-N 3.49Å; G359-C363 VanDerWaalsContact O-N 3.14Å; G359-C363 PolarHBondContact O-SG 3.47Å; K360-C363 WeakPolarHBondContact O-CA 3.49Å; K360-C363 WeakPolarHBondContact O-CB 3.3Å; K360-C363 PolarHBondContact O-N 3.2Å; A361-C363 VanDerWaalsContact C-N 3.34Å; A361-C363 PolarHBondContact O-N 2.93Å; C363-L367 WeakPolarHBondContact O-CB 3.22Å; C363-L367 PolarHBondContact O-N 3.3Å
364	E	97.9	Very high	96.8	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.019	20%	0.197	C	C	.	.	H	α-helix	trans	-70.3	-37.4	173.2	-69.5	170.6	122.9	0	0	111.5	K360 A361 L367 A368 V376 A380 T383	K360-E364 IonicContact NZ-OE1 3.68Å; K360-E364 PolarHBondContact NZ-OE1 2.87Å; K360-E364 IonicContact NZ-OE2 3.34Å; K360-E364 PolarHBondContact NZ-OE2 3.21Å; K360-E364 PolarHBondContact O-N 2.91Å; A361-E364 PolarHBondContact O-N 3.35Å; E364-L367 PolarHBondContact O-N 3.42Å; E364-A368 VanDerWaalsContact O-CB 3.24Å; E364-A368 WeakPolarHBondContact O-CB 3.35Å; E364-A368 PolarHBondContact O-N 3.42Å; E364-V376 HydrophobicContact CB-CG1 4.32Å; E364-V376 VanDerWaalsContact O-CG1 3.27Å; E364-V376 WeakPolarHBondContact O-CG1 3.47Å; E364-A380 HydrophobicContact CB-CB 3.75Å; E364-T383 WeakPolarHBondContact OE2-CB 3.19Å; E364-T383 PolarHBondContact OE2-OG1 2.84Å
365	D	97.8	Very high	96.7	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-53.2	172.6	-156.2	-22.5	0	0	0	111	A361 L367 A368 E369 A380 Y384 R404 R408	A361-D365 WeakPolarHBondContact O-CB 3.36Å; A361-D365 PolarHBondContact O-N 3.49Å; D365-L367 VanDerWaalsContact C-N 3.28Å; D365-L367 PolarHBondContact O-N 3.01Å; D365-A368 WeakPolarHBondContact O-CB 3.47Å; D365-A368 PolarHBondContact O-N 2.99Å; D365-A368 VanDerWaalsContact O-N 3.15Å; D365-E369 PolarHBondContact O-N 3.18Å; D365-A380 HydrophobicContact CB-CB 4.31Å; D365-Y384 HydrophobicContact CB-CE2 4.27Å; D365-Y384 WeakPolarHBondContact OD2-CE2 3.17Å; D365-Y384 PolarHBondContact OD2-OH 2.87Å; D365-R404 VanDerWaalsContact CG-NH2 3.35Å; D365-R404 IonicContact OD1-CZ 2.89Å; D365-R404 IonicContact OD1-NE 2.71Å; D365-R404 IonicContact OD1-NH2 3.73Å; D365-R404 PolarHBondContact OD1-NH2 2.88Å; D365-R404 WeakPolarHBondContact OD2-CG 3.42Å; D365-R404 IonicContact OD2-CZ 2.74Å; D365-R404 IonicContact OD2-NE 3.19Å; D365-R404 PolarHBondContact OD2-NE 2.88Å; D365-R404 IonicContact OD2-NH2 3.31Å; D365-R404 PolarHBondContact OD2-NH2 3.35Å; D365-R408 WeakPolarHBondContact OD1-CD 3.38Å; D365-R408 IonicContact OD1-NH1 3.1Å
366	D	97	Very high	96.7	Very high	50 Å²	50	47.2 Å²	47.2	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-59.9	-36.6	175.3	-66.6	-0.5	0	0	0	111.7	R331 I336 Q362 K370	R331-D366 WeakPolarHBondContact CD-OD2 3.36Å; R331-D366 WeakPolarHBondContact CG-OD2 3.39Å; R331-D366 IonicContact NE-OD2 3.24Å; R331-D366 PolarHBondContact NE-OD2 2.82Å; R331-D366 VanDerWaalsContact NE-OD2 3.09Å; I336-D366 HydrophobicContact CD1-CB 3.99Å; I336-D366 HydrophobicContact CG1-CB 4.14Å; I336-D366 HydrophobicContact CG2-CB 4.28Å; Q362-D366 WeakPolarHBondContact O-CB 3.42Å; Q362-D366 PolarHBondContact O-N 2.82Å; D366-K370 WeakPolarHBondContact O-CB 3.24Å; D366-K370 PolarHBondContact O-N 2.91Å
367	L	96.4	Very high	96.7	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.11	22%	0.217	C	C	.	.	H	α-helix	trans	-71.7	-37.1	176.4	-174.1	65.8	0	0	0	112.2	I336 V340 C363 E364 D365 K370 Q371 V376	I336-L367 HydrophobicContact CG2-CB 3.75Å; I336-L367 HydrophobicContact CG2-CD1 4.06Å; I336-L367 HydrophobicContact CG2-CG 4.5Å; V340-L367 HydrophobicContact CG2-CD2 4.3Å; C363-L367 WeakPolarHBondContact O-CB 3.22Å; C363-L367 PolarHBondContact O-N 3.3Å; E364-L367 PolarHBondContact O-N 3.42Å; D365-L367 VanDerWaalsContact C-N 3.28Å; D365-L367 PolarHBondContact O-N 3.01Å; L367-K370 PolarHBondContact O-N 2.96Å; L367-Q371 HydrophobicContact CD1-CG 4.01Å; L367-Q371 HydrophobicContact CG-CG 4.26Å; L367-Q371 WeakPolarHBondContact O-CB 3.45Å; L367-Q371 WeakPolarHBondContact O-CG 3.22Å; L367-Q371 PolarHBondContact O-N 3.17Å; L367-V376 HydrophobicContact CB-CG1 4.2Å; L367-V376 HydrophobicContact CD2-CG1 4.17Å; L367-V376 HydrophobicContact CG-CG1 4.26Å
368	A	96.8	Very high	96.7	Very high	5 Å²	5	49.2 Å²	49.2	4%	0.041	22%	0.224	C	C	.	.	H	α-helix	trans	-66.1	-40.5	176.5	0	0	0	0	0	111.5	E364 D365 R372 S373 V376 L377	E364-A368 VanDerWaalsContact O-CB 3.24Å; E364-A368 WeakPolarHBondContact O-CB 3.35Å; E364-A368 PolarHBondContact O-N 3.42Å; D365-A368 WeakPolarHBondContact O-CB 3.47Å; D365-A368 PolarHBondContact O-N 2.99Å; D365-A368 VanDerWaalsContact O-N 3.15Å; A368-R372 CarbonylContact O-C 3.58Å; A368-R372 WeakPolarHBondContact O-CA 3.38Å; A368-R372 PolarHBondContact O-N 2.65Å; A368-S373 PolarHBondContact O-N 3.34Å; A368-V376 HydrophobicContact CB-CB 3.8Å; A368-V376 HydrophobicContact CB-CG1 3.93Å; A368-L377 HydrophobicContact CB-CB 3.83Å; A368-L377 HydrophobicContact CB-CD1 3.9Å; A368-L377 HydrophobicContact CB-CG 4.44Å
369	E	94.9	Very high	96.7	Very high	104 Å²	104	53.4 Å²	53.4	49%	0.486	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-42.6	172.5	-68.6	-173.5	179.5	0	0	111	D365 R372 R404 R408	D365-E369 PolarHBondContact O-N 3.18Å; E369-R372 PolarHBondContact O-N 3.08Å; E369-R404 IonicContact OE1-NH2 3.57Å; E369-R404 PolarHBondContact OE1-NH2 3.05Å; E369-R408 IonicContact OE1-CZ 3.35Å; E369-R408 IonicContact OE1-NH1 3.23Å; E369-R408 PolarHBondContact OE1-NH1 3.49Å
370	K	94.3	Very high	96.7	Very high	114 Å²	114	53.4 Å²	53.4	50%	0.496	24%	0.239	S	C	.	.	H	α-helix	trans	-62.7	-44.8	175.8	-176.9	-179.6	-179.2	-177.1	0	113.6	I336 E337 D366 L367	I336-K370 HydrophobicContact CD1-CB 4.47Å; I336-K370 HydrophobicContact CD1-CD 4.09Å; E337-K370 WeakPolarHBondContact OE1-CE 3.34Å; E337-K370 IonicContact OE1-NZ 3.95Å; E337-K370 PolarHBondContact OE1-NZ 3.25Å; E337-K370 IonicContact OE2-NZ 2.68Å; E337-K370 PolarHBondContact OE2-NZ 2.74Å; D366-K370 WeakPolarHBondContact O-CB 3.24Å; D366-K370 PolarHBondContact O-N 2.91Å; L367-K370 PolarHBondContact O-N 2.96Å
371	Q	94.8	Very high	96.7	Very high	108 Å²	108	52.8 Å²	52.8	51%	0.505	24%	0.237	S	C	.	.	H	α-helix	trans	-87.2	-8.2	-178.6	-66.6	-175	-10.9	0	0	113.4	L367 S373	L367-Q371 HydrophobicContact CD1-CG 4.01Å; L367-Q371 HydrophobicContact CG-CG 4.26Å; L367-Q371 WeakPolarHBondContact O-CB 3.45Å; L367-Q371 WeakPolarHBondContact O-CG 3.22Å; L367-Q371 PolarHBondContact O-N 3.17Å; Q371-S373 PolarHBondContact O-N 3.34Å
372	R	94.1	Very high	96.7	Very high	230 Å²	230	58.3 Å²	58.3	87%	0.868	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.5	-170.2	-57	-177.4	178.3	-174.6	-0.8	112.8	A368 E369	A368-R372 CarbonylContact O-C 3.58Å; A368-R372 WeakPolarHBondContact O-CA 3.38Å; A368-R372 PolarHBondContact O-N 2.65Å; E369-R372 PolarHBondContact O-N 3.08Å
373	S	96.4	Very high	96.7	Very high	35 Å²	35	56.9 Å²	56.9	25%	0.245	26%	0.257	C	S	.	.			trans	-110.7	110.3	-169.6	-177.2	0	0	0	0	112.9	A368 Q371 E375 V376 L377	A368-S373 PolarHBondContact O-N 3.34Å; Q371-S373 PolarHBondContact O-N 3.34Å; S373-E375 PolarHBondContact O-N 3.27Å; S373-V376 PolarHBondContact O-N 3.11Å; S373-L377 PolarHBondContact O-N 3.06Å; S373-L377 VanDerWaalsContact O-N 3.14Å
374	N	95.1	Very high	96.7	Very high	91 Å²	91	57 Å²	57	49%	0.487	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-26.5	175.6	-67	-7.7	0	0	0	112.6	L377 R378 L412	N374-L377 PolarHBondContact O-N 3.01Å; N374-R378 PolarHBondContact O-N 2.92Å; N374-L412 HydrophobicContact CB-CD2 3.82Å
375	E	96.1	Very high	96.7	Very high	93 Å²	93	58.6 Å²	58.6	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-67.4	-45.4	176.8	-172.9	55.7	-119.7	0	0	111.9	S373 L377 R378 R379	S373-E375 PolarHBondContact O-N 3.27Å; E375-L377 PolarHBondContact O-N 3.35Å; E375-R378 PolarHBondContact O-N 2.95Å; E375-R378 IonicContact OE1-NH1 3.93Å; E375-R378 PolarHBondContact OE1-NH1 3.15Å; E375-R378 IonicContact OE2-CZ 2.99Å; E375-R378 IonicContact OE2-NH1 2.8Å; E375-R378 PolarHBondContact OE2-NH1 2.91Å; E375-R378 IonicContact OE2-NH2 3.84Å; E375-R378 PolarHBondContact OE2-NH2 2.89Å; E375-R379 PolarHBondContact O-N 3.28Å
376	V	96.6	Very high	96.7	Very high	3 Å²	3	62 Å²	62	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-36.2	173.5	-171.3	0	0	0	0	109.8	E364 L367 A368 S373 R379 A380	E364-V376 HydrophobicContact CB-CG1 4.32Å; E364-V376 VanDerWaalsContact O-CG1 3.27Å; E364-V376 WeakPolarHBondContact O-CG1 3.47Å; L367-V376 HydrophobicContact CB-CG1 4.2Å; L367-V376 HydrophobicContact CD2-CG1 4.17Å; L367-V376 HydrophobicContact CG-CG1 4.26Å; A368-V376 HydrophobicContact CB-CB 3.8Å; A368-V376 HydrophobicContact CB-CG1 3.93Å; S373-V376 PolarHBondContact O-N 3.11Å; V376-R379 PolarHBondContact O-N 2.67Å; V376-A380 PolarHBondContact O-N 2.97Å
377	L	97.5	Very high	96.6	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-69.6	-35.8	-179.9	-161.3	57.6	0	0	0	113.6	A368 S373 N374 E375 A380 I381 R408 F411 L412	A368-L377 HydrophobicContact CB-CB 3.83Å; A368-L377 HydrophobicContact CB-CD1 3.9Å; A368-L377 HydrophobicContact CB-CG 4.44Å; S373-L377 PolarHBondContact O-N 3.06Å; S373-L377 VanDerWaalsContact O-N 3.14Å; N374-L377 PolarHBondContact O-N 3.01Å; E375-L377 PolarHBondContact O-N 3.35Å; L377-A380 HydrophobicContact CD1-CB 4.36Å; L377-A380 WeakPolarHBondContact O-CB 3.46Å; L377-A380 PolarHBondContact O-N 3.05Å; L377-I381 HydrophobicContact CG-CD1 4.45Å; L377-I381 WeakPolarHBondContact O-CG1 3.46Å; L377-I381 PolarHBondContact O-N 2.88Å; L377-R408 HydrophobicContact CD1-CB 4.32Å; L377-R408 HydrophobicContact CD1-CG 4.1Å; L377-R408 HydrophobicContact CG-CB 4.45Å; L377-F411 HydrophobicContact CD2-CD1 3.55Å; L377-F411 HydrophobicContact CD2-CE1 3.91Å; L377-L412 HydrophobicContact CB-CD1 4.47Å; L377-L412 HydrophobicContact CD2-CD1 4.42Å; L377-L412 HydrophobicContact CD2-CD2 4Å; L377-L412 HydrophobicContact CD2-CG 4.03Å; L377-L412 HydrophobicContact CG-CD1 4.43Å
378	R	97.6	Very high	96.6	Very high	91 Å²	91	59 Å²	59	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-61.1	-44.6	172.1	-77.4	-167.4	-94	87.4	1.3	111.2	N374 E375 A380 I381 E382 L412	N374-R378 PolarHBondContact O-N 2.92Å; E375-R378 PolarHBondContact O-N 2.95Å; E375-R378 IonicContact OE1-NH1 3.93Å; E375-R378 PolarHBondContact OE1-NH1 3.15Å; E375-R378 IonicContact OE2-CZ 2.99Å; E375-R378 IonicContact OE2-NH1 2.8Å; E375-R378 PolarHBondContact OE2-NH1 2.91Å; E375-R378 IonicContact OE2-NH2 3.84Å; E375-R378 PolarHBondContact OE2-NH2 2.89Å; R378-A380 VanDerWaalsContact C-N 3.33Å; R378-A380 PolarHBondContact O-N 2.82Å; R378-I381 WeakPolarHBondContact O-CB 3.31Å; R378-I381 PolarHBondContact O-N 3.31Å; R378-I381 VanDerWaalsContact O-N 3.17Å; R378-E382 PolarHBondContact O-N 3.02Å; R378-L412 HydrophobicContact CG-CD1 3.69Å
379	R	97.3	Very high	96.5	Very high	105 Å²	105	62 Å²	62	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-62.9	-34	173.8	-66.9	-173.3	-71.8	140.1	-8.9	113.8	E375 V376 T383	E375-R379 PolarHBondContact O-N 3.28Å; V376-R379 PolarHBondContact O-N 2.67Å; R379-T383 WeakPolarHBondContact O-CB 3.35Å; R379-T383 PolarHBondContact O-N 3.09Å; R379-T383 PolarHBondContact O-OG1 3.28Å
380	A	98	Very high	96.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-45.2	172.1	0	0	0	0	0	111.9	E364 D365 V376 L377 R378 E382 T383 Y384	E364-A380 HydrophobicContact CB-CB 3.75Å; D365-A380 HydrophobicContact CB-CB 4.31Å; V376-A380 PolarHBondContact O-N 2.97Å; L377-A380 HydrophobicContact CD1-CB 4.36Å; L377-A380 WeakPolarHBondContact O-CB 3.46Å; L377-A380 PolarHBondContact O-N 3.05Å; R378-A380 VanDerWaalsContact C-N 3.33Å; R378-A380 PolarHBondContact O-N 2.82Å; A380-E382 VanDerWaalsContact C-N 3.28Å; A380-E382 PolarHBondContact O-N 3.06Å; A380-T383 PolarHBondContact O-N 3.13Å; A380-Y384 HydrophobicContact CB-CE2 4.42Å; A380-Y384 WeakPolarHBondContact O-CD2 3.23Å; A380-Y384 PolarHBondContact O-N 2.94Å
381	I	98.1	Very high	96.2	Very high	13 Å²	13	56.8 Å²	56.8	7%	0.067	27%	0.271	C	S	.	.	H	α-helix	trans	-57.9	-39.2	176.7	-75	164	0	0	0	111.8	L377 R378 Q385 R405 R408 Q409 L412	L377-I381 HydrophobicContact CG-CD1 4.45Å; L377-I381 WeakPolarHBondContact O-CG1 3.46Å; L377-I381 PolarHBondContact O-N 2.88Å; R378-I381 WeakPolarHBondContact O-CB 3.31Å; R378-I381 PolarHBondContact O-N 3.31Å; R378-I381 VanDerWaalsContact O-N 3.17Å; I381-Q385 PolarHBondContact O-N 3.14Å; I381-R405 HydrophobicContact CG2-CG 3.94Å; I381-R405 VanDerWaalsContact O-CD 3.3Å; I381-R405 WeakPolarHBondContact O-CD 3.22Å; I381-R405 WeakPolarHBondContact O-CG 3.21Å; I381-R405 PolarHBondContact O-NE 3.39Å; I381-R408 HydrophobicContact CD1-CB 3.85Å; I381-R408 HydrophobicContact CG1-CB 3.62Å; I381-Q409 HydrophobicContact CD1-CG 4.15Å; I381-Q409 HydrophobicContact CG1-CG 4.41Å; I381-Q409 HydrophobicContact CG2-CG 3.78Å; I381-L412 HydrophobicContact CD1-CD1 3.58Å; I381-L412 HydrophobicContact CD1-CG 4.41Å
382	E	97.9	Very high	96	Very high	115 Å²	115	57.1 Å²	57.1	54%	0.537	28%	0.277	S	S	.	.	H	α-helix	trans	-68.6	-50.2	173.2	-72.3	162	-161.7	0	0	111.6	R378 A380 Y384 Q385 E386	R378-E382 PolarHBondContact O-N 3.02Å; A380-E382 VanDerWaalsContact C-N 3.28Å; A380-E382 PolarHBondContact O-N 3.06Å; E382-Y384 PolarHBondContact O-N 3.35Å; E382-Q385 WeakPolarHBondContact O-CA 3.35Å; E382-Q385 VanDerWaalsContact O-CB 3.26Å; E382-Q385 WeakPolarHBondContact O-CB 3.5Å; E382-Q385 PolarHBondContact O-N 3.05Å; E382-E386 WeakPolarHBondContact O-CG 3.45Å; E382-E386 PolarHBondContact O-N 3.4Å
383	T	98.1	Very high	96	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-30.3	-178.4	-52.8	0	0	0	0	112.1	R357 K360 A361 E364 R379 A380 A387	R357-T383 HydrophobicContact CG-CG2 4.04Å; R357-T383 WeakPolarHBondContact O-CG2 3.36Å; K360-T383 HydrophobicContact CB-CG2 4.16Å; K360-T383 HydrophobicContact CD-CG2 4.01Å; K360-T383 HydrophobicContact CG-CG2 4.13Å; K360-T383 PolarHBondContact NZ-OG1 3.26Å; A361-T383 HydrophobicContact CB-CG2 3.8Å; E364-T383 WeakPolarHBondContact OE2-CB 3.19Å; E364-T383 PolarHBondContact OE2-OG1 2.84Å; R379-T383 WeakPolarHBondContact O-CB 3.35Å; R379-T383 PolarHBondContact O-N 3.09Å; R379-T383 PolarHBondContact O-OG1 3.28Å; A380-T383 PolarHBondContact O-N 3.13Å; T383-A387 WeakPolarHBondContact O-CB 3.49Å; T383-A387 PolarHBondContact O-N 2.85Å
384	Y	98.4	Very high	96	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-66.6	-33.5	167.9	-75.4	-56.8	0	0	0	113.5	Y358 A361 Q362 D365 A380 E382 A388 S401 R404	Y358-Y384 HydrophobicContact CD2-CD1 4.04Å; Y358-Y384 HydrophobicContact CD2-CE1 4.06Å; Y358-Y384 HydrophobicContact CE2-CD1 4.11Å; Y358-Y384 AromaticContact CE2-CE1 3.83Å; Y358-Y384 HydrophobicContact CE2-CE1 3.83Å; A361-Y384 HydrophobicContact CB-CD1 3.44Å; A361-Y384 VanDerWaalsContact CB-CD1 3.44Å; A361-Y384 HydrophobicContact CB-CD2 4.1Å; A361-Y384 HydrophobicContact CB-CE1 3.57Å; A361-Y384 HydrophobicContact CB-CE2 4.21Å; A361-Y384 HydrophobicContact CB-CG 3.72Å; Q362-Y384 HydrophobicContact CG-CE1 4.13Å; D365-Y384 HydrophobicContact CB-CE2 4.27Å; D365-Y384 WeakPolarHBondContact OD2-CE2 3.17Å; D365-Y384 PolarHBondContact OD2-OH 2.87Å; A380-Y384 HydrophobicContact CB-CE2 4.42Å; A380-Y384 WeakPolarHBondContact O-CD2 3.23Å; A380-Y384 PolarHBondContact O-N 2.94Å; E382-Y384 PolarHBondContact O-N 3.35Å; Y384-A388 WeakPolarHBondContact O-CB 3.43Å; Y384-A388 PolarHBondContact O-N 2.91Å; Y384-S401 WeakPolarHBondContact CA-OG 3.47Å; Y384-S401 PolarHBondContact O-OG 2.63Å; Y384-R404 HydrophobicContact CE1-CB 4.41Å; Y384-R404 HydrophobicContact CE1-CG 4.25Å; Y384-R404 HydrophobicContact CE2-CB 4.41Å; Y384-R404 HydrophobicContact CE2-CG 3.72Å; Y384-R404 WeakPolarHBondContact OH-CG 3.29Å
385	Q	97.3	Very high	96	Very high	36 Å²	36	46.5 Å²	46.5	17%	0.168	24%	0.242	C	C	.	.	H	α-helix	trans	-70.6	-41.6	175	-176.3	49.5	52.3	0	0	111.2	I381 E382 A388 S389	I381-Q385 PolarHBondContact O-N 3.14Å; E382-Q385 WeakPolarHBondContact O-CA 3.35Å; E382-Q385 VanDerWaalsContact O-CB 3.26Å; E382-Q385 WeakPolarHBondContact O-CB 3.5Å; E382-Q385 PolarHBondContact O-N 3.05Å; Q385-A388 PolarHBondContact O-N 3.35Å; Q385-S389 PolarHBondContact NE2-OG 2.73Å; Q385-S389 WeakPolarHBondContact O-CB 3.28Å; Q385-S389 PolarHBondContact O-N 3.24Å; Q385-S389 VanDerWaalsContact O-N 3.17Å; Q385-S389 PolarHBondContact O-OG 2.7Å
386	E	96.9	Very high	95.9	Very high	73 Å²	73	44.9 Å²	44.9	34%	0.341	24%	0.236	S	C	.	.	H	α-helix	trans	-61.2	-49.7	174.7	-62	179.9	125.3	0	0	111.3	R357 E382 A388 S389 L390	R357-E386 HydrophobicContact CG-CB 4.05Å; R357-E386 IonicContact CZ-OE1 3.87Å; R357-E386 IonicContact CZ-OE2 3.44Å; R357-E386 IonicContact NE-OE1 2.67Å; R357-E386 IonicContact NE-OE2 2.72Å; R357-E386 PolarHBondContact NE-OE2 3.4Å; R357-E386 IonicContact NH2-OE1 3.64Å; R357-E386 PolarHBondContact NH2-OE1 2.7Å; R357-E386 IonicContact NH2-OE2 3.78Å; R357-E386 PolarHBondContact NH2-OE2 2.92Å; E382-E386 WeakPolarHBondContact O-CG 3.45Å; E382-E386 PolarHBondContact O-N 3.4Å; E386-A388 PolarHBondContact O-N 3.29Å; E386-S389 WeakPolarHBondContact O-CA 3.34Å; E386-S389 PolarHBondContact O-N 3.22Å; E386-L390 PolarHBondContact O-N 3.29Å; E386-L390 VanDerWaalsContact O-N 3.09Å
387	A	96.4	Very high	95.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.8	-32	179	0	0	0	0	0	113.1	R357 T383	R357-A387 HydrophobicContact CB-CB 3.89Å; R357-A387 HydrophobicContact CG-CB 4.18Å; T383-A387 WeakPolarHBondContact O-CB 3.49Å; T383-A387 PolarHBondContact O-N 2.85Å
388	A	95.7	Very high	95.8	Very high	9 Å²	9	45.4 Å²	45.4	7%	0.074	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-8.1	174.2	0	0	0	0	0	114.6	Y384 Q385 E386 V398 L402	Y384-A388 WeakPolarHBondContact O-CB 3.43Å; Y384-A388 PolarHBondContact O-N 2.91Å; Q385-A388 PolarHBondContact O-N 3.35Å; E386-A388 PolarHBondContact O-N 3.29Å; A388-V398 HydrophobicContact CB-CG1 4.35Å; A388-L402 HydrophobicContact CB-CD1 4.26Å; A388-L402 HydrophobicContact CB-CD2 3.58Å; A388-L402 HydrophobicContact CB-CG 3.66Å
389	S	95.1	Very high	95.8	Very high	66 Å²	66	43.6 Å²	43.6	46%	0.462	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-8.7	-177.3	-52.2	0	0	0	0	113.6	Q385 E386	Q385-S389 PolarHBondContact NE2-OG 2.73Å; Q385-S389 WeakPolarHBondContact O-CB 3.28Å; Q385-S389 PolarHBondContact O-N 3.24Å; Q385-S389 VanDerWaalsContact O-N 3.17Å; Q385-S389 PolarHBondContact O-OG 2.7Å; E386-S389 WeakPolarHBondContact O-CA 3.34Å; E386-S389 PolarHBondContact O-N 3.22Å
390	L	94.7	Very high	95.7	Very high	31 Å²	31	41.8 Å²	41.8	16%	0.162	23%	0.232	C	C	.	.	S	Bend	trans	-66.7	148.1	175.2	-76.6	171.8	0	0	0	112.5	P354 R357 E386 A393	P354-L390 HydrophobicContact CB-CB 4.48Å; P354-L390 HydrophobicContact CG-CB 4.15Å; R357-L390 HydrophobicContact CB-CD1 3.81Å; R357-L390 HydrophobicContact CG-CD1 4.17Å; E386-L390 PolarHBondContact O-N 3.29Å; E386-L390 VanDerWaalsContact O-N 3.09Å; L390-A393 VanDerWaalsContact O-CB 3.26Å; L390-A393 WeakPolarHBondContact O-CB 3.49Å; L390-A393 PolarHBondContact O-N 3.1Å
391	P	89.1	Confident	95.7	Very high	78 Å²	78	41.8 Å²	41.8	51%	0.506	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	153.6	176.5	29.5	-35.8	0	0	0	111.9	A393	P391-A393 PolarHBondContact O-N 2.7Å
392	D	90.5	Very high	95.7	Very high	116 Å²	116	41.2 Å²	41.2	62%	0.62	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	22.7	-174.8	-81.8	-4.9	0	0	0	114.2	N314 P394	N314-D392 HydrophobicContact CB-CB 4.36Å; N314-D392 WeakPolarHBondContact CB-O 3.3Å; N314-D392 PolarHBondContact ND2-O 2.88Å; D392-P394 WeakPolarHBondContact O-CD 3.32Å
393	A	93.5	Very high	95.6	Very high	23 Å²	23	38.5 Å²	38.5	19%	0.19	22%	0.215	C	C	.	.			trans	-59.5	122.7	174.2	0	0	0	0	0	111.2	P354 L390 P391 T395 V398	P354-A393 HydrophobicContact CB-CB 4.05Å; P354-A393 HydrophobicContact CG-CB 4.09Å; L390-A393 VanDerWaalsContact O-CB 3.26Å; L390-A393 WeakPolarHBondContact O-CB 3.49Å; L390-A393 PolarHBondContact O-N 3.1Å; P391-A393 PolarHBondContact O-N 2.7Å; A393-T395 PolarHBondContact O-N 2.85Å; A393-V398 HydrophobicContact CB-CG2 3.55Å
394	P	95.9	Very high	95.6	Very high	17 Å²	17	40.9 Å²	40.9	11%	0.11	22%	0.224	C	C	.	.			trans	-63	136.9	-179.2	-23.2	33.7	0	0	0	111.8	K311 N314 D392 D396 L397 V398	K311-P394 WeakPolarHBondContact O-CB 3.46Å; N314-P394 HydrophobicContact CB-CG 3.93Å; D392-P394 WeakPolarHBondContact O-CD 3.32Å; P394-D396 VanDerWaalsContact C-N 3.25Å; P394-D396 PolarHBondContact O-N 3.27Å; P394-D396 VanDerWaalsContact O-N 3.13Å; P394-L397 HydrophobicContact CB-CB 4.2Å; P394-L397 HydrophobicContact CG-CB 4.47Å; P394-L397 WeakPolarHBondContact O-CA 3.44Å; P394-L397 WeakPolarHBondContact O-CB 3.36Å; P394-L397 PolarHBondContact O-N 2.87Å; P394-V398 PolarHBondContact O-N 3.03Å
395	T	94.4	Very high	95.6	Very high	92 Å²	92	42.9 Å²	42.9	56%	0.564	23%	0.231	S	C	*	.	H	α-helix	trans	-49	-43.3	-177.7	-47.7	0	0	0	0	113.6	A393 K399 F429	A393-T395 PolarHBondContact O-N 2.85Å; T395-K399 PolarHBondContact O-N 2.8Å; T395-K399 VanDerWaalsContact O-N 3.16Å; T395-F429 HydrophobicContact CG2-CE1 3.51Å; T395-F429 HydrophobicContact CG2-CZ 3.99Å
396	D	94.6	Very high	95.6	Very high	59 Å²	59	41.3 Å²	41.3	32%	0.316	22%	0.224	S	C	.	.	H	α-helix	trans	-69.6	-32.1	178.6	-57.8	-22.8	0	0	0	112.5	P310 K311 L312 P394 L400	P310-D396 HydrophobicContact CB-CB 3.79Å; K311-D396 PolarHBondContact N-OD2 3.22Å; L312-D396 HydrophobicContact CD2-CB 4.33Å; P394-D396 VanDerWaalsContact C-N 3.25Å; P394-D396 PolarHBondContact O-N 3.27Å; P394-D396 VanDerWaalsContact O-N 3.13Å; D396-L400 WeakPolarHBondContact O-CG 3.38Å; D396-L400 PolarHBondContact O-N 2.75Å
397	L	96.3	Very high	95.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-73.5	-44.3	176.6	-179.3	153.4	0	0	0	110.8	L312 P354 R355 Y358 P394 K399 L400 S401	L312-L397 HydrophobicContact CD2-CB 4.1Å; P354-L397 HydrophobicContact CB-CD1 4.3Å; P354-L397 HydrophobicContact CB-CD2 4.08Å; R355-L397 HydrophobicContact CB-CD1 4.28Å; Y358-L397 HydrophobicContact CD1-CD1 4.47Å; Y358-L397 HydrophobicContact CD2-CG 4.39Å; Y358-L397 HydrophobicContact CG-CD1 4.24Å; Y358-L397 HydrophobicContact CG-CG 4.16Å; P394-L397 HydrophobicContact CB-CB 4.2Å; P394-L397 HydrophobicContact CG-CB 4.47Å; P394-L397 WeakPolarHBondContact O-CA 3.44Å; P394-L397 WeakPolarHBondContact O-CB 3.36Å; P394-L397 PolarHBondContact O-N 2.87Å; L397-K399 VanDerWaalsContact C-N 3.27Å; L397-K399 PolarHBondContact O-N 3.31Å; L397-L400 PolarHBondContact O-N 2.74Å; L397-S401 VanDerWaalsContact O-CB 3.22Å; L397-S401 WeakPolarHBondContact O-CB 3.23Å; L397-S401 PolarHBondContact O-N 2.78Å
398	V	96.7	Very high	95.7	Very high	19 Å²	19	42.4 Å²	42.4	12%	0.115	23%	0.228	C	C	.	.	H	α-helix	trans	-56.4	-44.4	175.3	175.5	0	0	0	0	110.5	A388 A393 P394 L402 L428	A388-V398 HydrophobicContact CB-CG1 4.35Å; A393-V398 HydrophobicContact CB-CG2 3.55Å; P394-V398 PolarHBondContact O-N 3.03Å; V398-L402 HydrophobicContact CG1-CD1 4.03Å; V398-L402 WeakPolarHBondContact O-CB 3.38Å; V398-L402 WeakPolarHBondContact O-CG 3.41Å; V398-L402 PolarHBondContact O-N 2.81Å; V398-L428 HydrophobicContact CG1-CD1 4.09Å
399	K	96.3	Very high	95.7	Very high	53 Å²	53	42.4 Å²	42.4	23%	0.23	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-52.3	176.7	-174	173.5	-66.4	-170.3	0	112.5	T395 L397 K403 L425 F429 D432 L435	T395-K399 PolarHBondContact O-N 2.8Å; T395-K399 VanDerWaalsContact O-N 3.16Å; L397-K399 VanDerWaalsContact C-N 3.27Å; L397-K399 PolarHBondContact O-N 3.31Å; K399-K403 WeakPolarHBondContact O-CB 3.38Å; K399-K403 PolarHBondContact O-N 3.03Å; K399-L425 HydrophobicContact CG-CD2 4.32Å; K399-F429 HydrophobicContact CB-CD2 4.38Å; K399-F429 HydrophobicContact CB-CE2 3.64Å; K399-F429 HydrophobicContact CB-CZ 3.83Å; K399-F429 HydrophobicContact CD-CD2 4.49Å; K399-F429 VanDerWaalsContact CE-CD2 3.49Å; K399-F429 VanDerWaalsContact CE-CG 3.42Å; K399-F429 HydrophobicContact CG-CD2 4.28Å; K399-F429 HydrophobicContact CG-CE2 4.02Å; K399-D432 IonicContact NZ-OD2 3.74Å; K399-D432 PolarHBondContact NZ-OD2 3.32Å; K399-L435 HydrophobicContact CD-CD1 4.03Å; K399-L435 HydrophobicContact CG-CD1 4.17Å
400	L	96.3	Very high	95.7	Very high	68 Å²	68	41.6 Å²	41.6	36%	0.356	22%	0.215	S	C	.	.	H	α-helix	trans	-64	-43	-178.9	-71.5	168.8	0	0	0	112.2	L312 Y358 D396 L397 K403 R404	L312-L400 HydrophobicContact CD2-CD1 3.73Å; Y358-L400 HydrophobicContact CE2-CB 4.31Å; D396-L400 WeakPolarHBondContact O-CG 3.38Å; D396-L400 PolarHBondContact O-N 2.75Å; L397-L400 PolarHBondContact O-N 2.74Å; L400-K403 PolarHBondContact O-N 3.01Å; L400-R404 WeakPolarHBondContact O-CB 3.41Å; L400-R404 PolarHBondContact O-N 3.4Å
401	S	97.3	Very high	95.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-48.7	179.4	-156.4	0	0	0	0	111.5	Y384 L397 R405	Y384-S401 WeakPolarHBondContact CA-OG 3.47Å; Y384-S401 PolarHBondContact O-OG 2.63Å; L397-S401 VanDerWaalsContact O-CB 3.22Å; L397-S401 WeakPolarHBondContact O-CB 3.23Å; L397-S401 PolarHBondContact O-N 2.78Å; S401-R405 VanDerWaalsContact O-CB 3.25Å; S401-R405 WeakPolarHBondContact O-CB 3.36Å; S401-R405 PolarHBondContact O-N 3.07Å
402	L	97.8	Very high	95.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-71.9	-34.1	178.2	-65.1	178.5	0	0	0	112.9	A388 V398 R405 S406 T421 R424 L425 L428	A388-L402 HydrophobicContact CB-CD1 4.26Å; A388-L402 HydrophobicContact CB-CD2 3.58Å; A388-L402 HydrophobicContact CB-CG 3.66Å; V398-L402 HydrophobicContact CG1-CD1 4.03Å; V398-L402 WeakPolarHBondContact O-CB 3.38Å; V398-L402 WeakPolarHBondContact O-CG 3.41Å; V398-L402 PolarHBondContact O-N 2.81Å; L402-R405 PolarHBondContact O-N 2.78Å; L402-S406 PolarHBondContact O-N 2.91Å; L402-T421 HydrophobicContact CB-CG2 4.09Å; L402-T421 HydrophobicContact CD2-CG2 4.29Å; L402-T421 WeakPolarHBondContact O-CG2 3.34Å; L402-R424 HydrophobicContact CD1-CG 4.44Å; L402-L425 HydrophobicContact CB-CD1 3.97Å; L402-L425 HydrophobicContact CB-CD2 3.8Å; L402-L425 HydrophobicContact CB-CG 3.73Å; L402-L425 HydrophobicContact CD1-CD2 4.47Å; L402-L425 HydrophobicContact CD1-CG 4.42Å; L402-L428 HydrophobicContact CD1-CD1 4.03Å
403	K	97.3	Very high	96.1	Very high	58 Å²	58	40.9 Å²	40.9	25%	0.252	21%	0.213	S	C	.	.	H	α-helix	trans	-65.6	-50.6	176.6	-172.9	-178.1	166.2	65.7	0	110.7	K399 L400 R405 S406 E407 L425 D438	K399-K403 WeakPolarHBondContact O-CB 3.38Å; K399-K403 PolarHBondContact O-N 3.03Å; L400-K403 PolarHBondContact O-N 3.01Å; K403-R405 VanDerWaalsContact C-N 3.32Å; K403-R405 PolarHBondContact O-N 2.93Å; K403-S406 WeakPolarHBondContact O-CB 3.36Å; K403-S406 PolarHBondContact O-N 2.77Å; K403-E407 VanDerWaalsContact CE-OE1 3.29Å; K403-E407 WeakPolarHBondContact CE-OE1 3.19Å; K403-E407 WeakPolarHBondContact CG-OE1 3.34Å; K403-E407 IonicContact NZ-OE1 3.09Å; K403-E407 WeakPolarHBondContact O-CG 3.47Å; K403-E407 PolarHBondContact O-N 2.93Å; K403-L425 HydrophobicContact CB-CD1 4.36Å; K403-D438 IonicContact NZ-OD1 3.8Å; K403-D438 PolarHBondContact NZ-OD1 2.54Å; K403-D438 IonicContact NZ-OD2 2.71Å; K403-D438 PolarHBondContact NZ-OD2 3.23Å
404	R	97.7	Very high	96.1	Very high	56 Å²	56	44.2 Å²	44.2	21%	0.211	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-37.7	176.7	-174.7	57.4	175.9	-164.6	-2.2	111.7	D365 E369 Y384 L400 S406 E407 R408	D365-R404 VanDerWaalsContact CG-NH2 3.35Å; D365-R404 IonicContact OD1-CZ 2.89Å; D365-R404 IonicContact OD1-NE 2.71Å; D365-R404 IonicContact OD1-NH2 3.73Å; D365-R404 PolarHBondContact OD1-NH2 2.88Å; D365-R404 WeakPolarHBondContact OD2-CG 3.42Å; D365-R404 IonicContact OD2-CZ 2.74Å; D365-R404 IonicContact OD2-NE 3.19Å; D365-R404 PolarHBondContact OD2-NE 2.88Å; D365-R404 IonicContact OD2-NH2 3.31Å; D365-R404 PolarHBondContact OD2-NH2 3.35Å; E369-R404 IonicContact OE1-NH2 3.57Å; E369-R404 PolarHBondContact OE1-NH2 3.05Å; Y384-R404 HydrophobicContact CE1-CB 4.41Å; Y384-R404 HydrophobicContact CE1-CG 4.25Å; Y384-R404 HydrophobicContact CE2-CB 4.41Å; Y384-R404 HydrophobicContact CE2-CG 3.72Å; Y384-R404 WeakPolarHBondContact OH-CG 3.29Å; L400-R404 WeakPolarHBondContact O-CB 3.41Å; L400-R404 PolarHBondContact O-N 3.4Å; R404-S406 VanDerWaalsContact C-N 3.33Å; R404-S406 PolarHBondContact O-N 3.35Å; R404-E407 WeakPolarHBondContact CD-OE2 3.12Å; R404-E407 IonicContact NH1-OE2 3.19Å; R404-E407 PolarHBondContact O-N 3.17Å; R404-R408 HydrophobicContact CG-CG 4.34Å; R404-R408 VanDerWaalsContact CZ-CZ 3.49Å; R404-R408 VanDerWaalsContact O-CG 3.28Å; R404-R408 WeakPolarHBondContact O-CG 3.3Å; R404-R408 PolarHBondContact O-N 2.77Å
405	R	98.1	Very high	96.1	Very high	46 Å²	46	45.8 Å²	45.8	17%	0.174	23%	0.231	C	C	.	.	H	α-helix	trans	-54.1	-48.6	170.3	-173.6	179.3	172.9	-110.1	-17.5	111.7	I381 S401 L402 K403 R408 Q409 T421	I381-R405 HydrophobicContact CG2-CG 3.94Å; I381-R405 VanDerWaalsContact O-CD 3.3Å; I381-R405 WeakPolarHBondContact O-CD 3.22Å; I381-R405 WeakPolarHBondContact O-CG 3.21Å; I381-R405 PolarHBondContact O-NE 3.39Å; S401-R405 VanDerWaalsContact O-CB 3.25Å; S401-R405 WeakPolarHBondContact O-CB 3.36Å; S401-R405 PolarHBondContact O-N 3.07Å; L402-R405 PolarHBondContact O-N 2.78Å; K403-R405 VanDerWaalsContact C-N 3.32Å; K403-R405 PolarHBondContact O-N 2.93Å; R405-R408 PolarHBondContact O-N 3.27Å; R405-Q409 WeakPolarHBondContact O-CB 3.31Å; R405-Q409 VanDerWaalsContact O-CG 3.27Å; R405-Q409 WeakPolarHBondContact O-CG 3.31Å; R405-Q409 PolarHBondContact O-N 3.4Å; R405-Q409 PolarHBondContact O-OE1 3.05Å; R405-T421 HydrophobicContact CB-CG2 4.4Å; R405-T421 PolarHBondContact NH1-OG1 3.3Å
406	S	97.6	Very high	96.1	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-46.9	176.9	-178.5	0	0	0	0	112.5	L402 K403 R404 R408 Q409 Q410 S418 L422	L402-S406 PolarHBondContact O-N 2.91Å; K403-S406 WeakPolarHBondContact O-CB 3.36Å; K403-S406 PolarHBondContact O-N 2.77Å; R404-S406 VanDerWaalsContact C-N 3.33Å; R404-S406 PolarHBondContact O-N 3.35Å; S406-R408 VanDerWaalsContact C-N 3.26Å; S406-R408 PolarHBondContact O-N 2.72Å; S406-Q409 PolarHBondContact O-N 3.27Å; S406-Q410 WeakPolarHBondContact O-CG 3.22Å; S406-Q410 PolarHBondContact O-N 2.63Å; S406-S418 PolarHBondContact OG-OG 2.74Å; S406-L422 WeakPolarHBondContact OG-CG 3.38Å
407	E	96.6	Very high	96.2	Very high	64 Å²	64	49 Å²	49	30%	0.299	24%	0.235	S	C	.	.	H	α-helix	trans	-56	-40.1	176.9	-68.1	164.9	-164.6	0	0	112.2	K403 R404 F411	K403-E407 VanDerWaalsContact CE-OE1 3.29Å; K403-E407 WeakPolarHBondContact CE-OE1 3.19Å; K403-E407 WeakPolarHBondContact CG-OE1 3.34Å; K403-E407 IonicContact NZ-OE1 3.09Å; K403-E407 WeakPolarHBondContact O-CG 3.47Å; K403-E407 PolarHBondContact O-N 2.93Å; R404-E407 WeakPolarHBondContact CD-OE2 3.12Å; R404-E407 IonicContact NH1-OE2 3.19Å; R404-E407 PolarHBondContact O-N 3.17Å; E407-F411 PolarHBondContact O-N 3.41Å; E407-F411 VanDerWaalsContact O-N 3.12Å
408	R	97.6	Very high	96.2	Very high	33 Å²	33	49 Å²	49	13%	0.125	24%	0.235	C	C	.	.	H	α-helix	trans	-77.3	-32.9	178.8	-63.6	-60.9	92.3	163.3	-1.7	112.9	D365 E369 L377 I381 R404 R405 S406 F411 L412	D365-R408 WeakPolarHBondContact OD1-CD 3.38Å; D365-R408 IonicContact OD1-NH1 3.1Å; E369-R408 IonicContact OE1-CZ 3.35Å; E369-R408 IonicContact OE1-NH1 3.23Å; E369-R408 PolarHBondContact OE1-NH1 3.49Å; L377-R408 HydrophobicContact CD1-CB 4.32Å; L377-R408 HydrophobicContact CD1-CG 4.1Å; L377-R408 HydrophobicContact CG-CB 4.45Å; I381-R408 HydrophobicContact CD1-CB 3.85Å; I381-R408 HydrophobicContact CG1-CB 3.62Å; R404-R408 HydrophobicContact CG-CG 4.34Å; R404-R408 VanDerWaalsContact CZ-CZ 3.49Å; R404-R408 VanDerWaalsContact O-CG 3.28Å; R404-R408 WeakPolarHBondContact O-CG 3.3Å; R404-R408 PolarHBondContact O-N 2.77Å; R405-R408 PolarHBondContact O-N 3.27Å; S406-R408 VanDerWaalsContact C-N 3.26Å; S406-R408 PolarHBondContact O-N 2.72Å; R408-F411 PolarHBondContact O-N 3.18Å; R408-L412 PolarHBondContact O-N 2.84Å; R408-L412 VanDerWaalsContact O-N 3.16Å
409	Q	97.3	Very high	96.2	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.037	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-43.5	169.8	-73.6	175.5	-67.9	0	0	111.5	I381 R405 S406 L412 G413 H414 G417 T421	I381-Q409 HydrophobicContact CD1-CG 4.15Å; I381-Q409 HydrophobicContact CG1-CG 4.41Å; I381-Q409 HydrophobicContact CG2-CG 3.78Å; R405-Q409 WeakPolarHBondContact O-CB 3.31Å; R405-Q409 VanDerWaalsContact O-CG 3.27Å; R405-Q409 WeakPolarHBondContact O-CG 3.31Å; R405-Q409 PolarHBondContact O-N 3.4Å; R405-Q409 PolarHBondContact O-OE1 3.05Å; S406-Q409 PolarHBondContact O-N 3.27Å; Q409-L412 PolarHBondContact O-N 2.85Å; Q409-G413 PolarHBondContact O-N 3.02Å; Q409-H414 HydrophobicContact CB-CB 4.21Å; Q409-H414 WeakPolarHBondContact O-CA 3.11Å; Q409-H414 WeakPolarHBondContact O-CB 3.45Å; Q409-H414 PolarHBondContact O-N 3.01Å; Q409-G417 PolarHBondContact NE2-O 3.47Å; Q409-G417 PolarHBondContact OE1-O 2.94Å; Q409-T421 PolarHBondContact OE1-OG1 2.93Å
410	Q	95	Very high	96.2	Very high	50 Å²	50	51.7 Å²	51.7	23%	0.234	25%	0.251	C	S	.	.	H	α-helix	trans	-62.6	-42.6	175.2	-68.9	175.7	-1.3	0	0	111.8	S406 L412 G413 M415 S418 L445	S406-Q410 WeakPolarHBondContact O-CG 3.22Å; S406-Q410 PolarHBondContact O-N 2.63Å; Q410-L412 VanDerWaalsContact C-N 3.3Å; Q410-L412 PolarHBondContact O-N 2.86Å; Q410-G413 PolarHBondContact O-N 3.26Å; Q410-M415 HydrophobicContact CB-SD 4.16Å; Q410-M415 HydrophobicContact CG-SD 4.07Å; Q410-S418 VanDerWaalsContact CG-OG 3.27Å; Q410-S418 WeakPolarHBondContact CG-OG 3.48Å; Q410-S418 PolarHBondContact NE2-OG 3.43Å; Q410-L445 HydrophobicContact CG-CD1 4.09Å
411	F	94.5	Very high	96.3	Very high	130 Å²	130	48.5 Å²	48.5	57%	0.57	23%	0.234	S	C	*	.	H	α-helix	trans	-58.7	-37.1	176.7	178.6	-92	0	0	0	113.4	L377 E407 R408 G413	L377-F411 HydrophobicContact CD2-CD1 3.55Å; L377-F411 HydrophobicContact CD2-CE1 3.91Å; E407-F411 PolarHBondContact O-N 3.41Å; E407-F411 VanDerWaalsContact O-N 3.12Å; R408-F411 PolarHBondContact O-N 3.18Å; F411-G413 VanDerWaalsContact C-N 3.29Å; F411-G413 PolarHBondContact O-N 2.95Å
412	L	93.4	Very high	96.3	Very high	32 Å²	32	48.7 Å²	48.7	17%	0.168	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.8	174.5	-68.9	-178.5	0	0	0	114.2	N374 L377 R378 I381 R408 Q409 Q410 H414	N374-L412 HydrophobicContact CB-CD2 3.82Å; L377-L412 HydrophobicContact CB-CD1 4.47Å; L377-L412 HydrophobicContact CD2-CD1 4.42Å; L377-L412 HydrophobicContact CD2-CD2 4Å; L377-L412 HydrophobicContact CD2-CG 4.03Å; L377-L412 HydrophobicContact CG-CD1 4.43Å; R378-L412 HydrophobicContact CG-CD1 3.69Å; I381-L412 HydrophobicContact CD1-CD1 3.58Å; I381-L412 HydrophobicContact CD1-CG 4.41Å; R408-L412 PolarHBondContact O-N 2.84Å; R408-L412 VanDerWaalsContact O-N 3.16Å; Q409-L412 PolarHBondContact O-N 2.85Å; Q410-L412 VanDerWaalsContact C-N 3.3Å; Q410-L412 PolarHBondContact O-N 2.86Å; L412-H414 PolarHBondContact O-CD2 3.43Å
413	G	93.1	Very high	96.3	Very high	48 Å²	48	51.3 Å²	51.3	50%	0.495	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	5.1	-174.1	0	0	0	0	0	114.9	Q409 Q410 F411 M415	Q409-G413 PolarHBondContact O-N 3.02Å; Q410-G413 PolarHBondContact O-N 3.26Å; F411-G413 VanDerWaalsContact C-N 3.29Å; F411-G413 PolarHBondContact O-N 2.95Å; G413-M415 PolarHBondContact O-N 3.31Å
414	H	94.7	Very high	96.3	Very high	92 Å²	92	53.1 Å²	53.1	43%	0.426	25%	0.252	S	S	.	.			trans	-79	54.4	-177.2	-65	-150.8	0	0	0	111.5	Q409 L412 R416 G417 S418	Q409-H414 HydrophobicContact CB-CB 4.21Å; Q409-H414 WeakPolarHBondContact O-CA 3.11Å; Q409-H414 WeakPolarHBondContact O-CB 3.45Å; Q409-H414 PolarHBondContact O-N 3.01Å; L412-H414 PolarHBondContact O-CD2 3.43Å; H414-R416 PolarHBondContact O-N 3.35Å; H414-G417 WeakPolarHBondContact O-CA 3.34Å; H414-G417 PolarHBondContact O-N 2.89Å; H414-S418 PolarHBondContact O-N 3.03Å
415	M	95	Very high	96.2	Very high	51 Å²	51	50.5 Å²	50.5	25%	0.251	24%	0.242	S	C	.	.	H	α-helix	trans	-58.1	-45.6	-168.6	-58.5	-50	-178.6	0	0	113.2	Q410 G413 G417 S418 L419 L445 M446	Q410-M415 HydrophobicContact CB-SD 4.16Å; Q410-M415 HydrophobicContact CG-SD 4.07Å; G413-M415 PolarHBondContact O-N 3.31Å; M415-G417 VanDerWaalsContact C-N 3.26Å; M415-G417 PolarHBondContact O-N 3.17Å; M415-S418 WeakPolarHBondContact O-CB 3.19Å; M415-S418 PolarHBondContact O-N 2.9Å; M415-S418 VanDerWaalsContact O-N 3.14Å; M415-L419 PolarHBondContact O-N 2.72Å; M415-L445 HydrophobicContact CE-CD2 4.43Å; M415-L445 HydrophobicContact CG-CB 4.41Å; M415-L445 HydrophobicContact SD-CB 4.1Å; M415-L445 HydrophobicContact SD-CD1 4.06Å; M415-M446 HydrophobicContact CB-CG 4.29Å; M415-M446 HydrophobicContact CB-SD 3.51Å; M415-M446 VanDerWaalsContact CB-SD 3.51Å
416	R	95.1	Very high	96.2	Very high	196 Å²	196	49.3 Å²	49.3	74%	0.74	24%	0.24	S	C	*	.	H	α-helix	trans	-60.1	-36.4	174.8	-173.4	175	-178.6	165.4	-0.4	112.4	H414 L419 L420 M446	H414-R416 PolarHBondContact O-N 3.35Å; R416-L419 PolarHBondContact O-N 3.33Å; R416-L420 WeakPolarHBondContact O-CG 3.46Å; R416-L420 PolarHBondContact O-N 3.28Å; R416-M446 HydrophobicContact CB-CE 4.47Å; R416-M446 HydrophobicContact CB-SD 4.17Å; R416-M446 PolarHBondContact N-SD 2.87Å
417	G	95.6	Very high	96.1	Very high	22 Å²	22	56.2 Å²	56.2	23%	0.227	27%	0.272	C	S	.	.	H	α-helix	trans	-69.3	-37.9	175.5	0	0	0	0	0	113	Q409 H414 M415 T421	Q409-G417 PolarHBondContact NE2-O 3.47Å; Q409-G417 PolarHBondContact OE1-O 2.94Å; H414-G417 WeakPolarHBondContact O-CA 3.34Å; H414-G417 PolarHBondContact O-N 2.89Å; M415-G417 VanDerWaalsContact C-N 3.26Å; M415-G417 PolarHBondContact O-N 3.17Å; G417-T421 PolarHBondContact O-N 3.03Å; G417-T421 PolarHBondContact O-OG1 3.22Å
418	S	97.4	Very high	96.1	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-45.9	171.4	163.2	0	0	0	0	111.5	S406 Q410 H414 M415 L420 T421 L422	S406-S418 PolarHBondContact OG-OG 2.74Å; Q410-S418 VanDerWaalsContact CG-OG 3.27Å; Q410-S418 WeakPolarHBondContact CG-OG 3.48Å; Q410-S418 PolarHBondContact NE2-OG 3.43Å; H414-S418 PolarHBondContact O-N 3.03Å; M415-S418 WeakPolarHBondContact O-CB 3.19Å; M415-S418 PolarHBondContact O-N 2.9Å; M415-S418 VanDerWaalsContact O-N 3.14Å; S418-L420 VanDerWaalsContact C-N 3.33Å; S418-L420 PolarHBondContact O-N 2.98Å; S418-T421 CarbonylContact O-C 3.23Å; S418-T421 WeakPolarHBondContact O-CA 3.44Å; S418-T421 VanDerWaalsContact O-CB 3.31Å; S418-T421 WeakPolarHBondContact O-CB 3.43Å; S418-T421 PolarHBondContact O-N 3.25Å; S418-L422 WeakPolarHBondContact O-CG 3.45Å; S418-L422 PolarHBondContact O-N 3.01Å; S418-L422 WeakPolarHBondContact OG-CD1 3.26Å
419	L	96.8	Very high	96	Very high	22 Å²	22	56.9 Å²	56.9	12%	0.115	28%	0.278	C	S	.	.	H	α-helix	trans	-57.3	-44.2	-178.7	-178.8	59.9	0	0	0	112.1	M415 R416 T421 L422 Q423 L439 Y443 M446	M415-L419 PolarHBondContact O-N 2.72Å; R416-L419 PolarHBondContact O-N 3.33Å; L419-T421 VanDerWaalsContact C-N 3.32Å; L419-T421 PolarHBondContact O-N 3.42Å; L419-L422 PolarHBondContact O-N 3.23Å; L419-Q423 HydrophobicContact CD1-CG 4.42Å; L419-Q423 WeakPolarHBondContact O-CB 3.14Å; L419-Q423 VanDerWaalsContact O-CG 3.32Å; L419-Q423 WeakPolarHBondContact O-CG 3.4Å; L419-Q423 PolarHBondContact O-N 3.1Å; L419-L439 HydrophobicContact CD1-CD1 3.59Å; L419-Y443 HydrophobicContact CD1-CD1 3.83Å; L419-Y443 HydrophobicContact CD1-CD2 4.28Å; L419-Y443 HydrophobicContact CD1-CE1 3.77Å; L419-Y443 HydrophobicContact CD1-CE2 4.24Å; L419-Y443 HydrophobicContact CD1-CG 4.08Å; L419-Y443 HydrophobicContact CD2-CD1 3.95Å; L419-Y443 HydrophobicContact CD2-CE1 3.87Å; L419-Y443 HydrophobicContact CG-CE1 4.35Å; L419-M446 HydrophobicContact CD2-CG 4.14Å
420	L	96.9	Very high	95.9	Very high	106 Å²	106	60.7 Å²	60.7	56%	0.555	30%	0.304	S	S	*	.	H	α-helix	trans	-61.8	-38	174.4	-67.6	170.1	0	0	0	112.5	R416 S418 R424	R416-L420 WeakPolarHBondContact O-CG 3.46Å; R416-L420 PolarHBondContact O-N 3.28Å; S418-L420 VanDerWaalsContact C-N 3.33Å; S418-L420 PolarHBondContact O-N 2.98Å; L420-R424 WeakPolarHBondContact O-CB 3.2Å; L420-R424 PolarHBondContact O-N 3.46Å; L420-R424 VanDerWaalsContact O-N 3.08Å
421	T	97.8	Very high	95.7	Very high	1 Å²	1	64 Å²	64	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-66.3	-39.9	175.2	-55.9	0	0	0	0	111.7	L402 R405 Q409 G417 S418 L419 R424 L425	L402-T421 HydrophobicContact CB-CG2 4.09Å; L402-T421 HydrophobicContact CD2-CG2 4.29Å; L402-T421 WeakPolarHBondContact O-CG2 3.34Å; R405-T421 HydrophobicContact CB-CG2 4.4Å; R405-T421 PolarHBondContact NH1-OG1 3.3Å; Q409-T421 PolarHBondContact OE1-OG1 2.93Å; G417-T421 PolarHBondContact O-N 3.03Å; G417-T421 PolarHBondContact O-OG1 3.22Å; S418-T421 CarbonylContact O-C 3.23Å; S418-T421 WeakPolarHBondContact O-CA 3.44Å; S418-T421 VanDerWaalsContact O-CB 3.31Å; S418-T421 WeakPolarHBondContact O-CB 3.43Å; S418-T421 PolarHBondContact O-N 3.25Å; L419-T421 VanDerWaalsContact C-N 3.32Å; L419-T421 PolarHBondContact O-N 3.42Å; T421-R424 PolarHBondContact O-N 3.36Å; T421-L425 PolarHBondContact O-N 2.84Å
422	L	97.9	Very high	95.7	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.016	32%	0.315	C	S	.	.	H	α-helix	trans	-70.2	-41.9	177.6	-69.4	166.1	0	0	0	112.4	S406 S418 L419 R424 L425 V426 D438 L439	S406-L422 WeakPolarHBondContact OG-CG 3.38Å; S418-L422 WeakPolarHBondContact O-CG 3.45Å; S418-L422 PolarHBondContact O-N 3.01Å; S418-L422 WeakPolarHBondContact OG-CD1 3.26Å; L419-L422 PolarHBondContact O-N 3.23Å; L422-R424 VanDerWaalsContact C-N 3.34Å; L422-R424 PolarHBondContact O-N 3.14Å; L422-L425 HydrophobicContact CD2-CD1 4.23Å; L422-L425 WeakPolarHBondContact O-CB 3.44Å; L422-L425 PolarHBondContact O-N 2.95Å; L422-V426 PolarHBondContact O-N 3.34Å; L422-D438 HydrophobicContact CD2-CB 3.67Å; L422-L439 HydrophobicContact CB-CB 4.25Å; L422-L439 HydrophobicContact CB-CD1 3.81Å
423	Q	97.4	Very high	95.8	Very high	55 Å²	55	59.7 Å²	59.7	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-58.9	-45.4	172.6	-73.1	172.7	-11.9	0	0	110.9	L419 L425 V426 Q427 L439 Y443	L419-Q423 HydrophobicContact CD1-CG 4.42Å; L419-Q423 WeakPolarHBondContact O-CB 3.14Å; L419-Q423 VanDerWaalsContact O-CG 3.32Å; L419-Q423 WeakPolarHBondContact O-CG 3.4Å; L419-Q423 PolarHBondContact O-N 3.1Å; Q423-L425 PolarHBondContact O-N 2.8Å; Q423-V426 PolarHBondContact O-N 3.19Å; Q423-Q427 WeakPolarHBondContact O-CB 3.37Å; Q423-Q427 VanDerWaalsContact O-CG 3.25Å; Q423-Q427 WeakPolarHBondContact O-CG 3.32Å; Q423-Q427 PolarHBondContact O-N 3.32Å; Q423-L439 HydrophobicContact CG-CD1 3.8Å; Q423-Y443 PolarHBondContact NE2-OH 2.98Å
424	R	96.5	Very high	95.8	Very high	97 Å²	97	61.4 Å²	61.4	37%	0.366	32%	0.318	S	S	.	.	H	α-helix	trans	-63.5	-37.2	174.7	-177.7	171.9	173.2	173.5	-5.9	112.6	L402 L420 T421 L422 L428	L402-R424 HydrophobicContact CD1-CG 4.44Å; L420-R424 WeakPolarHBondContact O-CB 3.2Å; L420-R424 PolarHBondContact O-N 3.46Å; L420-R424 VanDerWaalsContact O-N 3.08Å; T421-R424 PolarHBondContact O-N 3.36Å; L422-R424 VanDerWaalsContact C-N 3.34Å; L422-R424 PolarHBondContact O-N 3.14Å; R424-L428 HydrophobicContact CG-CD1 4.15Å; R424-L428 VanDerWaalsContact O-CG 3.28Å; R424-L428 WeakPolarHBondContact O-CG 3.12Å; R424-L428 PolarHBondContact O-N 2.83Å; R424-L428 VanDerWaalsContact O-N 3.09Å
425	L	96.4	Very high	95.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.2	-49.7	173.5	-89.9	162.1	0	0	0	111.8	K399 L402 K403 T421 L422 Q423 Q427 L428 F429 L435	K399-L425 HydrophobicContact CG-CD2 4.32Å; L402-L425 HydrophobicContact CB-CD1 3.97Å; L402-L425 HydrophobicContact CB-CD2 3.8Å; L402-L425 HydrophobicContact CB-CG 3.73Å; L402-L425 HydrophobicContact CD1-CD2 4.47Å; L402-L425 HydrophobicContact CD1-CG 4.42Å; K403-L425 HydrophobicContact CB-CD1 4.36Å; T421-L425 PolarHBondContact O-N 2.84Å; L422-L425 HydrophobicContact CD2-CD1 4.23Å; L422-L425 WeakPolarHBondContact O-CB 3.44Å; L422-L425 PolarHBondContact O-N 2.95Å; Q423-L425 PolarHBondContact O-N 2.8Å; L425-Q427 VanDerWaalsContact C-N 3.34Å; L425-Q427 PolarHBondContact O-N 3.08Å; L425-L428 PolarHBondContact O-N 2.71Å; L425-F429 HydrophobicContact CD2-CD2 3.98Å; L425-F429 HydrophobicContact CD2-CE2 4.07Å; L425-F429 WeakPolarHBondContact O-CB 3.43Å; L425-F429 VanDerWaalsContact O-CD2 3.3Å; L425-F429 WeakPolarHBondContact O-CD2 3.44Å; L425-F429 PolarHBondContact O-N 3.21Å; L425-L435 HydrophobicContact CB-CD1 4.41Å; L425-L435 HydrophobicContact CB-CD2 4.4Å; L425-L435 HydrophobicContact CD1-CD2 4.19Å; L425-L435 HydrophobicContact CD2-CD1 4.08Å; L425-L435 HydrophobicContact CD2-CD2 4.12Å; L425-L435 HydrophobicContact CG-CD2 4.49Å
426	V	97.1	Very high	96	Very high	21 Å²	21	56.2 Å²	56.2	13%	0.127	29%	0.293	C	S	.	.	H	α-helix	trans	-66.7	-35.2	179.9	174.3	0	0	0	0	111.7	L422 Q423 L428 F429 P430 L435 K436 L439	L422-V426 PolarHBondContact O-N 3.34Å; Q423-V426 PolarHBondContact O-N 3.19Å; V426-L428 VanDerWaalsContact C-N 3.35Å; V426-L428 PolarHBondContact O-N 2.87Å; V426-F429 CarbonylContact O-C 3.6Å; V426-F429 VanDerWaalsContact O-C 3.23Å; V426-F429 PolarHBondContact O-N 2.94Å; V426-P430 VanDerWaalsContact O-CA 3.23Å; V426-P430 WeakPolarHBondContact O-CA 3.46Å; V426-L435 HydrophobicContact CG2-CB 4.18Å; V426-L435 VanDerWaalsContact CG2-O 3.3Å; V426-L435 WeakPolarHBondContact CG2-O 3.47Å; V426-K436 HydrophobicContact CG1-CG 4.07Å; V426-K436 HydrophobicContact CG2-CG 4.3Å; V426-L439 HydrophobicContact CB-CD2 4.14Å; V426-L439 HydrophobicContact CG1-CD2 4.4Å; V426-L439 HydrophobicContact CG2-CB 4.01Å; V426-L439 HydrophobicContact CG2-CD2 3.8Å
427	Q	96.3	Very high	96.1	Very high	149 Å²	149	47.3 Å²	47.3	70%	0.696	26%	0.26	S	S	*	.	H	α-helix	trans	-62.5	-38.3	172.2	-73.1	168.5	7.6	0	0	113	Q423 L425	Q423-Q427 WeakPolarHBondContact O-CB 3.37Å; Q423-Q427 VanDerWaalsContact O-CG 3.25Å; Q423-Q427 WeakPolarHBondContact O-CG 3.32Å; Q423-Q427 PolarHBondContact O-N 3.32Å; L425-Q427 VanDerWaalsContact C-N 3.34Å; L425-Q427 PolarHBondContact O-N 3.08Å
428	L	95.4	Very high	96.1	Very high	86 Å²	86	47.8 Å²	47.8	45%	0.45	26%	0.257	S	S	.	.	H	α-helix	trans	-77.6	-24.1	175.9	-68.8	170.5	0	0	0	112.9	V398 L402 R424 L425 V426	V398-L428 HydrophobicContact CG1-CD1 4.09Å; L402-L428 HydrophobicContact CD1-CD1 4.03Å; R424-L428 HydrophobicContact CG-CD1 4.15Å; R424-L428 VanDerWaalsContact O-CG 3.28Å; R424-L428 WeakPolarHBondContact O-CG 3.12Å; R424-L428 PolarHBondContact O-N 2.83Å; R424-L428 VanDerWaalsContact O-N 3.09Å; L425-L428 PolarHBondContact O-N 2.71Å; V426-L428 VanDerWaalsContact C-N 3.35Å; V426-L428 PolarHBondContact O-N 2.87Å
429	F	95.9	Very high	96.1	Very high	24 Å²	24	48.3 Å²	48.3	11%	0.105	26%	0.26	C	S	.	.			trans	-134.8	57.6	-172.8	-58.1	-60.8	0	0	0	113	T395 K399 L425 V426 S431 D432 L435	T395-F429 HydrophobicContact CG2-CE1 3.51Å; T395-F429 HydrophobicContact CG2-CZ 3.99Å; K399-F429 HydrophobicContact CB-CD2 4.38Å; K399-F429 HydrophobicContact CB-CE2 3.64Å; K399-F429 HydrophobicContact CB-CZ 3.83Å; K399-F429 HydrophobicContact CD-CD2 4.49Å; K399-F429 VanDerWaalsContact CE-CD2 3.49Å; K399-F429 VanDerWaalsContact CE-CG 3.42Å; K399-F429 HydrophobicContact CG-CD2 4.28Å; K399-F429 HydrophobicContact CG-CE2 4.02Å; L425-F429 HydrophobicContact CD2-CD2 3.98Å; L425-F429 HydrophobicContact CD2-CE2 4.07Å; L425-F429 WeakPolarHBondContact O-CB 3.43Å; L425-F429 VanDerWaalsContact O-CD2 3.3Å; L425-F429 WeakPolarHBondContact O-CD2 3.44Å; L425-F429 PolarHBondContact O-N 3.21Å; V426-F429 CarbonylContact O-C 3.6Å; V426-F429 VanDerWaalsContact O-C 3.23Å; V426-F429 PolarHBondContact O-N 2.94Å; F429-S431 PolarHBondContact O-N 3.34Å; F429-D432 HydrophobicContact CB-CB 4.02Å; F429-D432 WeakPolarHBondContact O-CB 3.4Å; F429-D432 PolarHBondContact O-N 2.84Å; F429-L435 HydrophobicContact CB-CD1 3.58Å; F429-L435 HydrophobicContact CD2-CD1 3.64Å; F429-L435 HydrophobicContact CG-CD1 3.88Å
430	P	94.8	Very high	96.1	Very high	89 Å²	89	47.2 Å²	47.2	58%	0.578	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.5	-169.2	26	-36.2	0	0	0	114.8	V426	V426-P430 VanDerWaalsContact O-CA 3.23Å; V426-P430 WeakPolarHBondContact O-CA 3.46Å
431	S	92.6	Very high	96.1	Very high	118 Å²	118	43.8 Å²	43.8	83%	0.825	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	8.5	176.8	70.6	0	0	0	0	114.1	F429	F429-S431 PolarHBondContact O-N 3.34Å
432	D	94.1	Very high	96	Very high	37 Å²	37	43.8 Å²	43.8	20%	0.198	24%	0.238	C	C	.	.			trans	-101	101.6	-178.8	-167	-48.4	0	0	0	109.8	K399 F429 T434 L435 K436	K399-D432 IonicContact NZ-OD2 3.74Å; K399-D432 PolarHBondContact NZ-OD2 3.32Å; F429-D432 HydrophobicContact CB-CB 4.02Å; F429-D432 WeakPolarHBondContact O-CB 3.4Å; F429-D432 PolarHBondContact O-N 2.84Å; D432-T434 VanDerWaalsContact C-N 3.28Å; D432-T434 PolarHBondContact O-N 2.97Å; D432-T434 WeakPolarHBondContact OD1-CB 3.39Å; D432-T434 PolarHBondContact OD1-N 3.48Å; D432-L435 HydrophobicContact CB-CB 4.17Å; D432-L435 HydrophobicContact CB-CD1 3.95Å; D432-L435 HydrophobicContact CB-CG 4.18Å; D432-L435 PolarHBondContact O-N 3.27Å; D432-L435 PolarHBondContact OD1-N 2.75Å; D432-K436 PolarHBondContact O-N 2.96Å
433	T	93.9	Very high	96	Very high	35 Å²	35	45.3 Å²	45.3	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-66.6	-30.6	-178.1	55.7	0	0	0	0	112.1	L435 K436 N437 V459 T463	T433-L435 VanDerWaalsContact C-N 3.35Å; T433-L435 PolarHBondContact O-N 3.11Å; T433-K436 WeakPolarHBondContact O-CB 3.42Å; T433-K436 PolarHBondContact O-N 3.44Å; T433-N437 WeakPolarHBondContact O-CB 3.21Å; T433-N437 PolarHBondContact O-N 2.86Å; T433-V459 HydrophobicContact CG2-CG1 4.43Å; T433-T463 HydrophobicContact CG2-CG2 4.17Å
434	T	94.6	Very high	95.9	Very high	84 Å²	84	44.3 Å²	44.3	52%	0.515	24%	0.24	S	C	.	.	H	α-helix	trans	-65.4	-39.5	176.8	-44.3	0	0	0	0	111.2	D432 N437 D438	D432-T434 VanDerWaalsContact C-N 3.28Å; D432-T434 PolarHBondContact O-N 2.97Å; D432-T434 WeakPolarHBondContact OD1-CB 3.39Å; D432-T434 PolarHBondContact OD1-N 3.48Å; T434-N437 WeakPolarHBondContact O-CB 3.23Å; T434-N437 PolarHBondContact O-N 3.37Å; T434-D438 VanDerWaalsContact O-CG 3.3Å; T434-D438 PolarHBondContact O-N 3.42Å
435	L	96.3	Very high	95.7	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-70.9	-28.8	173.8	-67.2	175.8	0	0	0	113.3	K399 L425 V426 F429 D432 T433 L439	K399-L435 HydrophobicContact CD-CD1 4.03Å; K399-L435 HydrophobicContact CG-CD1 4.17Å; L425-L435 HydrophobicContact CB-CD1 4.41Å; L425-L435 HydrophobicContact CB-CD2 4.4Å; L425-L435 HydrophobicContact CD1-CD2 4.19Å; L425-L435 HydrophobicContact CD2-CD1 4.08Å; L425-L435 HydrophobicContact CD2-CD2 4.12Å; L425-L435 HydrophobicContact CG-CD2 4.49Å; V426-L435 HydrophobicContact CG2-CB 4.18Å; V426-L435 VanDerWaalsContact CG2-O 3.3Å; V426-L435 WeakPolarHBondContact CG2-O 3.47Å; F429-L435 HydrophobicContact CB-CD1 3.58Å; F429-L435 HydrophobicContact CD2-CD1 3.64Å; F429-L435 HydrophobicContact CG-CD1 3.88Å; D432-L435 HydrophobicContact CB-CB 4.17Å; D432-L435 HydrophobicContact CB-CD1 3.95Å; D432-L435 HydrophobicContact CB-CG 4.18Å; D432-L435 PolarHBondContact O-N 3.27Å; D432-L435 PolarHBondContact OD1-N 2.75Å; T433-L435 VanDerWaalsContact C-N 3.35Å; T433-L435 PolarHBondContact O-N 3.11Å; L435-L439 WeakPolarHBondContact O-CB 3.13Å; L435-L439 PolarHBondContact O-N 3.27Å
436	K	96.9	Very high	95.6	Very high	31 Å²	31	47.7 Å²	47.7	14%	0.135	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-42.7	168.4	-70.8	-165.2	178.4	-165.6	0	111.6	V426 D432 T433 L439 G440 V455 E458 V459	V426-K436 HydrophobicContact CG1-CG 4.07Å; V426-K436 HydrophobicContact CG2-CG 4.3Å; D432-K436 PolarHBondContact O-N 2.96Å; T433-K436 WeakPolarHBondContact O-CB 3.42Å; T433-K436 PolarHBondContact O-N 3.44Å; K436-L439 WeakPolarHBondContact O-CB 3.18Å; K436-L439 PolarHBondContact O-N 3.17Å; K436-L439 VanDerWaalsContact O-N 3.14Å; K436-G440 PolarHBondContact O-N 2.68Å; K436-V455 HydrophobicContact CB-CG1 4.17Å; K436-V455 WeakPolarHBondContact O-CG1 3.47Å; K436-E458 IonicContact NZ-OE2 3.92Å; K436-E458 PolarHBondContact NZ-OE2 3.38Å; K436-V459 HydrophobicContact CB-CG2 3.48Å; K436-V459 VanDerWaalsContact CB-CG2 3.48Å; K436-V459 HydrophobicContact CD-CG2 3.92Å; K436-V459 HydrophobicContact CG-CG2 4.34Å
437	N	96.8	Very high	95.3	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.043	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-45	174.3	-79.2	-6.7	0	0	0	111.6	T433 T434 L439 G440 V441 Y456 D466 F468	T433-N437 WeakPolarHBondContact O-CB 3.21Å; T433-N437 PolarHBondContact O-N 2.86Å; T434-N437 WeakPolarHBondContact O-CB 3.23Å; T434-N437 PolarHBondContact O-N 3.37Å; N437-L439 VanDerWaalsContact C-N 3.31Å; N437-L439 PolarHBondContact O-N 2.85Å; N437-G440 PolarHBondContact O-N 2.77Å; N437-G440 VanDerWaalsContact O-N 3.17Å; N437-V441 PolarHBondContact O-N 2.86Å; N437-V441 VanDerWaalsContact O-N 3.1Å; N437-Y456 HydrophobicContact CB-CE1 4.47Å; N437-Y456 PolarHBondContact O-OH 3.14Å; N437-D466 PolarHBondContact ND2-OD1 2.97Å; N437-D466 PolarHBondContact ND2-OD2 3.26Å; N437-F468 HydrophobicContact CB-CD1 3.55Å; N437-F468 HydrophobicContact CB-CE1 3.65Å; N437-F468 HydrophobicContact CB-CG 4.48Å; N437-F468 WeakPolarHBondContact ND2-CD1 3.4Å
438	D	96.6	Very high	95.3	Very high	32 Å²	32	44.9 Å²	44.9	17%	0.171	26%	0.264	C	S	.	.	H	α-helix	trans	-56.9	-42.8	172.2	-67.5	-40.1	0	0	0	111.7	K403 L422 T434 V441 G442	K403-D438 IonicContact NZ-OD1 3.8Å; K403-D438 PolarHBondContact NZ-OD1 2.54Å; K403-D438 IonicContact NZ-OD2 2.71Å; K403-D438 PolarHBondContact NZ-OD2 3.23Å; L422-D438 HydrophobicContact CD2-CB 3.67Å; T434-D438 VanDerWaalsContact O-CG 3.3Å; T434-D438 PolarHBondContact O-N 3.42Å; D438-V441 PolarHBondContact O-N 3.34Å; D438-G442 PolarHBondContact O-N 2.76Å
439	L	97.7	Very high	95.2	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.063	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-38.5	176.4	174.8	62.2	0	0	0	112.5	L419 L422 Q423 V426 L435 K436 N437 V441 G442 Y443 V455	L419-L439 HydrophobicContact CD1-CD1 3.59Å; L422-L439 HydrophobicContact CB-CB 4.25Å; L422-L439 HydrophobicContact CB-CD1 3.81Å; Q423-L439 HydrophobicContact CG-CD1 3.8Å; V426-L439 HydrophobicContact CB-CD2 4.14Å; V426-L439 HydrophobicContact CG1-CD2 4.4Å; V426-L439 HydrophobicContact CG2-CB 4.01Å; V426-L439 HydrophobicContact CG2-CD2 3.8Å; L435-L439 WeakPolarHBondContact O-CB 3.13Å; L435-L439 PolarHBondContact O-N 3.27Å; K436-L439 WeakPolarHBondContact O-CB 3.18Å; K436-L439 PolarHBondContact O-N 3.17Å; K436-L439 VanDerWaalsContact O-N 3.14Å; N437-L439 VanDerWaalsContact C-N 3.31Å; N437-L439 PolarHBondContact O-N 2.85Å; L439-V441 VanDerWaalsContact C-N 3.34Å; L439-G442 WeakPolarHBondContact O-CA 3.26Å; L439-G442 PolarHBondContact O-N 2.97Å; L439-G442 VanDerWaalsContact O-N 3.12Å; L439-Y443 HydrophobicContact CD1-CD2 4.1Å; L439-Y443 HydrophobicContact CD1-CE2 3.64Å; L439-Y443 HydrophobicContact CD2-CE2 4.19Å; L439-Y443 HydrophobicContact CG-CD2 4.11Å; L439-Y443 HydrophobicContact CG-CE2 3.72Å; L439-Y443 VanDerWaalsContact O-CD2 3.31Å; L439-Y443 WeakPolarHBondContact O-CD2 3.43Å; L439-Y443 PolarHBondContact O-N 3.11Å; L439-V455 HydrophobicContact CD2-CG2 4.31Å; L439-V455 HydrophobicContact CG-CG2 4.42Å
440	G	97.1	Very high	95.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-42.8	174.1	0	0	0	0	0	112.1	K436 N437 G442 Y443 L444 Y456	K436-G440 PolarHBondContact O-N 2.68Å; N437-G440 PolarHBondContact O-N 2.77Å; N437-G440 VanDerWaalsContact O-N 3.17Å; G440-G442 VanDerWaalsContact C-N 3.34Å; G440-Y443 PolarHBondContact O-N 2.96Å; G440-L444 WeakPolarHBondContact O-CG 3.16Å; G440-L444 PolarHBondContact O-N 2.73Å; G440-L444 VanDerWaalsContact O-N 3.13Å; G440-Y456 VanDerWaalsContact C-OH 3.26Å
441	V	96.4	Very high	95.3	Very high	33 Å²	33	43.3 Å²	43.3	20%	0.2	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-39.8	171.6	178.4	0	0	0	0	111.3	N437 D438 L439 Y443 L444 L445 Y456 F468	N437-V441 PolarHBondContact O-N 2.86Å; N437-V441 VanDerWaalsContact O-N 3.1Å; D438-V441 PolarHBondContact O-N 3.34Å; L439-V441 VanDerWaalsContact C-N 3.34Å; V441-Y443 VanDerWaalsContact C-N 3.29Å; V441-Y443 PolarHBondContact O-N 3.31Å; V441-L444 PolarHBondContact O-N 2.92Å; V441-L444 VanDerWaalsContact O-N 3.14Å; V441-L445 HydrophobicContact CG1-CD1 3.98Å; V441-L445 HydrophobicContact CG1-CG 4.21Å; V441-L445 WeakPolarHBondContact O-CG 3.24Å; V441-L445 PolarHBondContact O-N 2.98Å; V441-Y456 WeakPolarHBondContact CG2-OH 3.34Å; V441-Y456 PolarHBondContact N-OH 3.33Å; V441-Y456 VanDerWaalsContact N-OH 3.11Å; V441-F468 HydrophobicContact CG2-CE1 3.95Å; V441-F468 HydrophobicContact CG2-CZ 3.78Å
442	G	96.4	Very high	95.6	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-36.9	175.5	0	0	0	0	0	114	D438 L439 G440	D438-G442 PolarHBondContact O-N 2.76Å; L439-G442 WeakPolarHBondContact O-CA 3.26Å; L439-G442 PolarHBondContact O-N 2.97Å; L439-G442 VanDerWaalsContact O-N 3.12Å; G440-G442 VanDerWaalsContact C-N 3.34Å
443	Y	97.6	Very high	95.8	Very high	35 Å²	35	37.5 Å²	37.5	14%	0.137	21%	0.213	C	C	.	.	H	α-helix	trans	-72.7	-40.7	172.7	-75.1	-64.7	0	0	0	112.5	L419 Q423 L439 G440 V441 L445 M446 G447 D448 S451 V455	L419-Y443 HydrophobicContact CD1-CD1 3.83Å; L419-Y443 HydrophobicContact CD1-CD2 4.28Å; L419-Y443 HydrophobicContact CD1-CE1 3.77Å; L419-Y443 HydrophobicContact CD1-CE2 4.24Å; L419-Y443 HydrophobicContact CD1-CG 4.08Å; L419-Y443 HydrophobicContact CD2-CD1 3.95Å; L419-Y443 HydrophobicContact CD2-CE1 3.87Å; L419-Y443 HydrophobicContact CG-CE1 4.35Å; Q423-Y443 PolarHBondContact NE2-OH 2.98Å; L439-Y443 HydrophobicContact CD1-CD2 4.1Å; L439-Y443 HydrophobicContact CD1-CE2 3.64Å; L439-Y443 HydrophobicContact CD2-CE2 4.19Å; L439-Y443 HydrophobicContact CG-CD2 4.11Å; L439-Y443 HydrophobicContact CG-CE2 3.72Å; L439-Y443 VanDerWaalsContact O-CD2 3.31Å; L439-Y443 WeakPolarHBondContact O-CD2 3.43Å; L439-Y443 PolarHBondContact O-N 3.11Å; G440-Y443 PolarHBondContact O-N 2.96Å; V441-Y443 VanDerWaalsContact C-N 3.29Å; V441-Y443 PolarHBondContact O-N 3.31Å; Y443-L445 VanDerWaalsContact C-N 3.33Å; Y443-L445 PolarHBondContact O-N 2.8Å; Y443-M446 CarbonylContact O-C 3.52Å; Y443-M446 WeakPolarHBondContact O-CA 3.34Å; Y443-M446 WeakPolarHBondContact O-CB 3.44Å; Y443-M446 PolarHBondContact O-N 3.1Å; Y443-G447 PolarHBondContact O-N 2.95Å; Y443-D448 HydrophobicContact CD1-CB 4.09Å; Y443-D448 PolarHBondContact O-N 3.13Å; Y443-S451 VanDerWaalsContact CD1-CB 3.47Å; Y443-V455 HydrophobicContact CD2-CG2 4.09Å; Y443-V455 HydrophobicContact CE2-CG2 3.86Å
444	L	95	Very high	95.9	Very high	34 Å²	34	41.2 Å²	41.2	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-39.8	176	-69.2	176	0	0	0	112.7	G440 V441 M446 G447 N449 A452 Y456 F475 I476	G440-L444 WeakPolarHBondContact O-CG 3.16Å; G440-L444 PolarHBondContact O-N 2.73Å; G440-L444 VanDerWaalsContact O-N 3.13Å; V441-L444 PolarHBondContact O-N 2.92Å; V441-L444 VanDerWaalsContact O-N 3.14Å; L444-M446 PolarHBondContact O-N 2.98Å; L444-G447 PolarHBondContact O-N 3.15Å; L444-N449 VanDerWaalsContact CD2-OD1 3.31Å; L444-N449 WeakPolarHBondContact CD2-OD1 3.44Å; L444-A452 HydrophobicContact CD2-CB 3.67Å; L444-A452 HydrophobicContact CG-CB 3.75Å; L444-Y456 HydrophobicContact CD1-CE2 4.23Å; L444-F475 HydrophobicContact CD1-CD1 4.41Å; L444-F475 HydrophobicContact CD2-CE1 4.26Å; L444-I476 HydrophobicContact CD2-CD1 3.97Å; L444-I476 HydrophobicContact CD2-CG1 3.77Å
445	L	92.4	Very high	96.1	Very high	79 Å²	79	37.9 Å²	37.9	41%	0.414	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-14.6	175.1	-69.5	172.7	0	0	0	113.7	Q410 M415 V441 Y443	Q410-L445 HydrophobicContact CG-CD1 4.09Å; M415-L445 HydrophobicContact CE-CD2 4.43Å; M415-L445 HydrophobicContact CG-CB 4.41Å; M415-L445 HydrophobicContact SD-CB 4.1Å; M415-L445 HydrophobicContact SD-CD1 4.06Å; V441-L445 HydrophobicContact CG1-CD1 3.98Å; V441-L445 HydrophobicContact CG1-CG 4.21Å; V441-L445 WeakPolarHBondContact O-CG 3.24Å; V441-L445 PolarHBondContact O-N 2.98Å; Y443-L445 VanDerWaalsContact C-N 3.33Å; Y443-L445 PolarHBondContact O-N 2.8Å
446	M	92.9	Very high	96.2	Very high	89 Å²	89	37.7 Å²	37.7	44%	0.438	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-0.4	171.5	-72.4	-64.4	-47.1	0	0	113	M415 R416 L419 Y443 L444 D448	M415-M446 HydrophobicContact CB-CG 4.29Å; M415-M446 HydrophobicContact CB-SD 3.51Å; M415-M446 VanDerWaalsContact CB-SD 3.51Å; R416-M446 HydrophobicContact CB-CE 4.47Å; R416-M446 HydrophobicContact CB-SD 4.17Å; R416-M446 PolarHBondContact N-SD 2.87Å; L419-M446 HydrophobicContact CD2-CG 4.14Å; Y443-M446 CarbonylContact O-C 3.52Å; Y443-M446 WeakPolarHBondContact O-CA 3.34Å; Y443-M446 WeakPolarHBondContact O-CB 3.44Å; Y443-M446 PolarHBondContact O-N 3.1Å; L444-M446 PolarHBondContact O-N 2.98Å; M446-D448 PolarHBondContact O-N 3.18Å
447	G	92.2	Very high	96.2	Very high	52 Å²	52	39.2 Å²	39.2	54%	0.536	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	0.5	-173.3	0	0	0	0	0	115.2	Y443 L444 N449	Y443-G447 PolarHBondContact O-N 2.95Å; L444-G447 PolarHBondContact O-N 3.15Å; G447-N449 VanDerWaalsContact C-N 3.27Å; G447-N449 PolarHBondContact O-N 3.49Å
448	D	95.1	Very high	96.2	Very high	58 Å²	58	43.8 Å²	43.8	31%	0.31	23%	0.233	S	C	.	.			trans	-80.3	73.5	-179	-173.3	-6.4	0	0	0	111.2	Y443 M446 D450 S451 A452	Y443-D448 HydrophobicContact CD1-CB 4.09Å; Y443-D448 PolarHBondContact O-N 3.13Å; M446-D448 PolarHBondContact O-N 3.18Å; D448-D450 PolarHBondContact O-N 3.29Å; D448-D450 PolarHBondContact OD1-N 3.01Å; D448-S451 VanDerWaalsContact CG-OG 3.22Å; D448-S451 PolarHBondContact O-N 3.37Å; D448-S451 WeakPolarHBondContact OD1-CB 3.07Å; D448-S451 PolarHBondContact OD1-N 3.45Å; D448-S451 PolarHBondContact OD1-OG 3.01Å; D448-S451 WeakPolarHBondContact OD2-CB 3.37Å; D448-S451 PolarHBondContact OD2-OG 2.69Å; D448-A452 WeakPolarHBondContact O-CB 3.43Å; D448-A452 PolarHBondContact O-N 2.86Å
449	N	95.1	Very high	96.3	Very high	55 Å²	55	42.3 Å²	42.3	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-59.9	-31.8	178.9	-71.5	-44.7	0	0	0	112.6	L444 G447 K453 I476	L444-N449 VanDerWaalsContact CD2-OD1 3.31Å; L444-N449 WeakPolarHBondContact CD2-OD1 3.44Å; G447-N449 VanDerWaalsContact C-N 3.27Å; G447-N449 PolarHBondContact O-N 3.49Å; N449-K453 WeakPolarHBondContact O-CB 3.31Å; N449-K453 PolarHBondContact O-N 3.44Å; N449-I476 HydrophobicContact CB-CG2 4.36Å
450	D	95.7	Very high	96.2	Very high	84 Å²	84	42.9 Å²	42.9	45%	0.449	23%	0.229	S	C	.	.	H	α-helix	trans	-81.2	-30.9	-176.4	-81.4	-36.7	0	0	0	113.6	D448 K454 Q480	D448-D450 PolarHBondContact O-N 3.29Å; D448-D450 PolarHBondContact OD1-N 3.01Å; D450-K454 VanDerWaalsContact O-CD 3.24Å; D450-K454 WeakPolarHBondContact O-CD 3.43Å; D450-K454 WeakPolarHBondContact O-CE 3.44Å; D450-K454 VanDerWaalsContact O-CG 3.26Å; D450-K454 WeakPolarHBondContact O-CG 3.29Å; D450-K454 PolarHBondContact O-N 3.1Å; D450-K454 PolarHBondContact O-NZ 2.88Å; D450-Q480 PolarHBondContact OD1-NE2 3.17Å
451	S	96.9	Very high	96.2	Very high	28 Å²	28	49.4 Å²	49.4	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-74.9	-39.9	167.6	-60.6	0	0	0	0	111.4	Y443 D448 K453 K454 V455	Y443-S451 VanDerWaalsContact CD1-CB 3.47Å; D448-S451 VanDerWaalsContact CG-OG 3.22Å; D448-S451 PolarHBondContact O-N 3.37Å; D448-S451 WeakPolarHBondContact OD1-CB 3.07Å; D448-S451 PolarHBondContact OD1-N 3.45Å; D448-S451 PolarHBondContact OD1-OG 3.01Å; D448-S451 WeakPolarHBondContact OD2-CB 3.37Å; D448-S451 PolarHBondContact OD2-OG 2.69Å; S451-K453 VanDerWaalsContact C-N 3.29Å; S451-K453 PolarHBondContact O-N 3.1Å; S451-K454 PolarHBondContact O-N 3.07Å; S451-V455 WeakPolarHBondContact O-CG2 3.47Å; S451-V455 PolarHBondContact O-N 3.27Å; S451-V455 VanDerWaalsContact O-N 3.14Å
452	A	97.8	Very high	96.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.5	-46.4	172.8	0	0	0	0	0	111.4	L444 D448 K454 V455 Y456 I476	L444-A452 HydrophobicContact CD2-CB 3.67Å; L444-A452 HydrophobicContact CG-CB 3.75Å; D448-A452 WeakPolarHBondContact O-CB 3.43Å; D448-A452 PolarHBondContact O-N 2.86Å; A452-K454 PolarHBondContact O-N 2.77Å; A452-V455 PolarHBondContact O-N 2.71Å; A452-Y456 HydrophobicContact CB-CE2 4.39Å; A452-Y456 WeakPolarHBondContact O-CD2 3.35Å; A452-Y456 PolarHBondContact O-N 3.47Å; A452-I476 HydrophobicContact CB-CD1 3.75Å
453	K	97.8	Very high	96.1	Very high	32 Å²	32	55 Å²	55	14%	0.139	30%	0.298	C	S	.	.	H	α-helix	trans	-55.4	-52	177.9	-172.9	176.9	172.8	-176.9	0	112.4	N449 S451 V455 Y456 E457 Y473 I476	N449-K453 WeakPolarHBondContact O-CB 3.31Å; N449-K453 PolarHBondContact O-N 3.44Å; S451-K453 VanDerWaalsContact C-N 3.29Å; S451-K453 PolarHBondContact O-N 3.1Å; K453-V455 VanDerWaalsContact C-N 3.27Å; K453-V455 PolarHBondContact O-N 3.13Å; K453-Y456 PolarHBondContact O-N 3.21Å; K453-E457 WeakPolarHBondContact CE-OE1 3.49Å; K453-E457 HydrophobicContact CG-CG 4.44Å; K453-E457 WeakPolarHBondContact CG-OE1 3.32Å; K453-E457 WeakPolarHBondContact O-CB 3.4Å; K453-E457 WeakPolarHBondContact O-CG 3.41Å; K453-E457 PolarHBondContact O-N 3.08Å; K453-Y473 HydrophobicContact CG-CD2 4.25Å; K453-Y473 HydrophobicContact CG-CE2 3.87Å; K453-I476 HydrophobicContact CB-CD1 4.44Å; K453-I476 HydrophobicContact CB-CG2 4.07Å; K453-I476 HydrophobicContact CD-CG2 4.35Å; K453-I476 HydrophobicContact CG-CG2 4.35Å
454	K	97.8	Very high	96.1	Very high	114 Å²	114	57.2 Å²	57.2	50%	0.496	32%	0.316	S	S	.	.	H	α-helix	trans	-58.9	-38.7	179.2	-66.3	158.8	-161.2	143.7	0	111.8	D450 S451 A452 E457 E458	D450-K454 VanDerWaalsContact O-CD 3.24Å; D450-K454 WeakPolarHBondContact O-CD 3.43Å; D450-K454 WeakPolarHBondContact O-CE 3.44Å; D450-K454 VanDerWaalsContact O-CG 3.26Å; D450-K454 WeakPolarHBondContact O-CG 3.29Å; D450-K454 PolarHBondContact O-N 3.1Å; D450-K454 PolarHBondContact O-NZ 2.88Å; S451-K454 PolarHBondContact O-N 3.07Å; A452-K454 PolarHBondContact O-N 2.77Å; K454-E457 PolarHBondContact O-N 2.92Å; K454-E458 PolarHBondContact O-N 3.33Å
455	V	97.8	Very high	96.1	Very high	14 Å²	14	61.9 Å²	61.9	9%	0.085	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-43.6	177.3	173.7	0	0	0	0	111.5	K436 L439 Y443 S451 A452 K453 E458 V459	K436-V455 HydrophobicContact CB-CG1 4.17Å; K436-V455 WeakPolarHBondContact O-CG1 3.47Å; L439-V455 HydrophobicContact CD2-CG2 4.31Å; L439-V455 HydrophobicContact CG-CG2 4.42Å; Y443-V455 HydrophobicContact CD2-CG2 4.09Å; Y443-V455 HydrophobicContact CE2-CG2 3.86Å; S451-V455 WeakPolarHBondContact O-CG2 3.47Å; S451-V455 PolarHBondContact O-N 3.27Å; S451-V455 VanDerWaalsContact O-N 3.14Å; A452-V455 PolarHBondContact O-N 2.71Å; K453-V455 VanDerWaalsContact C-N 3.27Å; K453-V455 PolarHBondContact O-N 3.13Å; V455-E458 WeakPolarHBondContact O-CB 3.4Å; V455-E458 PolarHBondContact O-N 3.07Å; V455-V459 WeakPolarHBondContact O-CG2 3.46Å; V455-V459 PolarHBondContact O-N 2.83Å
456	Y	98.2	Very high	96.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-72.4	-32.5	175.9	-64.3	-61.4	0	0	0	112.9	N437 G440 V441 L444 A452 K453 V459 L460 F468 A469 H472 I476	N437-Y456 HydrophobicContact CB-CE1 4.47Å; N437-Y456 PolarHBondContact O-OH 3.14Å; G440-Y456 VanDerWaalsContact C-OH 3.26Å; V441-Y456 WeakPolarHBondContact CG2-OH 3.34Å; V441-Y456 PolarHBondContact N-OH 3.33Å; V441-Y456 VanDerWaalsContact N-OH 3.11Å; L444-Y456 HydrophobicContact CD1-CE2 4.23Å; A452-Y456 HydrophobicContact CB-CE2 4.39Å; A452-Y456 WeakPolarHBondContact O-CD2 3.35Å; A452-Y456 PolarHBondContact O-N 3.47Å; K453-Y456 PolarHBondContact O-N 3.21Å; Y456-V459 PolarHBondContact O-N 3.18Å; Y456-L460 WeakPolarHBondContact O-CB 3.32Å; Y456-L460 WeakPolarHBondContact O-CG 3.39Å; Y456-L460 PolarHBondContact O-N 3.22Å; Y456-F468 HydrophobicContact CE1-CD1 4.33Å; Y456-F468 HydrophobicContact CE1-CE1 4.3Å; Y456-A469 HydrophobicContact CD1-CB 3.86Å; Y456-H472 HydrophobicContact CD1-CB 4.28Å; Y456-H472 HydrophobicContact CD2-CB 3.96Å; Y456-H472 HydrophobicContact CE1-CB 3.79Å; Y456-H472 HydrophobicContact CE2-CB 3.45Å; Y456-H472 VanDerWaalsContact CE2-CB 3.45Å; Y456-H472 HydrophobicContact CG-CB 4.35Å; Y456-H472 AromaticContact CZ-CG 3.71Å; Y456-I476 HydrophobicContact CD2-CD1 3.75Å; Y456-I476 HydrophobicContact CE2-CD1 4.05Å
457	E	97.6	Very high	96.6	Very high	63 Å²	63	55 Å²	55	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-60.8	-43.8	168.8	-73.1	170.4	174.5	0	0	110.8	K453 K454 V459 N461 Y473	K453-E457 WeakPolarHBondContact CE-OE1 3.49Å; K453-E457 HydrophobicContact CG-CG 4.44Å; K453-E457 WeakPolarHBondContact CG-OE1 3.32Å; K453-E457 WeakPolarHBondContact O-CB 3.4Å; K453-E457 WeakPolarHBondContact O-CG 3.41Å; K453-E457 PolarHBondContact O-N 3.08Å; K454-E457 PolarHBondContact O-N 2.92Å; E457-V459 PolarHBondContact O-N 3.45Å; E457-N461 WeakPolarHBondContact O-CB 3.44Å; E457-N461 VanDerWaalsContact O-CG 3.31Å; E457-N461 PolarHBondContact O-N 3.47Å; E457-N461 PolarHBondContact O-ND2 3.31Å; E457-Y473 HydrophobicContact CG-CD2 4.19Å; E457-Y473 HydrophobicContact CG-CE2 3.57Å
458	E	96.6	Very high	96.9	Very high	103 Å²	103	54.4 Å²	54.4	48%	0.481	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-40.7	172.5	-82.7	-171.2	-150.3	0	0	113	K436 K454 V455 V462	K436-E458 IonicContact NZ-OE2 3.92Å; K436-E458 PolarHBondContact NZ-OE2 3.38Å; K454-E458 PolarHBondContact O-N 3.33Å; V455-E458 WeakPolarHBondContact O-CB 3.4Å; V455-E458 PolarHBondContact O-N 3.07Å; E458-V462 WeakPolarHBondContact O-CG2 3.17Å
459	V	97.3	Very high	97	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-67.8	-50	177.8	173.5	0	0	0	0	110.6	T433 K436 V455 Y456 E457 N461 V462 T463 D466 A469	T433-V459 HydrophobicContact CG2-CG1 4.43Å; K436-V459 HydrophobicContact CB-CG2 3.48Å; K436-V459 VanDerWaalsContact CB-CG2 3.48Å; K436-V459 HydrophobicContact CD-CG2 3.92Å; K436-V459 HydrophobicContact CG-CG2 4.34Å; V455-V459 WeakPolarHBondContact O-CG2 3.46Å; V455-V459 PolarHBondContact O-N 2.83Å; Y456-V459 PolarHBondContact O-N 3.18Å; E457-V459 PolarHBondContact O-N 3.45Å; V459-N461 VanDerWaalsContact C-N 3.26Å; V459-N461 PolarHBondContact O-N 2.91Å; V459-V462 PolarHBondContact O-N 3.19Å; V459-T463 PolarHBondContact O-N 3.02Å; V459-T463 PolarHBondContact O-OG1 2.89Å; V459-T463 VanDerWaalsContact O-OG1 3.09Å; V459-D466 HydrophobicContact CG1-CB 4.08Å; V459-A469 HydrophobicContact CB-CB 4.12Å; V459-A469 HydrophobicContact CG1-CB 3.66Å
460	L	97.6	Very high	97.2	Very high	24 Å²	24	50 Å²	50	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-27.2	-178.9	-67.9	171.6	0	0	0	112.9	Y456 V462 P464 A469 K470 Y473 Y489	Y456-L460 WeakPolarHBondContact O-CB 3.32Å; Y456-L460 WeakPolarHBondContact O-CG 3.39Å; Y456-L460 PolarHBondContact O-N 3.22Å; L460-V462 VanDerWaalsContact C-N 3.3Å; L460-V462 PolarHBondContact O-N 3.48Å; L460-P464 VanDerWaalsContact O-CA 3.23Å; L460-P464 WeakPolarHBondContact O-CA 3.43Å; L460-P464 WeakPolarHBondContact O-CG 3.46Å; L460-A469 HydrophobicContact CD2-CB 3.85Å; L460-A469 HydrophobicContact CG-CB 3.94Å; L460-K470 HydrophobicContact CD2-CG 3.72Å; L460-Y473 HydrophobicContact CD1-CD1 3.95Å; L460-Y473 HydrophobicContact CD1-CG 4.01Å; L460-Y489 HydrophobicContact CD1-CD1 4.42Å; L460-Y489 HydrophobicContact CD1-CE1 4.25Å
461	N	96.6	Very high	97.3	Very high	138 Å²	138	46 Å²	46	74%	0.738	24%	0.243	S	C	*	.	H	α-helix	trans	-69	-22.8	171.5	-82.4	-56.4	0	0	0	113.9	E457 V459	E457-N461 WeakPolarHBondContact O-CB 3.44Å; E457-N461 VanDerWaalsContact O-CG 3.31Å; E457-N461 PolarHBondContact O-N 3.47Å; E457-N461 PolarHBondContact O-ND2 3.31Å; V459-N461 VanDerWaalsContact C-N 3.26Å; V459-N461 PolarHBondContact O-N 2.91Å
462	V	95.4	Very high	97.4	Very high	106 Å²	106	44.9 Å²	44.9	64%	0.642	24%	0.235	S	C	*	.	H	α-helix	trans	-102.8	-38.1	179.8	178.9	0	0	0	0	111.7	E458 V459 L460	E458-V462 WeakPolarHBondContact O-CG2 3.17Å; V459-V462 PolarHBondContact O-N 3.19Å; L460-V462 VanDerWaalsContact C-N 3.3Å; L460-V462 PolarHBondContact O-N 3.48Å
463	T	95.7	Very high	97.4	Very high	47 Å²	47	46 Å²	46	29%	0.288	24%	0.239	S	C	.	.			trans	-131.1	80.4	178.7	44.8	0	0	0	0	110	T433 V459 N465 D466	T433-T463 HydrophobicContact CG2-CG2 4.17Å; V459-T463 PolarHBondContact O-N 3.02Å; V459-T463 PolarHBondContact O-OG1 2.89Å; V459-T463 VanDerWaalsContact O-OG1 3.09Å; T463-N465 PolarHBondContact O-N 3.13Å; T463-D466 WeakPolarHBondContact O-CB 3.11Å; T463-D466 PolarHBondContact O-N 3.14Å; T463-D466 VanDerWaalsContact O-N 3.09Å
464	P	96.7	Very high	97.4	Very high	80 Å²	80	44.4 Å²	44.4	52%	0.519	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.3	-175.8	-23.6	32.8	0	0	0	115.8	L460 K470	L460-P464 VanDerWaalsContact O-CA 3.23Å; L460-P464 WeakPolarHBondContact O-CA 3.43Å; L460-P464 WeakPolarHBondContact O-CG 3.46Å; P464-K470 WeakPolarHBondContact O-CE 3.32Å; P464-K470 PolarHBondContact O-NZ 3.39Å
465	N	96.1	Very high	97.4	Very high	132 Å²	132	41.5 Å²	41.5	71%	0.706	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	6.8	-179.4	-68.1	-6.7	0	0	0	113.4	T463 G467	T463-N465 PolarHBondContact O-N 3.13Å; N465-G467 PolarHBondContact O-N 3.28Å
466	D	97.6	Very high	97.4	Very high	25 Å²	25	40.9 Å²	40.9	13%	0.134	22%	0.216	C	C	.	.			trans	-67.7	101.6	176.7	-171.6	-66.9	0	0	0	109.8	N437 V459 T463 F468 A469 K470	N437-D466 PolarHBondContact ND2-OD1 2.97Å; N437-D466 PolarHBondContact ND2-OD2 3.26Å; V459-D466 HydrophobicContact CG1-CB 4.08Å; T463-D466 WeakPolarHBondContact O-CB 3.11Å; T463-D466 PolarHBondContact O-N 3.14Å; T463-D466 VanDerWaalsContact O-N 3.09Å; D466-F468 VanDerWaalsContact C-N 3.29Å; D466-F468 PolarHBondContact O-N 2.63Å; D466-A469 HydrophobicContact CB-CB 4.1Å; D466-A469 PolarHBondContact O-N 3.28Å; D466-A469 WeakPolarHBondContact OD1-CB 3.27Å; D466-A469 PolarHBondContact OD1-N 2.96Å; D466-K470 WeakPolarHBondContact O-CG 3.09Å; D466-K470 PolarHBondContact O-N 3.46Å
467	G	97.7	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.4	-32.6	-172.2	0	0	0	0	0	113.1	N465 K470 V471 G493 D498 T501	N465-G467 PolarHBondContact O-N 3.28Å; G467-K470 PolarHBondContact O-N 3.47Å; G467-V471 PolarHBondContact O-N 2.86Å; G467-G493 WeakPolarHBondContact O-CA 3.23Å; G467-D498 WeakPolarHBondContact CA-OD2 3.42Å; G467-D498 PolarHBondContact N-OD2 3.19Å; G467-T501 WeakPolarHBondContact O-CG2 3.47Å
468	F	98	Very high	97.2	Very high	38 Å²	38	39 Å²	39	17%	0.167	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-46.1	174.8	-172.4	-76.8	0	0	0	111.2	N437 V441 Y456 D466 K470 V471 H472 P499	N437-F468 HydrophobicContact CB-CD1 3.55Å; N437-F468 HydrophobicContact CB-CE1 3.65Å; N437-F468 HydrophobicContact CB-CG 4.48Å; N437-F468 WeakPolarHBondContact ND2-CD1 3.4Å; V441-F468 HydrophobicContact CG2-CE1 3.95Å; V441-F468 HydrophobicContact CG2-CZ 3.78Å; Y456-F468 HydrophobicContact CE1-CD1 4.33Å; Y456-F468 HydrophobicContact CE1-CE1 4.3Å; D466-F468 VanDerWaalsContact C-N 3.29Å; D466-F468 PolarHBondContact O-N 2.63Å; F468-K470 VanDerWaalsContact C-N 3.33Å; F468-K470 PolarHBondContact O-N 3.48Å; F468-V471 VanDerWaalsContact O-CG2 3.3Å; F468-V471 WeakPolarHBondContact O-CG2 3.36Å; F468-H472 AromaticContact CD1-CE1 3.71Å; F468-H472 AromaticContact CD1-ND1 3.45Å; F468-H472 WeakPolarHBondContact CD1-ND1 3.39Å; F468-H472 AromaticContact CE1-CE1 3.25Å; F468-H472 WeakPolarHBondContact CE1-CE1 3.41Å; F468-H472 AromaticContact CE1-ND1 3.36Å; F468-H472 WeakPolarHBondContact CE1-ND1 3.15Å; F468-H472 AromaticContact CE2-CE1 3.6Å; F468-H472 AromaticContact CG-ND1 3.98Å; F468-H472 AromaticContact CZ-CE1 3.21Å; F468-H472 WeakPolarHBondContact CZ-CE1 3.28Å; F468-H472 AromaticContact CZ-ND1 3.82Å; F468-H472 AromaticContact CZ-NE2 3.9Å; F468-H472 PolarHBondContact O-N 3.13Å; F468-H472 PolarHBondContact O-ND1 3.08Å; F468-P499 WeakPolarHBondContact CD2-O 3.38Å
469	A	98.1	Very high	97	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-37.3	174.1	0	0	0	0	0	111.9	Y456 V459 L460 D466 Y473	Y456-A469 HydrophobicContact CD1-CB 3.86Å; V459-A469 HydrophobicContact CB-CB 4.12Å; V459-A469 HydrophobicContact CG1-CB 3.66Å; L460-A469 HydrophobicContact CD2-CB 3.85Å; L460-A469 HydrophobicContact CG-CB 3.94Å; D466-A469 HydrophobicContact CB-CB 4.1Å; D466-A469 PolarHBondContact O-N 3.28Å; D466-A469 WeakPolarHBondContact OD1-CB 3.27Å; D466-A469 PolarHBondContact OD1-N 2.96Å; A469-Y473 WeakPolarHBondContact O-CB 3.49Å; A469-Y473 PolarHBondContact O-N 3.35Å
470	K	98.5	Very high	96.8	Very high	20 Å²	20	39.2 Å²	39.2	9%	0.087	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-50.9	175.5	-70.2	-170.1	-176.4	-176.6	0	112.8	L460 P464 D466 G467 F468 H472 Y473 G474 Y489 E492	L460-K470 HydrophobicContact CD2-CG 3.72Å; P464-K470 WeakPolarHBondContact O-CE 3.32Å; P464-K470 PolarHBondContact O-NZ 3.39Å; D466-K470 WeakPolarHBondContact O-CG 3.09Å; D466-K470 PolarHBondContact O-N 3.46Å; G467-K470 PolarHBondContact O-N 3.47Å; F468-K470 VanDerWaalsContact C-N 3.33Å; F468-K470 PolarHBondContact O-N 3.48Å; K470-H472 VanDerWaalsContact C-N 3.34Å; K470-H472 PolarHBondContact O-N 3.34Å; K470-Y473 PolarHBondContact O-N 3.06Å; K470-G474 PolarHBondContact O-N 3.47Å; K470-Y489 CarbonylContact C-O 3.55Å; K470-Y489 WeakPolarHBondContact CB-O 3.4Å; K470-Y489 HydrophobicContact CG-CD1 4.29Å; K470-E492 HydrophobicContact CD-CB 3.85Å; K470-E492 IonicContact NZ-OE2 2.97Å; K470-E492 PolarHBondContact NZ-OE2 2.87Å
471	V	98.3	Very high	96.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-40	-178.7	-63.7	0	0	0	0	112.2	G467 F468 F475 L490 G493 I494 T501 F506	G467-V471 PolarHBondContact O-N 2.86Å; F468-V471 VanDerWaalsContact O-CG2 3.3Å; F468-V471 WeakPolarHBondContact O-CG2 3.36Å; V471-F475 WeakPolarHBondContact O-CB 3.47Å; V471-F475 PolarHBondContact O-N 3.23Å; V471-L490 WeakPolarHBondContact O-CD2 3.14Å; V471-G493 VanDerWaalsContact CG1-CA 3.5Å; V471-I494 HydrophobicContact CG1-CG1 4.05Å; V471-T501 HydrophobicContact CG1-CG2 4.02Å; V471-T501 HydrophobicContact CG2-CG2 4.04Å; V471-F506 HydrophobicContact CB-CB 4.39Å; V471-F506 HydrophobicContact CB-CD1 3.75Å; V471-F506 HydrophobicContact CB-CD2 3.79Å; V471-F506 HydrophobicContact CB-CE1 3.93Å; V471-F506 HydrophobicContact CB-CE2 3.97Å; V471-F506 HydrophobicContact CB-CG 3.7Å; V471-F506 HydrophobicContact CB-CZ 4.05Å; V471-F506 HydrophobicContact CG1-CB 4.44Å; V471-F506 HydrophobicContact CG1-CD2 4.18Å; V471-F506 HydrophobicContact CG1-CG 4.18Å; V471-F506 HydrophobicContact CG2-CD1 4.22Å; V471-F506 HydrophobicContact CG2-CD2 3.73Å; V471-F506 HydrophobicContact CG2-CE1 3.95Å; V471-F506 HydrophobicContact CG2-CE2 3.43Å; V471-F506 VanDerWaalsContact CG2-CE2 3.43Å; V471-F506 HydrophobicContact CG2-CG 4.13Å; V471-F506 HydrophobicContact CG2-CZ 3.57Å
472	H	98.4	Very high	96.5	Very high	6 Å²	6	40 Å²	40	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-73	-40	179	-70.2	88.4	0	0	0	112.7	Y456 F468 K470 F475 I476 F506	Y456-H472 HydrophobicContact CD1-CB 4.28Å; Y456-H472 HydrophobicContact CD2-CB 3.96Å; Y456-H472 HydrophobicContact CE1-CB 3.79Å; Y456-H472 HydrophobicContact CE2-CB 3.45Å; Y456-H472 VanDerWaalsContact CE2-CB 3.45Å; Y456-H472 HydrophobicContact CG-CB 4.35Å; Y456-H472 AromaticContact CZ-CG 3.71Å; F468-H472 AromaticContact CD1-CE1 3.71Å; F468-H472 AromaticContact CD1-ND1 3.45Å; F468-H472 WeakPolarHBondContact CD1-ND1 3.39Å; F468-H472 AromaticContact CE1-CE1 3.25Å; F468-H472 WeakPolarHBondContact CE1-CE1 3.41Å; F468-H472 AromaticContact CE1-ND1 3.36Å; F468-H472 WeakPolarHBondContact CE1-ND1 3.15Å; F468-H472 AromaticContact CE2-CE1 3.6Å; F468-H472 AromaticContact CG-ND1 3.98Å; F468-H472 AromaticContact CZ-CE1 3.21Å; F468-H472 WeakPolarHBondContact CZ-CE1 3.28Å; F468-H472 AromaticContact CZ-ND1 3.82Å; F468-H472 AromaticContact CZ-NE2 3.9Å; F468-H472 PolarHBondContact O-N 3.13Å; F468-H472 PolarHBondContact O-ND1 3.08Å; K470-H472 VanDerWaalsContact C-N 3.34Å; K470-H472 PolarHBondContact O-N 3.34Å; H472-F475 WeakPolarHBondContact O-CB 3.42Å; H472-F475 PolarHBondContact O-N 3.37Å; H472-I476 WeakPolarHBondContact O-CD1 3.4Å; H472-I476 VanDerWaalsContact O-CG1 3.3Å; H472-I476 WeakPolarHBondContact O-CG1 3.34Å; H472-I476 PolarHBondContact O-N 2.99Å; H472-F506 AromaticContact CD2-CZ 3.96Å; H472-F506 AromaticContact CE1-CZ 3.61Å; H472-F506 AromaticContact ND1-CZ 3.97Å; H472-F506 AromaticContact NE2-CZ 3.61Å
473	Y	98.3	Very high	96.5	Very high	22 Å²	22	35.8 Å²	35.8	9%	0.086	19%	0.188	C	C	.	.	H	α-helix	trans	-63.3	-44	173.4	-178	-111.9	0	0	0	111.2	K453 E457 L460 A469 K470 F475 I476 L477 Y489	K453-Y473 HydrophobicContact CG-CD2 4.25Å; K453-Y473 HydrophobicContact CG-CE2 3.87Å; E457-Y473 HydrophobicContact CG-CD2 4.19Å; E457-Y473 HydrophobicContact CG-CE2 3.57Å; L460-Y473 HydrophobicContact CD1-CD1 3.95Å; L460-Y473 HydrophobicContact CD1-CG 4.01Å; A469-Y473 WeakPolarHBondContact O-CB 3.49Å; A469-Y473 PolarHBondContact O-N 3.35Å; K470-Y473 PolarHBondContact O-N 3.06Å; Y473-F475 PolarHBondContact O-N 3.12Å; Y473-I476 PolarHBondContact O-N 3Å; Y473-L477 HydrophobicContact CD1-CD1 3.98Å; Y473-L477 HydrophobicContact CD1-CG 4.34Å; Y473-L477 HydrophobicContact CE1-CD1 3.61Å; Y473-L477 HydrophobicContact CE1-CD2 4.34Å; Y473-L477 HydrophobicContact CE1-CG 4.05Å; Y473-L477 HydrophobicContact CE2-CD2 4.41Å; Y473-L477 WeakPolarHBondContact O-CG 3.45Å; Y473-L477 PolarHBondContact O-N 3.31Å; Y473-Y489 AromaticContact CD1-CD1 3.78Å; Y473-Y489 HydrophobicContact CD1-CD1 3.78Å; Y473-Y489 HydrophobicContact CD1-CD2 4.01Å; Y473-Y489 AromaticContact CD1-CE1 3.85Å; Y473-Y489 HydrophobicContact CD1-CE1 3.85Å; Y473-Y489 HydrophobicContact CD1-CE2 4.1Å; Y473-Y489 AromaticContact CD1-CG 3.86Å; Y473-Y489 HydrophobicContact CD1-CG 3.86Å; Y473-Y489 HydrophobicContact CE1-CD1 4.31Å; Y473-Y489 HydrophobicContact CE1-CD2 4.06Å; Y473-Y489 AromaticContact CE1-CE1 3.99Å; Y473-Y489 HydrophobicContact CE1-CE1 3.99Å; Y473-Y489 AromaticContact CE1-CE2 3.73Å; Y473-Y489 HydrophobicContact CE1-CE2 3.73Å; Y473-Y489 HydrophobicContact CE1-CG 4.35Å; Y473-Y489 AromaticContact CE1-CZ 3.69Å
474	G	97.9	Very high	96.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-42.5	173.9	0	0	0	0	0	113.1	K470 I476 L477 K478 S486	K470-G474 PolarHBondContact O-N 3.47Å; G474-I476 PolarHBondContact O-N 3.46Å; G474-L477 PolarHBondContact O-N 3.46Å; G474-K478 PolarHBondContact O-N 3.31Å; G474-S486 WeakPolarHBondContact O-CB 3.5Å
475	F	97.3	Very high	96.6	Very high	53 Å²	53	37.4 Å²	37.4	23%	0.232	20%	0.197	C	C	.	.	H	α-helix	trans	-56.9	-46.5	171.6	168.1	-102.3	0	0	0	112.1	L444 V471 H472 Y473 K478 A479 L490 F506 H509	L444-F475 HydrophobicContact CD1-CD1 4.41Å; L444-F475 HydrophobicContact CD2-CE1 4.26Å; V471-F475 WeakPolarHBondContact O-CB 3.47Å; V471-F475 PolarHBondContact O-N 3.23Å; H472-F475 WeakPolarHBondContact O-CB 3.42Å; H472-F475 PolarHBondContact O-N 3.37Å; Y473-F475 PolarHBondContact O-N 3.12Å; F475-K478 WeakPolarHBondContact O-CB 3.4Å; F475-K478 PolarHBondContact O-N 2.9Å; F475-A479 PolarHBondContact O-N 2.84Å; F475-L490 HydrophobicContact CB-CD2 4.48Å; F475-F506 HydrophobicContact CB-CD1 4.38Å; F475-F506 HydrophobicContact CB-CE1 4.13Å; F475-H509 AromaticContact CD2-CD2 3.47Å; F475-H509 VanDerWaalsContact CD2-CD2 3.47Å; F475-H509 WeakPolarHBondContact CD2-CD2 3.41Å; F475-H509 AromaticContact CD2-NE2 3.93Å; F475-H509 AromaticContact CE2-CD2 3.59Å; F475-H509 AromaticContact CE2-NE2 3.52Å
476	I	97	Very high	96.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-42.5	177.5	-64.2	160	0	0	0	111.5	L444 N449 A452 K453 Y456 H472 Y473 G474 K478 A479 Q480	L444-I476 HydrophobicContact CD2-CD1 3.97Å; L444-I476 HydrophobicContact CD2-CG1 3.77Å; N449-I476 HydrophobicContact CB-CG2 4.36Å; A452-I476 HydrophobicContact CB-CD1 3.75Å; K453-I476 HydrophobicContact CB-CD1 4.44Å; K453-I476 HydrophobicContact CB-CG2 4.07Å; K453-I476 HydrophobicContact CD-CG2 4.35Å; K453-I476 HydrophobicContact CG-CG2 4.35Å; Y456-I476 HydrophobicContact CD2-CD1 3.75Å; Y456-I476 HydrophobicContact CE2-CD1 4.05Å; H472-I476 WeakPolarHBondContact O-CD1 3.4Å; H472-I476 VanDerWaalsContact O-CG1 3.3Å; H472-I476 WeakPolarHBondContact O-CG1 3.34Å; H472-I476 PolarHBondContact O-N 2.99Å; Y473-I476 PolarHBondContact O-N 3Å; G474-I476 PolarHBondContact O-N 3.46Å; I476-K478 VanDerWaalsContact C-N 3.26Å; I476-K478 PolarHBondContact O-N 2.94Å; I476-A479 PolarHBondContact O-N 3.3Å; I476-Q480 HydrophobicContact CG2-CG 4.41Å; I476-Q480 WeakPolarHBondContact O-CG 3.41Å; I476-Q480 PolarHBondContact O-N 3.41Å
477	L	97.2	Very high	96.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-56.1	-44	174.2	-71.1	180	0	0	0	111.2	Y473 G474 Q480 N481 R482 E485 Y489	Y473-L477 HydrophobicContact CD1-CD1 3.98Å; Y473-L477 HydrophobicContact CD1-CG 4.34Å; Y473-L477 HydrophobicContact CE1-CD1 3.61Å; Y473-L477 HydrophobicContact CE1-CD2 4.34Å; Y473-L477 HydrophobicContact CE1-CG 4.05Å; Y473-L477 HydrophobicContact CE2-CD2 4.41Å; Y473-L477 WeakPolarHBondContact O-CG 3.45Å; Y473-L477 PolarHBondContact O-N 3.31Å; G474-L477 PolarHBondContact O-N 3.46Å; L477-Q480 CarbonylContact O-C 3.57Å; L477-Q480 PolarHBondContact O-N 3.08Å; L477-N481 PolarHBondContact O-N 3.32Å; L477-R482 HydrophobicContact CB-CB 4.31Å; L477-R482 HydrophobicContact CD2-CB 4.43Å; L477-R482 VanDerWaalsContact CD2-CZ 3.46Å; L477-R482 WeakPolarHBondContact O-CA 3.21Å; L477-R482 WeakPolarHBondContact O-CB 3.38Å; L477-R482 PolarHBondContact O-N 2.87Å; L477-E485 HydrophobicContact CD1-CB 4.18Å; L477-Y489 HydrophobicContact CD1-CD2 3.68Å; L477-Y489 HydrophobicContact CD1-CE2 4Å
478	K	95.3	Very high	96.7	Very high	23 Å²	23	33.6 Å²	33.6	10%	0.1	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-40.6	177.4	-165.9	-167.8	172.4	-64.9	0	112.2	G474 F475 I476 Q480 N481 I483 H509 D512 A513	G474-K478 PolarHBondContact O-N 3.31Å; F475-K478 WeakPolarHBondContact O-CB 3.4Å; F475-K478 PolarHBondContact O-N 2.9Å; I476-K478 VanDerWaalsContact C-N 3.26Å; I476-K478 PolarHBondContact O-N 2.94Å; K478-Q480 VanDerWaalsContact C-N 3.29Å; K478-Q480 PolarHBondContact O-N 2.85Å; K478-N481 WeakPolarHBondContact O-CA 3.09Å; K478-N481 PolarHBondContact O-N 3.42Å; K478-I483 HydrophobicContact CG-CD1 3.81Å; K478-H509 HydrophobicContact CD-CB 3.62Å; K478-H509 WeakPolarHBondContact CD-O 3.35Å; K478-H509 VanDerWaalsContact CE-O 3.23Å; K478-H509 WeakPolarHBondContact CE-O 3.48Å; K478-D512 WeakPolarHBondContact CE-OD2 3.25Å; K478-D512 IonicContact NZ-OD2 3.94Å; K478-D512 PolarHBondContact NZ-OD2 2.97Å; K478-A513 HydrophobicContact CD-CB 4.18Å; K478-A513 HydrophobicContact CG-CB 4.44Å
479	A	92.3	Very high	96.8	Very high	46 Å²	46	35.8 Å²	35.8	38%	0.38	19%	0.187	S	C	.	.	H	α-helix	trans	-63.4	-34.9	174.7	0	0	0	0	0	112.1	F475 I476 N481	F475-A479 PolarHBondContact O-N 2.84Å; I476-A479 PolarHBondContact O-N 3.3Å; A479-N481 PolarHBondContact O-N 2.95Å
480	Q	92.9	Very high	96.8	Very high	63 Å²	63	35.8 Å²	35.8	29%	0.294	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	16.5	170.6	-65.2	-172.2	-20.6	0	0	113.5	D450 I476 L477 K478 R482	D450-Q480 PolarHBondContact OD1-NE2 3.17Å; I476-Q480 HydrophobicContact CG2-CG 4.41Å; I476-Q480 WeakPolarHBondContact O-CG 3.41Å; I476-Q480 PolarHBondContact O-N 3.41Å; L477-Q480 CarbonylContact O-C 3.57Å; L477-Q480 PolarHBondContact O-N 3.08Å; K478-Q480 VanDerWaalsContact C-N 3.29Å; K478-Q480 PolarHBondContact O-N 2.85Å; Q480-R482 HydrophobicContact CB-CG 4.46Å; Q480-R482 PolarHBondContact O-N 3.43Å
481	N	91.6	Very high	96.8	Very high	99 Å²	99	37.8 Å²	37.8	53%	0.529	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	18	-176.6	-158.1	28.9	0	0	0	115.3	L477 K478 A479 I483	L477-N481 PolarHBondContact O-N 3.32Å; K478-N481 WeakPolarHBondContact O-CA 3.09Å; K478-N481 PolarHBondContact O-N 3.42Å; A479-N481 PolarHBondContact O-N 2.95Å; N481-I483 PolarHBondContact O-N 3.23Å; N481-I483 WeakPolarHBondContact OD1-CD1 3.36Å; N481-I483 WeakPolarHBondContact OD1-CG1 3.19Å
482	R	95.7	Very high	96.8	Very high	78 Å²	78	42.2 Å²	42.2	29%	0.294	22%	0.216	S	C	.	.			trans	-83	56.5	175.1	-63.1	171.8	66.9	-168.8	3.5	110	L477 Q480 A484 E485 S486	L477-R482 HydrophobicContact CB-CB 4.31Å; L477-R482 HydrophobicContact CD2-CB 4.43Å; L477-R482 VanDerWaalsContact CD2-CZ 3.46Å; L477-R482 WeakPolarHBondContact O-CA 3.21Å; L477-R482 WeakPolarHBondContact O-CB 3.38Å; L477-R482 PolarHBondContact O-N 2.87Å; Q480-R482 HydrophobicContact CB-CG 4.46Å; Q480-R482 PolarHBondContact O-N 3.43Å; R482-A484 PolarHBondContact O-N 2.98Å; R482-E485 HydrophobicContact CB-CB 4.35Å; R482-E485 IonicContact CZ-OE1 3.94Å; R482-E485 IonicContact CZ-OE2 3.94Å; R482-E485 IonicContact NE-OE1 2.63Å; R482-E485 PolarHBondContact NE-OE1 2.89Å; R482-E485 IonicContact NE-OE2 2.65Å; R482-E485 IonicContact NH2-OE1 2.71Å; R482-E485 PolarHBondContact NH2-OE1 3.34Å; R482-E485 VanDerWaalsContact NH2-OE1 3.13Å; R482-E485 IonicContact NH2-OE2 3.15Å; R482-E485 PolarHBondContact NH2-OE2 2.99Å; R482-E485 PolarHBondContact O-N 3.37Å; R482-E485 VanDerWaalsContact O-N 3.14Å; R482-S486 PolarHBondContact O-N 3.35Å
483	I	95.5	Very high	96.8	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.097	22%	0.215	C	C	.	.	H	α-helix	trans	-55.9	-53.2	-164.7	-53.8	-55.3	0	0	0	112.3	K478 N481 E485 S486 A513 R516 V517	K478-I483 HydrophobicContact CG-CD1 3.81Å; N481-I483 PolarHBondContact O-N 3.23Å; N481-I483 WeakPolarHBondContact OD1-CD1 3.36Å; N481-I483 WeakPolarHBondContact OD1-CG1 3.19Å; I483-E485 VanDerWaalsContact C-N 3.27Å; I483-E485 PolarHBondContact O-N 3.14Å; I483-S486 WeakPolarHBondContact O-CB 3.49Å; I483-S486 PolarHBondContact O-N 3.1Å; I483-S486 VanDerWaalsContact O-N 3.13Å; I483-S486 PolarHBondContact O-OG 3.49Å; I483-A513 HydrophobicContact CG2-CB 3.78Å; I483-A513 WeakPolarHBondContact CG2-O 3.49Å; I483-R516 HydrophobicContact CG2-CB 4.09Å; I483-V517 HydrophobicContact CG2-CG1 4.04Å
484	A	96.9	Very high	96.7	Very high	68 Å²	68	41.4 Å²	41.4	56%	0.562	21%	0.214	S	C	*	.	H	α-helix	trans	-61.8	-33.3	-178.6	0	0	0	0	0	113.3	R482 P488 V517	R482-A484 PolarHBondContact O-N 2.98Å; A484-P488 WeakPolarHBondContact O-CD 3.3Å; A484-V517 HydrophobicContact CB-CG1 4.41Å
485	E	97.6	Very high	96.7	Very high	92 Å²	92	46.9 Å²	46.9	43%	0.43	24%	0.239	S	C	.	.	H	α-helix	trans	-76.8	-27.2	178.1	-60	-178.1	-87.7	0	0	112.2	L477 R482 I483 P488 Y489	L477-E485 HydrophobicContact CD1-CB 4.18Å; R482-E485 HydrophobicContact CB-CB 4.35Å; R482-E485 IonicContact CZ-OE1 3.94Å; R482-E485 IonicContact CZ-OE2 3.94Å; R482-E485 IonicContact NE-OE1 2.63Å; R482-E485 PolarHBondContact NE-OE1 2.89Å; R482-E485 IonicContact NE-OE2 2.65Å; R482-E485 IonicContact NH2-OE1 2.71Å; R482-E485 PolarHBondContact NH2-OE1 3.34Å; R482-E485 VanDerWaalsContact NH2-OE1 3.13Å; R482-E485 IonicContact NH2-OE2 3.15Å; R482-E485 PolarHBondContact NH2-OE2 2.99Å; R482-E485 PolarHBondContact O-N 3.37Å; R482-E485 VanDerWaalsContact O-N 3.14Å; I483-E485 VanDerWaalsContact C-N 3.27Å; I483-E485 PolarHBondContact O-N 3.14Å; E485-P488 WeakPolarHBondContact O-CD 3.32Å; E485-P488 WeakPolarHBondContact O-CG 3.49Å; E485-Y489 WeakPolarHBondContact O-CD2 3.47Å
486	S	98.1	Very high	96.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.4	-34.2	178.1	71.4	0	0	0	0	113.9	G474 R482 I483 Y489 L490	G474-S486 WeakPolarHBondContact O-CB 3.5Å; R482-S486 PolarHBondContact O-N 3.35Å; I483-S486 WeakPolarHBondContact O-CB 3.49Å; I483-S486 PolarHBondContact O-N 3.1Å; I483-S486 VanDerWaalsContact O-N 3.13Å; I483-S486 PolarHBondContact O-OG 3.49Å; S486-Y489 PolarHBondContact O-N 3.07Å; S486-L490 WeakPolarHBondContact O-CB 3.31Å; S486-L490 PolarHBondContact O-N 3.07Å
487	I	98.4	Very high	96.7	Very high	22 Å²	22	49.8 Å²	49.8	11%	0.113	28%	0.276	C	S	.	.	H	α-helix	trans	-57.3	-52	-171.9	-67.4	168.3	0	0	0	113.3	Y489 K491 L510 A513 M514 V517	I487-Y489 PolarHBondContact O-N 2.93Å; I487-K491 WeakPolarHBondContact O-CB 3.44Å; I487-K491 PolarHBondContact O-N 2.62Å; I487-L510 HydrophobicContact CB-CD1 4.41Å; I487-L510 HydrophobicContact CG2-CD1 4.01Å; I487-A513 HydrophobicContact CD1-CB 4.3Å; I487-A513 HydrophobicContact CG1-CB 3.73Å; I487-M514 HydrophobicContact CD1-CG 4.31Å; I487-M514 HydrophobicContact CG1-CG 4.48Å; I487-M514 HydrophobicContact CG2-CE 3.84Å; I487-M514 HydrophobicContact CG2-CG 4.29Å; I487-V517 HydrophobicContact CD1-CG1 4.22Å; I487-V517 HydrophobicContact CD1-CG2 3.58Å
488	P	98.3	Very high	96.7	Very high	55 Å²	55	52.6 Å²	52.6	36%	0.357	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-41.4	179.7	22.7	-34	0	0	0	112.9	A484 E485 K491 E492	A484-P488 WeakPolarHBondContact O-CD 3.3Å; E485-P488 WeakPolarHBondContact O-CD 3.32Å; E485-P488 WeakPolarHBondContact O-CG 3.49Å; P488-K491 PolarHBondContact O-N 2.97Å; P488-E492 VanDerWaalsContact O-CB 3.31Å; P488-E492 WeakPolarHBondContact O-CB 3.02Å; P488-E492 WeakPolarHBondContact O-CG 3.47Å; P488-E492 PolarHBondContact O-N 3.32Å
489	Y	98.5	Very high	96.7	Very high	84 Å²	84	57.1 Å²	57.1	33%	0.329	32%	0.323	S	S	.	.	H	α-helix	trans	-67.8	-43.5	179.5	-70.4	-79.1	0	0	0	112.6	L460 K470 Y473 L477 E485 S486 I487 G493	L460-Y489 HydrophobicContact CD1-CD1 4.42Å; L460-Y489 HydrophobicContact CD1-CE1 4.25Å; K470-Y489 CarbonylContact C-O 3.55Å; K470-Y489 WeakPolarHBondContact CB-O 3.4Å; K470-Y489 HydrophobicContact CG-CD1 4.29Å; Y473-Y489 AromaticContact CD1-CD1 3.78Å; Y473-Y489 HydrophobicContact CD1-CD1 3.78Å; Y473-Y489 HydrophobicContact CD1-CD2 4.01Å; Y473-Y489 AromaticContact CD1-CE1 3.85Å; Y473-Y489 HydrophobicContact CD1-CE1 3.85Å; Y473-Y489 HydrophobicContact CD1-CE2 4.1Å; Y473-Y489 AromaticContact CD1-CG 3.86Å; Y473-Y489 HydrophobicContact CD1-CG 3.86Å; Y473-Y489 HydrophobicContact CE1-CD1 4.31Å; Y473-Y489 HydrophobicContact CE1-CD2 4.06Å; Y473-Y489 AromaticContact CE1-CE1 3.99Å; Y473-Y489 HydrophobicContact CE1-CE1 3.99Å; Y473-Y489 AromaticContact CE1-CE2 3.73Å; Y473-Y489 HydrophobicContact CE1-CE2 3.73Å; Y473-Y489 HydrophobicContact CE1-CG 4.35Å; Y473-Y489 AromaticContact CE1-CZ 3.69Å; L477-Y489 HydrophobicContact CD1-CD2 3.68Å; L477-Y489 HydrophobicContact CD1-CE2 4Å; E485-Y489 WeakPolarHBondContact O-CD2 3.47Å; S486-Y489 PolarHBondContact O-N 3.07Å; I487-Y489 PolarHBondContact O-N 2.93Å; Y489-G493 PolarHBondContact O-N 2.92Å
490	L	98.4	Very high	96.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-45.6	173.6	-77.7	167.4	0	0	0	111.2	V471 F475 S486 I494 F506 H509 L510	V471-L490 WeakPolarHBondContact O-CD2 3.14Å; F475-L490 HydrophobicContact CB-CD2 4.48Å; S486-L490 WeakPolarHBondContact O-CB 3.31Å; S486-L490 PolarHBondContact O-N 3.07Å; L490-I494 WeakPolarHBondContact O-CD1 3.35Å; L490-I494 VanDerWaalsContact O-CG1 3.31Å; L490-I494 WeakPolarHBondContact O-CG1 3.48Å; L490-I494 PolarHBondContact O-N 2.74Å; L490-F506 HydrophobicContact CD2-CB 4.17Å; L490-F506 HydrophobicContact CD2-CD1 3.91Å; L490-F506 HydrophobicContact CD2-CG 4.45Å; L490-H509 HydrophobicContact CD1-CB 4.38Å; L490-L510 HydrophobicContact CB-CB 4.15Å; L490-L510 HydrophobicContact CB-CD1 3.9Å; L490-L510 HydrophobicContact CB-CG 4.43Å; L490-L510 HydrophobicContact CD1-CB 4.44Å
491	K	98.4	Very high	97.1	Very high	63 Å²	63	54 Å²	54	27%	0.274	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-59.4	179.1	178	173.4	176.7	177	0	112.2	I487 P488 G493 I494 E495 L510 W525	I487-K491 WeakPolarHBondContact O-CB 3.44Å; I487-K491 PolarHBondContact O-N 2.62Å; P488-K491 PolarHBondContact O-N 2.97Å; K491-G493 PolarHBondContact O-N 2.82Å; K491-I494 PolarHBondContact O-N 3.28Å; K491-E495 WeakPolarHBondContact CE-OE1 3.38Å; K491-E495 VanDerWaalsContact CE-OE2 3.31Å; K491-E495 WeakPolarHBondContact CE-OE2 3.41Å; K491-E495 HydrophobicContact CG-CG 4.29Å; K491-E495 WeakPolarHBondContact CG-OE2 3.46Å; K491-E495 IonicContact NZ-OE1 2.77Å; K491-E495 WeakPolarHBondContact O-CB 3.37Å; K491-E495 WeakPolarHBondContact O-CG 3.18Å; K491-E495 PolarHBondContact O-N 3.27Å; K491-L510 HydrophobicContact CB-CD1 4.28Å; K491-L510 HydrophobicContact CB-CD2 4.07Å; K491-W525 HydrophobicContact CD-CZ2 4.09Å; K491-W525 HydrophobicContact CG-CH2 4.14Å; K491-W525 HydrophobicContact CG-CZ2 3.84Å
492	E	98.2	Very high	97.3	Very high	92 Å²	92	52.4 Å²	52.4	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-61.9	-30.2	-178.9	-70.6	177.6	-151.7	0	0	112.4	K470 P488 S496	K470-E492 HydrophobicContact CD-CB 3.85Å; K470-E492 IonicContact NZ-OE2 2.97Å; K470-E492 PolarHBondContact NZ-OE2 2.87Å; P488-E492 VanDerWaalsContact O-CB 3.31Å; P488-E492 WeakPolarHBondContact O-CB 3.02Å; P488-E492 WeakPolarHBondContact O-CG 3.47Å; P488-E492 PolarHBondContact O-N 3.32Å; E492-S496 PolarHBondContact O-N 3.02Å
493	G	98	Very high	97.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.3	-47.5	174.2	0	0	0	0	0	112.4	G467 V471 Y489 K491 S496 T501	G467-G493 WeakPolarHBondContact O-CA 3.23Å; V471-G493 VanDerWaalsContact CG1-CA 3.5Å; Y489-G493 PolarHBondContact O-N 2.92Å; K491-G493 PolarHBondContact O-N 2.82Å; G493-S496 WeakPolarHBondContact O-CB 3.31Å; G493-S496 PolarHBondContact O-N 3.3Å; G493-S496 PolarHBondContact O-OG 2.74Å; G493-T501 VanDerWaalsContact O-CB 3.29Å; G493-T501 WeakPolarHBondContact O-CB 3.5Å; G493-T501 WeakPolarHBondContact O-CG2 3.49Å; G493-T501 PolarHBondContact O-OG1 3.02Å
494	I	98.1	Very high	97.4	Very high	11 Å²	11	50 Å²	50	6%	0.056	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-43.3	174.7	-64.7	163	0	0	0	110.7	V471 L490 K491 S496 G497 F506 Y507 L510 W525	V471-I494 HydrophobicContact CG1-CG1 4.05Å; L490-I494 WeakPolarHBondContact O-CD1 3.35Å; L490-I494 VanDerWaalsContact O-CG1 3.31Å; L490-I494 WeakPolarHBondContact O-CG1 3.48Å; L490-I494 PolarHBondContact O-N 2.74Å; K491-I494 PolarHBondContact O-N 3.28Å; I494-S496 PolarHBondContact O-N 3.5Å; I494-S496 VanDerWaalsContact O-N 3.15Å; I494-G497 PolarHBondContact O-N 2.92Å; I494-F506 HydrophobicContact CD1-CB 3.85Å; I494-F506 HydrophobicContact CG1-CB 4.02Å; I494-Y507 HydrophobicContact CD1-CD1 4.36Å; I494-Y507 HydrophobicContact CD1-CG 4.42Å; I494-Y507 HydrophobicContact CG2-CE1 3.73Å; I494-Y507 HydrophobicContact CG2-CE2 4.23Å; I494-L510 HydrophobicContact CD1-CD2 3.86Å; I494-W525 HydrophobicContact CB-CZ3 4.3Å; I494-W525 HydrophobicContact CG2-CZ3 3.84Å
495	E	98.1	Very high	97.4	Very high	115 Å²	115	51.9 Å²	51.9	54%	0.537	29%	0.29	S	S	.	.	H	α-helix	trans	-64.4	-17	-179.8	-71	179.1	157.8	0	0	113.8	K491 W525	K491-E495 WeakPolarHBondContact CE-OE1 3.38Å; K491-E495 VanDerWaalsContact CE-OE2 3.31Å; K491-E495 WeakPolarHBondContact CE-OE2 3.41Å; K491-E495 HydrophobicContact CG-CG 4.29Å; K491-E495 WeakPolarHBondContact CG-OE2 3.46Å; K491-E495 IonicContact NZ-OE1 2.77Å; K491-E495 WeakPolarHBondContact O-CB 3.37Å; K491-E495 WeakPolarHBondContact O-CG 3.18Å; K491-E495 PolarHBondContact O-N 3.27Å; E495-W525 HydrophobicContact CG-CH2 3.76Å
496	S	97.7	Very high	97.5	Very high	51 Å²	51	47.6 Å²	47.6	36%	0.357	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-30.8	174.6	72.2	0	0	0	0	114.2	E492 G493 I494 D498	E492-S496 PolarHBondContact O-N 3.02Å; G493-S496 WeakPolarHBondContact O-CB 3.31Å; G493-S496 PolarHBondContact O-N 3.3Å; G493-S496 PolarHBondContact O-OG 2.74Å; I494-S496 PolarHBondContact O-N 3.5Å; I494-S496 VanDerWaalsContact O-N 3.15Å; S496-D498 PolarHBondContact O-N 2.94Å; S496-D498 PolarHBondContact OG-N 3.3Å; S496-D498 VanDerWaalsContact OG-N 3.09Å
497	G	96.3	Very high	97.5	Very high	63 Å²	63	47.9 Å²	47.9	65%	0.649	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	14.5	-168.2	0	0	0	0	0	115.5	I494	I494-G497 PolarHBondContact O-N 2.92Å
498	D	96.6	Very high	97.4	Very high	61 Å²	61	48.3 Å²	48.3	33%	0.326	27%	0.272	S	S	.	.			trans	-61.1	147.3	178.3	-87.7	-39.1	0	0	0	112.5	G467 S496 G500 T501	G467-D498 WeakPolarHBondContact CA-OD2 3.42Å; G467-D498 PolarHBondContact N-OD2 3.19Å; S496-D498 PolarHBondContact O-N 2.94Å; S496-D498 PolarHBondContact OG-N 3.3Å; S496-D498 VanDerWaalsContact OG-N 3.09Å; D498-G500 PolarHBondContact O-N 2.74Å; D498-T501 HydrophobicContact CB-CG2 3.96Å; D498-T501 PolarHBondContact O-N 3.49Å; D498-T501 PolarHBondContact O-OG1 2.75Å
499	P	96.2	Very high	97.4	Very high	118 Å²	118	47.5 Å²	47.5	77%	0.766	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	114	179.9	-25.8	35.2	0	0	0	112.7	F468	F468-P499 WeakPolarHBondContact CD2-O 3.38Å
500	G	94.4	Very high	97.4	Very high	41 Å²	41	43.5 Å²	43.5	42%	0.423	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.5	6.5	-178.2	0	0	0	0	0	115.6	D498	D498-G500 PolarHBondContact O-N 2.74Å
501	T	97.3	Very high	97.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-23.7	171.1	67.6	0	0	0	0	113.7	G467 V471 G493 D498 D503	G467-T501 WeakPolarHBondContact O-CG2 3.47Å; V471-T501 HydrophobicContact CG1-CG2 4.02Å; V471-T501 HydrophobicContact CG2-CG2 4.04Å; G493-T501 VanDerWaalsContact O-CB 3.29Å; G493-T501 WeakPolarHBondContact O-CB 3.5Å; G493-T501 WeakPolarHBondContact O-CG2 3.49Å; G493-T501 PolarHBondContact O-OG1 3.02Å; D498-T501 HydrophobicContact CB-CG2 3.96Å; D498-T501 PolarHBondContact O-N 3.49Å; D498-T501 PolarHBondContact O-OG1 2.75Å; T501-D503 PolarHBondContact O-N 2.82Å
502	D	97.4	Very high	97.3	Very high	66 Å²	66	41 Å²	41	35%	0.353	24%	0.237	S	C	.	.			trans	-79.4	70.3	174.9	-159.5	5	0	0	0	110.6	Y507 R532 H534	D502-Y507 VanDerWaalsContact OD1-CE2 3.3Å; D502-Y507 WeakPolarHBondContact OD1-CE2 3.26Å; D502-Y507 PolarHBondContact OD1-OH 3.08Å; D502-Y507 VanDerWaalsContact OD1-OH 3.06Å; D502-R532 WeakPolarHBondContact OD2-CD 3.14Å; D502-R532 IonicContact OD2-CZ 2.67Å; D502-R532 IonicContact OD2-NE 3.19Å; D502-R532 IonicContact OD2-NH1 2.71Å; D502-R532 PolarHBondContact OD2-NH1 2.84Å; D502-H534 PolarHBondContact O-CE1 2.79Å; D502-H534 PolarHBondContact O-NE2 3.07Å; D502-H534 IonicContact OD1-CD2 2.83Å; D502-H534 IonicContact OD1-CE1 3.97Å; D502-H534 IonicContact OD1-NE2 3.51Å; D502-H534 PolarHBondContact OD1-NE2 3.09Å
503	D	96.9	Very high	97.2	Very high	42 Å²	42	36.6 Å²	36.6	23%	0.225	22%	0.216	C	C	.	.			trans	-134.2	129.3	-176	179.2	-48.8	0	0	0	110.2	T501 R505 F506 Y507	T501-D503 PolarHBondContact O-N 2.82Å; D503-R505 PolarHBondContact O-N 3.35Å; D503-R505 WeakPolarHBondContact OD1-CB 3.39Å; D503-R505 VanDerWaalsContact OD1-CG 3.25Å; D503-R505 WeakPolarHBondContact OD1-CG 3.47Å; D503-R505 IonicContact OD1-CZ 3.64Å; D503-R505 PolarHBondContact OD1-N 2.7Å; D503-R505 IonicContact OD1-NE 3.43Å; D503-R505 PolarHBondContact OD1-NE 3.12Å; D503-R505 IonicContact OD1-NH2 3.82Å; D503-R505 IonicContact OD2-CZ 2.74Å; D503-R505 VanDerWaalsContact OD2-CZ 3.28Å; D503-R505 IonicContact OD2-NE 2.72Å; D503-R505 PolarHBondContact OD2-NE 3.34Å; D503-R505 IonicContact OD2-NH2 2.78Å; D503-R505 PolarHBondContact OD2-NH2 2.91Å; D503-F506 HydrophobicContact CB-CD2 3.76Å; D503-F506 HydrophobicContact CB-CE2 3.87Å; D503-F506 PolarHBondContact O-N 3.16Å; D503-Y507 WeakPolarHBondContact O-CD2 3.41Å; D503-Y507 PolarHBondContact O-N 3.22Å
504	G	96.6	Very high	97.2	Very high	4 Å²	4	36.7 Å²	36.7	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-52.2	-27.8	-177.3	0	0	0	0	0	115.5	F506 Y507 F508 H534	G504-F506 VanDerWaalsContact C-N 3.32Å; G504-F506 PolarHBondContact O-N 3.35Å; G504-Y507 PolarHBondContact O-N 2.8Å; G504-F508 WeakPolarHBondContact O-CB 3.47Å; G504-F508 PolarHBondContact O-N 3.06Å; G504-H534 PolarHBondContact N-ND1 3.36Å
505	R	96.9	Very high	97.1	Very high	108 Å²	108	37.4 Å²	37.4	41%	0.408	22%	0.22	S	C	.	.	H	α-helix	trans	-60.4	-41.4	174.9	-63.7	174.8	-68.2	158.4	0.4	111.6	D503 H509 L543	D503-R505 PolarHBondContact O-N 3.35Å; D503-R505 WeakPolarHBondContact OD1-CB 3.39Å; D503-R505 VanDerWaalsContact OD1-CG 3.25Å; D503-R505 WeakPolarHBondContact OD1-CG 3.47Å; D503-R505 IonicContact OD1-CZ 3.64Å; D503-R505 PolarHBondContact OD1-N 2.7Å; D503-R505 IonicContact OD1-NE 3.43Å; D503-R505 PolarHBondContact OD1-NE 3.12Å; D503-R505 IonicContact OD1-NH2 3.82Å; D503-R505 IonicContact OD2-CZ 2.74Å; D503-R505 VanDerWaalsContact OD2-CZ 3.28Å; D503-R505 IonicContact OD2-NE 2.72Å; D503-R505 PolarHBondContact OD2-NE 3.34Å; D503-R505 IonicContact OD2-NH2 2.78Å; D503-R505 PolarHBondContact OD2-NH2 2.91Å; R505-H509 WeakPolarHBondContact O-CB 3.27Å; R505-H509 PolarHBondContact O-CD2 3.2Å; R505-H509 PolarHBondContact O-N 3.42Å; R505-L543 HydrophobicContact CB-CD1 4.43Å; R505-L543 HydrophobicContact CG-CD1 3.63Å
506	F	98.2	Very high	97	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.009	20%	0.2	C	C	.	.	H	α-helix	trans	-75.7	-39.8	-178.4	-53.8	-53.1	0	0	0	111.7	V471 H472 F475 L490 I494 D503 G504 F508 H509 L510	V471-F506 HydrophobicContact CB-CB 4.39Å; V471-F506 HydrophobicContact CB-CD1 3.75Å; V471-F506 HydrophobicContact CB-CD2 3.79Å; V471-F506 HydrophobicContact CB-CE1 3.93Å; V471-F506 HydrophobicContact CB-CE2 3.97Å; V471-F506 HydrophobicContact CB-CG 3.7Å; V471-F506 HydrophobicContact CB-CZ 4.05Å; V471-F506 HydrophobicContact CG1-CB 4.44Å; V471-F506 HydrophobicContact CG1-CD2 4.18Å; V471-F506 HydrophobicContact CG1-CG 4.18Å; V471-F506 HydrophobicContact CG2-CD1 4.22Å; V471-F506 HydrophobicContact CG2-CD2 3.73Å; V471-F506 HydrophobicContact CG2-CE1 3.95Å; V471-F506 HydrophobicContact CG2-CE2 3.43Å; V471-F506 VanDerWaalsContact CG2-CE2 3.43Å; V471-F506 HydrophobicContact CG2-CG 4.13Å; V471-F506 HydrophobicContact CG2-CZ 3.57Å; H472-F506 AromaticContact CD2-CZ 3.96Å; H472-F506 AromaticContact CE1-CZ 3.61Å; H472-F506 AromaticContact ND1-CZ 3.97Å; H472-F506 AromaticContact NE2-CZ 3.61Å; F475-F506 HydrophobicContact CB-CD1 4.38Å; F475-F506 HydrophobicContact CB-CE1 4.13Å; L490-F506 HydrophobicContact CD2-CB 4.17Å; L490-F506 HydrophobicContact CD2-CD1 3.91Å; L490-F506 HydrophobicContact CD2-CG 4.45Å; I494-F506 HydrophobicContact CD1-CB 3.85Å; I494-F506 HydrophobicContact CG1-CB 4.02Å; D503-F506 HydrophobicContact CB-CD2 3.76Å; D503-F506 HydrophobicContact CB-CE2 3.87Å; D503-F506 PolarHBondContact O-N 3.16Å; G504-F506 VanDerWaalsContact C-N 3.32Å; G504-F506 PolarHBondContact O-N 3.35Å; F506-F508 VanDerWaalsContact C-N 3.33Å; F506-F508 PolarHBondContact O-N 3.15Å; F506-H509 PolarHBondContact O-N 2.97Å; F506-L510 WeakPolarHBondContact O-CB 3.35Å; F506-L510 PolarHBondContact O-N 2.86Å
507	Y	98.4	Very high	96.9	Very high	6 Å²	6	34.3 Å²	34.3	2%	0.024	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-43.9	170.9	-71.6	-82.7	0	0	0	111.9	I494 D502 D503 G504 G511 W525 L528 H534	I494-Y507 HydrophobicContact CD1-CD1 4.36Å; I494-Y507 HydrophobicContact CD1-CG 4.42Å; I494-Y507 HydrophobicContact CG2-CE1 3.73Å; I494-Y507 HydrophobicContact CG2-CE2 4.23Å; D502-Y507 VanDerWaalsContact OD1-CE2 3.3Å; D502-Y507 WeakPolarHBondContact OD1-CE2 3.26Å; D502-Y507 PolarHBondContact OD1-OH 3.08Å; D502-Y507 VanDerWaalsContact OD1-OH 3.06Å; D503-Y507 WeakPolarHBondContact O-CD2 3.41Å; D503-Y507 PolarHBondContact O-N 3.22Å; G504-Y507 PolarHBondContact O-N 2.8Å; Y507-G511 PolarHBondContact O-N 3.35Å; Y507-W525 HydrophobicContact CD1-CE3 4.08Å; Y507-W525 HydrophobicContact CE1-CE3 4.08Å; Y507-W525 HydrophobicContact CE1-CZ3 4.37Å; Y507-L528 HydrophobicContact CE1-CB 4.29Å; Y507-L528 HydrophobicContact CE1-CD2 3.91Å; Y507-L528 HydrophobicContact CE1-CG 3.8Å; Y507-H534 AromaticContact CD2-CD2 3.47Å; Y507-H534 VanDerWaalsContact CD2-CD2 3.47Å; Y507-H534 WeakPolarHBondContact CD2-CD2 3.4Å; Y507-H534 AromaticContact CD2-NE2 3.93Å; Y507-H534 AromaticContact CE2-CD2 3.42Å; Y507-H534 VanDerWaalsContact CE2-CD2 3.42Å; Y507-H534 WeakPolarHBondContact CE2-CD2 3.49Å; Y507-H534 AromaticContact CE2-NE2 3.52Å
508	F	97.6	Very high	96.9	Very high	31 Å²	31	33.9 Å²	33.9	14%	0.136	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-51.3	-179.8	174.9	-104.8	0	0	0	110.8	G504 F506 G511 D512 F535 R541 T659	G504-F508 WeakPolarHBondContact O-CB 3.47Å; G504-F508 PolarHBondContact O-N 3.06Å; F506-F508 VanDerWaalsContact C-N 3.33Å; F506-F508 PolarHBondContact O-N 3.15Å; F508-G511 PolarHBondContact O-N 3.17Å; F508-D512 WeakPolarHBondContact O-CB 3.43Å; F508-D512 PolarHBondContact O-N 3.38Å; F508-F535 HydrophobicContact CB-CE1 4.08Å; F508-F535 HydrophobicContact CB-CZ 3.96Å; F508-R541 HydrophobicContact CD2-CB 4.26Å; F508-T659 WeakPolarHBondContact CE2-OG1 3.3Å
509	H	97.3	Very high	96.8	Very high	39 Å²	39	33.7 Å²	33.7	18%	0.181	20%	0.198	C	C	.	.	H	α-helix	trans	-70.9	-30.5	-178.3	-73.5	-42	0	0	0	113.9	F475 K478 L490 R505 F506 A513	F475-H509 AromaticContact CD2-CD2 3.47Å; F475-H509 VanDerWaalsContact CD2-CD2 3.47Å; F475-H509 WeakPolarHBondContact CD2-CD2 3.41Å; F475-H509 AromaticContact CD2-NE2 3.93Å; F475-H509 AromaticContact CE2-CD2 3.59Å; F475-H509 AromaticContact CE2-NE2 3.52Å; K478-H509 HydrophobicContact CD-CB 3.62Å; K478-H509 WeakPolarHBondContact CD-O 3.35Å; K478-H509 VanDerWaalsContact CE-O 3.23Å; K478-H509 WeakPolarHBondContact CE-O 3.48Å; L490-H509 HydrophobicContact CD1-CB 4.38Å; R505-H509 WeakPolarHBondContact O-CB 3.27Å; R505-H509 PolarHBondContact O-CD2 3.2Å; R505-H509 PolarHBondContact O-N 3.42Å; F506-H509 PolarHBondContact O-N 2.97Å; H509-A513 WeakPolarHBondContact O-CB 3.45Å; H509-A513 PolarHBondContact O-N 3.27Å
510	L	98.3	Very high	96.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.5	-45.7	171.7	-179.4	55.1	0	0	0	111.4	I487 L490 K491 I494 F506 A513 M514 W525	I487-L510 HydrophobicContact CB-CD1 4.41Å; I487-L510 HydrophobicContact CG2-CD1 4.01Å; L490-L510 HydrophobicContact CB-CB 4.15Å; L490-L510 HydrophobicContact CB-CD1 3.9Å; L490-L510 HydrophobicContact CB-CG 4.43Å; L490-L510 HydrophobicContact CD1-CB 4.44Å; K491-L510 HydrophobicContact CB-CD1 4.28Å; K491-L510 HydrophobicContact CB-CD2 4.07Å; I494-L510 HydrophobicContact CD1-CD2 3.86Å; F506-L510 WeakPolarHBondContact O-CB 3.35Å; F506-L510 PolarHBondContact O-N 2.86Å; L510-A513 PolarHBondContact O-N 2.66Å; L510-M514 HydrophobicContact CD1-CE 3.88Å; L510-M514 HydrophobicContact CD1-CG 4.43Å; L510-M514 HydrophobicContact CG-CE 4.27Å; L510-M514 WeakPolarHBondContact O-CB 3.43Å; L510-M514 WeakPolarHBondContact O-CG 3.21Å; L510-M514 PolarHBondContact O-N 3.35Å; L510-W525 HydrophobicContact CD2-CD2 3.5Å; L510-W525 VanDerWaalsContact CD2-CD2 3.5Å; L510-W525 HydrophobicContact CD2-CE3 3.64Å; L510-W525 HydrophobicContact CD2-CG 3.92Å; L510-W525 HydrophobicContact CD2-CH2 4.45Å; L510-W525 HydrophobicContact CD2-CZ2 4.33Å; L510-W525 HydrophobicContact CD2-CZ3 4.12Å; L510-W525 HydrophobicContact CG-CD2 4.33Å; L510-W525 HydrophobicContact CG-CG 4.24Å
511	G	97.4	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-45.2	176.9	0	0	0	0	0	112.7	Y507 F508 M514 Q515 A522 Y526	Y507-G511 PolarHBondContact O-N 3.35Å; F508-G511 PolarHBondContact O-N 3.17Å; G511-M514 PolarHBondContact O-N 3.39Å; G511-Q515 PolarHBondContact O-N 3.32Å; G511-A522 WeakPolarHBondContact O-CB 3.42Å; G511-Y526 VanDerWaalsContact C-OH 3.24Å
512	D	96.9	Very high	96.7	Very high	9 Å²	9	38 Å²	38	5%	0.048	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-42.7	177.1	171.5	37.4	0	0	0	111.2	K478 F508 M514 Q515 R516 Y526	K478-D512 WeakPolarHBondContact CE-OD2 3.25Å; K478-D512 IonicContact NZ-OD2 3.94Å; K478-D512 PolarHBondContact NZ-OD2 2.97Å; F508-D512 WeakPolarHBondContact O-CB 3.43Å; F508-D512 PolarHBondContact O-N 3.38Å; D512-M514 VanDerWaalsContact C-N 3.33Å; D512-M514 PolarHBondContact O-N 3.45Å; D512-Q515 PolarHBondContact O-N 2.8Å; D512-R516 VanDerWaalsContact O-CG 3.29Å; D512-R516 WeakPolarHBondContact O-CG 3.5Å; D512-R516 PolarHBondContact O-N 3.44Å; D512-R516 VanDerWaalsContact O-N 3.08Å; D512-R516 IonicContact OD1-CZ 2.7Å; D512-R516 IonicContact OD1-NE 3.81Å; D512-R516 PolarHBondContact OD1-NE 2.94Å; D512-R516 IonicContact OD1-NH2 3.63Å; D512-R516 PolarHBondContact OD1-NH2 3.31Å; D512-R516 VanDerWaalsContact OD1-NH2 3.1Å; D512-R516 IonicContact OD2-CZ 3.48Å; D512-R516 IonicContact OD2-NE 2.73Å; D512-R516 PolarHBondContact OD2-NE 2.99Å; D512-R516 IonicContact OD2-NH2 2.7Å; D512-R516 PolarHBondContact OD2-NH2 3.14Å; D512-Y526 PolarHBondContact N-OH 2.94Å
513	A	97.3	Very high	96.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.3	-40.4	173.1	0	0	0	0	0	112.4	K478 I483 I487 H509 L510 V517	K478-A513 HydrophobicContact CD-CB 4.18Å; K478-A513 HydrophobicContact CG-CB 4.44Å; I483-A513 HydrophobicContact CG2-CB 3.78Å; I483-A513 WeakPolarHBondContact CG2-O 3.49Å; I487-A513 HydrophobicContact CD1-CB 4.3Å; I487-A513 HydrophobicContact CG1-CB 3.73Å; H509-A513 WeakPolarHBondContact O-CB 3.45Å; H509-A513 PolarHBondContact O-N 3.27Å; L510-A513 PolarHBondContact O-N 2.66Å; A513-V517 PolarHBondContact O-N 3.25Å
514	M	97.9	Very high	96.7	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-66.1	-42.2	174.4	-78.5	-170.7	-179.4	0	0	112.8	I487 L510 G511 D512 R516 V517 G518 N519 E521 A522 W525	I487-M514 HydrophobicContact CD1-CG 4.31Å; I487-M514 HydrophobicContact CG1-CG 4.48Å; I487-M514 HydrophobicContact CG2-CE 3.84Å; I487-M514 HydrophobicContact CG2-CG 4.29Å; L510-M514 HydrophobicContact CD1-CE 3.88Å; L510-M514 HydrophobicContact CD1-CG 4.43Å; L510-M514 HydrophobicContact CG-CE 4.27Å; L510-M514 WeakPolarHBondContact O-CB 3.43Å; L510-M514 WeakPolarHBondContact O-CG 3.21Å; L510-M514 PolarHBondContact O-N 3.35Å; G511-M514 PolarHBondContact O-N 3.39Å; D512-M514 VanDerWaalsContact C-N 3.33Å; D512-M514 PolarHBondContact O-N 3.45Å; M514-R516 PolarHBondContact O-N 3.07Å; M514-V517 WeakPolarHBondContact O-CG2 3.34Å; M514-V517 PolarHBondContact O-N 3.25Å; M514-G518 PolarHBondContact O-N 3.07Å; M514-N519 HydrophobicContact CB-CB 4.09Å; M514-N519 HydrophobicContact CG-CB 4.32Å; M514-N519 WeakPolarHBondContact O-CB 3.41Å; M514-N519 PolarHBondContact O-N 3.21Å; M514-E521 HydrophobicContact SD-CB 4.01Å; M514-A522 HydrophobicContact CB-CB 3.69Å; M514-W525 VanDerWaalsContact SD-CD1 3.58Å
515	Q	96.2	Very high	96.8	Very high	25 Å²	25	43.2 Å²	43.2	12%	0.117	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-45.1	177	-77.8	178.2	-51.5	0	0	111.4	G511 D512 V517 G518 A522 Y523 Y526 E703	G511-Q515 PolarHBondContact O-N 3.32Å; D512-Q515 PolarHBondContact O-N 2.8Å; Q515-V517 VanDerWaalsContact C-N 3.29Å; Q515-V517 PolarHBondContact O-N 3.29Å; Q515-G518 WeakPolarHBondContact O-CA 3.43Å; Q515-G518 PolarHBondContact O-N 2.89Å; Q515-A522 HydrophobicContact CG-CB 3.65Å; Q515-Y523 PolarHBondContact NE2-OH 3.19Å; Q515-Y526 PolarHBondContact OE1-OH 3.26Å; Q515-E703 PolarHBondContact NE2-OE2 2.63Å
516	R	95.3	Very high	96.9	Very high	29 Å²	29	38.1 Å²	38.1	11%	0.109	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-28.5	179.1	-69.4	170.2	-169.1	-117.8	-2	114.7	I483 D512 M514 G518 N597 W656	I483-R516 HydrophobicContact CG2-CB 4.09Å; D512-R516 VanDerWaalsContact O-CG 3.29Å; D512-R516 WeakPolarHBondContact O-CG 3.5Å; D512-R516 PolarHBondContact O-N 3.44Å; D512-R516 VanDerWaalsContact O-N 3.08Å; D512-R516 IonicContact OD1-CZ 2.7Å; D512-R516 IonicContact OD1-NE 3.81Å; D512-R516 PolarHBondContact OD1-NE 2.94Å; D512-R516 IonicContact OD1-NH2 3.63Å; D512-R516 PolarHBondContact OD1-NH2 3.31Å; D512-R516 VanDerWaalsContact OD1-NH2 3.1Å; D512-R516 IonicContact OD2-CZ 3.48Å; D512-R516 IonicContact OD2-NE 2.73Å; D512-R516 PolarHBondContact OD2-NE 2.99Å; D512-R516 IonicContact OD2-NH2 2.7Å; D512-R516 PolarHBondContact OD2-NH2 3.14Å; M514-R516 PolarHBondContact O-N 3.07Å; R516-G518 VanDerWaalsContact C-N 3.33Å; R516-N597 VanDerWaalsContact CZ-O 3.26Å; R516-N597 PolarHBondContact NH1-O 3.43Å; R516-N597 PolarHBondContact NH2-O 3.48Å; R516-W656 HydrophobicContact CB-CH2 4.42Å; R516-W656 HydrophobicContact CB-CZ2 4.29Å; R516-W656 HydrophobicContact CG-CD2 3.78Å; R516-W656 HydrophobicContact CG-CE3 4.19Å; R516-W656 HydrophobicContact CG-CG 4.03Å; R516-W656 HydrophobicContact CG-CZ2 4.28Å; R516-W656 WeakPolarHBondContact O-CH2 3.27Å
517	V	96.3	Very high	96.9	Very high	72 Å²	72	41.2 Å²	41.2	44%	0.436	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	12.3	173.3	-54.9	0	0	0	0	112.9	I483 A484 I487 A513 M514 Q515 N519	I483-V517 HydrophobicContact CG2-CG1 4.04Å; A484-V517 HydrophobicContact CB-CG1 4.41Å; I487-V517 HydrophobicContact CD1-CG1 4.22Å; I487-V517 HydrophobicContact CD1-CG2 3.58Å; A513-V517 PolarHBondContact O-N 3.25Å; M514-V517 WeakPolarHBondContact O-CG2 3.34Å; M514-V517 PolarHBondContact O-N 3.25Å; Q515-V517 VanDerWaalsContact C-N 3.29Å; Q515-V517 PolarHBondContact O-N 3.29Å; V517-N519 HydrophobicContact CG2-CB 4.01Å; V517-N519 PolarHBondContact O-N 2.94Å
518	G	94.7	Very high	96.9	Very high	55 Å²	55	43.9 Å²	43.9	57%	0.567	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.4	7	179.8	0	0	0	0	0	115.1	M514 Q515 R516 K520	M514-G518 PolarHBondContact O-N 3.07Å; Q515-G518 WeakPolarHBondContact O-CA 3.43Å; Q515-G518 PolarHBondContact O-N 2.89Å; R516-G518 VanDerWaalsContact C-N 3.33Å; G518-K520 PolarHBondContact O-N 2.76Å
519	N	95.4	Very high	96.9	Very high	56 Å²	56	42.4 Å²	42.4	30%	0.299	21%	0.212	S	C	.	.			trans	-75.7	109.5	-176.9	-175.8	0	0	0	0	111.2	M514 V517 E521 A522	M514-N519 HydrophobicContact CB-CB 4.09Å; M514-N519 HydrophobicContact CG-CB 4.32Å; M514-N519 WeakPolarHBondContact O-CB 3.41Å; M514-N519 PolarHBondContact O-N 3.21Å; V517-N519 HydrophobicContact CG2-CB 4.01Å; V517-N519 PolarHBondContact O-N 2.94Å; N519-E521 PolarHBondContact O-N 1.94Å; N519-E521 VanDerWaalsContact O-N 3.09Å; N519-E521 WeakPolarHBondContact OD1-CB 3.39Å; N519-E521 WeakPolarHBondContact OD1-CG 3.45Å; N519-E521 PolarHBondContact OD1-N 3.33Å; N519-A522 PolarHBondContact O-N 3.1Å
520	K	92.5	Very high	96.9	Very high	182 Å²	182	44 Å²	44	79%	0.791	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.5	178.2	-59.7	-64.7	-176.2	179.1	0	114.1	G518 A522	G518-K520 PolarHBondContact O-N 2.76Å; K520-A522 PolarHBondContact O-N 3.43Å
521	E	95.8	Very high	96.9	Very high	67 Å²	67	51.2 Å²	51.2	31%	0.313	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.6	176.2	-63.9	-153.5	124.8	0	0	114.3	M514 N519 Y523 K524	M514-E521 HydrophobicContact SD-CB 4.01Å; N519-E521 PolarHBondContact O-N 1.94Å; N519-E521 VanDerWaalsContact O-N 3.09Å; N519-E521 WeakPolarHBondContact OD1-CB 3.39Å; N519-E521 WeakPolarHBondContact OD1-CG 3.45Å; N519-E521 PolarHBondContact OD1-N 3.33Å; E521-Y523 PolarHBondContact O-N 2.37Å; E521-Y523 VanDerWaalsContact O-N 3.15Å; E521-K524 HydrophobicContact CB-CD 4.25Å; E521-K524 HydrophobicContact CG-CD 4.22Å; E521-K524 VanDerWaalsContact O-CB 3.26Å; E521-K524 WeakPolarHBondContact O-CB 3.35Å; E521-K524 PolarHBondContact O-N 2.76Å; E521-K524 IonicContact OE1-NZ 2.96Å; E521-K524 PolarHBondContact OE1-NZ 3.47Å
522	A	97.6	Very high	96.9	Very high	1 Å²	1	58 Å²	58	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-46.5	-44.9	176.1	0	0	0	0	0	113.6	G511 M514 Q515 N519 K520 K524 W525 Y526	G511-A522 WeakPolarHBondContact O-CB 3.42Å; M514-A522 HydrophobicContact CB-CB 3.69Å; Q515-A522 HydrophobicContact CG-CB 3.65Å; N519-A522 PolarHBondContact O-N 3.1Å; K520-A522 PolarHBondContact O-N 3.43Å; A522-K524 VanDerWaalsContact C-N 3.26Å; A522-K524 PolarHBondContact O-N 3.23Å; A522-W525 WeakPolarHBondContact O-CB 3.21Å; A522-W525 PolarHBondContact O-N 2.88Å; A522-Y526 PolarHBondContact O-N 3.3Å; A522-Y526 VanDerWaalsContact O-N 3.07Å
523	Y	97.1	Very high	96.9	Very high	76 Å²	76	60.7 Å²	60.7	30%	0.298	31%	0.306	S	S	.	.	H	α-helix	trans	-67.9	-22	-179.2	-68.4	-81	0	0	0	113.6	Q515 E521 W525 Y526 E527 V538 W539 E703	Q515-Y523 PolarHBondContact NE2-OH 3.19Å; E521-Y523 PolarHBondContact O-N 2.37Å; E521-Y523 VanDerWaalsContact O-N 3.15Å; Y523-W525 VanDerWaalsContact C-N 3.31Å; Y523-Y526 AromaticContact CD1-CD2 3.98Å; Y523-Y526 HydrophobicContact CD1-CD2 3.98Å; Y523-Y526 HydrophobicContact CE1-CD2 4.36Å; Y523-Y526 HydrophobicContact CG-CD2 4.49Å; Y523-E527 WeakPolarHBondContact O-CB 3.48Å; Y523-E527 PolarHBondContact O-N 2.76Å; Y523-V538 HydrophobicContact CD1-CG1 3.85Å; Y523-W539 HydrophobicContact CE1-CE3 4.41Å; Y523-W539 HydrophobicContact CE1-CH2 4.03Å; Y523-W539 AromaticContact CE1-CZ3 3.76Å; Y523-W539 HydrophobicContact CE1-CZ3 3.76Å; Y523-E703 PolarHBondContact OH-OE1 3.13Å; Y523-E703 VanDerWaalsContact OH-OE1 3.07Å; Y523-E703 PolarHBondContact OH-OE2 2.71Å
524	K	98	Very high	96.9	Very high	128 Å²	128	62.8 Å²	62.8	56%	0.557	32%	0.316	S	S	*	.	H	α-helix	trans	-66.6	-35.6	170	-56.9	-179.4	-179.7	179.8	0	111.2	E521 A522 L528	E521-K524 HydrophobicContact CB-CD 4.25Å; E521-K524 HydrophobicContact CG-CD 4.22Å; E521-K524 VanDerWaalsContact O-CB 3.26Å; E521-K524 WeakPolarHBondContact O-CB 3.35Å; E521-K524 PolarHBondContact O-N 2.76Å; E521-K524 IonicContact OE1-NZ 2.96Å; E521-K524 PolarHBondContact OE1-NZ 3.47Å; A522-K524 VanDerWaalsContact C-N 3.26Å; A522-K524 PolarHBondContact O-N 3.23Å; K524-L528 WeakPolarHBondContact O-CB 3.27Å; K524-L528 PolarHBondContact O-N 3.43Å
525	W	98.2	Very high	97	Very high	19 Å²	19	63 Å²	63	7%	0.072	32%	0.317	C	S	.	.	H	α-helix	trans	-77.1	-34.4	177.9	-67.4	95.6	0	0	0	112.4	K491 I494 E495 Y507 L510 M514 A522 Y523 L528 G529	K491-W525 HydrophobicContact CD-CZ2 4.09Å; K491-W525 HydrophobicContact CG-CH2 4.14Å; K491-W525 HydrophobicContact CG-CZ2 3.84Å; I494-W525 HydrophobicContact CB-CZ3 4.3Å; I494-W525 HydrophobicContact CG2-CZ3 3.84Å; E495-W525 HydrophobicContact CG-CH2 3.76Å; Y507-W525 HydrophobicContact CD1-CE3 4.08Å; Y507-W525 HydrophobicContact CE1-CE3 4.08Å; Y507-W525 HydrophobicContact CE1-CZ3 4.37Å; L510-W525 HydrophobicContact CD2-CD2 3.5Å; L510-W525 VanDerWaalsContact CD2-CD2 3.5Å; L510-W525 HydrophobicContact CD2-CE3 3.64Å; L510-W525 HydrophobicContact CD2-CG 3.92Å; L510-W525 HydrophobicContact CD2-CH2 4.45Å; L510-W525 HydrophobicContact CD2-CZ2 4.33Å; L510-W525 HydrophobicContact CD2-CZ3 4.12Å; L510-W525 HydrophobicContact CG-CD2 4.33Å; L510-W525 HydrophobicContact CG-CG 4.24Å; M514-W525 VanDerWaalsContact SD-CD1 3.58Å; A522-W525 WeakPolarHBondContact O-CB 3.21Å; A522-W525 PolarHBondContact O-N 2.88Å; Y523-W525 VanDerWaalsContact C-N 3.31Å; W525-L528 HydrophobicContact CE3-CD2 4.15Å; W525-L528 HydrophobicContact CZ3-CD2 3.93Å; W525-G529 PolarHBondContact O-N 3.47Å
526	Y	98.3	Very high	97	Very high	1 Å²	1	64.4 Å²	64.4	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-66.6	-42.4	169.6	-62.3	-33.1	0	0	0	112.4	G511 D512 Q515 A522 Y523 G529 H530 F535 R541	G511-Y526 VanDerWaalsContact C-OH 3.24Å; D512-Y526 PolarHBondContact N-OH 2.94Å; Q515-Y526 PolarHBondContact OE1-OH 3.26Å; A522-Y526 PolarHBondContact O-N 3.3Å; A522-Y526 VanDerWaalsContact O-N 3.07Å; Y523-Y526 AromaticContact CD1-CD2 3.98Å; Y523-Y526 HydrophobicContact CD1-CD2 3.98Å; Y523-Y526 HydrophobicContact CE1-CD2 4.36Å; Y523-Y526 HydrophobicContact CG-CD2 4.49Å; Y526-G529 PolarHBondContact O-N 3.03Å; Y526-H530 WeakPolarHBondContact O-CB 3.34Å; Y526-H530 PolarHBondContact O-N 2.72Å; Y526-F535 HydrophobicContact CD1-CE2 4.1Å; Y526-R541 VanDerWaalsContact CG-CD 3.49Å; Y526-R541 VanDerWaalsContact CZ-CZ 3.4Å; Y526-R541 PolarHBondContact OH-NH2 2.64Å
527	E	98.4	Very high	97.2	Very high	67 Å²	67	64.5 Å²	64.5	31%	0.313	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-41.2	173.2	175.2	63.9	-177	0	0	112.4	Y523 K531 V538	Y523-E527 WeakPolarHBondContact O-CB 3.48Å; Y523-E527 PolarHBondContact O-N 2.76Å; E527-K531 HydrophobicContact CG-CD 4.35Å; E527-K531 WeakPolarHBondContact O-CB 3.25Å; E527-K531 WeakPolarHBondContact O-CG 3.42Å; E527-K531 PolarHBondContact O-N 3.36Å; E527-K531 WeakPolarHBondContact OE1-CE 3.3Å; E527-K531 IonicContact OE1-NZ 2.74Å; E527-K531 PolarHBondContact OE1-NZ 2.88Å; E527-V538 HydrophobicContact CB-CG2 4.22Å; E527-V538 WeakPolarHBondContact OE2-CG2 3.26Å
528	L	98.2	Very high	97.2	Very high	62 Å²	62	62.3 Å²	62.3	33%	0.325	33%	0.325	S	S	.	.	H	α-helix	trans	-67	-43	174.5	-177.9	57	0	0	0	111.8	Y507 K524 W525 H530 K531 R532	Y507-L528 HydrophobicContact CE1-CB 4.29Å; Y507-L528 HydrophobicContact CE1-CD2 3.91Å; Y507-L528 HydrophobicContact CE1-CG 3.8Å; K524-L528 WeakPolarHBondContact O-CB 3.27Å; K524-L528 PolarHBondContact O-N 3.43Å; W525-L528 HydrophobicContact CE3-CD2 4.15Å; W525-L528 HydrophobicContact CZ3-CD2 3.93Å; L528-H530 PolarHBondContact O-N 3.47Å; L528-K531 PolarHBondContact O-N 2.98Å; L528-R532 HydrophobicContact CD1-CG 4.43Å; L528-R532 VanDerWaalsContact O-CG 3.24Å; L528-R532 WeakPolarHBondContact O-CG 3.36Å; L528-R532 PolarHBondContact O-N 3.26Å
529	G	98.1	Very high	97.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-40	175.9	0	0	0	0	0	112.7	W525 Y526 R532 G533 H534	W525-G529 PolarHBondContact O-N 3.47Å; Y526-G529 PolarHBondContact O-N 3.03Å; G529-R532 PolarHBondContact O-N 3.27Å; G529-G533 PolarHBondContact O-N 2.85Å; G529-H534 WeakPolarHBondContact O-CB 3.41Å; G529-H534 PolarHBondContact O-N 2.92Å
530	H	98.1	Very high	97.5	Very high	71 Å²	71	61.8 Å²	61.8	33%	0.329	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-48	172	173.9	50.2	0	0	0	111.6	Y526 L528 R532 G533 F535 A536	Y526-H530 WeakPolarHBondContact O-CB 3.34Å; Y526-H530 PolarHBondContact O-N 2.72Å; L528-H530 PolarHBondContact O-N 3.47Å; H530-R532 PolarHBondContact O-N 3.47Å; H530-G533 PolarHBondContact O-N 2.98Å; H530-F535 HydrophobicContact CB-CB 4.39Å; H530-F535 PolarHBondContact ND1-O 3.2Å; H530-A536 PolarHBondContact CE1-O 2.94Å; H530-A536 VanDerWaalsContact CE1-O 3.23Å; H530-A536 PolarHBondContact ND1-O 3.34Å
531	K	98.2	Very high	97.8	Very high	152 Å²	152	53.1 Å²	53.1	66%	0.661	26%	0.264	S	S	*	.	H	α-helix	trans	-62.7	-19.8	175.3	-81.1	168.1	165.4	156	0	114.6	E527 L528	E527-K531 HydrophobicContact CG-CD 4.35Å; E527-K531 WeakPolarHBondContact O-CB 3.25Å; E527-K531 WeakPolarHBondContact O-CG 3.42Å; E527-K531 PolarHBondContact O-N 3.36Å; E527-K531 WeakPolarHBondContact OE1-CE 3.3Å; E527-K531 IonicContact OE1-NZ 2.74Å; E527-K531 PolarHBondContact OE1-NZ 2.88Å; L528-K531 PolarHBondContact O-N 2.98Å
532	R	97.2	Very high	97.9	Very high	143 Å²	143	50 Å²	50	54%	0.54	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.3	172.1	-69.5	-75.5	174.3	153	-7.7	113.6	D502 L528 G529 H530 H534	D502-R532 WeakPolarHBondContact OD2-CD 3.14Å; D502-R532 IonicContact OD2-CZ 2.67Å; D502-R532 IonicContact OD2-NE 3.19Å; D502-R532 IonicContact OD2-NH1 2.71Å; D502-R532 PolarHBondContact OD2-NH1 2.84Å; L528-R532 HydrophobicContact CD1-CG 4.43Å; L528-R532 VanDerWaalsContact O-CG 3.24Å; L528-R532 WeakPolarHBondContact O-CG 3.36Å; L528-R532 PolarHBondContact O-N 3.26Å; G529-R532 PolarHBondContact O-N 3.27Å; H530-R532 PolarHBondContact O-N 3.47Å; R532-H534 VanDerWaalsContact CB-CD2 3.43Å; R532-H534 WeakPolarHBondContact CB-CD2 3.37Å
533	G	97.3	Very high	97.8	Very high	66 Å²	66	53 Å²	53	68%	0.68	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	5.9	-177.6	0	0	0	0	0	114.8	G529 H530	G529-G533 PolarHBondContact O-N 2.85Å; H530-G533 PolarHBondContact O-N 2.98Å
534	H	97.3	Very high	97.8	Very high	44 Å²	44	55.8 Å²	55.8	20%	0.204	28%	0.276	C	S	.	.	S	Bend	trans	-76.4	-25.8	-178.6	-62.5	-53.9	0	0	0	113.8	D502 G504 Y507 G529 R532	D502-H534 PolarHBondContact O-CE1 2.79Å; D502-H534 PolarHBondContact O-NE2 3.07Å; D502-H534 IonicContact OD1-CD2 2.83Å; D502-H534 IonicContact OD1-CE1 3.97Å; D502-H534 IonicContact OD1-NE2 3.51Å; D502-H534 PolarHBondContact OD1-NE2 3.09Å; G504-H534 PolarHBondContact N-ND1 3.36Å; Y507-H534 AromaticContact CD2-CD2 3.47Å; Y507-H534 VanDerWaalsContact CD2-CD2 3.47Å; Y507-H534 WeakPolarHBondContact CD2-CD2 3.4Å; Y507-H534 AromaticContact CD2-NE2 3.93Å; Y507-H534 AromaticContact CE2-CD2 3.42Å; Y507-H534 VanDerWaalsContact CE2-CD2 3.42Å; Y507-H534 WeakPolarHBondContact CE2-CD2 3.49Å; Y507-H534 AromaticContact CE2-NE2 3.52Å; G529-H534 WeakPolarHBondContact O-CB 3.41Å; G529-H534 PolarHBondContact O-N 2.92Å; R532-H534 VanDerWaalsContact CB-CD2 3.43Å; R532-H534 WeakPolarHBondContact CB-CD2 3.37Å
535	F	98.4	Very high	97.8	Very high	7 Å²	7	51.9 Å²	51.9	3%	0.031	26%	0.261	C	S	.	.	S	Bend	trans	-127.9	142.8	-178.9	-51.5	-48.5	0	0	0	111	F508 Y526 H530 S537 R541 L543	F508-F535 HydrophobicContact CB-CE1 4.08Å; F508-F535 HydrophobicContact CB-CZ 3.96Å; Y526-F535 HydrophobicContact CD1-CE2 4.1Å; H530-F535 HydrophobicContact CB-CB 4.39Å; H530-F535 PolarHBondContact ND1-O 3.2Å; F535-S537 VanDerWaalsContact C-N 3.27Å; F535-S537 WeakPolarHBondContact CB-O 3.16Å; F535-S537 PolarHBondContact O-N 3.47Å; F535-R541 HydrophobicContact CB-CG 4.36Å; F535-R541 HydrophobicContact CD1-CB 3.75Å; F535-R541 HydrophobicContact CD1-CG 4.23Å; F535-R541 HydrophobicContact CD2-CG 4.32Å; F535-R541 HydrophobicContact CE1-CB 4.06Å; F535-R541 HydrophobicContact CG-CB 4.1Å; F535-R541 HydrophobicContact CG-CG 4.06Å; F535-L543 HydrophobicContact CD1-CD2 4.33Å; F535-L543 HydrophobicContact CE1-CD2 3.96Å
536	A	97.8	Very high	97.8	Very high	55 Å²	55	52 Å²	52	46%	0.455	26%	0.264	S	S	.	.	S	Bend	trans	-64.7	-33.7	176	0	0	0	0	0	111.8	H530 Q540	H530-A536 PolarHBondContact CE1-O 2.94Å; H530-A536 VanDerWaalsContact CE1-O 3.23Å; H530-A536 PolarHBondContact ND1-O 3.34Å; A536-Q540 HydrophobicContact CB-CB 4.32Å; A536-Q540 HydrophobicContact CB-CG 4.43Å; A536-Q540 PolarHBondContact N-O 3.18Å
537	S	98.1	Very high	97.7	Very high	30 Å²	30	59.3 Å²	59.3	21%	0.21	30%	0.303	C	S	.	.	S	Bend	trans	-156.4	177.4	167	65.7	0	0	0	0	111	F535 W539 Q540	F535-S537 VanDerWaalsContact C-N 3.27Å; F535-S537 WeakPolarHBondContact CB-O 3.16Å; F535-S537 PolarHBondContact O-N 3.47Å; S537-W539 PolarHBondContact O-N 2.89Å; S537-W539 PolarHBondContact OG-N 3.18Å; S537-Q540 PolarHBondContact N-O 3.06Å; S537-Q540 PolarHBondContact O-N 2.95Å; S537-Q540 WeakPolarHBondContact OG-CB 3.33Å; S537-Q540 PolarHBondContact OG-N 3.19Å
538	V	97.8	Very high	97.6	Very high	27 Å²	27	60 Å²	60	16%	0.164	33%	0.329	C	S	.	.	S	Bend	trans	-55.4	-30.5	170	178.9	0	0	0	0	112.4	Y523 E527 R541	Y523-V538 HydrophobicContact CD1-CG1 3.85Å; E527-V538 HydrophobicContact CB-CG2 4.22Å; E527-V538 WeakPolarHBondContact OE2-CG2 3.26Å; V538-R541 WeakPolarHBondContact O-CD 3.23Å; V538-R541 PolarHBondContact O-NH1 2.87Å
539	W	97.9	Very high	97.6	Very high	92 Å²	92	58 Å²	58	35%	0.348	32%	0.318	S	S	.	.	S	Bend	trans	-93.5	-36.6	-178.5	-58.9	111.1	0	0	0	113.2	Y523 S537 A684 F702 E703	Y523-W539 HydrophobicContact CE1-CE3 4.41Å; Y523-W539 HydrophobicContact CE1-CH2 4.03Å; Y523-W539 AromaticContact CE1-CZ3 3.76Å; Y523-W539 HydrophobicContact CE1-CZ3 3.76Å; S537-W539 PolarHBondContact O-N 2.89Å; S537-W539 PolarHBondContact OG-N 3.18Å; W539-A684 HydrophobicContact CB-CB 4.36Å; W539-A684 HydrophobicContact CD2-CB 4.3Å; W539-A684 HydrophobicContact CE3-CB 4.46Å; W539-A684 HydrophobicContact CG-CB 4.26Å; W539-F702 HydrophobicContact CB-CD1 3.81Å; W539-F702 HydrophobicContact CB-CE1 4.29Å; W539-F702 CarbonylContact O-C 3.56Å; W539-F702 WeakPolarHBondContact O-CA 3.43Å; W539-E703 HydrophobicContact CE3-CB 4.24Å; W539-E703 PolarHBondContact O-N 3.18Å
540	Q	98.4	Very high	97.7	Very high	7 Å²	7	61.5 Å²	61.5	3%	0.033	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-100.6	97.9	-176.7	-163.7	-175.4	31.3	0	0	110.3	A536 S537 A551 D699 S701 F702	A536-Q540 HydrophobicContact CB-CB 4.32Å; A536-Q540 HydrophobicContact CB-CG 4.43Å; A536-Q540 PolarHBondContact N-O 3.18Å; S537-Q540 PolarHBondContact N-O 3.06Å; S537-Q540 PolarHBondContact O-N 2.95Å; S537-Q540 WeakPolarHBondContact OG-CB 3.33Å; S537-Q540 PolarHBondContact OG-N 3.19Å; Q540-A551 VanDerWaalsContact OE1-CB 3.31Å; Q540-D699 PolarHBondContact NE2-OD2 3.26Å; Q540-S701 WeakPolarHBondContact CA-O 3.24Å; Q540-S701 VanDerWaalsContact CG-OG 3.3Å; Q540-S701 WeakPolarHBondContact CG-OG 3.46Å; Q540-S701 PolarHBondContact NE2-OG 2.98Å; Q540-F702 HydrophobicContact CB-CD1 4.21Å; Q540-F702 HydrophobicContact CB-CD2 4.17Å; Q540-F702 HydrophobicContact CB-CE1 4.13Å; Q540-F702 HydrophobicContact CB-CE2 4.09Å; Q540-F702 HydrophobicContact CB-CG 4.23Å; Q540-F702 HydrophobicContact CB-CZ 4.07Å; Q540-F702 HydrophobicContact CG-CD2 3.89Å; Q540-F702 HydrophobicContact CG-CE2 3.85Å; Q540-F702 HydrophobicContact CG-CG 4.38Å; Q540-F702 HydrophobicContact CG-CZ 4.31Å
541	R	98.3	Very high	97.7	Very high	1 Å²	1	60.5 Å²	60.5	0%	0.004	34%	0.337	C	S	.	.			trans	-121	14.2	-164.6	-52.7	-174.2	-63.6	-103.4	9.7	114.5	F508 Y526 F535 V538 T659 S701 E703	F508-R541 HydrophobicContact CD2-CB 4.26Å; Y526-R541 VanDerWaalsContact CG-CD 3.49Å; Y526-R541 VanDerWaalsContact CZ-CZ 3.4Å; Y526-R541 PolarHBondContact OH-NH2 2.64Å; F535-R541 HydrophobicContact CB-CG 4.36Å; F535-R541 HydrophobicContact CD1-CB 3.75Å; F535-R541 HydrophobicContact CD1-CG 4.23Å; F535-R541 HydrophobicContact CD2-CG 4.32Å; F535-R541 HydrophobicContact CE1-CB 4.06Å; F535-R541 HydrophobicContact CG-CB 4.1Å; F535-R541 HydrophobicContact CG-CG 4.06Å; V538-R541 WeakPolarHBondContact O-CD 3.23Å; V538-R541 PolarHBondContact O-NH1 2.87Å; R541-T659 HydrophobicContact CB-CG2 4.05Å; R541-S701 PolarHBondContact N-O 2.59Å; R541-E703 IonicContact CZ-OE2 2.79Å; R541-E703 VanDerWaalsContact CZ-OE2 3.24Å; R541-E703 IonicContact NH1-OE2 2.69Å; R541-E703 PolarHBondContact NH1-OE2 3.09Å; R541-E703 IonicContact NH2-OE2 3.77Å; R541-E703 PolarHBondContact NH2-OE2 3.17Å
542	S	97.7	Very high	97.7	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.007	32%	0.316	C	S	.	.			trans	-55.1	148.6	166.1	53	0	0	0	0	111.7	N545 G660 S701	S542-N545 VanDerWaalsContact CB-OD1 3.25Å; S542-N545 WeakPolarHBondContact CB-OD1 3.47Å; S542-N545 PolarHBondContact O-ND2 2.85Å; S542-N545 PolarHBondContact OG-ND2 3.31Å; S542-N545 PolarHBondContact OG-OD1 3.38Å; S542-G660 VanDerWaalsContact CB-O 3.32Å; S542-G660 WeakPolarHBondContact CB-O 3.49Å; S542-S701 WeakPolarHBondContact OG-CB 3.42Å
543	L	95.8	Very high	97.8	Very high	63 Å²	63	49.7 Å²	49.7	33%	0.33	30%	0.297	S	S	.	.	S	Bend	trans	-105.6	-27.7	-175.7	-63.8	175.9	0	0	0	113.4	R505 F535 N545 P661	R505-L543 HydrophobicContact CB-CD1 4.43Å; R505-L543 HydrophobicContact CG-CD1 3.63Å; F535-L543 HydrophobicContact CD1-CD2 4.33Å; F535-L543 HydrophobicContact CE1-CD2 3.96Å; L543-N545 PolarHBondContact O-N 2.9Å; L543-P661 PolarHBondContact N-O 3.23Å; L543-P661 VanDerWaalsContact N-O 3.15Å
544	Y	96.3	Very high	97.8	Very high	136 Å²	136	47.1 Å²	47.1	53%	0.533	27%	0.267	S	S	.	.	S	Bend	trans	-98.8	63.6	-173.7	-60.4	-79.8	0	0	0	111.9	R641 P661 T662 I737	Y544-R641 PolarHBondContact O-NH1 3.14Å; Y544-P661 HydrophobicContact CD2-CB 4.06Å; Y544-P661 WeakPolarHBondContact CD2-O 3.44Å; Y544-P661 PolarHBondContact N-O 2.71Å; Y544-T662 WeakPolarHBondContact O-CB 3.44Å; Y544-T662 PolarHBondContact O-OG1 3.03Å; Y544-I737 VanDerWaalsContact CB-CD1 3.4Å; Y544-I737 HydrophobicContact CD2-CD1 4.05Å; Y544-I737 HydrophobicContact CG-CD1 3.79Å
545	N	97.6	Very high	97.9	Very high	45 Å²	45	45.4 Å²	45.4	24%	0.241	26%	0.259	C	S	.	.			trans	-95.1	165.5	-165.3	-60.4	-28.9	0	0	0	115	S542 L543 N663	S542-N545 VanDerWaalsContact CB-OD1 3.25Å; S542-N545 WeakPolarHBondContact CB-OD1 3.47Å; S542-N545 PolarHBondContact O-ND2 2.85Å; S542-N545 PolarHBondContact OG-ND2 3.31Å; S542-N545 PolarHBondContact OG-OD1 3.38Å; L543-N545 PolarHBondContact O-N 2.9Å; N545-N663 WeakPolarHBondContact CA-OD1 3.33Å; N545-N663 WeakPolarHBondContact CB-OD1 3.5Å; N545-N663 PolarHBondContact OD1-N 3.24Å
546	V	98.2	Very high	97.9	Very high	23 Å²	23	48.2 Å²	48.2	14%	0.139	28%	0.277	C	S	.	.			trans	-113.5	128.2	155.7	169	0	0	0	0	107.4	L549 N663 L726 L734	V546-L549 HydrophobicContact CB-CD1 3.94Å; V546-L549 HydrophobicContact CB-CG 4.2Å; V546-L549 HydrophobicContact CG1-CD1 4.31Å; V546-L549 HydrophobicContact CG1-CD2 4.29Å; V546-L549 HydrophobicContact CG1-CG 4.08Å; V546-N663 PolarHBondContact N-OD1 3.11Å; V546-N663 PolarHBondContact O-ND2 2.92Å; V546-L726 HydrophobicContact CB-CD2 4.16Å; V546-L726 HydrophobicContact CG1-CD2 4.1Å; V546-L726 HydrophobicContact CG2-CD2 4.04Å; V546-L734 HydrophobicContact CG2-CD1 4.13Å; V546-L734 HydrophobicContact CG2-CD2 3.88Å
547	N	97	Very high	97.9	Very high	154 Å²	154	47.7 Å²	47.7	82%	0.824	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	149.8	-177.8	-64.6	-8.2	0	0	0	110.9	L549	N547-L549 VanDerWaalsContact C-N 3.33Å; N547-L549 PolarHBondContact O-N 2.87Å
548	G	96.8	Very high	97.9	Very high	82 Å²	82	56.8 Å²	56.8	85%	0.845	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-2.5	177	0	0	0	0	0	115.8
549	L	98.4	Very high	98	Very high	20 Å²	20	59 Å²	59	11%	0.105	31%	0.307	C	S	.	.			trans	-67.6	135.4	169.1	-60.2	-178	0	0	0	110.4	V546 N547 A551 H723 E725 L726	V546-L549 HydrophobicContact CB-CD1 3.94Å; V546-L549 HydrophobicContact CB-CG 4.2Å; V546-L549 HydrophobicContact CG1-CD1 4.31Å; V546-L549 HydrophobicContact CG1-CD2 4.29Å; V546-L549 HydrophobicContact CG1-CG 4.08Å; N547-L549 VanDerWaalsContact C-N 3.33Å; N547-L549 PolarHBondContact O-N 2.87Å; L549-A551 PolarHBondContact O-N 3.27Å; L549-H723 HydrophobicContact CD1-CB 4.11Å; L549-E725 WeakPolarHBondContact CA-OE2 3.44Å; L549-E725 HydrophobicContact CD2-CB 3.96Å; L549-L726 HydrophobicContact CD1-CD2 4.08Å; L549-L726 HydrophobicContact CD1-CG 4.17Å; L549-L726 HydrophobicContact CD2-CD2 4.06Å; L549-L726 HydrophobicContact CD2-CG 4.15Å
550	K	98.6	Very high	98	Very high	72 Å²	72	54.8 Å²	54.8	31%	0.313	29%	0.291	S	S	.	.			trans	-54.1	120.4	173.9	177.7	-177.2	-179.9	-129.9	0	110.3	W555 E559 H723 E725	K550-W555 HydrophobicContact CB-CH2 4.1Å; K550-W555 HydrophobicContact CD-CH2 3.75Å; K550-W555 HydrophobicContact CD-CZ2 4.49Å; K550-W555 HydrophobicContact CD-CZ3 4.16Å; K550-W555 HydrophobicContact CG-CH2 3.96Å; K550-W555 HydrophobicContact CG-CZ2 4.33Å; K550-W555 WeakPolarHBondContact O-CZ2 3.33Å; K550-E559 IonicContact NZ-OE1 3.31Å; K550-E559 PolarHBondContact NZ-OE1 3.4Å; K550-H723 PolarHBondContact N-CE1 3.06Å; K550-H723 PolarHBondContact O-NE2 3.42Å; K550-E725 VanDerWaalsContact CB-OE1 3.23Å; K550-E725 WeakPolarHBondContact CB-OE1 3.23Å; K550-E725 WeakPolarHBondContact CB-OE2 3.42Å; K550-E725 PolarHBondContact N-OE2 3.2Å
551	A	98.4	Very high	97.9	Very high	51 Å²	51	57.1 Å²	57.1	42%	0.421	32%	0.317	S	S	.	.			trans	-111.1	115.4	-176.8	0	0	0	0	0	111	Q540 L549 F702	Q540-A551 VanDerWaalsContact OE1-CB 3.31Å; L549-A551 PolarHBondContact O-N 3.27Å; A551-F702 HydrophobicContact CB-CE2 4.08Å; A551-F702 HydrophobicContact CB-CZ 3.96Å
552	Q	98.5	Very high	97.9	Very high	45 Å²	45	58.2 Å²	58.2	21%	0.21	32%	0.321	C	S	.	.			trans	-152	147.2	170.8	65.8	-175.7	52.4	0	0	109.6	W554 W555 E559 D699	Q552-W554 WeakPolarHBondContact CG-O 3.44Å; Q552-W554 PolarHBondContact NE2-O 3.25Å; Q552-W555 HydrophobicContact CG-CD2 4.1Å; Q552-W555 HydrophobicContact CG-CG 4.33Å; Q552-W555 HydrophobicContact CG-CZ2 3.99Å; Q552-W555 PolarHBondContact O-NE1 3.19Å; Q552-E559 PolarHBondContact NE2-OE1 2.91Å; Q552-E559 PolarHBondContact OE1-OE1 3.22Å; Q552-D699 WeakPolarHBondContact O-CB 3.35Å
553	P	98.4	Very high	98	Very high	23 Å²	23	60 Å²	60	15%	0.149	33%	0.332	C	S	.	.	S	Bend	trans	-67.6	-42.2	-172.8	25	-33.8	0	0	0	112.9	C683 A684 F698 D699 F702	P553-C683 HydrophobicContact CB-CB 4.3Å; P553-C683 VanDerWaalsContact CB-SG 3.57Å; P553-A684 HydrophobicContact CB-CB 3.94Å; P553-A684 HydrophobicContact CG-CB 4.2Å; P553-F698 CarbonylContact O-C 3.6Å; P553-F698 WeakPolarHBondContact O-CA 3.4Å; P553-F698 WeakPolarHBondContact O-CB 3.08Å; P553-D699 PolarHBondContact O-N 3.06Å; P553-F702 HydrophobicContact CB-CB 4.49Å; P553-F702 HydrophobicContact CB-CD1 4.19Å; P553-F702 HydrophobicContact CB-CG 4.26Å
554	W	98.7	Very high	98.1	Very high	11 Å²	11	61.6 Å²	61.6	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	145	-177	-66.6	102.1	0	0	0	111.9	Q552 I681 C683 E686 R688 L696 F698	Q552-W554 WeakPolarHBondContact CG-O 3.44Å; Q552-W554 PolarHBondContact NE2-O 3.25Å; W554-I681 HydrophobicContact CH2-CG1 4.38Å; W554-I681 HydrophobicContact CH2-CG2 3.93Å; W554-C683 HydrophobicContact CD2-CB 4.45Å; W554-C683 HydrophobicContact CH2-CB 4.37Å; W554-C683 HydrophobicContact CZ2-CB 3.62Å; W554-E686 VanDerWaalsContact CD1-CD 3.5Å; W554-R688 HydrophobicContact CD2-CG 4.42Å; W554-R688 VanDerWaalsContact CG-CZ 3.4Å; W554-R688 HydrophobicContact CH2-CB 3.97Å; W554-R688 HydrophobicContact CH2-CG 4.16Å; W554-R688 HydrophobicContact CZ2-CB 4.02Å; W554-R688 HydrophobicContact CZ2-CG 3.82Å; W554-L696 HydrophobicContact CH2-CD1 4.47Å; W554-L696 HydrophobicContact CZ3-CB 4.22Å; W554-L696 HydrophobicContact CZ3-CD1 4.25Å; W554-F698 HydrophobicContact CD2-CB 4.28Å; W554-F698 HydrophobicContact CE3-CB 3.75Å; W554-F698 HydrophobicContact CH2-CB 4.47Å; W554-F698 HydrophobicContact CZ3-CB 3.85Å; W554-F698 HydrophobicContact CZ3-CD1 4.39Å; W554-F698 HydrophobicContact CZ3-CG 4.36Å
555	W	98.8	Very high	98.2	Very high	9 Å²	9	55.1 Å²	55.1	3%	0.034	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.8	-177	-69.8	72.6	0	0	0	111.6	K550 Q552 E559 T560 L666 I697 H723 P724	K550-W555 HydrophobicContact CB-CH2 4.1Å; K550-W555 HydrophobicContact CD-CH2 3.75Å; K550-W555 HydrophobicContact CD-CZ2 4.49Å; K550-W555 HydrophobicContact CD-CZ3 4.16Å; K550-W555 HydrophobicContact CG-CH2 3.96Å; K550-W555 HydrophobicContact CG-CZ2 4.33Å; K550-W555 WeakPolarHBondContact O-CZ2 3.33Å; Q552-W555 HydrophobicContact CG-CD2 4.1Å; Q552-W555 HydrophobicContact CG-CG 4.33Å; Q552-W555 HydrophobicContact CG-CZ2 3.99Å; Q552-W555 PolarHBondContact O-NE1 3.19Å; W555-E559 HydrophobicContact CE3-CB 3.74Å; W555-E559 HydrophobicContact CZ3-CB 4.17Å; W555-T560 HydrophobicContact CB-CG2 3.96Å; W555-T560 HydrophobicContact CD2-CG2 4.32Å; W555-T560 HydrophobicContact CE3-CG2 3.87Å; W555-T560 HydrophobicContact CG-CG2 4.41Å; W555-L666 HydrophobicContact CD2-CD1 3.64Å; W555-L666 HydrophobicContact CD2-CD2 4.3Å; W555-L666 HydrophobicContact CE3-CD1 3.87Å; W555-L666 HydrophobicContact CG-CD1 4.04Å; W555-L666 HydrophobicContact CG-CD2 4.43Å; W555-L666 HydrophobicContact CH2-CD1 4.3Å; W555-L666 HydrophobicContact CZ2-CD1 4.12Å; W555-L666 HydrophobicContact CZ2-CD2 4.07Å; W555-L666 HydrophobicContact CZ3-CD1 4.19Å; W555-I697 HydrophobicContact CB-CB 4.06Å; W555-I697 HydrophobicContact CB-CG2 3.99Å; W555-I697 PolarHBondContact N-O 2.87Å; W555-H723 AromaticContact CH2-NE2 3.37Å; W555-H723 WeakPolarHBondContact CH2-NE2 3.2Å; W555-H723 AromaticContact CZ2-NE2 3.14Å; W555-H723 WeakPolarHBondContact CZ2-NE2 3.17Å; W555-P724 HydrophobicContact CH2-CG 4.29Å; W555-P724 HydrophobicContact CZ3-CG 4.06Å
556	T	98.6	Very high	98.3	Very high	66 Å²	66	53.3 Å²	53.3	41%	0.405	30%	0.303	S	S	.	.			trans	-90.4	154.1	166.8	66.8	0	0	0	0	111.3	R558 E559 T560	T556-R558 PolarHBondContact O-N 3.21Å; T556-E559 WeakPolarHBondContact CB-OE2 3.46Å; T556-E559 WeakPolarHBondContact CG2-OE2 3.48Å; T556-E559 PolarHBondContact N-OE2 3.49Å; T556-E559 PolarHBondContact O-N 3.09Å; T556-E559 VanDerWaalsContact O-N 3.1Å; T556-E559 WeakPolarHBondContact OG1-CG 3.37Å; T556-E559 PolarHBondContact OG1-N 3.38Å; T556-E559 PolarHBondContact OG1-OE2 3.48Å; T556-T560 PolarHBondContact O-N 3.47Å
557	P	98.3	Very high	98.3	Very high	44 Å²	44	55.8 Å²	55.8	29%	0.286	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-20.6	175.3	-28.8	36.6	0	0	0	115.2	T560 T563 V566 I697	P557-T560 PolarHBondContact O-OG1 3.49Å; P557-T563 WeakPolarHBondContact O-CG2 3.39Å; P557-V566 HydrophobicContact CB-CB 4.16Å; P557-V566 HydrophobicContact CB-CG1 4.03Å; P557-V566 HydrophobicContact CB-CG2 4.02Å; P557-V566 HydrophobicContact CG-CB 4.43Å; P557-V566 HydrophobicContact CG-CG1 3.82Å; P557-V566 HydrophobicContact CG-CG2 4.27Å; P557-I697 HydrophobicContact CB-CD1 4.42Å; P557-I697 HydrophobicContact CG-CD1 4.09Å
558	R	98.1	Very high	98.4	Very high	221 Å²	221	49.2 Å²	49.2	83%	0.834	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-39.4	177.4	-79.3	-174.4	-83.6	-139.7	-2.4	112.2	T556 T560 G561 T563	T556-R558 PolarHBondContact O-N 3.21Å; R558-T560 VanDerWaalsContact C-N 3.29Å; R558-T560 PolarHBondContact O-N 2.87Å; R558-G561 PolarHBondContact O-N 2.95Å; R558-T563 HydrophobicContact CG-CG2 4.33Å
559	E	98.3	Very high	98.4	Very high	74 Å²	74	45.4 Å²	45.4	35%	0.346	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-27.4	178	-68.4	165.6	93.5	0	0	113	K550 Q552 W555 T556 G561	K550-E559 IonicContact NZ-OE1 3.31Å; K550-E559 PolarHBondContact NZ-OE1 3.4Å; Q552-E559 PolarHBondContact NE2-OE1 2.91Å; Q552-E559 PolarHBondContact OE1-OE1 3.22Å; W555-E559 HydrophobicContact CE3-CB 3.74Å; W555-E559 HydrophobicContact CZ3-CB 4.17Å; T556-E559 WeakPolarHBondContact CB-OE2 3.46Å; T556-E559 WeakPolarHBondContact CG2-OE2 3.48Å; T556-E559 PolarHBondContact N-OE2 3.49Å; T556-E559 PolarHBondContact O-N 3.09Å; T556-E559 VanDerWaalsContact O-N 3.1Å; T556-E559 WeakPolarHBondContact OG1-CG 3.37Å; T556-E559 PolarHBondContact OG1-N 3.38Å; T556-E559 PolarHBondContact OG1-OE2 3.48Å; E559-G561 VanDerWaalsContact C-N 3.33Å
560	T	97.9	Very high	98.5	Very high	3 Å²	3	47 Å²	47	2%	0.018	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-11.4	176.1	66	0	0	0	0	113.6	W555 T556 P557 R558 Y562 L666 I697	W555-T560 HydrophobicContact CB-CG2 3.96Å; W555-T560 HydrophobicContact CD2-CG2 4.32Å; W555-T560 HydrophobicContact CE3-CG2 3.87Å; W555-T560 HydrophobicContact CG-CG2 4.41Å; T556-T560 PolarHBondContact O-N 3.47Å; P557-T560 PolarHBondContact O-OG1 3.49Å; R558-T560 VanDerWaalsContact C-N 3.29Å; R558-T560 PolarHBondContact O-N 2.87Å; T560-Y562 WeakPolarHBondContact O-CD2 3.38Å; T560-Y562 PolarHBondContact O-N 3.44Å; T560-L666 HydrophobicContact CG2-CD1 3.67Å; T560-I697 HydrophobicContact CG2-CD1 4.05Å; T560-I697 HydrophobicContact CG2-CG2 4.19Å
561	G	98	Very high	98.5	Very high	55 Å²	55	51.8 Å²	51.8	57%	0.567	26%	0.261	S	S	*	.	S	Bend	trans	70	-26.4	-171.9	0	0	0	0	0	115.1	R558 E559 T563	R558-G561 PolarHBondContact O-N 2.95Å; E559-G561 VanDerWaalsContact C-N 3.33Å; G561-T563 PolarHBondContact O-N 3.06Å
562	Y	98.2	Very high	98.5	Very high	24 Å²	24	51.9 Å²	51.9	9%	0.094	26%	0.255	C	S	.	.			trans	-71.4	39	-176.1	-55.5	-55.6	0	0	0	114.6	T560 E564 L565 V566 E635 M668 V721 W722 P724 R731	T560-Y562 WeakPolarHBondContact O-CD2 3.38Å; T560-Y562 PolarHBondContact O-N 3.44Å; Y562-E564 VanDerWaalsContact C-N 3.3Å; Y562-E564 PolarHBondContact O-N 2.67Å; Y562-L565 PolarHBondContact O-N 3.2Å; Y562-V566 PolarHBondContact O-N 2.97Å; Y562-V566 VanDerWaalsContact O-N 3.13Å; Y562-E635 HydrophobicContact CD1-CB 3.87Å; Y562-E635 HydrophobicContact CD1-CG 3.61Å; Y562-E635 HydrophobicContact CE1-CB 3.36Å; Y562-E635 HydrophobicContact CE1-CG 3.69Å; Y562-E635 HydrophobicContact CG-CG 4.29Å; Y562-M668 HydrophobicContact CD2-CE 4.21Å; Y562-M668 HydrophobicContact CG-CE 4.47Å; Y562-V721 HydrophobicContact CD2-CB 4.1Å; Y562-V721 HydrophobicContact CD2-CG1 4.19Å; Y562-V721 HydrophobicContact CD2-CG2 3.84Å; Y562-V721 HydrophobicContact CE2-CB 3.9Å; Y562-V721 HydrophobicContact CE2-CG1 4.41Å; Y562-V721 HydrophobicContact CE2-CG2 3.8Å; Y562-W722 WeakPolarHBondContact CE2-O 3.48Å; Y562-W722 PolarHBondContact OH-O 3.01Å; Y562-P724 HydrophobicContact CE2-CB 4.36Å; Y562-R731 PolarHBondContact OH-NH1 3.37Å
563	T	98.3	Very high	98.5	Very high	39 Å²	39	51.8 Å²	51.8	24%	0.239	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-32.3	-174.7	70.4	0	0	0	0	113	P557 R558 G561 K567	P557-T563 WeakPolarHBondContact O-CG2 3.39Å; R558-T563 HydrophobicContact CG-CG2 4.33Å; G561-T563 PolarHBondContact O-N 3.06Å; T563-K567 WeakPolarHBondContact O-CB 3.44Å; T563-K567 WeakPolarHBondContact O-CD 3.28Å; T563-K567 WeakPolarHBondContact O-CG 3.2Å; T563-K567 PolarHBondContact O-N 3.07Å; T563-K567 PolarHBondContact OG1-NZ 3.09Å
564	E	98.5	Very high	98.5	Very high	96 Å²	96	56.3 Å²	56.3	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-75.2	-33.4	178.1	-68.2	-52.3	139.6	0	0	113.2	Y562 K567 S568 R571	Y562-E564 VanDerWaalsContact C-N 3.3Å; Y562-E564 PolarHBondContact O-N 2.67Å; E564-K567 VanDerWaalsContact CD-CD 3.47Å; E564-K567 PolarHBondContact O-N 2.87Å; E564-K567 WeakPolarHBondContact OE1-CD 3.41Å; E564-K567 WeakPolarHBondContact OE1-CE 3.3Å; E564-K567 IonicContact OE1-NZ 2.71Å; E564-K567 PolarHBondContact OE1-NZ 3.17Å; E564-K567 WeakPolarHBondContact OE2-CD 3.49Å; E564-S568 WeakPolarHBondContact O-CB 3.1Å; E564-S568 PolarHBondContact O-N 2.99Å; E564-R571 IonicContact OE2-NH1 2.77Å
565	L	98.6	Very high	98.5	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-60.6	-49.4	168.4	173	57.8	0	0	0	110.1	Y562 K567 S568 L569 F633 E635 T636 M668 V719 V721	Y562-L565 PolarHBondContact O-N 3.2Å; L565-K567 PolarHBondContact O-N 3.37Å; L565-S568 WeakPolarHBondContact O-CB 3.3Å; L565-S568 PolarHBondContact O-N 3.25Å; L565-S568 VanDerWaalsContact O-N 3.14Å; L565-L569 HydrophobicContact CD1-CD1 4Å; L565-L569 HydrophobicContact CD1-CG 4.1Å; L565-L569 HydrophobicContact CG-CD1 4.13Å; L565-L569 WeakPolarHBondContact O-CG 3.44Å; L565-L569 PolarHBondContact O-N 3.39Å; L565-F633 HydrophobicContact CB-CD1 3.78Å; L565-F633 HydrophobicContact CB-CE1 4.05Å; L565-F633 HydrophobicContact CB-CG 4.3Å; L565-F633 HydrophobicContact CD1-CB 4.04Å; L565-F633 HydrophobicContact CD1-CD1 4.1Å; L565-F633 HydrophobicContact CD1-CD2 3.91Å; L565-F633 HydrophobicContact CD1-CE2 4.4Å; L565-F633 HydrophobicContact CD1-CG 3.74Å; L565-F633 HydrophobicContact CG-CD1 4.47Å; L565-E635 HydrophobicContact CD2-CG 4.07Å; L565-T636 HydrophobicContact CD1-CG2 4.36Å; L565-T636 HydrophobicContact CD2-CG2 4.04Å; L565-M668 HydrophobicContact CD2-CE 4.02Å; L565-M668 HydrophobicContact CD2-SD 4.1Å; L565-M668 HydrophobicContact CG-SD 4.33Å; L565-V719 HydrophobicContact CD2-CG1 4.37Å; L565-V721 HydrophobicContact CD2-CG1 3.52Å
566	V	98.8	Very high	98.5	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.036	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-46.7	177.7	175.2	0	0	0	0	111.7	P557 Y562 S568 L569 E570 M668 V695 I697	P557-V566 HydrophobicContact CB-CB 4.16Å; P557-V566 HydrophobicContact CB-CG1 4.03Å; P557-V566 HydrophobicContact CB-CG2 4.02Å; P557-V566 HydrophobicContact CG-CB 4.43Å; P557-V566 HydrophobicContact CG-CG1 3.82Å; P557-V566 HydrophobicContact CG-CG2 4.27Å; Y562-V566 PolarHBondContact O-N 2.97Å; Y562-V566 VanDerWaalsContact O-N 3.13Å; V566-S568 VanDerWaalsContact C-N 3.27Å; V566-S568 PolarHBondContact O-N 2.69Å; V566-L569 PolarHBondContact O-N 2.96Å; V566-E570 HydrophobicContact CG1-CG 4.32Å; V566-E570 WeakPolarHBondContact O-CG 3.37Å; V566-E570 PolarHBondContact O-N 3.48Å; V566-M668 HydrophobicContact CG2-CE 3.97Å; V566-M668 HydrophobicContact CG2-SD 3.77Å; V566-V695 HydrophobicContact CG1-CB 4.02Å; V566-V695 HydrophobicContact CG1-CG2 4.1Å; V566-V695 HydrophobicContact CG2-CG1 4.4Å; V566-I697 HydrophobicContact CG2-CD1 4.11Å
567	K	98.6	Very high	98.5	Very high	76 Å²	76	57.7 Å²	57.7	33%	0.33	27%	0.272	S	S	.	.	H	α-helix	trans	-59.9	-37.6	174.7	-71.4	156	-174.2	156.9	0	111.6	T563 E564 L565 R571	T563-K567 WeakPolarHBondContact O-CB 3.44Å; T563-K567 WeakPolarHBondContact O-CD 3.28Å; T563-K567 WeakPolarHBondContact O-CG 3.2Å; T563-K567 PolarHBondContact O-N 3.07Å; T563-K567 PolarHBondContact OG1-NZ 3.09Å; E564-K567 VanDerWaalsContact CD-CD 3.47Å; E564-K567 PolarHBondContact O-N 2.87Å; E564-K567 WeakPolarHBondContact OE1-CD 3.41Å; E564-K567 WeakPolarHBondContact OE1-CE 3.3Å; E564-K567 IonicContact OE1-NZ 2.71Å; E564-K567 PolarHBondContact OE1-NZ 3.17Å; E564-K567 WeakPolarHBondContact OE2-CD 3.49Å; L565-K567 PolarHBondContact O-N 3.37Å; K567-R571 WeakPolarHBondContact O-CB 3.44Å; K567-R571 VanDerWaalsContact O-CD 3.26Å; K567-R571 WeakPolarHBondContact O-CD 3.43Å; K567-R571 WeakPolarHBondContact O-CG 3.38Å; K567-R571 PolarHBondContact O-N 2.67Å
568	S	98.7	Very high	98.5	Very high	15 Å²	15	58.8 Å²	58.8	11%	0.105	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-46.4	177.3	-171.4	0	0	0	0	111.4	E564 L565 V566 R571 N572 L629	E564-S568 WeakPolarHBondContact O-CB 3.1Å; E564-S568 PolarHBondContact O-N 2.99Å; L565-S568 WeakPolarHBondContact O-CB 3.3Å; L565-S568 PolarHBondContact O-N 3.25Å; L565-S568 VanDerWaalsContact O-N 3.14Å; V566-S568 VanDerWaalsContact C-N 3.27Å; V566-S568 PolarHBondContact O-N 2.69Å; S568-R571 PolarHBondContact O-N 3.41Å; S568-N572 WeakPolarHBondContact O-CB 3.43Å; S568-N572 PolarHBondContact O-N 2.99Å; S568-N572 PolarHBondContact O-ND2 2.89Å; S568-L629 WeakPolarHBondContact OG-CD1 3.45Å
569	L	98.8	Very high	98.4	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-50.9	175.2	-69.1	172.6	0	0	0	111.7	L565 V566 R571 N572 W573 I576 M668 L670 V695 F717 V719	L565-L569 HydrophobicContact CD1-CD1 4Å; L565-L569 HydrophobicContact CD1-CG 4.1Å; L565-L569 HydrophobicContact CG-CD1 4.13Å; L565-L569 WeakPolarHBondContact O-CG 3.44Å; L565-L569 PolarHBondContact O-N 3.39Å; V566-L569 PolarHBondContact O-N 2.96Å; L569-R571 VanDerWaalsContact C-N 3.34Å; L569-R571 PolarHBondContact O-N 3.06Å; L569-N572 PolarHBondContact O-N 2.86Å; L569-W573 WeakPolarHBondContact O-CA 3.33Å; L569-W573 PolarHBondContact O-N 2.87Å; L569-I576 HydrophobicContact CD2-CD1 3.8Å; L569-M668 HydrophobicContact CD1-SD 4.32Å; L569-L670 HydrophobicContact CB-CD1 4.49Å; L569-L670 HydrophobicContact CB-CD2 4.18Å; L569-L670 HydrophobicContact CD2-CD2 4.37Å; L569-V695 HydrophobicContact CB-CG2 4.12Å; L569-V695 HydrophobicContact CD1-CG2 4.42Å; L569-F717 HydrophobicContact CD2-CD1 4.31Å; L569-F717 HydrophobicContact CD2-CE1 4.41Å; L569-V719 HydrophobicContact CD1-CB 4.41Å; L569-V719 HydrophobicContact CD1-CG2 4.06Å; L569-V719 HydrophobicContact CD2-CG2 4.19Å
570	E	98.8	Very high	98.2	Very high	54 Å²	54	45.4 Å²	45.4	25%	0.252	22%	0.222	S	C	.	.	H	α-helix	trans	-68.2	-26.6	179.1	-66.3	-155.7	172.5	0	0	113.8	V566 W573 G693 K694 V695	V566-E570 HydrophobicContact CG1-CG 4.32Å; V566-E570 WeakPolarHBondContact O-CG 3.37Å; V566-E570 PolarHBondContact O-N 3.48Å; E570-W573 VanDerWaalsContact O-CD1 3.31Å; E570-G693 VanDerWaalsContact CG-O 3.31Å; E570-G693 WeakPolarHBondContact CG-O 3.29Å; E570-K694 WeakPolarHBondContact OE1-CA 3.05Å; E570-K694 WeakPolarHBondContact OE1-CD 3.41Å; E570-K694 IonicContact OE1-NZ 2.57Å; E570-K694 WeakPolarHBondContact OE2-CD 3.37Å; E570-K694 IonicContact OE2-NZ 3.97Å; E570-K694 PolarHBondContact OE2-NZ 3.28Å; E570-V695 HydrophobicContact CG-CG2 3.93Å; E570-V695 PolarHBondContact OE1-N 2.86Å; E570-V695 VanDerWaalsContact OE1-N 3.14Å
571	R	98.7	Very high	98.1	Very high	172 Å²	172	47.5 Å²	47.5	65%	0.649	23%	0.233	S	C	*	.	H	α-helix	trans	-75.9	-36.8	173.8	-75	165.5	-178.2	152.2	-2.2	112.1	E564 K567 S568 L569	E564-R571 IonicContact OE2-NH1 2.77Å; K567-R571 WeakPolarHBondContact O-CB 3.44Å; K567-R571 VanDerWaalsContact O-CD 3.26Å; K567-R571 WeakPolarHBondContact O-CD 3.43Å; K567-R571 WeakPolarHBondContact O-CG 3.38Å; K567-R571 PolarHBondContact O-N 2.67Å; S568-R571 PolarHBondContact O-N 3.41Å; L569-R571 VanDerWaalsContact C-N 3.34Å; L569-R571 PolarHBondContact O-N 3.06Å
572	N	98.8	Very high	97.8	Very high	53 Å²	53	50.5 Å²	50.5	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-103.3	8.8	-172.4	-63.4	-78	0	0	0	113.9	S568 L569 K574 L575 I576 L629	S568-N572 WeakPolarHBondContact O-CB 3.43Å; S568-N572 PolarHBondContact O-N 2.99Å; S568-N572 PolarHBondContact O-ND2 2.89Å; L569-N572 PolarHBondContact O-N 2.86Å; N572-K574 PolarHBondContact O-N 3.03Å; N572-L575 WeakPolarHBondContact O-CB 3.25Å; N572-L575 PolarHBondContact O-N 2.71Å; N572-I576 PolarHBondContact O-N 2.99Å; N572-I576 VanDerWaalsContact O-N 3.16Å; N572-L629 HydrophobicContact CB-CD2 3.62Å
573	W	98.8	Very high	97.3	Very high	44 Å²	44	49.6 Å²	49.6	17%	0.167	23%	0.23	C	C	.	.	H	α-helix	trans	-53.2	-36.3	-171.1	76.7	-90.8	0	0	0	115.2	L569 E570 I576 R577 L670 E692 G693	L569-W573 WeakPolarHBondContact O-CA 3.33Å; L569-W573 PolarHBondContact O-N 2.87Å; E570-W573 VanDerWaalsContact O-CD1 3.31Å; W573-I576 PolarHBondContact O-N 2.79Å; W573-R577 VanDerWaalsContact O-CB 3.28Å; W573-R577 WeakPolarHBondContact O-CB 3.36Å; W573-R577 PolarHBondContact O-N 3.21Å; W573-L670 HydrophobicContact CB-CD1 4.07Å; W573-L670 HydrophobicContact CB-CD2 4.09Å; W573-L670 HydrophobicContact CB-CG 4.44Å; W573-E692 HydrophobicContact CH2-CB 3.8Å; W573-E692 WeakPolarHBondContact CH2-OE2 3.21Å; W573-E692 HydrophobicContact CZ2-CB 4.5Å; W573-E692 HydrophobicContact CZ3-CB 3.86Å; W573-E692 HydrophobicContact CZ3-CG 4.41Å; W573-G693 VanDerWaalsContact CD2-CA 3.43Å
574	K	98.8	Very high	96.7	Very high	117 Å²	117	50.1 Å²	50.1	51%	0.509	23%	0.231	S	C	.	.	H	α-helix	trans	-65.8	-42.2	177.5	-63	-173.5	179.7	-179.5	0	111.7	N572 I576 R577 D578	N572-K574 PolarHBondContact O-N 3.03Å; K574-I576 VanDerWaalsContact C-N 3.35Å; K574-I576 PolarHBondContact O-N 2.96Å; K574-R577 PolarHBondContact O-N 2.97Å; K574-D578 VanDerWaalsContact O-CB 3.28Å; K574-D578 WeakPolarHBondContact O-CB 3.39Å; K574-D578 PolarHBondContact O-N 2.82Å
575	L	98.6	Very high	95.4	Very high	58 Å²	58	52.3 Å²	52.3	30%	0.304	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-45.5	175.4	169.3	63.3	0	0	0	111.1	N572 D578 E579 K625	N572-L575 WeakPolarHBondContact O-CB 3.25Å; N572-L575 PolarHBondContact O-N 2.71Å; L575-D578 PolarHBondContact O-N 3.22Å; L575-E579 PolarHBondContact O-N 3.36Å; L575-E579 VanDerWaalsContact O-N 3.13Å; L575-K625 HydrophobicContact CD1-CB 3.96Å; L575-K625 HydrophobicContact CD1-CD 3.59Å; L575-K625 HydrophobicContact CD1-CG 4.44Å; L575-K625 HydrophobicContact CD2-CB 4.07Å; L575-K625 HydrophobicContact CG-CB 4.32Å
576	I	98.7	Very high	93.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-48.7	177.6	-58.8	169.7	0	0	0	109.8	L569 N572 W573 K574 D578 G580 T626 L629 Y646 L670 L672 F717	L569-I576 HydrophobicContact CD2-CD1 3.8Å; N572-I576 PolarHBondContact O-N 2.99Å; N572-I576 VanDerWaalsContact O-N 3.16Å; W573-I576 PolarHBondContact O-N 2.79Å; K574-I576 VanDerWaalsContact C-N 3.35Å; K574-I576 PolarHBondContact O-N 2.96Å; I576-D578 PolarHBondContact O-N 2.89Å; I576-G580 PolarHBondContact O-N 2.8Å; I576-T626 HydrophobicContact CG1-CG2 4.23Å; I576-T626 HydrophobicContact CG2-CG2 4.08Å; I576-L629 HydrophobicContact CD1-CD2 4.17Å; I576-L629 HydrophobicContact CG1-CD2 4.49Å; I576-Y646 HydrophobicContact CG2-CE1 3.9Å; I576-Y646 VanDerWaalsContact O-CE1 3.3Å; I576-Y646 WeakPolarHBondContact O-CE1 3.23Å; I576-Y646 PolarHBondContact O-OH 3.29Å; I576-L670 HydrophobicContact CD1-CD2 3.8Å; I576-L672 HydrophobicContact CB-CD2 4.22Å; I576-L672 HydrophobicContact CG2-CD1 4.28Å; I576-L672 HydrophobicContact CG2-CD2 3.98Å; I576-F717 HydrophobicContact CG2-CB 4.17Å; I576-F717 HydrophobicContact CG2-CD1 3.86Å; I576-F717 HydrophobicContact CG2-CD2 4.07Å; I576-F717 HydrophobicContact CG2-CE1 4.2Å; I576-F717 HydrophobicContact CG2-CE2 4.41Å; I576-F717 HydrophobicContact CG2-CG 3.79Å; I576-F717 HydrophobicContact CG2-CZ 4.46Å
577	R	98.4	Very high	91	Very high	58 Å²	58	62.9 Å²	62.9	22%	0.219	31%	0.313	C	S	.	.	H	α-helix	trans	-55.6	-49.3	175.8	179.2	-164.9	72.4	174.4	3.9	112	W573 K574 G580 L581 L672 V673	W573-R577 VanDerWaalsContact O-CB 3.28Å; W573-R577 WeakPolarHBondContact O-CB 3.36Å; W573-R577 PolarHBondContact O-N 3.21Å; K574-R577 PolarHBondContact O-N 2.97Å; R577-G580 PolarHBondContact O-N 3.29Å; R577-L581 HydrophobicContact CG-CD1 3.83Å; R577-L581 HydrophobicContact CG-CG 4.28Å; R577-L581 WeakPolarHBondContact O-CG 3.19Å; R577-L581 PolarHBondContact O-N 3.26Å; R577-L672 HydrophobicContact CB-CB 3.98Å; R577-L672 HydrophobicContact CB-CD2 4.02Å; R577-L672 HydrophobicContact CB-CG 4.43Å; R577-L672 WeakPolarHBondContact CD-O 3.33Å; R577-L672 HydrophobicContact CG-CB 4.04Å; R577-L672 WeakPolarHBondContact CG-O 3.2Å; R577-V673 HydrophobicContact CG-CG2 3.91Å
578	D	97.7	Very high	89	Confident	66 Å²	66	65 Å²	65	35%	0.353	32%	0.322	S	S	.	.	H	α-helix	trans	-69.4	-36.3	-171.3	-64.4	-13.4	0	0	0	111.1	K574 L575 I576 M582	K574-D578 VanDerWaalsContact O-CB 3.28Å; K574-D578 WeakPolarHBondContact O-CB 3.39Å; K574-D578 PolarHBondContact O-N 2.82Å; L575-D578 PolarHBondContact O-N 3.22Å; I576-D578 PolarHBondContact O-N 2.89Å; D578-M582 WeakPolarHBondContact O-CB 3.39Å; D578-M582 VanDerWaalsContact O-CG 3.27Å; D578-M582 WeakPolarHBondContact O-CG 3.44Å; D578-M582 PolarHBondContact O-N 2.99Å
579	E	96.3	Very high	87.6	Confident	14 Å²	14	67 Å²	67	7%	0.065	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-42.8	169.2	-72.1	-169.9	148.9	0	0	112.2	L575 L581 M582 V583 A623 P624 K625 T626	L575-E579 PolarHBondContact O-N 3.36Å; L575-E579 VanDerWaalsContact O-N 3.13Å; E579-L581 PolarHBondContact O-N 3.45Å; E579-M582 PolarHBondContact O-N 3.2Å; E579-V583 PolarHBondContact O-N 3.32Å; E579-V583 VanDerWaalsContact O-N 3.16Å; E579-A623 HydrophobicContact CB-CB 3.99Å; E579-A623 WeakPolarHBondContact OE2-CA 3.48Å; E579-P624 WeakPolarHBondContact OE1-CD 3.31Å; E579-K625 VanDerWaalsContact OE1-CB 3.23Å; E579-K625 WeakPolarHBondContact OE1-CB 3.48Å; E579-K625 WeakPolarHBondContact OE1-CD 3.35Å; E579-K625 VanDerWaalsContact OE1-CG 3.31Å; E579-K625 WeakPolarHBondContact OE1-CG 3.43Å; E579-K625 PolarHBondContact OE1-N 3.03Å; E579-K625 PolarHBondContact OE2-N 3.01Å; E579-T626 VanDerWaalsContact OE2-CB 3.27Å; E579-T626 WeakPolarHBondContact OE2-CB 3.25Å; E579-T626 PolarHBondContact OE2-N 3.15Å; E579-T626 PolarHBondContact OE2-OG1 2.97Å
580	G	94.9	Very high	86.7	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-58.9	-45.6	174.8	0	0	0	0	0	113.3	I576 R577 V583 M584 Y646	I576-G580 PolarHBondContact O-N 2.8Å; R577-G580 PolarHBondContact O-N 3.29Å; G580-V583 PolarHBondContact O-N 3.04Å; G580-M584 WeakPolarHBondContact O-CG 3.22Å; G580-M584 PolarHBondContact O-N 2.83Å; G580-Y646 VanDerWaalsContact CA-CE1 3.47Å
581	L	94.4	Very high	86	Confident	48 Å²	48	68.9 Å²	68.9	25%	0.251	35%	0.354	S	S	.	.	H	α-helix	trans	-63.2	-40.6	175.1	-70.5	173.1	0	0	0	111.8	R577 E579 V583 M584 D585 V673 F713 L715	R577-L581 HydrophobicContact CG-CD1 3.83Å; R577-L581 HydrophobicContact CG-CG 4.28Å; R577-L581 WeakPolarHBondContact O-CG 3.19Å; R577-L581 PolarHBondContact O-N 3.26Å; E579-L581 PolarHBondContact O-N 3.45Å; L581-V583 PolarHBondContact O-N 2.93Å; L581-M584 HydrophobicContact CD2-CE 3.88Å; L581-M584 HydrophobicContact CD2-SD 3.88Å; L581-M584 PolarHBondContact O-N 2.71Å; L581-M584 VanDerWaalsContact O-N 3.17Å; L581-D585 VanDerWaalsContact O-CB 3.31Å; L581-D585 WeakPolarHBondContact O-CB 3.22Å; L581-D585 PolarHBondContact O-N 2.66Å; L581-V673 HydrophobicContact CD1-CG2 4.29Å; L581-V673 HydrophobicContact CD2-CG2 4.28Å; L581-F713 HydrophobicContact CD2-CE2 4.24Å; L581-F713 HydrophobicContact CD2-CZ 4.03Å; L581-L715 HydrophobicContact CD2-CD2 4.18Å; L581-L715 HydrophobicContact CG-CD2 4.31Å
582	M	91.9	Very high	85.4	Confident	118 Å²	118	65.4 Å²	65.4	58%	0.581	35%	0.349	S	S	*	.	H	α-helix	trans	-64.6	-19.4	175.4	-77.8	179.2	61.9	0	0	114.3	D578 E579	D578-M582 WeakPolarHBondContact O-CB 3.39Å; D578-M582 VanDerWaalsContact O-CG 3.27Å; D578-M582 WeakPolarHBondContact O-CG 3.44Å; D578-M582 PolarHBondContact O-N 2.99Å; E579-M582 PolarHBondContact O-N 3.2Å
583	V	89.5	Confident	84.8	Confident	5 Å²	5	66 Å²	66	3%	0.03	36%	0.355	C	S	.	.	H	α-helix	trans	-88.1	-36.3	171.8	175.4	0	0	0	0	111.7	E579 G580 L581 L590 F591 F607 G622	E579-V583 PolarHBondContact O-N 3.32Å; E579-V583 VanDerWaalsContact O-N 3.16Å; G580-V583 PolarHBondContact O-N 3.04Å; L581-V583 PolarHBondContact O-N 2.93Å; V583-L590 HydrophobicContact CG1-CB 3.82Å; V583-L590 HydrophobicContact CG1-CD1 4.04Å; V583-F591 HydrophobicContact CB-CE2 4.27Å; V583-F591 HydrophobicContact CG1-CD2 4.05Å; V583-F591 HydrophobicContact CG1-CE2 3.92Å; V583-F607 HydrophobicContact CB-CD1 4.31Å; V583-F607 HydrophobicContact CB-CE1 4.08Å; V583-F607 HydrophobicContact CG1-CD1 3.82Å; V583-F607 HydrophobicContact CG1-CD2 4.36Å; V583-F607 HydrophobicContact CG1-CE1 3.76Å; V583-F607 HydrophobicContact CG1-CE2 4.26Å; V583-F607 HydrophobicContact CG1-CG 4.14Å; V583-F607 HydrophobicContact CG1-CZ 3.96Å; V583-F607 HydrophobicContact CG2-CD1 4.48Å; V583-F607 HydrophobicContact CG2-CE1 3.78Å; V583-F607 HydrophobicContact CG2-CZ 4.12Å; V583-G622 WeakPolarHBondContact CG2-O 3.25Å
584	M	84.4	Confident	84	Confident	50 Å²	50	64.9 Å²	64.9	25%	0.246	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-44.9	173.3	-70.4	169.7	41.9	0	0	112.8	G580 L581 K586 F591 I648 F713 L715	G580-M584 WeakPolarHBondContact O-CG 3.22Å; G580-M584 PolarHBondContact O-N 2.83Å; L581-M584 HydrophobicContact CD2-CE 3.88Å; L581-M584 HydrophobicContact CD2-SD 3.88Å; L581-M584 PolarHBondContact O-N 2.71Å; L581-M584 VanDerWaalsContact O-N 3.17Å; M584-K586 PolarHBondContact O-N 3.01Å; M584-F591 HydrophobicContact CB-CE2 4.33Å; M584-F591 HydrophobicContact CG-CD2 3.94Å; M584-F591 HydrophobicContact CG-CE2 3.38Å; M584-F591 HydrophobicContact CG-CZ 3.7Å; M584-F591 HydrophobicContact SD-CZ 4.47Å; M584-I648 HydrophobicContact CE-CD1 3.44Å; M584-I648 VanDerWaalsContact CE-CD1 3.44Å; M584-I648 HydrophobicContact CG-CD1 4.46Å; M584-I648 HydrophobicContact SD-CD1 3.83Å; M584-F713 HydrophobicContact CE-CD2 4.12Å; M584-F713 HydrophobicContact CE-CE1 4.34Å; M584-F713 HydrophobicContact CE-CE2 3.72Å; M584-F713 HydrophobicContact CE-CZ 3.84Å; M584-L715 HydrophobicContact SD-CD1 3.91Å; M584-L715 HydrophobicContact SD-CD2 3.9Å; M584-L715 HydrophobicContact SD-CG 4.4Å
585	D	71.8	Confident	82.6	Confident	141 Å²	141	65.4 Å²	65.4	75%	0.754	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	19.9	-168.4	-165.3	44.2	0	0	0	114	L581	L581-D585 VanDerWaalsContact O-CB 3.31Å; L581-D585 WeakPolarHBondContact O-CB 3.22Å; L581-D585 PolarHBondContact O-N 2.66Å
586	K	53.4	Low	81.3	Confident	112 Å²	112	68.1 Å²	68.1	49%	0.487	37%	0.371	S	S	.	.	S	Bend	trans	-142.9	142.5	-173.6	-62.6	-171.8	-179.9	-177.9	0	112.1	M584 K588	M584-K586 PolarHBondContact O-N 3.01Å; K586-K588 HydrophobicContact CB-CD 4.4Å; K586-K588 HydrophobicContact CB-CG 4.05Å; K586-K588 PolarHBondContact O-N 2.66Å
587	A	50.5	Low	80.5	Confident	118 Å²	118	73.2 Å²	73.2	98%	0.975	40%	0.398	S	S	*	.	S	Bend	trans	-70.4	55.7	176.7	0	0	0	0	0	113.1
588	K	56.6	Low	79.9	Confident	121 Å²	121	71.4 Å²	71.4	53%	0.526	39%	0.393	S	S	.	.	S	Bend	trans	-104.5	-13.9	-177.6	-70.7	-172	170.1	-168.8	0	114.3	K586 L590	K586-K588 HydrophobicContact CB-CD 4.4Å; K586-K588 HydrophobicContact CB-CG 4.05Å; K586-K588 PolarHBondContact O-N 2.66Å; K588-L590 HydrophobicContact CB-CD1 4.07Å; K588-L590 HydrophobicContact CB-CG 3.99Å; K588-L590 HydrophobicContact CD-CD1 3.84Å; K588-L590 PolarHBondContact O-N 3.01Å; K588-L590 VanDerWaalsContact O-N 3.14Å
589	G	69.4	Low	79.6	Confident	56 Å²	56	72.6 Å²	72.6	58%	0.577	39%	0.393	S	S	*	.			trans	63.4	14.7	-177.9	0	0	0	0	0	115.6
590	L	80.5	Confident	79.3	Confident	59 Å²	59	76 Å²	76	31%	0.309	41%	0.409	S	S	.	.			trans	-76.1	-21.1	-175.6	-70.3	173.6	0	0	0	113.9	V583 K588 L592 F607	V583-L590 HydrophobicContact CG1-CB 3.82Å; V583-L590 HydrophobicContact CG1-CD1 4.04Å; K588-L590 HydrophobicContact CB-CD1 4.07Å; K588-L590 HydrophobicContact CB-CG 3.99Å; K588-L590 HydrophobicContact CD-CD1 3.84Å; K588-L590 PolarHBondContact O-N 3.01Å; K588-L590 VanDerWaalsContact O-N 3.14Å; L590-L592 PolarHBondContact O-N 2.79Å; L590-F607 HydrophobicContact CB-CD2 3.92Å; L590-F607 HydrophobicContact CB-CE2 3.92Å; L590-F607 HydrophobicContact CD1-CE2 4.28Å; L590-F607 HydrophobicContact CG-CE2 4.47Å; L590-F607 VanDerWaalsContact O-CD2 3.28Å; L590-F607 WeakPolarHBondContact O-CD2 3.33Å
591	F	84.3	Confident	79.1	Confident	36 Å²	36	80.9 Å²	80.9	16%	0.158	43%	0.43	C	S	.	.	S	Bend	trans	-82.2	110.6	162.6	-85.7	-92.4	0	0	0	108.1	V583 M584 Q606 F607 Y646 I648 L715	V583-F591 HydrophobicContact CB-CE2 4.27Å; V583-F591 HydrophobicContact CG1-CD2 4.05Å; V583-F591 HydrophobicContact CG1-CE2 3.92Å; M584-F591 HydrophobicContact CB-CE2 4.33Å; M584-F591 HydrophobicContact CG-CD2 3.94Å; M584-F591 HydrophobicContact CG-CE2 3.38Å; M584-F591 HydrophobicContact CG-CZ 3.7Å; M584-F591 HydrophobicContact SD-CZ 4.47Å; F591-Q606 CarbonylContact C-O 3.51Å; F591-Q606 WeakPolarHBondContact CA-O 3.48Å; F591-F607 HydrophobicContact CD1-CB 3.82Å; F591-F607 HydrophobicContact CD2-CB 3.89Å; F591-F607 HydrophobicContact CD2-CG 4.5Å; F591-F607 HydrophobicContact CE1-CB 3.7Å; F591-F607 HydrophobicContact CE2-CB 3.75Å; F591-F607 HydrophobicContact CE2-CD1 4.24Å; F591-F607 HydrophobicContact CE2-CG 4.26Å; F591-F607 HydrophobicContact CG-CB 3.93Å; F591-F607 HydrophobicContact CZ-CB 3.67Å; F591-F607 HydrophobicContact CZ-CD1 4.44Å; F591-F607 HydrophobicContact CZ-CG 4.48Å; F591-Y646 HydrophobicContact CZ-CG 4.44Å; F591-I648 HydrophobicContact CD1-CG2 3.63Å; F591-I648 HydrophobicContact CE1-CB 4.23Å; F591-I648 HydrophobicContact CE1-CG2 3.8Å; F591-L715 HydrophobicContact CZ-CD1 4.4Å
592	L	86.4	Confident	79	Confident	100 Å²	100	80.5 Å²	80.5	52%	0.524	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	148.6	173.8	-59	178.4	0	0	0	109.1	L590 S605 Q606	L590-L592 PolarHBondContact O-N 2.79Å; L592-S605 CarbonylContact O-C 3.6Å; L592-S605 WeakPolarHBondContact O-CA 3.36Å; L592-S605 WeakPolarHBondContact O-CB 3.22Å; L592-Q606 PolarHBondContact N-O 3.15Å; L592-Q606 WeakPolarHBondContact O-CG 3.19Å; L592-Q606 PolarHBondContact O-N 3.37Å
593	P	85.8	Confident	79	Confident	65 Å²	65	77.8 Å²	77.8	42%	0.422	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	154.4	168.3	-25.7	35.8	0	0	0	112	D595	P593-D595 PolarHBondContact O-N 2.83Å
594	E	82.1	Confident	79.2	Confident	21 Å²	21	78.6 Å²	78.6	10%	0.098	43%	0.427	C	S	.	.			trans	-78.1	101.2	165.5	-158.1	98	-179	0	0	108.8	E596 W604 Q606 K645	E594-E596 PolarHBondContact O-N 3.46Å; E594-W604 HydrophobicContact CB-CD2 3.66Å; E594-W604 HydrophobicContact CB-CE3 3.97Å; E594-W604 HydrophobicContact CB-CG 4.06Å; E594-W604 HydrophobicContact CB-CH2 4.37Å; E594-W604 HydrophobicContact CB-CZ2 4.08Å; E594-W604 HydrophobicContact CB-CZ3 4.3Å; E594-W604 VanDerWaalsContact CD-CE2 3.43Å; E594-W604 HydrophobicContact CG-CD2 4.01Å; E594-W604 HydrophobicContact CG-CE3 4.15Å; E594-W604 HydrophobicContact CG-CH2 3.65Å; E594-W604 HydrophobicContact CG-CZ2 3.45Å; E594-W604 VanDerWaalsContact CG-CZ2 3.45Å; E594-W604 HydrophobicContact CG-CZ3 3.98Å; E594-W604 PolarHBondContact N-O 3.39Å; E594-W604 VanDerWaalsContact N-O 3.13Å; E594-W604 WeakPolarHBondContact OE1-CZ2 3.07Å; E594-W604 VanDerWaalsContact OE2-CE2 3.28Å; E594-W604 WeakPolarHBondContact OE2-CZ2 3.28Å; E594-W604 PolarHBondContact OE2-NE1 3.06Å; E594-Q606 WeakPolarHBondContact OE2-CB 3.42Å; E594-Q606 WeakPolarHBondContact OE2-CG 3.42Å; E594-K645 IonicContact OE1-NZ 2.99Å; E594-K645 PolarHBondContact OE1-NZ 2.84Å; E594-K645 IonicContact OE2-NZ 3.06Å; E594-K645 PolarHBondContact OE2-NZ 3.23Å
595	D	68.7	Low	79.6	Confident	128 Å²	128	76.9 Å²	76.9	68%	0.684	42%	0.421	S	S	*	.			trans	-72	-10.6	-175	-64.7	-51.1	0	0	0	114.3	P593 N597	P593-D595 PolarHBondContact O-N 2.83Å; D595-N597 PolarHBondContact O-N 3.34Å
596	E	72.6	Confident	80.6	Confident	114 Å²	114	71.7 Å²	71.7	53%	0.533	39%	0.392	S	S	.	.	S	Bend	trans	-67.8	129.2	171.7	-64.2	-166.2	-150.2	0	0	109.9	E594 L598	E594-E596 PolarHBondContact O-N 3.46Å; E596-L598 HydrophobicContact CB-CD1 3.78Å; E596-L598 HydrophobicContact CB-CG 3.8Å; E596-L598 PolarHBondContact O-N 2.78Å
597	N	80.2	Confident	82.6	Confident	107 Å²	107	66.6 Å²	66.6	57%	0.572	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	57.9	-179.8	-83.6	-59.9	0	0	0	112.7	R516 D595	R516-N597 VanDerWaalsContact CZ-O 3.26Å; R516-N597 PolarHBondContact NH1-O 3.43Å; R516-N597 PolarHBondContact NH2-O 3.48Å; D595-N597 PolarHBondContact O-N 3.34Å
598	L	86.7	Confident	84.8	Confident	21 Å²	21	62 Å²	62	11%	0.11	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-19.5	-176.7	-58.6	176.1	0	0	0	112.7	E596 W604 V655 W656 H658	E596-L598 HydrophobicContact CB-CD1 3.78Å; E596-L598 HydrophobicContact CB-CG 3.8Å; E596-L598 PolarHBondContact O-N 2.78Å; L598-W604 HydrophobicContact CB-CZ3 4.2Å; L598-W604 HydrophobicContact CD1-CH2 4.28Å; L598-W604 HydrophobicContact CD1-CZ3 4.41Å; L598-V655 HydrophobicContact CB-CG1 3.78Å; L598-V655 CarbonylContact O-C 3.45Å; L598-V655 WeakPolarHBondContact O-CA 3.4Å; L598-V655 WeakPolarHBondContact O-CG1 3.42Å; L598-W656 PolarHBondContact O-N 3.01Å; L598-H658 HydrophobicContact CD2-CB 3.77Å
599	R	91.3	Very high	86.8	Confident	91 Å²	91	56.3 Å²	56.3	34%	0.343	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133	179.9	-166.5	165.9	70.1	-171	15.8	110.9	K601 G602 D603 W604 T653	R599-K601 VanDerWaalsContact CG-O 3.28Å; R599-K601 WeakPolarHBondContact CG-O 3.43Å; R599-G602 WeakPolarHBondContact CD-O 3.27Å; R599-G602 PolarHBondContact NE-O 3.09Å; R599-D603 IonicContact CZ-OD1 2.73Å; R599-D603 IonicContact NH1-OD1 2.67Å; R599-D603 PolarHBondContact NH1-OD1 3.02Å; R599-W604 VanDerWaalsContact NH1-N 3.1Å; R599-W604 PolarHBondContact NH1-O 3.03Å; R599-T653 HydrophobicContact CG-CG2 4.36Å
600	E	90.1	Very high	88.2	Confident	85 Å²	85	54.2 Å²	54.2	40%	0.397	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-50.4	165.3	177.8	-170.4	-151.9	0	0	110.1	H654 W656	E600-H654 HydrophobicContact CB-CB 4.38Å; E600-H654 PolarHBondContact N-O 2.99Å; E600-H654 IonicContact OE2-CE1 3.13Å; E600-H654 IonicContact OE2-CG 2.79Å; E600-H654 IonicContact OE2-ND1 2.91Å; E600-H654 PolarHBondContact OE2-ND1 2.91Å; E600-W656 HydrophobicContact CB-CD2 4.15Å; E600-W656 HydrophobicContact CB-CH2 4.3Å; E600-W656 HydrophobicContact CB-CZ2 3.69Å; E600-W656 HydrophobicContact CG-CH2 3.88Å; E600-W656 HydrophobicContact CG-CZ2 3.51Å
601	K	91.4	Very high	89	Confident	103 Å²	103	56.1 Å²	56.1	45%	0.448	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	169.3	-169.8	56.9	168.5	-178.3	-80.7	0	110.9	R599 G652 T653 H654	R599-K601 VanDerWaalsContact CG-O 3.28Å; R599-K601 WeakPolarHBondContact CG-O 3.43Å; K601-G652 WeakPolarHBondContact CG-O 3.28Å; K601-T653 WeakPolarHBondContact O-CA 3.45Å; K601-T653 WeakPolarHBondContact O-CG2 3.4Å; K601-H654 HydrophobicContact CG-CB 4.13Å; K601-H654 PolarHBondContact O-N 3.46Å
602	G	92.1	Very high	89.6	Confident	39 Å²	39	57.7 Å²	57.7	40%	0.402	30%	0.295	S	S	.	.	S	Bend	trans	78.2	-157.1	-179.3	0	0	0	0	0	113	R599 T653	R599-G602 WeakPolarHBondContact CD-O 3.27Å; R599-G602 PolarHBondContact NE-O 3.09Å; G602-T653 WeakPolarHBondContact CA-OG1 3.49Å
603	D	91.2	Very high	90	Very high	62 Å²	62	54.1 Å²	54.1	33%	0.332	28%	0.282	S	S	.	.			trans	-134.4	137.7	-178.5	-167.4	24.1	0	0	0	113.5	R599 H650 T653	R599-D603 IonicContact CZ-OD1 2.73Å; R599-D603 IonicContact NH1-OD1 2.67Å; R599-D603 PolarHBondContact NH1-OD1 3.02Å; D603-H650 HydrophobicContact CB-CB 4.23Å; D603-H650 PolarHBondContact O-N 3.18Å; D603-T653 PolarHBondContact N-OG1 3.29Å; D603-T653 PolarHBondContact O-OG1 3.42Å
604	W	92.9	Very high	90.6	Very high	21 Å²	21	60.1 Å²	60.1	8%	0.08	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	123	-177.9	168.4	18	0	0	0	107.5	E594 L598 R599 S647 I648 M649 T653 V655	E594-W604 HydrophobicContact CB-CD2 3.66Å; E594-W604 HydrophobicContact CB-CE3 3.97Å; E594-W604 HydrophobicContact CB-CG 4.06Å; E594-W604 HydrophobicContact CB-CH2 4.37Å; E594-W604 HydrophobicContact CB-CZ2 4.08Å; E594-W604 HydrophobicContact CB-CZ3 4.3Å; E594-W604 VanDerWaalsContact CD-CE2 3.43Å; E594-W604 HydrophobicContact CG-CD2 4.01Å; E594-W604 HydrophobicContact CG-CE3 4.15Å; E594-W604 HydrophobicContact CG-CH2 3.65Å; E594-W604 HydrophobicContact CG-CZ2 3.45Å; E594-W604 VanDerWaalsContact CG-CZ2 3.45Å; E594-W604 HydrophobicContact CG-CZ3 3.98Å; E594-W604 PolarHBondContact N-O 3.39Å; E594-W604 VanDerWaalsContact N-O 3.13Å; E594-W604 WeakPolarHBondContact OE1-CZ2 3.07Å; E594-W604 VanDerWaalsContact OE2-CE2 3.28Å; E594-W604 WeakPolarHBondContact OE2-CZ2 3.28Å; E594-W604 PolarHBondContact OE2-NE1 3.06Å; L598-W604 HydrophobicContact CB-CZ3 4.2Å; L598-W604 HydrophobicContact CD1-CH2 4.28Å; L598-W604 HydrophobicContact CD1-CZ3 4.41Å; R599-W604 VanDerWaalsContact NH1-N 3.1Å; R599-W604 PolarHBondContact NH1-O 3.03Å; W604-S647 PolarHBondContact NE1-OG 3.24Å; W604-I648 WeakPolarHBondContact CA-O 3.24Å; W604-M649 HydrophobicContact CB-CE 4.18Å; W604-M649 HydrophobicContact CD2-CE 3.97Å; W604-M649 HydrophobicContact CE3-CE 4.27Å; W604-M649 HydrophobicContact CG-CE 3.92Å; W604-T653 HydrophobicContact CB-CG2 4.34Å; W604-V655 HydrophobicContact CD2-CG2 4.44Å; W604-V655 HydrophobicContact CE3-CG1 4.3Å; W604-V655 HydrophobicContact CE3-CG2 3.55Å; W604-V655 HydrophobicContact CH2-CG1 4.35Å; W604-V655 HydrophobicContact CZ3-CB 4.32Å; W604-V655 HydrophobicContact CZ3-CG1 3.6Å; W604-V655 HydrophobicContact CZ3-CG2 3.68Å
605	S	93.1	Very high	91.3	Very high	15 Å²	15	62.1 Å²	62.1	11%	0.105	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	161.8	175.7	-68.7	0	0	0	0	111.4	L592 I648	L592-S605 CarbonylContact O-C 3.6Å; L592-S605 WeakPolarHBondContact O-CA 3.36Å; L592-S605 WeakPolarHBondContact O-CB 3.22Å; S605-I648 PolarHBondContact N-O 2.8Å; S605-I648 VanDerWaalsContact N-O 3.09Å; S605-I648 WeakPolarHBondContact O-CG2 3.12Å; S605-I648 PolarHBondContact O-N 3.01Å
606	Q	94.1	Very high	92.7	Very high	32 Å²	32	59.7 Å²	59.7	15%	0.15	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.5	-175.9	47.4	167	-10.9	0	0	112	F591 L592 E594 T608 K645 Y646	F591-Q606 CarbonylContact C-O 3.51Å; F591-Q606 WeakPolarHBondContact CA-O 3.48Å; L592-Q606 PolarHBondContact N-O 3.15Å; L592-Q606 WeakPolarHBondContact O-CG 3.19Å; L592-Q606 PolarHBondContact O-N 3.37Å; E594-Q606 WeakPolarHBondContact OE2-CB 3.42Å; E594-Q606 WeakPolarHBondContact OE2-CG 3.42Å; Q606-T608 PolarHBondContact OE1-OG1 2.97Å; Q606-K645 HydrophobicContact CB-CD 4.08Å; Q606-Y646 VanDerWaalsContact CA-O 3.28Å; Q606-Y646 WeakPolarHBondContact CA-O 3.48Å
607	F	95.4	Very high	93.8	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	108.5	170.6	168.1	-126.1	0	0	0	109.5	V583 L590 F591 L609 A619 A623 K645 Y646	V583-F607 HydrophobicContact CB-CD1 4.31Å; V583-F607 HydrophobicContact CB-CE1 4.08Å; V583-F607 HydrophobicContact CG1-CD1 3.82Å; V583-F607 HydrophobicContact CG1-CD2 4.36Å; V583-F607 HydrophobicContact CG1-CE1 3.76Å; V583-F607 HydrophobicContact CG1-CE2 4.26Å; V583-F607 HydrophobicContact CG1-CG 4.14Å; V583-F607 HydrophobicContact CG1-CZ 3.96Å; V583-F607 HydrophobicContact CG2-CD1 4.48Å; V583-F607 HydrophobicContact CG2-CE1 3.78Å; V583-F607 HydrophobicContact CG2-CZ 4.12Å; L590-F607 HydrophobicContact CB-CD2 3.92Å; L590-F607 HydrophobicContact CB-CE2 3.92Å; L590-F607 HydrophobicContact CD1-CE2 4.28Å; L590-F607 HydrophobicContact CG-CE2 4.47Å; L590-F607 VanDerWaalsContact O-CD2 3.28Å; L590-F607 WeakPolarHBondContact O-CD2 3.33Å; F591-F607 HydrophobicContact CD1-CB 3.82Å; F591-F607 HydrophobicContact CD2-CB 3.89Å; F591-F607 HydrophobicContact CD2-CG 4.5Å; F591-F607 HydrophobicContact CE1-CB 3.7Å; F591-F607 HydrophobicContact CE2-CB 3.75Å; F591-F607 HydrophobicContact CE2-CD1 4.24Å; F591-F607 HydrophobicContact CE2-CG 4.26Å; F591-F607 HydrophobicContact CG-CB 3.93Å; F591-F607 HydrophobicContact CZ-CB 3.67Å; F591-F607 HydrophobicContact CZ-CD1 4.44Å; F591-F607 HydrophobicContact CZ-CG 4.48Å; F607-L609 HydrophobicContact CD1-CD2 4.49Å; F607-L609 HydrophobicContact CE1-CD2 3.85Å; F607-L609 HydrophobicContact CZ-CD2 3.91Å; F607-A619 HydrophobicContact CD2-CB 4.4Å; F607-A619 HydrophobicContact CE2-CB 3.55Å; F607-A619 HydrophobicContact CZ-CB 3.93Å; F607-A619 VanDerWaalsContact CZ-O 3.31Å; F607-A619 WeakPolarHBondContact CZ-O 3.33Å; F607-A623 HydrophobicContact CE1-CB 4.4Å; F607-K645 CarbonylContact O-C 3.49Å; F607-K645 VanDerWaalsContact O-CA 3.3Å; F607-K645 WeakPolarHBondContact O-CA 3.34Å; F607-K645 WeakPolarHBondContact O-CB 3.21Å; F607-Y646 AromaticContact CD1-CD2 3.47Å; F607-Y646 HydrophobicContact CD1-CD2 3.47Å; F607-Y646 VanDerWaalsContact CD1-CD2 3.47Å; F607-Y646 AromaticContact CD1-CE2 4Å; F607-Y646 HydrophobicContact CD1-CE2 4Å; F607-Y646 HydrophobicContact CD1-CG 4.29Å; F607-Y646 HydrophobicContact CE1-CD2 4.06Å; F607-Y646 HydrophobicContact CE1-CE2 4.12Å; F607-Y646 HydrophobicContact CG-CD2 4.41Å; F607-Y646 PolarHBondContact N-O 3.02Å; F607-Y646 PolarHBondContact O-N 3.09Å
608	T	96.9	Very high	94.3	Very high	23 Å²	23	59.2 Å²	59.2	14%	0.141	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.8	-162.5	-59.5	0	0	0	0	112.3	Q606 W610 Q611 A619 K645	Q606-T608 PolarHBondContact OE1-OG1 2.97Å; T608-W610 VanDerWaalsContact CG2-O 3.22Å; T608-W610 WeakPolarHBondContact CG2-O 3.41Å; T608-Q611 HydrophobicContact CG2-CB 4.12Å; T608-A619 WeakPolarHBondContact O-CB 3.44Å; T608-K645 HydrophobicContact CG2-CB 4.27Å; T608-K645 WeakPolarHBondContact OG1-CB 3.19Å
609	L	97.9	Very high	94.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-37	-179.9	-55.2	-177.1	0	0	0	112.3	F607 N616 A619 A623 T626 L630 I644 Y646 F717	F607-L609 HydrophobicContact CD1-CD2 4.49Å; F607-L609 HydrophobicContact CE1-CD2 3.85Å; F607-L609 HydrophobicContact CZ-CD2 3.91Å; L609-N616 PolarHBondContact O-N 3.43Å; L609-A619 HydrophobicContact CD2-CB 3.95Å; L609-A623 HydrophobicContact CD1-CB 4.36Å; L609-A623 HydrophobicContact CD2-CB 4.19Å; L609-T626 HydrophobicContact CD1-CG2 3.92Å; L609-L630 HydrophobicContact CD1-CD1 4.45Å; L609-I644 PolarHBondContact N-O 2.67Å; L609-Y646 HydrophobicContact CD1-CE2 4.02Å; L609-Y646 HydrophobicContact CG-CE2 4.4Å; L609-F717 HydrophobicContact CD1-CE2 3.93Å; L609-F717 HydrophobicContact CD1-CZ 3.87Å
610	W	98.4	Very high	94.9	Very high	12 Å²	12	54.4 Å²	54.4	5%	0.045	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	144.3	171.6	-81.7	-105.5	0	0	0	111.1	T608 R614 K615 C627 L630 E631 T637 Q643 I644	T608-W610 VanDerWaalsContact CG2-O 3.22Å; T608-W610 WeakPolarHBondContact CG2-O 3.41Å; W610-R614 VanDerWaalsContact CA-O 3.24Å; W610-R614 WeakPolarHBondContact CA-O 3.23Å; W610-K615 HydrophobicContact CD2-CB 4.4Å; W610-K615 HydrophobicContact CD2-CG 4.35Å; W610-K615 HydrophobicContact CH2-CD 4.25Å; W610-K615 HydrophobicContact CH2-CG 4.28Å; W610-K615 HydrophobicContact CZ2-CB 4.16Å; W610-K615 HydrophobicContact CZ2-CD 3.68Å; W610-K615 HydrophobicContact CZ2-CG 3.73Å; W610-C627 HydrophobicContact CH2-CB 3.7Å; W610-C627 HydrophobicContact CZ3-CB 3.96Å; W610-C627 VanDerWaalsContact CZ3-SG 3.58Å; W610-L630 HydrophobicContact CE3-CD1 4.28Å; W610-L630 HydrophobicContact CH2-CB 4.05Å; W610-L630 HydrophobicContact CZ3-CB 4.06Å; W610-L630 HydrophobicContact CZ3-CD1 3.76Å; W610-E631 HydrophobicContact CH2-CG 4.17Å; W610-E631 HydrophobicContact CZ2-CG 3.94Å; W610-T637 HydrophobicContact CD2-CG2 4.18Å; W610-T637 HydrophobicContact CH2-CG2 4.33Å; W610-T637 HydrophobicContact CZ2-CG2 3.74Å; W610-Q643 CarbonylContact O-C 3.57Å; W610-Q643 VanDerWaalsContact O-CA 3.3Å; W610-Q643 WeakPolarHBondContact O-CA 3.37Å; W610-I644 HydrophobicContact CB-CB 4.01Å; W610-I644 HydrophobicContact CB-CD1 3.98Å; W610-I644 HydrophobicContact CB-CG1 3.95Å; W610-I644 HydrophobicContact CD2-CD1 3.97Å; W610-I644 HydrophobicContact CE3-CB 4.29Å; W610-I644 HydrophobicContact CE3-CD1 3.88Å; W610-I644 HydrophobicContact CG-CD1 4.03Å; W610-I644 PolarHBondContact N-O 2.84Å; W610-I644 VanDerWaalsContact N-O 3.16Å; W610-I644 PolarHBondContact O-N 3.4Å
611	Q	97.1	Very high	95.1	Very high	99 Å²	99	57.6 Å²	57.6	46%	0.463	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	135.5	172.3	178.2	170.1	-1.2	0	0	109.3	T608 G613 R614 Q643	T608-Q611 HydrophobicContact CG2-CB 4.12Å; Q611-G613 PolarHBondContact O-N 3.33Å; Q611-G613 VanDerWaalsContact O-N 3.11Å; Q611-R614 PolarHBondContact N-O 3.04Å; Q611-R614 WeakPolarHBondContact O-CB 3.37Å; Q611-R614 PolarHBondContact O-N 3.48Å; Q611-Q643 HydrophobicContact CB-CG 4.43Å; Q611-Q643 HydrophobicContact CG-CG 4.22Å
612	Q	96.6	Very high	95.2	Very high	69 Å²	69	53.3 Å²	53.3	32%	0.322	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	34.1	-178.6	-65.7	175.7	-3.3	0	0	113.2	R614 G642 A736 I737	Q612-R614 PolarHBondContact O-N 3.19Å; Q612-G642 PolarHBondContact N-O 2.73Å; Q612-A736 HydrophobicContact CB-CB 4.26Å; Q612-A736 HydrophobicContact CG-CB 4.25Å; Q612-I737 PolarHBondContact NE2-O 2.73Å
613	G	96.1	Very high	95.4	Very high	25 Å²	25	51.5 Å²	51.5	26%	0.258	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	11.6	-177.2	0	0	0	0	0	115.1	Q611 T637 C639	Q611-G613 PolarHBondContact O-N 3.33Å; Q611-G613 VanDerWaalsContact O-N 3.11Å; G613-T637 CarbonylContact C-O 3.55Å; G613-T637 VanDerWaalsContact CA-O 3.29Å; G613-T637 WeakPolarHBondContact CA-O 3.48Å; G613-C639 PolarHBondContact N-O 2.9Å; G613-C639 VanDerWaalsContact N-O 3.15Å
614	R	97.5	Very high	95.7	Very high	191 Å²	191	51.4 Å²	51.4	72%	0.721	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	136.4	173.2	-61.3	179.5	177	-177.9	-1.9	109.7	W610 Q611 Q612	W610-R614 VanDerWaalsContact CA-O 3.24Å; W610-R614 WeakPolarHBondContact CA-O 3.23Å; Q611-R614 PolarHBondContact N-O 3.04Å; Q611-R614 WeakPolarHBondContact O-CB 3.37Å; Q611-R614 PolarHBondContact O-N 3.48Å; Q612-R614 PolarHBondContact O-N 3.19Å
615	K	97.6	Very high	95.9	Very high	64 Å²	64	56.6 Å²	56.6	28%	0.278	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134	176.2	-175.6	177	164.9	-154.3	0	110.1	W610 E617 C620 E631	W610-K615 HydrophobicContact CD2-CB 4.4Å; W610-K615 HydrophobicContact CD2-CG 4.35Å; W610-K615 HydrophobicContact CH2-CD 4.25Å; W610-K615 HydrophobicContact CH2-CG 4.28Å; W610-K615 HydrophobicContact CZ2-CB 4.16Å; W610-K615 HydrophobicContact CZ2-CD 3.68Å; W610-K615 HydrophobicContact CZ2-CG 3.73Å; K615-E617 VanDerWaalsContact CD-OE1 3.22Å; K615-E617 WeakPolarHBondContact CD-OE1 3.31Å; K615-E617 WeakPolarHBondContact CE-OE1 3.34Å; K615-E617 WeakPolarHBondContact CE-OE2 3.48Å; K615-E617 IonicContact NZ-OE1 3.28Å; K615-E617 PolarHBondContact NZ-OE1 2.83Å; K615-E617 IonicContact NZ-OE2 2.64Å; K615-E617 PolarHBondContact NZ-OE2 3.5Å; K615-C620 WeakPolarHBondContact CE-SG 3.33Å; K615-E631 VanDerWaalsContact CE-OE1 3.25Å; K615-E631 WeakPolarHBondContact CE-OE1 3.42Å; K615-E631 IonicContact NZ-OE1 3.91Å; K615-E631 PolarHBondContact NZ-OE1 3.16Å
616	N	96.4	Very high	96.2	Very high	76 Å²	76	55.9 Å²	55.9	41%	0.406	27%	0.272	S	S	.	.			trans	-91.4	97.8	169.6	-179	-18.3	0	0	0	108.9	L609 N618 A619 C620	L609-N616 PolarHBondContact O-N 3.43Å; N616-N618 VanDerWaalsContact C-N 3.26Å; N616-N618 PolarHBondContact O-N 2.96Å; N616-N618 PolarHBondContact OD1-N 3.26Å; N616-N618 VanDerWaalsContact OD1-N 3.14Å; N616-A619 HydrophobicContact CB-CB 3.85Å; N616-A619 PolarHBondContact O-N 3.17Å; N616-A619 VanDerWaalsContact O-N 3.14Å; N616-A619 PolarHBondContact OD1-N 3.38Å; N616-C620 PolarHBondContact O-N 3.24Å
617	E	95.7	Very high	96.4	Very high	103 Å²	103	54.5 Å²	54.5	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-31.6	-177.8	-67.3	-63.9	171.3	0	0	113.1	K615 C620 K621	K615-E617 VanDerWaalsContact CD-OE1 3.22Å; K615-E617 WeakPolarHBondContact CD-OE1 3.31Å; K615-E617 WeakPolarHBondContact CE-OE1 3.34Å; K615-E617 WeakPolarHBondContact CE-OE2 3.48Å; K615-E617 IonicContact NZ-OE1 3.28Å; K615-E617 PolarHBondContact NZ-OE1 2.83Å; K615-E617 IonicContact NZ-OE2 2.64Å; K615-E617 PolarHBondContact NZ-OE2 3.5Å; E617-C620 PolarHBondContact O-N 2.85Å; E617-K621 WeakPolarHBondContact O-CG 3.45Å; E617-K621 PolarHBondContact O-N 2.88Å; E617-K621 VanDerWaalsContact O-N 3.08Å
618	N	92.3	Very high	96.5	Very high	109 Å²	109	58.2 Å²	58.2	58%	0.583	29%	0.288	S	S	*	.	H	α-helix	trans	-70.7	-35.5	175.8	-76.5	-24	0	0	0	112.1	N616 K621	N616-N618 VanDerWaalsContact C-N 3.26Å; N616-N618 PolarHBondContact O-N 2.96Å; N616-N618 PolarHBondContact OD1-N 3.26Å; N616-N618 VanDerWaalsContact OD1-N 3.14Å; N618-K621 PolarHBondContact OD1-NZ 2.95Å
619	A	94.1	Very high	96.6	Very high	3 Å²	3	58.1 Å²	58.1	3%	0.025	29%	0.287	C	S	.	.	H	α-helix	trans	-70.7	-39.2	170.6	0	0	0	0	0	112	F607 T608 L609 N616 K621 G622 A623	F607-A619 HydrophobicContact CD2-CB 4.4Å; F607-A619 HydrophobicContact CE2-CB 3.55Å; F607-A619 HydrophobicContact CZ-CB 3.93Å; F607-A619 VanDerWaalsContact CZ-O 3.31Å; F607-A619 WeakPolarHBondContact CZ-O 3.33Å; T608-A619 WeakPolarHBondContact O-CB 3.44Å; L609-A619 HydrophobicContact CD2-CB 3.95Å; N616-A619 HydrophobicContact CB-CB 3.85Å; N616-A619 PolarHBondContact O-N 3.17Å; N616-A619 VanDerWaalsContact O-N 3.14Å; N616-A619 PolarHBondContact OD1-N 3.38Å; A619-K621 VanDerWaalsContact C-N 3.26Å; A619-K621 PolarHBondContact O-N 2.87Å; A619-G622 WeakPolarHBondContact O-CA 3.5Å; A619-G622 PolarHBondContact O-N 3.47Å; A619-A623 PolarHBondContact O-N 3.07Å
620	C	96	Very high	96.6	Very high	7 Å²	7	58.2 Å²	58.2	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-24.4	176	-77.7	0	0	0	0	113.8	K615 N616 E617 G622 A623 P624 C627	K615-C620 WeakPolarHBondContact CE-SG 3.33Å; N616-C620 PolarHBondContact O-N 3.24Å; E617-C620 PolarHBondContact O-N 2.85Å; C620-G622 PolarHBondContact O-N 3.03Å; C620-A623 CarbonylContact O-C 3.35Å; C620-A623 PolarHBondContact O-N 3.16Å; C620-P624 WeakPolarHBondContact O-CA 3.3Å; C620-P624 WeakPolarHBondContact O-CB 3.49Å; C620-P624 WeakPolarHBondContact O-CD 3.43Å; C620-C627 WeakPolarHBondContact CA-SG 3.49Å; C620-C627 HydrophobicContact CB-CB 3.78Å; C620-C627 WeakPolarHBondContact CB-SG 3.45Å; C620-C627 WeakPolarHBondContact SG-CB 3.42Å; C620-C627 CovalentContact SG-SG 2.04Å; C620-C627 PolarHBondContact SG-SG 2.98Å
621	K	94.3	Very high	96.6	Very high	152 Å²	152	61.9 Å²	61.9	66%	0.661	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.7	166.5	-67.5	164.4	-165.1	171.4	0	113.1	E617 N618 A619	E617-K621 WeakPolarHBondContact O-CG 3.45Å; E617-K621 PolarHBondContact O-N 2.88Å; E617-K621 VanDerWaalsContact O-N 3.08Å; N618-K621 PolarHBondContact OD1-NZ 2.95Å; A619-K621 VanDerWaalsContact C-N 3.26Å; A619-K621 PolarHBondContact O-N 2.87Å
622	G	92.5	Very high	96.6	Very high	14 Å²	14	64.4 Å²	64.4	14%	0.144	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-35.6	174.9	0	0	0	0	0	114.3	V583 A619 C620 P624	V583-G622 WeakPolarHBondContact CG2-O 3.25Å; A619-G622 WeakPolarHBondContact O-CA 3.5Å; A619-G622 PolarHBondContact O-N 3.47Å; C620-G622 PolarHBondContact O-N 3.03Å; G622-P624 VanDerWaalsContact C-CD 3.48Å
623	A	96.4	Very high	96.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-129.8	61.8	178.4	0	0	0	0	0	112.1	E579 F607 L609 A619 C620 K625 T626 C627 Y646	E579-A623 HydrophobicContact CB-CB 3.99Å; E579-A623 WeakPolarHBondContact OE2-CA 3.48Å; F607-A623 HydrophobicContact CE1-CB 4.4Å; L609-A623 HydrophobicContact CD1-CB 4.36Å; L609-A623 HydrophobicContact CD2-CB 4.19Å; A619-A623 PolarHBondContact O-N 3.07Å; C620-A623 CarbonylContact O-C 3.35Å; C620-A623 PolarHBondContact O-N 3.16Å; A623-K625 PolarHBondContact O-N 3.29Å; A623-T626 PolarHBondContact O-N 3.36Å; A623-C627 PolarHBondContact O-N 3.05Å; A623-C627 PolarHBondContact O-SG 2.95Å; A623-Y646 HydrophobicContact CB-CE2 4.03Å
624	P	97.6	Very high	96.7	Very high	60 Å²	60	65.5 Å²	65.5	39%	0.39	32%	0.322	S	S	.	.	H	α-helix	trans	-66	-40.3	-167.4	24.7	-34.5	0	0	0	113.2	E579 C620 G622 T626 C627 T628	E579-P624 WeakPolarHBondContact OE1-CD 3.31Å; C620-P624 WeakPolarHBondContact O-CA 3.3Å; C620-P624 WeakPolarHBondContact O-CB 3.49Å; C620-P624 WeakPolarHBondContact O-CD 3.43Å; G622-P624 VanDerWaalsContact C-CD 3.48Å; P624-T626 VanDerWaalsContact C-N 3.34Å; P624-C627 PolarHBondContact O-N 2.68Å; P624-T628 PolarHBondContact O-N 2.81Å; P624-T628 PolarHBondContact O-OG1 2.96Å; P624-T628 VanDerWaalsContact O-OG1 3.14Å
625	K	98.4	Very high	96.7	Very high	131 Å²	131	58 Å²	58	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-72.5	-33.7	-177.8	-57.8	164.1	-176.7	168.8	0	110.8	L575 E579 A623 L629	L575-K625 HydrophobicContact CD1-CB 3.96Å; L575-K625 HydrophobicContact CD1-CD 3.59Å; L575-K625 HydrophobicContact CD1-CG 4.44Å; L575-K625 HydrophobicContact CD2-CB 4.07Å; L575-K625 HydrophobicContact CG-CB 4.32Å; E579-K625 VanDerWaalsContact OE1-CB 3.23Å; E579-K625 WeakPolarHBondContact OE1-CB 3.48Å; E579-K625 WeakPolarHBondContact OE1-CD 3.35Å; E579-K625 VanDerWaalsContact OE1-CG 3.31Å; E579-K625 WeakPolarHBondContact OE1-CG 3.43Å; E579-K625 PolarHBondContact OE1-N 3.03Å; E579-K625 PolarHBondContact OE2-N 3.01Å; A623-K625 PolarHBondContact O-N 3.29Å; K625-L629 WeakPolarHBondContact O-CB 3.37Å; K625-L629 PolarHBondContact O-N 2.89Å
626	T	98.4	Very high	96.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-44.5	170.4	-57.6	0	0	0	0	110.9	I576 E579 L609 A623 P624 L629 L630 Y646 F717	I576-T626 HydrophobicContact CG1-CG2 4.23Å; I576-T626 HydrophobicContact CG2-CG2 4.08Å; E579-T626 VanDerWaalsContact OE2-CB 3.27Å; E579-T626 WeakPolarHBondContact OE2-CB 3.25Å; E579-T626 PolarHBondContact OE2-N 3.15Å; E579-T626 PolarHBondContact OE2-OG1 2.97Å; L609-T626 HydrophobicContact CD1-CG2 3.92Å; A623-T626 PolarHBondContact O-N 3.36Å; P624-T626 VanDerWaalsContact C-N 3.34Å; T626-L629 WeakPolarHBondContact O-CB 3.42Å; T626-L629 PolarHBondContact O-N 2.87Å; T626-L630 HydrophobicContact CG2-CD1 4.02Å; T626-L630 WeakPolarHBondContact O-CD1 3.26Å; T626-L630 WeakPolarHBondContact O-CG 3.26Å; T626-L630 PolarHBondContact O-N 2.96Å; T626-L630 VanDerWaalsContact O-N 3.14Å; T626-Y646 PolarHBondContact OG1-OH 3.25Å; T626-F717 HydrophobicContact CG2-CE1 4.09Å; T626-F717 HydrophobicContact CG2-CE2 4.21Å; T626-F717 HydrophobicContact CG2-CZ 3.59Å
627	C	98.1	Very high	96.8	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.014	27%	0.269	C	S	.	.	H	α-helix	trans	-63	-48.2	175.2	-68.9	0	0	0	0	112.4	W610 C620 A623 P624 L629 L630 E631	W610-C627 HydrophobicContact CH2-CB 3.7Å; W610-C627 HydrophobicContact CZ3-CB 3.96Å; W610-C627 VanDerWaalsContact CZ3-SG 3.58Å; C620-C627 WeakPolarHBondContact CA-SG 3.49Å; C620-C627 HydrophobicContact CB-CB 3.78Å; C620-C627 WeakPolarHBondContact CB-SG 3.45Å; C620-C627 WeakPolarHBondContact SG-CB 3.42Å; C620-C627 CovalentContact SG-SG 2.04Å; C620-C627 PolarHBondContact SG-SG 2.98Å; A623-C627 PolarHBondContact O-N 3.05Å; A623-C627 PolarHBondContact O-SG 2.95Å; P624-C627 PolarHBondContact O-N 2.68Å; C627-L629 PolarHBondContact O-N 3.28Å; C627-L630 PolarHBondContact O-N 3.39Å; C627-E631 WeakPolarHBondContact O-CG 3.31Å; C627-E631 PolarHBondContact O-N 3.07Å
628	T	98.4	Very high	96.9	Very high	82 Å²	82	48.9 Å²	48.9	50%	0.503	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-22.8	176.4	-55.3	0	0	0	0	113.6	P624	P624-T628 PolarHBondContact O-N 2.81Å; P624-T628 PolarHBondContact O-OG1 2.96Å; P624-T628 VanDerWaalsContact O-OG1 3.14Å
629	L	98.3	Very high	97.2	Very high	21 Å²	21	43.7 Å²	43.7	11%	0.11	23%	0.233	C	C	.	.	H	α-helix	trans	-72.8	-41.2	171	-172.7	67.2	0	0	0	111.7	S568 N572 I576 K625 T626 C627 F633	S568-L629 WeakPolarHBondContact OG-CD1 3.45Å; N572-L629 HydrophobicContact CB-CD2 3.62Å; I576-L629 HydrophobicContact CD1-CD2 4.17Å; I576-L629 HydrophobicContact CG1-CD2 4.49Å; K625-L629 WeakPolarHBondContact O-CB 3.37Å; K625-L629 PolarHBondContact O-N 2.89Å; T626-L629 WeakPolarHBondContact O-CB 3.42Å; T626-L629 PolarHBondContact O-N 2.87Å; C627-L629 PolarHBondContact O-N 3.28Å; L629-F633 WeakPolarHBondContact O-CD2 3.5Å; L629-F633 WeakPolarHBondContact O-CE2 3.46Å
630	L	98.3	Very high	97.3	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-79.1	-30.5	-174.6	-72	164.6	0	0	0	114.1	L609 W610 T626 C627 K632 F633 T636 T637 I644 F717 V719	L609-L630 HydrophobicContact CD1-CD1 4.45Å; W610-L630 HydrophobicContact CE3-CD1 4.28Å; W610-L630 HydrophobicContact CH2-CB 4.05Å; W610-L630 HydrophobicContact CZ3-CB 4.06Å; W610-L630 HydrophobicContact CZ3-CD1 3.76Å; T626-L630 HydrophobicContact CG2-CD1 4.02Å; T626-L630 WeakPolarHBondContact O-CD1 3.26Å; T626-L630 WeakPolarHBondContact O-CG 3.26Å; T626-L630 PolarHBondContact O-N 2.96Å; T626-L630 VanDerWaalsContact O-N 3.14Å; C627-L630 PolarHBondContact O-N 3.39Å; L630-K632 PolarHBondContact O-N 2.94Å; L630-F633 PolarHBondContact O-N 3.49Å; L630-T636 HydrophobicContact CD2-CG2 4.36Å; L630-T637 HydrophobicContact CB-CG2 4.08Å; L630-T637 WeakPolarHBondContact O-CG2 3.29Å; L630-I644 HydrophobicContact CD1-CD1 4.32Å; L630-I644 HydrophobicContact CD1-CG2 3.76Å; L630-I644 HydrophobicContact CD2-CD1 4.44Å; L630-F717 HydrophobicContact CD1-CE1 4.02Å; L630-F717 HydrophobicContact CD1-CZ 3.83Å; L630-V719 HydrophobicContact CD2-CG1 4.49Å
631	E	97.8	Very high	97.4	Very high	90 Å²	90	47 Å²	47	42%	0.421	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-18.8	178.1	-76.9	166.9	165.2	0	0	113.5	W610 K615 C627	W610-E631 HydrophobicContact CH2-CG 4.17Å; W610-E631 HydrophobicContact CZ2-CG 3.94Å; K615-E631 VanDerWaalsContact CE-OE1 3.25Å; K615-E631 WeakPolarHBondContact CE-OE1 3.42Å; K615-E631 IonicContact NZ-OE1 3.91Å; K615-E631 PolarHBondContact NZ-OE1 3.16Å; C627-E631 WeakPolarHBondContact O-CG 3.31Å; C627-E631 PolarHBondContact O-N 3.07Å
632	K	97.6	Very high	97.5	Very high	151 Å²	151	39.9 Å²	39.9	66%	0.657	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.1	176	-57.4	175.5	-173.1	178.8	0	114.4	L630	L630-K632 PolarHBondContact O-N 2.94Å
633	F	98.3	Very high	97.8	Very high	28 Å²	28	40.5 Å²	40.5	12%	0.123	21%	0.213	C	C	.	.			trans	-119.6	80.1	-168.9	-60.7	-78.7	0	0	0	111.7	L565 L629 L630 E635 T636 T637	L565-F633 HydrophobicContact CB-CD1 3.78Å; L565-F633 HydrophobicContact CB-CE1 4.05Å; L565-F633 HydrophobicContact CB-CG 4.3Å; L565-F633 HydrophobicContact CD1-CB 4.04Å; L565-F633 HydrophobicContact CD1-CD1 4.1Å; L565-F633 HydrophobicContact CD1-CD2 3.91Å; L565-F633 HydrophobicContact CD1-CE2 4.4Å; L565-F633 HydrophobicContact CD1-CG 3.74Å; L565-F633 HydrophobicContact CG-CD1 4.47Å; L629-F633 WeakPolarHBondContact O-CD2 3.5Å; L629-F633 WeakPolarHBondContact O-CE2 3.46Å; L630-F633 PolarHBondContact O-N 3.49Å; F633-E635 VanDerWaalsContact CA-OE2 3.23Å; F633-E635 WeakPolarHBondContact CA-OE2 3.4Å; F633-E635 HydrophobicContact CB-CG 4.42Å; F633-E635 PolarHBondContact O-N 2.85Å; F633-E635 VanDerWaalsContact O-N 3.09Å; F633-T636 HydrophobicContact CB-CG2 3.91Å; F633-T636 VanDerWaalsContact O-CG2 3.31Å; F633-T636 WeakPolarHBondContact O-CG2 3.37Å; F633-T636 PolarHBondContact O-N 2.87Å; F633-T637 PolarHBondContact O-N 2.88Å; F633-T637 PolarHBondContact O-OG1 2.99Å; F633-T637 VanDerWaalsContact O-OG1 3.11Å
634	S	97.4	Very high	97.9	Very high	89 Å²	89	40.5 Å²	40.5	62%	0.622	21%	0.213	S	C	*	.	H	α-helix	trans	-56.7	-23	-179.5	68.2	0	0	0	0	114.5	T636 G638	S634-T636 PolarHBondContact O-N 3.25Å; S634-G638 VanDerWaalsContact O-CA 3.31Å; S634-G638 WeakPolarHBondContact O-CA 3.48Å; S634-G638 PolarHBondContact O-N 2.98Å
635	E	97.4	Very high	97.9	Very high	33 Å²	33	37.8 Å²	37.8	15%	0.154	20%	0.195	C	C	.	.	H	α-helix	trans	-63.3	-25.7	175.5	57.8	-96.3	-124.5	0	0	113.8	Y562 L565 F633 V721 W722	Y562-E635 HydrophobicContact CD1-CB 3.87Å; Y562-E635 HydrophobicContact CD1-CG 3.61Å; Y562-E635 HydrophobicContact CE1-CB 3.36Å; Y562-E635 HydrophobicContact CE1-CG 3.69Å; Y562-E635 HydrophobicContact CG-CG 4.29Å; L565-E635 HydrophobicContact CD2-CG 4.07Å; F633-E635 VanDerWaalsContact CA-OE2 3.23Å; F633-E635 WeakPolarHBondContact CA-OE2 3.4Å; F633-E635 HydrophobicContact CB-CG 4.42Å; F633-E635 PolarHBondContact O-N 2.85Å; F633-E635 VanDerWaalsContact O-N 3.09Å; E635-V721 HydrophobicContact CG-CG1 4.14Å; E635-V721 WeakPolarHBondContact O-CA 3.24Å; E635-W722 PolarHBondContact O-N 3.45Å
636	T	98.3	Very high	97.9	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.018	17%	0.168	C	C	.	.	H	α-helix	trans	-111.2	-47	176.3	-178.6	0	0	0	0	112.4	L565 L630 F633 S634 G638 C639 I644 V719 D720	L565-T636 HydrophobicContact CD1-CG2 4.36Å; L565-T636 HydrophobicContact CD2-CG2 4.04Å; L630-T636 HydrophobicContact CD2-CG2 4.36Å; F633-T636 HydrophobicContact CB-CG2 3.91Å; F633-T636 VanDerWaalsContact O-CG2 3.31Å; F633-T636 WeakPolarHBondContact O-CG2 3.37Å; F633-T636 PolarHBondContact O-N 2.87Å; S634-T636 PolarHBondContact O-N 3.25Å; T636-G638 VanDerWaalsContact C-N 3.25Å; T636-G638 PolarHBondContact O-N 3.35Å; T636-C639 WeakPolarHBondContact O-CB 3.22Å; T636-C639 PolarHBondContact O-N 2.93Å; T636-I644 HydrophobicContact CG2-CD1 4.01Å; T636-I644 WeakPolarHBondContact OG1-CD1 3.4Å; T636-I644 WeakPolarHBondContact OG1-CG1 3.43Å; T636-V719 HydrophobicContact CG2-CG1 3.86Å; T636-V719 WeakPolarHBondContact OG1-CG1 3.48Å; T636-D720 WeakPolarHBondContact CA-O 2.94Å; T636-D720 WeakPolarHBondContact CB-O 3.03Å; T636-D720 PolarHBondContact OG1-O 3.29Å
637	T	98	Very high	97.9	Very high	19 Å²	19	31.7 Å²	31.7	12%	0.117	17%	0.169	C	C	.	.	H	α-helix	trans	-67.8	-27.4	-179.9	54.3	0	0	0	0	112.7	W610 G613 L630 F633 I644	W610-T637 HydrophobicContact CD2-CG2 4.18Å; W610-T637 HydrophobicContact CH2-CG2 4.33Å; W610-T637 HydrophobicContact CZ2-CG2 3.74Å; G613-T637 CarbonylContact C-O 3.55Å; G613-T637 VanDerWaalsContact CA-O 3.29Å; G613-T637 WeakPolarHBondContact CA-O 3.48Å; L630-T637 HydrophobicContact CB-CG2 4.08Å; L630-T637 WeakPolarHBondContact O-CG2 3.29Å; F633-T637 PolarHBondContact O-N 2.88Å; F633-T637 PolarHBondContact O-OG1 2.99Å; F633-T637 VanDerWaalsContact O-OG1 3.11Å; T637-I644 HydrophobicContact CG2-CD1 4.02Å
638	G	96.7	Very high	97.8	Very high	30 Å²	30	32 Å²	32	31%	0.309	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	9.5	169.5	0	0	0	0	0	114.6	S634 T636 R640 W722	S634-G638 VanDerWaalsContact O-CA 3.31Å; S634-G638 WeakPolarHBondContact O-CA 3.48Å; S634-G638 PolarHBondContact O-N 2.98Å; T636-G638 VanDerWaalsContact C-N 3.25Å; T636-G638 PolarHBondContact O-N 3.35Å; G638-R640 PolarHBondContact O-N 3.11Å; G638-W722 WeakPolarHBondContact O-CZ2 3.46Å; G638-W722 PolarHBondContact O-NE1 2.96Å
639	C	97.8	Very high	97.7	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	15%	0.148	C	C	.	.			trans	-76.1	89.2	-179.7	-165.3	0	0	0	0	111.2	G613 T636 R641 G642	G613-C639 PolarHBondContact N-O 2.9Å; G613-C639 VanDerWaalsContact N-O 3.15Å; T636-C639 WeakPolarHBondContact O-CB 3.22Å; T636-C639 PolarHBondContact O-N 2.93Å; C639-R641 PolarHBondContact O-N 3.33Å; C639-G642 PolarHBondContact O-N 3.47Å
640	R	97.4	Very high	97.5	Very high	68 Å²	68	30.6 Å²	30.6	26%	0.257	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-0.4	-177.4	-62.8	-178.2	-58.8	103.5	17.7	114.9	G638 W722 R731 R732 L734 A736 I737	G638-R640 PolarHBondContact O-N 3.11Å; R640-W722 HydrophobicContact CB-CH2 4.13Å; R640-W722 HydrophobicContact CB-CZ2 3.97Å; R640-W722 HydrophobicContact CG-CZ2 4.41Å; R640-W722 VanDerWaalsContact N-CZ2 3.31Å; R640-R731 PolarHBondContact NE-O 2.74Å; R640-R731 PolarHBondContact NH2-O 2.58Å; R640-R732 VanDerWaalsContact NH2-C 3.28Å; R640-R732 PolarHBondContact NH2-O 3.39Å; R640-R732 VanDerWaalsContact NH2-O 3.1Å; R640-L734 PolarHBondContact NH1-O 3.29Å; R640-L734 PolarHBondContact NH2-O 3.02Å; R640-A736 HydrophobicContact CB-CB 4.43Å; R640-A736 WeakPolarHBondContact O-CA 3.37Å; R640-A736 VanDerWaalsContact O-CB 3.26Å; R640-A736 WeakPolarHBondContact O-CB 3.4Å; R640-I737 PolarHBondContact O-N 2.98Å
641	R	97.9	Very high	97.5	Very high	10 Å²	10	33.2 Å²	33.2	4%	0.038	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	12	173.7	-67.2	-174.3	166.8	-159.1	-10.4	113	Y544 C639 T662 C664 R665 W722 P735 I737	Y544-R641 PolarHBondContact O-NH1 3.14Å; C639-R641 PolarHBondContact O-N 3.33Å; R641-T662 HydrophobicContact CB-CG2 4.16Å; R641-T662 PolarHBondContact NH1-OG1 3.42Å; R641-C664 PolarHBondContact NH1-SG 3.05Å; R641-R665 WeakPolarHBondContact O-CD 3.42Å; R641-R665 PolarHBondContact O-NH1 2.91Å; R641-W722 HydrophobicContact CB-CZ3 4.34Å; R641-W722 HydrophobicContact CG-CH2 4.26Å; R641-W722 HydrophobicContact CG-CZ3 4.15Å; R641-P735 PolarHBondContact NE-O 3.05Å; R641-P735 PolarHBondContact NH2-O 2.95Å; R641-I737 WeakPolarHBondContact CA-OXT 3.24Å; R641-I737 HydrophobicContact CB-CB 4.5Å; R641-I737 HydrophobicContact CG-CB 4.23Å; R641-I737 HydrophobicContact CG-CD1 4.17Å; R641-I737 HydrophobicContact CG-CG1 4.03Å
642	G	97.3	Very high	97.4	Very high	3 Å²	3	30.7 Å²	30.7	3%	0.031	17%	0.173	C	C	.	.			trans	-129	171.6	-173	0	0	0	0	0	112.8	Q612 C639 D720	Q612-G642 PolarHBondContact N-O 2.73Å; C639-G642 PolarHBondContact O-N 3.47Å; G642-D720 WeakPolarHBondContact CA-OD2 3.47Å
643	Q	98	Very high	97.4	Very high	27 Å²	27	23.5 Å²	23.5	13%	0.126	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.4	174.5	-66	167.6	4.4	0	0	110	W610 Q611 K645 D720	W610-Q643 CarbonylContact O-C 3.57Å; W610-Q643 VanDerWaalsContact O-CA 3.3Å; W610-Q643 WeakPolarHBondContact O-CA 3.37Å; Q611-Q643 HydrophobicContact CB-CG 4.43Å; Q611-Q643 HydrophobicContact CG-CG 4.22Å; Q643-K645 HydrophobicContact CB-CD 4.38Å; Q643-K645 VanDerWaalsContact OE1-CE 3.31Å; Q643-D720 PolarHBondContact N-OD2 2.93Å; Q643-D720 WeakPolarHBondContact O-CB 3.43Å; Q643-D720 PolarHBondContact O-N 3.41Å
644	I	98.7	Very high	97.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	113.6	163.4	-51.7	174.2	0	0	0	107.1	L609 W610 L630 T636 T637 F717 I718 V719	L609-I644 PolarHBondContact N-O 2.67Å; W610-I644 HydrophobicContact CB-CB 4.01Å; W610-I644 HydrophobicContact CB-CD1 3.98Å; W610-I644 HydrophobicContact CB-CG1 3.95Å; W610-I644 HydrophobicContact CD2-CD1 3.97Å; W610-I644 HydrophobicContact CE3-CB 4.29Å; W610-I644 HydrophobicContact CE3-CD1 3.88Å; W610-I644 HydrophobicContact CG-CD1 4.03Å; W610-I644 PolarHBondContact N-O 2.84Å; W610-I644 VanDerWaalsContact N-O 3.16Å; W610-I644 PolarHBondContact O-N 3.4Å; L630-I644 HydrophobicContact CD1-CD1 4.32Å; L630-I644 HydrophobicContact CD1-CG2 3.76Å; L630-I644 HydrophobicContact CD2-CD1 4.44Å; T636-I644 HydrophobicContact CG2-CD1 4.01Å; T636-I644 WeakPolarHBondContact OG1-CD1 3.4Å; T636-I644 WeakPolarHBondContact OG1-CG1 3.43Å; T637-I644 HydrophobicContact CG2-CD1 4.02Å; I644-F717 HydrophobicContact CG2-CE1 3.86Å; I644-F717 HydrophobicContact CG2-CE2 4.2Å; I644-F717 HydrophobicContact CG2-CZ 3.48Å; I644-F717 VanDerWaalsContact CG2-CZ 3.48Å; I644-I718 WeakPolarHBondContact CA-O 3.3Å; I644-V719 HydrophobicContact CG2-CG2 4.22Å
645	K	97.9	Very high	97.3	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.013	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	146.6	-171.5	67.9	-173.4	-169.1	-177.2	0	113.8	E594 Q606 F607 T608 Q643 I718	E594-K645 IonicContact OE1-NZ 2.99Å; E594-K645 PolarHBondContact OE1-NZ 2.84Å; E594-K645 IonicContact OE2-NZ 3.06Å; E594-K645 PolarHBondContact OE2-NZ 3.23Å; Q606-K645 HydrophobicContact CB-CD 4.08Å; F607-K645 CarbonylContact O-C 3.49Å; F607-K645 VanDerWaalsContact O-CA 3.3Å; F607-K645 WeakPolarHBondContact O-CA 3.34Å; F607-K645 WeakPolarHBondContact O-CB 3.21Å; T608-K645 HydrophobicContact CG2-CB 4.27Å; T608-K645 WeakPolarHBondContact OG1-CB 3.19Å; Q643-K645 HydrophobicContact CB-CD 4.38Å; Q643-K645 VanDerWaalsContact OE1-CE 3.31Å; K645-I718 HydrophobicContact CG-CB 4.03Å; K645-I718 HydrophobicContact CG-CD1 4.26Å; K645-I718 HydrophobicContact CG-CG1 4.38Å; K645-I718 PolarHBondContact N-O 2.89Å; K645-I718 WeakPolarHBondContact O-CB 3.49Å; K645-I718 PolarHBondContact O-N 3.18Å
646	Y	98.3	Very high	97.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	141.8	160.2	-64.2	-92.8	0	0	0	109.1	I576 G580 F591 Q606 F607 L609 A623 T626 L672 L715 F717	I576-Y646 HydrophobicContact CG2-CE1 3.9Å; I576-Y646 VanDerWaalsContact O-CE1 3.3Å; I576-Y646 WeakPolarHBondContact O-CE1 3.23Å; I576-Y646 PolarHBondContact O-OH 3.29Å; G580-Y646 VanDerWaalsContact CA-CE1 3.47Å; F591-Y646 HydrophobicContact CZ-CG 4.44Å; Q606-Y646 VanDerWaalsContact CA-O 3.28Å; Q606-Y646 WeakPolarHBondContact CA-O 3.48Å; F607-Y646 AromaticContact CD1-CD2 3.47Å; F607-Y646 HydrophobicContact CD1-CD2 3.47Å; F607-Y646 VanDerWaalsContact CD1-CD2 3.47Å; F607-Y646 AromaticContact CD1-CE2 4Å; F607-Y646 HydrophobicContact CD1-CE2 4Å; F607-Y646 HydrophobicContact CD1-CG 4.29Å; F607-Y646 HydrophobicContact CE1-CD2 4.06Å; F607-Y646 HydrophobicContact CE1-CE2 4.12Å; F607-Y646 HydrophobicContact CG-CD2 4.41Å; F607-Y646 PolarHBondContact N-O 3.02Å; F607-Y646 PolarHBondContact O-N 3.09Å; L609-Y646 HydrophobicContact CD1-CE2 4.02Å; L609-Y646 HydrophobicContact CG-CE2 4.4Å; A623-Y646 HydrophobicContact CB-CE2 4.03Å; T626-Y646 PolarHBondContact OG1-OH 3.25Å; Y646-L672 HydrophobicContact CD1-CD1 3.63Å; Y646-L672 HydrophobicContact CE1-CD1 3.67Å; Y646-L715 HydrophobicContact CD1-CD1 4.45Å; Y646-F717 AromaticContact CD1-CD2 3.66Å; Y646-F717 HydrophobicContact CD1-CD2 3.66Å; Y646-F717 HydrophobicContact CD1-CE2 4.26Å; Y646-F717 AromaticContact CD2-CD2 3.92Å; Y646-F717 HydrophobicContact CD2-CD2 3.92Å; Y646-F717 AromaticContact CD2-CE2 3.73Å; Y646-F717 HydrophobicContact CD2-CE2 3.73Å; Y646-F717 AromaticContact CE1-CD2 3.71Å; Y646-F717 HydrophobicContact CE1-CD2 3.71Å; Y646-F717 HydrophobicContact CE1-CE2 4.1Å; Y646-F717 HydrophobicContact CE2-CD2 4Å; Y646-F717 AromaticContact CE2-CE2 3.59Å; Y646-F717 HydrophobicContact CE2-CE2 3.59Å; Y646-F717 AromaticContact CG-CD2 3.76Å; Y646-F717 HydrophobicContact CG-CD2 3.76Å; Y646-F717 HydrophobicContact CG-CE2 4.08Å; Y646-F717 AromaticContact CZ-CD2 3.89Å; Y646-F717 AromaticContact CZ-CE2 3.77Å
647	S	97.4	Very high	97.1	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.9	173.5	165.6	0	0	0	0	109.4	W604 R714 I716	W604-S647 PolarHBondContact NE1-OG 3.24Å; S647-R714 PolarHBondContact OG-NH2 3.44Å; S647-I716 PolarHBondContact N-O 3.13Å; S647-I716 PolarHBondContact O-N 2.9Å
648	I	95.9	Very high	97.1	Very high	10 Å²	10	19.7 Å²	19.7	5%	0.051	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	137.2	174.9	-172.9	174.7	0	0	0	109.7	M584 F591 W604 S605 H650 F713 L715	M584-I648 HydrophobicContact CE-CD1 3.44Å; M584-I648 VanDerWaalsContact CE-CD1 3.44Å; M584-I648 HydrophobicContact CG-CD1 4.46Å; M584-I648 HydrophobicContact SD-CD1 3.83Å; F591-I648 HydrophobicContact CD1-CG2 3.63Å; F591-I648 HydrophobicContact CE1-CB 4.23Å; F591-I648 HydrophobicContact CE1-CG2 3.8Å; W604-I648 WeakPolarHBondContact CA-O 3.24Å; S605-I648 PolarHBondContact N-O 2.8Å; S605-I648 VanDerWaalsContact N-O 3.09Å; S605-I648 WeakPolarHBondContact O-CG2 3.12Å; S605-I648 PolarHBondContact O-N 3.01Å; I648-H650 WeakPolarHBondContact CD1-NE2 3.39Å; I648-F713 HydrophobicContact CD1-CB 4.19Å; I648-F713 HydrophobicContact CD1-CD2 4Å; I648-F713 HydrophobicContact CD1-CG 4.17Å; I648-F713 HydrophobicContact CG1-CB 4.19Å; I648-F713 HydrophobicContact CG1-CD2 4.15Å; I648-F713 HydrophobicContact CG1-CG 4.48Å; I648-L715 HydrophobicContact CB-CD1 4.13Å
649	M	95.9	Very high	97.1	Very high	4 Å²	4	19 Å²	19	2%	0.02	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	128.6	178.2	-168.1	172.4	-77.4	0	0	110.5	W604 T653 V655 V706 Q708 F713 R714	W604-M649 HydrophobicContact CB-CE 4.18Å; W604-M649 HydrophobicContact CD2-CE 3.97Å; W604-M649 HydrophobicContact CE3-CE 4.27Å; W604-M649 HydrophobicContact CG-CE 3.92Å; M649-T653 HydrophobicContact CE-CG2 4.21Å; M649-T653 HydrophobicContact CG-CG2 3.6Å; M649-T653 HydrophobicContact SD-CG2 3.89Å; M649-V655 HydrophobicContact CE-CG2 3.55Å; M649-V706 HydrophobicContact CE-CG1 3.92Å; M649-V706 HydrophobicContact SD-CG1 3.72Å; M649-Q708 HydrophobicContact CG-CB 3.75Å; M649-Q708 HydrophobicContact CG-CG 4.1Å; M649-Q708 HydrophobicContact SD-CB 3.72Å; M649-F713 CarbonylContact O-C 3.46Å; M649-F713 WeakPolarHBondContact O-CA 3.24Å; M649-R714 PolarHBondContact N-O 3.34Å; M649-R714 PolarHBondContact O-N 2.84Å
650	H	95.4	Very high	97	Very high	69 Å²	69	19.3 Å²	19.3	32%	0.319	10%	0.104	S	C	.	.			trans	-94.8	159.9	-174.1	-73.1	-95.2	0	0	0	112.4	D603 I648 T653 Q708	D603-H650 HydrophobicContact CB-CB 4.23Å; D603-H650 PolarHBondContact O-N 3.18Å; I648-H650 WeakPolarHBondContact CD1-NE2 3.39Å; H650-T653 VanDerWaalsContact O-CB 3.27Å; H650-T653 WeakPolarHBondContact O-CB 3.43Å; H650-T653 PolarHBondContact O-N 3.34Å; H650-T653 PolarHBondContact O-OG1 3.06Å; H650-Q708 WeakPolarHBondContact O-CG 3.41Å
651	P	97.1	Very high	97	Very high	57 Å²	57	18.3 Å²	18.3	37%	0.37	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.7	139.7	174.3	-34.9	40	0	0	0	114.8	T653 A710	P651-T653 VanDerWaalsContact C-N 3.31Å; P651-T653 PolarHBondContact O-N 3.01Å; P651-A710 WeakPolarHBondContact CB-O 3.45Å; P651-A710 VanDerWaalsContact CG-O 3.32Å; P651-A710 WeakPolarHBondContact CG-O 3.43Å
652	G	96.1	Very high	97	Very high	37 Å²	37	17.8 Å²	17.8	38%	0.381	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	10.5	178.4	0	0	0	0	0	114.9	K601 Q708	K601-G652 WeakPolarHBondContact CG-O 3.28Å; G652-Q708 PolarHBondContact N-O 3.38Å
653	T	97.2	Very high	97.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	136	-178.6	-53.5	0	0	0	0	112	R599 K601 G602 D603 W604 M649 H650 P651 Q708	R599-T653 HydrophobicContact CG-CG2 4.36Å; K601-T653 WeakPolarHBondContact O-CA 3.45Å; K601-T653 WeakPolarHBondContact O-CG2 3.4Å; G602-T653 WeakPolarHBondContact CA-OG1 3.49Å; D603-T653 PolarHBondContact N-OG1 3.29Å; D603-T653 PolarHBondContact O-OG1 3.42Å; W604-T653 HydrophobicContact CB-CG2 4.34Å; M649-T653 HydrophobicContact CE-CG2 4.21Å; M649-T653 HydrophobicContact CG-CG2 3.6Å; M649-T653 HydrophobicContact SD-CG2 3.89Å; H650-T653 VanDerWaalsContact O-CB 3.27Å; H650-T653 WeakPolarHBondContact O-CB 3.43Å; H650-T653 PolarHBondContact O-N 3.34Å; H650-T653 PolarHBondContact O-OG1 3.06Å; P651-T653 VanDerWaalsContact C-N 3.31Å; P651-T653 PolarHBondContact O-N 3.01Å; T653-Q708 PolarHBondContact N-O 3.27Å; T653-Q708 PolarHBondContact O-N 2.9Å
654	H	97.4	Very high	97.1	Very high	13 Å²	13	16.9 Å²	16.9	6%	0.06	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.6	172.6	177.7	-130.1	0	0	0	109.9	E600 K601 E705 V706 W707	E600-H654 HydrophobicContact CB-CB 4.38Å; E600-H654 PolarHBondContact N-O 2.99Å; E600-H654 IonicContact OE2-CE1 3.13Å; E600-H654 IonicContact OE2-CG 2.79Å; E600-H654 IonicContact OE2-ND1 2.91Å; E600-H654 PolarHBondContact OE2-ND1 2.91Å; K601-H654 HydrophobicContact CG-CB 4.13Å; K601-H654 PolarHBondContact O-N 3.46Å; H654-E705 IonicContact CE1-OE1 3.81Å; H654-E705 IonicContact NE2-OE1 3.82Å; H654-V706 WeakPolarHBondContact CA-O 3.21Å; H654-V706 PolarHBondContact CD2-O 3.34Å; H654-W707 AromaticContact CD2-CD1 3.28Å; H654-W707 AromaticContact CD2-CE2 3.88Å; H654-W707 AromaticContact CD2-CG 3.86Å; H654-W707 AromaticContact CD2-NE1 3.24Å; H654-W707 PolarHBondContact CD2-NE1 3.45Å; H654-W707 AromaticContact NE2-CD1 3.8Å; H654-W707 AromaticContact NE2-CE2 3.71Å; H654-W707 AromaticContact NE2-NE1 3.22Å; H654-W707 PolarHBondContact NE2-NE1 3.46Å
655	V	96.4	Very high	97.1	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.012	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.9	176.5	-172.8	0	0	0	0	108	L598 W604 M649 V706	L598-V655 HydrophobicContact CB-CG1 3.78Å; L598-V655 CarbonylContact O-C 3.45Å; L598-V655 WeakPolarHBondContact O-CA 3.4Å; L598-V655 WeakPolarHBondContact O-CG1 3.42Å; W604-V655 HydrophobicContact CD2-CG2 4.44Å; W604-V655 HydrophobicContact CE3-CG1 4.3Å; W604-V655 HydrophobicContact CE3-CG2 3.55Å; W604-V655 HydrophobicContact CH2-CG1 4.35Å; W604-V655 HydrophobicContact CZ3-CB 4.32Å; W604-V655 HydrophobicContact CZ3-CG1 3.6Å; W604-V655 HydrophobicContact CZ3-CG2 3.68Å; M649-V655 HydrophobicContact CE-CG2 3.55Å; V655-V706 HydrophobicContact CB-CB 4.17Å; V655-V706 HydrophobicContact CG2-CB 4.3Å; V655-V706 PolarHBondContact N-O 2.99Å; V655-V706 PolarHBondContact O-N 3.14Å
656	W	96.1	Very high	97.2	Very high	47 Å²	47	17.3 Å²	17.3	18%	0.178	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	157.2	-177.5	-66.8	115.9	0	0	0	112.7	R516 L598 E600 H658	R516-W656 HydrophobicContact CB-CH2 4.42Å; R516-W656 HydrophobicContact CB-CZ2 4.29Å; R516-W656 HydrophobicContact CG-CD2 3.78Å; R516-W656 HydrophobicContact CG-CE3 4.19Å; R516-W656 HydrophobicContact CG-CG 4.03Å; R516-W656 HydrophobicContact CG-CZ2 4.28Å; R516-W656 WeakPolarHBondContact O-CH2 3.27Å; L598-W656 PolarHBondContact O-N 3.01Å; E600-W656 HydrophobicContact CB-CD2 4.15Å; E600-W656 HydrophobicContact CB-CH2 4.3Å; E600-W656 HydrophobicContact CB-CZ2 3.69Å; E600-W656 HydrophobicContact CG-CH2 3.88Å; E600-W656 HydrophobicContact CG-CZ2 3.51Å; W656-H658 PolarHBondContact O-N 3.27Å; W656-H658 PolarHBondContact O-ND1 3.02Å
657	P	97.1	Very high	97.2	Very high	10 Å²	10	18.5 Å²	18.5	7%	0.065	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	120.7	165.7	-22.2	31	0	0	0	111.3	E703 H704 E705	P657-E703 HydrophobicContact CB-CG 3.88Å; P657-H704 WeakPolarHBondContact CA-O 3.4Å; P657-E705 WeakPolarHBondContact CD-OE1 3.46Å; P657-E705 HydrophobicContact CG-CB 4.48Å; P657-E705 HydrophobicContact CG-CG 4.1Å; P657-E705 WeakPolarHBondContact CG-OE1 3.3Å
658	H	96.6	Very high	97.3	Very high	20 Å²	20	18.5 Å²	18.5	9%	0.093	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	169.9	-179.1	65.1	-71	0	0	0	111.9	L598 W656 E703 H704	L598-H658 HydrophobicContact CD2-CB 3.77Å; W656-H658 PolarHBondContact O-N 3.27Å; W656-H658 PolarHBondContact O-ND1 3.02Å; H658-E703 CarbonylContact O-C 3.6Å; H658-E703 VanDerWaalsContact O-CA 3.32Å; H658-E703 WeakPolarHBondContact O-CA 3.44Å; H658-H704 AromaticContact CD2-NE2 3.88Å; H658-H704 AromaticContact CE1-CD2 3.72Å; H658-H704 AromaticContact CE1-NE2 3.74Å; H658-H704 PolarHBondContact N-O 2.92Å; H658-H704 PolarHBondContact ND1-O 2.62Å; H658-H704 AromaticContact NE2-CD2 3.77Å; H658-H704 AromaticContact NE2-CE1 3.88Å; H658-H704 AromaticContact NE2-NE2 3.29Å; H658-H704 PolarHBondContact NE2-NE2 3.38Å; H658-H704 PolarHBondContact O-N 3.3Å; H658-H704 PolarHBondContact O-ND1 2.94Å
659	T	97.5	Very high	97.4	Very high	16 Å²	16	18.6 Å²	18.6	10%	0.098	11%	0.106	C	C	.	.			trans	-131.5	142	174.5	58.9	0	0	0	0	109.8	F508 R541 S701 E703	F508-T659 WeakPolarHBondContact CE2-OG1 3.3Å; R541-T659 HydrophobicContact CB-CG2 4.05Å; T659-S701 WeakPolarHBondContact CB-O 3.14Å; T659-S701 WeakPolarHBondContact CG2-O 3.1Å; T659-E703 HydrophobicContact CG2-CB 4.34Å
660	G	96.3	Very high	97.5	Very high	6 Å²	6	18.4 Å²	18.4	6%	0.062	11%	0.105	C	C	.	.			trans	-60.8	159.7	166.1	0	0	0	0	0	112.1	S542 T662 D700	S542-G660 VanDerWaalsContact CB-O 3.32Å; S542-G660 WeakPolarHBondContact CB-O 3.49Å; G660-T662 VanDerWaalsContact C-N 3.28Å; G660-T662 PolarHBondContact O-N 2.99Å; G660-D700 WeakPolarHBondContact CA-OD2 3.39Å; G660-D700 PolarHBondContact N-O 2.76Å
661	P	96.8	Very high	97.7	Very high	47 Å²	47	15.1 Å²	15.1	31%	0.305	9%	0.09	S	C	.	.	S	Bend	trans	-73.4	-14.5	-170.7	28.5	-35.6	0	0	0	114.4	L543 Y544 I737	L543-P661 PolarHBondContact N-O 3.23Å; L543-P661 VanDerWaalsContact N-O 3.15Å; Y544-P661 HydrophobicContact CD2-CB 4.06Å; Y544-P661 WeakPolarHBondContact CD2-O 3.44Å; Y544-P661 PolarHBondContact N-O 2.71Å; P661-I737 HydrophobicContact CB-CG2 4.05Å; P661-I737 HydrophobicContact CG-CG2 3.72Å
662	T	98.4	Very high	97.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.072	C	C	.	.			trans	-151	139	-167.7	-173.6	0	0	0	0	112.6	Y544 R641 G660 C664 R665 I737	Y544-T662 WeakPolarHBondContact O-CB 3.44Å; Y544-T662 PolarHBondContact O-OG1 3.03Å; R641-T662 HydrophobicContact CB-CG2 4.16Å; R641-T662 PolarHBondContact NH1-OG1 3.42Å; G660-T662 VanDerWaalsContact C-N 3.28Å; G660-T662 PolarHBondContact O-N 2.99Å; T662-C664 HydrophobicContact CG2-CB 4.4Å; T662-C664 PolarHBondContact O-N 2.79Å; T662-C664 VanDerWaalsContact OG1-CB 3.27Å; T662-C664 WeakPolarHBondContact OG1-CB 3.35Å; T662-C664 PolarHBondContact OG1-N 2.82Å; T662-C664 PolarHBondContact OG1-SG 3.12Å; T662-C664 VanDerWaalsContact OG1-SG 3.39Å; T662-R665 HydrophobicContact CG2-CG 4.41Å; T662-I737 HydrophobicContact CG2-CD1 4.15Å
663	N	98.6	Very high	97.9	Very high	10 Å²	10	12 Å²	12	5%	0.053	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	2.3	168.7	76	-19.7	0	0	0	113.8	N545 V546 R665	N545-N663 WeakPolarHBondContact CA-OD1 3.33Å; N545-N663 WeakPolarHBondContact CB-OD1 3.5Å; N545-N663 PolarHBondContact OD1-N 3.24Å; V546-N663 PolarHBondContact N-OD1 3.11Å; V546-N663 PolarHBondContact O-ND2 2.92Å; N663-R665 PolarHBondContact O-N 3.14Å
664	C	98.6	Very high	97.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	5.1	-174.1	-65.4	0	0	0	0	114.2	R641 T662 H723 L726	R641-C664 PolarHBondContact NH1-SG 3.05Å; T662-C664 HydrophobicContact CG2-CB 4.4Å; T662-C664 PolarHBondContact O-N 2.79Å; T662-C664 VanDerWaalsContact OG1-CB 3.27Å; T662-C664 WeakPolarHBondContact OG1-CB 3.35Å; T662-C664 PolarHBondContact OG1-N 2.82Å; T662-C664 PolarHBondContact OG1-SG 3.12Å; T662-C664 VanDerWaalsContact OG1-SG 3.39Å; C664-H723 PolarHBondContact O-N 3.32Å; C664-L726 HydrophobicContact CB-CD1 3.84Å; C664-L726 VanDerWaalsContact O-CD1 3.28Å; C664-L726 WeakPolarHBondContact O-CD1 3.49Å
665	R	98.6	Very high	97.9	Very high	14 Å²	14	13.2 Å²	13.2	5%	0.053	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	156.4	178.6	74.6	-169.8	-175.2	-166	4.3	111.1	R641 T662 N663 D700 D720 V721	R641-R665 WeakPolarHBondContact O-CD 3.42Å; R641-R665 PolarHBondContact O-NH1 2.91Å; T662-R665 HydrophobicContact CG2-CG 4.41Å; N663-R665 PolarHBondContact O-N 3.14Å; R665-D700 WeakPolarHBondContact CG-OD1 3.42Å; R665-D700 IonicContact CZ-OD1 3.81Å; R665-D700 IonicContact CZ-OD2 3.38Å; R665-D700 IonicContact NE-OD1 3.42Å; R665-D700 PolarHBondContact NE-OD1 3.11Å; R665-D700 IonicContact NE-OD2 3.57Å; R665-D700 PolarHBondContact NE-OD2 2.62Å; R665-D700 IonicContact NH2-OD1 3.8Å; R665-D700 IonicContact NH2-OD2 2.68Å; R665-D700 PolarHBondContact NH2-OD2 3.39Å; R665-D720 IonicContact CZ-OD2 2.66Å; R665-D720 IonicContact NE-OD2 2.67Å; R665-D720 IonicContact NH1-OD2 3.84Å; R665-V721 CarbonylContact C-O 3.56Å; R665-V721 WeakPolarHBondContact CA-O 3.33Å; R665-V721 WeakPolarHBondContact CB-O 3.37Å
666	L	98.9	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142	162.1	-60.6	178.1	0	0	0	108.4	W555 T560 I697 D699 V721 P724	W555-L666 HydrophobicContact CD2-CD1 3.64Å; W555-L666 HydrophobicContact CD2-CD2 4.3Å; W555-L666 HydrophobicContact CE3-CD1 3.87Å; W555-L666 HydrophobicContact CG-CD1 4.04Å; W555-L666 HydrophobicContact CG-CD2 4.43Å; W555-L666 HydrophobicContact CH2-CD1 4.3Å; W555-L666 HydrophobicContact CZ2-CD1 4.12Å; W555-L666 HydrophobicContact CZ2-CD2 4.07Å; W555-L666 HydrophobicContact CZ3-CD1 4.19Å; T560-L666 HydrophobicContact CG2-CD1 3.67Å; L666-I697 HydrophobicContact CB-CG2 4.26Å; L666-D699 HydrophobicContact CD2-CB 3.7Å; L666-V721 HydrophobicContact CB-CG2 3.95Å; L666-V721 PolarHBondContact N-O 2.86Å; L666-V721 WeakPolarHBondContact O-CG2 3.47Å; L666-V721 PolarHBondContact O-N 3.13Å; L666-P724 HydrophobicContact CD1-CG 4.34Å
667	R	98.9	Very high	97.6	Very high	25 Å²	25	28.8 Å²	28.8	9%	0.094	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.1	-175	-179.7	156.9	-77.5	178.3	-8.5	110.5	I697 F698 D700 I718 D720	R667-I697 WeakPolarHBondContact O-CA 3.4Å; R667-F698 HydrophobicContact CB-CD1 4.25Å; R667-F698 HydrophobicContact CB-CE1 3.85Å; R667-F698 HydrophobicContact CB-CZ 4.02Å; R667-F698 HydrophobicContact CG-CD1 4.4Å; R667-F698 HydrophobicContact CG-CE1 3.58Å; R667-F698 HydrophobicContact CG-CZ 3.75Å; R667-F698 PolarHBondContact N-O 2.79Å; R667-F698 WeakPolarHBondContact O-CD1 3.36Å; R667-F698 PolarHBondContact O-N 2.69Å; R667-F698 VanDerWaalsContact O-N 3.07Å; R667-D700 HydrophobicContact CB-CB 4.09Å; R667-D700 IonicContact CZ-OD2 3.48Å; R667-D700 IonicContact NH1-OD2 3.58Å; R667-D700 PolarHBondContact NH1-OD2 2.94Å; R667-I718 HydrophobicContact CG-CG2 3.86Å; R667-D720 WeakPolarHBondContact CG-OD1 3.23Å; R667-D720 IonicContact CZ-OD1 2.81Å; R667-D720 IonicContact CZ-OD2 2.66Å; R667-D720 IonicContact NE-OD1 2.85Å; R667-D720 PolarHBondContact NE-OD1 3.16Å; R667-D720 IonicContact NE-OD2 2.68Å; R667-D720 IonicContact NH2-OD1 3.99Å; R667-D720 PolarHBondContact NH2-OD1 2.98Å; R667-D720 IonicContact NH2-OD2 3.77Å; R667-D720 PolarHBondContact NH2-OD2 3.01Å
668	M	98.9	Very high	97.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	133	170.8	-54.5	-168.1	-177.3	0	0	110.1	Y562 L565 V566 L569 V695 L696 I697 I718 V719 V721	Y562-M668 HydrophobicContact CD2-CE 4.21Å; Y562-M668 HydrophobicContact CG-CE 4.47Å; L565-M668 HydrophobicContact CD2-CE 4.02Å; L565-M668 HydrophobicContact CD2-SD 4.1Å; L565-M668 HydrophobicContact CG-SD 4.33Å; V566-M668 HydrophobicContact CG2-CE 3.97Å; V566-M668 HydrophobicContact CG2-SD 3.77Å; L569-M668 HydrophobicContact CD1-SD 4.32Å; M668-V695 HydrophobicContact CB-CG1 3.83Å; M668-V695 HydrophobicContact CG-CG1 4.28Å; M668-V695 HydrophobicContact SD-CG1 4.3Å; M668-L696 CarbonylContact C-O 3.56Å; M668-L696 WeakPolarHBondContact CA-O 3.41Å; M668-I697 HydrophobicContact CE-CD1 4.21Å; M668-I697 HydrophobicContact CG-CD1 4.44Å; M668-I697 HydrophobicContact CG-CG1 4.1Å; M668-I697 HydrophobicContact CG-CG2 4.16Å; M668-I718 WeakPolarHBondContact O-CA 3.4Å; M668-V719 HydrophobicContact CB-CB 4.24Å; M668-V719 VanDerWaalsContact CB-O 3.3Å; M668-V719 WeakPolarHBondContact CB-O 3.36Å; M668-V719 PolarHBondContact N-O 3.21Å; M668-V719 PolarHBondContact O-N 2.67Å; M668-V721 HydrophobicContact CE-CG1 3.84Å; M668-V721 HydrophobicContact CE-CG2 3.95Å
669	H	98.9	Very high	97.4	Very high	12 Å²	12	28.9 Å²	28.9	6%	0.056	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	105.5	170.8	-74.7	172.9	0	0	0	109.9	W690 V695 L696 F698 I716	H669-W690 AromaticContact CG-NE1 3.68Å; H669-W690 AromaticContact ND1-CE2 3.91Å; H669-W690 AromaticContact ND1-CZ2 3.85Å; H669-W690 AromaticContact ND1-NE1 3.35Å; H669-W690 PolarHBondContact ND1-NE1 3.04Å; H669-V695 WeakPolarHBondContact O-CA 3.37Å; H669-L696 HydrophobicContact CB-CB 4.43Å; H669-L696 PolarHBondContact N-O 3.45Å; H669-L696 PolarHBondContact O-N 3.06Å; H669-F698 AromaticContact CE1-CE1 3.34Å; H669-F698 WeakPolarHBondContact CE1-CE1 3.15Å; H669-F698 AromaticContact CE1-CZ 3.56Å; H669-F698 AromaticContact CG-CE1 3.93Å; H669-F698 AromaticContact ND1-CE1 3.47Å; H669-F698 WeakPolarHBondContact ND1-CE1 3.46Å; H669-F698 AromaticContact NE2-CE1 3.72Å; H669-F698 AromaticContact NE2-CZ 3.95Å; H669-I716 HydrophobicContact CB-CD1 4.35Å
670	L	98.9	Very high	97.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	124.5	168.5	175	70.4	0	0	0	109.7	L569 W573 I576 L672 K694 V695 I716 F717	L569-L670 HydrophobicContact CB-CD1 4.49Å; L569-L670 HydrophobicContact CB-CD2 4.18Å; L569-L670 HydrophobicContact CD2-CD2 4.37Å; W573-L670 HydrophobicContact CB-CD1 4.07Å; W573-L670 HydrophobicContact CB-CD2 4.09Å; W573-L670 HydrophobicContact CB-CG 4.44Å; I576-L670 HydrophobicContact CD1-CD2 3.8Å; L670-L672 HydrophobicContact CD2-CD2 3.76Å; L670-L672 HydrophobicContact CG-CD2 4.01Å; L670-K694 WeakPolarHBondContact CA-O 3.43Å; L670-V695 HydrophobicContact CB-CG2 4.16Å; L670-V695 HydrophobicContact CD1-CG2 3.8Å; L670-I716 CarbonylContact O-C 3.58Å; L670-I716 WeakPolarHBondContact O-CA 3.38Å; L670-F717 HydrophobicContact CB-CB 4.22Å; L670-F717 HydrophobicContact CD2-CB 4.45Å; L670-F717 PolarHBondContact N-O 2.88Å; L670-F717 PolarHBondContact O-N 2.9Å
671	G	98.8	Very high	97.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	128.7	173.1	0	0	0	0	0	112.2	E691 G693 K694	G671-E691 WeakPolarHBondContact CA-O 3.33Å; G671-G693 PolarHBondContact O-N 2.84Å; G671-K694 PolarHBondContact N-O 2.63Å
672	L	98.6	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-49.4	-178.2	-60.9	-178.3	0	0	0	113.1	I576 R577 Y646 L670 L715 F717	I576-L672 HydrophobicContact CB-CD2 4.22Å; I576-L672 HydrophobicContact CG2-CD1 4.28Å; I576-L672 HydrophobicContact CG2-CD2 3.98Å; R577-L672 HydrophobicContact CB-CB 3.98Å; R577-L672 HydrophobicContact CB-CD2 4.02Å; R577-L672 HydrophobicContact CB-CG 4.43Å; R577-L672 WeakPolarHBondContact CD-O 3.33Å; R577-L672 HydrophobicContact CG-CB 4.04Å; R577-L672 WeakPolarHBondContact CG-O 3.2Å; Y646-L672 HydrophobicContact CD1-CD1 3.63Å; Y646-L672 HydrophobicContact CE1-CD1 3.67Å; L670-L672 HydrophobicContact CD2-CD2 3.76Å; L670-L672 HydrophobicContact CG-CD2 4.01Å; L672-L715 HydrophobicContact CB-CB 4.35Å; L672-L715 HydrophobicContact CB-CD2 4.05Å; L672-L715 HydrophobicContact CB-CG 4.02Å; L672-L715 WeakPolarHBondContact CB-O 3.46Å; L672-L715 HydrophobicContact CD1-CD2 3.92Å; L672-L715 HydrophobicContact CD1-CG 3.88Å; L672-L715 PolarHBondContact N-O 2.75Å; L672-F717 HydrophobicContact CD1-CB 3.81Å; L672-F717 HydrophobicContact CD2-CB 4.31Å; L672-F717 HydrophobicContact CG-CB 4.12Å
673	V	98.3	Very high	97.6	Very high	29 Å²	29	30.3 Å²	30.3	18%	0.176	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	108.6	170.2	-179.3	0	0	0	0	107	R577 L581 E692 F713 R714 L715	R577-V673 HydrophobicContact CG-CG2 3.91Å; L581-V673 HydrophobicContact CD1-CG2 4.29Å; L581-V673 HydrophobicContact CD2-CG2 4.28Å; V673-E692 WeakPolarHBondContact CA-OE1 3.41Å; V673-F713 HydrophobicContact CB-CE2 3.94Å; V673-F713 HydrophobicContact CG1-CE2 3.87Å; V673-F713 HydrophobicContact CG1-CZ 4.12Å; V673-F713 HydrophobicContact CG2-CE2 4.23Å; V673-R714 WeakPolarHBondContact O-CA 3.39Å; V673-L715 HydrophobicContact CB-CB 4.04Å; V673-L715 HydrophobicContact CG2-CB 4.35Å; V673-L715 HydrophobicContact CG2-CD2 4.45Å; V673-L715 PolarHBondContact N-O 2.6Å; V673-L715 PolarHBondContact O-N 3.05Å
674	I	98.2	Very high	97.6	Very high	23 Å²	23	30 Å²	30	12%	0.118	15%	0.145	C	C	.	.			trans	-121.5	112.8	-172.5	-52.3	-59.9	0	0	0	110.2	W690 E692 R714 I716	I674-W690 HydrophobicContact CD1-CB 3.61Å; I674-W690 HydrophobicContact CD1-CG 4.23Å; I674-W690 HydrophobicContact CG1-CB 3.94Å; I674-W690 HydrophobicContact CG2-CB 4.24Å; I674-E692 HydrophobicContact CB-CG 3.99Å; I674-E692 HydrophobicContact CG1-CG 3.94Å; I674-E692 PolarHBondContact N-OE1 3.09Å; I674-R714 HydrophobicContact CD1-CG 3.73Å; I674-I716 HydrophobicContact CD1-CG2 3.84Å
675	P	96.7	Very high	97.5	Very high	15 Å²	15	35.9 Å²	35.9	10%	0.097	18%	0.177	C	C	.	.			trans	-54.2	138.3	167	-24.6	33.2	0	0	0	111.7	E677 A710 F713 R714	P675-E677 PolarHBondContact O-N 3.34Å; P675-E677 VanDerWaalsContact O-N 3.1Å; P675-A710 HydrophobicContact CB-CB 3.46Å; P675-A710 VanDerWaalsContact CB-CB 3.46Å; P675-A710 HydrophobicContact CG-CB 3.84Å; P675-F713 WeakPolarHBondContact CG-O 3.31Å; P675-R714 HydrophobicContact CG-CB 4.45Å
676	K	92.6	Very high	97.5	Very high	212 Å²	212	38.8 Å²	38.8	92%	0.922	19%	0.191	S	C	*	.	S	Bend	trans	-56.3	-31.2	-173.2	-65.4	-175.5	178.2	-177.7	0	114.5
677	E	93.3	Very high	97.4	Very high	163 Å²	163	42.7 Å²	42.7	76%	0.762	22%	0.215	S	C	*	.	S	Bend	trans	-142.1	162	-176	-67.1	175.3	-149.7	0	0	109	P675 C679 A710	P675-E677 PolarHBondContact O-N 3.34Å; P675-E677 VanDerWaalsContact O-N 3.1Å; E677-C679 PolarHBondContact O-N 3.41Å; E677-A710 WeakPolarHBondContact O-CB 3.42Å
678	G	92.8	Very high	97.4	Very high	28 Å²	28	45.8 Å²	45.8	29%	0.289	23%	0.226	S	C	.	.	S	Bend	trans	88.5	-20.1	176.3	0	0	0	0	0	116.1	D709	G678-D709 PolarHBondContact O-N 2.93Å
679	C	96.9	Very high	97.4	Very high	5 Å²	5	49 Å²	49	3%	0.034	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.8	173.8	-69.2	0	0	0	0	112.4	E677 S689 W690 Q708	E677-C679 PolarHBondContact O-N 3.41Å; C679-S689 WeakPolarHBondContact O-CB 3.44Å; C679-S689 PolarHBondContact O-OG 3.18Å; C679-W690 HydrophobicContact CB-CE3 4.07Å; C679-W690 HydrophobicContact CB-CZ3 4.21Å; C679-Q708 VanDerWaalsContact SG-CD 3.53Å; C679-Q708 PolarHBondContact SG-OE1 3.49Å
680	K	98.1	Very high	97.4	Very high	66 Å²	66	48.9 Å²	48.9	29%	0.287	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152.5	175	73	-151.5	-177.3	-133.8	0	113.3	T687 W707 D709	K680-T687 HydrophobicContact CB-CG2 4.09Å; K680-T687 HydrophobicContact CG-CG2 4.31Å; K680-W707 HydrophobicContact CD-CB 4.41Å; K680-W707 HydrophobicContact CD-CD2 4.47Å; K680-W707 HydrophobicContact CD-CE3 4.19Å; K680-W707 VanDerWaalsContact CE-CD2 3.44Å; K680-W707 HydrophobicContact CG-CB 4.11Å; K680-W707 HydrophobicContact CG-CD2 4.17Å; K680-W707 HydrophobicContact CG-CE3 3.54Å; K680-W707 HydrophobicContact CG-CG 4.44Å; K680-W707 HydrophobicContact CG-CZ3 4.27Å; K680-W707 PolarHBondContact N-O 3.01Å; K680-W707 PolarHBondContact O-N 3.05Å; K680-W707 VanDerWaalsContact O-N 3.1Å; K680-D709 IonicContact NZ-OD2 2.71Å; K680-D709 PolarHBondContact NZ-OD2 3.26Å
681	I	98.6	Very high	97.3	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.9	173.1	172.2	165.1	0	0	0	109.5	W554 T687 R688 W690 L696 F698 E705 V706	W554-I681 HydrophobicContact CH2-CG1 4.38Å; W554-I681 HydrophobicContact CH2-CG2 3.93Å; I681-T687 CarbonylContact O-C 3.56Å; I681-T687 WeakPolarHBondContact O-CA 2.9Å; I681-R688 WeakPolarHBondContact CG2-O 3.46Å; I681-R688 PolarHBondContact N-O 3.2Å; I681-R688 PolarHBondContact O-N 3.15Å; I681-W690 HydrophobicContact CB-CH2 3.56Å; I681-W690 HydrophobicContact CB-CZ2 3.77Å; I681-W690 HydrophobicContact CB-CZ3 4.36Å; I681-W690 HydrophobicContact CD1-CZ2 4.31Å; I681-W690 HydrophobicContact CG2-CD2 4.5Å; I681-W690 HydrophobicContact CG2-CH2 3.62Å; I681-W690 HydrophobicContact CG2-CZ2 3.51Å; I681-W690 HydrophobicContact CG2-CZ3 4.18Å; I681-L696 HydrophobicContact CG2-CD1 4.26Å; I681-F698 HydrophobicContact CD1-CE1 4.13Å; I681-F698 HydrophobicContact CD1-CE2 4.17Å; I681-F698 HydrophobicContact CD1-CZ 3.87Å; I681-E705 WeakPolarHBondContact CA-O 3.45Å; I681-V706 HydrophobicContact CB-CG2 4.19Å; I681-V706 HydrophobicContact CD1-CG2 4.08Å; I681-V706 HydrophobicContact CG1-CG2 4.03Å
682	R	98.8	Very high	97.3	Very high	31 Å²	31	59.2 Å²	59.2	12%	0.117	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	139.6	166.4	180	176.7	67.7	86	-6	109	A684 E686 E703 H704 E705 W707	R682-A684 WeakPolarHBondContact CD-O 3.48Å; R682-A684 VanDerWaalsContact CG-O 3.32Å; R682-A684 WeakPolarHBondContact CG-O 3.31Å; R682-A684 PolarHBondContact NH1-O 2.67Å; R682-E686 CarbonylContact C-O 3.56Å; R682-E686 WeakPolarHBondContact CA-O 3.41Å; R682-E703 IonicContact CZ-OE1 2.94Å; R682-E703 VanDerWaalsContact CZ-OE1 3.23Å; R682-E703 IonicContact NH1-OE1 2.63Å; R682-E703 PolarHBondContact NH1-OE1 3.34Å; R682-E703 IonicContact NH2-OE1 3.78Å; R682-E703 PolarHBondContact NH2-OE1 2.97Å; R682-H704 WeakPolarHBondContact O-CA 3.43Å; R682-H704 WeakPolarHBondContact O-CB 3.32Å; R682-E705 HydrophobicContact CB-CB 4.37Å; R682-E705 IonicContact CZ-OE2 3.55Å; R682-E705 PolarHBondContact N-O 2.89Å; R682-E705 IonicContact NE-OE2 2.73Å; R682-E705 PolarHBondContact NE-OE2 3.41Å; R682-E705 IonicContact NH2-OE2 3.55Å; R682-E705 PolarHBondContact NH2-OE2 2.81Å; R682-E705 PolarHBondContact O-N 3.04Å; R682-E705 VanDerWaalsContact O-N 3.08Å; R682-W707 HydrophobicContact CB-CH2 3.98Å; R682-W707 HydrophobicContact CB-CZ3 3.78Å
683	C	98.7	Very high	97.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.4	163.2	-172.7	0	0	0	0	108.3	P553 W554 N685 E686 F698 E703 H704	P553-C683 HydrophobicContact CB-CB 4.3Å; P553-C683 VanDerWaalsContact CB-SG 3.57Å; W554-C683 HydrophobicContact CD2-CB 4.45Å; W554-C683 HydrophobicContact CH2-CB 4.37Å; W554-C683 HydrophobicContact CZ2-CB 3.62Å; C683-N685 PolarHBondContact O-N 3.24Å; C683-E686 PolarHBondContact N-O 2.85Å; C683-E686 PolarHBondContact O-N 3.44Å; C683-E686 VanDerWaalsContact O-N 3.08Å; C683-F698 HydrophobicContact CB-CD2 4.47Å; C683-E703 CarbonylContact C-O 3.54Å; C683-E703 WeakPolarHBondContact CA-O 2.84Å; C683-H704 HydrophobicContact CB-CB 4.34Å
684	A	97.6	Very high	97.3	Very high	3 Å²	3	62.6 Å²	62.6	3%	0.025	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	-115.4	-163.5	0	0	0	0	0	112.1	W539 P553 R682 F702 E703	W539-A684 HydrophobicContact CB-CB 4.36Å; W539-A684 HydrophobicContact CD2-CB 4.3Å; W539-A684 HydrophobicContact CE3-CB 4.46Å; W539-A684 HydrophobicContact CG-CB 4.26Å; P553-A684 HydrophobicContact CB-CB 3.94Å; P553-A684 HydrophobicContact CG-CB 4.2Å; R682-A684 WeakPolarHBondContact CD-O 3.48Å; R682-A684 VanDerWaalsContact CG-O 3.32Å; R682-A684 WeakPolarHBondContact CG-O 3.31Å; R682-A684 PolarHBondContact NH1-O 2.67Å; A684-F702 HydrophobicContact CB-CD1 4.19Å; A684-E703 PolarHBondContact N-O 2.82Å
685	N	96.3	Very high	97.4	Very high	125 Å²	125	62.2 Å²	62.2	67%	0.668	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-13.4	-179.9	62	-48	0	0	0	114.3	C683	C683-N685 PolarHBondContact O-N 3.24Å
686	E	98.3	Very high	97.5	Very high	75 Å²	75	63 Å²	63	35%	0.35	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.1	-175.1	-85	-172.7	-113	0	0	111.9	W554 R682 C683 R688	W554-E686 VanDerWaalsContact CD1-CD 3.5Å; R682-E686 CarbonylContact C-O 3.56Å; R682-E686 WeakPolarHBondContact CA-O 3.41Å; C683-E686 PolarHBondContact N-O 2.85Å; C683-E686 PolarHBondContact O-N 3.44Å; C683-E686 VanDerWaalsContact O-N 3.08Å; E686-R688 IonicContact OE1-NH2 2.73Å; E686-R688 IonicContact OE2-CZ 3.27Å; E686-R688 VanDerWaalsContact OE2-CZ 3.3Å; E686-R688 IonicContact OE2-NE 3.72Å; E686-R688 PolarHBondContact OE2-NE 3.03Å; E686-R688 VanDerWaalsContact OE2-NE 3.11Å; E686-R688 IonicContact OE2-NH2 2.76Å; E686-R688 PolarHBondContact OE2-NH2 3.13Å
687	T	98.6	Very high	97.8	Very high	81 Å²	81	53 Å²	53	50%	0.497	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.2	174.4	-55.9	0	0	0	0	110.5	K680 I681	K680-T687 HydrophobicContact CB-CG2 4.09Å; K680-T687 HydrophobicContact CG-CG2 4.31Å; I681-T687 CarbonylContact O-C 3.56Å; I681-T687 WeakPolarHBondContact O-CA 2.9Å
688	R	98.4	Very high	98	Very high	90 Å²	90	45.3 Å²	45.3	34%	0.34	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	162.2	-179.2	-57.7	-172.4	-176.7	-171.4	1.1	110.7	W554 I681 E686 L696	W554-R688 HydrophobicContact CD2-CG 4.42Å; W554-R688 VanDerWaalsContact CG-CZ 3.4Å; W554-R688 HydrophobicContact CH2-CB 3.97Å; W554-R688 HydrophobicContact CH2-CG 4.16Å; W554-R688 HydrophobicContact CZ2-CB 4.02Å; W554-R688 HydrophobicContact CZ2-CG 3.82Å; I681-R688 WeakPolarHBondContact CG2-O 3.46Å; I681-R688 PolarHBondContact N-O 3.2Å; I681-R688 PolarHBondContact O-N 3.15Å; E686-R688 IonicContact OE1-NH2 2.73Å; E686-R688 IonicContact OE2-CZ 3.27Å; E686-R688 VanDerWaalsContact OE2-CZ 3.3Å; E686-R688 IonicContact OE2-NE 3.72Å; E686-R688 PolarHBondContact OE2-NE 3.03Å; E686-R688 VanDerWaalsContact OE2-NE 3.11Å; E686-R688 IonicContact OE2-NH2 2.76Å; E686-R688 PolarHBondContact OE2-NH2 3.13Å; R688-L696 HydrophobicContact CB-CD1 4.48Å
689	S	97.9	Very high	98.3	Very high	70 Å²	70	44 Å²	44	49%	0.49	22%	0.219	S	C	.	.			trans	-118.6	156.9	173.3	-69.2	0	0	0	0	110.1	C679	C679-S689 WeakPolarHBondContact O-CB 3.44Å; C679-S689 PolarHBondContact O-OG 3.18Å
690	W	98.5	Very high	98.4	Very high	9 Å²	9	43.8 Å²	43.8	3%	0.034	22%	0.218	C	C	.	.			trans	-81.5	157.7	175.4	-60.2	-93	0	0	0	111.3	H669 I674 C679 I681 L696 V706 R714 I716	H669-W690 AromaticContact CG-NE1 3.68Å; H669-W690 AromaticContact ND1-CE2 3.91Å; H669-W690 AromaticContact ND1-CZ2 3.85Å; H669-W690 AromaticContact ND1-NE1 3.35Å; H669-W690 PolarHBondContact ND1-NE1 3.04Å; I674-W690 HydrophobicContact CD1-CB 3.61Å; I674-W690 HydrophobicContact CD1-CG 4.23Å; I674-W690 HydrophobicContact CG1-CB 3.94Å; I674-W690 HydrophobicContact CG2-CB 4.24Å; C679-W690 HydrophobicContact CB-CE3 4.07Å; C679-W690 HydrophobicContact CB-CZ3 4.21Å; I681-W690 HydrophobicContact CB-CH2 3.56Å; I681-W690 HydrophobicContact CB-CZ2 3.77Å; I681-W690 HydrophobicContact CB-CZ3 4.36Å; I681-W690 HydrophobicContact CD1-CZ2 4.31Å; I681-W690 HydrophobicContact CG2-CD2 4.5Å; I681-W690 HydrophobicContact CG2-CH2 3.62Å; I681-W690 HydrophobicContact CG2-CZ2 3.51Å; I681-W690 HydrophobicContact CG2-CZ3 4.18Å; W690-L696 HydrophobicContact CG-CD1 4.15Å; W690-V706 HydrophobicContact CH2-CG1 3.96Å; W690-R714 VanDerWaalsContact CZ2-NH1 3.3Å; W690-I716 HydrophobicContact CD2-CG2 4.39Å; W690-I716 HydrophobicContact CG-CG2 4.19Å; W690-I716 HydrophobicContact CZ2-CD1 4.44Å
691	E	98.2	Very high	98.4	Very high	133 Å²	133	40.6 Å²	40.6	62%	0.621	20%	0.204	S	C	*	.			trans	-126.6	147.3	168.3	-69.1	172.6	-154	0	0	109.1	G671 G693 K694	G671-E691 WeakPolarHBondContact CA-O 3.33Å; E691-G693 PolarHBondContact O-N 3.21Å; E691-K694 HydrophobicContact CB-CB 3.9Å; E691-K694 HydrophobicContact CB-CG 3.89Å; E691-K694 PolarHBondContact O-N 2.95Å
692	E	98.8	Very high	98.4	Very high	84 Å²	84	41.3 Å²	41.3	39%	0.393	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-65.9	128.9	178.3	-73.3	-169.1	-176.6	0	0	111.8	W573 V673 I674 K694	W573-E692 HydrophobicContact CH2-CB 3.8Å; W573-E692 WeakPolarHBondContact CH2-OE2 3.21Å; W573-E692 HydrophobicContact CZ2-CB 4.5Å; W573-E692 HydrophobicContact CZ3-CB 3.86Å; W573-E692 HydrophobicContact CZ3-CG 4.41Å; V673-E692 WeakPolarHBondContact CA-OE1 3.41Å; I674-E692 HydrophobicContact CB-CG 3.99Å; I674-E692 HydrophobicContact CG1-CG 3.94Å; I674-E692 PolarHBondContact N-OE1 3.09Å; E692-K694 VanDerWaalsContact C-N 3.28Å; E692-K694 PolarHBondContact O-N 3.18Å
693	G	98.5	Very high	98.4	Very high	5 Å²	5	39.8 Å²	39.8	5%	0.052	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	12.6	-176.4	0	0	0	0	0	115.2	E570 W573 G671 E691	E570-G693 VanDerWaalsContact CG-O 3.31Å; E570-G693 WeakPolarHBondContact CG-O 3.29Å; W573-G693 VanDerWaalsContact CD2-CA 3.43Å; G671-G693 PolarHBondContact O-N 2.84Å; E691-G693 PolarHBondContact O-N 3.21Å
694	K	98.7	Very high	98.4	Very high	95 Å²	95	40.1 Å²	40.1	41%	0.413	20%	0.203	S	C	.	.			trans	-116.8	146.4	177.5	-66.1	-57.6	-175.8	-179.9	0	113.7	E570 L670 G671 E691 E692	E570-K694 WeakPolarHBondContact OE1-CA 3.05Å; E570-K694 WeakPolarHBondContact OE1-CD 3.41Å; E570-K694 IonicContact OE1-NZ 2.57Å; E570-K694 WeakPolarHBondContact OE2-CD 3.37Å; E570-K694 IonicContact OE2-NZ 3.97Å; E570-K694 PolarHBondContact OE2-NZ 3.28Å; L670-K694 WeakPolarHBondContact CA-O 3.43Å; G671-K694 PolarHBondContact N-O 2.63Å; E691-K694 HydrophobicContact CB-CB 3.9Å; E691-K694 HydrophobicContact CB-CG 3.89Å; E691-K694 PolarHBondContact O-N 2.95Å; E692-K694 VanDerWaalsContact C-N 3.28Å; E692-K694 PolarHBondContact O-N 3.18Å
695	V	98.8	Very high	98.4	Very high	16 Å²	16	41.4 Å²	41.4	10%	0.097	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.5	179.6	-179.8	0	0	0	0	110.9	V566 L569 E570 M668 H669 L670 I697	V566-V695 HydrophobicContact CG1-CB 4.02Å; V566-V695 HydrophobicContact CG1-CG2 4.1Å; V566-V695 HydrophobicContact CG2-CG1 4.4Å; L569-V695 HydrophobicContact CB-CG2 4.12Å; L569-V695 HydrophobicContact CD1-CG2 4.42Å; E570-V695 HydrophobicContact CG-CG2 3.93Å; E570-V695 PolarHBondContact OE1-N 2.86Å; E570-V695 VanDerWaalsContact OE1-N 3.14Å; M668-V695 HydrophobicContact CB-CG1 3.83Å; M668-V695 HydrophobicContact CG-CG1 4.28Å; M668-V695 HydrophobicContact SD-CG1 4.3Å; H669-V695 WeakPolarHBondContact O-CA 3.37Å; L670-V695 HydrophobicContact CB-CG2 4.16Å; L670-V695 HydrophobicContact CD1-CG2 3.8Å; V695-I697 HydrophobicContact CG1-CG1 3.83Å
696	L	98.7	Very high	98.5	Very high	30 Å²	30	36 Å²	36	16%	0.157	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	145.5	157.4	-65.3	-179	0	0	0	109.3	W554 M668 H669 I681 R688 W690	W554-L696 HydrophobicContact CH2-CD1 4.47Å; W554-L696 HydrophobicContact CZ3-CB 4.22Å; W554-L696 HydrophobicContact CZ3-CD1 4.25Å; M668-L696 CarbonylContact C-O 3.56Å; M668-L696 WeakPolarHBondContact CA-O 3.41Å; H669-L696 HydrophobicContact CB-CB 4.43Å; H669-L696 PolarHBondContact N-O 3.45Å; H669-L696 PolarHBondContact O-N 3.06Å; I681-L696 HydrophobicContact CG2-CD1 4.26Å; R688-L696 HydrophobicContact CB-CD1 4.48Å; W690-L696 HydrophobicContact CG-CD1 4.15Å
697	I	98.9	Very high	98.5	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.1	171.9	-42.3	175.8	0	0	0	109.2	W555 P557 T560 V566 L666 R667 M668 V695	W555-I697 HydrophobicContact CB-CB 4.06Å; W555-I697 HydrophobicContact CB-CG2 3.99Å; W555-I697 PolarHBondContact N-O 2.87Å; P557-I697 HydrophobicContact CB-CD1 4.42Å; P557-I697 HydrophobicContact CG-CD1 4.09Å; T560-I697 HydrophobicContact CG2-CD1 4.05Å; T560-I697 HydrophobicContact CG2-CG2 4.19Å; V566-I697 HydrophobicContact CG2-CD1 4.11Å; L666-I697 HydrophobicContact CB-CG2 4.26Å; R667-I697 WeakPolarHBondContact O-CA 3.4Å; M668-I697 HydrophobicContact CE-CD1 4.21Å; M668-I697 HydrophobicContact CG-CD1 4.44Å; M668-I697 HydrophobicContact CG-CG1 4.1Å; M668-I697 HydrophobicContact CG-CG2 4.16Å; V695-I697 HydrophobicContact CG1-CG1 3.83Å
698	F	98.9	Very high	98.5	Very high	1 Å²	1	31 Å²	31	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	158	176.2	68.3	-71.6	0	0	0	111.1	P553 W554 R667 H669 I681 C683 D700 H704	P553-F698 CarbonylContact O-C 3.6Å; P553-F698 WeakPolarHBondContact O-CA 3.4Å; P553-F698 WeakPolarHBondContact O-CB 3.08Å; W554-F698 HydrophobicContact CD2-CB 4.28Å; W554-F698 HydrophobicContact CE3-CB 3.75Å; W554-F698 HydrophobicContact CH2-CB 4.47Å; W554-F698 HydrophobicContact CZ3-CB 3.85Å; W554-F698 HydrophobicContact CZ3-CD1 4.39Å; W554-F698 HydrophobicContact CZ3-CG 4.36Å; R667-F698 HydrophobicContact CB-CD1 4.25Å; R667-F698 HydrophobicContact CB-CE1 3.85Å; R667-F698 HydrophobicContact CB-CZ 4.02Å; R667-F698 HydrophobicContact CG-CD1 4.4Å; R667-F698 HydrophobicContact CG-CE1 3.58Å; R667-F698 HydrophobicContact CG-CZ 3.75Å; R667-F698 PolarHBondContact N-O 2.79Å; R667-F698 WeakPolarHBondContact O-CD1 3.36Å; R667-F698 PolarHBondContact O-N 2.69Å; R667-F698 VanDerWaalsContact O-N 3.07Å; H669-F698 AromaticContact CE1-CE1 3.34Å; H669-F698 WeakPolarHBondContact CE1-CE1 3.15Å; H669-F698 AromaticContact CE1-CZ 3.56Å; H669-F698 AromaticContact CG-CE1 3.93Å; H669-F698 AromaticContact ND1-CE1 3.47Å; H669-F698 WeakPolarHBondContact ND1-CE1 3.46Å; H669-F698 AromaticContact NE2-CE1 3.72Å; H669-F698 AromaticContact NE2-CZ 3.95Å; I681-F698 HydrophobicContact CD1-CE1 4.13Å; I681-F698 HydrophobicContact CD1-CE2 4.17Å; I681-F698 HydrophobicContact CD1-CZ 3.87Å; C683-F698 HydrophobicContact CB-CD2 4.47Å; F698-D700 HydrophobicContact CD2-CB 4.1Å; F698-D700 HydrophobicContact CE2-CB 3.57Å; F698-D700 HydrophobicContact CZ-CB 4.19Å; F698-H704 HydrophobicContact CE2-CB 4.35Å; F698-H704 AromaticContact CE2-CD2 3.72Å; F698-H704 AromaticContact CE2-CG 3.88Å; F698-H704 AromaticContact CE2-NE2 3.89Å
699	D	98.8	Very high	98.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.			trans	-85.5	108.9	167.2	-179.9	-7.1	0	0	0	107.9	Q540 Q552 P553 L666 S701 F702	Q540-D699 PolarHBondContact NE2-OD2 3.26Å; Q552-D699 WeakPolarHBondContact O-CB 3.35Å; P553-D699 PolarHBondContact O-N 3.06Å; L666-D699 HydrophobicContact CD2-CB 3.7Å; D699-S701 PolarHBondContact O-N 2.99Å; D699-S701 VanDerWaalsContact OD1-CB 3.27Å; D699-S701 WeakPolarHBondContact OD1-CB 3.42Å; D699-S701 PolarHBondContact OD1-N 3.07Å; D699-S701 PolarHBondContact OD1-OG 2.98Å; D699-S701 PolarHBondContact OD2-OG 2.9Å; D699-S701 VanDerWaalsContact OD2-OG 3.07Å; D699-F702 HydrophobicContact CB-CD2 3.82Å; D699-F702 HydrophobicContact CB-CE2 4.23Å; D699-F702 PolarHBondContact O-N 2.73Å; D699-F702 WeakPolarHBondContact OD2-CE2 3.45Å
700	D	98.4	Very high	98.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-6.1	-176.2	87.2	-64	0	0	0	113	G660 R665 R667 F698 F702 H704	G660-D700 WeakPolarHBondContact CA-OD2 3.39Å; G660-D700 PolarHBondContact N-O 2.76Å; R665-D700 WeakPolarHBondContact CG-OD1 3.42Å; R665-D700 IonicContact CZ-OD1 3.81Å; R665-D700 IonicContact CZ-OD2 3.38Å; R665-D700 IonicContact NE-OD1 3.42Å; R665-D700 PolarHBondContact NE-OD1 3.11Å; R665-D700 IonicContact NE-OD2 3.57Å; R665-D700 PolarHBondContact NE-OD2 2.62Å; R665-D700 IonicContact NH2-OD1 3.8Å; R665-D700 IonicContact NH2-OD2 2.68Å; R665-D700 PolarHBondContact NH2-OD2 3.39Å; R667-D700 HydrophobicContact CB-CB 4.09Å; R667-D700 IonicContact CZ-OD2 3.48Å; R667-D700 IonicContact NH1-OD2 3.58Å; R667-D700 PolarHBondContact NH1-OD2 2.94Å; F698-D700 HydrophobicContact CD2-CB 4.1Å; F698-D700 HydrophobicContact CE2-CB 3.57Å; F698-D700 HydrophobicContact CZ-CB 4.19Å; D700-F702 PolarHBondContact O-N 3.49Å; D700-H704 PolarHBondContact O-CE1 2.89Å; D700-H704 PolarHBondContact O-ND1 3.31Å
701	S	98.5	Very high	98.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16	168.9	69.7	0	0	0	0	114.1	Q540 R541 S542 T659 D699	Q540-S701 WeakPolarHBondContact CA-O 3.24Å; Q540-S701 VanDerWaalsContact CG-OG 3.3Å; Q540-S701 WeakPolarHBondContact CG-OG 3.46Å; Q540-S701 PolarHBondContact NE2-OG 2.98Å; R541-S701 PolarHBondContact N-O 2.59Å; S542-S701 WeakPolarHBondContact OG-CB 3.42Å; T659-S701 WeakPolarHBondContact CB-O 3.14Å; T659-S701 WeakPolarHBondContact CG2-O 3.1Å; D699-S701 PolarHBondContact O-N 2.99Å; D699-S701 VanDerWaalsContact OD1-CB 3.27Å; D699-S701 WeakPolarHBondContact OD1-CB 3.42Å; D699-S701 PolarHBondContact OD1-N 3.07Å; D699-S701 PolarHBondContact OD1-OG 2.98Å; D699-S701 PolarHBondContact OD2-OG 2.9Å; D699-S701 VanDerWaalsContact OD2-OG 3.07Å
702	F	98.8	Very high	97.9	Very high	15 Å²	15	30 Å²	30	7%	0.066	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-78.7	152	166.9	-76.7	-104.6	0	0	0	111.2	W539 Q540 A551 P553 A684 D699 D700 H704	W539-F702 HydrophobicContact CB-CD1 3.81Å; W539-F702 HydrophobicContact CB-CE1 4.29Å; W539-F702 CarbonylContact O-C 3.56Å; W539-F702 WeakPolarHBondContact O-CA 3.43Å; Q540-F702 HydrophobicContact CB-CD1 4.21Å; Q540-F702 HydrophobicContact CB-CD2 4.17Å; Q540-F702 HydrophobicContact CB-CE1 4.13Å; Q540-F702 HydrophobicContact CB-CE2 4.09Å; Q540-F702 HydrophobicContact CB-CG 4.23Å; Q540-F702 HydrophobicContact CB-CZ 4.07Å; Q540-F702 HydrophobicContact CG-CD2 3.89Å; Q540-F702 HydrophobicContact CG-CE2 3.85Å; Q540-F702 HydrophobicContact CG-CG 4.38Å; Q540-F702 HydrophobicContact CG-CZ 4.31Å; A551-F702 HydrophobicContact CB-CE2 4.08Å; A551-F702 HydrophobicContact CB-CZ 3.96Å; P553-F702 HydrophobicContact CB-CB 4.49Å; P553-F702 HydrophobicContact CB-CD1 4.19Å; P553-F702 HydrophobicContact CB-CG 4.26Å; A684-F702 HydrophobicContact CB-CD1 4.19Å; D699-F702 HydrophobicContact CB-CD2 3.82Å; D699-F702 HydrophobicContact CB-CE2 4.23Å; D699-F702 PolarHBondContact O-N 2.73Å; D699-F702 WeakPolarHBondContact OD2-CE2 3.45Å; D700-F702 PolarHBondContact O-N 3.49Å; F702-H704 PolarHBondContact O-N 2.74Å; F702-H704 VanDerWaalsContact O-N 3.17Å; F702-H704 PolarHBondContact O-ND1 3.4Å
703	E	98.6	Very high	97.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.			trans	-59.6	120	177.5	-172.8	-172.4	99.3	0	0	111	Q515 Y523 W539 R541 P657 H658 T659 R682 C683 A684	Q515-E703 PolarHBondContact NE2-OE2 2.63Å; Y523-E703 PolarHBondContact OH-OE1 3.13Å; Y523-E703 VanDerWaalsContact OH-OE1 3.07Å; Y523-E703 PolarHBondContact OH-OE2 2.71Å; W539-E703 HydrophobicContact CE3-CB 4.24Å; W539-E703 PolarHBondContact O-N 3.18Å; R541-E703 IonicContact CZ-OE2 2.79Å; R541-E703 VanDerWaalsContact CZ-OE2 3.24Å; R541-E703 IonicContact NH1-OE2 2.69Å; R541-E703 PolarHBondContact NH1-OE2 3.09Å; R541-E703 IonicContact NH2-OE2 3.77Å; R541-E703 PolarHBondContact NH2-OE2 3.17Å; P657-E703 HydrophobicContact CB-CG 3.88Å; H658-E703 CarbonylContact O-C 3.6Å; H658-E703 VanDerWaalsContact O-CA 3.32Å; H658-E703 WeakPolarHBondContact O-CA 3.44Å; T659-E703 HydrophobicContact CG2-CB 4.34Å; R682-E703 IonicContact CZ-OE1 2.94Å; R682-E703 VanDerWaalsContact CZ-OE1 3.23Å; R682-E703 IonicContact NH1-OE1 2.63Å; R682-E703 PolarHBondContact NH1-OE1 3.34Å; R682-E703 IonicContact NH2-OE1 3.78Å; R682-E703 PolarHBondContact NH2-OE1 2.97Å; C683-E703 CarbonylContact C-O 3.54Å; C683-E703 WeakPolarHBondContact CA-O 2.84Å; A684-E703 PolarHBondContact N-O 2.82Å
704	H	98.6	Very high	97.7	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.032	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152.9	176.5	59.8	-76.4	0	0	0	112.3	P657 H658 R682 C683 F698 D700 F702	P657-H704 WeakPolarHBondContact CA-O 3.4Å; H658-H704 AromaticContact CD2-NE2 3.88Å; H658-H704 AromaticContact CE1-CD2 3.72Å; H658-H704 AromaticContact CE1-NE2 3.74Å; H658-H704 PolarHBondContact N-O 2.92Å; H658-H704 PolarHBondContact ND1-O 2.62Å; H658-H704 AromaticContact NE2-CD2 3.77Å; H658-H704 AromaticContact NE2-CE1 3.88Å; H658-H704 AromaticContact NE2-NE2 3.29Å; H658-H704 PolarHBondContact NE2-NE2 3.38Å; H658-H704 PolarHBondContact O-N 3.3Å; H658-H704 PolarHBondContact O-ND1 2.94Å; R682-H704 WeakPolarHBondContact O-CA 3.43Å; R682-H704 WeakPolarHBondContact O-CB 3.32Å; C683-H704 HydrophobicContact CB-CB 4.34Å; F698-H704 HydrophobicContact CE2-CB 4.35Å; F698-H704 AromaticContact CE2-CD2 3.72Å; F698-H704 AromaticContact CE2-CG 3.88Å; F698-H704 AromaticContact CE2-NE2 3.89Å; D700-H704 PolarHBondContact O-CE1 2.89Å; D700-H704 PolarHBondContact O-ND1 3.31Å; F702-H704 PolarHBondContact O-N 2.74Å; F702-H704 VanDerWaalsContact O-N 3.17Å; F702-H704 PolarHBondContact O-ND1 3.4Å
705	E	98.3	Very high	97.7	Very high	30 Å²	30	24.3 Å²	24.3	14%	0.14	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	139.6	-168.8	-171.6	177.9	-153.8	0	0	107.9	H654 P657 I681 R682 W707	H654-E705 IonicContact CE1-OE1 3.81Å; H654-E705 IonicContact NE2-OE1 3.82Å; P657-E705 WeakPolarHBondContact CD-OE1 3.46Å; P657-E705 HydrophobicContact CG-CB 4.48Å; P657-E705 HydrophobicContact CG-CG 4.1Å; P657-E705 WeakPolarHBondContact CG-OE1 3.3Å; I681-E705 WeakPolarHBondContact CA-O 3.45Å; R682-E705 HydrophobicContact CB-CB 4.37Å; R682-E705 IonicContact CZ-OE2 3.55Å; R682-E705 PolarHBondContact N-O 2.89Å; R682-E705 IonicContact NE-OE2 2.73Å; R682-E705 PolarHBondContact NE-OE2 3.41Å; R682-E705 IonicContact NH2-OE2 3.55Å; R682-E705 PolarHBondContact NH2-OE2 2.81Å; R682-E705 PolarHBondContact O-N 3.04Å; R682-E705 VanDerWaalsContact O-N 3.08Å; E705-W707 HydrophobicContact CB-CH2 3.85Å; E705-W707 HydrophobicContact CB-CZ2 4.39Å; E705-W707 HydrophobicContact CB-CZ3 4.12Å; E705-W707 HydrophobicContact CG-CH2 3.53Å; E705-W707 HydrophobicContact CG-CZ2 3.56Å; E705-W707 HydrophobicContact CG-CZ3 4.06Å; E705-W707 WeakPolarHBondContact O-CZ3 3.42Å; E705-W707 WeakPolarHBondContact OE2-CH2 3.38Å; E705-W707 WeakPolarHBondContact OE2-CZ2 3.41Å
706	V	98.2	Very high	97.7	Very high	11 Å²	11	23.6 Å²	23.6	7%	0.067	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.4	-169.7	179.1	0	0	0	0	111.3	M649 H654 V655 I681 W690	M649-V706 HydrophobicContact CE-CG1 3.92Å; M649-V706 HydrophobicContact SD-CG1 3.72Å; H654-V706 WeakPolarHBondContact CA-O 3.21Å; H654-V706 PolarHBondContact CD2-O 3.34Å; V655-V706 HydrophobicContact CB-CB 4.17Å; V655-V706 HydrophobicContact CG2-CB 4.3Å; V655-V706 PolarHBondContact N-O 2.99Å; V655-V706 PolarHBondContact O-N 3.14Å; I681-V706 HydrophobicContact CB-CG2 4.19Å; I681-V706 HydrophobicContact CD1-CG2 4.08Å; I681-V706 HydrophobicContact CG1-CG2 4.03Å; W690-V706 HydrophobicContact CH2-CG1 3.96Å
707	W	98.4	Very high	97.7	Very high	52 Å²	52	22.2 Å²	22.2	20%	0.197	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.7	173.9	-53	-102.7	0	0	0	110.6	H654 K680 R682 E705	H654-W707 AromaticContact CD2-CD1 3.28Å; H654-W707 AromaticContact CD2-CE2 3.88Å; H654-W707 AromaticContact CD2-CG 3.86Å; H654-W707 AromaticContact CD2-NE1 3.24Å; H654-W707 PolarHBondContact CD2-NE1 3.45Å; H654-W707 AromaticContact NE2-CD1 3.8Å; H654-W707 AromaticContact NE2-CE2 3.71Å; H654-W707 AromaticContact NE2-NE1 3.22Å; H654-W707 PolarHBondContact NE2-NE1 3.46Å; K680-W707 HydrophobicContact CD-CB 4.41Å; K680-W707 HydrophobicContact CD-CD2 4.47Å; K680-W707 HydrophobicContact CD-CE3 4.19Å; K680-W707 VanDerWaalsContact CE-CD2 3.44Å; K680-W707 HydrophobicContact CG-CB 4.11Å; K680-W707 HydrophobicContact CG-CD2 4.17Å; K680-W707 HydrophobicContact CG-CE3 3.54Å; K680-W707 HydrophobicContact CG-CG 4.44Å; K680-W707 HydrophobicContact CG-CZ3 4.27Å; K680-W707 PolarHBondContact N-O 3.01Å; K680-W707 PolarHBondContact O-N 3.05Å; K680-W707 VanDerWaalsContact O-N 3.1Å; R682-W707 HydrophobicContact CB-CH2 3.98Å; R682-W707 HydrophobicContact CB-CZ3 3.78Å; E705-W707 HydrophobicContact CB-CH2 3.85Å; E705-W707 HydrophobicContact CB-CZ2 4.39Å; E705-W707 HydrophobicContact CB-CZ3 4.12Å; E705-W707 HydrophobicContact CG-CH2 3.53Å; E705-W707 HydrophobicContact CG-CZ2 3.56Å; E705-W707 HydrophobicContact CG-CZ3 4.06Å; E705-W707 WeakPolarHBondContact O-CZ3 3.42Å; E705-W707 WeakPolarHBondContact OE2-CH2 3.38Å; E705-W707 WeakPolarHBondContact OE2-CZ2 3.41Å
708	Q	96.8	Very high	97.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	84.1	168.7	169.8	50.8	-37.4	0	0	109.3	M649 H650 G652 T653 C679 A710 S712	M649-Q708 HydrophobicContact CG-CB 3.75Å; M649-Q708 HydrophobicContact CG-CG 4.1Å; M649-Q708 HydrophobicContact SD-CB 3.72Å; H650-Q708 WeakPolarHBondContact O-CG 3.41Å; G652-Q708 PolarHBondContact N-O 3.38Å; T653-Q708 PolarHBondContact N-O 3.27Å; T653-Q708 PolarHBondContact O-N 2.9Å; C679-Q708 VanDerWaalsContact SG-CD 3.53Å; C679-Q708 PolarHBondContact SG-OE1 3.49Å; Q708-A710 VanDerWaalsContact C-N 3.34Å; Q708-A710 VanDerWaalsContact OE1-N 3.08Å; Q708-S712 PolarHBondContact NE2-O 3.32Å
709	D	96.2	Very high	97.7	Very high	87 Å²	87	22.3 Å²	22.3	47%	0.465	13%	0.127	S	C	.	.			trans	-91.2	4.7	-179.6	-53.5	-47.8	0	0	0	112.2	G678 K680	G678-D709 PolarHBondContact O-N 2.93Å; K680-D709 IonicContact NZ-OD2 2.71Å; K680-D709 PolarHBondContact NZ-OD2 3.26Å
710	A	95.7	Very high	97.7	Very high	12 Å²	12	22.3 Å²	22.3	10%	0.099	13%	0.127	C	C	.	.	S	Bend	trans	-77.9	168.1	-176.9	0	0	0	0	0	114	P651 P675 E677 Q708	P651-A710 WeakPolarHBondContact CB-O 3.45Å; P651-A710 VanDerWaalsContact CG-O 3.32Å; P651-A710 WeakPolarHBondContact CG-O 3.43Å; P675-A710 HydrophobicContact CB-CB 3.46Å; P675-A710 VanDerWaalsContact CB-CB 3.46Å; P675-A710 HydrophobicContact CG-CB 3.84Å; E677-A710 WeakPolarHBondContact O-CB 3.42Å; Q708-A710 VanDerWaalsContact C-N 3.34Å; Q708-A710 VanDerWaalsContact OE1-N 3.08Å
711	S	94.6	Very high	97.7	Very high	123 Å²	123	22.3 Å²	22.3	86%	0.86	13%	0.126	S	C	*	.	S	Bend	trans	-85.8	-6	179.8	55.5	0	0	0	0	115.8
712	S	95.3	Very high	97.7	Very high	57 Å²	57	22.6 Å²	22.6	40%	0.399	13%	0.128	S	C	.	.	S	Bend	trans	-137.1	168.8	176.3	61.7	0	0	0	0	111.5	Q708	Q708-S712 PolarHBondContact NE2-O 3.32Å
713	F	95.8	Very high	97.7	Very high	61 Å²	61	22 Å²	22	27%	0.268	13%	0.125	S	C	.	.			trans	-64.8	154.6	179.6	71.9	-92.5	0	0	0	112.4	L581 M584 I648 M649 V673 P675 L715	L581-F713 HydrophobicContact CD2-CE2 4.24Å; L581-F713 HydrophobicContact CD2-CZ 4.03Å; M584-F713 HydrophobicContact CE-CD2 4.12Å; M584-F713 HydrophobicContact CE-CE1 4.34Å; M584-F713 HydrophobicContact CE-CE2 3.72Å; M584-F713 HydrophobicContact CE-CZ 3.84Å; I648-F713 HydrophobicContact CD1-CB 4.19Å; I648-F713 HydrophobicContact CD1-CD2 4Å; I648-F713 HydrophobicContact CD1-CG 4.17Å; I648-F713 HydrophobicContact CG1-CB 4.19Å; I648-F713 HydrophobicContact CG1-CD2 4.15Å; I648-F713 HydrophobicContact CG1-CG 4.48Å; M649-F713 CarbonylContact O-C 3.46Å; M649-F713 WeakPolarHBondContact O-CA 3.24Å; V673-F713 HydrophobicContact CB-CE2 3.94Å; V673-F713 HydrophobicContact CG1-CE2 3.87Å; V673-F713 HydrophobicContact CG1-CZ 4.12Å; V673-F713 HydrophobicContact CG2-CE2 4.23Å; P675-F713 WeakPolarHBondContact CG-O 3.31Å; F713-L715 HydrophobicContact CD2-CB 4.28Å; F713-L715 HydrophobicContact CE2-CB 4.12Å
714	R	97.6	Very high	97.7	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.019	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.3	172.6	178.3	-133.8	66.7	171.6	1	109.9	S647 M649 V673 I674 P675 W690 I716	S647-R714 PolarHBondContact OG-NH2 3.44Å; M649-R714 PolarHBondContact N-O 3.34Å; M649-R714 PolarHBondContact O-N 2.84Å; V673-R714 WeakPolarHBondContact O-CA 3.39Å; I674-R714 HydrophobicContact CD1-CG 3.73Å; P675-R714 HydrophobicContact CG-CB 4.45Å; W690-R714 VanDerWaalsContact CZ2-NH1 3.3Å; R714-I716 HydrophobicContact CG-CG2 4.37Å
715	L	98.1	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.4	175.1	-176.2	68.5	0	0	0	110.3	L581 M584 F591 Y646 I648 L672 V673 F713	L581-L715 HydrophobicContact CD2-CD2 4.18Å; L581-L715 HydrophobicContact CG-CD2 4.31Å; M584-L715 HydrophobicContact SD-CD1 3.91Å; M584-L715 HydrophobicContact SD-CD2 3.9Å; M584-L715 HydrophobicContact SD-CG 4.4Å; F591-L715 HydrophobicContact CZ-CD1 4.4Å; Y646-L715 HydrophobicContact CD1-CD1 4.45Å; I648-L715 HydrophobicContact CB-CD1 4.13Å; L672-L715 HydrophobicContact CB-CB 4.35Å; L672-L715 HydrophobicContact CB-CD2 4.05Å; L672-L715 HydrophobicContact CB-CG 4.02Å; L672-L715 WeakPolarHBondContact CB-O 3.46Å; L672-L715 HydrophobicContact CD1-CD2 3.92Å; L672-L715 HydrophobicContact CD1-CG 3.88Å; L672-L715 PolarHBondContact N-O 2.75Å; V673-L715 HydrophobicContact CB-CB 4.04Å; V673-L715 HydrophobicContact CG2-CB 4.35Å; V673-L715 HydrophobicContact CG2-CD2 4.45Å; V673-L715 PolarHBondContact N-O 2.6Å; V673-L715 PolarHBondContact O-N 3.05Å; F713-L715 HydrophobicContact CD2-CB 4.28Å; F713-L715 HydrophobicContact CE2-CB 4.12Å
716	I	98.7	Very high	97.7	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	160.8	171	65.3	172.7	0	0	0	110.6	S647 H669 L670 I674 W690 R714 I718	S647-I716 PolarHBondContact N-O 3.13Å; S647-I716 PolarHBondContact O-N 2.9Å; H669-I716 HydrophobicContact CB-CD1 4.35Å; L670-I716 CarbonylContact O-C 3.58Å; L670-I716 WeakPolarHBondContact O-CA 3.38Å; I674-I716 HydrophobicContact CD1-CG2 3.84Å; W690-I716 HydrophobicContact CD2-CG2 4.39Å; W690-I716 HydrophobicContact CG-CG2 4.19Å; W690-I716 HydrophobicContact CZ2-CD1 4.44Å; R714-I716 HydrophobicContact CG-CG2 4.37Å; I716-I718 HydrophobicContact CD1-CD1 4.3Å; I716-I718 HydrophobicContact CD1-CG1 4.03Å; I716-I718 HydrophobicContact CG1-CG1 4.22Å
717	F	98.8	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.8	168.2	-163.7	-122.3	0	0	0	109.5	L569 I576 L609 T626 L630 I644 Y646 L670 L672 V719	L569-F717 HydrophobicContact CD2-CD1 4.31Å; L569-F717 HydrophobicContact CD2-CE1 4.41Å; I576-F717 HydrophobicContact CG2-CB 4.17Å; I576-F717 HydrophobicContact CG2-CD1 3.86Å; I576-F717 HydrophobicContact CG2-CD2 4.07Å; I576-F717 HydrophobicContact CG2-CE1 4.2Å; I576-F717 HydrophobicContact CG2-CE2 4.41Å; I576-F717 HydrophobicContact CG2-CG 3.79Å; I576-F717 HydrophobicContact CG2-CZ 4.46Å; L609-F717 HydrophobicContact CD1-CE2 3.93Å; L609-F717 HydrophobicContact CD1-CZ 3.87Å; T626-F717 HydrophobicContact CG2-CE1 4.09Å; T626-F717 HydrophobicContact CG2-CE2 4.21Å; T626-F717 HydrophobicContact CG2-CZ 3.59Å; L630-F717 HydrophobicContact CD1-CE1 4.02Å; L630-F717 HydrophobicContact CD1-CZ 3.83Å; I644-F717 HydrophobicContact CG2-CE1 3.86Å; I644-F717 HydrophobicContact CG2-CE2 4.2Å; I644-F717 HydrophobicContact CG2-CZ 3.48Å; I644-F717 VanDerWaalsContact CG2-CZ 3.48Å; Y646-F717 AromaticContact CD1-CD2 3.66Å; Y646-F717 HydrophobicContact CD1-CD2 3.66Å; Y646-F717 HydrophobicContact CD1-CE2 4.26Å; Y646-F717 AromaticContact CD2-CD2 3.92Å; Y646-F717 HydrophobicContact CD2-CD2 3.92Å; Y646-F717 AromaticContact CD2-CE2 3.73Å; Y646-F717 HydrophobicContact CD2-CE2 3.73Å; Y646-F717 AromaticContact CE1-CD2 3.71Å; Y646-F717 HydrophobicContact CE1-CD2 3.71Å; Y646-F717 HydrophobicContact CE1-CE2 4.1Å; Y646-F717 HydrophobicContact CE2-CD2 4Å; Y646-F717 AromaticContact CE2-CE2 3.59Å; Y646-F717 HydrophobicContact CE2-CE2 3.59Å; Y646-F717 AromaticContact CG-CD2 3.76Å; Y646-F717 HydrophobicContact CG-CD2 3.76Å; Y646-F717 HydrophobicContact CG-CE2 4.08Å; Y646-F717 AromaticContact CZ-CD2 3.89Å; Y646-F717 AromaticContact CZ-CE2 3.77Å; L670-F717 HydrophobicContact CB-CB 4.22Å; L670-F717 HydrophobicContact CD2-CB 4.45Å; L670-F717 PolarHBondContact N-O 2.88Å; L670-F717 PolarHBondContact O-N 2.9Å; L672-F717 HydrophobicContact CD1-CB 3.81Å; L672-F717 HydrophobicContact CD2-CB 4.31Å; L672-F717 HydrophobicContact CG-CB 4.12Å; F717-V719 HydrophobicContact CD1-CG2 3.45Å; F717-V719 VanDerWaalsContact CD1-CG2 3.45Å; F717-V719 HydrophobicContact CE1-CG2 3.54Å; F717-V719 HydrophobicContact CG-CG2 4.43Å
718	I	98.8	Very high	97.7	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.2	179.8	-50.6	-171.4	0	0	0	108	I644 K645 R667 M668 I716	I644-I718 WeakPolarHBondContact CA-O 3.3Å; K645-I718 HydrophobicContact CG-CB 4.03Å; K645-I718 HydrophobicContact CG-CD1 4.26Å; K645-I718 HydrophobicContact CG-CG1 4.38Å; K645-I718 PolarHBondContact N-O 2.89Å; K645-I718 WeakPolarHBondContact O-CB 3.49Å; K645-I718 PolarHBondContact O-N 3.18Å; R667-I718 HydrophobicContact CG-CG2 3.86Å; M668-I718 WeakPolarHBondContact O-CA 3.4Å; I716-I718 HydrophobicContact CD1-CD1 4.3Å; I716-I718 HydrophobicContact CD1-CG1 4.03Å; I716-I718 HydrophobicContact CG1-CG1 4.22Å
719	V	98.9	Very high	97.7	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	100.5	178.9	-174.6	0	0	0	0	107.8	L565 L569 L630 T636 I644 M668 F717	L565-V719 HydrophobicContact CD2-CG1 4.37Å; L569-V719 HydrophobicContact CD1-CB 4.41Å; L569-V719 HydrophobicContact CD1-CG2 4.06Å; L569-V719 HydrophobicContact CD2-CG2 4.19Å; L630-V719 HydrophobicContact CD2-CG1 4.49Å; T636-V719 HydrophobicContact CG2-CG1 3.86Å; T636-V719 WeakPolarHBondContact OG1-CG1 3.48Å; I644-V719 HydrophobicContact CG2-CG2 4.22Å; M668-V719 HydrophobicContact CB-CB 4.24Å; M668-V719 VanDerWaalsContact CB-O 3.3Å; M668-V719 WeakPolarHBondContact CB-O 3.36Å; M668-V719 PolarHBondContact N-O 3.21Å; M668-V719 PolarHBondContact O-N 2.67Å; F717-V719 HydrophobicContact CD1-CG2 3.45Å; F717-V719 VanDerWaalsContact CD1-CG2 3.45Å; F717-V719 HydrophobicContact CE1-CG2 3.54Å; F717-V719 HydrophobicContact CG-CG2 4.43Å
720	D	98.8	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.9	174.6	-66.2	-22.1	0	0	0	110.2	T636 G642 Q643 R665 R667	T636-D720 WeakPolarHBondContact CA-O 2.94Å; T636-D720 WeakPolarHBondContact CB-O 3.03Å; T636-D720 PolarHBondContact OG1-O 3.29Å; G642-D720 WeakPolarHBondContact CA-OD2 3.47Å; Q643-D720 PolarHBondContact N-OD2 2.93Å; Q643-D720 WeakPolarHBondContact O-CB 3.43Å; Q643-D720 PolarHBondContact O-N 3.41Å; R665-D720 IonicContact CZ-OD2 2.66Å; R665-D720 IonicContact NE-OD2 2.67Å; R665-D720 IonicContact NH1-OD2 3.84Å; R667-D720 WeakPolarHBondContact CG-OD1 3.23Å; R667-D720 IonicContact CZ-OD1 2.81Å; R667-D720 IonicContact CZ-OD2 2.66Å; R667-D720 IonicContact NE-OD1 2.85Å; R667-D720 PolarHBondContact NE-OD1 3.16Å; R667-D720 IonicContact NE-OD2 2.68Å; R667-D720 IonicContact NH2-OD1 3.99Å; R667-D720 PolarHBondContact NH2-OD1 2.98Å; R667-D720 IonicContact NH2-OD2 3.77Å; R667-D720 PolarHBondContact NH2-OD2 3.01Å
721	V	98.8	Very high	97.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	155.8	170.5	-71.8	0	0	0	0	110.4	Y562 L565 E635 R665 L666 M668	Y562-V721 HydrophobicContact CD2-CB 4.1Å; Y562-V721 HydrophobicContact CD2-CG1 4.19Å; Y562-V721 HydrophobicContact CD2-CG2 3.84Å; Y562-V721 HydrophobicContact CE2-CB 3.9Å; Y562-V721 HydrophobicContact CE2-CG1 4.41Å; Y562-V721 HydrophobicContact CE2-CG2 3.8Å; L565-V721 HydrophobicContact CD2-CG1 3.52Å; E635-V721 HydrophobicContact CG-CG1 4.14Å; E635-V721 WeakPolarHBondContact O-CA 3.24Å; R665-V721 CarbonylContact C-O 3.56Å; R665-V721 WeakPolarHBondContact CA-O 3.33Å; R665-V721 WeakPolarHBondContact CB-O 3.37Å; L666-V721 HydrophobicContact CB-CG2 3.95Å; L666-V721 PolarHBondContact N-O 2.86Å; L666-V721 WeakPolarHBondContact O-CG2 3.47Å; L666-V721 PolarHBondContact O-N 3.13Å; M668-V721 HydrophobicContact CE-CG1 3.84Å; M668-V721 HydrophobicContact CE-CG2 3.95Å
722	W	98.8	Very high	97.8	Very high	7 Å²	7	38.7 Å²	38.7	3%	0.027	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	145.3	162	-71.8	110.6	0	0	0	111.2	Y562 E635 G638 R640 R641 L726 R731 L734	Y562-W722 WeakPolarHBondContact CE2-O 3.48Å; Y562-W722 PolarHBondContact OH-O 3.01Å; E635-W722 PolarHBondContact O-N 3.45Å; G638-W722 WeakPolarHBondContact O-CZ2 3.46Å; G638-W722 PolarHBondContact O-NE1 2.96Å; R640-W722 HydrophobicContact CB-CH2 4.13Å; R640-W722 HydrophobicContact CB-CZ2 3.97Å; R640-W722 HydrophobicContact CG-CZ2 4.41Å; R640-W722 VanDerWaalsContact N-CZ2 3.31Å; R641-W722 HydrophobicContact CB-CZ3 4.34Å; R641-W722 HydrophobicContact CG-CH2 4.26Å; R641-W722 HydrophobicContact CG-CZ3 4.15Å; W722-L726 HydrophobicContact CE3-CD1 3.69Å; W722-L726 HydrophobicContact CZ3-CD1 4.3Å; W722-R731 HydrophobicContact CB-CG 4.24Å; W722-R731 HydrophobicContact CD2-CB 4.16Å; W722-R731 HydrophobicContact CD2-CG 3.78Å; W722-R731 HydrophobicContact CE3-CG 4.33Å; W722-R731 HydrophobicContact CG-CB 4.42Å; W722-R731 HydrophobicContact CG-CG 3.75Å; W722-R731 HydrophobicContact CZ2-CB 4.23Å; W722-R731 VanDerWaalsContact CZ2-O 3.23Å; W722-R731 WeakPolarHBondContact CZ2-O 3.42Å; W722-L734 HydrophobicContact CZ3-CD1 4.16Å
723	H	98.8	Very high	97.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.199	C	C	.	.			trans	-59.1	131.8	168.4	-174.1	-72.3	0	0	0	109.6	L549 K550 W555 C664 E725 L726	L549-H723 HydrophobicContact CD1-CB 4.11Å; K550-H723 PolarHBondContact N-CE1 3.06Å; K550-H723 PolarHBondContact O-NE2 3.42Å; W555-H723 AromaticContact CH2-NE2 3.37Å; W555-H723 WeakPolarHBondContact CH2-NE2 3.2Å; W555-H723 AromaticContact CZ2-NE2 3.14Å; W555-H723 WeakPolarHBondContact CZ2-NE2 3.17Å; C664-H723 PolarHBondContact O-N 3.32Å; H723-E725 VanDerWaalsContact C-N 3.26Å; H723-E725 WeakPolarHBondContact CE1-CB 3.41Å; H723-E725 WeakPolarHBondContact CE1-CG 3.47Å; H723-E725 IonicContact CE1-OE1 3.46Å; H723-E725 PolarHBondContact CE1-OE1 3.27Å; H723-E725 IonicContact CE1-OE2 2.62Å; H723-E725 PolarHBondContact CE1-OE2 3.2Å; H723-E725 PolarHBondContact ND1-N 3.22Å; H723-E725 PolarHBondContact O-N 2.67Å; H723-L726 HydrophobicContact CB-CD1 4.03Å; H723-L726 HydrophobicContact CB-CG 4.23Å; H723-L726 WeakPolarHBondContact O-CB 3.26Å; H723-L726 PolarHBondContact O-N 2.71Å; H723-L726 VanDerWaalsContact O-N 3.1Å
724	P	98.4	Very high	97.7	Very high	31 Å²	31	38 Å²	38	20%	0.201	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-33.8	-166.8	21.7	-35.3	0	0	0	114	W555 Y562 L666 L726 R731	W555-P724 HydrophobicContact CH2-CG 4.29Å; W555-P724 HydrophobicContact CZ3-CG 4.06Å; Y562-P724 HydrophobicContact CE2-CB 4.36Å; L666-P724 HydrophobicContact CD1-CG 4.34Å; P724-L726 VanDerWaalsContact C-N 3.3Å; P724-L726 PolarHBondContact O-N 3.07Å; P724-R731 PolarHBondContact O-NH2 3.01Å
725	E	98.5	Very high	97.5	Very high	95 Å²	95	42 Å²	42	44%	0.444	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.3	-176.6	-65.9	167.2	176.9	0	0	113.3	L549 K550 H723 T727	L549-E725 WeakPolarHBondContact CA-OE2 3.44Å; L549-E725 HydrophobicContact CD2-CB 3.96Å; K550-E725 VanDerWaalsContact CB-OE1 3.23Å; K550-E725 WeakPolarHBondContact CB-OE1 3.23Å; K550-E725 WeakPolarHBondContact CB-OE2 3.42Å; K550-E725 PolarHBondContact N-OE2 3.2Å; H723-E725 VanDerWaalsContact C-N 3.26Å; H723-E725 WeakPolarHBondContact CE1-CB 3.41Å; H723-E725 WeakPolarHBondContact CE1-CG 3.47Å; H723-E725 IonicContact CE1-OE1 3.46Å; H723-E725 PolarHBondContact CE1-OE1 3.27Å; H723-E725 IonicContact CE1-OE2 2.62Å; H723-E725 PolarHBondContact CE1-OE2 3.2Å; H723-E725 PolarHBondContact ND1-N 3.22Å; H723-E725 PolarHBondContact O-N 2.67Å; E725-T727 PolarHBondContact O-N 2.99Å
726	L	98.4	Very high	97.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.237	C	C	.	.	S	Bend	trans	-64.6	123.4	173.1	-73.2	170.5	0	0	0	110.5	V546 L549 C664 W722 H723 P724 Q730 R731 L734	V546-L726 HydrophobicContact CB-CD2 4.16Å; V546-L726 HydrophobicContact CG1-CD2 4.1Å; V546-L726 HydrophobicContact CG2-CD2 4.04Å; L549-L726 HydrophobicContact CD1-CD2 4.08Å; L549-L726 HydrophobicContact CD1-CG 4.17Å; L549-L726 HydrophobicContact CD2-CD2 4.06Å; L549-L726 HydrophobicContact CD2-CG 4.15Å; C664-L726 HydrophobicContact CB-CD1 3.84Å; C664-L726 VanDerWaalsContact O-CD1 3.28Å; C664-L726 WeakPolarHBondContact O-CD1 3.49Å; W722-L726 HydrophobicContact CE3-CD1 3.69Å; W722-L726 HydrophobicContact CZ3-CD1 4.3Å; H723-L726 HydrophobicContact CB-CD1 4.03Å; H723-L726 HydrophobicContact CB-CG 4.23Å; H723-L726 WeakPolarHBondContact O-CB 3.26Å; H723-L726 PolarHBondContact O-N 2.71Å; H723-L726 VanDerWaalsContact O-N 3.1Å; P724-L726 VanDerWaalsContact C-N 3.3Å; P724-L726 PolarHBondContact O-N 3.07Å; L726-Q730 HydrophobicContact CD2-CB 4.03Å; L726-R731 HydrophobicContact CB-CG 4.03Å; L726-R731 VanDerWaalsContact O-CZ 3.23Å; L726-R731 PolarHBondContact O-NE 2.81Å; L726-R731 PolarHBondContact O-NH2 3.39Å; L726-L734 HydrophobicContact CD1-CD1 4.38Å; L726-L734 HydrophobicContact CD2-CD1 4.15Å
727	T	98.1	Very high	97	Very high	68 Å²	68	46.5 Å²	46.5	42%	0.417	25%	0.249	S	C	.	.			trans	-62.3	154.5	175.9	63	0	0	0	0	111.8	E725 Q729 Q730 R731	E725-T727 PolarHBondContact O-N 2.99Å; T727-Q729 PolarHBondContact O-N 2.96Å; T727-Q729 VanDerWaalsContact O-N 3.07Å; T727-Q730 PolarHBondContact O-N 2.99Å; T727-Q730 VanDerWaalsContact O-N 3.08Å; T727-Q730 WeakPolarHBondContact OG1-CG 3.21Å; T727-Q730 PolarHBondContact OG1-N 3.48Å; T727-Q730 PolarHBondContact OG1-OE1 3.31Å; T727-R731 WeakPolarHBondContact O-CG 3.44Å; T727-R731 PolarHBondContact O-N 3.25Å
728	P	97.2	Very high	96.9	Very high	84 Å²	84	48.9 Å²	48.9	55%	0.545	26%	0.261	S	S	.	.	H	α-helix	trans	-54.3	-28.7	173.5	-27.3	35.6	0	0	0	113.8	R732	P728-R732 WeakPolarHBondContact O-CG 3.5Å; P728-R732 PolarHBondContact O-N 3.45Å; P728-R732 PolarHBondContact O-NE 3.31Å
729	Q	96.8	Very high	96.8	Very high	113 Å²	113	51.1 Å²	51.1	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-73.6	-43.7	176.6	-171.7	63	1.4	0	0	112.3	T727 R731 R732 S733	T727-Q729 PolarHBondContact O-N 2.96Å; T727-Q729 VanDerWaalsContact O-N 3.07Å; Q729-R731 PolarHBondContact O-N 3.23Å; Q729-R732 PolarHBondContact O-N 3.08Å; Q729-R732 VanDerWaalsContact O-N 3.13Å; Q729-S733 WeakPolarHBondContact O-CB 3.44Å; Q729-S733 PolarHBondContact O-N 3.18Å; Q729-S733 PolarHBondContact O-OG 3.12Å; Q729-S733 VanDerWaalsContact O-OG 3.1Å
730	Q	97.3	Very high	96.7	Very high	58 Å²	58	53.9 Å²	53.9	27%	0.271	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-42.7	173.3	-72.4	157.7	-51.2	0	0	111.5	L726 T727 R732 S733 L734	L726-Q730 HydrophobicContact CD2-CB 4.03Å; T727-Q730 PolarHBondContact O-N 2.99Å; T727-Q730 VanDerWaalsContact O-N 3.08Å; T727-Q730 WeakPolarHBondContact OG1-CG 3.21Å; T727-Q730 PolarHBondContact OG1-N 3.48Å; T727-Q730 PolarHBondContact OG1-OE1 3.31Å; Q730-R732 PolarHBondContact O-N 2.77Å; Q730-R732 VanDerWaalsContact O-N 3.15Å; Q730-S733 PolarHBondContact O-N 3.09Å; Q730-L734 HydrophobicContact CB-CD1 4.25Å; Q730-L734 HydrophobicContact CB-CG 4.45Å; Q730-L734 WeakPolarHBondContact O-CB 3.49Å; Q730-L734 VanDerWaalsContact O-CG 3.26Å; Q730-L734 WeakPolarHBondContact O-CG 2.99Å; Q730-L734 PolarHBondContact O-N 3.44Å
731	R	97.2	Very high	96.6	Very high	63 Å²	63	57.1 Å²	57.1	24%	0.238	31%	0.305	C	S	.	.	H	α-helix	trans	-58.7	-26.2	175.4	-63.2	-179.6	-161.3	-174.6	4.6	112.7	Y562 R640 W722 P724 L726 T727 Q729	Y562-R731 PolarHBondContact OH-NH1 3.37Å; R640-R731 PolarHBondContact NE-O 2.74Å; R640-R731 PolarHBondContact NH2-O 2.58Å; W722-R731 HydrophobicContact CB-CG 4.24Å; W722-R731 HydrophobicContact CD2-CB 4.16Å; W722-R731 HydrophobicContact CD2-CG 3.78Å; W722-R731 HydrophobicContact CE3-CG 4.33Å; W722-R731 HydrophobicContact CG-CB 4.42Å; W722-R731 HydrophobicContact CG-CG 3.75Å; W722-R731 HydrophobicContact CZ2-CB 4.23Å; W722-R731 VanDerWaalsContact CZ2-O 3.23Å; W722-R731 WeakPolarHBondContact CZ2-O 3.42Å; P724-R731 PolarHBondContact O-NH2 3.01Å; L726-R731 HydrophobicContact CB-CG 4.03Å; L726-R731 VanDerWaalsContact O-CZ 3.23Å; L726-R731 PolarHBondContact O-NE 2.81Å; L726-R731 PolarHBondContact O-NH2 3.39Å; T727-R731 WeakPolarHBondContact O-CG 3.44Å; T727-R731 PolarHBondContact O-N 3.25Å; Q729-R731 PolarHBondContact O-N 3.23Å
732	R	95.1	Very high	96.4	Very high	160 Å²	160	60.6 Å²	60.6	60%	0.604	32%	0.324	S	S	*	.	H	α-helix	trans	-89	-36.3	173.1	-71.1	-176.5	-62.8	-111.3	4.2	114.4	R640 P728 Q729 Q730	R640-R732 VanDerWaalsContact NH2-C 3.28Å; R640-R732 PolarHBondContact NH2-O 3.39Å; R640-R732 VanDerWaalsContact NH2-O 3.1Å; P728-R732 WeakPolarHBondContact O-CG 3.5Å; P728-R732 PolarHBondContact O-N 3.45Å; P728-R732 PolarHBondContact O-NE 3.31Å; Q729-R732 PolarHBondContact O-N 3.08Å; Q729-R732 VanDerWaalsContact O-N 3.13Å; Q730-R732 PolarHBondContact O-N 2.77Å; Q730-R732 VanDerWaalsContact O-N 3.15Å
733	S	93.9	Very high	96.3	Very high	81 Å²	81	64.2 Å²	64.2	57%	0.566	34%	0.344	S	S	*	.	H	α-helix	trans	-94.1	-25.9	-170.3	66.1	0	0	0	0	115.6	Q729 Q730	Q729-S733 WeakPolarHBondContact O-CB 3.44Å; Q729-S733 PolarHBondContact O-N 3.18Å; Q729-S733 PolarHBondContact O-OG 3.12Å; Q729-S733 VanDerWaalsContact O-OG 3.1Å; Q730-S733 PolarHBondContact O-N 3.09Å
734	L	95.8	Very high	96.1	Very high	23 Å²	23	68.7 Å²	68.7	12%	0.12	37%	0.368	C	S	.	.	S	Bend	trans	-59.3	139.9	179.6	-74.3	168.9	0	0	0	110.8	V546 R640 W722 L726 Q730	V546-L734 HydrophobicContact CG2-CD1 4.13Å; V546-L734 HydrophobicContact CG2-CD2 3.88Å; R640-L734 PolarHBondContact NH1-O 3.29Å; R640-L734 PolarHBondContact NH2-O 3.02Å; W722-L734 HydrophobicContact CZ3-CD1 4.16Å; L726-L734 HydrophobicContact CD1-CD1 4.38Å; L726-L734 HydrophobicContact CD2-CD1 4.15Å; Q730-L734 HydrophobicContact CB-CD1 4.25Å; Q730-L734 HydrophobicContact CB-CG 4.45Å; Q730-L734 WeakPolarHBondContact O-CB 3.49Å; Q730-L734 VanDerWaalsContact O-CG 3.26Å; Q730-L734 WeakPolarHBondContact O-CG 2.99Å; Q730-L734 PolarHBondContact O-N 3.44Å
735	P	93.5	Very high	95.9	Very high	89 Å²	89	71.6 Å²	71.6	58%	0.578	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-66	151.8	172.7	27	-33.1	0	0	0	110.8	R641	R641-P735 PolarHBondContact NE-O 3.05Å; R641-P735 PolarHBondContact NH2-O 2.95Å
736	A	93.8	Very high	95.7	Very high	47 Å²	47	69.7 Å²	69.7	39%	0.388	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-69.2	156.5	176.3	0	0	0	0	0	112.1	Q612 R640	Q612-A736 HydrophobicContact CB-CB 4.26Å; Q612-A736 HydrophobicContact CG-CB 4.25Å; R640-A736 HydrophobicContact CB-CB 4.43Å; R640-A736 WeakPolarHBondContact O-CA 3.37Å; R640-A736 VanDerWaalsContact O-CB 3.26Å; R640-A736 WeakPolarHBondContact O-CB 3.4Å
737	I	91.3	Very high	95.4	Very high	49 Å²	49	75.9 Å²	75.9	25%	0.251	41%	0.41	S	S	.	.			trans	-144.7	0	174.1	-49.8	172.7	0	0	0	107.3	Y544 Q612 R640 R641 P661 T662	Y544-I737 VanDerWaalsContact CB-CD1 3.4Å; Y544-I737 HydrophobicContact CD2-CD1 4.05Å; Y544-I737 HydrophobicContact CG-CD1 3.79Å; Q612-I737 PolarHBondContact NE2-O 2.73Å; R640-I737 PolarHBondContact O-N 2.98Å; R641-I737 WeakPolarHBondContact CA-OXT 3.24Å; R641-I737 HydrophobicContact CB-CB 4.5Å; R641-I737 HydrophobicContact CG-CB 4.23Å; R641-I737 HydrophobicContact CG-CD1 4.17Å; R641-I737 HydrophobicContact CG-CG1 4.03Å; P661-I737 HydrophobicContact CB-CG2 4.05Å; P661-I737 HydrophobicContact CG-CG2 3.72Å; T662-I737 HydrophobicContact CG2-CD1 4.15Å

Retrieved 737 of 737 residues in 420.9 ms (Link to these results)

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