A0A077ZJ93_TRITR Loading...

Centromere protein J

AlphaFold DB , UniProt , Accession A0A077ZJ93, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 630 aa.

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(Predicted Aligned Error values between residue pairs)

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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	34.5	Very low	35.2	Very low	234 Å²	234	148 Å²	148	100%	1.153	80%	0.799	S	S	*	*				0	131.9	0	-75.8	-166.2	145.5	0	0	107.2
2	S	35.4	Very low	35.1	Very low	113 Å²	113	157 Å²	157	79%	0.79	81%	0.813	S	S	*	*			trans	57.3	133.5	175.1	56.6	0	0	0	0	118
3	D	34.2	Very low	34.7	Very low	147 Å²	147	149.4 Å²	149.4	79%	0.786	80%	0.797	S	S	*	*			cis	178.5	148.3	-19	-124.1	-30.7	0	0	0	105.6
4	S	37.9	Very low	34.3	Very low	106 Å²	106	151.4 Å²	151.4	74%	0.741	81%	0.807	S	S	*	*			trans	65.9	143.2	152.3	83.7	0	0	0	0	118
5	S	35.2	Very low	34	Very low	106 Å²	106	146.5 Å²	146.5	74%	0.741	81%	0.807	S	S	*	*			cis	176.5	-168.6	-1	50.8	0	0	0	0	105.3
6	P	40.4	Very low	33.9	Very low	89 Å²	89	149.4 Å²	149.4	58%	0.578	82%	0.816	S	S	*	*				-135.1	120.2	-83.6	36.6	-17.7	0	0	0	113.9
7	F	35.1	Very low	34	Very low	192 Å²	192	152.2 Å²	152.2	84%	0.842	82%	0.819	S	S	*	*			trans	-155.7	108.4	159.5	-77.9	-68.1	0	0	0	112.7
8	P	32.2	Very low	33.8	Very low	101 Å²	101	152.9 Å²	152.9	66%	0.656	81%	0.813	S	S	*	*			trans	-111.4	63.6	176.8	40.1	-33.2	0	0	0	113.1
9	F	33.9	Very low	33.8	Very low	172 Å²	172	156.3 Å²	156.3	75%	0.754	82%	0.815	S	S	*	*			trans	-143.6	138.2	172	-36.8	-78	0	0	0	111.5
10	L	34	Very low	33.7	Very low	171 Å²	171	153.9 Å²	153.9	90%	0.895	81%	0.812	S	S	*	*			trans	87.6	62.3	-170.1	-63.8	153.4	0	0	0	115.4
11	K	34.7	Very low	33.8	Very low	197 Å²	197	154.9 Å²	154.9	86%	0.857	81%	0.81	S	S	*	*			trans	-63.9	133.9	142.8	-77.3	-165.7	174.8	-175.2	0	108.4	G13	K11-G13 PolarHBondContact O-N 2.76Å
12	R	33.9	Very low	33.6	Very low	256 Å²	256	149.6 Å²	149.6	97%	0.966	79%	0.785	S	S	*	*	S	Bend	trans	-57.4	124	161.5	-79	179	-84	-156.1	-4.2	107.9
13	G	29.6	Very low	33.4	Very low	58 Å²	58	151.6 Å²	151.6	60%	0.598	78%	0.782	S	S	*	*	S	Bend	trans	117.7	124.5	178.6	0	0	0	0	0	112	K11	K11-G13 PolarHBondContact O-N 2.76Å
14	D	29.1	Very low	33.2	Very low	177 Å²	177	149.9 Å²	149.9	95%	0.947	77%	0.765	S	S	*	*	S	Bend	trans	74.8	95.3	171	-55.4	-26.7	0	0	0	117.3
15	G	29.7	Very low	32.8	Very low	78 Å²	78	149.7 Å²	149.7	80%	0.804	76%	0.761	S	S	*	*			trans	158.7	21.4	164.1	0	0	0	0	0	119.7
16	M	32.7	Very low	32.8	Very low	194 Å²	194	150.9 Å²	150.9	96%	0.956	76%	0.764	S	S	*	*			trans	-109.5	90.2	164.9	-74.9	-150.5	167	0	0	110.2
17	K	35.5	Very low	32.2	Very low	196 Å²	196	155.4 Å²	155.4	85%	0.852	77%	0.774	S	S	*	*			trans	-61.8	134.3	163.2	-75.1	-179.5	179.6	175.6	0	108.5	Y19	K17-Y19 PolarHBondContact O-N 3.47Å
18	K	29.6	Very low	32.2	Very low	166 Å²	166	155.3 Å²	155.3	72%	0.722	77%	0.774	S	S	*	*			trans	-52.5	111.2	-177.9	-59.1	173.2	177.5	-178.4	0	111.4
19	Y	33.9	Very low	32.2	Very low	217 Å²	217	161.2 Å²	161.2	85%	0.851	78%	0.783	S	S	*	*			trans	-127.1	98.5	150.2	-73	-79.7	0	0	0	107.7	K17 K21	K17-Y19 PolarHBondContact O-N 3.47Å; Y19-K21 PolarHBondContact O-N 3.44Å
20	S	33.3	Very low	32	Very low	108 Å²	108	158.2 Å²	158.2	76%	0.755	79%	0.79	S	S	*	*			trans	-63.1	111	174.2	46	0	0	0	0	109.8	I22	S20-I22 PolarHBondContact O-N 3.06Å; S20-I22 VanDerWaalsContact O-N 3.07Å
21	K	34.1	Very low	32	Very low	175 Å²	175	154.3 Å²	154.3	76%	0.761	78%	0.777	S	S	*	*			trans	17.1	83.4	132	-156.1	171.8	-171	177.8	0	114.2	Y19 Q23	Y19-K21 PolarHBondContact O-N 3.44Å; K21-Q23 HydrophobicContact CG-CG 4.33Å; K21-Q23 PolarHBondContact O-N 3.35Å
22	I	31.5	Very low	32	Very low	123 Å²	123	153.4 Å²	153.4	63%	0.631	78%	0.776	S	S	*	*			trans	-81.8	100.1	155.2	-60.7	175.8	0	0	0	105.1	S20 Y24	S20-I22 PolarHBondContact O-N 3.06Å; S20-I22 VanDerWaalsContact O-N 3.07Å; I22-Y24 HydrophobicContact CG2-CD2 4.4Å; I22-Y24 HydrophobicContact CG2-CE2 4.2Å; I22-Y24 PolarHBondContact O-N 3.36Å
23	Q	30.8	Very low	32	Very low	154 Å²	154	148.3 Å²	148.3	72%	0.72	77%	0.768	S	S	*	*			trans	-73.3	108.2	163.1	-92.1	176.8	-37.3	0	0	106.9	K21	K21-Q23 HydrophobicContact CG-CG 4.33Å; K21-Q23 PolarHBondContact O-N 3.35Å
24	Y	30	Very low	32.2	Very low	112 Å²	112	150.2 Å²	150.2	44%	0.439	78%	0.778	S	S	.	*			trans	-66.4	129.3	162.5	-67	-88.4	0	0	0	107.6	I22 V26	I22-Y24 HydrophobicContact CG2-CD2 4.4Å; I22-Y24 HydrophobicContact CG2-CE2 4.2Å; I22-Y24 PolarHBondContact O-N 3.36Å; Y24-V26 PolarHBondContact O-N 3.14Å
25	P	30.8	Very low	32.5	Very low	102 Å²	102	146.7 Å²	146.7	66%	0.662	77%	0.774	S	S	*	*			trans	-63.8	113	168.9	26.1	-29.7	0	0	0	107.2	F27	P25-F27 VanDerWaalsContact C-N 3.29Å; P25-F27 HydrophobicContact CG-CE2 4.48Å; P25-F27 PolarHBondContact O-N 3.05Å
26	V	34.3	Very low	32.8	Very low	131 Å²	131	147 Å²	147	79%	0.794	77%	0.768	S	S	*	*			trans	-66.7	96.3	166.7	178.2	0	0	0	0	106	Y24 K28	Y24-V26 PolarHBondContact O-N 3.14Å; V26-K28 VanDerWaalsContact C-N 3.27Å; V26-K28 PolarHBondContact O-N 3.48Å
27	F	28.1	Very low	32.8	Very low	183 Å²	183	145 Å²	145	80%	0.803	76%	0.761	S	S	*	*			trans	-66.4	95.5	162.3	-90.1	-86.3	0	0	0	106.8	P25 R29	P25-F27 VanDerWaalsContact C-N 3.29Å; P25-F27 HydrophobicContact CG-CE2 4.48Å; P25-F27 PolarHBondContact O-N 3.05Å; F27-R29 VanDerWaalsContact C-N 3.31Å; F27-R29 PolarHBondContact O-N 3.01Å
28	K	35	Very low	32.5	Very low	191 Å²	191	142 Å²	142	83%	0.83	76%	0.763	S	S	*	*			trans	-58.7	103	157.3	-86.6	-172	174.2	-174.1	0	106.2	V26 A30	V26-K28 VanDerWaalsContact C-N 3.27Å; V26-K28 PolarHBondContact O-N 3.48Å; K28-A30 PolarHBondContact O-N 3.48Å; K28-A30 VanDerWaalsContact O-N 3.09Å
29	R	32.3	Very low	32.7	Very low	224 Å²	224	138.1 Å²	138.1	85%	0.845	76%	0.762	S	S	*	*			trans	-57	116.4	160.5	-85.5	-175.7	179.1	131.5	-1.4	106.1	F27 S31	F27-R29 VanDerWaalsContact C-N 3.31Å; F27-R29 PolarHBondContact O-N 3.01Å; R29-S31 PolarHBondContact O-N 2.95Å
30	A	29	Very low	32.6	Very low	110 Å²	110	135.7 Å²	135.7	91%	0.909	76%	0.763	S	S	*	*			trans	-66.5	82.3	160.7	0	0	0	0	0	107.3	K28	K28-A30 PolarHBondContact O-N 3.48Å; K28-A30 VanDerWaalsContact O-N 3.09Å
31	S	34.5	Very low	32.6	Very low	88 Å²	88	139.4 Å²	139.4	62%	0.615	77%	0.769	S	S	*	*			trans	-127.7	53.1	168.2	71.1	0	0	0	0	109.1	R29	R29-S31 PolarHBondContact O-N 2.95Å
32	E	33.7	Very low	32.5	Very low	179 Å²	179	141.3 Å²	141.3	84%	0.836	78%	0.777	S	S	*	*	S	Bend	trans	-126.6	0.6	169	-77.8	-176.2	159.3	0	0	113.3
33	N	35	Very low	32.6	Very low	149 Å²	149	144 Å²	144	80%	0.797	79%	0.788	S	S	*	*	S	Bend	trans	-118.9	12.8	177.3	-79.3	-10.6	0	0	0	115.5
34	A	33.3	Very low	32.9	Very low	97 Å²	97	145.3 Å²	145.3	80%	0.802	79%	0.793	S	S	*	*	S	Bend	trans	-109.8	-0.5	177.1	0	0	0	0	0	114.4
35	A	34.9	Very low	33.2	Very low	104 Å²	104	148.2 Å²	148.2	86%	0.86	82%	0.816	S	S	*	*	S	Bend	trans	-108	7	-180	0	0	0	0	0	114.2
36	A	36.6	Very low	33.3	Very low	83 Å²	83	152.9 Å²	152.9	69%	0.686	83%	0.826	S	S	*	*	S	Bend	trans	-124.2	13.8	-177.4	0	0	0	0	0	114.3
37	L	33.1	Very low	33.4	Very low	153 Å²	153	153.2 Å²	153.2	80%	0.801	83%	0.828	S	S	*	*	S	Bend	trans	-122.5	19.5	179.2	-79.3	168.3	0	0	0	113.8
38	C	29.9	Very low	33.7	Very low	133 Å²	133	151.7 Å²	151.7	90%	0.899	83%	0.828	S	S	*	*	S	Bend	trans	-135.1	57.2	171.1	-78.4	0	0	0	0	109.8
39	A	31.9	Very low	33.7	Very low	85 Å²	85	148.1 Å²	148.1	70%	0.702	83%	0.826	S	S	*	*	S	Bend	trans	-162.9	75.3	168.7	0	0	0	0	0	107.1
40	D	32.2	Very low	33.9	Very low	165 Å²	165	141.8 Å²	141.8	88%	0.882	82%	0.822	S	S	*	*	S	Bend	trans	164	79.4	158.7	-90.6	-17.3	0	0	0	108.1
41	E	33.4	Very low	34.4	Very low	187 Å²	187	141.7 Å²	141.7	87%	0.874	82%	0.815	S	S	*	*			trans	-176.7	77.8	160.7	-109.5	177.4	-166.6	0	0	107.6
42	F	32.7	Very low	34.4	Very low	214 Å²	214	145.2 Å²	145.2	94%	0.939	83%	0.827	S	S	*	*			trans	-176.1	65.1	154.2	-111.1	-76.3	0	0	0	110.8
43	E	33.2	Very low	34.7	Very low	181 Å²	181	142.4 Å²	142.4	85%	0.846	82%	0.824	S	S	*	*			trans	-149.3	98.5	155.4	-92.2	-147.4	161.5	0	0	109.1
44	H	37.1	Very low	34.8	Very low	181 Å²	181	139.7 Å²	139.7	84%	0.838	82%	0.822	S	S	*	*			trans	-175.8	94.3	144.7	-100.4	24.3	0	0	0	108.9
45	N	36	Very low	35.1	Very low	172 Å²	172	142.3 Å²	142.3	92%	0.92	82%	0.822	S	S	*	*			trans	-160.6	98.8	139.6	-99.2	-24.1	0	0	0	109.7
46	K	32.2	Very low	35.2	Very low	201 Å²	201	145 Å²	145	87%	0.874	82%	0.817	S	S	*	*			trans	-67	132.2	166.7	-83.9	173.4	168.5	172.8	0	110.5
47	V	37.3	Very low	35.3	Very low	138 Å²	138	149.2 Å²	149.2	84%	0.836	82%	0.819	S	S	*	*			trans	-158.6	97	133.1	-176.3	0	0	0	0	106.2
48	N	35	Very low	35.6	Very low	150 Å²	150	149 Å²	149	80%	0.802	82%	0.819	S	S	*	*				72.7	134.9	95.6	-104	8.3	0	0	0	117.4
49	C	35.1	Very low	36	Very low	116 Å²	116	148.7 Å²	148.7	78%	0.784	81%	0.812	S	S	*	*			trans	100.7	76.4	159.4	-57.7	0	0	0	0	119.2
50	A	36	Very low	36.1	Very low	92 Å²	92	149.1 Å²	149.1	76%	0.76	81%	0.811	S	S	*	*				41.7	135	116.3	0	0	0	0	0	123.3
51	S	38.9	Very low	36.3	Very low	108 Å²	108	149.7 Å²	149.7	76%	0.755	81%	0.808	S	S	*	*			trans	93.8	114.2	138.5	29.1	0	0	0	0	122.3
52	D	35.9	Very low	36.2	Very low	162 Å²	162	148.9 Å²	148.9	87%	0.866	80%	0.804	S	S	*	*			trans	86.4	125.9	141.3	-77.7	-22.3	0	0	0	123.7
53	P	39.6	Very low	36.3	Very low	120 Å²	120	144.3 Å²	144.3	78%	0.779	80%	0.796	S	S	*	*			trans	-110.6	151	176.5	39.9	-29.6	0	0	0	114.2
54	A	36.4	Very low	36.4	Very low	91 Å²	91	142 Å²	142	75%	0.752	79%	0.794	S	S	*	*			trans	-173.2	150.2	150.8	0	0	0	0	0	113.1
55	L	39	Very low	36.1	Very low	153 Å²	153	138.8 Å²	138.8	80%	0.801	79%	0.792	S	S	*	*			trans	84.4	102	162.8	-62.1	158.7	0	0	0	117.3
56	Q	37.3	Very low	35.9	Very low	161 Å²	161	135.6 Å²	135.6	75%	0.752	78%	0.783	S	S	*	*				75.7	124.9	75.7	-89.9	-165.3	6	0	0	116.7
57	K	39.4	Very low	35.9	Very low	171 Å²	171	132.3 Å²	132.3	74%	0.743	78%	0.78	S	S	*	*			trans	105.1	102.3	146.9	-73.4	172.1	-178.2	-179.9	0	120.1
58	N	38.4	Very low	35.7	Very low	148 Å²	148	131.1 Å²	131.1	79%	0.791	78%	0.777	S	S	*	*				55.1	131.3	116.8	-63.7	-4.3	0	0	0	121.6
59	V	38.3	Very low	35.7	Very low	126 Å²	126	128.4 Å²	128.4	76%	0.764	78%	0.776	S	S	*	*				157	105.8	120	166.1	0	0	0	0	107.5
60	S	35.1	Very low	35.8	Very low	95 Å²	95	127.6 Å²	127.6	66%	0.664	77%	0.771	S	S	*	*				60.7	133	104	-33	0	0	0	0	113.4
61	E	35.3	Very low	35.9	Very low	177 Å²	177	127.3 Å²	127.3	83%	0.827	76%	0.762	S	S	*	*			cis	-176.7	171.4	32.5	-125.1	161.3	-148.5	0	0	109.1
62	E	32.2	Very low	36	Very low	169 Å²	169	125.8 Å²	125.8	79%	0.79	75%	0.751	S	S	*	*			trans	94.2	119	164.9	-64.3	-87.1	133.8	0	0	120.6
63	P	35	Very low	36.5	Very low	119 Å²	119	123.6 Å²	123.6	77%	0.773	74%	0.744	S	S	*	*			trans	-107.4	139.5	170.7	37	-25.5	0	0	0	113
64	V	34.9	Very low	37	Very low	132 Å²	132	122.1 Å²	122.1	80%	0.8	74%	0.736	S	S	*	*			trans	-144.5	133.5	168.1	-150.1	0	0	0	0	111.2
65	S	29.9	Very low	37.4	Very low	113 Å²	113	120.7 Å²	120.7	79%	0.79	72%	0.72	S	S	*	*			trans	-54.3	141.3	177.6	53	0	0	0	0	115.5
66	S	32.5	Very low	37.8	Very low	106 Å²	106	118 Å²	118	74%	0.741	71%	0.706	S	S	*	*			trans	-162.5	113.4	151.7	57.3	0	0	0	0	114
67	V	32.8	Very low	38.4	Very low	132 Å²	132	115 Å²	115	80%	0.8	69%	0.692	S	S	*	*			trans	74	99	134.7	-170.4	0	0	0	0	118.5	A69	V67-A69 PolarHBondContact O-N 3.42Å
68	S	32.9	Very low	38.9	Very low	112 Å²	112	109.1 Å²	109.1	78%	0.783	68%	0.675	S	S	*	*			trans	-68.6	111.6	149.4	55.8	0	0	0	0	108.9	S70	S68-S70 PolarHBondContact O-N 2.88Å
69	A	35.5	Very low	39.2	Very low	93 Å²	93	106.7 Å²	106.7	77%	0.769	66%	0.66	S	S	*	*			trans	-77.4	103.4	175.9	0	0	0	0	0	109.9	V67	V67-A69 PolarHBondContact O-N 3.42Å
70	S	36.7	Very low	40	Very low	99 Å²	99	105.2 Å²	105.2	69%	0.692	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-56.4	142.5	162.5	-46.7	0	0	0	0	109.3	S68 S72	S68-S70 PolarHBondContact O-N 2.88Å; S70-S72 PolarHBondContact O-N 2.79Å; S70-S72 VanDerWaalsContact O-N 3.14Å
71	P	38.7	Very low	41.1	Very low	86 Å²	86	103 Å²	103	56%	0.558	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-59.7	125.5	174.3	25.7	-30.9	0	0	0	107.9	C75	P71-C75 HydrophobicContact CB-CB 4.41Å
72	S	40.7	Very low	42.4	Very low	76 Å²	76	99.3 Å²	99.3	53%	0.531	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-50.9	145.3	178	63.2	0	0	0	0	110.5	S70 S74 C75	S70-S72 PolarHBondContact O-N 2.79Å; S70-S72 VanDerWaalsContact O-N 3.14Å; S72-S74 PolarHBondContact O-N 2.88Å; S72-C75 WeakPolarHBondContact O-CB 3.32Å; S72-C75 PolarHBondContact O-N 3.02Å
73	T	46.3	Very low	43.4	Very low	116 Å²	116	97.2 Å²	97.2	71%	0.712	60%	0.601	S	S	*	*	H	α-helix	trans	-49.4	-27.9	177	-9	0	0	0	0	112.4	C75 Q77	T73-C75 VanDerWaalsContact C-N 3.35Å; T73-C75 PolarHBondContact O-N 3.44Å; T73-Q77 WeakPolarHBondContact O-CB 3.34Å; T73-Q77 PolarHBondContact O-N 3.23Å
74	S	49.6	Very low	44.8	Very low	89 Å²	89	94.8 Å²	94.8	62%	0.622	58%	0.584	S	S	*	*	H	α-helix	trans	-62.8	-33.5	173.4	-175.7	0	0	0	0	114.1	S72 A78	S72-S74 PolarHBondContact O-N 2.88Å; S74-A78 WeakPolarHBondContact O-CB 3.43Å; S74-A78 PolarHBondContact O-N 3.1Å; S74-A78 VanDerWaalsContact O-N 3.1Å
75	C	44.4	Very low	46.3	Very low	62 Å²	62	93.2 Å²	93.2	42%	0.419	57%	0.566	S	S	.	*	H	α-helix	trans	-78.7	-39.9	-179.3	-164.5	0	0	0	0	111.5	P71 S72 T73 A78 M79	P71-C75 HydrophobicContact CB-CB 4.41Å; S72-C75 WeakPolarHBondContact O-CB 3.32Å; S72-C75 PolarHBondContact O-N 3.02Å; T73-C75 VanDerWaalsContact C-N 3.35Å; T73-C75 PolarHBondContact O-N 3.44Å; C75-A78 PolarHBondContact O-N 3.3Å; C75-M79 PolarHBondContact O-N 3.35Å
76	L	47.9	Very low	47.8	Very low	96 Å²	96	93.6 Å²	93.6	50%	0.503	56%	0.555	S	S	.	*	H	α-helix	trans	-64	-41.7	173.7	-70.8	175.4	0	0	0	111.2	A78 M79 E80	L76-A78 VanDerWaalsContact C-N 3.32Å; L76-A78 PolarHBondContact O-N 2.95Å; L76-M79 PolarHBondContact O-N 3.43Å; L76-E80 WeakPolarHBondContact O-CB 3.24Å; L76-E80 PolarHBondContact O-N 2.84Å
77	Q	50.3	Low	49.2	Very low	99 Å²	99	94.4 Å²	94.4	46%	0.463	55%	0.546	S	S	.	.	H	α-helix	trans	-70	-28.7	177	-161.2	154.1	12.7	0	0	112.9	T73 N81	T73-Q77 WeakPolarHBondContact O-CB 3.34Å; T73-Q77 PolarHBondContact O-N 3.23Å; Q77-N81 WeakPolarHBondContact O-CB 3.26Å; Q77-N81 PolarHBondContact O-N 3.33Å; Q77-N81 PolarHBondContact O-ND2 2.93Å; Q77-N81 VanDerWaalsContact O-ND2 3.08Å
78	A	49.4	Very low	50.9	Low	47 Å²	47	93 Å²	93	39%	0.388	53%	0.53	S	S	.	.	H	α-helix	trans	-69.4	-40.2	172.3	0	0	0	0	0	112.2	S74 C75 L76 N81 I82	S74-A78 WeakPolarHBondContact O-CB 3.43Å; S74-A78 PolarHBondContact O-N 3.1Å; S74-A78 VanDerWaalsContact O-N 3.1Å; C75-A78 PolarHBondContact O-N 3.3Å; L76-A78 VanDerWaalsContact C-N 3.32Å; L76-A78 PolarHBondContact O-N 2.95Å; A78-N81 PolarHBondContact O-N 3.17Å; A78-I82 WeakPolarHBondContact O-CG1 3.46Å; A78-I82 PolarHBondContact O-N 3.05Å
79	M	44.9	Very low	52.7	Low	97 Å²	97	93 Å²	93	48%	0.478	52%	0.521	S	S	.	.	H	α-helix	trans	-64.8	-43.6	173.6	-77.6	174.7	31.9	0	0	111.7	C75 L76 N81 I82 E83	C75-M79 PolarHBondContact O-N 3.35Å; L76-M79 PolarHBondContact O-N 3.43Å; M79-N81 VanDerWaalsContact C-N 3.32Å; M79-N81 PolarHBondContact O-N 3.48Å; M79-I82 PolarHBondContact O-N 3.18Å; M79-I82 VanDerWaalsContact O-N 3.08Å; M79-E83 PolarHBondContact O-N 2.87Å
80	E	55.2	Low	54.3	Low	94 Å²	94	94.3 Å²	94.3	44%	0.439	51%	0.514	S	S	.	.	H	α-helix	trans	-60.6	-40.9	176.9	-165.1	175.2	-159.6	0	0	111.8	L76 I82 E83 V84	L76-E80 WeakPolarHBondContact O-CB 3.24Å; L76-E80 PolarHBondContact O-N 2.84Å; E80-I82 VanDerWaalsContact C-N 3.31Å; E80-I82 PolarHBondContact O-N 2.88Å; E80-E83 PolarHBondContact O-N 3.5Å; E80-V84 VanDerWaalsContact O-CG2 3.3Å; E80-V84 WeakPolarHBondContact O-CG2 3.41Å; E80-V84 PolarHBondContact O-N 2.83Å
81	N	58.2	Low	55.9	Low	50 Å²	50	93.8 Å²	93.8	27%	0.267	50%	0.501	S	S	.	.	H	α-helix	trans	-66.5	-28.6	175.4	-74.8	-30.4	0	0	0	113.5	Q77 A78 M79 K85 M439	Q77-N81 WeakPolarHBondContact O-CB 3.26Å; Q77-N81 PolarHBondContact O-N 3.33Å; Q77-N81 PolarHBondContact O-ND2 2.93Å; Q77-N81 VanDerWaalsContact O-ND2 3.08Å; A78-N81 PolarHBondContact O-N 3.17Å; M79-N81 VanDerWaalsContact C-N 3.32Å; M79-N81 PolarHBondContact O-N 3.48Å; N81-K85 VanDerWaalsContact O-CG 3.28Å; N81-K85 WeakPolarHBondContact O-CG 3.43Å; N81-K85 PolarHBondContact O-N 2.87Å; N81-M439 HydrophobicContact CB-CE 4.18Å; N81-M439 WeakPolarHBondContact OD1-CE 3.47Å
82	I	61.6	Low	57.5	Low	98 Å²	98	96.1 Å²	96.1	50%	0.503	50%	0.502	S	S	.	.	H	α-helix	trans	-75.8	-43.7	176.3	-67.9	164.9	0	0	0	110.1	A78 M79 E80 K85 Q86	A78-I82 WeakPolarHBondContact O-CG1 3.46Å; A78-I82 PolarHBondContact O-N 3.05Å; M79-I82 PolarHBondContact O-N 3.18Å; M79-I82 VanDerWaalsContact O-N 3.08Å; E80-I82 VanDerWaalsContact C-N 3.31Å; E80-I82 PolarHBondContact O-N 2.88Å; I82-K85 PolarHBondContact O-N 3.17Å; I82-Q86 WeakPolarHBondContact O-CG 3.45Å; I82-Q86 PolarHBondContact O-N 2.8Å
83	E	54.5	Low	58.6	Low	126 Å²	126	96.6 Å²	96.6	59%	0.589	50%	0.499	S	S	*	.	H	α-helix	trans	-65.2	-41.3	179.4	-70.4	-173.8	170.9	0	0	112.1	M79 E80 K85 Q86 F87	M79-E83 PolarHBondContact O-N 2.87Å; E80-E83 PolarHBondContact O-N 3.5Å; E83-K85 PolarHBondContact O-N 2.85Å; E83-Q86 PolarHBondContact O-N 3.17Å; E83-F87 PolarHBondContact O-N 2.98Å
84	V	63.7	Low	59.5	Low	67 Å²	67	93.8 Å²	93.8	41%	0.406	49%	0.487	S	S	.	.	H	α-helix	trans	-63.4	-42.1	175.4	174	0	0	0	0	111.2	E80 Q86 F87 E88	E80-V84 VanDerWaalsContact O-CG2 3.3Å; E80-V84 WeakPolarHBondContact O-CG2 3.41Å; E80-V84 PolarHBondContact O-N 2.83Å; V84-Q86 VanDerWaalsContact C-N 3.35Å; V84-Q86 PolarHBondContact O-N 3.36Å; V84-F87 PolarHBondContact O-N 3.42Å; V84-E88 PolarHBondContact O-N 3.39Å
85	K	66.5	Low	60	Low	99 Å²	99	94.5 Å²	94.5	43%	0.43	48%	0.481	S	S	.	.	H	α-helix	trans	-62	-41.6	174.4	-78.3	179.6	-175.3	-178.1	0	112.1	N81 I82 E83 F87 L89 M439	N81-K85 VanDerWaalsContact O-CG 3.28Å; N81-K85 WeakPolarHBondContact O-CG 3.43Å; N81-K85 PolarHBondContact O-N 2.87Å; I82-K85 PolarHBondContact O-N 3.17Å; E83-K85 PolarHBondContact O-N 2.85Å; K85-F87 VanDerWaalsContact C-N 3.3Å; K85-L89 WeakPolarHBondContact O-CB 3.38Å; K85-L89 PolarHBondContact O-N 3.41Å; K85-L89 VanDerWaalsContact O-N 3.09Å; K85-M439 HydrophobicContact CD-SD 4.02Å; K85-M439 WeakPolarHBondContact CE-SD 3.31Å; K85-M439 HydrophobicContact CG-SD 3.68Å
86	Q	60.6	Low	60.6	Low	121 Å²	121	98 Å²	98	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-64.5	-37.4	176.6	-73.9	-178.3	-2.5	0	0	111.4	I82 E83 V84 L89 L90	I82-Q86 WeakPolarHBondContact O-CG 3.45Å; I82-Q86 PolarHBondContact O-N 2.8Å; E83-Q86 PolarHBondContact O-N 3.17Å; V84-Q86 VanDerWaalsContact C-N 3.35Å; V84-Q86 PolarHBondContact O-N 3.36Å; Q86-L89 PolarHBondContact O-N 2.9Å; Q86-L90 WeakPolarHBondContact O-CB 3.48Å; Q86-L90 PolarHBondContact O-N 3.33Å
87	F	62.5	Low	60.6	Low	123 Å²	123	99.3 Å²	99.3	54%	0.539	50%	0.498	S	S	.	.	H	α-helix	trans	-70	-43	178	-154.1	-90.1	0	0	0	112.6	E83 V84 K85 L89 L90 E91	E83-F87 PolarHBondContact O-N 2.98Å; V84-F87 PolarHBondContact O-N 3.42Å; K85-F87 VanDerWaalsContact C-N 3.3Å; F87-L89 VanDerWaalsContact C-N 3.26Å; F87-L89 PolarHBondContact O-N 3.49Å; F87-L90 PolarHBondContact O-N 3.23Å; F87-E91 WeakPolarHBondContact O-CB 3.41Å; F87-E91 PolarHBondContact O-N 3.1Å
88	E	68.8	Low	60.6	Low	103 Å²	103	99.5 Å²	99.5	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-61.3	-35.6	173.3	-76.7	-173.6	172.3	0	0	112.2	V84 E91 K92	V84-E88 PolarHBondContact O-N 3.39Å; E88-E91 PolarHBondContact O-N 3.47Å; E88-K92 WeakPolarHBondContact O-CB 3.38Å; E88-K92 WeakPolarHBondContact O-CG 3.41Å; E88-K92 PolarHBondContact O-N 3.17Å
89	L	70.1	Confident	60.4	Low	111 Å²	111	104.3 Å²	104.3	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-72.1	-38.2	178.4	-145.3	148.8	0	0	0	111.1	K85 Q86 F87 L93	K85-L89 WeakPolarHBondContact O-CB 3.38Å; K85-L89 PolarHBondContact O-N 3.41Å; K85-L89 VanDerWaalsContact O-N 3.09Å; Q86-L89 PolarHBondContact O-N 2.9Å; F87-L89 VanDerWaalsContact C-N 3.26Å; F87-L89 PolarHBondContact O-N 3.49Å; L89-L93 HydrophobicContact CD2-CD1 4.02Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 WeakPolarHBondContact O-CG 3.33Å; L89-L93 PolarHBondContact O-N 3.28Å
90	L	68.6	Low	60	Low	121 Å²	121	102.6 Å²	102.6	63%	0.634	53%	0.526	S	S	*	.	H	α-helix	trans	-66.8	-37.3	170.8	-105.9	125.6	0	0	0	112.5	Q86 F87 L93 A94	Q86-L90 WeakPolarHBondContact O-CB 3.48Å; Q86-L90 PolarHBondContact O-N 3.33Å; F87-L90 PolarHBondContact O-N 3.23Å; L90-L93 PolarHBondContact O-N 2.87Å; L90-A94 VanDerWaalsContact O-CB 3.25Å; L90-A94 WeakPolarHBondContact O-CB 3.44Å; L90-A94 PolarHBondContact O-N 2.85Å
91	E	72.2	Confident	59.3	Low	88 Å²	88	103.8 Å²	103.8	41%	0.411	54%	0.535	S	S	.	.	H	α-helix	trans	-69.1	-42.5	176.7	-170.2	176.2	-170	0	0	111.3	F87 E88 A94 Q95	F87-E91 WeakPolarHBondContact O-CB 3.41Å; F87-E91 PolarHBondContact O-N 3.1Å; E88-E91 PolarHBondContact O-N 3.47Å; E91-A94 PolarHBondContact O-N 3.44Å; E91-Q95 WeakPolarHBondContact O-CB 3.36Å; E91-Q95 VanDerWaalsContact O-CG 3.31Å; E91-Q95 WeakPolarHBondContact O-CG 3.28Å; E91-Q95 PolarHBondContact O-N 3.18Å
92	K	70.4	Confident	58.9	Low	135 Å²	135	105.9 Å²	105.9	59%	0.587	55%	0.554	S	S	*	*	H	α-helix	trans	-60.7	-45.1	171.6	-78.7	-179.6	179.3	175.3	0	111.8	E88 A94 Q95 E96	E88-K92 WeakPolarHBondContact O-CB 3.38Å; E88-K92 WeakPolarHBondContact O-CG 3.41Å; E88-K92 PolarHBondContact O-N 3.17Å; K92-A94 VanDerWaalsContact C-N 3.33Å; K92-A94 PolarHBondContact O-N 2.69Å; K92-Q95 PolarHBondContact O-N 2.99Å; K92-E96 WeakPolarHBondContact O-CB 3.32Å; K92-E96 WeakPolarHBondContact O-CG 3.42Å; K92-E96 PolarHBondContact O-N 3.26Å
93	L	65.2	Low	58.4	Low	87 Å²	87	103.3 Å²	103.3	46%	0.455	54%	0.544	S	S	.	.	H	α-helix	trans	-63	-38.9	174.7	-80.7	171.1	0	0	0	111.9	L89 L90 E96 L97	L89-L93 HydrophobicContact CD2-CD1 4.02Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 WeakPolarHBondContact O-CG 3.33Å; L89-L93 PolarHBondContact O-N 3.28Å; L90-L93 PolarHBondContact O-N 2.87Å; L93-E96 PolarHBondContact O-N 3.5Å; L93-L97 VanDerWaalsContact O-CB 3.23Å; L93-L97 WeakPolarHBondContact O-CB 3.43Å; L93-L97 WeakPolarHBondContact O-CD1 3.34Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 2.98Å
94	A	65.7	Low	58.4	Low	57 Å²	57	99.4 Å²	99.4	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-68.2	-37.2	176.9	0	0	0	0	0	112.1	L90 E91 K92 S98	L90-A94 VanDerWaalsContact O-CB 3.25Å; L90-A94 WeakPolarHBondContact O-CB 3.44Å; L90-A94 PolarHBondContact O-N 2.85Å; E91-A94 PolarHBondContact O-N 3.44Å; K92-A94 VanDerWaalsContact C-N 3.33Å; K92-A94 PolarHBondContact O-N 2.69Å; A94-S98 WeakPolarHBondContact O-CB 3.44Å; A94-S98 PolarHBondContact O-N 2.96Å
95	Q	59.5	Low	57.4	Low	104 Å²	104	104 Å²	104	49%	0.486	55%	0.545	S	S	.	.	H	α-helix	trans	-68.6	-40.9	173.8	-71.9	175	13	0	0	111.3	E91 K92 S98 L99	E91-Q95 WeakPolarHBondContact O-CB 3.36Å; E91-Q95 VanDerWaalsContact O-CG 3.31Å; E91-Q95 WeakPolarHBondContact O-CG 3.28Å; E91-Q95 PolarHBondContact O-N 3.18Å; K92-Q95 PolarHBondContact O-N 2.99Å; Q95-S98 PolarHBondContact O-N 2.86Å; Q95-L99 VanDerWaalsContact O-CB 3.29Å; Q95-L99 WeakPolarHBondContact O-CB 3.29Å; Q95-L99 VanDerWaalsContact O-CG 3.3Å; Q95-L99 WeakPolarHBondContact O-CG 3.5Å; Q95-L99 PolarHBondContact O-N 3.36Å
96	E	57.6	Low	56.8	Low	135 Å²	135	104.1 Å²	104.1	63%	0.631	55%	0.55	S	S	*	*	H	α-helix	trans	-68	-37.2	174.8	-75.4	-171.4	174.1	0	0	112.5	K92 L93 S98 S100	K92-E96 WeakPolarHBondContact O-CB 3.32Å; K92-E96 WeakPolarHBondContact O-CG 3.42Å; K92-E96 PolarHBondContact O-N 3.26Å; L93-E96 PolarHBondContact O-N 3.5Å; E96-S98 VanDerWaalsContact C-N 3.35Å; E96-S100 VanDerWaalsContact O-CB 3.28Å; E96-S100 WeakPolarHBondContact O-CB 3.27Å; E96-S100 PolarHBondContact O-N 3.49Å; E96-S100 PolarHBondContact O-OG 3.22Å
97	L	48.1	Very low	56.6	Low	124 Å²	124	106.7 Å²	106.7	65%	0.649	55%	0.554	S	S	*	*	H	α-helix	trans	-74.2	-24.4	174.1	-70.7	169.3	0	0	0	112.9	L93	L93-L97 VanDerWaalsContact O-CB 3.23Å; L93-L97 WeakPolarHBondContact O-CB 3.43Å; L93-L97 WeakPolarHBondContact O-CD1 3.34Å; L93-L97 WeakPolarHBondContact O-CG 3.46Å; L93-L97 PolarHBondContact O-N 2.98Å
98	S	50.2	Low	56.1	Low	102 Å²	102	106.2 Å²	106.2	71%	0.713	56%	0.557	S	S	*	*	H	α-helix	trans	-82.3	-28.7	175.3	-178.6	0	0	0	0	112.4	A94 Q95 E96	A94-S98 WeakPolarHBondContact O-CB 3.44Å; A94-S98 PolarHBondContact O-N 2.96Å; Q95-S98 PolarHBondContact O-N 2.86Å; E96-S98 VanDerWaalsContact C-N 3.35Å
99	L	44.1	Very low	55.1	Low	148 Å²	148	106 Å²	106	78%	0.775	56%	0.558	S	S	*	*	H	α-helix	trans	-101.2	-6.2	-178.4	-65.4	171.9	0	0	0	114.1	Q95	Q95-L99 VanDerWaalsContact O-CB 3.29Å; Q95-L99 WeakPolarHBondContact O-CB 3.29Å; Q95-L99 VanDerWaalsContact O-CG 3.3Å; Q95-L99 WeakPolarHBondContact O-CG 3.5Å; Q95-L99 PolarHBondContact O-N 3.36Å
100	S	37.1	Very low	54	Low	61 Å²	61	107.5 Å²	107.5	43%	0.427	57%	0.567	S	S	.	*	S	Bend	trans	-94.9	106.6	170.4	54.7	0	0	0	0	110.7	E96 S102	E96-S100 VanDerWaalsContact O-CB 3.28Å; E96-S100 WeakPolarHBondContact O-CB 3.27Å; E96-S100 PolarHBondContact O-N 3.49Å; E96-S100 PolarHBondContact O-OG 3.22Å; S100-S102 PolarHBondContact O-N 3.5Å
101	D	40.8	Very low	53	Low	120 Å²	120	109 Å²	109	64%	0.642	57%	0.571	S	S	*	*			trans	-31	119.4	168.9	-159.6	32.9	0	0	0	111.8	S103 A104	D101-S103 PolarHBondContact O-N 3Å; D101-S103 PolarHBondContact OD2-OG 3.38Å; D101-A104 PolarHBondContact O-N 3.4Å
102	S	48.4	Very low	51.8	Low	93 Å²	93	110 Å²	110	65%	0.65	58%	0.583	S	S	*	*	H	α-helix	trans	-53.3	-7.8	-178.4	175.6	0	0	0	0	114	S100	S100-S102 PolarHBondContact O-N 3.5Å
103	S	51.1	Low	50.1	Low	44 Å²	44	112 Å²	112	31%	0.308	59%	0.594	S	S	.	*	H	α-helix	trans	-72.4	-28.6	171	79	0	0	0	0	114.2	D101 R107	D101-S103 PolarHBondContact O-N 3Å; D101-S103 PolarHBondContact OD2-OG 3.38Å; S103-R107 WeakPolarHBondContact O-CG 3.4Å; S103-R107 PolarHBondContact O-N 3.46Å; S103-R107 VanDerWaalsContact O-N 3.08Å
104	A	54.6	Low	48.6	Very low	45 Å²	45	112.8 Å²	112.8	37%	0.372	60%	0.604	S	S	.	*	H	α-helix	trans	-73.6	-38.2	-179	0	0	0	0	0	112.5	D101 R107 L108	D101-A104 PolarHBondContact O-N 3.4Å; A104-R107 PolarHBondContact O-N 2.84Å; A104-L108 PolarHBondContact O-N 2.92Å; A104-L108 VanDerWaalsContact O-N 3.09Å
105	Y	42.5	Very low	47.3	Very low	162 Å²	162	117.5 Å²	117.5	64%	0.635	62%	0.621	S	S	*	*	H	α-helix	trans	-69.1	-33.8	175.2	-167.5	-100.3	0	0	0	112.3	L109	Y105-L109 HydrophobicContact CD1-CD1 3.67Å; Y105-L109 HydrophobicContact CE1-CD1 3.35Å; Y105-L109 HydrophobicContact CE1-CG 4.29Å; Y105-L109 WeakPolarHBondContact O-CB 3.5Å; Y105-L109 PolarHBondContact O-N 3.38Å
106	L	55.5	Low	46.2	Very low	103 Å²	103	118.4 Å²	118.4	54%	0.539	64%	0.635	S	S	.	*	H	α-helix	trans	-74.1	-26.5	173.7	-74	172.2	0	0	0	113.3	N110	L106-N110 PolarHBondContact O-N 3.49Å
107	R	56.5	Low	45.3	Very low	174 Å²	174	118.6 Å²	118.6	66%	0.657	65%	0.645	S	S	*	*	H	α-helix	trans	-71.9	-44.2	171.5	-78	176.5	177.7	158.3	0.9	111.6	S103 A104 L109 N110 E111	S103-R107 WeakPolarHBondContact O-CG 3.4Å; S103-R107 PolarHBondContact O-N 3.46Å; S103-R107 VanDerWaalsContact O-N 3.08Å; A104-R107 PolarHBondContact O-N 2.84Å; R107-L109 PolarHBondContact O-N 3.33Å; R107-N110 PolarHBondContact O-N 3.22Å; R107-E111 PolarHBondContact O-N 3.05Å
108	L	51.5	Low	44.6	Very low	113 Å²	113	116 Å²	116	59%	0.592	65%	0.648	S	S	*	*	H	α-helix	trans	-66	-33.1	176.1	-86.2	157.9	0	0	0	113.3	A104 V112	A104-L108 PolarHBondContact O-N 2.92Å; A104-L108 VanDerWaalsContact O-N 3.09Å; L108-V112 WeakPolarHBondContact O-CG2 3.49Å
109	L	47.7	Very low	44	Very low	98 Å²	98	118.8 Å²	118.8	51%	0.513	66%	0.655	S	S	.	*	H	α-helix	trans	-73.5	-25.7	175.2	-85.6	167.7	0	0	0	114	Y105 R107	Y105-L109 HydrophobicContact CD1-CD1 3.67Å; Y105-L109 HydrophobicContact CE1-CD1 3.35Å; Y105-L109 HydrophobicContact CE1-CG 4.29Å; Y105-L109 WeakPolarHBondContact O-CB 3.5Å; Y105-L109 PolarHBondContact O-N 3.38Å; R107-L109 PolarHBondContact O-N 3.33Å
110	N	46.6	Very low	43.7	Very low	144 Å²	144	120 Å²	120	77%	0.77	66%	0.656	S	S	*	*	H	α-helix	trans	-85	-9.1	176.4	-83	-12.7	0	0	0	113.5	L106 R107	L106-N110 PolarHBondContact O-N 3.49Å; R107-N110 PolarHBondContact O-N 3.22Å
111	E	47.8	Very low	43.7	Very low	153 Å²	153	122.8 Å²	122.8	72%	0.715	68%	0.676	S	S	*	*	S	Bend	trans	-96.5	0.5	179.6	-77	177.3	169.9	0	0	113.8	R107	R107-E111 PolarHBondContact O-N 3.05Å
112	V	46.5	Very low	43.6	Very low	108 Å²	108	121.5 Å²	121.5	66%	0.655	68%	0.682	S	S	*	*	S	Bend	trans	-103.4	14.4	-173.6	-178.9	0	0	0	0	113.9	L108	L108-V112 WeakPolarHBondContact O-CG2 3.49Å
113	H	35.6	Very low	42.9	Very low	177 Å²	177	123.3 Å²	123.3	82%	0.819	69%	0.691	S	S	*	*			trans	-130.3	106	169.6	-92.7	-71.1	0	0	0	112
114	P	34.2	Very low	42.4	Very low	103 Å²	103	128.3 Å²	128.3	67%	0.669	72%	0.72	S	S	*	*			trans	-88.8	158.6	166.7	34.2	-27.7	0	0	0	111.8
115	D	36.4	Very low	41.6	Very low	156 Å²	156	129.8 Å²	129.8	83%	0.834	73%	0.732	S	S	*	*			trans	84.6	123.9	173.7	-51.7	-24.8	0	0	0	115.3
116	T	36.4	Very low	41.2	Very low	124 Å²	124	130 Å²	130	76%	0.761	74%	0.744	S	S	*	*			cis	-157.1	157.8	19.9	-45.5	0	0	0	0	110.7
117	T	38.9	Very low	40.2	Very low	138 Å²	138	128.9 Å²	128.9	85%	0.847	76%	0.757	S	S	*	*			trans	96.5	112.5	166.1	75	0	0	0	0	116.4
118	G	33.7	Very low	39.1	Very low	69 Å²	69	128.6 Å²	128.6	71%	0.711	77%	0.768	S	S	*	*			trans	-87.4	162.9	-170.1	0	0	0	0	0	114.6
119	N	38	Very low	38.4	Very low	161 Å²	161	131.6 Å²	131.6	86%	0.861	78%	0.779	S	S	*	*				-162	145	116.6	-104.2	-24.4	0	0	0	111.1
120	H	37	Very low	37.9	Very low	174 Å²	174	131.2 Å²	131.2	81%	0.806	78%	0.784	S	S	*	*			trans	-55.3	141.2	-172.6	-64.9	-92.5	0	0	0	114.7
121	S	37.6	Very low	37.3	Very low	119 Å²	119	131 Å²	131	83%	0.832	78%	0.783	S	S	*	*				171.6	112.6	110.5	-73.4	0	0	0	0	113.6
122	A	39.4	Very low	36.7	Very low	94 Å²	94	130.4 Å²	130.4	78%	0.777	78%	0.782	S	S	*	*			trans	37	128.6	145	0	0	0	0	0	122.9
123	P	34.2	Very low	36.3	Very low	130 Å²	130	131.9 Å²	131.9	84%	0.844	78%	0.782	S	S	*	*			trans	-107.7	142.2	155.3	35.5	-23.5	0	0	0	112.2
124	V	39.9	Very low	36.3	Very low	149 Å²	149	131.4 Å²	131.4	90%	0.903	78%	0.78	S	S	*	*			trans	-119.9	144.6	169.3	175.6	0	0	0	0	110.1
125	A	38.1	Very low	36.2	Very low	76 Å²	76	131.6 Å²	131.6	63%	0.628	79%	0.79	S	S	*	*			trans	-66	152.4	-162.6	0	0	0	0	0	118.4
126	N	33	Very low	36.1	Very low	168 Å²	168	127.6 Å²	127.6	90%	0.898	79%	0.786	S	S	*	*			trans	39.1	126	132.6	-61.9	-17.6	0	0	0	120.5
127	G	34.6	Very low	36	Very low	78 Å²	78	127.4 Å²	127.4	80%	0.804	79%	0.786	S	S	*	*			trans	-173.7	121.6	157	0	0	0	0	0	111.6
128	L	34.6	Very low	35.7	Very low	169 Å²	169	130.4 Å²	130.4	89%	0.885	79%	0.788	S	S	*	*			trans	-69.8	173	-172.9	-72.7	151.6	0	0	0	114.6
129	Q	36.3	Very low	35.7	Very low	176 Å²	176	132.2 Å²	132.2	82%	0.822	79%	0.785	S	S	*	*			trans	98.5	97.4	153.8	-82.1	169.3	-40.5	0	0	119.5
130	S	36.6	Very low	35.2	Very low	89 Å²	89	132 Å²	132	62%	0.622	78%	0.784	S	S	*	*				45.6	129.6	113.5	64.3	0	0	0	0	120.6
131	D	35.3	Very low	35	Very low	141 Å²	141	130.7 Å²	130.7	75%	0.754	79%	0.788	S	S	*	*			trans	90.7	111.1	139.3	-66.7	-21.4	0	0	0	120.5
132	M	35.2	Very low	34.6	Very low	140 Å²	140	130.6 Å²	130.6	69%	0.69	79%	0.787	S	S	*	*				76.2	124.1	125.9	-79.6	-174.4	67.7	0	0	120.4
133	Q	37.3	Very low	34.4	Very low	139 Å²	139	129.9 Å²	129.9	65%	0.65	79%	0.789	S	S	*	*			trans	91.6	109.1	136.2	-77.5	179.2	-16.2	0	0	119.2
134	Q	35.2	Very low	34.3	Very low	167 Å²	167	132 Å²	132	78%	0.78	79%	0.788	S	S	*	*				75.8	114.2	123.4	-73.3	-177.8	12.1	0	0	119.2
135	A	32.9	Very low	34	Very low	106 Å²	106	132.4 Å²	132.4	88%	0.876	79%	0.785	S	S	*	*				80.3	120.1	123.2	0	0	0	0	0	118.5
136	G	33.6	Very low	33.9	Very low	73 Å²	73	134 Å²	134	75%	0.753	79%	0.791	S	S	*	*			trans	162.5	104.3	158.4	0	0	0	0	0	112.3
137	P	34.9	Very low	33.8	Very low	119 Å²	119	131.4 Å²	131.4	77%	0.773	79%	0.787	S	S	*	*			trans	-94.5	132.8	173.7	33.8	-25.5	0	0	0	110.5
138	F	32.7	Very low	33.7	Very low	202 Å²	202	131.6 Å²	131.6	89%	0.886	79%	0.788	S	S	*	*			trans	-152.1	105.4	164.7	-101.3	-81.8	0	0	0	113
139	T	32.7	Very low	33.5	Very low	106 Å²	106	130.3 Å²	130.3	65%	0.65	79%	0.787	S	S	*	*				33.1	117.8	125.5	-10.4	0	0	0	0	121.2
140	L	27.7	Very low	33.3	Very low	158 Å²	158	126.4 Å²	126.4	83%	0.827	79%	0.786	S	S	*	*			trans	23.7	128.7	133.5	-69.6	147.5	0	0	0	118.9
141	T	33.2	Very low	33.2	Very low	145 Å²	145	127.3 Å²	127.3	89%	0.89	80%	0.798	S	S	*	*				-161.2	153.9	115.9	44.3	0	0	0	0	111.8
142	S	29.8	Very low	33	Very low	117 Å²	117	126.2 Å²	126.2	82%	0.818	80%	0.801	S	S	*	*			trans	-72	153.8	-172.1	50	0	0	0	0	115.8
143	G	34.1	Very low	32.9	Very low	79 Å²	79	128.9 Å²	128.9	81%	0.814	81%	0.812	S	S	*	*			trans	-154.4	98.7	156.9	0	0	0	0	0	109.7
144	Q	32.5	Very low	32.8	Very low	176 Å²	176	130.2 Å²	130.2	82%	0.822	82%	0.823	S	S	*	*			trans	-73.2	175.5	162.7	-74.7	178.7	-82.5	0	0	109.6
145	D	33.7	Very low	32.7	Very low	156 Å²	156	130.2 Å²	130.2	83%	0.834	83%	0.827	S	S	*	*			trans	100.9	129.1	176.1	-51.5	-19.2	0	0	0	111.5
146	S	36.5	Very low	32.9	Very low	109 Å²	109	130.8 Å²	130.8	76%	0.762	83%	0.825	S	S	*	*			cis	-168.6	158.2	4.2	37.7	0	0	0	0	107.9
147	S	30.2	Very low	33.2	Very low	115 Å²	115	136.5 Å²	136.5	80%	0.804	83%	0.829	S	S	*	*			trans	-41.1	137.6	173.6	49.8	0	0	0	0	116.2
148	G	33.1	Very low	33.2	Very low	81 Å²	81	140.7 Å²	140.7	84%	0.835	84%	0.835	S	S	*	*			trans	-144.1	80.9	166.8	0	0	0	0	0	111.1
149	T	31	Very low	33.4	Very low	142 Å²	142	136.2 Å²	136.2	87%	0.871	83%	0.829	S	S	*	*			trans	-71	122.8	166.8	-52.7	0	0	0	0	109.3
150	A	30.4	Very low	33.7	Very low	95 Å²	95	137.4 Å²	137.4	79%	0.785	84%	0.836	S	S	*	*			trans	174.4	111.7	149.1	0	0	0	0	0	110.9
151	A	34.9	Very low	34.2	Very low	107 Å²	107	137.3 Å²	137.3	88%	0.884	84%	0.836	S	S	*	*			trans	174.9	67.2	140.1	0	0	0	0	0	109.6
152	S	31.8	Very low	34.5	Very low	118 Å²	118	138.4 Å²	138.4	83%	0.825	84%	0.835	S	S	*	*			trans	-102.9	155.6	150.3	-91.3	0	0	0	0	107.2
153	E	31.7	Very low	34.7	Very low	197 Å²	197	135.9 Å²	135.9	92%	0.921	83%	0.827	S	S	*	*			trans	95.9	83.5	176.5	-59	-173	139.6	0	0	116.1
154	L	35.3	Very low	34.7	Very low	167 Å²	167	136.7 Å²	136.7	87%	0.874	83%	0.826	S	S	*	*			trans	-127.5	133.3	149.3	-104.2	155.4	0	0	0	107.6
155	L	35	Very low	35	Very low	166 Å²	166	134.8 Å²	134.8	87%	0.869	83%	0.826	S	S	*	*			trans	98.7	74.2	168	-61.1	147	0	0	0	116.6
156	S	35.2	Very low	35.2	Very low	119 Å²	119	133.1 Å²	133.1	83%	0.832	82%	0.822	S	S	*	*			trans	-46	134.9	157.3	172.4	0	0	0	0	113.9
157	K	41.1	Very low	35.6	Very low	193 Å²	193	133.2 Å²	133.2	84%	0.839	82%	0.82	S	S	*	*			trans	-70.5	121.1	171.3	-66	173.6	176.3	177.6	0	110	S159	K157-S159 PolarHBondContact O-N 3.21Å
158	K	35.3	Very low	35.8	Very low	206 Å²	206	133 Å²	133	90%	0.896	82%	0.819	S	S	*	*			trans	-80	97.5	162.6	-119.7	175.4	179.5	178.5	0	108.1
159	S	36	Very low	36.1	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	82%	0.819	S	S	*	*			trans	-78.7	129.6	161.1	-83.4	0	0	0	0	108.8	K157	K157-S159 PolarHBondContact O-N 3.21Å
160	V	39.6	Very low	36.6	Very low	131 Å²	131	133.1 Å²	133.1	79%	0.794	81%	0.812	S	S	*	*			trans	-83.9	114.3	173.8	171.6	0	0	0	0	107.5	I162	V160-I162 PolarHBondContact O-N 2.92Å
161	D	37.8	Very low	37	Very low	155 Å²	155	133.7 Å²	133.7	83%	0.829	81%	0.81	S	S	*	*			trans	-67.5	123.8	168.1	-88.4	-39.9	0	0	0	110	G163	D161-G163 PolarHBondContact O-N 3.46Å
162	I	38.8	Very low	37.2	Very low	168 Å²	168	134.5 Å²	134.5	86%	0.862	81%	0.81	S	S	*	*			trans	-78.6	95	172	-63.6	172.6	0	0	0	107.1	V160 A164	V160-I162 PolarHBondContact O-N 2.92Å; I162-A164 PolarHBondContact O-N 3.35Å
163	G	34.6	Very low	37.5	Very low	64 Å²	64	136.7 Å²	136.7	66%	0.66	81%	0.811	S	S	*	*			trans	-75.7	113.8	169.3	0	0	0	0	0	110.8	D161 V165	D161-G163 PolarHBondContact O-N 3.46Å; G163-V165 PolarHBondContact O-N 2.86Å
164	A	33.4	Very low	37.8	Very low	96 Å²	96	132.8 Å²	132.8	79%	0.793	81%	0.806	S	S	*	*			trans	-55.1	125.2	174.7	0	0	0	0	0	112.1	I162	I162-A164 PolarHBondContact O-N 3.35Å
165	V	39.1	Very low	38.3	Very low	136 Å²	136	130.3 Å²	130.3	82%	0.824	80%	0.802	S	S	*	*			trans	-100.8	106.2	170.1	176.8	0	0	0	0	108.1	G163	G163-V165 PolarHBondContact O-N 2.86Å
166	V	37.9	Very low	38.7	Very low	122 Å²	122	130.6 Å²	130.6	74%	0.739	80%	0.803	S	S	*	*			trans	-103.2	122.9	163.2	175	0	0	0	0	107
167	P	44.8	Very low	39.3	Very low	111 Å²	111	128.7 Å²	128.7	72%	0.721	79%	0.788	S	S	*	*			trans	-106.5	111.3	158.9	26.3	-11.6	0	0	0	109.8
168	S	34	Very low	39.8	Very low	111 Å²	111	124.1 Å²	124.1	78%	0.776	78%	0.78	S	S	*	*			trans	-60.6	125	161.7	-30.1	0	0	0	0	109.9
169	S	40.8	Very low	40.7	Very low	120 Å²	120	119.1 Å²	119.1	84%	0.839	77%	0.771	S	S	*	*			trans	-140	98.9	157.3	59.2	0	0	0	0	109.3
170	S	41.3	Very low	41.7	Very low	104 Å²	104	118.5 Å²	118.5	73%	0.727	76%	0.763	S	S	*	*			trans	-81.9	156.6	169.7	44.3	0	0	0	0	111.2
171	S	38.4	Very low	42.6	Very low	107 Å²	107	117.8 Å²	117.8	75%	0.748	75%	0.754	S	S	*	*			trans	75.4	106.8	156.2	70	0	0	0	0	119.2
172	S	39.3	Very low	43.8	Very low	125 Å²	125	113 Å²	113	87%	0.874	73%	0.733	S	S	*	*				-167.3	116	114.3	18.5	0	0	0	0	109.7
173	L	37.9	Very low	45.4	Very low	164 Å²	164	108.9 Å²	108.9	86%	0.859	72%	0.715	S	S	*	*			trans	-71.2	156.9	168.4	-81.3	97	0	0	0	110.7
174	S	38.8	Very low	47.5	Very low	115 Å²	115	109.3 Å²	109.3	80%	0.804	70%	0.702	S	S	*	*			trans	118.7	102.4	143.5	74.4	0	0	0	0	115
175	S	45.5	Very low	49.6	Very low	114 Å²	114	109.7 Å²	109.7	80%	0.797	69%	0.694	S	S	*	*				170	114.7	122.5	53.1	0	0	0	0	108.2	P177	S175-P177 WeakPolarHBondContact O-CD 3.35Å
176	I	43.5	Very low	51.7	Low	173 Å²	173	108.8 Å²	108.8	89%	0.887	68%	0.684	S	S	*	*			trans	-83.4	125.6	175.3	-62.9	164.2	0	0	0	107.6
177	P	48.3	Very low	54	Low	79 Å²	79	108.1 Å²	108.1	51%	0.513	67%	0.673	S	S	.	*			trans	-128.4	123	149.2	32.6	-17.7	0	0	0	111.2	S175 S179	S175-P177 WeakPolarHBondContact O-CD 3.35Å; P177-S179 PolarHBondContact O-N 2.81Å
178	S	50.5	Low	56	Low	96 Å²	96	109.1 Å²	109.1	67%	0.671	67%	0.666	S	S	*	*			trans	44.1	70.5	156.4	57.4	0	0	0	0	118.7	V180	S178-V180 VanDerWaalsContact C-N 3.3Å; S178-V180 PolarHBondContact O-N 3.31Å
179	S	55.4	Low	58.6	Low	102 Å²	102	111.9 Å²	111.9	71%	0.713	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	35.3	-25.4	140	-158.3	0	0	0	0	124.8	P177 T183	P177-S179 PolarHBondContact O-N 2.81Å; S179-T183 PolarHBondContact O-OG1 3.32Å
180	V	55.3	Low	60.9	Low	96 Å²	96	111.2 Å²	111.2	58%	0.582	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	-43.5	-174.8	-165.4	0	0	0	0	111.5	S178 I184	S178-V180 VanDerWaalsContact C-N 3.3Å; S178-V180 PolarHBondContact O-N 3.31Å; V180-I184 HydrophobicContact CG1-CD1 4.16Å; V180-I184 WeakPolarHBondContact O-CD1 3.47Å; V180-I184 VanDerWaalsContact O-CG1 3.24Å; V180-I184 WeakPolarHBondContact O-CG1 3.37Å; V180-I184 PolarHBondContact O-N 2.95Å
181	D	59.8	Low	63.2	Low	116 Å²	116	110.5 Å²	110.5	62%	0.62	63%	0.631	S	S	*	*	H	α-helix	trans	-80.9	-37.4	-174.4	-70.8	-28.7	0	0	0	114	T183 I184 V185	D181-T183 VanDerWaalsContact C-N 3.31Å; D181-T183 PolarHBondContact O-N 3.01Å; D181-I184 PolarHBondContact O-N 3.35Å; D181-V185 WeakPolarHBondContact O-CG2 3.44Å; D181-V185 PolarHBondContact O-N 3.4Å
182	S	62.4	Low	65.7	Low	55 Å²	55	109.2 Å²	109.2	39%	0.385	62%	0.619	S	S	.	*	H	α-helix	trans	-67.3	-33.2	176.5	-60.1	0	0	0	0	112.7	V185 L186	S182-V185 PolarHBondContact O-N 2.91Å; S182-L186 WeakPolarHBondContact O-CB 3.48Å; S182-L186 WeakPolarHBondContact O-CG 3.43Å; S182-L186 PolarHBondContact O-N 2.69Å
183	T	73.4	Confident	68.1	Low	80 Å²	80	107.7 Å²	107.7	49%	0.491	60%	0.599	S	S	.	*	H	α-helix	trans	-67	-41.5	176.5	-39.2	0	0	0	0	110.6	S179 D181 L186 Q187	S179-T183 PolarHBondContact O-OG1 3.32Å; D181-T183 VanDerWaalsContact C-N 3.31Å; D181-T183 PolarHBondContact O-N 3.01Å; T183-L186 PolarHBondContact O-N 3.17Å; T183-Q187 VanDerWaalsContact O-CB 3.26Å; T183-Q187 WeakPolarHBondContact O-CB 3.3Å; T183-Q187 PolarHBondContact O-N 3.49Å
184	I	77.7	Confident	70.8	Confident	74 Å²	74	103 Å²	103	38%	0.379	58%	0.577	S	S	.	*	H	α-helix	trans	-66.2	-41.4	176.7	-67.1	165.3	0	0	0	111.4	V180 D181 Q187 K188	V180-I184 HydrophobicContact CG1-CD1 4.16Å; V180-I184 WeakPolarHBondContact O-CD1 3.47Å; V180-I184 VanDerWaalsContact O-CG1 3.24Å; V180-I184 WeakPolarHBondContact O-CG1 3.37Å; V180-I184 PolarHBondContact O-N 2.95Å; D181-I184 PolarHBondContact O-N 3.35Å; I184-Q187 PolarHBondContact O-N 3.01Å; I184-K188 WeakPolarHBondContact O-CG 3.38Å; I184-K188 PolarHBondContact O-N 2.93Å
185	V	78.6	Confident	73.2	Confident	103 Å²	103	103.5 Å²	103.5	62%	0.624	57%	0.567	S	S	*	*	H	α-helix	trans	-66.1	-42.8	177.4	173.1	0	0	0	0	111.6	D181 S182 R189	D181-V185 WeakPolarHBondContact O-CG2 3.44Å; D181-V185 PolarHBondContact O-N 3.4Å; S182-V185 PolarHBondContact O-N 2.91Å; V185-R189 PolarHBondContact O-N 2.9Å
186	L	82.8	Confident	75.5	Confident	118 Å²	118	102.4 Å²	102.4	62%	0.618	55%	0.549	S	S	*	.	H	α-helix	trans	-65	-40.5	175.1	-77.5	171.3	0	0	0	111.9	S182 T183 R189 L190	S182-L186 WeakPolarHBondContact O-CB 3.48Å; S182-L186 WeakPolarHBondContact O-CG 3.43Å; S182-L186 PolarHBondContact O-N 2.69Å; T183-L186 PolarHBondContact O-N 3.17Å; L186-R189 PolarHBondContact O-N 2.9Å; L186-L190 WeakPolarHBondContact O-CB 3.31Å; L186-L190 PolarHBondContact O-N 2.88Å
187	Q	84.8	Confident	77.9	Confident	108 Å²	108	99.8 Å²	99.8	51%	0.505	54%	0.536	S	S	.	.	H	α-helix	trans	-62.9	-47.9	177.1	-175.9	178.6	-19.7	0	0	111.5	T183 I184 R189 L190 E191	T183-Q187 VanDerWaalsContact O-CB 3.26Å; T183-Q187 WeakPolarHBondContact O-CB 3.3Å; T183-Q187 PolarHBondContact O-N 3.49Å; I184-Q187 PolarHBondContact O-N 3.01Å; Q187-R189 VanDerWaalsContact C-N 3.29Å; Q187-R189 PolarHBondContact O-N 3.44Å; Q187-L190 WeakPolarHBondContact O-CB 3.43Å; Q187-L190 PolarHBondContact O-N 3.32Å; Q187-L190 VanDerWaalsContact O-N 3.1Å; Q187-E191 HydrophobicContact CG-CG 4.49Å; Q187-E191 WeakPolarHBondContact CG-OE1 3.41Å; Q187-E191 PolarHBondContact NE2-OE1 3.43Å; Q187-E191 WeakPolarHBondContact O-CG 3.35Å; Q187-E191 PolarHBondContact O-N 2.97Å
188	K	86.9	Confident	80	Confident	131 Å²	131	101.3 Å²	101.3	57%	0.57	54%	0.536	S	S	*	.	H	α-helix	trans	-58.8	-40.5	174.7	-76.3	-177.7	177.6	-179.1	0	112.2	I184 E191 T192	I184-K188 WeakPolarHBondContact O-CG 3.38Å; I184-K188 PolarHBondContact O-N 2.93Å; K188-E191 PolarHBondContact O-N 3.49Å; K188-T192 WeakPolarHBondContact O-CG2 3.35Å; K188-T192 PolarHBondContact O-N 3.38Å; K188-T192 PolarHBondContact O-OG1 3.39Å
189	R	88.6	Confident	82.1	Confident	170 Å²	170	101.4 Å²	101.4	64%	0.642	53%	0.525	S	S	*	.	H	α-helix	trans	-63.7	-42.6	175.4	-174.3	174.3	-179.1	169	0.7	111.4	V185 L186 Q187 T192 M193	V185-R189 PolarHBondContact O-N 2.9Å; L186-R189 PolarHBondContact O-N 2.9Å; Q187-R189 VanDerWaalsContact C-N 3.29Å; Q187-R189 PolarHBondContact O-N 3.44Å; R189-T192 WeakPolarHBondContact CA-OG1 3.12Å; R189-T192 PolarHBondContact O-N 2.98Å; R189-T192 PolarHBondContact O-OG1 2.81Å; R189-M193 WeakPolarHBondContact O-CG 3.38Å; R189-M193 PolarHBondContact O-N 2.95Å
190	L	90.2	Very high	83.9	Confident	106 Å²	106	100 Å²	100	56%	0.555	51%	0.509	S	S	*	.	H	α-helix	trans	-62.8	-45.8	176.4	-156.6	86.6	0	0	0	111.1	L186 Q187 T192 M193 V194	L186-L190 WeakPolarHBondContact O-CB 3.31Å; L186-L190 PolarHBondContact O-N 2.88Å; Q187-L190 WeakPolarHBondContact O-CB 3.43Å; Q187-L190 PolarHBondContact O-N 3.32Å; Q187-L190 VanDerWaalsContact O-N 3.1Å; L190-T192 PolarHBondContact O-N 3.2Å; L190-M193 HydrophobicContact CD1-CE 4.01Å; L190-M193 PolarHBondContact O-N 3.3Å; L190-M193 VanDerWaalsContact O-N 3.17Å; L190-V194 WeakPolarHBondContact O-CG2 3.44Å; L190-V194 PolarHBondContact O-N 3.46Å
191	E	89.2	Confident	85.8	Confident	89 Å²	89	97.8 Å²	97.8	42%	0.416	50%	0.501	S	S	.	.	H	α-helix	trans	-57	-49.1	175.6	-73.9	166.6	-176.5	0	0	110.8	Q187 K188 M193 V194 E195	Q187-E191 HydrophobicContact CG-CG 4.49Å; Q187-E191 WeakPolarHBondContact CG-OE1 3.41Å; Q187-E191 PolarHBondContact NE2-OE1 3.43Å; Q187-E191 WeakPolarHBondContact O-CG 3.35Å; Q187-E191 PolarHBondContact O-N 2.97Å; K188-E191 PolarHBondContact O-N 3.49Å; E191-M193 VanDerWaalsContact C-N 3.32Å; E191-M193 PolarHBondContact O-N 2.96Å; E191-V194 PolarHBondContact O-N 2.9Å; E191-E195 WeakPolarHBondContact O-CG 3.32Å; E191-E195 PolarHBondContact O-N 3.48Å
192	T	90.3	Very high	87.4	Confident	80 Å²	80	99.4 Å²	99.4	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-63	-33.9	176.9	56.8	0	0	0	0	113.6	K188 R189 L190 Q196	K188-T192 WeakPolarHBondContact O-CG2 3.35Å; K188-T192 PolarHBondContact O-N 3.38Å; K188-T192 PolarHBondContact O-OG1 3.39Å; R189-T192 WeakPolarHBondContact CA-OG1 3.12Å; R189-T192 PolarHBondContact O-N 2.98Å; R189-T192 PolarHBondContact O-OG1 2.81Å; L190-T192 PolarHBondContact O-N 3.2Å; T192-Q196 WeakPolarHBondContact O-CB 3.28Å; T192-Q196 PolarHBondContact O-N 2.96Å
193	M	91.5	Very high	88.9	Confident	92 Å²	92	100.5 Å²	100.5	45%	0.453	50%	0.5	S	S	.	.	H	α-helix	trans	-72.5	-37.7	175.2	-72.6	-170.7	-34.4	0	0	111.8	R189 L190 E191 Q196 L197	R189-M193 WeakPolarHBondContact O-CG 3.38Å; R189-M193 PolarHBondContact O-N 2.95Å; L190-M193 HydrophobicContact CD1-CE 4.01Å; L190-M193 PolarHBondContact O-N 3.3Å; L190-M193 VanDerWaalsContact O-N 3.17Å; E191-M193 VanDerWaalsContact C-N 3.32Å; E191-M193 PolarHBondContact O-N 2.96Å; M193-Q196 PolarHBondContact O-N 3.3Å; M193-L197 WeakPolarHBondContact O-CB 3.35Å; M193-L197 VanDerWaalsContact O-CG 3.28Å; M193-L197 WeakPolarHBondContact O-CG 3.49Å; M193-L197 PolarHBondContact O-N 3.09Å
194	V	92.5	Very high	89.9	Confident	67 Å²	67	100.5 Å²	100.5	41%	0.406	50%	0.5	S	S	.	.	H	α-helix	trans	-64.5	-47.1	175.5	171.2	0	0	0	0	109.7	L190 E191 Q196 L197 E198	L190-V194 WeakPolarHBondContact O-CG2 3.44Å; L190-V194 PolarHBondContact O-N 3.46Å; E191-V194 PolarHBondContact O-N 2.9Å; V194-Q196 VanDerWaalsContact C-N 3.28Å; V194-Q196 PolarHBondContact O-N 3.11Å; V194-L197 PolarHBondContact O-N 2.89Å; V194-E198 HydrophobicContact CG1-CG 4.35Å; V194-E198 WeakPolarHBondContact O-CB 3.41Å; V194-E198 WeakPolarHBondContact O-CG 3.43Å; V194-E198 PolarHBondContact O-N 3.13Å
195	E	91.2	Very high	90.6	Very high	125 Å²	125	103.2 Å²	103.2	58%	0.584	51%	0.511	S	S	*	.	H	α-helix	trans	-58	-40.1	174.9	-73	177.8	178.2	0	0	112.2	E191 K199	E191-E195 WeakPolarHBondContact O-CG 3.32Å; E191-E195 PolarHBondContact O-N 3.48Å; E195-K199 WeakPolarHBondContact O-CB 3.47Å; E195-K199 PolarHBondContact O-N 3.21Å
196	Q	91.9	Very high	91.3	Very high	91 Å²	91	100.9 Å²	100.9	43%	0.425	50%	0.499	S	S	.	.	H	α-helix	trans	-67.5	-43.4	176.1	-174.8	59.9	46.1	0	0	111.9	T192 M193 V194 E198 K199 D200	T192-Q196 WeakPolarHBondContact O-CB 3.28Å; T192-Q196 PolarHBondContact O-N 2.96Å; M193-Q196 PolarHBondContact O-N 3.3Å; V194-Q196 VanDerWaalsContact C-N 3.28Å; V194-Q196 PolarHBondContact O-N 3.11Å; Q196-E198 VanDerWaalsContact C-N 3.34Å; Q196-E198 PolarHBondContact O-N 3.38Å; Q196-K199 WeakPolarHBondContact O-CB 3.42Å; Q196-K199 PolarHBondContact O-N 2.88Å; Q196-D200 PolarHBondContact NE2-OD1 2.89Å; Q196-D200 VanDerWaalsContact O-CG 3.26Å; Q196-D200 PolarHBondContact O-N 2.86Å
197	L	93.9	Very high	91.9	Very high	117 Å²	117	99 Å²	99	61%	0.613	49%	0.492	S	S	*	.	H	α-helix	trans	-65.2	-37.9	176.5	-73.8	171.8	0	0	0	112	M193 V194 K199 D200 A201	M193-L197 WeakPolarHBondContact O-CB 3.35Å; M193-L197 VanDerWaalsContact O-CG 3.28Å; M193-L197 WeakPolarHBondContact O-CG 3.49Å; M193-L197 PolarHBondContact O-N 3.09Å; V194-L197 PolarHBondContact O-N 2.89Å; L197-K199 VanDerWaalsContact C-N 3.29Å; L197-K199 PolarHBondContact O-N 3.12Å; L197-D200 PolarHBondContact O-N 2.94Å; L197-A201 VanDerWaalsContact O-CB 3.27Å; L197-A201 WeakPolarHBondContact O-CB 3.46Å; L197-A201 PolarHBondContact O-N 3.34Å
198	E	93.3	Very high	92.3	Very high	111 Å²	111	99.6 Å²	99.6	52%	0.519	50%	0.495	S	S	.	.	H	α-helix	trans	-65.7	-33.6	173.2	-74.4	179.9	175.3	0	0	112	V194 Q196 R202	V194-E198 HydrophobicContact CG1-CG 4.35Å; V194-E198 WeakPolarHBondContact O-CB 3.41Å; V194-E198 WeakPolarHBondContact O-CG 3.43Å; V194-E198 PolarHBondContact O-N 3.13Å; Q196-E198 VanDerWaalsContact C-N 3.34Å; Q196-E198 PolarHBondContact O-N 3.38Å; E198-R202 WeakPolarHBondContact O-CG 3.37Å; E198-R202 PolarHBondContact O-N 3.1Å; E198-R202 PolarHBondContact O-NE 2.74Å; E198-R202 VanDerWaalsContact O-NE 3.1Å
199	K	94	Very high	92.7	Very high	99 Å²	99	95.6 Å²	95.6	43%	0.43	49%	0.487	S	S	.	.	H	α-helix	trans	-69.4	-47.8	172.4	-174.1	-177.2	174.3	-174.4	0	111.3	E195 Q196 L197 A201 R202 D203	E195-K199 WeakPolarHBondContact O-CB 3.47Å; E195-K199 PolarHBondContact O-N 3.21Å; Q196-K199 WeakPolarHBondContact O-CB 3.42Å; Q196-K199 PolarHBondContact O-N 2.88Å; L197-K199 VanDerWaalsContact C-N 3.29Å; L197-K199 PolarHBondContact O-N 3.12Å; K199-A201 VanDerWaalsContact C-N 3.31Å; K199-A201 PolarHBondContact O-N 2.98Å; K199-R202 WeakPolarHBondContact O-CB 3.38Å; K199-R202 PolarHBondContact O-N 3.39Å; K199-R202 VanDerWaalsContact O-N 3.17Å; K199-D203 PolarHBondContact O-N 3.34Å
200	D	94.6	Very high	92.9	Very high	71 Å²	71	91.7 Å²	91.7	38%	0.38	48%	0.478	S	S	.	.	H	α-helix	trans	-63.5	-37.9	179.4	-66	-14.1	0	0	0	111.3	Q196 L197 D203 V204	Q196-D200 PolarHBondContact NE2-OD1 2.89Å; Q196-D200 VanDerWaalsContact O-CG 3.26Å; Q196-D200 PolarHBondContact O-N 2.86Å; L197-D200 PolarHBondContact O-N 2.94Å; D200-D203 PolarHBondContact O-N 2.91Å; D200-V204 WeakPolarHBondContact O-CB 3.24Å; D200-V204 VanDerWaalsContact O-CG2 3.29Å; D200-V204 WeakPolarHBondContact O-CG2 3.33Å; D200-V204 PolarHBondContact O-N 3.48Å
201	A	93.7	Very high	93.1	Very high	51 Å²	51	91.5 Å²	91.5	42%	0.421	48%	0.477	S	S	.	.	H	α-helix	trans	-61	-44.9	173.5	0	0	0	0	0	111.8	L197 K199 D203 V204 E205	L197-A201 VanDerWaalsContact O-CB 3.27Å; L197-A201 WeakPolarHBondContact O-CB 3.46Å; L197-A201 PolarHBondContact O-N 3.34Å; K199-A201 VanDerWaalsContact C-N 3.31Å; K199-A201 PolarHBondContact O-N 2.98Å; A201-D203 PolarHBondContact O-N 2.8Å; A201-V204 PolarHBondContact O-N 2.86Å; A201-E205 WeakPolarHBondContact O-CG 3.21Å; A201-E205 PolarHBondContact O-N 2.83Å
202	R	93.4	Very high	93.3	Very high	150 Å²	150	90 Å²	90	57%	0.566	48%	0.479	S	S	*	.	H	α-helix	trans	-62.5	-41.1	174.2	-76.6	-179.7	-74.3	134.9	-12.1	112.2	E198 K199 E205 S206	E198-R202 WeakPolarHBondContact O-CG 3.37Å; E198-R202 PolarHBondContact O-N 3.1Å; E198-R202 PolarHBondContact O-NE 2.74Å; E198-R202 VanDerWaalsContact O-NE 3.1Å; K199-R202 WeakPolarHBondContact O-CB 3.38Å; K199-R202 PolarHBondContact O-N 3.39Å; K199-R202 VanDerWaalsContact O-N 3.17Å; R202-E205 PolarHBondContact O-N 3.29Å; R202-S206 WeakPolarHBondContact O-CB 3.45Å; R202-S206 PolarHBondContact O-N 2.91Å
203	D	93.9	Very high	93.6	Very high	78 Å²	78	93.3 Å²	93.3	42%	0.417	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-41.3	178.3	-71.3	-16.1	0	0	0	110.8	K199 D200 A201 S206 V207	K199-D203 PolarHBondContact O-N 3.34Å; D200-D203 PolarHBondContact O-N 2.91Å; A201-D203 PolarHBondContact O-N 2.8Å; D203-S206 WeakPolarHBondContact O-CB 3.45Å; D203-S206 PolarHBondContact O-N 3.27Å; D203-S206 PolarHBondContact O-OG 3.33Å; D203-V207 WeakPolarHBondContact O-CG2 3.27Å; D203-V207 PolarHBondContact O-N 2.74Å
204	V	94.8	Very high	93.8	Very high	80 Å²	80	95 Å²	95	49%	0.485	49%	0.492	S	S	.	.	H	α-helix	trans	-63.1	-45.2	174.6	170	0	0	0	0	111.8	D200 A201 S206 V207 Q208	D200-V204 WeakPolarHBondContact O-CB 3.24Å; D200-V204 VanDerWaalsContact O-CG2 3.29Å; D200-V204 WeakPolarHBondContact O-CG2 3.33Å; D200-V204 PolarHBondContact O-N 3.48Å; A201-V204 PolarHBondContact O-N 2.86Å; V204-S206 VanDerWaalsContact C-N 3.28Å; V204-S206 PolarHBondContact O-N 2.85Å; V204-V207 PolarHBondContact O-N 2.99Å; V204-Q208 HydrophobicContact CG1-CG 4.36Å; V204-Q208 WeakPolarHBondContact O-CB 3.37Å; V204-Q208 WeakPolarHBondContact O-CG 3.35Å; V204-Q208 PolarHBondContact O-N 3.49Å
205	E	93	Very high	93.9	Very high	130 Å²	130	94.8 Å²	94.8	61%	0.607	49%	0.493	S	S	*	.	H	α-helix	trans	-59.1	-40.8	174.8	-75.8	178.7	-177.2	0	0	111.4	A201 R202 V207 Q208 A209	A201-E205 WeakPolarHBondContact O-CG 3.21Å; A201-E205 PolarHBondContact O-N 2.83Å; R202-E205 PolarHBondContact O-N 3.29Å; E205-V207 PolarHBondContact O-N 2.84Å; E205-Q208 PolarHBondContact O-N 3.44Å; E205-A209 WeakPolarHBondContact O-CB 3.29Å; E205-A209 PolarHBondContact O-N 2.85Å
206	S	92.8	Very high	94	Very high	55 Å²	55	91.5 Å²	91.5	39%	0.385	49%	0.488	S	S	.	.	H	α-helix	trans	-63.2	-42.2	176.7	85.7	0	0	0	0	112.2	R202 D203 V204 A209 I210	R202-S206 WeakPolarHBondContact O-CB 3.45Å; R202-S206 PolarHBondContact O-N 2.91Å; D203-S206 WeakPolarHBondContact O-CB 3.45Å; D203-S206 PolarHBondContact O-N 3.27Å; D203-S206 PolarHBondContact O-OG 3.33Å; V204-S206 VanDerWaalsContact C-N 3.28Å; V204-S206 PolarHBondContact O-N 2.85Å; S206-A209 PolarHBondContact O-N 3.28Å; S206-I210 VanDerWaalsContact O-CG1 3.3Å; S206-I210 WeakPolarHBondContact O-CG1 3.47Å; S206-I210 PolarHBondContact O-N 2.78Å
207	V	95.1	Very high	94.2	Very high	78 Å²	78	92.7 Å²	92.7	47%	0.473	50%	0.496	S	S	.	.	H	α-helix	trans	-68.1	-41.5	177.4	171.7	0	0	0	0	110.8	D203 V204 E205 A209 I210 L211	D203-V207 WeakPolarHBondContact O-CG2 3.27Å; D203-V207 PolarHBondContact O-N 2.74Å; V204-V207 PolarHBondContact O-N 2.99Å; E205-V207 PolarHBondContact O-N 2.84Å; V207-A209 VanDerWaalsContact C-N 3.33Å; V207-A209 PolarHBondContact O-N 3.37Å; V207-I210 PolarHBondContact O-N 2.65Å; V207-L211 HydrophobicContact CG1-CD1 4.04Å; V207-L211 HydrophobicContact CG1-CG 4.34Å; V207-L211 WeakPolarHBondContact O-CB 3.39Å; V207-L211 WeakPolarHBondContact O-CG 3.42Å; V207-L211 PolarHBondContact O-N 3.29Å
208	Q	94.1	Very high	94.2	Very high	120 Å²	120	92.5 Å²	92.5	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-60.7	-42.2	174.6	-74.7	-179.8	-0.2	0	0	111.5	V204 E205 I210 L211 A212	V204-Q208 HydrophobicContact CG1-CG 4.36Å; V204-Q208 WeakPolarHBondContact O-CB 3.37Å; V204-Q208 WeakPolarHBondContact O-CG 3.35Å; V204-Q208 PolarHBondContact O-N 3.49Å; E205-Q208 PolarHBondContact O-N 3.44Å; Q208-I210 PolarHBondContact O-N 2.85Å; Q208-L211 PolarHBondContact O-N 3.14Å; Q208-A212 WeakPolarHBondContact O-CB 3.46Å; Q208-A212 PolarHBondContact O-N 2.95Å
209	A	93.7	Very high	94.2	Very high	48 Å²	48	93.8 Å²	93.8	40%	0.397	50%	0.501	S	S	.	.	H	α-helix	trans	-64	-39.4	175.4	0	0	0	0	0	112.3	E205 S206 V207 K213	E205-A209 WeakPolarHBondContact O-CB 3.29Å; E205-A209 PolarHBondContact O-N 2.85Å; S206-A209 PolarHBondContact O-N 3.28Å; V207-A209 VanDerWaalsContact C-N 3.33Å; V207-A209 PolarHBondContact O-N 3.37Å; A209-K213 VanDerWaalsContact O-CG 3.31Å; A209-K213 WeakPolarHBondContact O-CG 3.34Å; A209-K213 PolarHBondContact O-N 3.32Å
210	I	94.6	Very high	94.2	Very high	88 Å²	88	91.9 Å²	91.9	45%	0.451	50%	0.501	S	S	.	.	H	α-helix	trans	-65.9	-43.6	174.7	-68	165	0	0	0	110.8	S206 V207 Q208 K213 K214	S206-I210 VanDerWaalsContact O-CG1 3.3Å; S206-I210 WeakPolarHBondContact O-CG1 3.47Å; S206-I210 PolarHBondContact O-N 2.78Å; V207-I210 PolarHBondContact O-N 2.65Å; Q208-I210 PolarHBondContact O-N 2.85Å; I210-K213 PolarHBondContact O-N 3.45Å; I210-K214 HydrophobicContact CG2-CD 4.32Å; I210-K214 WeakPolarHBondContact O-CG 3.34Å; I210-K214 PolarHBondContact O-N 3.02Å
211	L	93.6	Very high	94.3	Very high	102 Å²	102	93.6 Å²	93.6	53%	0.534	51%	0.506	S	S	.	.	H	α-helix	trans	-64.5	-42.6	178.1	-73.9	175.5	0	0	0	111.8	V207 Q208 K213 K214 S215	V207-L211 HydrophobicContact CG1-CD1 4.04Å; V207-L211 HydrophobicContact CG1-CG 4.34Å; V207-L211 WeakPolarHBondContact O-CB 3.39Å; V207-L211 WeakPolarHBondContact O-CG 3.42Å; V207-L211 PolarHBondContact O-N 3.29Å; Q208-L211 PolarHBondContact O-N 3.14Å; L211-K213 VanDerWaalsContact C-N 3.34Å; L211-K213 PolarHBondContact O-N 3.3Å; L211-K214 PolarHBondContact O-N 3.4Å; L211-S215 PolarHBondContact O-N 2.94Å; L211-S215 PolarHBondContact O-OG 3.37Å
212	A	94.4	Very high	94.3	Very high	57 Å²	57	97.2 Å²	97.2	47%	0.471	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-39.4	175.2	0	0	0	0	0	112.2	Q208 S215 A216	Q208-A212 WeakPolarHBondContact O-CB 3.46Å; Q208-A212 PolarHBondContact O-N 2.95Å; A212-S215 WeakPolarHBondContact CA-OG 3.41Å; A212-S215 PolarHBondContact O-OG 2.93Å; A212-A216 WeakPolarHBondContact O-CB 3.13Å; A212-A216 PolarHBondContact O-N 3.27Å
213	K	95.1	Very high	94.3	Very high	150 Å²	150	93.4 Å²	93.4	65%	0.652	51%	0.506	S	S	*	.	H	α-helix	trans	-64.5	-43.2	172.9	-75.2	175.7	-178.6	179.5	0	111.9	A209 I210 L211 L217	A209-K213 VanDerWaalsContact O-CG 3.31Å; A209-K213 WeakPolarHBondContact O-CG 3.34Å; A209-K213 PolarHBondContact O-N 3.32Å; I210-K213 PolarHBondContact O-N 3.45Å; L211-K213 VanDerWaalsContact C-N 3.34Å; L211-K213 PolarHBondContact O-N 3.3Å; K213-L217 PolarHBondContact O-N 3.45Å
214	K	95.8	Very high	94.4	Very high	128 Å²	128	95.1 Å²	95.1	56%	0.557	51%	0.511	S	S	*	.	H	α-helix	trans	-66	-39.9	176.9	-75.9	-177	177.8	-178.4	0	112.3	I210 L211 L217 L218	I210-K214 HydrophobicContact CG2-CD 4.32Å; I210-K214 WeakPolarHBondContact O-CG 3.34Å; I210-K214 PolarHBondContact O-N 3.02Å; L211-K214 PolarHBondContact O-N 3.4Å; K214-L217 PolarHBondContact O-N 2.92Å; K214-L218 WeakPolarHBondContact O-CG 3.5Å; K214-L218 PolarHBondContact O-N 3.08Å
215	S	94.5	Very high	94.4	Very high	61 Å²	61	96 Å²	96	43%	0.427	51%	0.513	S	S	.	.	H	α-helix	trans	-66.3	-41.9	176.9	63.6	0	0	0	0	111.5	L211 A212 L217 L218 E219	L211-S215 PolarHBondContact O-N 2.94Å; L211-S215 PolarHBondContact O-OG 3.37Å; A212-S215 WeakPolarHBondContact CA-OG 3.41Å; A212-S215 PolarHBondContact O-OG 2.93Å; S215-L217 PolarHBondContact O-N 2.99Å; S215-L218 PolarHBondContact O-N 2.8Å; S215-E219 WeakPolarHBondContact O-CG 3.43Å; S215-E219 PolarHBondContact O-N 3.36Å
216	A	94.4	Very high	94.5	Very high	57 Å²	57	94.8 Å²	94.8	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-39.9	175.1	0	0	0	0	0	112.4	A212 E219 S220	A212-A216 WeakPolarHBondContact O-CB 3.13Å; A212-A216 PolarHBondContact O-N 3.27Å; A216-E219 PolarHBondContact O-N 3.06Å; A216-S220 PolarHBondContact O-N 3.41Å
217	L	95.2	Very high	94.6	Very high	116 Å²	116	98.9 Å²	98.9	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-62.7	-48.2	173.8	-82.8	168.7	0	0	0	111.9	K213 K214 S215 E219 S220 E221	K213-L217 PolarHBondContact O-N 3.45Å; K214-L217 PolarHBondContact O-N 2.92Å; S215-L217 PolarHBondContact O-N 2.99Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-E219 PolarHBondContact O-N 3.09Å; L217-S220 PolarHBondContact O-N 3.39Å; L217-S220 VanDerWaalsContact O-N 3.17Å; L217-S220 PolarHBondContact O-OG 2.74Å; L217-E221 PolarHBondContact O-N 2.79Å
218	L	94.5	Very high	94.6	Very high	113 Å²	113	99.8 Å²	99.8	59%	0.592	52%	0.517	S	S	*	.	H	α-helix	trans	-62.5	-37.9	177.8	-74.5	171.9	0	0	0	112.6	K214 S215 K222	K214-L218 WeakPolarHBondContact O-CG 3.5Å; K214-L218 PolarHBondContact O-N 3.08Å; S215-L218 PolarHBondContact O-N 2.8Å; L218-K222 VanDerWaalsContact O-CB 3.28Å; L218-K222 WeakPolarHBondContact O-CB 3.43Å; L218-K222 PolarHBondContact O-N 2.87Å
219	E	93.8	Very high	94.6	Very high	137 Å²	137	100.5 Å²	100.5	64%	0.64	52%	0.518	S	S	*	.	H	α-helix	trans	-65.4	-42.1	173.7	-76.3	-172.2	162.8	0	0	111.4	S215 A216 L217 K222 T223	S215-E219 WeakPolarHBondContact O-CG 3.43Å; S215-E219 PolarHBondContact O-N 3.36Å; A216-E219 PolarHBondContact O-N 3.06Å; L217-E219 VanDerWaalsContact C-N 3.33Å; L217-E219 PolarHBondContact O-N 3.09Å; E219-K222 PolarHBondContact O-N 2.75Å; E219-T223 WeakPolarHBondContact O-CG2 3.25Å; E219-T223 PolarHBondContact O-N 2.78Å; E219-T223 PolarHBondContact O-OG1 2.68Å
220	S	94.4	Very high	94.7	Very high	60 Å²	60	100.7 Å²	100.7	42%	0.42	52%	0.52	S	S	.	.	H	α-helix	trans	-62.5	-44.6	175.7	73.5	0	0	0	0	112.3	A216 L217 T223 Q224	A216-S220 PolarHBondContact O-N 3.41Å; L217-S220 PolarHBondContact O-N 3.39Å; L217-S220 VanDerWaalsContact O-N 3.17Å; L217-S220 PolarHBondContact O-OG 2.74Å; S220-T223 PolarHBondContact O-N 2.77Å; S220-T223 PolarHBondContact O-OG1 2.79Å; S220-Q224 PolarHBondContact O-N 2.73Å
221	E	95.3	Very high	94.7	Very high	107 Å²	107	101.6 Å²	101.6	50%	0.5	53%	0.526	S	S	.	.	H	α-helix	trans	-63.7	-42.1	176.8	-174.6	177.8	-171.6	0	0	111.4	L217 T223 Q224 L225	L217-E221 PolarHBondContact O-N 2.79Å; E221-T223 PolarHBondContact O-N 2.8Å; E221-Q224 WeakPolarHBondContact O-CB 3.35Å; E221-Q224 PolarHBondContact O-N 2.82Å; E221-L225 HydrophobicContact CG-CD1 4.37Å; E221-L225 WeakPolarHBondContact O-CG 3.48Å; E221-L225 PolarHBondContact O-N 2.86Å
222	K	95	Very high	94.8	Very high	127 Å²	127	103.2 Å²	103.2	55%	0.552	53%	0.529	S	S	*	.	H	α-helix	trans	-59.6	-47.6	174.7	-175.9	-173.5	172.6	-160.6	0	111.7	L218 E219 Q224 L225 E226	L218-K222 VanDerWaalsContact O-CB 3.28Å; L218-K222 WeakPolarHBondContact O-CB 3.43Å; L218-K222 PolarHBondContact O-N 2.87Å; E219-K222 PolarHBondContact O-N 2.75Å; K222-Q224 VanDerWaalsContact C-N 3.25Å; K222-Q224 PolarHBondContact O-N 2.72Å; K222-L225 PolarHBondContact O-N 3.41Å; K222-E226 WeakPolarHBondContact CE-OE1 3.45Å; K222-E226 IonicContact NZ-OE1 3.75Å; K222-E226 WeakPolarHBondContact O-CG 3.18Å; K222-E226 PolarHBondContact O-N 3.16Å
223	T	93.4	Very high	94.7	Very high	69 Å²	69	105.3 Å²	105.3	42%	0.423	53%	0.529	S	S	.	.	H	α-helix	trans	-66.1	-29.9	178.1	63.6	0	0	0	0	112.6	E219 S220 E221 K227	E219-T223 WeakPolarHBondContact O-CG2 3.25Å; E219-T223 PolarHBondContact O-N 2.78Å; E219-T223 PolarHBondContact O-OG1 2.68Å; S220-T223 PolarHBondContact O-N 2.77Å; S220-T223 PolarHBondContact O-OG1 2.79Å; E221-T223 PolarHBondContact O-N 2.8Å; T223-K227 WeakPolarHBondContact O-CG 3.33Å; T223-K227 PolarHBondContact O-N 2.73Å
224	Q	95.1	Very high	94.8	Very high	114 Å²	114	104.1 Å²	104.1	53%	0.533	52%	0.524	S	S	.	.	H	α-helix	trans	-68.6	-47.9	173.7	-178.3	175.8	-10.3	0	0	111	S220 E221 K222 E226 K227 E228	S220-Q224 PolarHBondContact O-N 2.73Å; E221-Q224 WeakPolarHBondContact O-CB 3.35Å; E221-Q224 PolarHBondContact O-N 2.82Å; K222-Q224 VanDerWaalsContact C-N 3.25Å; K222-Q224 PolarHBondContact O-N 2.72Å; Q224-E226 VanDerWaalsContact C-N 3.31Å; Q224-E226 PolarHBondContact O-N 2.8Å; Q224-K227 WeakPolarHBondContact O-CB 3.45Å; Q224-K227 PolarHBondContact O-N 2.79Å; Q224-K227 VanDerWaalsContact O-N 3.13Å; Q224-E228 HydrophobicContact CG-CG 4.5Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.27Å; Q224-E228 PolarHBondContact NE2-OE1 2.81Å; Q224-E228 WeakPolarHBondContact O-CG 3.27Å; Q224-E228 PolarHBondContact O-N 2.79Å
225	L	95.1	Very high	94.7	Very high	98 Å²	98	103.2 Å²	103.2	51%	0.513	52%	0.522	S	S	.	.	H	α-helix	trans	-62.3	-36.3	177	-71.2	173.8	0	0	0	112.6	E221 K222 K227 E228 K229	E221-L225 HydrophobicContact CG-CD1 4.37Å; E221-L225 WeakPolarHBondContact O-CG 3.48Å; E221-L225 PolarHBondContact O-N 2.86Å; K222-L225 PolarHBondContact O-N 3.41Å; L225-K227 VanDerWaalsContact C-N 3.35Å; L225-E228 PolarHBondContact O-N 2.93Å; L225-K229 WeakPolarHBondContact O-CB 3.33Å; L225-K229 PolarHBondContact O-N 2.93Å
226	E	94.6	Very high	94.7	Very high	105 Å²	105	107.2 Å²	107.2	49%	0.491	53%	0.531	S	S	.	.	H	α-helix	trans	-64.3	-38.4	174.2	-76.2	174.7	175.2	0	0	112.1	K222 Q224 A230	K222-E226 WeakPolarHBondContact CE-OE1 3.45Å; K222-E226 IonicContact NZ-OE1 3.75Å; K222-E226 WeakPolarHBondContact O-CG 3.18Å; K222-E226 PolarHBondContact O-N 3.16Å; Q224-E226 VanDerWaalsContact C-N 3.31Å; Q224-E226 PolarHBondContact O-N 2.8Å; E226-A230 PolarHBondContact O-N 2.78Å; E226-A230 VanDerWaalsContact O-N 3.12Å
227	K	95.6	Very high	94.7	Very high	142 Å²	142	109.8 Å²	109.8	62%	0.617	53%	0.533	S	S	*	.	H	α-helix	trans	-67.6	-47.5	173.6	-72.9	172.8	-177.8	175.8	0	111.7	T223 Q224 L225 K229 A230 D231	T223-K227 WeakPolarHBondContact O-CG 3.33Å; T223-K227 PolarHBondContact O-N 2.73Å; Q224-K227 WeakPolarHBondContact O-CB 3.45Å; Q224-K227 PolarHBondContact O-N 2.79Å; Q224-K227 VanDerWaalsContact O-N 3.13Å; L225-K227 VanDerWaalsContact C-N 3.35Å; K227-K229 VanDerWaalsContact C-N 3.27Å; K227-K229 PolarHBondContact O-N 2.91Å; K227-A230 PolarHBondContact O-N 2.94Å; K227-A230 VanDerWaalsContact O-N 3.1Å; K227-D231 PolarHBondContact O-N 3.04Å
228	E	95.1	Very high	94.7	Very high	97 Å²	97	109.3 Å²	109.3	45%	0.453	53%	0.528	S	S	.	.	H	α-helix	trans	-59.8	-38.7	177.9	-72.5	175.6	-169.8	0	0	111.6	Q224 L225 D231 F232	Q224-E228 HydrophobicContact CG-CG 4.5Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.27Å; Q224-E228 PolarHBondContact NE2-OE1 2.81Å; Q224-E228 WeakPolarHBondContact O-CG 3.27Å; Q224-E228 PolarHBondContact O-N 2.79Å; L225-E228 PolarHBondContact O-N 2.93Å; E228-D231 PolarHBondContact O-N 3.15Å; E228-F232 WeakPolarHBondContact O-CB 3.37Å; E228-F232 PolarHBondContact O-N 2.84Å
229	K	94.1	Very high	94.7	Very high	134 Å²	134	108.8 Å²	108.8	58%	0.583	52%	0.523	S	S	*	.	H	α-helix	trans	-63.2	-44.9	173.5	-175.1	-174.6	172.9	-168.5	0	112.1	L225 K227 F232 E233	L225-K229 WeakPolarHBondContact O-CB 3.33Å; L225-K229 PolarHBondContact O-N 2.93Å; K227-K229 VanDerWaalsContact C-N 3.27Å; K227-K229 PolarHBondContact O-N 2.91Å; K229-F232 PolarHBondContact O-N 2.87Å; K229-E233 WeakPolarHBondContact CE-OE1 3.35Å; K229-E233 WeakPolarHBondContact O-CG 3.22Å; K229-E233 PolarHBondContact O-N 2.87Å
230	A	95.6	Very high	94.7	Very high	53 Å²	53	107.8 Å²	107.8	44%	0.438	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-39.7	178.5	0	0	0	0	0	112	E226 K227 E233 K234	E226-A230 PolarHBondContact O-N 2.78Å; E226-A230 VanDerWaalsContact O-N 3.12Å; K227-A230 PolarHBondContact O-N 2.94Å; K227-A230 VanDerWaalsContact O-N 3.1Å; A230-E233 PolarHBondContact O-N 2.94Å; A230-K234 PolarHBondContact O-N 2.63Å
231	D	94.9	Very high	94.8	Very high	106 Å²	106	111.1 Å²	111.1	57%	0.567	53%	0.528	S	S	*	.	H	α-helix	trans	-64.9	-42.5	175.6	-71.5	-25.2	0	0	0	111.3	K227 E228 K234 E235	K227-D231 PolarHBondContact O-N 3.04Å; E228-D231 PolarHBondContact O-N 3.15Å; D231-K234 PolarHBondContact O-N 2.93Å; D231-E235 PolarHBondContact O-N 3.01Å
232	F	94.9	Very high	94.7	Very high	137 Å²	137	109 Å²	109	60%	0.601	53%	0.525	S	S	*	.	H	α-helix	trans	-63.3	-40.4	175.1	-176.7	-97.4	0	0	0	112.7	E228 K229 E235 K236	E228-F232 WeakPolarHBondContact O-CB 3.37Å; E228-F232 PolarHBondContact O-N 2.84Å; K229-F232 PolarHBondContact O-N 2.87Å; F232-E235 PolarHBondContact O-N 3.24Å; F232-K236 WeakPolarHBondContact O-CB 3.42Å; F232-K236 PolarHBondContact O-N 2.83Å
233	E	93.2	Very high	94.7	Very high	100 Å²	100	106.4 Å²	106.4	47%	0.467	52%	0.517	S	S	.	.	H	α-helix	trans	-63.9	-41	175.3	-77	176.7	-178.3	0	0	111.7	K229 A230 K236 E237	K229-E233 WeakPolarHBondContact CE-OE1 3.35Å; K229-E233 WeakPolarHBondContact O-CG 3.22Å; K229-E233 PolarHBondContact O-N 2.87Å; A230-E233 PolarHBondContact O-N 2.94Å; E233-K236 PolarHBondContact O-N 3.49Å; E233-E237 PolarHBondContact O-N 2.91Å
234	K	95.5	Very high	94.7	Very high	125 Å²	125	107.1 Å²	107.1	54%	0.543	52%	0.518	S	S	.	.	H	α-helix	trans	-64.1	-45.6	175.3	-173.1	-176.6	174	-169.2	0	112	A230 D231 K236 E237 E238	A230-K234 PolarHBondContact O-N 2.63Å; D231-K234 PolarHBondContact O-N 2.93Å; K234-K236 VanDerWaalsContact C-N 3.32Å; K234-K236 PolarHBondContact O-N 3.08Å; K234-E237 PolarHBondContact O-N 3.07Å; K234-E238 VanDerWaalsContact CE-OE1 3.25Å; K234-E238 WeakPolarHBondContact CE-OE1 3.33Å; K234-E238 WeakPolarHBondContact O-CG 3.31Å; K234-E238 PolarHBondContact O-N 3.32Å
235	E	94.1	Very high	94.7	Very high	110 Å²	110	104.9 Å²	104.9	51%	0.514	52%	0.515	S	S	.	.	H	α-helix	trans	-60.7	-43.1	175.9	-175.4	177.2	-175.4	0	0	111.1	D231 F232 E237 E238 Q239	D231-E235 PolarHBondContact O-N 3.01Å; F232-E235 PolarHBondContact O-N 3.24Å; E235-E237 VanDerWaalsContact C-N 3.35Å; E235-E237 PolarHBondContact O-N 2.92Å; E235-E238 PolarHBondContact O-N 2.93Å; E235-Q239 HydrophobicContact CG-CG 4.41Å; E235-Q239 WeakPolarHBondContact O-CB 3.33Å; E235-Q239 VanDerWaalsContact O-CG 3.27Å; E235-Q239 WeakPolarHBondContact O-CG 3.5Å; E235-Q239 PolarHBondContact O-N 3.05Å
236	K	95.5	Very high	94.5	Very high	144 Å²	144	105.7 Å²	105.7	63%	0.626	52%	0.516	S	S	*	.	H	α-helix	trans	-59.2	-43.2	175.4	-179.7	-174.1	174.4	-173.9	0	112.1	F232 E233 K234 L240	F232-K236 WeakPolarHBondContact O-CB 3.42Å; F232-K236 PolarHBondContact O-N 2.83Å; E233-K236 PolarHBondContact O-N 3.49Å; K234-K236 VanDerWaalsContact C-N 3.32Å; K234-K236 PolarHBondContact O-N 3.08Å; K236-L240 WeakPolarHBondContact O-CB 3.46Å; K236-L240 PolarHBondContact O-N 3.38Å
237	E	94.8	Very high	94.5	Very high	111 Å²	111	108.2 Å²	108.2	52%	0.519	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-41.5	176.2	-77.7	-170.2	-168.6	0	0	112.8	E233 K234 E235 L240 K241	E233-E237 PolarHBondContact O-N 2.91Å; K234-E237 PolarHBondContact O-N 3.07Å; E235-E237 VanDerWaalsContact C-N 3.35Å; E235-E237 PolarHBondContact O-N 2.92Å; E237-L240 PolarHBondContact O-N 3.45Å; E237-K241 WeakPolarHBondContact O-CB 3.16Å; E237-K241 VanDerWaalsContact O-CG 3.26Å; E237-K241 WeakPolarHBondContact O-CG 3.43Å; E237-K241 PolarHBondContact O-N 3.42Å; E237-K241 IonicContact OE2-NZ 2.66Å; E237-K241 PolarHBondContact OE2-NZ 3.48Å
238	E	94.1	Very high	94.5	Very high	106 Å²	106	106.4 Å²	106.4	50%	0.495	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-43.3	177.3	-72.8	176.7	-173.6	0	0	111.1	K234 E235 L240 K241 S242	K234-E238 VanDerWaalsContact CE-OE1 3.25Å; K234-E238 WeakPolarHBondContact CE-OE1 3.33Å; K234-E238 WeakPolarHBondContact O-CG 3.31Å; K234-E238 PolarHBondContact O-N 3.32Å; E235-E238 PolarHBondContact O-N 2.93Å; E238-L240 PolarHBondContact O-N 2.88Å; E238-K241 PolarHBondContact O-N 3.26Å; E238-S242 WeakPolarHBondContact O-CB 3.34Å; E238-S242 PolarHBondContact O-N 3.23Å
239	Q	93.6	Very high	94.5	Very high	103 Å²	103	107.3 Å²	107.3	48%	0.481	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-42.4	173	-70.4	-68.7	-6	0	0	111.6	E235 K241 S242 I243	E235-Q239 HydrophobicContact CG-CG 4.41Å; E235-Q239 WeakPolarHBondContact O-CB 3.33Å; E235-Q239 VanDerWaalsContact O-CG 3.27Å; E235-Q239 WeakPolarHBondContact O-CG 3.5Å; E235-Q239 PolarHBondContact O-N 3.05Å; Q239-K241 PolarHBondContact O-N 2.99Å; Q239-S242 WeakPolarHBondContact O-CB 3.47Å; Q239-S242 PolarHBondContact O-N 3.26Å; Q239-I243 WeakPolarHBondContact O-CB 3.2Å; Q239-I243 VanDerWaalsContact O-CG1 3.25Å; Q239-I243 WeakPolarHBondContact O-CG1 3.44Å; Q239-I243 PolarHBondContact O-N 2.88Å
240	L	94.3	Very high	94.4	Very high	116 Å²	116	104.4 Å²	104.4	61%	0.607	51%	0.508	S	S	*	.	H	α-helix	trans	-65.8	-39.6	177.5	-169.3	67	0	0	0	112	K236 E237 E238 N244	K236-L240 WeakPolarHBondContact O-CB 3.46Å; K236-L240 PolarHBondContact O-N 3.38Å; E237-L240 PolarHBondContact O-N 3.45Å; E238-L240 PolarHBondContact O-N 2.88Å; L240-N244 WeakPolarHBondContact O-CB 3.46Å; L240-N244 PolarHBondContact O-N 3.4Å
241	K	96	Very high	94.3	Very high	129 Å²	129	109.4 Å²	109.4	56%	0.561	52%	0.515	S	S	*	.	H	α-helix	trans	-63.6	-42.3	173.9	-74.2	164.6	-173.9	155.8	0	111.1	E237 E238 Q239 N244 S245	E237-K241 WeakPolarHBondContact O-CB 3.16Å; E237-K241 VanDerWaalsContact O-CG 3.26Å; E237-K241 WeakPolarHBondContact O-CG 3.43Å; E237-K241 PolarHBondContact O-N 3.42Å; E237-K241 IonicContact OE2-NZ 2.66Å; E237-K241 PolarHBondContact OE2-NZ 3.48Å; E238-K241 PolarHBondContact O-N 3.26Å; Q239-K241 PolarHBondContact O-N 2.99Å; K241-N244 PolarHBondContact O-N 2.96Å; K241-S245 PolarHBondContact O-N 3.11Å; K241-S245 PolarHBondContact O-OG 2.82Å
242	S	93.9	Very high	94.3	Very high	64 Å²	64	110.5 Å²	110.5	45%	0.448	52%	0.517	S	S	.	.	H	α-helix	trans	-62.7	-48.6	175.5	-172.4	0	0	0	0	112	E238 Q239 N244 S245 E246	E238-S242 WeakPolarHBondContact O-CB 3.34Å; E238-S242 PolarHBondContact O-N 3.23Å; Q239-S242 WeakPolarHBondContact O-CB 3.47Å; Q239-S242 PolarHBondContact O-N 3.26Å; S242-N244 VanDerWaalsContact C-N 3.28Å; S242-N244 PolarHBondContact O-N 3.32Å; S242-S245 PolarHBondContact O-N 3.08Å; S242-S245 PolarHBondContact O-OG 2.89Å; S242-E246 WeakPolarHBondContact O-CB 3.22Å; S242-E246 PolarHBondContact O-N 2.84Å
243	I	94.5	Very high	94.2	Very high	72 Å²	72	107.8 Å²	107.8	37%	0.369	51%	0.506	S	S	.	.	H	α-helix	trans	-60.9	-39	176.1	-69.6	165.8	0	0	0	110.9	Q239 R247	Q239-I243 WeakPolarHBondContact O-CB 3.2Å; Q239-I243 VanDerWaalsContact O-CG1 3.25Å; Q239-I243 WeakPolarHBondContact O-CG1 3.44Å; Q239-I243 PolarHBondContact O-N 2.88Å; I243-R247 HydrophobicContact CG2-CG 4.4Å; I243-R247 WeakPolarHBondContact O-CB 3.4Å; I243-R247 WeakPolarHBondContact O-CG 3.45Å; I243-R247 PolarHBondContact O-N 2.74Å
244	N	94.1	Very high	94.1	Very high	83 Å²	83	108.4 Å²	108.4	44%	0.444	51%	0.509	S	S	.	.	H	α-helix	trans	-69.5	-39.2	179.1	-170	49.4	0	0	0	112.4	L240 K241 S242 R247 Q248	L240-N244 WeakPolarHBondContact O-CB 3.46Å; L240-N244 PolarHBondContact O-N 3.4Å; K241-N244 PolarHBondContact O-N 2.96Å; S242-N244 VanDerWaalsContact C-N 3.28Å; S242-N244 PolarHBondContact O-N 3.32Å; N244-R247 PolarHBondContact O-N 3.25Å; N244-Q248 WeakPolarHBondContact O-CG 3.43Å; N244-Q248 PolarHBondContact O-N 3.02Å
245	S	94.4	Very high	94	Very high	68 Å²	68	109.8 Å²	109.8	48%	0.476	52%	0.515	S	S	.	.	H	α-helix	trans	-67.6	-40.9	175.5	68.3	0	0	0	0	111.5	K241 S242 Q248 F249	K241-S245 PolarHBondContact O-N 3.11Å; K241-S245 PolarHBondContact O-OG 2.82Å; S242-S245 PolarHBondContact O-N 3.08Å; S242-S245 PolarHBondContact O-OG 2.89Å; S245-Q248 PolarHBondContact O-N 2.75Å; S245-F249 PolarHBondContact O-N 2.79Å
246	E	92.2	Very high	93.8	Very high	114 Å²	114	106.9 Å²	106.9	53%	0.533	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-44.2	173.4	-173.2	176.2	-170.7	0	0	111.6	S242 Q248 F249 L250	S242-E246 WeakPolarHBondContact O-CB 3.22Å; S242-E246 PolarHBondContact O-N 2.84Å; E246-Q248 VanDerWaalsContact C-N 3.33Å; E246-Q248 PolarHBondContact O-N 3Å; E246-F249 PolarHBondContact O-N 3.24Å; E246-L250 HydrophobicContact CG-CD1 4.25Å; E246-L250 HydrophobicContact CG-CG 4.47Å; E246-L250 WeakPolarHBondContact O-CG 3.28Å; E246-L250 PolarHBondContact O-N 2.78Å
247	R	94.7	Very high	93.6	Very high	158 Å²	158	103.2 Å²	103.2	60%	0.596	50%	0.5	S	S	*	.	H	α-helix	trans	-59.9	-41.1	174	-78	174.8	177.3	-170.3	-0	112.2	I243 N244 R251	I243-R247 HydrophobicContact CG2-CG 4.4Å; I243-R247 WeakPolarHBondContact O-CB 3.4Å; I243-R247 WeakPolarHBondContact O-CG 3.45Å; I243-R247 PolarHBondContact O-N 2.74Å; N244-R247 PolarHBondContact O-N 3.25Å; R247-R251 WeakPolarHBondContact O-CB 3.41Å; R247-R251 VanDerWaalsContact O-CG 3.31Å; R247-R251 WeakPolarHBondContact O-CG 3.45Å; R247-R251 PolarHBondContact O-N 2.82Å
248	Q	94.9	Very high	93.5	Very high	104 Å²	104	105.9 Å²	105.9	49%	0.486	51%	0.505	S	S	.	.	H	α-helix	trans	-64.5	-42.5	175.4	-76.8	-172.9	-2	0	0	111.7	N244 S245 E246 R251 Q252	N244-Q248 WeakPolarHBondContact O-CG 3.43Å; N244-Q248 PolarHBondContact O-N 3.02Å; S245-Q248 PolarHBondContact O-N 2.75Å; E246-Q248 VanDerWaalsContact C-N 3.33Å; E246-Q248 PolarHBondContact O-N 3Å; Q248-R251 PolarHBondContact O-N 3.14Å; Q248-Q252 WeakPolarHBondContact O-CG 3.41Å; Q248-Q252 PolarHBondContact O-N 2.89Å
249	F	94.1	Very high	93.3	Very high	116 Å²	116	107.8 Å²	107.8	51%	0.509	51%	0.512	S	S	.	.	H	α-helix	trans	-62.9	-45.8	176.3	179.8	-109.7	0	0	0	112.2	S245 E246 R251 Q252 Q253	S245-F249 PolarHBondContact O-N 2.79Å; E246-F249 PolarHBondContact O-N 3.24Å; F249-R251 VanDerWaalsContact C-N 3.34Å; F249-R251 PolarHBondContact O-N 3.37Å; F249-Q252 PolarHBondContact O-N 2.86Å; F249-Q252 VanDerWaalsContact O-N 3.16Å; F249-Q253 HydrophobicContact CE1-CG 4.33Å; F249-Q253 HydrophobicContact CZ-CG 4.29Å; F249-Q253 PolarHBondContact O-N 2.75Å
250	L	93.3	Very high	93.2	Very high	74 Å²	74	110 Å²	110	39%	0.387	52%	0.52	S	S	.	.	H	α-helix	trans	-61.8	-40.2	175.4	-70.3	174.9	0	0	0	111.9	E246 Q252 Q253 Q254	E246-L250 HydrophobicContact CG-CD1 4.25Å; E246-L250 HydrophobicContact CG-CG 4.47Å; E246-L250 WeakPolarHBondContact O-CG 3.28Å; E246-L250 PolarHBondContact O-N 2.78Å; L250-Q252 PolarHBondContact O-N 2.87Å; L250-Q253 PolarHBondContact O-N 2.76Å; L250-Q254 WeakPolarHBondContact O-CB 3.45Å; L250-Q254 WeakPolarHBondContact O-CG 3.27Å; L250-Q254 PolarHBondContact O-N 2.8Å
251	R	93.6	Very high	93	Very high	157 Å²	157	109.8 Å²	109.8	59%	0.592	52%	0.516	S	S	*	.	H	α-helix	trans	-62	-40.1	173.3	-77.9	174.8	177.4	170.5	-0.3	112.3	R247 Q248 F249 K255	R247-R251 WeakPolarHBondContact O-CB 3.41Å; R247-R251 VanDerWaalsContact O-CG 3.31Å; R247-R251 WeakPolarHBondContact O-CG 3.45Å; R247-R251 PolarHBondContact O-N 2.82Å; Q248-R251 PolarHBondContact O-N 3.14Å; F249-R251 VanDerWaalsContact C-N 3.34Å; F249-R251 PolarHBondContact O-N 3.37Å; R251-K255 WeakPolarHBondContact O-CG 3.3Å; R251-K255 PolarHBondContact O-N 3.03Å
252	Q	94.4	Very high	92.9	Very high	129 Å²	129	107.7 Å²	107.7	60%	0.603	51%	0.514	S	S	*	.	H	α-helix	trans	-66.1	-44.3	175.6	-72.5	-179	20.8	0	0	111.5	Q248 F249 L250 K255 A256	Q248-Q252 WeakPolarHBondContact O-CG 3.41Å; Q248-Q252 PolarHBondContact O-N 2.89Å; F249-Q252 PolarHBondContact O-N 2.86Å; F249-Q252 VanDerWaalsContact O-N 3.16Å; L250-Q252 PolarHBondContact O-N 2.87Å; Q252-K255 PolarHBondContact O-N 2.76Å; Q252-A256 PolarHBondContact O-N 2.62Å
253	Q	91.9	Very high	92.9	Very high	81 Å²	81	109.5 Å²	109.5	38%	0.379	52%	0.518	S	S	.	.	H	α-helix	trans	-60.9	-46.1	175	-73.9	-149.5	36.3	0	0	111.9	F249 L250 K255 A256 T257	F249-Q253 HydrophobicContact CE1-CG 4.33Å; F249-Q253 HydrophobicContact CZ-CG 4.29Å; F249-Q253 PolarHBondContact O-N 2.75Å; L250-Q253 PolarHBondContact O-N 2.76Å; Q253-K255 VanDerWaalsContact C-N 3.32Å; Q253-K255 PolarHBondContact O-N 2.8Å; Q253-A256 PolarHBondContact O-N 2.87Å; Q253-A256 VanDerWaalsContact O-N 3.12Å; Q253-T257 PolarHBondContact O-N 2.7Å; Q253-T257 PolarHBondContact O-OG1 3.46Å; Q253-T257 VanDerWaalsContact O-OG1 3.06Å
254	Q	92.8	Very high	92.8	Very high	112 Å²	112	110.2 Å²	110.2	52%	0.523	53%	0.526	S	S	.	.	H	α-helix	trans	-58.6	-41.9	175.8	-76.3	178.1	-13.6	0	0	112.2	L250 T257 R258	L250-Q254 WeakPolarHBondContact O-CB 3.45Å; L250-Q254 WeakPolarHBondContact O-CG 3.27Å; L250-Q254 PolarHBondContact O-N 2.8Å; Q254-T257 PolarHBondContact O-N 2.78Å; Q254-R258 WeakPolarHBondContact O-CB 3.37Å; Q254-R258 VanDerWaalsContact O-CG 3.3Å; Q254-R258 WeakPolarHBondContact O-CG 3.25Å; Q254-R258 PolarHBondContact O-N 2.94Å
255	K	92.9	Very high	92.8	Very high	155 Å²	155	109.6 Å²	109.6	67%	0.674	53%	0.525	S	S	*	.	H	α-helix	trans	-63.6	-39.9	174.8	-75	178.4	-179.7	-174.4	0	112.2	R251 Q252 Q253 K259	R251-K255 WeakPolarHBondContact O-CG 3.3Å; R251-K255 PolarHBondContact O-N 3.03Å; Q252-K255 PolarHBondContact O-N 2.76Å; Q253-K255 VanDerWaalsContact C-N 3.32Å; Q253-K255 PolarHBondContact O-N 2.8Å; K255-K259 PolarHBondContact O-N 2.73Å
256	A	90.8	Very high	92.8	Very high	49 Å²	49	109 Å²	109	41%	0.405	52%	0.524	S	S	.	.	H	α-helix	trans	-67.6	-42.4	177.5	0	0	0	0	0	111.9	Q252 Q253 K259 K260	Q252-A256 PolarHBondContact O-N 2.62Å; Q253-A256 PolarHBondContact O-N 2.87Å; Q253-A256 VanDerWaalsContact O-N 3.12Å; A256-K259 PolarHBondContact O-N 3.31Å; A256-K260 WeakPolarHBondContact O-CG 3.39Å; A256-K260 PolarHBondContact O-N 3.39Å
257	T	90.4	Very high	93	Very high	67 Å²	67	107.5 Å²	107.5	41%	0.411	52%	0.523	S	S	.	.	H	α-helix	trans	-63.7	-46.8	175.2	-53.6	0	0	0	0	111.1	Q253 Q254 K259 K260 E261	Q253-T257 PolarHBondContact O-N 2.7Å; Q253-T257 PolarHBondContact O-OG1 3.46Å; Q253-T257 VanDerWaalsContact O-OG1 3.06Å; Q254-T257 PolarHBondContact O-N 2.78Å; T257-K259 VanDerWaalsContact C-N 3.31Å; T257-K259 PolarHBondContact O-N 3.1Å; T257-K260 WeakPolarHBondContact O-CB 3.28Å; T257-K260 PolarHBondContact O-N 3.19Å; T257-K260 VanDerWaalsContact O-N 3.11Å; T257-E261 HydrophobicContact CG2-CG 4.49Å; T257-E261 WeakPolarHBondContact O-CG 3.47Å; T257-E261 PolarHBondContact O-N 3.08Å
258	R	91.7	Very high	93	Very high	166 Å²	166	104.2 Å²	104.2	63%	0.626	52%	0.516	S	S	*	.	H	α-helix	trans	-58.6	-40.3	175.2	-74.6	178.7	-177.8	-175.2	0.7	112.5	Q254 E261 T262	Q254-R258 WeakPolarHBondContact O-CB 3.37Å; Q254-R258 VanDerWaalsContact O-CG 3.3Å; Q254-R258 WeakPolarHBondContact O-CG 3.25Å; Q254-R258 PolarHBondContact O-N 2.94Å; R258-E261 PolarHBondContact O-N 3.03Å; R258-T262 WeakPolarHBondContact O-CG2 3.42Å; R258-T262 PolarHBondContact O-N 3.49Å; R258-T262 PolarHBondContact O-OG1 3.06Å
259	K	91.5	Very high	93	Very high	147 Å²	147	107.9 Å²	107.9	64%	0.639	53%	0.526	S	S	*	.	H	α-helix	trans	-60.9	-46.6	173.8	-93.1	-171.6	172.2	-171.8	0	112.1	K255 A256 T257 E261 T262 D263	K255-K259 PolarHBondContact O-N 2.73Å; A256-K259 PolarHBondContact O-N 3.31Å; T257-K259 VanDerWaalsContact C-N 3.31Å; T257-K259 PolarHBondContact O-N 3.1Å; K259-E261 VanDerWaalsContact C-N 3.34Å; K259-E261 PolarHBondContact O-N 3.08Å; K259-T262 WeakPolarHBondContact CA-OG1 3.39Å; K259-T262 PolarHBondContact O-N 3.4Å; K259-T262 PolarHBondContact O-OG1 3.46Å; K259-D263 PolarHBondContact O-N 3.05Å
260	K	91.3	Very high	93	Very high	149 Å²	149	107.4 Å²	107.4	65%	0.648	53%	0.525	S	S	*	.	H	α-helix	trans	-60.9	-43.3	176.6	-69.6	176.2	-179.5	-176.5	0	111.7	A256 T257 D263 V264	A256-K260 WeakPolarHBondContact O-CG 3.39Å; A256-K260 PolarHBondContact O-N 3.39Å; T257-K260 WeakPolarHBondContact O-CB 3.28Å; T257-K260 PolarHBondContact O-N 3.19Å; T257-K260 VanDerWaalsContact O-N 3.11Å; K260-D263 PolarHBondContact O-N 2.94Å; K260-V264 VanDerWaalsContact O-CG2 3.29Å; K260-V264 WeakPolarHBondContact O-CG2 3.08Å; K260-V264 PolarHBondContact O-N 3.22Å
261	E	90.1	Very high	93.2	Very high	112 Å²	112	108.8 Å²	108.8	52%	0.523	53%	0.53	S	S	.	.	H	α-helix	trans	-61.2	-44.8	175.3	-71.1	167.9	177.2	0	0	111.3	T257 R258 K259 D263 V264 V265	T257-E261 HydrophobicContact CG2-CG 4.49Å; T257-E261 WeakPolarHBondContact O-CG 3.47Å; T257-E261 PolarHBondContact O-N 3.08Å; R258-E261 PolarHBondContact O-N 3.03Å; K259-E261 VanDerWaalsContact C-N 3.34Å; K259-E261 PolarHBondContact O-N 3.08Å; E261-D263 VanDerWaalsContact C-N 3.35Å; E261-D263 PolarHBondContact O-N 3.33Å; E261-V264 PolarHBondContact O-N 3.33Å; E261-V265 WeakPolarHBondContact O-CB 3.32Å; E261-V265 VanDerWaalsContact O-CG2 3.26Å; E261-V265 WeakPolarHBondContact O-CG2 3.19Å; E261-V265 PolarHBondContact O-N 3.33Å
262	T	93.9	Very high	93.2	Very high	85 Å²	85	105.8 Å²	105.8	52%	0.521	53%	0.525	S	S	.	.	H	α-helix	trans	-64.3	-38.5	177.2	52.9	0	0	0	0	112.6	R258 K259 V265 A266	R258-T262 WeakPolarHBondContact O-CG2 3.42Å; R258-T262 PolarHBondContact O-N 3.49Å; R258-T262 PolarHBondContact O-OG1 3.06Å; K259-T262 WeakPolarHBondContact CA-OG1 3.39Å; K259-T262 PolarHBondContact O-N 3.4Å; K259-T262 PolarHBondContact O-OG1 3.46Å; T262-V265 PolarHBondContact O-N 3.23Å; T262-A266 WeakPolarHBondContact O-CB 3.09Å; T262-A266 PolarHBondContact O-N 3.09Å
263	D	93.2	Very high	93.3	Very high	101 Å²	101	101.9 Å²	101.9	54%	0.54	51%	0.511	S	S	.	.	H	α-helix	trans	-66.8	-43.5	178.3	-64.2	-20.5	0	0	0	110.7	K259 K260 E261 A266 V267	K259-D263 PolarHBondContact O-N 3.05Å; K260-D263 PolarHBondContact O-N 2.94Å; E261-D263 VanDerWaalsContact C-N 3.35Å; E261-D263 PolarHBondContact O-N 3.33Å; D263-A266 PolarHBondContact O-N 3.39Å; D263-V267 WeakPolarHBondContact O-CG2 3.45Å; D263-V267 PolarHBondContact O-N 2.92Å
264	V	92.8	Very high	93.5	Very high	87 Å²	87	101.9 Å²	101.9	53%	0.527	51%	0.514	S	S	.	.	H	α-helix	trans	-63.4	-45	175.7	172.3	0	0	0	0	111	K260 E261 A266 V267 L268	K260-V264 VanDerWaalsContact O-CG2 3.29Å; K260-V264 WeakPolarHBondContact O-CG2 3.08Å; K260-V264 PolarHBondContact O-N 3.22Å; E261-V264 PolarHBondContact O-N 3.33Å; V264-A266 VanDerWaalsContact C-N 3.31Å; V264-A266 PolarHBondContact O-N 3.25Å; V264-V267 PolarHBondContact O-N 3.47Å; V264-L268 HydrophobicContact CG1-CD1 3.97Å; V264-L268 HydrophobicContact CG1-CG 4.39Å; V264-L268 WeakPolarHBondContact O-CG 3.37Å; V264-L268 PolarHBondContact O-N 3.39Å
265	V	94.3	Very high	93.7	Very high	70 Å²	70	101.3 Å²	101.3	42%	0.424	51%	0.514	S	S	.	.	H	α-helix	trans	-62.3	-39	176.4	170.6	0	0	0	0	111.2	E261 T262 L268 R269	E261-V265 WeakPolarHBondContact O-CB 3.32Å; E261-V265 VanDerWaalsContact O-CG2 3.26Å; E261-V265 WeakPolarHBondContact O-CG2 3.19Å; E261-V265 PolarHBondContact O-N 3.33Å; T262-V265 PolarHBondContact O-N 3.23Å; V265-L268 PolarHBondContact O-N 3.42Å; V265-R269 HydrophobicContact CG1-CG 4.4Å; V265-R269 WeakPolarHBondContact O-CB 3.26Å; V265-R269 VanDerWaalsContact O-CG 3.25Å; V265-R269 WeakPolarHBondContact O-CG 3.33Å; V265-R269 PolarHBondContact O-N 3.46Å
266	A	94.4	Very high	93.8	Very high	56 Å²	56	99.6 Å²	99.6	46%	0.463	51%	0.508	S	S	.	.	H	α-helix	trans	-63.8	-43.9	176.1	0	0	0	0	0	112	T262 D263 V264 R269 Q270	T262-A266 WeakPolarHBondContact O-CB 3.09Å; T262-A266 PolarHBondContact O-N 3.09Å; D263-A266 PolarHBondContact O-N 3.39Å; V264-A266 VanDerWaalsContact C-N 3.31Å; V264-A266 PolarHBondContact O-N 3.25Å; A266-R269 PolarHBondContact O-N 2.8Å; A266-Q270 PolarHBondContact O-N 2.95Å
267	V	95.6	Very high	94	Very high	83 Å²	83	101.8 Å²	101.8	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-63.2	-45.9	176.1	172.2	0	0	0	0	111.3	D263 V264 R269 Q270 Q271	D263-V267 WeakPolarHBondContact O-CG2 3.45Å; D263-V267 PolarHBondContact O-N 2.92Å; V264-V267 PolarHBondContact O-N 3.47Å; V267-R269 VanDerWaalsContact C-N 3.34Å; V267-R269 PolarHBondContact O-N 3.25Å; V267-Q270 WeakPolarHBondContact O-CB 3.36Å; V267-Q270 PolarHBondContact O-N 3.36Å; V267-Q271 WeakPolarHBondContact O-CG 3.39Å; V267-Q271 PolarHBondContact O-N 2.86Å
268	L	94.9	Very high	94.3	Very high	88 Å²	88	102.8 Å²	102.8	46%	0.461	51%	0.513	S	S	.	.	H	α-helix	trans	-63.5	-39.7	178.1	-71.1	173.7	0	0	0	111.8	V264 V265 Q270 Q271 I272	V264-L268 HydrophobicContact CG1-CD1 3.97Å; V264-L268 HydrophobicContact CG1-CG 4.39Å; V264-L268 WeakPolarHBondContact O-CG 3.37Å; V264-L268 PolarHBondContact O-N 3.39Å; V265-L268 PolarHBondContact O-N 3.42Å; L268-Q270 VanDerWaalsContact C-N 3.33Å; L268-Q270 PolarHBondContact O-N 2.97Å; L268-Q271 PolarHBondContact O-N 3.46Å; L268-I272 VanDerWaalsContact O-CG1 3.28Å; L268-I272 WeakPolarHBondContact O-CG1 3.35Å; L268-I272 PolarHBondContact O-N 2.82Å
269	R	94.8	Very high	94.4	Very high	181 Å²	181	99.2 Å²	99.2	68%	0.683	51%	0.506	S	S	*	.	H	α-helix	trans	-61.6	-41.4	173.9	-77.2	177.2	178.2	-153.7	-0.6	112	V265 A266 V267 I272 S273	V265-R269 HydrophobicContact CG1-CG 4.4Å; V265-R269 WeakPolarHBondContact O-CB 3.26Å; V265-R269 VanDerWaalsContact O-CG 3.25Å; V265-R269 WeakPolarHBondContact O-CG 3.33Å; V265-R269 PolarHBondContact O-N 3.46Å; A266-R269 PolarHBondContact O-N 2.8Å; V267-R269 VanDerWaalsContact C-N 3.34Å; V267-R269 PolarHBondContact O-N 3.25Å; R269-I272 PolarHBondContact O-N 2.84Å; R269-S273 PolarHBondContact O-N 2.66Å
270	Q	95.1	Very high	94.6	Very high	107 Å²	107	95.8 Å²	95.8	50%	0.5	50%	0.499	S	S	.	.	H	α-helix	trans	-62.6	-47.3	175.1	-174.5	60.9	47.5	0	0	111.1	A266 V267 L268 I272 S273 D274	A266-Q270 PolarHBondContact O-N 2.95Å; V267-Q270 WeakPolarHBondContact O-CB 3.36Å; V267-Q270 PolarHBondContact O-N 3.36Å; L268-Q270 VanDerWaalsContact C-N 3.33Å; L268-Q270 PolarHBondContact O-N 2.97Å; Q270-I272 VanDerWaalsContact C-N 3.35Å; Q270-I272 PolarHBondContact O-N 3.3Å; Q270-S273 WeakPolarHBondContact O-CB 3.33Å; Q270-S273 PolarHBondContact O-N 2.99Å; Q270-S273 VanDerWaalsContact O-N 3.12Å; Q270-D274 PolarHBondContact NE2-OD1 3.25Å; Q270-D274 VanDerWaalsContact O-CG 3.26Å; Q270-D274 PolarHBondContact O-N 3.31Å
271	Q	96.9	Very high	94.8	Very high	102 Å²	102	93.3 Å²	93.3	48%	0.477	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-41.4	178	-72.8	178.4	-27.5	0	0	112.7	V267 L268 S273 D274 L275	V267-Q271 WeakPolarHBondContact O-CG 3.39Å; V267-Q271 PolarHBondContact O-N 2.86Å; L268-Q271 PolarHBondContact O-N 3.46Å; Q271-S273 VanDerWaalsContact C-N 3.33Å; Q271-D274 PolarHBondContact O-N 3.24Å; Q271-L275 WeakPolarHBondContact O-CB 3.34Å; Q271-L275 WeakPolarHBondContact O-CG 3.09Å; Q271-L275 PolarHBondContact O-N 3.44Å
272	I	94.6	Very high	95	Very high	95 Å²	95	92.6 Å²	92.6	49%	0.487	49%	0.488	S	S	.	.	H	α-helix	trans	-61.8	-43.8	174.7	-69.6	166.2	0	0	0	110.3	L268 R269 Q270 D274 L275 Q276	L268-I272 VanDerWaalsContact O-CG1 3.28Å; L268-I272 WeakPolarHBondContact O-CG1 3.35Å; L268-I272 PolarHBondContact O-N 2.82Å; R269-I272 PolarHBondContact O-N 2.84Å; Q270-I272 VanDerWaalsContact C-N 3.35Å; Q270-I272 PolarHBondContact O-N 3.3Å; I272-D274 PolarHBondContact O-N 2.86Å; I272-L275 PolarHBondContact O-N 3.5Å; I272-Q276 HydrophobicContact CG2-CG 4.39Å; I272-Q276 WeakPolarHBondContact O-CB 3.48Å; I272-Q276 VanDerWaalsContact O-CG 3.23Å; I272-Q276 WeakPolarHBondContact O-CG 3.33Å; I272-Q276 PolarHBondContact O-N 3.31Å
273	S	95.7	Very high	95.1	Very high	46 Å²	46	94.2 Å²	94.2	32%	0.322	49%	0.49	S	S	.	.	H	α-helix	trans	-62.3	-41.5	176.8	-171.3	0	0	0	0	112.2	R269 Q270 Q271 Q276 N277	R269-S273 PolarHBondContact O-N 2.66Å; Q270-S273 WeakPolarHBondContact O-CB 3.33Å; Q270-S273 PolarHBondContact O-N 2.99Å; Q270-S273 VanDerWaalsContact O-N 3.12Å; Q271-S273 VanDerWaalsContact C-N 3.33Å; S273-Q276 PolarHBondContact O-N 3.35Å; S273-N277 VanDerWaalsContact O-CG 3.3Å; S273-N277 PolarHBondContact O-N 2.74Å; S273-N277 VanDerWaalsContact O-N 3.07Å; S273-N277 PolarHBondContact O-ND2 2.84Å
274	D	95.4	Very high	95.1	Very high	81 Å²	81	92.6 Å²	92.6	43%	0.433	49%	0.487	S	S	.	.	H	α-helix	trans	-66.2	-43.9	179.2	-65.3	-21.2	0	0	0	111.1	Q270 Q271 I272 Q276 N277 E278	Q270-D274 PolarHBondContact NE2-OD1 3.25Å; Q270-D274 VanDerWaalsContact O-CG 3.26Å; Q270-D274 PolarHBondContact O-N 3.31Å; Q271-D274 PolarHBondContact O-N 3.24Å; I272-D274 PolarHBondContact O-N 2.86Å; D274-Q276 PolarHBondContact O-N 2.88Å; D274-N277 PolarHBondContact O-N 2.84Å; D274-E278 PolarHBondContact O-N 3.46Å
275	L	96.9	Very high	95.2	Very high	101 Å²	101	95.7 Å²	95.7	53%	0.529	49%	0.489	S	S	.	.	H	α-helix	trans	-65.1	-37.7	176	-72.3	173	0	0	0	112.4	Q271 I272 E278 I279	Q271-L275 WeakPolarHBondContact O-CB 3.34Å; Q271-L275 WeakPolarHBondContact O-CG 3.09Å; Q271-L275 PolarHBondContact O-N 3.44Å; I272-L275 PolarHBondContact O-N 3.5Å; L275-E278 PolarHBondContact O-N 2.94Å; L275-I279 VanDerWaalsContact O-CG1 3.29Å; L275-I279 WeakPolarHBondContact O-CG1 3.28Å; L275-I279 PolarHBondContact O-N 2.93Å
276	Q	96.3	Very high	95.1	Very high	118 Å²	118	95.1 Å²	95.1	55%	0.551	49%	0.487	S	S	*	.	H	α-helix	trans	-62.2	-42.5	174.3	-77.7	174.3	-21.2	0	0	111.7	I272 S273 D274 I279 C280	I272-Q276 HydrophobicContact CG2-CG 4.39Å; I272-Q276 WeakPolarHBondContact O-CB 3.48Å; I272-Q276 VanDerWaalsContact O-CG 3.23Å; I272-Q276 WeakPolarHBondContact O-CG 3.33Å; I272-Q276 PolarHBondContact O-N 3.31Å; S273-Q276 PolarHBondContact O-N 3.35Å; D274-Q276 PolarHBondContact O-N 2.88Å; Q276-I279 PolarHBondContact O-N 2.78Å; Q276-C280 WeakPolarHBondContact O-CB 3.41Å; Q276-C280 PolarHBondContact O-N 2.94Å
277	N	94.9	Very high	95.1	Very high	95 Å²	95	95.1 Å²	95.1	51%	0.508	48%	0.484	S	S	.	.	H	α-helix	trans	-63.6	-43.2	174.8	-69.7	-29.5	0	0	0	111.4	S273 D274 I279 C280 D281	S273-N277 VanDerWaalsContact O-CG 3.3Å; S273-N277 PolarHBondContact O-N 2.74Å; S273-N277 VanDerWaalsContact O-N 3.07Å; S273-N277 PolarHBondContact O-ND2 2.84Å; D274-N277 PolarHBondContact O-N 2.84Å; N277-I279 VanDerWaalsContact C-N 3.34Å; N277-I279 PolarHBondContact O-N 2.6Å; N277-C280 WeakPolarHBondContact O-CB 3.14Å; N277-C280 PolarHBondContact O-N 2.73Å; N277-D281 PolarHBondContact O-N 2.79Å
278	E	96.2	Very high	95.1	Very high	89 Å²	89	93 Å²	93	42%	0.416	48%	0.479	S	S	.	.	H	α-helix	trans	-63.5	-38.7	177.8	-166.9	-173.6	160.2	0	0	112.5	D274 L275 D281 K282	D274-E278 PolarHBondContact O-N 3.46Å; L275-E278 PolarHBondContact O-N 2.94Å; E278-D281 PolarHBondContact O-N 2.99Å; E278-K282 WeakPolarHBondContact O-CG 3.35Å; E278-K282 PolarHBondContact O-N 2.94Å; E278-K282 WeakPolarHBondContact OE1-CE 3.35Å; E278-K282 IonicContact OE1-NZ 2.77Å; E278-K282 PolarHBondContact OE1-NZ 2.82Å
279	I	94.7	Very high	95.1	Very high	91 Å²	91	94.4 Å²	94.4	47%	0.467	49%	0.486	S	S	.	.	H	α-helix	trans	-63.7	-47.3	174	-70.8	167.3	0	0	0	110.2	L275 Q276 N277 D281 K282 E283	L275-I279 VanDerWaalsContact O-CG1 3.29Å; L275-I279 WeakPolarHBondContact O-CG1 3.28Å; L275-I279 PolarHBondContact O-N 2.93Å; Q276-I279 PolarHBondContact O-N 2.78Å; N277-I279 VanDerWaalsContact C-N 3.34Å; N277-I279 PolarHBondContact O-N 2.6Å; I279-D281 VanDerWaalsContact C-N 3.3Å; I279-D281 PolarHBondContact O-N 3.1Å; I279-K282 CarbonylContact O-C 3.58Å; I279-K282 PolarHBondContact O-N 3.04Å; I279-E283 HydrophobicContact CG2-CG 4.16Å; I279-E283 WeakPolarHBondContact O-CB 3.45Å; I279-E283 WeakPolarHBondContact O-CG 3.45Å; I279-E283 PolarHBondContact O-N 3.37Å
280	C	95.6	Very high	95.1	Very high	74 Å²	74	92.2 Å²	92.2	50%	0.5	48%	0.478	S	S	.	.	H	α-helix	trans	-56.4	-43.3	176.9	-171.5	0	0	0	0	111.9	Q276 N277 K282 E283 S284	Q276-C280 WeakPolarHBondContact O-CB 3.41Å; Q276-C280 PolarHBondContact O-N 2.94Å; N277-C280 WeakPolarHBondContact O-CB 3.14Å; N277-C280 PolarHBondContact O-N 2.73Å; C280-K282 PolarHBondContact O-N 2.74Å; C280-E283 PolarHBondContact O-N 2.71Å; C280-S284 PolarHBondContact O-N 3.07Å; C280-S284 PolarHBondContact O-OG 3.3Å
281	D	94.1	Very high	95.1	Very high	97 Å²	97	89.7 Å²	89.7	52%	0.519	47%	0.472	S	S	.	.	H	α-helix	trans	-67	-32.9	175.5	-77.1	-16.4	0	0	0	113.3	N277 E278 I279 S284 R285	N277-D281 PolarHBondContact O-N 2.79Å; E278-D281 PolarHBondContact O-N 2.99Å; I279-D281 VanDerWaalsContact C-N 3.3Å; I279-D281 PolarHBondContact O-N 3.1Å; D281-S284 PolarHBondContact O-OG 3.44Å; D281-R285 WeakPolarHBondContact O-CG 3.46Å; D281-R285 PolarHBondContact O-N 2.89Å; D281-R285 PolarHBondContact O-NE 2.97Å
282	K	95.9	Very high	95.1	Very high	97 Å²	97	90.9 Å²	90.9	42%	0.422	47%	0.472	S	S	.	.	H	α-helix	trans	-73	-40.5	173.5	-75.6	174.2	-175.2	166.5	0	111.2	E278 I279 C280 R285 C286	E278-K282 WeakPolarHBondContact O-CG 3.35Å; E278-K282 PolarHBondContact O-N 2.94Å; E278-K282 WeakPolarHBondContact OE1-CE 3.35Å; E278-K282 IonicContact OE1-NZ 2.77Å; E278-K282 PolarHBondContact OE1-NZ 2.82Å; I279-K282 CarbonylContact O-C 3.58Å; I279-K282 PolarHBondContact O-N 3.04Å; C280-K282 PolarHBondContact O-N 2.74Å; K282-R285 VanDerWaalsContact CG-NH2 3.26Å; K282-R285 PolarHBondContact O-N 3.01Å; K282-C286 WeakPolarHBondContact O-CB 3.43Å; K282-C286 PolarHBondContact O-N 2.75Å; K282-C286 PolarHBondContact O-SG 3.03Å
283	E	94.6	Very high	95.2	Very high	120 Å²	120	90.6 Å²	90.6	56%	0.561	47%	0.471	S	S	*	.	H	α-helix	trans	-64.9	-42	178.5	-75.1	-178.7	166.5	0	0	112	I279 C280 C286 S287	I279-E283 HydrophobicContact CG2-CG 4.16Å; I279-E283 WeakPolarHBondContact O-CB 3.45Å; I279-E283 WeakPolarHBondContact O-CG 3.45Å; I279-E283 PolarHBondContact O-N 3.37Å; C280-E283 PolarHBondContact O-N 2.71Å; E283-C286 PolarHBondContact O-N 3.07Å; E283-S287 WeakPolarHBondContact O-CB 3.35Å; E283-S287 PolarHBondContact O-N 3.28Å
284	S	92.8	Very high	95.2	Very high	67 Å²	67	95.6 Å²	95.6	47%	0.469	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-44.3	175.6	68.5	0	0	0	0	111.8	C280 D281 S287 G288	C280-S284 PolarHBondContact O-N 3.07Å; C280-S284 PolarHBondContact O-OG 3.3Å; D281-S284 PolarHBondContact O-OG 3.44Å; S284-S287 WeakPolarHBondContact O-CB 3.33Å; S284-S287 PolarHBondContact O-N 2.93Å; S284-G288 PolarHBondContact O-N 3.45Å
285	R	95.7	Very high	95.2	Very high	152 Å²	152	94.6 Å²	94.6	57%	0.574	48%	0.48	S	S	*	.	H	α-helix	trans	-61.5	-45.6	173.5	-75.2	-177.5	-72.7	171.1	-8.1	112.3	D281 K282 S287 G288 L289	D281-R285 WeakPolarHBondContact O-CG 3.46Å; D281-R285 PolarHBondContact O-N 2.89Å; D281-R285 PolarHBondContact O-NE 2.97Å; K282-R285 VanDerWaalsContact CG-NH2 3.26Å; K282-R285 PolarHBondContact O-N 3.01Å; R285-S287 VanDerWaalsContact C-N 3.28Å; R285-S287 PolarHBondContact O-N 2.81Å; R285-G288 PolarHBondContact O-N 2.9Å; R285-L289 PolarHBondContact O-N 2.83Å
286	C	93.1	Very high	95.2	Very high	57 Å²	57	93.6 Å²	93.6	39%	0.385	47%	0.474	S	S	.	.	H	α-helix	trans	-63.4	-36.6	177	-68.1	0	0	0	0	111.6	K282 E283 L289 R290	K282-C286 WeakPolarHBondContact O-CB 3.43Å; K282-C286 PolarHBondContact O-N 2.75Å; K282-C286 PolarHBondContact O-SG 3.03Å; E283-C286 PolarHBondContact O-N 3.07Å; C286-L289 PolarHBondContact O-N 3.21Å; C286-R290 WeakPolarHBondContact O-CB 3.41Å; C286-R290 VanDerWaalsContact O-CG 3.31Å; C286-R290 WeakPolarHBondContact O-CG 3.4Å; C286-R290 PolarHBondContact O-N 3.41Å
287	S	94.2	Very high	95.1	Very high	57 Å²	57	93.6 Å²	93.6	40%	0.399	47%	0.474	S	S	.	.	H	α-helix	trans	-61.7	-43.6	174.5	-167.6	0	0	0	0	112	E283 S284 R285 R290 S291	E283-S287 WeakPolarHBondContact O-CB 3.35Å; E283-S287 PolarHBondContact O-N 3.28Å; S284-S287 WeakPolarHBondContact O-CB 3.33Å; S284-S287 PolarHBondContact O-N 2.93Å; R285-S287 VanDerWaalsContact C-N 3.28Å; R285-S287 PolarHBondContact O-N 2.81Å; S287-R290 PolarHBondContact O-N 2.94Å; S287-S291 PolarHBondContact O-N 2.87Å
288	G	94.2	Very high	95.2	Very high	39 Å²	39	92.6 Å²	92.6	40%	0.402	48%	0.475	S	S	.	.	H	α-helix	trans	-63.5	-39.2	174.4	0	0	0	0	0	113.5	S284 R285 S291 R292	S284-G288 PolarHBondContact O-N 3.45Å; R285-G288 PolarHBondContact O-N 2.9Å; G288-S291 PolarHBondContact O-N 3.46Å; G288-S291 PolarHBondContact O-OG 3.33Å; G288-R292 PolarHBondContact O-N 2.92Å; G288-R292 VanDerWaalsContact O-N 3.08Å
289	L	95.1	Very high	95.2	Very high	117 Å²	117	93.1 Å²	93.1	61%	0.613	48%	0.477	S	S	*	.	H	α-helix	trans	-67.7	-41.1	173.9	-68.3	175.3	0	0	0	111.7	R285 C286 S291 R292 I293	R285-L289 PolarHBondContact O-N 2.83Å; C286-L289 PolarHBondContact O-N 3.21Å; L289-S291 VanDerWaalsContact C-N 3.34Å; L289-S291 PolarHBondContact O-N 2.88Å; L289-R292 PolarHBondContact O-N 2.86Å; L289-I293 WeakPolarHBondContact O-CG1 3.13Å; L289-I293 PolarHBondContact O-N 3.21Å
290	R	95.2	Very high	95.3	Very high	134 Å²	134	93.5 Å²	93.5	51%	0.506	48%	0.48	S	S	.	.	H	α-helix	trans	-62.8	-37.4	175.3	-75.2	-173.4	-63.7	-99.8	3.2	112.3	C286 S287 R294	C286-R290 WeakPolarHBondContact O-CB 3.41Å; C286-R290 VanDerWaalsContact O-CG 3.31Å; C286-R290 WeakPolarHBondContact O-CG 3.4Å; C286-R290 PolarHBondContact O-N 3.41Å; S287-R290 PolarHBondContact O-N 2.94Å; R290-R294 WeakPolarHBondContact O-CG 3.36Å; R290-R294 PolarHBondContact O-N 2.98Å; R290-R294 VanDerWaalsContact O-N 3.14Å; R290-R294 PolarHBondContact O-NE 3.1Å
291	S	94.8	Very high	95.3	Very high	54 Å²	54	92.8 Å²	92.8	38%	0.378	48%	0.475	S	S	.	.	H	α-helix	trans	-67.3	-41.4	173.8	68.8	0	0	0	0	111.4	S287 G288 L289 I293 R294 T295	S287-S291 PolarHBondContact O-N 2.87Å; G288-S291 PolarHBondContact O-N 3.46Å; G288-S291 PolarHBondContact O-OG 3.33Å; L289-S291 VanDerWaalsContact C-N 3.34Å; L289-S291 PolarHBondContact O-N 2.88Å; S291-I293 PolarHBondContact O-N 3.33Å; S291-R294 PolarHBondContact O-N 2.9Å; S291-T295 WeakPolarHBondContact O-CG2 3.28Å; S291-T295 PolarHBondContact O-N 3.26Å
292	R	96.8	Very high	95.3	Very high	127 Å²	127	90.4 Å²	90.4	48%	0.479	47%	0.47	S	S	.	.	H	α-helix	trans	-63.1	-42.3	176	-172.2	62.7	-176.2	141.6	-3.9	112.2	G288 L289 R294 T295 L296 E299	G288-R292 PolarHBondContact O-N 2.92Å; G288-R292 VanDerWaalsContact O-N 3.08Å; L289-R292 PolarHBondContact O-N 2.86Å; R292-R294 PolarHBondContact O-N 3.46Å; R292-T295 WeakPolarHBondContact CA-OG1 3.25Å; R292-T295 PolarHBondContact NH1-OG1 3.24Å; R292-T295 PolarHBondContact O-N 2.92Å; R292-T295 PolarHBondContact O-OG1 2.92Å; R292-L296 HydrophobicContact CG-CD1 4.23Å; R292-L296 WeakPolarHBondContact O-CG 3.43Å; R292-L296 PolarHBondContact O-N 2.59Å; R292-E299 IonicContact NH1-OE1 3.27Å; R292-E299 PolarHBondContact NH1-OE1 3.14Å
293	I	96.1	Very high	95.3	Very high	90 Å²	90	89.5 Å²	89.5	46%	0.462	48%	0.475	S	S	.	.	H	α-helix	trans	-57.8	-48.8	175.2	-70.5	166.5	0	0	0	110.3	L289 S291 T295 L296 E297	L289-I293 WeakPolarHBondContact O-CG1 3.13Å; L289-I293 PolarHBondContact O-N 3.21Å; S291-I293 PolarHBondContact O-N 3.33Å; I293-T295 VanDerWaalsContact C-N 3.3Å; I293-T295 PolarHBondContact O-N 3.26Å; I293-L296 PolarHBondContact O-N 2.96Å; I293-L296 VanDerWaalsContact O-N 3.09Å; I293-E297 HydrophobicContact CG2-CG 4.23Å; I293-E297 WeakPolarHBondContact CG2-OE1 3.4Å; I293-E297 WeakPolarHBondContact O-CG 3.4Å; I293-E297 PolarHBondContact O-N 2.88Å
294	R	95.8	Very high	95.4	Very high	151 Å²	151	89.5 Å²	89.5	57%	0.57	47%	0.473	S	S	*	.	H	α-helix	trans	-57.6	-39.9	176.5	-75	-177	-74.6	166	-4.9	113.2	R290 S291 R292 S298	R290-R294 WeakPolarHBondContact O-CG 3.36Å; R290-R294 PolarHBondContact O-N 2.98Å; R290-R294 VanDerWaalsContact O-N 3.14Å; R290-R294 PolarHBondContact O-NE 3.1Å; S291-R294 PolarHBondContact O-N 2.9Å; R292-R294 PolarHBondContact O-N 3.46Å; R294-S298 PolarHBondContact O-N 2.97Å; R294-S298 PolarHBondContact O-OG 3.11Å
295	T	95.9	Very high	95.5	Very high	60 Å²	60	90.6 Å²	90.6	37%	0.368	47%	0.473	S	S	.	.	H	α-helix	trans	-64.6	-44.2	175.4	59.3	0	0	0	0	112	S291 R292 I293 E297 S298 E299	S291-T295 WeakPolarHBondContact O-CG2 3.28Å; S291-T295 PolarHBondContact O-N 3.26Å; R292-T295 WeakPolarHBondContact CA-OG1 3.25Å; R292-T295 PolarHBondContact NH1-OG1 3.24Å; R292-T295 PolarHBondContact O-N 2.92Å; R292-T295 PolarHBondContact O-OG1 2.92Å; I293-T295 VanDerWaalsContact C-N 3.3Å; I293-T295 PolarHBondContact O-N 3.26Å; T295-E297 PolarHBondContact O-N 3.19Å; T295-S298 PolarHBondContact O-N 2.87Å; T295-E299 WeakPolarHBondContact O-CG 3.49Å; T295-E299 PolarHBondContact O-N 2.69Å
296	L	96.6	Very high	95.5	Very high	80 Å²	80	86.9 Å²	86.9	42%	0.419	47%	0.465	S	S	.	.	H	α-helix	trans	-67.1	-36.6	179	-69.7	172.9	0	0	0	112	R292 I293 S298 E299 L300	R292-L296 HydrophobicContact CG-CD1 4.23Å; R292-L296 WeakPolarHBondContact O-CG 3.43Å; R292-L296 PolarHBondContact O-N 2.59Å; I293-L296 PolarHBondContact O-N 2.96Å; I293-L296 VanDerWaalsContact O-N 3.09Å; L296-S298 VanDerWaalsContact C-N 3.34Å; L296-E299 PolarHBondContact O-N 3.09Å; L296-L300 VanDerWaalsContact O-CB 3.27Å; L296-L300 WeakPolarHBondContact O-CB 3.46Å; L296-L300 PolarHBondContact O-N 3.04Å
297	E	95.9	Very high	95.6	Very high	117 Å²	117	89.9 Å²	89.9	55%	0.547	48%	0.477	S	S	.	.	H	α-helix	trans	-63.6	-40.9	173.9	-73.4	171	161.8	0	0	111.6	I293 T295 L300 S301	I293-E297 HydrophobicContact CG2-CG 4.23Å; I293-E297 WeakPolarHBondContact CG2-OE1 3.4Å; I293-E297 WeakPolarHBondContact O-CG 3.4Å; I293-E297 PolarHBondContact O-N 2.88Å; T295-E297 PolarHBondContact O-N 3.19Å; E297-L300 PolarHBondContact O-N 2.89Å; E297-S301 PolarHBondContact O-N 3.08Å; E297-S301 PolarHBondContact O-OG 2.77Å
298	S	96.1	Very high	95.6	Very high	74 Å²	74	92.3 Å²	92.3	52%	0.517	48%	0.484	S	S	.	.	H	α-helix	trans	-67	-40.9	175.7	-55.4	0	0	0	0	112.2	R294 T295 L296 L300 S301 A302	R294-S298 PolarHBondContact O-N 2.97Å; R294-S298 PolarHBondContact O-OG 3.11Å; T295-S298 PolarHBondContact O-N 2.87Å; L296-S298 VanDerWaalsContact C-N 3.34Å; S298-L300 VanDerWaalsContact C-N 3.33Å; S298-S301 WeakPolarHBondContact CA-OG 3.14Å; S298-S301 PolarHBondContact O-N 2.86Å; S298-S301 PolarHBondContact O-OG 2.74Å; S298-A302 WeakPolarHBondContact O-CB 3.46Å; S298-A302 PolarHBondContact O-N 2.82Å
299	E	96.4	Very high	95.6	Very high	101 Å²	101	98.4 Å²	98.4	47%	0.472	50%	0.495	S	S	.	.	H	α-helix	trans	-63.1	-41.1	173.4	-72	169.5	-156.1	0	0	111	R292 T295 L296 A302 C303	R292-E299 IonicContact NH1-OE1 3.27Å; R292-E299 PolarHBondContact NH1-OE1 3.14Å; T295-E299 WeakPolarHBondContact O-CG 3.49Å; T295-E299 PolarHBondContact O-N 2.69Å; L296-E299 PolarHBondContact O-N 3.09Å; E299-A302 PolarHBondContact O-N 2.78Å; E299-C303 PolarHBondContact O-N 2.88Å; E299-C303 PolarHBondContact O-SG 2.77Å
300	L	96.2	Very high	95.4	Very high	98 Å²	98	100.7 Å²	100.7	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-66.8	-41.4	177.6	-174.2	73	0	0	0	111.8	L296 E297 S298 C303 K304	L296-L300 VanDerWaalsContact O-CB 3.27Å; L296-L300 WeakPolarHBondContact O-CB 3.46Å; L296-L300 PolarHBondContact O-N 3.04Å; E297-L300 PolarHBondContact O-N 2.89Å; S298-L300 VanDerWaalsContact C-N 3.33Å; L300-C303 PolarHBondContact O-N 3.3Å; L300-K304 VanDerWaalsContact O-CG 3.3Å; L300-K304 WeakPolarHBondContact O-CG 3.25Å; L300-K304 PolarHBondContact O-N 2.66Å
301	S	95.5	Very high	95.4	Very high	59 Å²	59	102.7 Å²	102.7	41%	0.413	50%	0.503	S	S	.	.	H	α-helix	trans	-65.4	-43	176.2	63.3	0	0	0	0	111.5	E297 S298 C303 K304 D305	E297-S301 PolarHBondContact O-N 3.08Å; E297-S301 PolarHBondContact O-OG 2.77Å; S298-S301 WeakPolarHBondContact CA-OG 3.14Å; S298-S301 PolarHBondContact O-N 2.86Å; S298-S301 PolarHBondContact O-OG 2.74Å; S301-C303 PolarHBondContact O-N 3.2Å; S301-K304 WeakPolarHBondContact O-CB 3.48Å; S301-K304 PolarHBondContact O-N 2.76Å; S301-K304 VanDerWaalsContact O-N 3.13Å; S301-D305 PolarHBondContact O-N 2.75Å
302	A	95.4	Very high	95.4	Very high	48 Å²	48	103.2 Å²	103.2	40%	0.397	50%	0.5	S	S	.	.	H	α-helix	trans	-59.8	-44.9	175.3	0	0	0	0	0	111.9	S298 E299 K304 D305 D306	S298-A302 WeakPolarHBondContact O-CB 3.46Å; S298-A302 PolarHBondContact O-N 2.82Å; E299-A302 PolarHBondContact O-N 2.78Å; A302-K304 VanDerWaalsContact C-N 3.32Å; A302-K304 PolarHBondContact O-N 3.27Å; A302-D305 PolarHBondContact O-N 3.37Å; A302-D306 PolarHBondContact O-N 3.23Å
303	C	95.3	Very high	95.3	Very high	78 Å²	78	102.6 Å²	102.6	53%	0.527	50%	0.501	S	S	.	.	H	α-helix	trans	-62.6	-37.1	174.6	-75.8	0	0	0	0	112.8	E299 L300 S301 D306 L307	E299-C303 PolarHBondContact O-N 2.88Å; E299-C303 PolarHBondContact O-SG 2.77Å; L300-C303 PolarHBondContact O-N 3.3Å; S301-C303 PolarHBondContact O-N 3.2Å; C303-D306 PolarHBondContact O-N 2.75Å; C303-L307 WeakPolarHBondContact O-CG 3.23Å; C303-L307 PolarHBondContact O-N 2.75Å
304	K	96.4	Very high	95.1	Very high	120 Å²	120	104.4 Å²	104.4	52%	0.522	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-43.2	175.4	-76.2	171.8	179.4	176	0	111.3	L300 S301 A302 L307 L308	L300-K304 VanDerWaalsContact O-CG 3.3Å; L300-K304 WeakPolarHBondContact O-CG 3.25Å; L300-K304 PolarHBondContact O-N 2.66Å; S301-K304 WeakPolarHBondContact O-CB 3.48Å; S301-K304 PolarHBondContact O-N 2.76Å; S301-K304 VanDerWaalsContact O-N 3.13Å; A302-K304 VanDerWaalsContact C-N 3.32Å; A302-K304 PolarHBondContact O-N 3.27Å; K304-L307 WeakPolarHBondContact O-CB 3.49Å; K304-L307 PolarHBondContact O-N 3.02Å; K304-L308 PolarHBondContact O-N 3.28Å
305	D	95.4	Very high	95.1	Very high	90 Å²	90	102.5 Å²	102.5	48%	0.481	50%	0.498	S	S	.	.	H	α-helix	trans	-64.4	-41.3	177.7	-70.3	-17.5	0	0	0	111.7	S301 A302 L307 L308 R309	S301-D305 PolarHBondContact O-N 2.75Å; A302-D305 PolarHBondContact O-N 3.37Å; D305-L307 PolarHBondContact O-N 3.11Å; D305-L308 PolarHBondContact O-N 3.49Å; D305-R309 WeakPolarHBondContact O-CG 3.44Å; D305-R309 PolarHBondContact O-N 3.34Å
306	D	95.4	Very high	94.9	Very high	74 Å²	74	104.7 Å²	104.7	40%	0.396	50%	0.504	S	S	.	.	H	α-helix	trans	-63.5	-40.2	174.6	-77.9	-22.1	0	0	0	111.8	A302 C303 L308 R309 W310	A302-D306 PolarHBondContact O-N 3.23Å; C303-D306 PolarHBondContact O-N 2.75Å; D306-L308 VanDerWaalsContact C-N 3.33Å; D306-L308 PolarHBondContact O-N 3.16Å; D306-R309 PolarHBondContact O-N 2.87Å; D306-R309 IonicContact OD1-NH1 3.48Å; D306-W310 PolarHBondContact O-N 3.35Å
307	L	94.2	Very high	94.8	Very high	120 Å²	120	106 Å²	106	63%	0.628	51%	0.511	S	S	*	.	H	α-helix	trans	-61.4	-39.1	173.5	-77.8	172.4	0	0	0	112.5	C303 K304 D305 W310 R311	C303-L307 WeakPolarHBondContact O-CG 3.23Å; C303-L307 PolarHBondContact O-N 2.75Å; K304-L307 WeakPolarHBondContact O-CB 3.49Å; K304-L307 PolarHBondContact O-N 3.02Å; D305-L307 PolarHBondContact O-N 3.11Å; L307-W310 PolarHBondContact O-N 2.91Å; L307-R311 WeakPolarHBondContact O-CB 3.28Å; L307-R311 PolarHBondContact O-N 2.93Å
308	L	94.9	Very high	94.6	Very high	108 Å²	108	105.1 Å²	105.1	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-65.4	-43.7	174.7	-71.4	174.8	0	0	0	111.5	K304 D305 D306 W310 R311 E312	K304-L308 PolarHBondContact O-N 3.28Å; D305-L308 PolarHBondContact O-N 3.49Å; D306-L308 VanDerWaalsContact C-N 3.33Å; D306-L308 PolarHBondContact O-N 3.16Å; L308-W310 VanDerWaalsContact C-N 3.34Å; L308-W310 PolarHBondContact O-N 2.98Å; L308-R311 WeakPolarHBondContact O-CB 3.34Å; L308-R311 PolarHBondContact O-N 3.04Å; L308-E312 PolarHBondContact O-N 3.44Å
309	R	94.1	Very high	94.5	Very high	166 Å²	166	106.6 Å²	106.6	63%	0.626	51%	0.505	S	S	*	.	H	α-helix	trans	-59.7	-43.2	175.1	-72	172	176	179.4	-1.9	112	D305 D306 E312 K313	D305-R309 WeakPolarHBondContact O-CG 3.44Å; D305-R309 PolarHBondContact O-N 3.34Å; D306-R309 PolarHBondContact O-N 2.87Å; D306-R309 IonicContact OD1-NH1 3.48Å; R309-E312 PolarHBondContact O-N 3.12Å; R309-K313 WeakPolarHBondContact O-CG 3.38Å; R309-K313 PolarHBondContact O-N 3.15Å
310	W	92.2	Very high	94.3	Very high	165 Å²	165	103.6 Å²	103.6	63%	0.625	50%	0.496	S	S	*	.	H	α-helix	trans	-66	-38.2	176	-78.4	116	0	0	0	112.3	D306 L307 L308 E312 K313 F314	D306-W310 PolarHBondContact O-N 3.35Å; L307-W310 PolarHBondContact O-N 2.91Å; L308-W310 VanDerWaalsContact C-N 3.34Å; L308-W310 PolarHBondContact O-N 2.98Å; W310-E312 VanDerWaalsContact C-N 3.34Å; W310-E312 PolarHBondContact O-N 3.14Å; W310-K313 HydrophobicContact CE3-CD 3.9Å; W310-K313 HydrophobicContact CZ3-CD 4.01Å; W310-K313 PolarHBondContact O-N 3.15Å; W310-F314 WeakPolarHBondContact O-CB 3.26Å; W310-F314 PolarHBondContact O-N 3Å
311	R	94.9	Very high	94.2	Very high	176 Å²	176	103.5 Å²	103.5	66%	0.664	50%	0.496	S	S	*	.	H	α-helix	trans	-62.1	-41.3	174.6	-172.9	-179.7	-65.5	-145.9	-0.5	112	L307 L308 F314 R315	L307-R311 WeakPolarHBondContact O-CB 3.28Å; L307-R311 PolarHBondContact O-N 2.93Å; L308-R311 WeakPolarHBondContact O-CB 3.34Å; L308-R311 PolarHBondContact O-N 3.04Å; R311-F314 PolarHBondContact O-N 3.41Å; R311-R315 PolarHBondContact O-N 3.39Å
312	E	94	Very high	94.1	Very high	66 Å²	66	104.5 Å²	104.5	31%	0.308	50%	0.499	S	S	.	.	H	α-helix	trans	-64.8	-45.7	176.1	-164	63.4	-150.1	0	0	112	L308 R309 W310 F314 R315 H316	L308-E312 PolarHBondContact O-N 3.44Å; R309-E312 PolarHBondContact O-N 3.12Å; W310-E312 VanDerWaalsContact C-N 3.34Å; W310-E312 PolarHBondContact O-N 3.14Å; E312-F314 VanDerWaalsContact C-N 3.27Å; E312-F314 PolarHBondContact O-N 2.91Å; E312-R315 VanDerWaalsContact CD-NH1 3.25Å; E312-R315 WeakPolarHBondContact O-CB 3.43Å; E312-R315 PolarHBondContact O-N 3.47Å; E312-R315 IonicContact OE1-CZ 2.73Å; E312-R315 IonicContact OE1-NH1 2.79Å; E312-R315 PolarHBondContact OE1-NH1 2.77Å; E312-R315 IonicContact OE1-NH2 3.53Å; E312-R315 IonicContact OE2-CZ 2.75Å; E312-R315 IonicContact OE2-NE 3.26Å; E312-R315 IonicContact OE2-NH1 3.17Å; E312-R315 PolarHBondContact OE2-NH1 2.76Å; E312-R315 IonicContact OE2-NH2 3.55Å; E312-R315 PolarHBondContact OE2-NH2 2.75Å; E312-H316 PolarHBondContact O-N 2.75Å; E312-H316 IonicContact OE1-NE2 3.77Å
313	K	95.3	Very high	94	Very high	114 Å²	114	108.7 Å²	108.7	50%	0.496	51%	0.505	S	S	.	.	H	α-helix	trans	-58.4	-41.6	174.8	-72.3	176	-178	178.4	0	111.7	R309 W310 H316 L317	R309-K313 WeakPolarHBondContact O-CG 3.38Å; R309-K313 PolarHBondContact O-N 3.15Å; W310-K313 HydrophobicContact CE3-CD 3.9Å; W310-K313 HydrophobicContact CZ3-CD 4.01Å; W310-K313 PolarHBondContact O-N 3.15Å; K313-H316 PolarHBondContact O-N 2.85Å; K313-L317 WeakPolarHBondContact O-CG 3.44Å; K313-L317 PolarHBondContact O-N 3.49Å
314	F	92.6	Very high	93.8	Very high	128 Å²	128	108.4 Å²	108.4	56%	0.561	50%	0.498	S	S	*	.	H	α-helix	trans	-64.3	-44.3	177.4	-162.7	-101.5	0	0	0	111.3	W310 R311 E312 H316 L317 E318	W310-F314 WeakPolarHBondContact O-CB 3.26Å; W310-F314 PolarHBondContact O-N 3Å; R311-F314 PolarHBondContact O-N 3.41Å; E312-F314 VanDerWaalsContact C-N 3.27Å; E312-F314 PolarHBondContact O-N 2.91Å; F314-H316 PolarHBondContact O-N 3.38Å; F314-L317 PolarHBondContact O-N 3.16Å; F314-L317 VanDerWaalsContact O-N 3.16Å; F314-E318 HydrophobicContact CD1-CG 4.02Å; F314-E318 VanDerWaalsContact CE1-CD 3.48Å; F314-E318 HydrophobicContact CE1-CG 3.93Å; F314-E318 WeakPolarHBondContact CE1-OE1 3.5Å; F314-E318 WeakPolarHBondContact O-CG 3.34Å; F314-E318 PolarHBondContact O-N 2.94Å
315	R	94.3	Very high	93.7	Very high	111 Å²	111	107.8 Å²	107.8	42%	0.419	50%	0.5	S	S	.	.	H	α-helix	trans	-58.1	-45.9	175.2	-163.9	-163.4	-52.8	151.3	7.2	112.2	R311 E312 L317 E318 E319	R311-R315 PolarHBondContact O-N 3.39Å; E312-R315 VanDerWaalsContact CD-NH1 3.25Å; E312-R315 WeakPolarHBondContact O-CB 3.43Å; E312-R315 PolarHBondContact O-N 3.47Å; E312-R315 IonicContact OE1-CZ 2.73Å; E312-R315 IonicContact OE1-NH1 2.79Å; E312-R315 PolarHBondContact OE1-NH1 2.77Å; E312-R315 IonicContact OE1-NH2 3.53Å; E312-R315 IonicContact OE2-CZ 2.75Å; E312-R315 IonicContact OE2-NE 3.26Å; E312-R315 IonicContact OE2-NH1 3.17Å; E312-R315 PolarHBondContact OE2-NH1 2.76Å; E312-R315 IonicContact OE2-NH2 3.55Å; E312-R315 PolarHBondContact OE2-NH2 2.75Å; R315-L317 VanDerWaalsContact C-N 3.34Å; R315-L317 PolarHBondContact O-N 3.03Å; R315-E318 WeakPolarHBondContact O-CB 3.4Å; R315-E318 PolarHBondContact O-N 3.4Å; R315-E319 WeakPolarHBondContact O-CG 3.24Å; R315-E319 PolarHBondContact O-N 2.83Å
316	H	92.9	Very high	93.5	Very high	105 Å²	105	108.9 Å²	108.9	49%	0.486	50%	0.502	S	S	.	.	H	α-helix	trans	-63.7	-37.1	176.1	-76.7	-40.1	0	0	0	113.3	E312 K313 F314 E319 S320	E312-H316 PolarHBondContact O-N 2.75Å; E312-H316 IonicContact OE1-NE2 3.77Å; K313-H316 PolarHBondContact O-N 2.85Å; F314-H316 PolarHBondContact O-N 3.38Å; H316-E319 IonicContact ND1-OE2 3.81Å; H316-E319 PolarHBondContact ND1-OE2 2.78Å; H316-S320 WeakPolarHBondContact O-CB 3.15Å; H316-S320 PolarHBondContact O-N 2.73Å
317	L	93.8	Very high	93.3	Very high	108 Å²	108	109.5 Å²	109.5	57%	0.565	50%	0.503	S	S	*	.	H	α-helix	trans	-67.6	-39.9	174.4	-73.4	171.5	0	0	0	111.5	K313 F314 R315 S320 N321	K313-L317 WeakPolarHBondContact O-CG 3.44Å; K313-L317 PolarHBondContact O-N 3.49Å; F314-L317 PolarHBondContact O-N 3.16Å; F314-L317 VanDerWaalsContact O-N 3.16Å; R315-L317 VanDerWaalsContact C-N 3.34Å; R315-L317 PolarHBondContact O-N 3.03Å; L317-S320 PolarHBondContact O-N 2.87Å; L317-N321 WeakPolarHBondContact O-CB 3.23Å; L317-N321 PolarHBondContact O-N 2.74Å; L317-N321 PolarHBondContact O-ND2 2.83Å
318	E	92.4	Very high	93.2	Very high	99 Å²	99	107.8 Å²	107.8	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-61.4	-47.6	173.7	-72.6	178.2	142.3	0	0	111.4	F314 R315 S320 N321 V322	F314-E318 HydrophobicContact CD1-CG 4.02Å; F314-E318 VanDerWaalsContact CE1-CD 3.48Å; F314-E318 HydrophobicContact CE1-CG 3.93Å; F314-E318 WeakPolarHBondContact CE1-OE1 3.5Å; F314-E318 WeakPolarHBondContact O-CG 3.34Å; F314-E318 PolarHBondContact O-N 2.94Å; R315-E318 WeakPolarHBondContact O-CB 3.4Å; R315-E318 PolarHBondContact O-N 3.4Å; E318-S320 PolarHBondContact O-N 3.19Å; E318-N321 PolarHBondContact O-N 2.85Å; E318-V322 WeakPolarHBondContact O-CG2 3.3Å; E318-V322 PolarHBondContact O-N 3.11Å
319	E	92.5	Very high	93	Very high	104 Å²	104	105 Å²	105	49%	0.486	49%	0.487	S	S	.	.	H	α-helix	trans	-58.9	-44.8	175.8	-73	166.8	-179.3	0	0	111.9	R315 H316 V322 R323	R315-E319 WeakPolarHBondContact O-CG 3.24Å; R315-E319 PolarHBondContact O-N 2.83Å; H316-E319 IonicContact ND1-OE2 3.81Å; H316-E319 PolarHBondContact ND1-OE2 2.78Å; E319-V322 PolarHBondContact O-N 3.43Å; E319-R323 PolarHBondContact O-N 3.24Å
320	S	93.5	Very high	92.9	Very high	39 Å²	39	102.3 Å²	102.3	27%	0.273	48%	0.481	S	S	.	.	H	α-helix	trans	-64.4	-40	176.6	-174.3	0	0	0	0	112	H316 L317 E318 R323 L324	H316-S320 WeakPolarHBondContact O-CB 3.15Å; H316-S320 PolarHBondContact O-N 2.73Å; L317-S320 PolarHBondContact O-N 2.87Å; E318-S320 PolarHBondContact O-N 3.19Å; S320-R323 PolarHBondContact O-N 2.63Å; S320-L324 WeakPolarHBondContact O-CG 3.37Å; S320-L324 PolarHBondContact O-N 3.09Å
321	N	93	Very high	92.8	Very high	95 Å²	95	98.8 Å²	98.8	51%	0.508	47%	0.474	S	S	.	.	H	α-helix	trans	-64.4	-44.5	176.2	-81	-21	0	0	0	111.2	L317 E318 R323 L324 D325	L317-N321 WeakPolarHBondContact O-CB 3.23Å; L317-N321 PolarHBondContact O-N 2.74Å; L317-N321 PolarHBondContact O-ND2 2.83Å; E318-N321 PolarHBondContact O-N 2.85Å; N321-R323 VanDerWaalsContact C-N 3.32Å; N321-R323 PolarHBondContact O-N 2.87Å; N321-L324 PolarHBondContact O-N 3.35Å; N321-D325 WeakPolarHBondContact O-CB 3.34Å; N321-D325 PolarHBondContact O-N 3.41Å
322	V	94.3	Very high	92.3	Very high	80 Å²	80	99.2 Å²	99.2	49%	0.485	48%	0.476	S	S	.	.	H	α-helix	trans	-60.7	-41.1	176.1	171.9	0	0	0	0	111.3	E318 E319 D325 Q326	E318-V322 WeakPolarHBondContact O-CG2 3.3Å; E318-V322 PolarHBondContact O-N 3.11Å; E319-V322 PolarHBondContact O-N 3.43Å; V322-D325 PolarHBondContact O-N 2.94Å; V322-Q326 VanDerWaalsContact O-CG 3.31Å; V322-Q326 WeakPolarHBondContact O-CG 3.34Å; V322-Q326 PolarHBondContact O-N 3.38Å
323	R	92.5	Very high	91.8	Very high	136 Å²	136	101.5 Å²	101.5	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-61.8	-47.4	175.1	-173.5	-175.6	68.3	-147.7	-7.2	111.6	E319 S320 N321 D325 Q326 E327	E319-R323 PolarHBondContact O-N 3.24Å; S320-R323 PolarHBondContact O-N 2.63Å; N321-R323 VanDerWaalsContact C-N 3.32Å; N321-R323 PolarHBondContact O-N 2.87Å; R323-D325 VanDerWaalsContact C-N 3.3Å; R323-D325 PolarHBondContact O-N 3.28Å; R323-Q326 WeakPolarHBondContact O-CB 3.49Å; R323-Q326 PolarHBondContact O-N 3.02Å; R323-E327 IonicContact NE-OE1 2.82Å; R323-E327 WeakPolarHBondContact O-CG 3.34Å; R323-E327 PolarHBondContact O-N 2.9Å
324	L	92	Very high	91.4	Very high	73 Å²	73	102 Å²	102	38%	0.382	49%	0.492	S	S	.	.	H	α-helix	trans	-62.4	-37.7	177.2	-72.4	172.1	0	0	0	111.7	S320 N321 E327 N328	S320-L324 WeakPolarHBondContact O-CG 3.37Å; S320-L324 PolarHBondContact O-N 3.09Å; N321-L324 PolarHBondContact O-N 3.35Å; L324-E327 PolarHBondContact O-N 3Å; L324-N328 VanDerWaalsContact O-CB 3.25Å; L324-N328 WeakPolarHBondContact O-CB 3.32Å; L324-N328 VanDerWaalsContact O-CG 3.22Å; L324-N328 PolarHBondContact O-N 2.98Å; L324-N328 PolarHBondContact O-ND2 2.79Å; L324-N328 VanDerWaalsContact O-ND2 3.13Å
325	D	92.6	Very high	90.9	Very high	106 Å²	106	100.7 Å²	100.7	57%	0.567	49%	0.49	S	S	*	.	H	α-helix	trans	-65.7	-39.8	175.1	-76.8	-24.3	0	0	0	112	N321 V322 R323 N328 A329	N321-D325 WeakPolarHBondContact O-CB 3.34Å; N321-D325 PolarHBondContact O-N 3.41Å; V322-D325 PolarHBondContact O-N 2.94Å; R323-D325 VanDerWaalsContact C-N 3.3Å; R323-D325 PolarHBondContact O-N 3.28Å; D325-N328 PolarHBondContact O-N 3.46Å; D325-A329 VanDerWaalsContact O-CB 3.32Å; D325-A329 WeakPolarHBondContact O-CB 3.34Å; D325-A329 PolarHBondContact O-N 3.46Å
326	Q	92.4	Very high	90	Very high	113 Å²	113	99.5 Å²	99.5	53%	0.528	49%	0.492	S	S	.	.	H	α-helix	trans	-63.7	-45.4	173.3	-71.8	172.8	9.8	0	0	111.7	V322 R323 A329 Q330	V322-Q326 VanDerWaalsContact O-CG 3.31Å; V322-Q326 WeakPolarHBondContact O-CG 3.34Å; V322-Q326 PolarHBondContact O-N 3.38Å; R323-Q326 WeakPolarHBondContact O-CB 3.49Å; R323-Q326 PolarHBondContact O-N 3.02Å; Q326-A329 PolarHBondContact O-N 2.93Å; Q326-Q330 WeakPolarHBondContact O-CG 3.42Å; Q326-Q330 PolarHBondContact O-N 3.25Å
327	E	91.2	Very high	89.1	Confident	88 Å²	88	98.9 Å²	98.9	41%	0.411	50%	0.499	S	S	.	.	H	α-helix	trans	-61.2	-45.9	175.5	-73.4	173.7	-164.7	0	0	111.2	R323 L324 A329 Q330 L331	R323-E327 IonicContact NE-OE1 2.82Å; R323-E327 WeakPolarHBondContact O-CG 3.34Å; R323-E327 PolarHBondContact O-N 2.9Å; L324-E327 PolarHBondContact O-N 3Å; E327-A329 VanDerWaalsContact C-N 3.34Å; E327-A329 PolarHBondContact O-N 3.14Å; E327-Q330 PolarHBondContact O-N 3.06Å; E327-L331 WeakPolarHBondContact O-CG 3.5Å; E327-L331 PolarHBondContact O-N 2.92Å
328	N	91.4	Very high	88	Confident	83 Å²	83	100.7 Å²	100.7	44%	0.444	51%	0.508	S	S	.	.	H	α-helix	trans	-61.1	-40.7	175.7	-79	-35.7	0	0	0	112.1	L324 D325 L331 R332	L324-N328 VanDerWaalsContact O-CB 3.25Å; L324-N328 WeakPolarHBondContact O-CB 3.32Å; L324-N328 VanDerWaalsContact O-CG 3.22Å; L324-N328 PolarHBondContact O-N 2.98Å; L324-N328 PolarHBondContact O-ND2 2.79Å; L324-N328 VanDerWaalsContact O-ND2 3.13Å; D325-N328 PolarHBondContact O-N 3.46Å; N328-L331 PolarHBondContact O-N 3.47Å; N328-R332 WeakPolarHBondContact O-CG 3.39Å; N328-R332 PolarHBondContact O-N 2.86Å
329	A	91.7	Very high	86.6	Confident	50 Å²	50	105.5 Å²	105.5	41%	0.413	52%	0.522	S	S	.	.	H	α-helix	trans	-64.9	-42.8	175.4	0	0	0	0	0	111.8	D325 Q326 E327 L331 R332 L333	D325-A329 VanDerWaalsContact O-CB 3.32Å; D325-A329 WeakPolarHBondContact O-CB 3.34Å; D325-A329 PolarHBondContact O-N 3.46Å; Q326-A329 PolarHBondContact O-N 2.93Å; E327-A329 VanDerWaalsContact C-N 3.34Å; E327-A329 PolarHBondContact O-N 3.14Å; A329-L331 VanDerWaalsContact C-N 3.35Å; A329-L331 PolarHBondContact O-N 3.36Å; A329-R332 WeakPolarHBondContact O-CB 3.3Å; A329-R332 PolarHBondContact O-N 3.26Å; A329-L333 WeakPolarHBondContact O-CG 3.31Å; A329-L333 PolarHBondContact O-N 3.12Å
330	Q	90.8	Very high	84.7	Confident	109 Å²	109	106.3 Å²	106.3	51%	0.509	53%	0.53	S	S	.	.	H	α-helix	trans	-62.5	-41.5	174.7	-72	178.4	20.3	0	0	112	Q326 E327 R332 L333 K334	Q326-Q330 WeakPolarHBondContact O-CG 3.42Å; Q326-Q330 PolarHBondContact O-N 3.25Å; E327-Q330 PolarHBondContact O-N 3.06Å; Q330-R332 VanDerWaalsContact C-N 3.34Å; Q330-L333 PolarHBondContact O-N 2.95Å; Q330-K334 WeakPolarHBondContact O-CG 3.45Å; Q330-K334 PolarHBondContact O-N 3Å
331	L	89.8	Confident	82.5	Confident	92 Å²	92	108.4 Å²	108.4	48%	0.482	56%	0.557	S	S	.	*	H	α-helix	trans	-62.4	-41.5	175	-71.9	172.6	0	0	0	111.3	E327 N328 A329 L333 K334 I335	E327-L331 WeakPolarHBondContact O-CG 3.5Å; E327-L331 PolarHBondContact O-N 2.92Å; N328-L331 PolarHBondContact O-N 3.47Å; A329-L331 VanDerWaalsContact C-N 3.35Å; A329-L331 PolarHBondContact O-N 3.36Å; L331-L333 VanDerWaalsContact C-N 3.34Å; L331-L333 PolarHBondContact O-N 3.38Å; L331-K334 PolarHBondContact O-N 3.42Å; L331-I335 VanDerWaalsContact O-CG1 3.29Å; L331-I335 WeakPolarHBondContact O-CG1 3.37Å; L331-I335 PolarHBondContact O-N 2.48Å
332	R	85.5	Confident	80	Confident	184 Å²	184	106.7 Å²	106.7	69%	0.694	56%	0.562	S	S	*	*	H	α-helix	trans	-59.9	-42	173.5	-73.1	172.3	-178.8	-114.3	3.2	112.2	N328 A329 Q330 I335 N336	N328-R332 WeakPolarHBondContact O-CG 3.39Å; N328-R332 PolarHBondContact O-N 2.86Å; A329-R332 WeakPolarHBondContact O-CB 3.3Å; A329-R332 PolarHBondContact O-N 3.26Å; Q330-R332 VanDerWaalsContact C-N 3.34Å; R332-I335 PolarHBondContact O-N 3.01Å; R332-N336 PolarHBondContact O-N 2.89Å
333	L	84.3	Confident	77.5	Confident	115 Å²	115	109 Å²	109	60%	0.602	58%	0.578	S	S	*	*	H	α-helix	trans	-65	-40.6	175.7	-69.9	175.1	0	0	0	112.5	A329 Q330 L331 N336 S337	A329-L333 WeakPolarHBondContact O-CG 3.31Å; A329-L333 PolarHBondContact O-N 3.12Å; Q330-L333 PolarHBondContact O-N 2.95Å; L331-L333 VanDerWaalsContact C-N 3.34Å; L331-L333 PolarHBondContact O-N 3.38Å; L333-N336 PolarHBondContact O-N 3.28Å; L333-S337 PolarHBondContact O-N 3.32Å; L333-S337 PolarHBondContact O-OG 2.76Å
334	K	85.6	Confident	75.3	Confident	125 Å²	125	109.2 Å²	109.2	54%	0.543	60%	0.595	S	S	.	*	H	α-helix	trans	-63.2	-44	174.8	-73	174.9	-179.3	174.9	0	111.5	Q330 L331 N336 S337 I338	Q330-K334 WeakPolarHBondContact O-CG 3.45Å; Q330-K334 PolarHBondContact O-N 3Å; L331-K334 PolarHBondContact O-N 3.42Å; K334-N336 PolarHBondContact O-N 2.86Å; K334-S337 PolarHBondContact O-N 3.03Å; K334-I338 WeakPolarHBondContact O-CG1 3.5Å; K334-I338 PolarHBondContact O-N 2.79Å
335	I	81.6	Confident	72.7	Confident	100 Å²	100	109.5 Å²	109.5	51%	0.513	61%	0.608	S	S	.	*	H	α-helix	trans	-61.5	-44.1	175.8	-68.8	166.7	0	0	0	110.7	L331 R332 S337 I338 R339	L331-I335 VanDerWaalsContact O-CG1 3.29Å; L331-I335 WeakPolarHBondContact O-CG1 3.37Å; L331-I335 PolarHBondContact O-N 2.48Å; R332-I335 PolarHBondContact O-N 3.01Å; I335-S337 VanDerWaalsContact C-N 3.33Å; I335-S337 PolarHBondContact O-N 2.83Å; I335-I338 PolarHBondContact O-N 3.31Å; I335-R339 WeakPolarHBondContact O-CB 3.06Å; I335-R339 PolarHBondContact O-N 3.47Å
336	N	76.5	Confident	70.1	Confident	86 Å²	86	111.5 Å²	111.5	46%	0.46	62%	0.619	S	S	.	*	H	α-helix	trans	-63.7	-37.5	176.3	-80.6	-5.4	0	0	0	112.4	R332 L333 K334 I338 R339 N340	R332-N336 PolarHBondContact O-N 2.89Å; L333-N336 PolarHBondContact O-N 3.28Å; K334-N336 PolarHBondContact O-N 2.86Å; N336-I338 VanDerWaalsContact C-N 3.31Å; N336-I338 PolarHBondContact O-N 2.67Å; N336-R339 PolarHBondContact O-N 3.13Å; N336-N340 WeakPolarHBondContact O-CB 3.3Å; N336-N340 PolarHBondContact O-N 2.94Å
337	S	74.5	Confident	67.7	Low	92 Å²	92	112 Å²	112	64%	0.643	63%	0.629	S	S	*	*	H	α-helix	trans	-65.8	-34.1	176.6	-56.2	0	0	0	0	112.3	L333 K334 I335	L333-S337 PolarHBondContact O-N 3.32Å; L333-S337 PolarHBondContact O-OG 2.76Å; K334-S337 PolarHBondContact O-N 3.03Å; I335-S337 VanDerWaalsContact C-N 3.33Å; I335-S337 PolarHBondContact O-N 2.83Å
338	I	70.1	Confident	65.1	Low	146 Å²	146	116.2 Å²	116.2	75%	0.749	65%	0.649	S	S	*	*	H	α-helix	trans	-74.7	-35	174.9	-63.6	162.9	0	0	0	110.9	K334 I335 N336	K334-I338 WeakPolarHBondContact O-CG1 3.5Å; K334-I338 PolarHBondContact O-N 2.79Å; I335-I338 PolarHBondContact O-N 3.31Å; N336-I338 VanDerWaalsContact C-N 3.31Å; N336-I338 PolarHBondContact O-N 2.67Å
339	R	63	Low	62.3	Low	200 Å²	200	116.5 Å²	116.5	76%	0.755	66%	0.663	S	S	*	*	H	α-helix	trans	-77.4	-27	-179.3	-171.4	175.7	-86.8	-163.9	-4.9	113	I335 N336	I335-R339 WeakPolarHBondContact O-CB 3.06Å; I335-R339 PolarHBondContact O-N 3.47Å; N336-R339 PolarHBondContact O-N 3.13Å
340	N	53.3	Low	59.7	Low	121 Å²	121	120 Å²	120	65%	0.647	69%	0.685	S	S	*	*			trans	-107	64.1	-176	-65.6	-3	0	0	0	112	N336	N336-N340 WeakPolarHBondContact O-CB 3.3Å; N336-N340 PolarHBondContact O-N 2.94Å
341	G	47.5	Very low	57.3	Low	82 Å²	82	118.8 Å²	118.8	85%	0.845	69%	0.693	S	S	*	*			trans	-96.6	73.4	161	0	0	0	0	0	110.9
342	G	40.3	Very low	54.7	Low	59 Å²	59	121.8 Å²	121.8	61%	0.608	71%	0.708	S	S	*	*	S	Bend	trans	172.5	127.5	176.8	0	0	0	0	0	111.4
343	P	41.3	Very low	52.1	Low	129 Å²	129	120.3 Å²	120.3	84%	0.838	71%	0.714	S	S	*	*			trans	-90.9	123.1	-168.3	34.1	-28.6	0	0	0	110.8
344	T	45	Very low	50.2	Low	141 Å²	141	122.4 Å²	122.4	87%	0.865	72%	0.724	S	S	*	*			trans	-147.2	124	155.3	49.3	0	0	0	0	109.2
345	A	39	Very low	48	Very low	78 Å²	78	123.5 Å²	123.5	65%	0.645	73%	0.73	S	S	*	*			trans	-67.2	169.6	174.5	0	0	0	0	0	111.6
346	D	37.7	Very low	46.1	Very low	149 Å²	149	125.6 Å²	125.6	80%	0.797	74%	0.738	S	S	*	*			trans	97.8	133.2	154.5	-47.3	-29.9	0	0	0	117.9
347	T	42.4	Very low	44.1	Very low	122 Å²	122	129 Å²	129	75%	0.748	75%	0.749	S	S	*	*			trans	99.3	83.8	152.4	-13.6	0	0	0	0	117.5
348	E	35.6	Very low	42.5	Very low	178 Å²	178	131.8 Å²	131.8	83%	0.832	76%	0.761	S	S	*	*				34.8	126.7	117.1	-61.5	-175.2	158.2	0	0	120
349	A	33.4	Very low	40.9	Very low	89 Å²	89	132.8 Å²	132.8	74%	0.736	76%	0.76	S	S	*	*			trans	69.8	142.2	134.1	0	0	0	0	0	120
350	S	36.8	Very low	39.4	Very low	124 Å²	124	126.5 Å²	126.5	87%	0.867	76%	0.758	S	S	*	*			trans	82.9	132.1	171.6	-40.5	0	0	0	0	112.9
351	A	39.3	Very low	38.6	Very low	82 Å²	82	129 Å²	129	68%	0.678	77%	0.769	S	S	*	*			cis	-161.9	129.4	27.6	0	0	0	0	0	106.7
352	L	35.5	Very low	38	Very low	155 Å²	155	133.5 Å²	133.5	81%	0.812	77%	0.768	S	S	*	*				59.7	114.2	99.3	-64.8	170.7	0	0	0	115.3
353	L	32.4	Very low	37.6	Very low	154 Å²	154	142.8 Å²	142.8	81%	0.806	79%	0.785	S	S	*	*				61	101.2	118.5	-138.2	82	0	0	0	117.7
354	I	44.3	Very low	37.6	Very low	159 Å²	159	141 Å²	141	82%	0.815	78%	0.775	S	S	*	*			trans	-133.1	99.8	154.1	-59.4	-178.9	0	0	0	105.9
355	H	38	Very low	37.1	Very low	147 Å²	147	139.3 Å²	139.3	68%	0.681	77%	0.769	S	S	*	*				56.2	128.2	107.2	-96.5	-95.4	0	0	0	112.6
356	H	42	Very low	37	Very low	144 Å²	144	143.7 Å²	143.7	67%	0.667	78%	0.781	S	S	*	*			cis	-171.4	110.7	44.2	-138.4	-67.5	0	0	0	110.2
357	K	34.9	Very low	36.9	Very low	158 Å²	158	141.1 Å²	141.1	69%	0.687	78%	0.78	S	S	*	*			trans	14.2	107.1	131.4	-151.8	170.4	-168	170.4	0	117.2	K359	K357-K359 HydrophobicContact CG-CG 4.24Å
358	V	40.2	Very low	36.4	Very low	150 Å²	150	145.3 Å²	145.3	91%	0.909	79%	0.788	S	S	*	*			trans	-112.5	101	149	177.6	0	0	0	0	107.9
359	K	37.3	Very low	36.4	Very low	167 Å²	167	146.8 Å²	146.8	73%	0.726	79%	0.792	S	S	*	*			trans	-76.5	135.2	168.8	-87.8	177.6	165	-175.3	0	109	K357	K357-K359 HydrophobicContact CG-CG 4.24Å
360	G	30.3	Very low	36.2	Very low	68 Å²	68	148.9 Å²	148.9	70%	0.701	80%	0.796	S	S	*	*				85.3	106.3	127.4	0	0	0	0	0	117.8
361	I	37.8	Very low	36	Very low	175 Å²	175	149.2 Å²	149.2	90%	0.897	80%	0.797	S	S	*	*			trans	-127.1	116	133.7	-62.9	-178	0	0	0	107.1
362	Q	35.4	Very low	35.6	Very low	175 Å²	175	149.6 Å²	149.6	82%	0.818	80%	0.8	S	S	*	*			trans	-68.4	137	-176.1	-70.6	170	-31.8	0	0	110.8
363	R	32.1	Very low	35.5	Very low	255 Å²	255	152 Å²	152	96%	0.962	80%	0.803	S	S	*	*			trans	-77.5	116	158.8	-69.5	177.1	172.4	-174.3	-3.3	107.9
364	S	39.3	Very low	35.5	Very low	91 Å²	91	148.8 Å²	148.8	64%	0.636	80%	0.8	S	S	*	*			trans	-125.2	113.5	163.2	49	0	0	0	0	106.5
365	S	35.7	Very low	34.9	Very low	105 Å²	105	149.4 Å²	149.4	73%	0.734	80%	0.804	S	S	*	*				61	91.1	73.7	76.5	0	0	0	0	114
366	L	37.5	Very low	34.6	Very low	170 Å²	170	146.4 Å²	146.4	89%	0.89	81%	0.812	S	S	*	*			trans	-153.5	88.4	151.5	-84.5	117.4	0	0	0	106.2
367	A	34.4	Very low	34	Very low	95 Å²	95	142.9 Å²	142.9	79%	0.785	82%	0.815	S	S	*	*				59.4	93.8	72.9	0	0	0	0	0	113.8
368	K	32.7	Very low	34.1	Very low	211 Å²	211	143.2 Å²	143.2	92%	0.917	82%	0.824	S	S	*	*			trans	9.9	121.5	142.7	-77.8	170.5	175.4	173	0	116.5
369	K	35.2	Very low	33.7	Very low	208 Å²	208	146 Å²	146	90%	0.904	82%	0.824	S	S	*	*			trans	-139.4	102.3	149.8	-152.2	167.9	-173.2	174.9	0	110.4
370	T	28.6	Very low	33.6	Very low	133 Å²	133	143 Å²	143	82%	0.816	82%	0.824	S	S	*	*			trans	-66.4	138.8	160.4	46.5	0	0	0	0	109.7
371	C	33.2	Very low	33.5	Very low	132 Å²	132	145.4 Å²	145.4	89%	0.892	83%	0.825	S	S	*	*			trans	-160	123.3	138.6	-154	0	0	0	0	110.2
372	A	30.8	Very low	33.1	Very low	89 Å²	89	147.7 Å²	147.7	74%	0.736	82%	0.822	S	S	*	*			trans	-71.9	153.2	175.8	0	0	0	0	0	112.2
373	K	33.8	Very low	33	Very low	205 Å²	205	147.6 Å²	147.6	89%	0.891	82%	0.819	S	S	*	*			trans	-169.8	125.9	144.2	-115.5	167.5	-178.5	174.7	0	112.5
374	A	31.8	Very low	33	Very low	88 Å²	88	143.2 Å²	143.2	73%	0.727	81%	0.814	S	S	*	*			trans	71.7	141.8	139.9	0	0	0	0	0	117.3
375	L	31.9	Very low	32.9	Very low	172 Å²	172	145 Å²	145	90%	0.901	82%	0.816	S	S	*	*			cis	-172.5	145.2	11.2	-146.4	72.7	0	0	0	108.2
376	G	31.4	Very low	32.9	Very low	83 Å²	83	146 Å²	146	86%	0.856	82%	0.82	S	S	*	*			trans	85.9	134.1	157.7	0	0	0	0	0	116
377	G	29.8	Very low	32.5	Very low	70 Å²	70	145.2 Å²	145.2	72%	0.722	82%	0.817	S	S	*	*			cis	156	73.6	4.2	0	0	0	0	0	109
378	D	36	Very low	32.5	Very low	165 Å²	165	149.2 Å²	149.2	88%	0.882	82%	0.819	S	S	*	*			trans	-106.8	114.6	176.4	-81.2	-29.2	0	0	0	111.7	S380	D378-S380 VanDerWaalsContact C-N 3.32Å; D378-S380 PolarHBondContact O-N 2.73Å; D378-S380 VanDerWaalsContact O-N 3.1Å
379	K	32.2	Very low	32.5	Very low	210 Å²	210	148.2 Å²	148.2	91%	0.913	82%	0.818	S	S	*	*			trans	-78.6	81.7	171.9	-63.1	174.3	-177	174.9	0	108.1
380	S	34.7	Very low	32.4	Very low	103 Å²	103	143.3 Å²	143.3	72%	0.72	81%	0.807	S	S	*	*			trans	-84.7	114.6	165.7	-174.2	0	0	0	0	109.1	D378 R382	D378-S380 VanDerWaalsContact C-N 3.32Å; D378-S380 PolarHBondContact O-N 2.73Å; D378-S380 VanDerWaalsContact O-N 3.1Å; S380-R382 PolarHBondContact O-N 3.32Å
381	V	28.2	Very low	32.7	Very low	119 Å²	119	140.2 Å²	140.2	72%	0.721	80%	0.795	S	S	*	*			trans	-68	96.6	174.6	176.9	0	0	0	0	107.7	F383	V381-F383 HydrophobicContact CG1-CD2 4.31Å; V381-F383 HydrophobicContact CG1-CE2 4.17Å; V381-F383 PolarHBondContact O-N 2.7Å
382	R	30.6	Very low	32.8	Very low	222 Å²	222	142.3 Å²	142.3	84%	0.838	79%	0.792	S	S	*	*			trans	-76.9	102.8	176.1	-151.9	179.9	-157.4	163.4	3.6	108	S380 L384	S380-R382 PolarHBondContact O-N 3.32Å; R382-L384 PolarHBondContact O-N 2.97Å
383	F	33.9	Very low	32.8	Very low	174 Å²	174	144.8 Å²	144.8	76%	0.763	79%	0.786	S	S	*	*			trans	-66.9	112	167.2	-88.7	-92.2	0	0	0	108.3	V381 L385	V381-F383 HydrophobicContact CG1-CD2 4.31Å; V381-F383 HydrophobicContact CG1-CE2 4.17Å; V381-F383 PolarHBondContact O-N 2.7Å; F383-L385 PolarHBondContact O-N 2.76Å
384	L	32.1	Very low	33	Very low	162 Å²	162	139.8 Å²	139.8	85%	0.848	77%	0.772	S	S	*	*			trans	-70.9	102.1	170.4	-68.5	166.6	0	0	0	108	R382	R382-L384 PolarHBondContact O-N 2.97Å
385	L	36.6	Very low	33.1	Very low	130 Å²	130	144.2 Å²	144.2	68%	0.681	77%	0.77	S	S	*	*			trans	-83.8	133.8	155.8	-84.9	123.1	0	0	0	107.6	F383 D387	F383-L385 PolarHBondContact O-N 2.76Å; L385-D387 PolarHBondContact O-N 2.83Å
386	P	34.5	Very low	33.5	Very low	126 Å²	126	139.9 Å²	139.9	82%	0.818	75%	0.751	S	S	*	*			trans	-56.6	132	-179.2	-23.5	32.7	0	0	0	112.4	E388	P386-E388 PolarHBondContact O-N 2.77Å; P386-E388 VanDerWaalsContact O-N 3.16Å
387	D	30.8	Very low	33.7	Very low	153 Å²	153	143.4 Å²	143.4	82%	0.818	75%	0.745	S	S	*	*	S	Bend	trans	-60.1	102.8	174.9	-65.8	-47.6	0	0	0	110.3	L385	L385-D387 PolarHBondContact O-N 2.83Å
388	E	34.3	Very low	34.2	Very low	179 Å²	179	147.8 Å²	147.8	84%	0.836	75%	0.752	S	S	*	*			trans	-179.4	97.5	151.4	-83.5	-46.7	117.9	0	0	105.1	P386	P386-E388 PolarHBondContact O-N 2.77Å; P386-E388 VanDerWaalsContact O-N 3.16Å
389	E	32.6	Very low	34.4	Very low	190 Å²	190	144 Å²	144	89%	0.888	73%	0.726	S	S	*	*	S	Bend	trans	146.4	137.4	160.8	-73.4	-104.5	155	0	0	110.9
390	P	33.5	Very low	34.5	Very low	104 Å²	104	138.5 Å²	138.5	68%	0.675	72%	0.719	S	S	*	*			trans	-83.6	140	-152	31.9	-34.2	0	0	0	115.8
391	A	34.5	Very low	34.5	Very low	69 Å²	69	139.4 Å²	139.4	57%	0.57	72%	0.72	S	S	*	*			trans	79.4	99.6	151	0	0	0	0	0	118.8	R485	A391-R485 PolarHBondContact O-NH1 3.32Å
392	E	33.9	Very low	34.6	Very low	175 Å²	175	142.6 Å²	142.6	82%	0.818	73%	0.727	S	S	*	*			trans	51.9	84.9	132.6	-62.6	-165.5	170.4	0	0	118.4	V394	E392-V394 HydrophobicContact CB-CG2 4.29Å; E392-V394 PolarHBondContact O-N 2.92Å
393	F	32.1	Very low	34.9	Very low	141 Å²	141	137.4 Å²	137.4	62%	0.618	72%	0.72	S	S	*	*			trans	-78.9	86.1	156.5	-157.5	-89.8	0	0	0	109.4	R395 L497	F393-R395 HydrophobicContact CD1-CG 4.46Å; F393-R395 HydrophobicContact CE1-CG 4.28Å; F393-L497 HydrophobicContact CE1-CD2 3.94Å; F393-L497 HydrophobicContact CE2-CD2 3.99Å; F393-L497 HydrophobicContact CZ-CD2 3.27Å
394	V	37.5	Very low	34.9	Very low	100 Å²	100	136 Å²	136	61%	0.606	72%	0.721	S	S	*	*			trans	-87.8	114.5	172	179.3	0	0	0	0	109	E392 T396	E392-V394 HydrophobicContact CB-CG2 4.29Å; E392-V394 PolarHBondContact O-N 2.92Å; V394-T396 PolarHBondContact O-N 3.43Å
395	R	33.3	Very low	35.3	Very low	181 Å²	181	135.6 Å²	135.6	68%	0.683	72%	0.718	S	S	*	*			trans	-66	122.1	168.6	-75.3	-177.4	171.3	159.4	-1.4	109.8	F393 E397	F393-R395 HydrophobicContact CD1-CG 4.46Å; F393-R395 HydrophobicContact CE1-CG 4.28Å; R395-E397 VanDerWaalsContact C-N 3.3Å; R395-E397 HydrophobicContact CB-CG 4.48Å; R395-E397 PolarHBondContact O-N 3.19Å
396	T	40.5	Very low	35.3	Very low	81 Å²	81	135.8 Å²	135.8	50%	0.497	72%	0.72	S	S	.	*			trans	-83.3	64.9	-175.8	-13.6	0	0	0	0	111.9	V394 N398 R399	V394-T396 PolarHBondContact O-N 3.43Å; T396-N398 PolarHBondContact O-N 2.87Å; T396-R399 HydrophobicContact CG2-CB 4.24Å
397	E	37.4	Very low	35.3	Very low	158 Å²	158	135.2 Å²	135.2	74%	0.738	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	2.4	174.8	-59.5	179.4	-152.2	0	0	112.7	R395	R395-E397 VanDerWaalsContact C-N 3.3Å; R395-E397 HydrophobicContact CB-CG 4.48Å; R395-E397 PolarHBondContact O-N 3.19Å
398	N	39	Very low	35.6	Very low	162 Å²	162	132.4 Å²	132.4	87%	0.866	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	12.9	-175.5	-74.3	-46.1	0	0	0	115.4	T396 A400	T396-N398 PolarHBondContact O-N 2.87Å; N398-A400 PolarHBondContact O-N 3.46Å
399	R	39.6	Very low	35.7	Very low	86 Å²	86	134.3 Å²	134.3	33%	0.325	72%	0.717	S	S	.	*			trans	-103.8	61.7	-173.6	-146.8	-173	-177.1	103.6	2	113.1	T396 E456	T396-R399 HydrophobicContact CG2-CB 4.24Å; R399-E456 IonicContact CZ-OE1 3.87Å; R399-E456 IonicContact CZ-OE2 2.95Å; R399-E456 IonicContact NE-OE1 3.87Å; R399-E456 PolarHBondContact NE-OE1 2.76Å; R399-E456 IonicContact NH1-OE1 3.86Å; R399-E456 PolarHBondContact NH1-OE1 2.71Å; R399-E456 IonicContact NH1-OE2 2.76Å; R399-E456 PolarHBondContact NH1-OE2 3.14Å; R399-E456 IonicContact NH2-OE1 3.56Å; R399-E456 PolarHBondContact NH2-OE1 3.35Å; R399-E456 IonicContact NH2-OE2 2.64Å; R399-E456 PolarHBondContact NH2-OE2 3.3Å
400	A	34.8	Very low	35.8	Very low	93 Å²	93	133.6 Å²	133.6	77%	0.769	71%	0.713	S	S	*	*			trans	-66.8	131.6	170.1	0	0	0	0	0	110.5	N398 Q402	N398-A400 PolarHBondContact O-N 3.46Å; A400-Q402 PolarHBondContact O-N 3.15Å
401	V	34	Very low	35.7	Very low	122 Å²	122	132 Å²	132	74%	0.739	72%	0.717	S	S	*	*			trans	-50.5	116.3	176.1	177.8	0	0	0	0	110.7	T403	V401-T403 HydrophobicContact CG1-CG2 3.75Å
402	Q	32.2	Very low	35.5	Very low	187 Å²	187	133.8 Å²	133.8	87%	0.874	73%	0.731	S	S	*	*			trans	-110	87.4	165.2	-124.7	174.7	-8.9	0	0	107.2	A400	A400-Q402 PolarHBondContact O-N 3.15Å
403	T	36.3	Very low	35.6	Very low	112 Å²	112	131.7 Å²	131.7	69%	0.687	73%	0.73	S	S	*	*			trans	-82.4	123.2	163.2	45.1	0	0	0	0	108.5	V401	V401-T403 HydrophobicContact CG1-CG2 3.75Å
404	D	34.1	Very low	35.5	Very low	146 Å²	146	131.7 Å²	131.7	78%	0.781	74%	0.741	S	S	*	*			trans	27	128.5	151.6	-55.9	-26.7	0	0	0	120.1
405	L	39	Very low	35.1	Very low	152 Å²	152	133.9 Å²	133.9	80%	0.796	75%	0.748	S	S	*	*				179.2	127.3	110.8	-105.2	92.3	0	0	0	110.5
406	D	37.4	Very low	34.9	Very low	134 Å²	134	129.6 Å²	129.6	72%	0.717	74%	0.744	S	S	*	*			trans	77.7	98.8	146.4	-56.9	-18.9	0	0	0	123
407	S	34.9	Very low	34.2	Very low	115 Å²	115	130.7 Å²	130.7	80%	0.804	75%	0.754	S	S	*	*				44.3	108.8	113.4	-58.2	0	0	0	0	120.1
408	A	36.2	Very low	33.8	Very low	94 Å²	94	130.6 Å²	130.6	78%	0.777	76%	0.757	S	S	*	*				160.8	119.7	105.2	0	0	0	0	0	114.3
409	R	36	Very low	33.3	Very low	218 Å²	218	127.6 Å²	127.6	82%	0.823	74%	0.744	S	S	*	*			trans	75.8	112	139.2	-72.5	-173.6	162.8	146.1	1.4	123.1
410	E	34.9	Very low	32.7	Very low	175 Å²	175	127.6 Å²	127.6	82%	0.818	76%	0.763	S	S	*	*				84.5	103.2	125.6	-71	173	-158.5	0	0	119.8
411	G	33.2	Very low	32.4	Very low	72 Å²	72	131.4 Å²	131.4	74%	0.742	77%	0.765	S	S	*	*			trans	166.5	69.2	162.6	0	0	0	0	0	116
412	A	30.3	Very low	32.2	Very low	105 Å²	105	133.4 Å²	133.4	87%	0.868	77%	0.766	S	S	*	*			trans	30.8	84.2	155.8	0	0	0	0	0	119.9
413	V	34.1	Very low	32	Very low	132 Å²	132	131.9 Å²	131.9	80%	0.8	76%	0.756	S	S	*	*			trans	-146.7	139.5	152.8	-174.9	0	0	0	0	108.9	I415	V413-I415 PolarHBondContact O-N 2.88Å
414	V	30	Very low	31.5	Very low	141 Å²	141	137 Å²	137	86%	0.855	77%	0.769	S	S	*	*			trans	-34.5	117.9	-176.6	-176.9	0	0	0	0	113.8
415	I	29.4	Very low	30.9	Very low	146 Å²	146	139.8 Å²	139.8	75%	0.749	78%	0.775	S	S	*	*			trans	-85.7	124	-178.7	-60.4	168.7	0	0	0	109.3	V413 S417	V413-I415 PolarHBondContact O-N 2.88Å; I415-S417 PolarHBondContact O-N 2.89Å
416	P	29.3	Very low	30.5	Very low	91 Å²	91	136.6 Å²	136.6	59%	0.591	77%	0.771	S	S	*	*			trans	-70.5	123.4	160.4	-4.4	21.4	0	0	0	108.3	I418	P416-I418 PolarHBondContact O-N 2.89Å; P416-I418 VanDerWaalsContact O-N 3.14Å
417	S	26.8	Very low	30.1	Very low	103 Å²	103	135.8 Å²	135.8	72%	0.72	77%	0.771	S	S	*	*			trans	-59.1	111.2	-176.1	-173.1	0	0	0	0	111.8	I415 V419	I415-S417 PolarHBondContact O-N 2.89Å; S417-V419 PolarHBondContact O-N 2.89Å
418	I	29.1	Very low	29.8	Very low	156 Å²	156	136.8 Å²	136.8	80%	0.8	77%	0.767	S	S	*	*			trans	-81.9	98.6	167	-61.6	169.7	0	0	0	107	P416 A420	P416-I418 PolarHBondContact O-N 2.89Å; P416-I418 VanDerWaalsContact O-N 3.14Å; I418-A420 PolarHBondContact O-N 3.03Å
419	V	27.8	Very low	29.5	Very low	99 Å²	99	139.4 Å²	139.4	60%	0.6	77%	0.768	S	S	*	*			trans	-85.1	84.7	170.2	-177.2	0	0	0	0	108.3	S417 H421	S417-V419 PolarHBondContact O-N 2.89Å; V419-H421 WeakPolarHBondContact CG1-CE1 3.22Å; V419-H421 WeakPolarHBondContact CG1-ND1 3.29Å; V419-H421 PolarHBondContact O-N 3.4Å
420	A	27.3	Very low	29.2	Very low	86 Å²	86	138 Å²	138	71%	0.711	77%	0.771	S	S	*	*			trans	-79.5	105.9	162.8	0	0	0	0	0	107.9	I418	I418-A420 PolarHBondContact O-N 3.03Å
421	H	28.1	Very low	28.8	Very low	174 Å²	174	133.5 Å²	133.5	81%	0.806	76%	0.763	S	S	*	*			trans	-105.1	104.6	169.4	-79.7	18.5	0	0	0	108.8	V419	V419-H421 WeakPolarHBondContact CG1-CE1 3.22Å; V419-H421 WeakPolarHBondContact CG1-ND1 3.29Å; V419-H421 PolarHBondContact O-N 3.4Å
422	Q	28.9	Very low	28.7	Very low	163 Å²	163	137.2 Å²	137.2	76%	0.762	77%	0.766	S	S	*	*			trans	-121.8	121.5	167.8	-141.9	-172.7	48.5	0	0	109.6
423	K	28.1	Very low	28.8	Very low	156 Å²	156	141.1 Å²	141.1	68%	0.678	77%	0.766	S	S	*	*			trans	71.7	114.4	160.9	-68.7	161.5	-178.1	172.8	0	118.1
424	F	25.8	Very low	28.5	Very low	218 Å²	218	146.5 Å²	146.5	96%	0.956	77%	0.772	S	S	*	*				-144.9	108.6	119.6	-92.2	-78.4	0	0	0	109.3
425	F	23.3	Very low	28.3	Very low	205 Å²	205	147.2 Å²	147.2	90%	0.899	77%	0.772	S	S	*	*			trans	-95.6	123.8	158.4	-80.2	-81.7	0	0	0	107.4
426	A	29	Very low	28.5	Very low	86 Å²	86	146.2 Å²	146.2	71%	0.711	77%	0.772	S	S	*	*			trans	167.5	135.6	154.9	0	0	0	0	0	106.8
427	T	29.6	Very low	28.3	Very low	117 Å²	117	145.6 Å²	145.6	72%	0.718	78%	0.782	S	S	*	*			cis	-173.8	152.2	1.6	23	0	0	0	0	105.9
428	N	28.3	Very low	28.7	Very low	136 Å²	136	147.7 Å²	147.7	73%	0.727	78%	0.784	S	S	*	*			trans	70.5	106.7	148.5	-63.2	-5.2	0	0	0	119.6
429	N	30.7	Very low	28.9	Very low	148 Å²	148	143.2 Å²	143.2	79%	0.791	76%	0.761	S	S	*	*				-179.9	101.1	101.9	-81.2	-24.9	0	0	0	106.5
430	Q	29.6	Very low	29.1	Very low	189 Å²	189	147.3 Å²	147.3	88%	0.883	77%	0.773	S	S	*	*				71.8	121.8	88.8	-153.2	179.1	50.1	0	0	112.4
431	A	27.3	Very low	30	Very low	80 Å²	80	149.3 Å²	149.3	66%	0.661	77%	0.767	S	S	*	*			trans	90.2	115.6	167.1	0	0	0	0	0	117.1
432	D	29.9	Very low	30.8	Very low	150 Å²	150	144.2 Å²	144.2	80%	0.802	75%	0.75	S	S	*	*			trans	102.6	125.7	142.4	-58.7	-26.2	0	0	0	120.4
433	E	31.5	Very low	31.7	Very low	187 Å²	187	141.8 Å²	141.8	87%	0.874	75%	0.746	S	S	*	*			trans	87.2	94.7	152.4	-68.3	177.2	177.8	0	0	119.7
434	R	28.6	Very low	33.4	Very low	246 Å²	246	138.9 Å²	138.9	93%	0.928	73%	0.731	S	S	*	*			trans	-30.2	144.2	148.8	-63.6	165.7	174.5	155.7	-1.9	113.1
435	N	26.6	Very low	35.5	Very low	156 Å²	156	132.5 Å²	132.5	83%	0.834	71%	0.71	S	S	*	*			trans	81.1	87.3	169.6	-77.7	-3.8	0	0	0	118.2
436	T	32.3	Very low	38.1	Very low	124 Å²	124	127.2 Å²	127.2	76%	0.761	69%	0.687	S	S	*	*			trans	-156.8	112.6	133.3	45.5	0	0	0	0	110.4	I438	T436-I438 PolarHBondContact O-N 2.88Å; T436-I438 VanDerWaalsContact O-N 3.08Å
437	G	26.6	Very low	40.7	Very low	78 Å²	78	127.7 Å²	127.7	80%	0.804	67%	0.674	S	S	*	*			trans	-72.6	91	166	0	0	0	0	0	110.2	M439	G437-M439 PolarHBondContact O-N 3.24Å
438	I	34	Very low	43.4	Very low	147 Å²	147	127.7 Å²	127.7	75%	0.754	66%	0.661	S	S	*	*			trans	-78.6	117.1	171.6	-61.1	174.1	0	0	0	107.7	T436 Q440	T436-I438 PolarHBondContact O-N 2.88Å; T436-I438 VanDerWaalsContact O-N 3.08Å; I438-Q440 PolarHBondContact O-N 3.4Å
439	M	33.9	Very low	46.2	Very low	63 Å²	63	124.8 Å²	124.8	31%	0.31	65%	0.648	S	S	.	*			trans	-61.3	113.2	179.4	-159.9	174.8	74.2	0	0	109.4	N81 K85 G437 H441	N81-M439 HydrophobicContact CB-CE 4.18Å; N81-M439 WeakPolarHBondContact OD1-CE 3.47Å; K85-M439 HydrophobicContact CD-SD 4.02Å; K85-M439 WeakPolarHBondContact CE-SD 3.31Å; K85-M439 HydrophobicContact CG-SD 3.68Å; G437-M439 PolarHBondContact O-N 3.24Å; M439-H441 PolarHBondContact O-N 3.46Å
440	Q	32.1	Very low	48.8	Very low	184 Å²	184	120.7 Å²	120.7	86%	0.86	62%	0.621	S	S	*	*			trans	-66.3	115.7	171.6	-85	177.6	-19.4	0	0	109.2	I438	I438-Q440 PolarHBondContact O-N 3.4Å
441	H	45.1	Very low	51.3	Low	128 Å²	128	117.3 Å²	117.3	59%	0.593	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-56.7	137.3	163.3	-61.6	-71.9	0	0	0	108.9	M439 T443	M439-H441 PolarHBondContact O-N 3.46Å; H441-T443 PolarHBondContact O-N 2.92Å; H441-T443 VanDerWaalsContact O-N 3.11Å
442	P	45.1	Very low	54	Low	67 Å²	67	118.2 Å²	118.2	44%	0.435	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-58.6	124.9	170.4	25.4	-31.4	0	0	0	107	R444 Y459 A460	P442-R444 PolarHBondContact O-N 3.4Å; P442-Y459 HydrophobicContact CG-CD1 4.42Å; P442-A460 HydrophobicContact CB-CB 4.49Å
443	T	47.4	Very low	56.6	Low	112 Å²	112	112.8 Å²	112.8	69%	0.687	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-50.8	117.8	178.9	41.2	0	0	0	0	109.2	H441 T445	H441-T443 PolarHBondContact O-N 2.92Å; H441-T443 VanDerWaalsContact O-N 3.11Å; T443-T445 PolarHBondContact O-N 3.16Å; T443-T445 VanDerWaalsContact O-N 3.15Å
444	R	64.6	Low	59.3	Low	96 Å²	96	104 Å²	104	36%	0.362	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-53.3	118.9	172.3	-171.9	172.2	-174.7	-128.6	7.1	107.7	P442 E447 S457	P442-R444 PolarHBondContact O-N 3.4Å; R444-E447 VanDerWaalsContact CZ-CB 3.49Å; R444-E447 IonicContact CZ-OE1 2.64Å; R444-E447 IonicContact CZ-OE2 3.75Å; R444-E447 VanDerWaalsContact NH1-CB 3.33Å; R444-E447 IonicContact NH1-OE1 2.94Å; R444-E447 PolarHBondContact NH1-OE1 2.76Å; R444-E447 IonicContact NH1-OE2 2.97Å; R444-E447 PolarHBondContact NH1-OE2 3.37Å; R444-E447 IonicContact NH2-OE1 2.66Å; R444-E447 PolarHBondContact NH2-OE1 3.34Å; R444-E447 IonicContact NH2-OE2 3.93Å; R444-S457 VanDerWaalsContact CZ-OG 3.23Å; R444-S457 PolarHBondContact NE-OG 3.45Å; R444-S457 PolarHBondContact NH2-OG 2.88Å
445	T	69.9	Low	62.1	Low	84 Å²	84	94.1 Å²	94.1	52%	0.515	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-36.8	-172.2	49.3	0	0	0	0	110.8	T443 M458 A460	T443-T445 PolarHBondContact O-N 3.16Å; T443-T445 VanDerWaalsContact O-N 3.15Å; T445-M458 PolarHBondContact N-O 3.11Å; T445-M458 VanDerWaalsContact OG1-C 3.32Å; T445-M458 PolarHBondContact OG1-O 2.64Å; T445-A460 HydrophobicContact CG2-CB 3.8Å
446	F	77.5	Confident	65.2	Low	94 Å²	94	86.8 Å²	86.8	41%	0.412	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	148.5	-174.5	179.4	-108	0	0	0	111.9	R448 S457 M458	F446-R448 HydrophobicContact CD1-CB 4.49Å; F446-R448 HydrophobicContact CE1-CB 3.63Å; F446-R448 HydrophobicContact CE1-CG 4.46Å; F446-R448 HydrophobicContact CZ-CB 4.06Å; F446-S457 WeakPolarHBondContact O-CA 3.49Å; F446-M458 HydrophobicContact CB-CB 4.42Å; F446-M458 HydrophobicContact CD1-SD 4.17Å; F446-M458 PolarHBondContact N-O 3.05Å; F446-M458 PolarHBondContact O-N 2.91Å
447	E	84.4	Confident	67.9	Low	96 Å²	96	81.1 Å²	81.1	45%	0.449	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	139	170.7	179.9	162	-139.2	0	0	110.1	R444 E456	R444-E447 VanDerWaalsContact CZ-CB 3.49Å; R444-E447 IonicContact CZ-OE1 2.64Å; R444-E447 IonicContact CZ-OE2 3.75Å; R444-E447 VanDerWaalsContact NH1-CB 3.33Å; R444-E447 IonicContact NH1-OE1 2.94Å; R444-E447 PolarHBondContact NH1-OE1 2.76Å; R444-E447 IonicContact NH1-OE2 2.97Å; R444-E447 PolarHBondContact NH1-OE2 3.37Å; R444-E447 IonicContact NH2-OE1 2.66Å; R444-E447 PolarHBondContact NH2-OE1 3.34Å; R444-E447 IonicContact NH2-OE2 3.93Å; E447-E456 CarbonylContact C-O 3.51Å; E447-E456 VanDerWaalsContact CA-O 3.3Å; E447-E456 WeakPolarHBondContact CA-O 3.23Å
448	R	86.2	Confident	70.9	Confident	116 Å²	116	80.3 Å²	80.3	44%	0.438	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	130.2	169.9	-173.5	178.5	-63.6	-179.4	1.3	110.3	F446 T455 E456	F446-R448 HydrophobicContact CD1-CB 4.49Å; F446-R448 HydrophobicContact CE1-CB 3.63Å; F446-R448 HydrophobicContact CE1-CG 4.46Å; F446-R448 HydrophobicContact CZ-CB 4.06Å; R448-T455 CarbonylContact O-C 3.59Å; R448-E456 PolarHBondContact N-O 3.16Å; R448-E456 PolarHBondContact O-N 3.11Å
449	V	87.6	Confident	73.4	Confident	75 Å²	75	76.1 Å²	76.1	46%	0.455	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.7	165.1	-173.2	0	0	0	0	107.8	T455	V449-T455 HydrophobicContact CG1-CG2 4.49Å; V449-T455 HydrophobicContact CG2-CG2 4.14Å
450	R	84	Confident	75.8	Confident	62 Å²	62	76.1 Å²	76.1	23%	0.234	41%	0.413	C	S	.	.			trans	-85.6	168.8	178.6	-58.2	-161.7	-167.1	130.1	-12.4	111	D452 G453 S454 E456 E466	R450-D452 VanDerWaalsContact CB-OD1 3.26Å; R450-D452 WeakPolarHBondContact CB-OD1 3.45Å; R450-D452 PolarHBondContact O-N 3.34Å; R450-G453 PolarHBondContact O-N 2.79Å; R450-S454 WeakPolarHBondContact CB-OG 3.4Å; R450-S454 WeakPolarHBondContact CD-OG 3.42Å; R450-S454 PolarHBondContact N-O 2.92Å; R450-S454 PolarHBondContact NH1-OG 3.19Å; R450-E456 IonicContact CZ-OE2 2.94Å; R450-E456 IonicContact NE-OE2 2.93Å; R450-E456 PolarHBondContact NE-OE2 2.78Å; R450-E456 IonicContact NH2-OE1 2.63Å; R450-E456 IonicContact NH2-OE2 3.37Å; R450-E456 PolarHBondContact NH2-OE2 2.83Å; R450-E466 IonicContact CZ-OE1 2.69Å; R450-E466 IonicContact CZ-OE2 2.75Å; R450-E466 IonicContact NH1-OE1 2.75Å; R450-E466 PolarHBondContact NH1-OE1 3.29Å; R450-E466 IonicContact NH1-OE2 3.21Å; R450-E466 PolarHBondContact NH1-OE2 3.43Å; R450-E466 IonicContact NH2-OE1 3.21Å; R450-E466 IonicContact NH2-OE2 3.77Å; R450-E466 PolarHBondContact NH2-OE2 2.99Å
451	A	82.2	Confident	78.3	Confident	118 Å²	118	71.6 Å²	71.6	98%	0.975	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.3	-175.3	0	0	0	0	0	113.9	G453	A451-G453 VanDerWaalsContact C-N 3.33Å
452	D	84.6	Confident	80.2	Confident	100 Å²	100	67.8 Å²	67.8	54%	0.535	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-5	176.2	62.4	-7.2	0	0	0	113.4	R450 S454 P469	R450-D452 VanDerWaalsContact CB-OD1 3.26Å; R450-D452 WeakPolarHBondContact CB-OD1 3.45Å; R450-D452 PolarHBondContact O-N 3.34Å; D452-S454 WeakPolarHBondContact OD1-CB 3.33Å; D452-S454 PolarHBondContact OD1-N 2.93Å; D452-S454 PolarHBondContact OD1-OG 3.02Å; D452-S454 PolarHBondContact OD2-OG 3.21Å; D452-P469 WeakPolarHBondContact O-CB 3.5Å; D452-P469 WeakPolarHBondContact O-CG 3.33Å
453	G	84.6	Confident	82.3	Confident	36 Å²	36	65 Å²	65	37%	0.371	37%	0.372	S	S	.	.	S	Bend	trans	91.4	-4.2	-175	0	0	0	0	0	114.6	R450 A451	R450-G453 PolarHBondContact O-N 2.79Å; A451-G453 VanDerWaalsContact C-N 3.33Å
454	S	87.3	Confident	84.4	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.007	34%	0.344	C	S	.	.			trans	-66.5	143.2	173.7	62.9	0	0	0	0	110.2	R450 D452 V467	R450-S454 WeakPolarHBondContact CB-OG 3.4Å; R450-S454 WeakPolarHBondContact CD-OG 3.42Å; R450-S454 PolarHBondContact N-O 2.92Å; R450-S454 PolarHBondContact NH1-OG 3.19Å; D452-S454 WeakPolarHBondContact OD1-CB 3.33Å; D452-S454 PolarHBondContact OD1-N 2.93Å; D452-S454 PolarHBondContact OD1-OG 3.02Å; D452-S454 PolarHBondContact OD2-OG 3.21Å; S454-V467 CarbonylContact C-O 3.53Å; S454-V467 VanDerWaalsContact CA-O 3.23Å; S454-V467 WeakPolarHBondContact CA-O 3.49Å; S454-V467 VanDerWaalsContact CB-O 3.28Å; S454-V467 WeakPolarHBondContact CB-O 3.13Å
455	T	89.3	Confident	85.8	Confident	39 Å²	39	57.2 Å²	57.2	24%	0.239	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	145	177.8	68.8	0	0	0	0	110.3	R448 V449 E466 V467	R448-T455 CarbonylContact O-C 3.59Å; V449-T455 HydrophobicContact CG1-CG2 4.49Å; V449-T455 HydrophobicContact CG2-CG2 4.14Å; T455-E466 CarbonylContact O-C 3.55Å; T455-E466 WeakPolarHBondContact O-CA 3.32Å; T455-V467 PolarHBondContact N-O 3.3Å; T455-V467 PolarHBondContact O-N 2.99Å; T455-V467 WeakPolarHBondContact OG1-CB 3.25Å
456	E	90.7	Very high	86.8	Confident	3 Å²	3	55.7 Å²	55.7	1%	0.014	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.3	-178.8	-171.4	176.7	171.1	0	0	111.3	R399 E447 R448 R450 V464 Q465	R399-E456 IonicContact CZ-OE1 3.87Å; R399-E456 IonicContact CZ-OE2 2.95Å; R399-E456 IonicContact NE-OE1 3.87Å; R399-E456 PolarHBondContact NE-OE1 2.76Å; R399-E456 IonicContact NH1-OE1 3.86Å; R399-E456 PolarHBondContact NH1-OE1 2.71Å; R399-E456 IonicContact NH1-OE2 2.76Å; R399-E456 PolarHBondContact NH1-OE2 3.14Å; R399-E456 IonicContact NH2-OE1 3.56Å; R399-E456 PolarHBondContact NH2-OE1 3.35Å; R399-E456 IonicContact NH2-OE2 2.64Å; R399-E456 PolarHBondContact NH2-OE2 3.3Å; E447-E456 CarbonylContact C-O 3.51Å; E447-E456 VanDerWaalsContact CA-O 3.3Å; E447-E456 WeakPolarHBondContact CA-O 3.23Å; R448-E456 PolarHBondContact N-O 3.16Å; R448-E456 PolarHBondContact O-N 3.11Å; R450-E456 IonicContact CZ-OE2 2.94Å; R450-E456 IonicContact NE-OE2 2.93Å; R450-E456 PolarHBondContact NE-OE2 2.78Å; R450-E456 IonicContact NH2-OE1 2.63Å; R450-E456 IonicContact NH2-OE2 3.37Å; R450-E456 PolarHBondContact NH2-OE2 2.83Å; E456-V464 HydrophobicContact CG-CG1 3.6Å; E456-V464 WeakPolarHBondContact OE1-CG1 3.4Å; E456-Q465 CarbonylContact C-O 3.5Å; E456-Q465 VanDerWaalsContact CA-O 3.29Å; E456-Q465 WeakPolarHBondContact CA-O 3.5Å
457	S	88.9	Confident	87.3	Confident	5 Å²	5	52.5 Å²	52.5	4%	0.035	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	128.8	178.1	-47.7	0	0	0	0	110	R444 F446 V464 Q465	R444-S457 VanDerWaalsContact CZ-OG 3.23Å; R444-S457 PolarHBondContact NE-OG 3.45Å; R444-S457 PolarHBondContact NH2-OG 2.88Å; F446-S457 WeakPolarHBondContact O-CA 3.49Å; S457-V464 CarbonylContact O-C 3.48Å; S457-V464 WeakPolarHBondContact O-CA 3.36Å; S457-Q465 PolarHBondContact N-O 3.47Å; S457-Q465 PolarHBondContact O-N 2.97Å
458	M	89	Confident	87.5	Confident	61 Å²	61	49 Å²	49	30%	0.3	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	133.3	167.1	-59	-178.4	69.6	0	0	108.9	T445 F446 V464	T445-M458 PolarHBondContact N-O 3.11Å; T445-M458 VanDerWaalsContact OG1-C 3.32Å; T445-M458 PolarHBondContact OG1-O 2.64Å; F446-M458 HydrophobicContact CB-CB 4.42Å; F446-M458 HydrophobicContact CD1-SD 4.17Å; F446-M458 PolarHBondContact N-O 3.05Å; F446-M458 PolarHBondContact O-N 2.91Å; M458-V464 HydrophobicContact CE-CG2 4.46Å; M458-V464 HydrophobicContact CG-CG2 4.25Å
459	Y	87.6	Confident	87.5	Confident	58 Å²	58	47.4 Å²	47.4	23%	0.227	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	155.6	177	-66.1	-83	0	0	0	110.6	P442 N461 G462 T463 Q465	P442-Y459 HydrophobicContact CG-CD1 4.42Å; Y459-N461 VanDerWaalsContact CB-OD1 3.31Å; Y459-N461 WeakPolarHBondContact CB-OD1 3.15Å; Y459-N461 PolarHBondContact O-N 2.75Å; Y459-N461 VanDerWaalsContact O-N 3.14Å; Y459-G462 PolarHBondContact O-N 2.75Å; Y459-T463 HydrophobicContact CD2-CG2 4.42Å; Y459-T463 WeakPolarHBondContact CD2-O 3.3Å; Y459-T463 PolarHBondContact N-O 2.66Å; Y459-Q465 HydrophobicContact CE2-CB 3.76Å; Y459-Q465 PolarHBondContact OH-OE1 2.92Å
460	A	84	Confident	87.4	Confident	63 Å²	63	48.3 Å²	48.3	52%	0.521	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.9	-178.2	0	0	0	0	0	113.9	P442 T445 G462	P442-A460 HydrophobicContact CB-CB 4.49Å; T445-A460 HydrophobicContact CG2-CB 3.8Å; A460-G462 PolarHBondContact O-N 3.4Å
461	N	84.4	Confident	87.3	Confident	89 Å²	89	47.5 Å²	47.5	48%	0.476	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	4	176.9	68.7	-4.5	0	0	0	113.9	Y459 T463 S479	Y459-N461 VanDerWaalsContact CB-OD1 3.31Å; Y459-N461 WeakPolarHBondContact CB-OD1 3.15Å; Y459-N461 PolarHBondContact O-N 2.75Å; Y459-N461 VanDerWaalsContact O-N 3.14Å; N461-T463 VanDerWaalsContact C-N 3.32Å; N461-T463 PolarHBondContact ND2-OG1 2.93Å; N461-T463 WeakPolarHBondContact OD1-CB 3.16Å; N461-T463 PolarHBondContact OD1-N 3.46Å; N461-T463 PolarHBondContact OD1-OG1 3.4Å; N461-S479 WeakPolarHBondContact O-CB 3.26Å; N461-S479 PolarHBondContact O-OG 3.21Å
462	G	85.4	Confident	87.3	Confident	48 Å²	48	47 Å²	47	50%	0.495	29%	0.289	S	S	.	.	S	Bend	trans	84.3	-1.9	-177.2	0	0	0	0	0	114.8	Y459 A460	Y459-G462 PolarHBondContact O-N 2.75Å; A460-G462 PolarHBondContact O-N 3.4Å
463	T	89.8	Confident	87.3	Confident	9 Å²	9	43 Å²	43	6%	0.055	27%	0.269	C	S	.	.			trans	-71.1	139.2	174.4	-56.9	0	0	0	0	109.9	Y459 N461 Y476 H477 Y478	Y459-T463 HydrophobicContact CD2-CG2 4.42Å; Y459-T463 WeakPolarHBondContact CD2-O 3.3Å; Y459-T463 PolarHBondContact N-O 2.66Å; N461-T463 VanDerWaalsContact C-N 3.32Å; N461-T463 PolarHBondContact ND2-OG1 2.93Å; N461-T463 WeakPolarHBondContact OD1-CB 3.16Å; N461-T463 PolarHBondContact OD1-N 3.46Å; N461-T463 PolarHBondContact OD1-OG1 3.4Å; T463-Y476 HydrophobicContact CG2-CD1 4.45Å; T463-H477 WeakPolarHBondContact CA-O 3.17Å; T463-H477 WeakPolarHBondContact CG2-O 3.2Å; T463-Y478 HydrophobicContact CG2-CD1 3.86Å; T463-Y478 HydrophobicContact CG2-CE1 4.3Å
464	V	91.5	Very high	87.5	Confident	19 Å²	19	42.4 Å²	42.4	12%	0.115	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.1	175.9	178.9	0	0	0	0	108.7	E456 S457 M458 Y476 H477	E456-V464 HydrophobicContact CG-CG1 3.6Å; E456-V464 WeakPolarHBondContact OE1-CG1 3.4Å; S457-V464 CarbonylContact O-C 3.48Å; S457-V464 WeakPolarHBondContact O-CA 3.36Å; M458-V464 HydrophobicContact CE-CG2 4.46Å; M458-V464 HydrophobicContact CG-CG2 4.25Å; V464-Y476 CarbonylContact O-C 3.5Å; V464-Y476 WeakPolarHBondContact O-CA 3.45Å; V464-H477 HydrophobicContact CB-CB 4.3Å; V464-H477 PolarHBondContact N-O 2.93Å; V464-H477 PolarHBondContact O-N 3.48Å
465	Q	92	Very high	87.6	Confident	25 Å²	25	43.6 Å²	43.6	12%	0.117	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129	172.3	174.9	-168	13.8	0	0	109.3	E456 S457 Y459 V467 V474 T475 Y476	E456-Q465 CarbonylContact C-O 3.5Å; E456-Q465 VanDerWaalsContact CA-O 3.29Å; E456-Q465 WeakPolarHBondContact CA-O 3.5Å; S457-Q465 PolarHBondContact N-O 3.47Å; S457-Q465 PolarHBondContact O-N 2.97Å; Y459-Q465 HydrophobicContact CE2-CB 3.76Å; Y459-Q465 PolarHBondContact OH-OE1 2.92Å; Q465-V467 HydrophobicContact CG-CG2 4.31Å; Q465-V474 HydrophobicContact CG-CG1 3.81Å; Q465-T475 CarbonylContact C-O 3.43Å; Q465-T475 WeakPolarHBondContact CA-O 3.34Å; Q465-Y476 HydrophobicContact CB-CD1 3.84Å; Q465-Y476 HydrophobicContact CB-CE1 3.79Å; Q465-Y476 HydrophobicContact CG-CD1 4.02Å; Q465-Y476 HydrophobicContact CG-CE1 3.63Å; Q465-Y476 PolarHBondContact NE2-OH 3.03Å
466	E	91	Very high	87.7	Confident	53 Å²	53	43.9 Å²	43.9	25%	0.248	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	135	174.6	177.2	169.8	167.1	0	0	109.6	R450 T455 V474 T475	R450-E466 IonicContact CZ-OE1 2.69Å; R450-E466 IonicContact CZ-OE2 2.75Å; R450-E466 IonicContact NH1-OE1 2.75Å; R450-E466 PolarHBondContact NH1-OE1 3.29Å; R450-E466 IonicContact NH1-OE2 3.21Å; R450-E466 PolarHBondContact NH1-OE2 3.43Å; R450-E466 IonicContact NH2-OE1 3.21Å; R450-E466 IonicContact NH2-OE2 3.77Å; R450-E466 PolarHBondContact NH2-OE2 2.99Å; T455-E466 CarbonylContact O-C 3.55Å; T455-E466 WeakPolarHBondContact O-CA 3.32Å; E466-V474 CarbonylContact O-C 3.53Å; E466-V474 WeakPolarHBondContact O-CA 3.38Å; E466-T475 PolarHBondContact N-O 3.44Å; E466-T475 PolarHBondContact O-N 3Å
467	V	89.8	Confident	87.8	Confident	26 Å²	26	46.1 Å²	46.1	16%	0.158	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.7	176.6	-176.6	0	0	0	0	107.5	S454 T455 Q465 V474	S454-V467 CarbonylContact C-O 3.53Å; S454-V467 VanDerWaalsContact CA-O 3.23Å; S454-V467 WeakPolarHBondContact CA-O 3.49Å; S454-V467 VanDerWaalsContact CB-O 3.28Å; S454-V467 WeakPolarHBondContact CB-O 3.13Å; T455-V467 PolarHBondContact N-O 3.3Å; T455-V467 PolarHBondContact O-N 2.99Å; T455-V467 WeakPolarHBondContact OG1-CB 3.25Å; Q465-V467 HydrophobicContact CG-CG2 4.31Å; V467-V474 HydrophobicContact CG1-CG2 4.38Å; V467-V474 HydrophobicContact CG2-CG1 4.32Å; V467-V474 HydrophobicContact CG2-CG2 4.28Å
468	S	87.9	Confident	87.8	Confident	23 Å²	23	49 Å²	49	16%	0.161	28%	0.283	C	S	.	.			trans	-60.7	158.8	178.6	52.5	0	0	0	0	111.8	D470 G471 Q472 T473	S468-D470 VanDerWaalsContact CB-OD1 3.23Å; S468-D470 WeakPolarHBondContact CB-OD1 3.39Å; S468-D470 PolarHBondContact O-N 3.42Å; S468-D470 VanDerWaalsContact O-N 3.11Å; S468-D470 PolarHBondContact OG-OD1 3.28Å; S468-G471 PolarHBondContact O-N 3.19Å; S468-Q472 PolarHBondContact OG-N 3.24Å; S468-T473 PolarHBondContact N-O 3.37Å; S468-T473 WeakPolarHBondContact OG-CA 3.4Å; S468-T473 WeakPolarHBondContact OG-CB 3.26Å; S468-T473 PolarHBondContact OG-N 3.29Å; S468-T473 PolarHBondContact OG-O 2.9Å; S468-T473 VanDerWaalsContact OG-O 3.13Å
469	P	85.6	Confident	87.8	Confident	82 Å²	82	50.1 Å²	50.1	53%	0.532	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.1	-176.8	-21.7	31.4	0	0	0	114.2	D452	D452-P469 WeakPolarHBondContact O-CB 3.5Å; D452-P469 WeakPolarHBondContact O-CG 3.33Å
470	D	85.9	Confident	87.8	Confident	94 Å²	94	51.5 Å²	51.5	50%	0.503	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.4	175.8	61.9	1.1	0	0	0	113.7	S468 Q472	S468-D470 VanDerWaalsContact CB-OD1 3.23Å; S468-D470 WeakPolarHBondContact CB-OD1 3.39Å; S468-D470 PolarHBondContact O-N 3.42Å; S468-D470 VanDerWaalsContact O-N 3.11Å; S468-D470 PolarHBondContact OG-OD1 3.28Å; D470-Q472 HydrophobicContact CB-CG 4.1Å; D470-Q472 PolarHBondContact O-N 3.06Å; D470-Q472 PolarHBondContact OD1-N 2.65Å
471	G	81.7	Confident	88	Confident	46 Å²	46	50.4 Å²	50.4	47%	0.474	30%	0.303	S	S	.	.	S	Bend	trans	73.5	2.1	-176.3	0	0	0	0	0	115.2	S468	S468-G471 PolarHBondContact O-N 3.19Å
472	Q	82.6	Confident	88.4	Confident	106 Å²	106	46.6 Å²	46.6	50%	0.495	28%	0.283	S	S	.	.			trans	-88.1	-35.6	-169.4	-60.8	-176.2	11.5	0	0	113.1	S468 D470 P488	S468-Q472 PolarHBondContact OG-N 3.24Å; D470-Q472 HydrophobicContact CB-CG 4.1Å; D470-Q472 PolarHBondContact O-N 3.06Å; D470-Q472 PolarHBondContact OD1-N 2.65Å; Q472-P488 HydrophobicContact CB-CB 3.81Å; Q472-P488 HydrophobicContact CB-CG 4.32Å; Q472-P488 WeakPolarHBondContact O-CA 3.42Å
473	T	84.2	Confident	88.6	Confident	18 Å²	18	44.8 Å²	44.8	11%	0.11	26%	0.263	C	S	.	.			trans	-103.2	123	178.5	-59.3	0	0	0	0	109.6	S468 R485	S468-T473 PolarHBondContact N-O 3.37Å; S468-T473 WeakPolarHBondContact OG-CA 3.4Å; S468-T473 WeakPolarHBondContact OG-CB 3.26Å; S468-T473 PolarHBondContact OG-N 3.29Å; S468-T473 PolarHBondContact OG-O 2.9Å; S468-T473 VanDerWaalsContact OG-O 3.13Å; T473-R485 HydrophobicContact CG2-CG 3.8Å
474	V	88	Confident	88.7	Confident	23 Å²	23	48.2 Å²	48.2	14%	0.139	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.5	174.3	-176.9	0	0	0	0	109	Q465 E466 V467 Y476 R485 L486	Q465-V474 HydrophobicContact CG-CG1 3.81Å; E466-V474 CarbonylContact O-C 3.53Å; E466-V474 WeakPolarHBondContact O-CA 3.38Å; V467-V474 HydrophobicContact CG1-CG2 4.38Å; V467-V474 HydrophobicContact CG2-CG1 4.32Å; V467-V474 HydrophobicContact CG2-CG2 4.28Å; V474-Y476 HydrophobicContact CB-CE2 4.5Å; V474-Y476 HydrophobicContact CG1-CD2 4.16Å; V474-Y476 HydrophobicContact CG1-CE2 3.49Å; V474-Y476 VanDerWaalsContact CG1-CE2 3.49Å; V474-R485 CarbonylContact O-C 3.56Å; V474-R485 WeakPolarHBondContact O-CA 3.39Å; V474-L486 HydrophobicContact CB-CB 4.28Å; V474-L486 HydrophobicContact CB-CD1 4.2Å; V474-L486 HydrophobicContact CB-CG 4.45Å; V474-L486 PolarHBondContact N-O 3.48Å; V474-L486 PolarHBondContact O-N 2.94Å
475	T	90.6	Very high	88.6	Confident	26 Å²	26	51 Å²	51	16%	0.16	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.4	178.6	-53.4	0	0	0	0	110.5	Q465 E466 R484 R485	Q465-T475 CarbonylContact C-O 3.43Å; Q465-T475 WeakPolarHBondContact CA-O 3.34Å; E466-T475 PolarHBondContact N-O 3.44Å; E466-T475 PolarHBondContact O-N 3Å; T475-R484 CarbonylContact C-O 3.52Å; T475-R484 WeakPolarHBondContact CA-O 3.3Å; T475-R485 HydrophobicContact CG2-CB 4.43Å
476	Y	90.5	Very high	88.3	Confident	45 Å²	45	52.1 Å²	52.1	18%	0.176	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.4	172.5	-64	-91.3	0	0	0	109.6	T463 V464 Q465 V474 S483 R484 L486	T463-Y476 HydrophobicContact CG2-CD1 4.45Å; V464-Y476 CarbonylContact O-C 3.5Å; V464-Y476 WeakPolarHBondContact O-CA 3.45Å; Q465-Y476 HydrophobicContact CB-CD1 3.84Å; Q465-Y476 HydrophobicContact CB-CE1 3.79Å; Q465-Y476 HydrophobicContact CG-CD1 4.02Å; Q465-Y476 HydrophobicContact CG-CE1 3.63Å; Q465-Y476 PolarHBondContact NE2-OH 3.03Å; V474-Y476 HydrophobicContact CB-CE2 4.5Å; V474-Y476 HydrophobicContact CG1-CD2 4.16Å; V474-Y476 HydrophobicContact CG1-CE2 3.49Å; V474-Y476 VanDerWaalsContact CG1-CE2 3.49Å; Y476-S483 CarbonylContact O-C 3.51Å; Y476-S483 WeakPolarHBondContact O-CA 3.41Å; Y476-S483 WeakPolarHBondContact O-CB 3.46Å; Y476-R484 PolarHBondContact N-O 3.34Å; Y476-R484 PolarHBondContact O-N 3.47Å; Y476-L486 HydrophobicContact CE2-CD1 4.14Å
477	H	92.6	Very high	87.6	Confident	50 Å²	50	52.2 Å²	52.2	23%	0.231	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	105.9	168.5	-57	-79.6	0	0	0	107.6	T463 V464	T463-H477 WeakPolarHBondContact CA-O 3.17Å; T463-H477 WeakPolarHBondContact CG2-O 3.2Å; V464-H477 HydrophobicContact CB-CB 4.3Å; V464-H477 PolarHBondContact N-O 2.93Å; V464-H477 PolarHBondContact O-N 3.48Å
478	Y	90.4	Very high	86.6	Confident	64 Å²	64	53.9 Å²	53.9	25%	0.251	30%	0.303	S	S	.	.			trans	-79.6	154.5	-177.6	-61.2	-76	0	0	0	110.8	T463 N480 G481 D482 R484 Y496	T463-Y478 HydrophobicContact CG2-CD1 3.86Å; T463-Y478 HydrophobicContact CG2-CE1 4.3Å; Y478-N480 WeakPolarHBondContact CB-OD1 3.34Å; Y478-N480 PolarHBondContact O-N 3.29Å; Y478-G481 PolarHBondContact O-N 3.4Å; Y478-D482 HydrophobicContact CD2-CB 3.96Å; Y478-D482 PolarHBondContact N-O 3.41Å; Y478-R484 HydrophobicContact CE2-CB 3.7Å; Y478-Y496 HydrophobicContact CD2-CE2 4.39Å; Y478-Y496 AromaticContact CE2-CE2 3.72Å; Y478-Y496 HydrophobicContact CE2-CE2 3.72Å
479	S	88.1	Confident	85.5	Confident	86 Å²	86	57.2 Å²	57.2	60%	0.601	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.7	-178.8	52.4	0	0	0	0	113.8	N461 G481	N461-S479 WeakPolarHBondContact O-CB 3.26Å; N461-S479 PolarHBondContact O-OG 3.21Å; S479-G481 PolarHBondContact O-N 2.93Å
480	N	87.4	Confident	84.1	Confident	86 Å²	86	57.1 Å²	57.1	46%	0.46	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-1.6	172.5	71.1	-7.1	0	0	0	113.3	Y478 D482	Y478-N480 WeakPolarHBondContact CB-OD1 3.34Å; Y478-N480 PolarHBondContact O-N 3.29Å; N480-D482 PolarHBondContact ND2-OD2 3.41Å; N480-D482 WeakPolarHBondContact OD1-CB 3.28Å; N480-D482 PolarHBondContact OD1-N 3.49Å
481	G	87.9	Confident	82.6	Confident	40 Å²	40	54.5 Å²	54.5	41%	0.412	32%	0.322	S	S	.	.	S	Bend	trans	90.9	-7.3	-178.2	0	0	0	0	0	114.7	Y478 S479 S499	Y478-G481 PolarHBondContact O-N 3.4Å; S479-G481 PolarHBondContact O-N 2.93Å; G481-S499 WeakPolarHBondContact O-CB 3.44Å; G481-S499 PolarHBondContact O-OG 3.43Å
482	D	92.8	Very high	81.6	Confident	9 Å²	9	58.3 Å²	58.3	5%	0.048	33%	0.328	C	S	.	.			trans	-68.3	157.9	174	-66.4	-10.1	0	0	0	110.9	Y478 N480 Y496 L497 F498 S499	Y478-D482 HydrophobicContact CD2-CB 3.96Å; Y478-D482 PolarHBondContact N-O 3.41Å; N480-D482 PolarHBondContact ND2-OD2 3.41Å; N480-D482 WeakPolarHBondContact OD1-CB 3.28Å; N480-D482 PolarHBondContact OD1-N 3.49Å; D482-Y496 HydrophobicContact CB-CE1 3.85Å; D482-Y496 WeakPolarHBondContact CB-OH 3Å; D482-Y496 PolarHBondContact OD2-OH 3.44Å; D482-L497 VanDerWaalsContact CA-O 3.26Å; D482-L497 WeakPolarHBondContact CA-O 3.41Å; D482-L497 VanDerWaalsContact CB-O 3.3Å; D482-L497 WeakPolarHBondContact CB-O 3.3Å; D482-F498 WeakPolarHBondContact OD1-CA 3.41Å; D482-S499 PolarHBondContact OD1-N 2.92Å
483	S	90.8	Very high	81.1	Confident	10 Å²	10	53.4 Å²	53.4	7%	0.07	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.9	171.7	61.8	0	0	0	0	112	Y476 Y496 L497	Y476-S483 CarbonylContact O-C 3.51Å; Y476-S483 WeakPolarHBondContact O-CA 3.41Å; Y476-S483 WeakPolarHBondContact O-CB 3.46Å; S483-Y496 CarbonylContact O-C 3.55Å; S483-Y496 WeakPolarHBondContact O-CA 3.46Å; S483-L497 PolarHBondContact N-O 2.8Å; S483-L497 VanDerWaalsContact N-O 3.09Å; S483-L497 PolarHBondContact O-N 3.32Å
484	R	91.6	Very high	81	Confident	81 Å²	81	53 Å²	53	31%	0.306	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.5	176.2	-178.7	-176.8	-176	-171.9	-2.8	109.7	T475 Y476 Y478 L486 V495 Y496	T475-R484 CarbonylContact C-O 3.52Å; T475-R484 WeakPolarHBondContact CA-O 3.3Å; Y476-R484 PolarHBondContact N-O 3.34Å; Y476-R484 PolarHBondContact O-N 3.47Å; Y478-R484 HydrophobicContact CE2-CB 3.7Å; R484-L486 HydrophobicContact CG-CD2 4.46Å; R484-V495 CarbonylContact C-O 3.54Å; R484-V495 WeakPolarHBondContact CA-O 3.43Å; R484-Y496 HydrophobicContact CB-CD2 3.7Å; R484-Y496 HydrophobicContact CB-CE2 4.16Å; R484-Y496 HydrophobicContact CB-CG 4.46Å; R484-Y496 HydrophobicContact CG-CD2 3.89Å
485	R	89.9	Confident	81.1	Confident	78 Å²	78	54 Å²	54	29%	0.294	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.3	174.1	-176.3	174.1	178.2	-177.7	1.3	109.4	A391 T473 V474 T475 S494 V495	A391-R485 PolarHBondContact O-NH1 3.32Å; T473-R485 HydrophobicContact CG2-CG 3.8Å; V474-R485 CarbonylContact O-C 3.56Å; V474-R485 WeakPolarHBondContact O-CA 3.39Å; T475-R485 HydrophobicContact CG2-CB 4.43Å; R485-S494 CarbonylContact O-C 3.51Å; R485-S494 VanDerWaalsContact O-CA 3.3Å; R485-S494 WeakPolarHBondContact O-CA 3.35Å; R485-V495 HydrophobicContact CB-CB 4.5Å; R485-V495 PolarHBondContact N-O 2.96Å; R485-V495 PolarHBondContact O-N 3.5Å
486	L	85.6	Confident	81.1	Confident	48 Å²	48	54.2 Å²	54.2	25%	0.251	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.9	169.2	-55.2	-179	0	0	0	107.8	V474 Y476 R484	V474-L486 HydrophobicContact CB-CB 4.28Å; V474-L486 HydrophobicContact CB-CD1 4.2Å; V474-L486 HydrophobicContact CB-CG 4.45Å; V474-L486 PolarHBondContact N-O 3.48Å; V474-L486 PolarHBondContact O-N 2.94Å; Y476-L486 HydrophobicContact CE2-CD1 4.14Å; R484-L486 HydrophobicContact CG-CD2 4.46Å
487	L	75.5	Confident	81.2	Confident	55 Å²	55	53.6 Å²	53.6	29%	0.288	31%	0.307	S	S	.	.			trans	-85.2	158.6	-177	-73.1	169.3	0	0	0	112	D489 A493 V495	L487-D489 PolarHBondContact O-N 3.21Å; L487-D489 VanDerWaalsContact O-N 3.15Å; L487-A493 HydrophobicContact CB-CB 4.15Å; L487-A493 HydrophobicContact CD1-CB 3.94Å; L487-A493 PolarHBondContact N-O 2.92Å; L487-A493 VanDerWaalsContact N-O 3.15Å; L487-V495 HydrophobicContact CD1-CG2 4.4Å
488	P	69.7	Low	81.1	Confident	61 Å²	61	53 Å²	53	40%	0.396	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.1	-173.2	-29.6	37.1	0	0	0	117.4	Q472 G490	Q472-P488 HydrophobicContact CB-CB 3.81Å; Q472-P488 HydrophobicContact CB-CG 4.32Å; Q472-P488 WeakPolarHBondContact O-CA 3.42Å; P488-G490 PolarHBondContact O-N 3.01Å; P488-G490 VanDerWaalsContact O-N 3.14Å
489	D	64.3	Low	81	Confident	93 Å²	93	53 Å²	53	50%	0.497	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	3.4	-165.7	61.5	16.7	0	0	0	114	L487 S491	L487-D489 PolarHBondContact O-N 3.21Å; L487-D489 VanDerWaalsContact O-N 3.15Å; D489-S491 PolarHBondContact O-N 3.12Å; D489-S491 WeakPolarHBondContact OD1-CB 3.34Å; D489-S491 PolarHBondContact OD1-N 2.89Å; D489-S491 VanDerWaalsContact OD1-N 3.14Å; D489-S491 PolarHBondContact OD1-OG 3.37Å; D489-S491 PolarHBondContact OD2-OG 3.1Å
490	G	56.1	Low	81	Confident	80 Å²	80	54 Å²	54	83%	0.825	32%	0.32	S	S	*	.	S	Bend	trans	62.3	4	178.9	0	0	0	0	0	113.7	P488	P488-G490 PolarHBondContact O-N 3.01Å; P488-G490 VanDerWaalsContact O-N 3.14Å
491	S	54	Low	81.1	Confident	40 Å²	40	56.9 Å²	56.9	28%	0.28	33%	0.328	S	S	.	.	S	Bend	trans	-89	164.4	175	78.7	0	0	0	0	108.2	D489 A493 P509	D489-S491 PolarHBondContact O-N 3.12Å; D489-S491 WeakPolarHBondContact OD1-CB 3.34Å; D489-S491 PolarHBondContact OD1-N 2.89Å; D489-S491 VanDerWaalsContact OD1-N 3.14Å; D489-S491 PolarHBondContact OD1-OG 3.37Å; D489-S491 PolarHBondContact OD2-OG 3.1Å; S491-A493 PolarHBondContact O-N 3.01Å; S491-P509 VanDerWaalsContact OG-CB 3.23Å; S491-P509 WeakPolarHBondContact OG-CB 3.45Å; S491-P509 VanDerWaalsContact OG-CG 3.25Å; S491-P509 WeakPolarHBondContact OG-CG 3.31Å
492	E	60.2	Low	81.1	Confident	126 Å²	126	56.4 Å²	56.4	59%	0.589	32%	0.323	S	S	*	.	S	Bend	trans	-60.5	7.1	-177.9	-60	-179.3	178.6	0	0	114.4	S494 R507	E492-S494 PolarHBondContact O-N 3.43Å; E492-S494 VanDerWaalsContact O-N 3.08Å; E492-S494 PolarHBondContact O-OG 3.41Å; E492-R507 HydrophobicContact CB-CG 4.5Å; E492-R507 WeakPolarHBondContact O-CD 3.19Å; E492-R507 WeakPolarHBondContact O-CG 3.29Å; E492-R507 IonicContact OE2-NH1 3.47Å
493	A	72.7	Confident	81	Confident	2 Å²	2	57 Å²	57	2%	0.017	33%	0.327	C	S	.	.			trans	-58.3	109.7	175.2	0	0	0	0	0	111.3	L487 S491 R507 P509	L487-A493 HydrophobicContact CB-CB 4.15Å; L487-A493 HydrophobicContact CD1-CB 3.94Å; L487-A493 PolarHBondContact N-O 2.92Å; L487-A493 VanDerWaalsContact N-O 3.15Å; S491-A493 PolarHBondContact O-N 3.01Å; A493-R507 WeakPolarHBondContact CA-O 3.36Å; A493-P509 HydrophobicContact CB-CG 3.93Å
494	S	82.8	Confident	81	Confident	10 Å²	10	58.5 Å²	58.5	7%	0.07	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.8	-178	54.1	0	0	0	0	110.8	R485 E492 I506 R507	R485-S494 CarbonylContact O-C 3.51Å; R485-S494 VanDerWaalsContact O-CA 3.3Å; R485-S494 WeakPolarHBondContact O-CA 3.35Å; E492-S494 PolarHBondContact O-N 3.43Å; E492-S494 VanDerWaalsContact O-N 3.08Å; E492-S494 PolarHBondContact O-OG 3.41Å; S494-I506 WeakPolarHBondContact O-CA 3.37Å; S494-R507 PolarHBondContact N-O 2.84Å; S494-R507 PolarHBondContact O-N 3.41Å
495	V	89.9	Confident	81.1	Confident	44 Å²	44	56.9 Å²	56.9	27%	0.267	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.2	176.7	-176.3	0	0	0	0	107.7	R484 R485 L487 V504 Q505 I506	R484-V495 CarbonylContact C-O 3.54Å; R484-V495 WeakPolarHBondContact CA-O 3.43Å; R485-V495 HydrophobicContact CB-CB 4.5Å; R485-V495 PolarHBondContact N-O 2.96Å; R485-V495 PolarHBondContact O-N 3.5Å; L487-V495 HydrophobicContact CD1-CG2 4.4Å; V495-V504 HydrophobicContact CG1-CG1 3.87Å; V495-Q505 CarbonylContact C-O 3.48Å; V495-Q505 WeakPolarHBondContact CA-O 3.26Å; V495-I506 HydrophobicContact CG1-CG1 4.37Å; V495-I506 HydrophobicContact CG2-CG1 4.4Å; V495-I506 HydrophobicContact CG2-CG2 4.48Å
496	Y	91.5	Very high	81.1	Confident	30 Å²	30	54.7 Å²	54.7	12%	0.118	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.8	176.5	-167.6	-70.5	0	0	0	109.6	Y478 D482 S483 R484 F498 V504 Q505	Y478-Y496 HydrophobicContact CD2-CE2 4.39Å; Y478-Y496 AromaticContact CE2-CE2 3.72Å; Y478-Y496 HydrophobicContact CE2-CE2 3.72Å; D482-Y496 HydrophobicContact CB-CE1 3.85Å; D482-Y496 WeakPolarHBondContact CB-OH 3Å; D482-Y496 PolarHBondContact OD2-OH 3.44Å; S483-Y496 CarbonylContact O-C 3.55Å; S483-Y496 WeakPolarHBondContact O-CA 3.46Å; R484-Y496 HydrophobicContact CB-CD2 3.7Å; R484-Y496 HydrophobicContact CB-CE2 4.16Å; R484-Y496 HydrophobicContact CB-CG 4.46Å; R484-Y496 HydrophobicContact CG-CD2 3.89Å; Y496-F498 AromaticContact CD1-CD1 3.88Å; Y496-F498 HydrophobicContact CD1-CD1 3.88Å; Y496-F498 AromaticContact CD1-CD2 3.73Å; Y496-F498 HydrophobicContact CD1-CD2 3.73Å; Y496-F498 AromaticContact CD1-CE1 3.7Å; Y496-F498 HydrophobicContact CD1-CE1 3.7Å; Y496-F498 AromaticContact CD1-CE2 3.55Å; Y496-F498 HydrophobicContact CD1-CE2 3.55Å; Y496-F498 AromaticContact CD1-CG 3.89Å; Y496-F498 HydrophobicContact CD1-CG 3.89Å; Y496-F498 AromaticContact CD1-CZ 3.53Å; Y496-F498 HydrophobicContact CD1-CZ 3.53Å; Y496-F498 AromaticContact CE1-CD1 3.33Å; Y496-F498 HydrophobicContact CE1-CD1 3.33Å; Y496-F498 HydrophobicContact CE1-CD2 4.06Å; Y496-F498 AromaticContact CE1-CE1 3.26Å; Y496-F498 HydrophobicContact CE1-CE1 3.26Å; Y496-F498 HydrophobicContact CE1-CE2 4.01Å; Y496-F498 AromaticContact CE1-CG 3.74Å; Y496-F498 HydrophobicContact CE1-CG 3.74Å; Y496-F498 AromaticContact CE1-CZ 3.63Å; Y496-F498 HydrophobicContact CE1-CZ 3.63Å; Y496-F498 HydrophobicContact CG-CE2 4.4Å; Y496-F498 HydrophobicContact CG-CZ 4.31Å; Y496-F498 AromaticContact CZ-CE1 3.94Å; Y496-V504 CarbonylContact O-C 3.56Å; Y496-V504 WeakPolarHBondContact O-CA 3.38Å; Y496-Q505 PolarHBondContact N-O 2.98Å; Y496-Q505 PolarHBondContact O-N 2.91Å
497	L	91.9	Very high	81.3	Confident	32 Å²	32	56.6 Å²	56.6	17%	0.168	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.4	173	175.5	70.9	0	0	0	109.5	F393 D482 S483 S499 V504	F393-L497 HydrophobicContact CE1-CD2 3.94Å; F393-L497 HydrophobicContact CE2-CD2 3.99Å; F393-L497 HydrophobicContact CZ-CD2 3.27Å; D482-L497 VanDerWaalsContact CA-O 3.26Å; D482-L497 WeakPolarHBondContact CA-O 3.41Å; D482-L497 VanDerWaalsContact CB-O 3.3Å; D482-L497 WeakPolarHBondContact CB-O 3.3Å; S483-L497 PolarHBondContact N-O 2.8Å; S483-L497 VanDerWaalsContact N-O 3.09Å; S483-L497 PolarHBondContact O-N 3.32Å; L497-S499 PolarHBondContact O-N 3.04Å; L497-V504 HydrophobicContact CD1-CG2 3.59Å
498	F	90.9	Very high	81.8	Confident	39 Å²	39	56.5 Å²	56.5	17%	0.171	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	100.3	167.4	-61	-83.4	0	0	0	109.3	D482 Y496 S500 K501 G502 L503 Q505	D482-F498 WeakPolarHBondContact OD1-CA 3.41Å; Y496-F498 AromaticContact CD1-CD1 3.88Å; Y496-F498 HydrophobicContact CD1-CD1 3.88Å; Y496-F498 AromaticContact CD1-CD2 3.73Å; Y496-F498 HydrophobicContact CD1-CD2 3.73Å; Y496-F498 AromaticContact CD1-CE1 3.7Å; Y496-F498 HydrophobicContact CD1-CE1 3.7Å; Y496-F498 AromaticContact CD1-CE2 3.55Å; Y496-F498 HydrophobicContact CD1-CE2 3.55Å; Y496-F498 AromaticContact CD1-CG 3.89Å; Y496-F498 HydrophobicContact CD1-CG 3.89Å; Y496-F498 AromaticContact CD1-CZ 3.53Å; Y496-F498 HydrophobicContact CD1-CZ 3.53Å; Y496-F498 AromaticContact CE1-CD1 3.33Å; Y496-F498 HydrophobicContact CE1-CD1 3.33Å; Y496-F498 HydrophobicContact CE1-CD2 4.06Å; Y496-F498 AromaticContact CE1-CE1 3.26Å; Y496-F498 HydrophobicContact CE1-CE1 3.26Å; Y496-F498 HydrophobicContact CE1-CE2 4.01Å; Y496-F498 AromaticContact CE1-CG 3.74Å; Y496-F498 HydrophobicContact CE1-CG 3.74Å; Y496-F498 AromaticContact CE1-CZ 3.63Å; Y496-F498 HydrophobicContact CE1-CZ 3.63Å; Y496-F498 HydrophobicContact CG-CE2 4.4Å; Y496-F498 HydrophobicContact CG-CZ 4.31Å; Y496-F498 AromaticContact CZ-CE1 3.94Å; F498-S500 PolarHBondContact O-N 3.33Å; F498-K501 HydrophobicContact CB-CB 4.28Å; F498-K501 PolarHBondContact O-N 2.99Å; F498-G502 PolarHBondContact O-N 3.24Å; F498-L503 HydrophobicContact CB-CB 4.19Å; F498-L503 HydrophobicContact CD2-CB 4.18Å; F498-L503 HydrophobicContact CD2-CD2 3.91Å; F498-L503 HydrophobicContact CD2-CG 4.21Å; F498-L503 HydrophobicContact CE2-CD2 4.34Å; F498-L503 PolarHBondContact N-O 2.64Å; F498-L503 PolarHBondContact O-N 3.07Å; F498-Q505 HydrophobicContact CE2-CB 4.02Å
499	S	88.2	Confident	82.4	Confident	63 Å²	63	57.4 Å²	57.4	44%	0.441	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-41.5	-171	-144.5	0	0	0	0	111.7	G481 D482 L497 K501 G502	G481-S499 WeakPolarHBondContact O-CB 3.44Å; G481-S499 PolarHBondContact O-OG 3.43Å; D482-S499 PolarHBondContact OD1-N 2.92Å; L497-S499 PolarHBondContact O-N 3.04Å; S499-K501 VanDerWaalsContact C-N 3.33Å; S499-K501 PolarHBondContact O-N 2.97Å; S499-G502 PolarHBondContact O-N 3.29Å
500	S	88.1	Confident	83.4	Confident	107 Å²	107	56.8 Å²	56.8	75%	0.748	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-32.2	179.4	58.3	0	0	0	0	114	F498	F498-S500 PolarHBondContact O-N 3.33Å
501	K	88	Confident	84.6	Confident	147 Å²	147	53.8 Å²	53.8	64%	0.639	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-13.3	-177.7	-65.1	178.6	-177.5	172.5	0	113.1	F498 S499 L503 S518	F498-K501 HydrophobicContact CB-CB 4.28Å; F498-K501 PolarHBondContact O-N 2.99Å; S499-K501 VanDerWaalsContact C-N 3.33Å; S499-K501 PolarHBondContact O-N 2.97Å; K501-L503 HydrophobicContact CB-CB 4.01Å; K501-L503 PolarHBondContact O-N 2.87Å; K501-S518 PolarHBondContact O-OG 3.22Å
502	G	88	Confident	86.2	Confident	30 Å²	30	53.8 Å²	53.8	31%	0.309	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	37.3	-168.2	0	0	0	0	0	112.1	F498 S499 S518	F498-G502 PolarHBondContact O-N 3.24Å; S499-G502 PolarHBondContact O-N 3.29Å; G502-S518 WeakPolarHBondContact O-CA 3.21Å; G502-S518 WeakPolarHBondContact O-CB 3.41Å; G502-S518 PolarHBondContact O-N 3.48Å; G502-S518 VanDerWaalsContact O-N 3.11Å
503	L	90.7	Very high	87.7	Confident	22 Å²	22	49.4 Å²	49.4	12%	0.115	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.8	-176.2	-178.7	75.1	0	0	0	109.3	F498 K501 L515 H517	F498-L503 HydrophobicContact CB-CB 4.19Å; F498-L503 HydrophobicContact CD2-CB 4.18Å; F498-L503 HydrophobicContact CD2-CD2 3.91Å; F498-L503 HydrophobicContact CD2-CG 4.21Å; F498-L503 HydrophobicContact CE2-CD2 4.34Å; F498-L503 PolarHBondContact N-O 2.64Å; F498-L503 PolarHBondContact O-N 3.07Å; K501-L503 HydrophobicContact CB-CB 4.01Å; K501-L503 PolarHBondContact O-N 2.87Å; L503-L515 HydrophobicContact CD1-CB 4.32Å; L503-L515 HydrophobicContact CD2-CD2 4.47Å; L503-H517 HydrophobicContact CD1-CB 4.3Å
504	V	92.6	Very high	88.7	Confident	40 Å²	40	52.3 Å²	52.3	24%	0.242	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.4	174.4	-178.5	0	0	0	0	109	V495 Y496 L497 I506 L515 K516	V495-V504 HydrophobicContact CG1-CG1 3.87Å; Y496-V504 CarbonylContact O-C 3.56Å; Y496-V504 WeakPolarHBondContact O-CA 3.38Å; L497-V504 HydrophobicContact CD1-CG2 3.59Å; V504-I506 HydrophobicContact CG1-CD1 4.49Å; V504-I506 HydrophobicContact CG1-CG1 4.05Å; V504-L515 CarbonylContact O-C 3.53Å; V504-L515 WeakPolarHBondContact O-CA 3.37Å; V504-K516 HydrophobicContact CB-CB 4.28Å; V504-K516 PolarHBondContact N-O 3.15Å; V504-K516 PolarHBondContact O-N 3.41Å
505	Q	92.6	Very high	89.2	Confident	48 Å²	48	52.9 Å²	52.9	22%	0.224	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.7	174.9	175.6	-179.1	-24.9	0	0	109.3	V495 Y496 F498 L513 K514 L515	V495-Q505 CarbonylContact C-O 3.48Å; V495-Q505 WeakPolarHBondContact CA-O 3.26Å; Y496-Q505 PolarHBondContact N-O 2.98Å; Y496-Q505 PolarHBondContact O-N 2.91Å; F498-Q505 HydrophobicContact CE2-CB 4.02Å; Q505-L513 HydrophobicContact CG-CD1 3.47Å; Q505-L513 VanDerWaalsContact CG-CD1 3.47Å; Q505-L513 HydrophobicContact CG-CG 4.49Å; Q505-K514 CarbonylContact C-O 3.49Å; Q505-L515 HydrophobicContact CB-CD2 3.63Å; Q505-L515 HydrophobicContact CG-CD2 3.68Å
506	I	90.7	Very high	89.3	Confident	31 Å²	31	54.4 Å²	54.4	16%	0.159	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.7	177.5	-55.1	169.7	0	0	0	106.3	S494 V495 V504 L513 K514 K516	S494-I506 WeakPolarHBondContact O-CA 3.37Å; V495-I506 HydrophobicContact CG1-CG1 4.37Å; V495-I506 HydrophobicContact CG2-CG1 4.4Å; V495-I506 HydrophobicContact CG2-CG2 4.48Å; V504-I506 HydrophobicContact CG1-CD1 4.49Å; V504-I506 HydrophobicContact CG1-CG1 4.05Å; I506-L513 CarbonylContact O-C 3.5Å; I506-L513 WeakPolarHBondContact O-CA 3.19Å; I506-K514 HydrophobicContact CB-CB 4.27Å; I506-K514 PolarHBondContact N-O 2.96Å; I506-K514 PolarHBondContact O-N 3.46Å; I506-K516 HydrophobicContact CD1-CD 4.47Å
507	R	90.2	Very high	89.3	Confident	88 Å²	88	55.6 Å²	55.6	33%	0.332	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.2	165.7	-179.2	174.5	-67.8	-115.2	-0.8	106.9	E492 A493 S494 L513	E492-R507 HydrophobicContact CB-CG 4.5Å; E492-R507 WeakPolarHBondContact O-CD 3.19Å; E492-R507 WeakPolarHBondContact O-CG 3.29Å; E492-R507 IonicContact OE2-NH1 3.47Å; A493-R507 WeakPolarHBondContact CA-O 3.36Å; S494-R507 PolarHBondContact N-O 2.84Å; S494-R507 PolarHBondContact O-N 3.41Å; R507-L513 HydrophobicContact CB-CD1 4.42Å
508	D	84.2	Confident	89.1	Confident	54 Å²	54	58.4 Å²	58.4	29%	0.289	33%	0.329	S	S	.	.			trans	-91.5	157.9	173.7	-70.6	-24.3	0	0	0	110.4	S510 G511 L512	D508-S510 PolarHBondContact O-N 3.26Å; D508-S510 VanDerWaalsContact O-N 3.09Å; D508-G511 PolarHBondContact O-N 3.01Å; D508-L512 HydrophobicContact CB-CB 4.11Å; D508-L512 PolarHBondContact N-O 3.39Å
509	P	83.7	Confident	88.9	Confident	79 Å²	79	61 Å²	61	51%	0.513	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-27.7	173.9	-21.2	27.8	0	0	0	113.6	S491 A493 G511	S491-P509 VanDerWaalsContact OG-CB 3.23Å; S491-P509 WeakPolarHBondContact OG-CB 3.45Å; S491-P509 VanDerWaalsContact OG-CG 3.25Å; S491-P509 WeakPolarHBondContact OG-CG 3.31Å; A493-P509 HydrophobicContact CB-CG 3.93Å; P509-G511 PolarHBondContact O-N 3.41Å
510	S	84.1	Confident	88.9	Confident	80 Å²	80	59.7 Å²	59.7	56%	0.559	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-2.8	178.7	62.3	0	0	0	0	113.6	D508 L512 L527	D508-S510 PolarHBondContact O-N 3.26Å; D508-S510 VanDerWaalsContact O-N 3.09Å; S510-L512 VanDerWaalsContact C-N 3.29Å; S510-L527 WeakPolarHBondContact O-CD1 3.42Å
511	G	82	Confident	89	Confident	17 Å²	17	56.6 Å²	56.6	18%	0.175	31%	0.314	C	S	.	.	S	Bend	trans	82.5	0.8	-174.8	0	0	0	0	0	114.4	D508 P509 L527	D508-G511 PolarHBondContact O-N 3.01Å; P509-G511 PolarHBondContact O-N 3.41Å; G511-L527 WeakPolarHBondContact O-CD2 3.49Å
512	L	88	Confident	89.2	Confident	40 Å²	40	50.6 Å²	50.6	21%	0.209	29%	0.289	C	S	.	.			trans	-65.3	136.9	171.7	-146.6	81.2	0	0	0	109.8	D508 S510 I524 H526	D508-L512 HydrophobicContact CB-CB 4.11Å; D508-L512 PolarHBondContact N-O 3.39Å; S510-L512 VanDerWaalsContact C-N 3.29Å; L512-I524 HydrophobicContact CD1-CG2 4.39Å; L512-I524 HydrophobicContact CD2-CG2 3.51Å; L512-I524 HydrophobicContact CG-CG2 3.82Å; L512-H526 HydrophobicContact CD1-CB 4.27Å
513	L	91.7	Very high	89.5	Confident	34 Å²	34	49.6 Å²	49.6	18%	0.178	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	113.7	-179.1	175.5	75.5	0	0	0	110.1	Q505 I506 R507 I524 H525	Q505-L513 HydrophobicContact CG-CD1 3.47Å; Q505-L513 VanDerWaalsContact CG-CD1 3.47Å; Q505-L513 HydrophobicContact CG-CG 4.49Å; I506-L513 CarbonylContact O-C 3.5Å; I506-L513 WeakPolarHBondContact O-CA 3.19Å; R507-L513 HydrophobicContact CB-CD1 4.42Å; L513-I524 CarbonylContact O-C 3.48Å; L513-I524 WeakPolarHBondContact O-CA 3.5Å; L513-H525 HydrophobicContact CB-CB 4.03Å; L513-H525 HydrophobicContact CD2-CB 4.41Å; L513-H525 PolarHBondContact N-O 3.06Å; L513-H525 PolarHBondContact O-N 2.85Å
514	K	92.9	Very high	89.6	Confident	64 Å²	64	49.5 Å²	49.5	28%	0.278	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.3	-178.6	-176.3	172.8	-168.1	169.8	0	111	Q505 I506 T522 E523 I524	Q505-K514 CarbonylContact C-O 3.49Å; I506-K514 HydrophobicContact CB-CB 4.27Å; I506-K514 PolarHBondContact N-O 2.96Å; I506-K514 PolarHBondContact O-N 3.46Å; K514-T522 HydrophobicContact CD-CG2 4.29Å; K514-T522 VanDerWaalsContact CE-CG2 3.47Å; K514-T522 HydrophobicContact CG-CG2 3.84Å; K514-E523 CarbonylContact C-O 3.5Å; K514-E523 WeakPolarHBondContact CA-O 3.17Å; K514-I524 HydrophobicContact CG-CG1 4.24Å
515	L	93	Very high	89.7	Confident	21 Å²	21	50.1 Å²	50.1	11%	0.11	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121.6	177.2	-60.5	171.7	0	0	0	109.3	L503 V504 Q505 T522 E523	L503-L515 HydrophobicContact CD1-CB 4.32Å; L503-L515 HydrophobicContact CD2-CD2 4.47Å; V504-L515 CarbonylContact O-C 3.53Å; V504-L515 WeakPolarHBondContact O-CA 3.37Å; Q505-L515 HydrophobicContact CB-CD2 3.63Å; Q505-L515 HydrophobicContact CG-CD2 3.68Å; L515-T522 CarbonylContact O-C 3.48Å; L515-T522 VanDerWaalsContact O-CA 3.29Å; L515-T522 WeakPolarHBondContact O-CA 3.23Å; L515-E523 HydrophobicContact CB-CB 4.11Å; L515-E523 HydrophobicContact CB-CG 4.4Å; L515-E523 PolarHBondContact N-O 3.22Å; L515-E523 PolarHBondContact O-N 2.89Å
516	K	92.7	Very high	89.6	Confident	77 Å²	77	50.5 Å²	50.5	34%	0.335	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.1	172.9	-62.9	-179.5	177.7	178.2	0	109.2	V504 I506 T522	V504-K516 HydrophobicContact CB-CB 4.28Å; V504-K516 PolarHBondContact N-O 3.15Å; V504-K516 PolarHBondContact O-N 3.41Å; I506-K516 HydrophobicContact CD1-CD 4.47Å; K516-T522 HydrophobicContact CG-CG2 4.25Å
517	H	90.6	Very high	89.6	Confident	55 Å²	55	55.6 Å²	55.6	26%	0.255	30%	0.304	S	S	.	.			trans	-84.5	161.3	179.5	-70.5	-105.3	0	0	0	111.5	L503 D519 G520 R521 E523	L503-H517 HydrophobicContact CD1-CB 4.3Å; H517-D519 WeakPolarHBondContact CB-OD1 3.3Å; H517-D519 PolarHBondContact O-N 3.38Å; H517-G520 PolarHBondContact O-N 2.97Å; H517-R521 HydrophobicContact CB-CB 4.28Å; H517-R521 PolarHBondContact N-O 3.34Å; H517-E523 VanDerWaalsContact NE2-CD 3.32Å; H517-E523 WeakPolarHBondContact NE2-CG 3.25Å; H517-E523 IonicContact NE2-OE1 2.71Å; H517-E523 IonicContact NE2-OE2 2.73Å
518	S	88.8	Confident	89.6	Confident	91 Å²	91	55.4 Å²	55.4	64%	0.636	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-20	179.4	45.8	0	0	0	0	114.1	K501 G502	K501-S518 PolarHBondContact O-OG 3.22Å; G502-S518 WeakPolarHBondContact O-CA 3.21Å; G502-S518 WeakPolarHBondContact O-CB 3.41Å; G502-S518 PolarHBondContact O-N 3.48Å; G502-S518 VanDerWaalsContact O-N 3.11Å
519	D	86.7	Confident	89.8	Confident	93 Å²	93	54.8 Å²	54.8	50%	0.497	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-1.3	172	63	-1.3	0	0	0	113.1	H517 R521	H517-D519 WeakPolarHBondContact CB-OD1 3.3Å; H517-D519 PolarHBondContact O-N 3.38Å; D519-R521 VanDerWaalsContact C-N 3.32Å; D519-R521 WeakPolarHBondContact OD1-CB 3.4Å; D519-R521 PolarHBondContact OD1-N 3.3Å
520	G	86.7	Confident	90.2	Very high	36 Å²	36	56 Å²	56	37%	0.371	31%	0.311	S	S	.	.	S	Bend	trans	87.7	-10.2	-176.6	0	0	0	0	0	114.2	H517 T522 P536	H517-G520 PolarHBondContact O-N 2.97Å; G520-T522 PolarHBondContact O-N 2.88Å; G520-P536 WeakPolarHBondContact O-CD 3.14Å; G520-P536 VanDerWaalsContact O-CG 3.25Å; G520-P536 WeakPolarHBondContact O-CG 3.38Å
521	R	91.3	Very high	90.7	Very high	42 Å²	42	53.8 Å²	53.8	16%	0.158	29%	0.292	C	S	.	.			trans	-59.6	139.5	174.5	179.5	-174.2	172.1	-178.1	-10.2	110.1	H517 D519 E523 E534 F535	H517-R521 HydrophobicContact CB-CB 4.28Å; H517-R521 PolarHBondContact N-O 3.34Å; D519-R521 VanDerWaalsContact C-N 3.32Å; D519-R521 WeakPolarHBondContact OD1-CB 3.4Å; D519-R521 PolarHBondContact OD1-N 3.3Å; R521-E523 IonicContact CZ-OE1 3.32Å; R521-E523 IonicContact NE-OE1 3.33Å; R521-E523 PolarHBondContact NE-OE1 3.46Å; R521-E523 IonicContact NH1-OE1 2.76Å; R521-E523 IonicContact NH2-OE1 3.02Å; R521-E523 PolarHBondContact NH2-OE1 3.33Å; R521-E534 WeakPolarHBondContact CA-O 3.01Å; R521-F535 VanDerWaalsContact CD-CE1 3.48Å; R521-F535 HydrophobicContact CG-CD1 3.99Å; R521-F535 HydrophobicContact CG-CE1 3.97Å
522	T	92.3	Very high	91.3	Very high	20 Å²	20	55.7 Å²	55.7	12%	0.123	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.5	175.1	-57.8	0	0	0	0	110.2	K514 L515 K516 G520 I524 L533 E534	K514-T522 HydrophobicContact CD-CG2 4.29Å; K514-T522 VanDerWaalsContact CE-CG2 3.47Å; K514-T522 HydrophobicContact CG-CG2 3.84Å; L515-T522 CarbonylContact O-C 3.48Å; L515-T522 VanDerWaalsContact O-CA 3.29Å; L515-T522 WeakPolarHBondContact O-CA 3.23Å; K516-T522 HydrophobicContact CG-CG2 4.25Å; G520-T522 PolarHBondContact O-N 2.88Å; T522-I524 HydrophobicContact CG2-CG1 4.29Å; T522-L533 CarbonylContact O-C 3.52Å; T522-L533 WeakPolarHBondContact O-CA 3.29Å; T522-E534 PolarHBondContact N-O 3.23Å; T522-E534 PolarHBondContact O-N 3.01Å
523	E	93.7	Very high	91.6	Very high	9 Å²	9	54 Å²	54	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.6	172.1	-36.7	-163.6	143.6	0	0	109	K514 L515 H517 R521 H525 E532 L533	K514-E523 CarbonylContact C-O 3.5Å; K514-E523 WeakPolarHBondContact CA-O 3.17Å; L515-E523 HydrophobicContact CB-CB 4.11Å; L515-E523 HydrophobicContact CB-CG 4.4Å; L515-E523 PolarHBondContact N-O 3.22Å; L515-E523 PolarHBondContact O-N 2.89Å; H517-E523 VanDerWaalsContact NE2-CD 3.32Å; H517-E523 WeakPolarHBondContact NE2-CG 3.25Å; H517-E523 IonicContact NE2-OE1 2.71Å; H517-E523 IonicContact NE2-OE2 2.73Å; R521-E523 IonicContact CZ-OE1 3.32Å; R521-E523 IonicContact NE-OE1 3.33Å; R521-E523 PolarHBondContact NE-OE1 3.46Å; R521-E523 IonicContact NH1-OE1 2.76Å; R521-E523 IonicContact NH2-OE1 3.02Å; R521-E523 PolarHBondContact NH2-OE1 3.33Å; E523-H525 IonicContact OE2-NE2 3.67Å; E523-E532 CarbonylContact C-O 3.5Å; E523-E532 VanDerWaalsContact CA-O 3.26Å; E523-E532 WeakPolarHBondContact CA-O 3.21Å; E523-L533 HydrophobicContact CB-CD2 3.59Å; E523-L533 VanDerWaalsContact CD-CD2 3.49Å; E523-L533 HydrophobicContact CG-CD2 3.35Å; E523-L533 WeakPolarHBondContact OE1-CD2 3.5Å
524	I	93.8	Very high	91.6	Very high	21 Å²	21	55.6 Å²	55.6	11%	0.108	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.2	178.7	-54.5	174.8	0	0	0	107.6	L512 L513 K514 T522 I531 E532	L512-I524 HydrophobicContact CD1-CG2 4.39Å; L512-I524 HydrophobicContact CD2-CG2 3.51Å; L512-I524 HydrophobicContact CG-CG2 3.82Å; L513-I524 CarbonylContact O-C 3.48Å; L513-I524 WeakPolarHBondContact O-CA 3.5Å; K514-I524 HydrophobicContact CG-CG1 4.24Å; T522-I524 HydrophobicContact CG2-CG1 4.29Å; I524-I531 CarbonylContact O-C 3.49Å; I524-I531 WeakPolarHBondContact O-CA 3.22Å; I524-E532 HydrophobicContact CB-CB 4.28Å; I524-E532 PolarHBondContact N-O 3.32Å; I524-E532 PolarHBondContact O-N 3.03Å
525	H	93.2	Very high	91.5	Very high	53 Å²	53	55.2 Å²	55.2	25%	0.245	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.9	179.2	-71	-141.1	0	0	0	108.5	L513 E523	L513-H525 HydrophobicContact CB-CB 4.03Å; L513-H525 HydrophobicContact CD2-CB 4.41Å; L513-H525 PolarHBondContact N-O 3.06Å; L513-H525 PolarHBondContact O-N 2.85Å; E523-H525 IonicContact OE2-NE2 3.67Å
526	H	92.1	Very high	91.2	Very high	55 Å²	55	58.2 Å²	58.2	26%	0.255	31%	0.314	S	S	.	.			trans	-89.1	154.4	178.1	-66.3	-107.5	0	0	0	110.8	L512 D528 G529 R530 E532	L512-H526 HydrophobicContact CD1-CB 4.27Å; H526-D528 WeakPolarHBondContact CB-OD1 3.38Å; H526-D528 PolarHBondContact O-N 3.29Å; H526-G529 PolarHBondContact O-N 3.14Å; H526-R530 HydrophobicContact CB-CB 4.22Å; H526-R530 PolarHBondContact N-O 3.08Å; H526-E532 IonicContact NE2-OE1 3.58Å; H526-E532 IonicContact NE2-OE2 3.72Å
527	L	90.5	Very high	90.7	Very high	138 Å²	138	62.5 Å²	62.5	72%	0.723	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.4	177.7	-70.7	179.6	0	0	0	113.5	S510 G511 G529	S510-L527 WeakPolarHBondContact O-CD1 3.42Å; G511-L527 WeakPolarHBondContact O-CD2 3.49Å; L527-G529 PolarHBondContact O-N 3.03Å
528	D	89.9	Confident	90.3	Very high	84 Å²	84	65.4 Å²	65.4	45%	0.449	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	0.4	175.6	72.5	-15.8	0	0	0	113.3	H526 R530	H526-D528 WeakPolarHBondContact CB-OD1 3.38Å; H526-D528 PolarHBondContact O-N 3.29Å; D528-R530 WeakPolarHBondContact OD1-CB 3.37Å; D528-R530 WeakPolarHBondContact OD1-CG 3.43Å; D528-R530 PolarHBondContact OD1-N 3.48Å; D528-R530 WeakPolarHBondContact OD2-CD 3.47Å; D528-R530 WeakPolarHBondContact OD2-CG 3.35Å; D528-R530 IonicContact OD2-CZ 3.61Å; D528-R530 IonicContact OD2-NE 2.86Å; D528-R530 PolarHBondContact OD2-NE 2.84Å
529	G	88.3	Confident	90.1	Very high	41 Å²	41	63.3 Å²	63.3	42%	0.423	35%	0.345	S	S	.	.	S	Bend	trans	87.1	1.4	-179.1	0	0	0	0	0	114.5	H526 L527	H526-G529 PolarHBondContact O-N 3.14Å; L527-G529 PolarHBondContact O-N 3.03Å
530	R	92.8	Very high	90.3	Very high	105 Å²	105	59.3 Å²	59.3	40%	0.396	32%	0.324	S	S	.	.			trans	-70.9	142.8	171.3	-65.1	177.9	-165.6	-147.5	-6.7	110.6	H526 D528 I544 F545	H526-R530 HydrophobicContact CB-CB 4.22Å; H526-R530 PolarHBondContact N-O 3.08Å; D528-R530 WeakPolarHBondContact OD1-CB 3.37Å; D528-R530 WeakPolarHBondContact OD1-CG 3.43Å; D528-R530 PolarHBondContact OD1-N 3.48Å; D528-R530 WeakPolarHBondContact OD2-CD 3.47Å; D528-R530 WeakPolarHBondContact OD2-CG 3.35Å; D528-R530 IonicContact OD2-CZ 3.61Å; D528-R530 IonicContact OD2-NE 2.86Å; D528-R530 PolarHBondContact OD2-NE 2.84Å; R530-I544 WeakPolarHBondContact CA-O 3.5Å; R530-F545 HydrophobicContact CG-CD1 4.16Å
531	I	94.7	Very high	90.5	Very high	33 Å²	33	57.7 Å²	57.7	17%	0.169	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118	175.5	-56.3	172.5	0	0	0	108.4	I524 L533 T543 I544	I524-I531 CarbonylContact O-C 3.49Å; I524-I531 WeakPolarHBondContact O-CA 3.22Å; I531-L533 HydrophobicContact CG2-CD2 4.21Å; I531-L533 HydrophobicContact CG2-CG 4.33Å; I531-T543 CarbonylContact O-C 3.56Å; I531-T543 WeakPolarHBondContact O-CA 3.4Å; I531-I544 HydrophobicContact CB-CB 4.31Å; I531-I544 PolarHBondContact N-O 3.47Å; I531-I544 PolarHBondContact O-N 3.49Å
532	E	94	Very high	90.6	Very high	58 Å²	58	57.5 Å²	57.5	27%	0.271	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.5	172.7	-58.6	-173	172.2	0	0	110.1	E523 I524 H526 M542 T543	E523-E532 CarbonylContact C-O 3.5Å; E523-E532 VanDerWaalsContact CA-O 3.26Å; E523-E532 WeakPolarHBondContact CA-O 3.21Å; I524-E532 HydrophobicContact CB-CB 4.28Å; I524-E532 PolarHBondContact N-O 3.32Å; I524-E532 PolarHBondContact O-N 3.03Å; H526-E532 IonicContact NE2-OE1 3.58Å; H526-E532 IonicContact NE2-OE2 3.72Å; E532-M542 CarbonylContact C-O 3.57Å; E532-T543 HydrophobicContact CG-CG2 4.18Å
533	L	93.2	Very high	90.7	Very high	3 Å²	3	58 Å²	58	2%	0.016	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	124.9	-176.3	-63.1	167.6	0	0	0	107.9	T522 E523 I531 F535 G541 M542 I544	T522-L533 CarbonylContact O-C 3.52Å; T522-L533 WeakPolarHBondContact O-CA 3.29Å; E523-L533 HydrophobicContact CB-CD2 3.59Å; E523-L533 VanDerWaalsContact CD-CD2 3.49Å; E523-L533 HydrophobicContact CG-CD2 3.35Å; E523-L533 WeakPolarHBondContact OE1-CD2 3.5Å; I531-L533 HydrophobicContact CG2-CD2 4.21Å; I531-L533 HydrophobicContact CG2-CG 4.33Å; L533-F535 HydrophobicContact CB-CE2 3.97Å; L533-F535 HydrophobicContact CB-CZ 4.26Å; L533-G541 CarbonylContact O-C 3.47Å; L533-G541 WeakPolarHBondContact O-CA 3.35Å; L533-M542 WeakPolarHBondContact CA-O 3.26Å; L533-M542 HydrophobicContact CB-CB 4.21Å; L533-M542 WeakPolarHBondContact CB-O 3.45Å; L533-M542 HydrophobicContact CD1-CB 4.34Å; L533-M542 HydrophobicContact CD1-CE 3.32Å; L533-M542 PolarHBondContact N-O 3.41Å; L533-M542 PolarHBondContact O-N 2.91Å; L533-I544 HydrophobicContact CD1-CD1 3.96Å; L533-I544 HydrophobicContact CD1-CG1 4.41Å
534	E	92.5	Very high	90.8	Very high	69 Å²	69	58.8 Å²	58.8	32%	0.322	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	124.6	178.4	-59.4	-164.2	133.9	0	0	109.7	R521 T522 P536 R553	R521-E534 WeakPolarHBondContact CA-O 3.01Å; T522-E534 PolarHBondContact N-O 3.23Å; T522-E534 PolarHBondContact O-N 3.01Å; E534-P536 WeakPolarHBondContact O-CD 3.03Å; E534-R553 IonicContact OE1-CZ 3.39Å; E534-R553 IonicContact OE1-NH2 3.76Å; E534-R553 PolarHBondContact OE1-NH2 2.99Å
535	F	90.5	Very high	90.8	Very high	55 Å²	55	59.7 Å²	59.7	24%	0.241	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	98.9	-179.3	-60	-84.9	0	0	0	109	R521 L533 E537 D538 G539 S540 M542	R521-F535 VanDerWaalsContact CD-CE1 3.48Å; R521-F535 HydrophobicContact CG-CD1 3.99Å; R521-F535 HydrophobicContact CG-CE1 3.97Å; L533-F535 HydrophobicContact CB-CE2 3.97Å; L533-F535 HydrophobicContact CB-CZ 4.26Å; F535-E537 VanDerWaalsContact C-N 3.31Å; F535-E537 PolarHBondContact O-N 3.05Å; F535-D538 PolarHBondContact O-N 3.13Å; F535-G539 PolarHBondContact O-N 3.44Å; F535-S540 PolarHBondContact N-O 3.35Å; F535-S540 PolarHBondContact O-N 3.46Å; F535-M542 HydrophobicContact CE2-CB 4.33Å
536	P	86.2	Confident	90.7	Very high	85 Å²	85	61.3 Å²	61.3	55%	0.552	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-30.7	-175.7	25.2	-34	0	0	0	113.3	G520 E534 D538	G520-P536 WeakPolarHBondContact O-CD 3.14Å; G520-P536 VanDerWaalsContact O-CG 3.25Å; G520-P536 WeakPolarHBondContact O-CG 3.38Å; E534-P536 WeakPolarHBondContact O-CD 3.03Å; P536-D538 PolarHBondContact O-N 2.95Å
537	E	83.4	Confident	90.6	Very high	166 Å²	166	62.3 Å²	62.3	78%	0.776	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-42.6	179.5	-66.8	-166.2	154.1	0	0	112.8	F535	F535-E537 VanDerWaalsContact C-N 3.31Å; F535-E537 PolarHBondContact O-N 3.05Å
538	D	81.5	Confident	90.5	Very high	116 Å²	116	57.5 Å²	57.5	62%	0.62	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-6.7	-176.2	-72.7	-18.4	0	0	0	113.1	F535 P536 S540 A555	F535-D538 PolarHBondContact O-N 3.13Å; P536-D538 PolarHBondContact O-N 2.95Å; D538-S540 PolarHBondContact O-N 2.89Å; D538-S540 VanDerWaalsContact O-N 3.16Å; D538-A555 VanDerWaalsContact O-CB 3.28Å; D538-A555 WeakPolarHBondContact O-CB 3.39Å
539	G	84.8	Confident	90.7	Very high	48 Å²	48	58.2 Å²	58.2	50%	0.495	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	17.2	-169.9	0	0	0	0	0	113.8	F535	F535-G539 PolarHBondContact O-N 3.44Å
540	S	90.2	Very high	91	Very high	8 Å²	8	59.3 Å²	59.3	6%	0.056	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	155.4	-178.1	74.1	0	0	0	0	111.5	F535 D538 R553	F535-S540 PolarHBondContact N-O 3.35Å; F535-S540 PolarHBondContact O-N 3.46Å; D538-S540 PolarHBondContact O-N 2.89Å; D538-S540 VanDerWaalsContact O-N 3.16Å; S540-R553 CarbonylContact C-O 3.46Å; S540-R553 VanDerWaalsContact CA-O 3.26Å; S540-R553 WeakPolarHBondContact CA-O 3.29Å; S540-R553 VanDerWaalsContact CB-O 3.3Å; S540-R553 WeakPolarHBondContact CB-O 3.37Å
541	G	91.7	Very high	91	Very high	2 Å²	2	56.1 Å²	56.1	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.7	174.4	0	0	0	0	0	111.5	L533 K552 R553	L533-G541 CarbonylContact O-C 3.47Å; L533-G541 WeakPolarHBondContact O-CA 3.35Å; G541-K552 CarbonylContact O-C 3.51Å; G541-K552 WeakPolarHBondContact O-CA 3.3Å; G541-R553 PolarHBondContact N-O 3.26Å; G541-R553 PolarHBondContact O-N 2.92Å
542	M	93.5	Very high	91	Very high	39 Å²	39	58 Å²	58	19%	0.192	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	131	175.3	-175.4	171.3	81.5	0	0	110.7	E532 L533 F535 I544 S551 K552	E532-M542 CarbonylContact C-O 3.57Å; L533-M542 WeakPolarHBondContact CA-O 3.26Å; L533-M542 HydrophobicContact CB-CB 4.21Å; L533-M542 WeakPolarHBondContact CB-O 3.45Å; L533-M542 HydrophobicContact CD1-CB 4.34Å; L533-M542 HydrophobicContact CD1-CE 3.32Å; L533-M542 PolarHBondContact N-O 3.41Å; L533-M542 PolarHBondContact O-N 2.91Å; F535-M542 HydrophobicContact CE2-CB 4.33Å; M542-I544 HydrophobicContact CE-CD1 3.98Å; M542-I544 HydrophobicContact CE-CG1 4.03Å; M542-S551 CarbonylContact C-O 3.53Å; M542-S551 VanDerWaalsContact CA-O 3.23Å; M542-S551 WeakPolarHBondContact CA-O 3.35Å; M542-K552 HydrophobicContact CG-CB 4.47Å
543	T	94.9	Very high	91	Very high	29 Å²	29	61.6 Å²	61.6	18%	0.178	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.3	173.7	-54	0	0	0	0	108.8	I531 E532 F545 Q550 S551	I531-T543 CarbonylContact O-C 3.56Å; I531-T543 WeakPolarHBondContact O-CA 3.4Å; E532-T543 HydrophobicContact CG-CG2 4.18Å; T543-F545 HydrophobicContact CG2-CD1 4.46Å; T543-F545 HydrophobicContact CG2-CE1 4.04Å; T543-F545 HydrophobicContact CG2-CE2 4.16Å; T543-F545 HydrophobicContact CG2-CZ 3.88Å; T543-Q550 CarbonylContact O-C 3.48Å; T543-Q550 WeakPolarHBondContact O-CA 3.28Å; T543-S551 PolarHBondContact N-O 2.89Å; T543-S551 PolarHBondContact O-N 3.49Å
544	I	94.2	Very high	91	Very high	26 Å²	26	64.8 Å²	64.8	13%	0.133	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.5	172.1	-53.4	173	0	0	0	107	R530 I531 L533 M542 Q550	R530-I544 WeakPolarHBondContact CA-O 3.5Å; I531-I544 HydrophobicContact CB-CB 4.31Å; I531-I544 PolarHBondContact N-O 3.47Å; I531-I544 PolarHBondContact O-N 3.49Å; L533-I544 HydrophobicContact CD1-CD1 3.96Å; L533-I544 HydrophobicContact CD1-CG1 4.41Å; M542-I544 HydrophobicContact CE-CD1 3.98Å; M542-I544 HydrophobicContact CE-CG1 4.03Å; I544-Q550 HydrophobicContact CG1-CG 4.34Å; I544-Q550 HydrophobicContact CG2-CG 4.42Å
545	F	93.9	Very high	90.8	Very high	41 Å²	41	65.1 Å²	65.1	18%	0.18	36%	0.357	C	S	.	.			trans	-89.2	153.8	178.6	-63.7	-83.4	0	0	0	110.5	R530 T543 D547 G548 R549	R530-F545 HydrophobicContact CG-CD1 4.16Å; T543-F545 HydrophobicContact CG2-CD1 4.46Å; T543-F545 HydrophobicContact CG2-CE1 4.04Å; T543-F545 HydrophobicContact CG2-CE2 4.16Å; T543-F545 HydrophobicContact CG2-CZ 3.88Å; F545-D547 WeakPolarHBondContact CB-OD1 3.33Å; F545-D547 PolarHBondContact O-N 2.88Å; F545-D547 VanDerWaalsContact O-N 3.16Å; F545-G548 PolarHBondContact O-N 3.48Å; F545-R549 HydrophobicContact CB-CB 4.32Å; F545-R549 HydrophobicContact CD2-CB 3.98Å; F545-R549 WeakPolarHBondContact CD2-O 3.42Å; F545-R549 PolarHBondContact N-O 2.85Å
546	P	91.2	Very high	90.8	Very high	87 Å²	87	66.7 Å²	66.7	57%	0.565	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.1	-179.9	24.7	-35.8	0	0	0	113.6	G548	P546-G548 PolarHBondContact O-N 3.02Å
547	D	91.2	Very high	90.8	Very high	75 Å²	75	65.3 Å²	65.3	40%	0.401	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-3.9	173.9	61.5	13.3	0	0	0	113.7	F545 R549 V564	F545-D547 WeakPolarHBondContact CB-OD1 3.33Å; F545-D547 PolarHBondContact O-N 2.88Å; F545-D547 VanDerWaalsContact O-N 3.16Å; D547-R549 VanDerWaalsContact OD1-CB 3.28Å; D547-R549 WeakPolarHBondContact OD1-CB 3.34Å; D547-R549 WeakPolarHBondContact OD1-CG 3.4Å; D547-R549 PolarHBondContact OD1-N 3.42Å; D547-R549 IonicContact OD1-NE 3.22Å; D547-R549 IonicContact OD2-CZ 3.04Å; D547-R549 IonicContact OD2-NE 3.77Å; D547-R549 PolarHBondContact OD2-NE 3.09Å; D547-R549 IonicContact OD2-NH2 3.99Å; D547-R549 PolarHBondContact OD2-NH2 3.29Å; D547-V564 WeakPolarHBondContact O-CG2 3.49Å
548	G	88.5	Confident	91.3	Very high	38 Å²	38	57.8 Å²	57.8	39%	0.392	33%	0.334	S	S	.	.	S	Bend	trans	91.2	-4.3	-179	0	0	0	0	0	114.6	F545 P546	F545-G548 PolarHBondContact O-N 3.48Å; P546-G548 PolarHBondContact O-N 3.02Å
549	R	92.7	Very high	91.9	Very high	98 Å²	98	54.5 Å²	54.5	37%	0.37	32%	0.321	S	S	.	.			trans	-65.7	150.8	171.3	-67	-171.9	-74.3	171.1	-10.2	110.6	F545 D547 E561 R562 V564	F545-R549 HydrophobicContact CB-CB 4.32Å; F545-R549 HydrophobicContact CD2-CB 3.98Å; F545-R549 WeakPolarHBondContact CD2-O 3.42Å; F545-R549 PolarHBondContact N-O 2.85Å; D547-R549 VanDerWaalsContact OD1-CB 3.28Å; D547-R549 WeakPolarHBondContact OD1-CB 3.34Å; D547-R549 WeakPolarHBondContact OD1-CG 3.4Å; D547-R549 PolarHBondContact OD1-N 3.42Å; D547-R549 IonicContact OD1-NE 3.22Å; D547-R549 IonicContact OD2-CZ 3.04Å; D547-R549 IonicContact OD2-NE 3.77Å; D547-R549 PolarHBondContact OD2-NE 3.09Å; D547-R549 IonicContact OD2-NH2 3.99Å; D547-R549 PolarHBondContact OD2-NH2 3.29Å; R549-E561 IonicContact NH1-OE1 2.99Å; R549-R562 WeakPolarHBondContact CA-O 3.18Å; R549-V564 HydrophobicContact CG-CG2 4.22Å
550	Q	94.9	Very high	92.4	Very high	65 Å²	65	52.8 Å²	52.8	30%	0.304	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.9	178.2	-57.9	179.4	-6.5	0	0	109.5	T543 I544 E561 R562	T543-Q550 CarbonylContact O-C 3.48Å; T543-Q550 WeakPolarHBondContact O-CA 3.28Å; I544-Q550 HydrophobicContact CG1-CG 4.34Å; I544-Q550 HydrophobicContact CG2-CG 4.42Å; Q550-E561 CarbonylContact O-C 3.4Å; Q550-E561 WeakPolarHBondContact O-CA 3.26Å; Q550-R562 HydrophobicContact CB-CB 4.36Å; Q550-R562 PolarHBondContact N-O 3.23Å; Q550-R562 PolarHBondContact O-N 3.44Å
551	S	94.5	Very high	92.6	Very high	37 Å²	37	55.6 Å²	55.6	26%	0.259	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.8	173.2	179.2	0	0	0	0	109.3	M542 T543 A560	M542-S551 CarbonylContact C-O 3.53Å; M542-S551 VanDerWaalsContact CA-O 3.23Å; M542-S551 WeakPolarHBondContact CA-O 3.35Å; T543-S551 PolarHBondContact N-O 2.89Å; T543-S551 PolarHBondContact O-N 3.49Å; S551-A560 CarbonylContact C-O 3.56Å; S551-A560 WeakPolarHBondContact CA-O 3.23Å
552	K	94.1	Very high	92.8	Very high	73 Å²	73	61.1 Å²	61.1	32%	0.317	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.7	179.4	-174.1	171.3	-179.4	175.5	0	109.9	G541 M542 F554 S559 A560	G541-K552 CarbonylContact O-C 3.51Å; G541-K552 WeakPolarHBondContact O-CA 3.3Å; M542-K552 HydrophobicContact CG-CB 4.47Å; K552-F554 HydrophobicContact CD-CE1 3.8Å; K552-F554 HydrophobicContact CD-CE2 4.26Å; K552-F554 HydrophobicContact CD-CZ 3.63Å; K552-F554 VanDerWaalsContact CE-CE1 3.4Å; K552-F554 HydrophobicContact CG-CE1 4.32Å; K552-F554 HydrophobicContact CG-CE2 4.18Å; K552-F554 HydrophobicContact CG-CZ 4.04Å; K552-S559 CarbonylContact O-C 3.54Å; K552-S559 VanDerWaalsContact O-CA 3.3Å; K552-S559 WeakPolarHBondContact O-CA 3.41Å; K552-A560 PolarHBondContact N-O 3.2Å; K552-A560 PolarHBondContact O-N 2.95Å
553	R	93.7	Very high	92.8	Very high	134 Å²	134	60.9 Å²	60.9	51%	0.506	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.8	171.5	69.8	-172.8	-156.4	-144.6	0.1	109.5	E534 S540 G541	E534-R553 IonicContact OE1-CZ 3.39Å; E534-R553 IonicContact OE1-NH2 3.76Å; E534-R553 PolarHBondContact OE1-NH2 2.99Å; S540-R553 CarbonylContact C-O 3.46Å; S540-R553 VanDerWaalsContact CA-O 3.26Å; S540-R553 WeakPolarHBondContact CA-O 3.29Å; S540-R553 VanDerWaalsContact CB-O 3.3Å; S540-R553 WeakPolarHBondContact CB-O 3.37Å; G541-R553 PolarHBondContact N-O 3.26Å; G541-R553 PolarHBondContact O-N 2.92Å
554	F	92.4	Very high	92.6	Very high	69 Å²	69	64.2 Å²	64.2	30%	0.303	36%	0.356	S	S	.	.			trans	-97.8	155.4	177.4	-62.9	-86.9	0	0	0	110.5	K552 D556 G557 T558 A560 F570	K552-F554 HydrophobicContact CD-CE1 3.8Å; K552-F554 HydrophobicContact CD-CE2 4.26Å; K552-F554 HydrophobicContact CD-CZ 3.63Å; K552-F554 VanDerWaalsContact CE-CE1 3.4Å; K552-F554 HydrophobicContact CG-CE1 4.32Å; K552-F554 HydrophobicContact CG-CE2 4.18Å; K552-F554 HydrophobicContact CG-CZ 4.04Å; F554-D556 WeakPolarHBondContact CB-OD1 3.25Å; F554-D556 PolarHBondContact O-N 2.66Å; F554-G557 PolarHBondContact O-N 3.01Å; F554-G557 VanDerWaalsContact O-N 3.12Å; F554-T558 WeakPolarHBondContact CB-O 3.35Å; F554-T558 HydrophobicContact CD2-CG2 4.21Å; F554-T558 WeakPolarHBondContact CD2-O 3.47Å; F554-T558 PolarHBondContact N-O 2.95Å; F554-A560 HydrophobicContact CE2-CB 3.84Å; F554-F570 HydrophobicContact CE2-CE1 4.36Å
555	A	89.1	Confident	92.4	Very high	77 Å²	77	70.1 Å²	70.1	64%	0.636	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.7	-179.1	0	0	0	0	0	114.1	D538 G557	D538-A555 VanDerWaalsContact O-CB 3.28Å; D538-A555 WeakPolarHBondContact O-CB 3.39Å; A555-G557 PolarHBondContact O-N 3.21Å
556	D	89.4	Confident	92.2	Very high	88 Å²	88	70.3 Å²	70.3	47%	0.471	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.5	176.7	71	-18.5	0	0	0	113.7	F554 T558	F554-D556 WeakPolarHBondContact CB-OD1 3.25Å; F554-D556 PolarHBondContact O-N 2.66Å; D556-T558 VanDerWaalsContact CG-OG1 3.25Å; D556-T558 WeakPolarHBondContact OD1-CB 3.37Å; D556-T558 PolarHBondContact OD1-N 2.76Å; D556-T558 PolarHBondContact OD1-OG1 2.63Å; D556-T558 VanDerWaalsContact OD1-OG1 3.11Å; D556-T558 PolarHBondContact OD2-OG1 3.27Å
557	G	87.4	Confident	92.3	Very high	56 Å²	56	67.8 Å²	67.8	58%	0.577	39%	0.385	S	S	*	.	S	Bend	trans	87.3	-1.4	-176.1	0	0	0	0	0	114.4	F554 A555	F554-G557 PolarHBondContact O-N 3.01Å; F554-G557 VanDerWaalsContact O-N 3.12Å; A555-G557 PolarHBondContact O-N 3.21Å
558	T	93.3	Very high	92.5	Very high	8 Å²	8	66.1 Å²	66.1	5%	0.049	37%	0.374	C	S	.	.			trans	-71.3	141.2	172.8	-56.3	0	0	0	0	109.5	F554 D556 F570 C571 F572	F554-T558 WeakPolarHBondContact CB-O 3.35Å; F554-T558 HydrophobicContact CD2-CG2 4.21Å; F554-T558 WeakPolarHBondContact CD2-O 3.47Å; F554-T558 PolarHBondContact N-O 2.95Å; D556-T558 VanDerWaalsContact CG-OG1 3.25Å; D556-T558 WeakPolarHBondContact OD1-CB 3.37Å; D556-T558 PolarHBondContact OD1-N 2.76Å; D556-T558 PolarHBondContact OD1-OG1 2.63Å; D556-T558 VanDerWaalsContact OD1-OG1 3.11Å; D556-T558 PolarHBondContact OD2-OG1 3.27Å; T558-F570 HydrophobicContact CG2-CD1 4.48Å; T558-C571 WeakPolarHBondContact CA-O 3.29Å; T558-C571 WeakPolarHBondContact CG2-O 3.48Å; T558-F572 HydrophobicContact CG2-CD1 3.7Å; T558-F572 HydrophobicContact CG2-CE1 4.01Å; T558-F572 HydrophobicContact CG2-CG 4.41Å
559	S	94.5	Very high	92.8	Very high	47 Å²	47	66 Å²	66	33%	0.329	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.8	171.9	63.3	0	0	0	0	110.8	K552 F570 C571	K552-S559 CarbonylContact O-C 3.54Å; K552-S559 VanDerWaalsContact O-CA 3.3Å; K552-S559 WeakPolarHBondContact O-CA 3.41Å; S559-F570 CarbonylContact O-C 3.44Å; S559-F570 WeakPolarHBondContact O-CA 3.48Å; S559-C571 PolarHBondContact N-O 3Å; S559-C571 PolarHBondContact O-N 3.47Å
560	A	94.7	Very high	93	Very high	12 Å²	12	62.5 Å²	62.5	10%	0.099	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.2	176.2	0	0	0	0	0	111	S551 K552 F554 I569 F570	S551-A560 CarbonylContact C-O 3.56Å; S551-A560 WeakPolarHBondContact CA-O 3.23Å; K552-A560 PolarHBondContact N-O 3.2Å; K552-A560 PolarHBondContact O-N 2.95Å; F554-A560 HydrophobicContact CE2-CB 3.84Å; A560-I569 CarbonylContact C-O 3.57Å; A560-I569 VanDerWaalsContact CA-O 3.28Å; A560-I569 WeakPolarHBondContact CA-O 3.48Å; A560-F570 HydrophobicContact CB-CD1 3.6Å; A560-F570 HydrophobicContact CB-CE1 3.51Å; A560-F570 HydrophobicContact CB-CG 4.16Å; A560-F570 HydrophobicContact CB-CZ 3.99Å
561	E	95.7	Very high	93	Very high	67 Å²	67	61.9 Å²	61.9	31%	0.313	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.2	174.7	-171.7	177.6	-179.4	0	0	109.8	R549 Q550 E568 I569	R549-E561 IonicContact NH1-OE1 2.99Å; Q550-E561 CarbonylContact O-C 3.4Å; Q550-E561 WeakPolarHBondContact O-CA 3.26Å; E561-E568 CarbonylContact O-C 3.56Å; E561-E568 WeakPolarHBondContact O-CA 3.28Å; E561-I569 PolarHBondContact N-O 3.45Å; E561-I569 PolarHBondContact O-N 2.98Å
562	R	94.9	Very high	93	Very high	118 Å²	118	62.5 Å²	62.5	45%	0.445	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.8	174.1	-179.3	-175.6	-79.6	-166.7	-1.9	109.3	R549 Q550 T567 E568	R549-R562 WeakPolarHBondContact CA-O 3.18Å; Q550-R562 HydrophobicContact CB-CB 4.36Å; Q550-R562 PolarHBondContact N-O 3.23Å; Q550-R562 PolarHBondContact O-N 3.44Å; R562-T567 WeakPolarHBondContact CA-O 3.23Å; R562-E568 HydrophobicContact CB-CG 4.28Å; R562-E568 HydrophobicContact CG-CG 4.15Å; R562-E568 IonicContact CZ-OE1 3.55Å; R562-E568 IonicContact NE-OE1 2.67Å; R562-E568 PolarHBondContact NE-OE1 3.49Å; R562-E568 IonicContact NH2-OE1 3.52Å; R562-E568 PolarHBondContact NH2-OE1 2.98Å
563	S	93.1	Very high	92.9	Very high	34 Å²	34	67.1 Å²	67.1	24%	0.238	37%	0.372	C	S	.	.			trans	-81.6	164.8	174.9	-63.8	0	0	0	0	111.9	D565 G566 T567	S563-D565 PolarHBondContact O-N 3.49Å; S563-G566 PolarHBondContact O-N 3.27Å; S563-T567 PolarHBondContact N-O 3.03Å
564	V	90.8	Very high	92.8	Very high	98 Å²	98	64.7 Å²	64.7	59%	0.594	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-33.7	178.4	-173.2	0	0	0	0	111.8	D547 R549 G566	D547-V564 WeakPolarHBondContact O-CG2 3.49Å; R549-V564 HydrophobicContact CG-CG2 4.22Å; V564-G566 PolarHBondContact O-N 3Å; V564-G566 VanDerWaalsContact O-N 3.15Å
565	D	90.3	Very high	92.7	Very high	150 Å²	150	64.1 Å²	64.1	80%	0.802	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-4.4	178.3	-55.1	-25.4	0	0	0	113.5	S563	S563-D565 PolarHBondContact O-N 3.49Å
566	G	88.9	Confident	93	Very high	45 Å²	45	60.5 Å²	60.5	46%	0.464	35%	0.353	S	S	.	.	S	Bend	trans	88.5	-3.8	-177.2	0	0	0	0	0	114.7	S563 V564	S563-G566 PolarHBondContact O-N 3.27Å; V564-G566 PolarHBondContact O-N 3Å; V564-G566 VanDerWaalsContact O-N 3.15Å
567	T	93.6	Very high	93.4	Very high	34 Å²	34	60.5 Å²	60.5	21%	0.209	35%	0.349	C	S	.	.			trans	-64.5	130.1	172.6	-58.9	0	0	0	0	110.9	R562 S563 T579 R580 C581	R562-T567 WeakPolarHBondContact CA-O 3.23Å; S563-T567 PolarHBondContact N-O 3.03Å; T567-T579 HydrophobicContact CG2-CG2 3.82Å; T567-R580 WeakPolarHBondContact CA-O 3.36Å; T567-C581 WeakPolarHBondContact CG2-SG 3.4Å
568	E	95.8	Very high	93.8	Very high	40 Å²	40	58.5 Å²	58.5	19%	0.187	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136.2	177.4	-55.7	-175	153.4	0	0	111.2	E561 R562 F570 T579 R580	E561-E568 CarbonylContact O-C 3.56Å; E561-E568 WeakPolarHBondContact O-CA 3.28Å; R562-E568 HydrophobicContact CB-CG 4.28Å; R562-E568 HydrophobicContact CG-CG 4.15Å; R562-E568 IonicContact CZ-OE1 3.55Å; R562-E568 IonicContact NE-OE1 2.67Å; R562-E568 PolarHBondContact NE-OE1 3.49Å; R562-E568 IonicContact NH2-OE1 3.52Å; R562-E568 PolarHBondContact NH2-OE1 2.98Å; E568-F570 HydrophobicContact CB-CD2 4.43Å; E568-F570 HydrophobicContact CB-CE2 3.8Å; E568-F570 WeakPolarHBondContact OE2-CE2 3.37Å; E568-T579 CarbonylContact O-C 3.53Å; E568-T579 WeakPolarHBondContact O-CA 3.45Å; E568-R580 HydrophobicContact CB-CB 4.31Å; E568-R580 PolarHBondContact N-O 2.91Å; E568-R580 PolarHBondContact O-N 3.27Å
569	I	95.9	Very high	93.9	Very high	35 Å²	35	59 Å²	59	18%	0.179	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	113.3	179.5	-61.9	176.3	0	0	0	108.3	A560 E561 K577 E578 T579	A560-I569 CarbonylContact C-O 3.57Å; A560-I569 VanDerWaalsContact CA-O 3.28Å; A560-I569 WeakPolarHBondContact CA-O 3.48Å; E561-I569 PolarHBondContact N-O 3.45Å; E561-I569 PolarHBondContact O-N 2.98Å; I569-K577 HydrophobicContact CG2-CD 4.19Å; I569-K577 HydrophobicContact CG2-CG 3.97Å; I569-E578 CarbonylContact C-O 3.58Å; I569-E578 WeakPolarHBondContact CA-O 3.35Å; I569-T579 HydrophobicContact CG1-CG2 4.15Å
570	F	96.2	Very high	94	Very high	25 Å²	25	61 Å²	61	11%	0.11	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.9	174.4	-66	-101.2	0	0	0	109.7	F554 T558 S559 A560 E568 F572 K577 E578 R580	F554-F570 HydrophobicContact CE2-CE1 4.36Å; T558-F570 HydrophobicContact CG2-CD1 4.48Å; S559-F570 CarbonylContact O-C 3.44Å; S559-F570 WeakPolarHBondContact O-CA 3.48Å; A560-F570 HydrophobicContact CB-CD1 3.6Å; A560-F570 HydrophobicContact CB-CE1 3.51Å; A560-F570 HydrophobicContact CB-CG 4.16Å; A560-F570 HydrophobicContact CB-CZ 3.99Å; E568-F570 HydrophobicContact CB-CD2 4.43Å; E568-F570 HydrophobicContact CB-CE2 3.8Å; E568-F570 WeakPolarHBondContact OE2-CE2 3.37Å; F570-F572 HydrophobicContact CB-CE2 4.01Å; F570-F572 HydrophobicContact CB-CZ 3.99Å; F570-K577 CarbonylContact O-C 3.58Å; F570-K577 VanDerWaalsContact O-CA 3.26Å; F570-K577 WeakPolarHBondContact O-CA 3.4Å; F570-E578 HydrophobicContact CB-CB 4.29Å; F570-E578 PolarHBondContact N-O 3.42Å; F570-E578 PolarHBondContact O-N 3.46Å; F570-R580 HydrophobicContact CE2-CG 4.42Å
571	C	94.9	Very high	93.8	Very high	53 Å²	53	62 Å²	62	36%	0.358	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.1	167.6	-60.1	0	0	0	0	107.6	T558 S559	T558-C571 WeakPolarHBondContact CA-O 3.29Å; T558-C571 WeakPolarHBondContact CG2-O 3.48Å; S559-C571 PolarHBondContact N-O 3Å; S559-C571 PolarHBondContact O-N 3.47Å
572	F	94.2	Very high	93.6	Very high	49 Å²	49	68.3 Å²	68.3	22%	0.215	36%	0.361	C	S	.	.			trans	-92.9	159.1	-178.4	-63	-80.2	0	0	0	110.8	T558 F570 D574 G575 S576 E578	T558-F572 HydrophobicContact CG2-CD1 3.7Å; T558-F572 HydrophobicContact CG2-CE1 4.01Å; T558-F572 HydrophobicContact CG2-CG 4.41Å; F570-F572 HydrophobicContact CB-CE2 4.01Å; F570-F572 HydrophobicContact CB-CZ 3.99Å; F572-D574 WeakPolarHBondContact CB-OD1 3.47Å; F572-D574 PolarHBondContact O-N 3.48Å; F572-D574 VanDerWaalsContact O-N 3.1Å; F572-G575 PolarHBondContact O-N 2.9Å; F572-S576 WeakPolarHBondContact CD2-O 3.31Å; F572-S576 WeakPolarHBondContact CD2-OG 3.43Å; F572-S576 PolarHBondContact N-O 3.01Å; F572-E578 HydrophobicContact CE2-CB 3.68Å; F572-E578 HydrophobicContact CZ-CB 4.39Å
573	K	91.2	Very high	93.5	Very high	170 Å²	170	67.9 Å²	67.9	74%	0.739	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.6	176.8	67.1	-177.4	179.2	-174.4	0	114.9	G575	K573-G575 PolarHBondContact O-N 3.25Å
574	D	92.1	Very high	93.5	Very high	83 Å²	83	70 Å²	70	44%	0.444	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-1.4	177.3	66.6	-5.3	0	0	0	113	F572 S576 R587	F572-D574 WeakPolarHBondContact CB-OD1 3.47Å; F572-D574 PolarHBondContact O-N 3.48Å; F572-D574 VanDerWaalsContact O-N 3.1Å; D574-S576 VanDerWaalsContact C-N 3.28Å; D574-S576 VanDerWaalsContact CG-OG 3.22Å; D574-S576 VanDerWaalsContact OD1-CB 3.24Å; D574-S576 WeakPolarHBondContact OD1-CB 3.44Å; D574-S576 PolarHBondContact OD1-N 3.44Å; D574-S576 PolarHBondContact OD1-OG 2.96Å; D574-S576 PolarHBondContact OD2-OG 3.2Å; D574-S576 VanDerWaalsContact OD2-OG 3.1Å; D574-R587 IonicContact OD2-NH2 3.73Å
575	G	91.3	Very high	93.8	Very high	58 Å²	58	69 Å²	69	60%	0.598	36%	0.36	S	S	*	.	S	Bend	trans	83	-1.8	-175.1	0	0	0	0	0	114	F572 K573	F572-G575 PolarHBondContact O-N 2.9Å; K573-G575 PolarHBondContact O-N 3.25Å
576	S	95	Very high	94.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.337	C	S	.	.			trans	-73.1	147	172.7	69.6	0	0	0	0	111.2	F572 D574 R587 D588	F572-S576 WeakPolarHBondContact CD2-O 3.31Å; F572-S576 WeakPolarHBondContact CD2-OG 3.43Å; F572-S576 PolarHBondContact N-O 3.01Å; D574-S576 VanDerWaalsContact C-N 3.28Å; D574-S576 VanDerWaalsContact CG-OG 3.22Å; D574-S576 VanDerWaalsContact OD1-CB 3.24Å; D574-S576 WeakPolarHBondContact OD1-CB 3.44Å; D574-S576 PolarHBondContact OD1-N 3.44Å; D574-S576 PolarHBondContact OD1-OG 2.96Å; D574-S576 PolarHBondContact OD2-OG 3.2Å; D574-S576 VanDerWaalsContact OD2-OG 3.1Å; S576-R587 PolarHBondContact OG-NH2 3.36Å; S576-D588 CarbonylContact C-O 3.39Å; S576-D588 VanDerWaalsContact CA-O 3.28Å; S576-D588 WeakPolarHBondContact CA-O 3.34Å; S576-D588 WeakPolarHBondContact CB-O 3.43Å
577	K	96.6	Very high	94.5	Very high	89 Å²	89	66.9 Å²	66.9	39%	0.387	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.4	-179.2	-173.1	-179.6	-177.8	179.9	0	109.6	I569 F570 R587 D588	I569-K577 HydrophobicContact CG2-CD 4.19Å; I569-K577 HydrophobicContact CG2-CG 3.97Å; F570-K577 CarbonylContact O-C 3.58Å; F570-K577 VanDerWaalsContact O-CA 3.26Å; F570-K577 WeakPolarHBondContact O-CA 3.4Å; K577-R587 CarbonylContact O-C 3.58Å; K577-R587 WeakPolarHBondContact O-CA 3.44Å; K577-D588 HydrophobicContact CB-CB 4.34Å; K577-D588 PolarHBondContact N-O 3.47Å; K577-D588 PolarHBondContact O-N 3.27Å
578	E	96.7	Very high	94.6	Very high	13 Å²	13	66.8 Å²	66.8	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117	178.9	-176.1	179.5	125.3	0	0	110.7	I569 F570 F572 R580 M585 R586 R587	I569-E578 CarbonylContact C-O 3.58Å; I569-E578 WeakPolarHBondContact CA-O 3.35Å; F570-E578 HydrophobicContact CB-CB 4.29Å; F570-E578 PolarHBondContact N-O 3.42Å; F570-E578 PolarHBondContact O-N 3.46Å; F572-E578 HydrophobicContact CE2-CB 3.68Å; F572-E578 HydrophobicContact CZ-CB 4.39Å; E578-R580 HydrophobicContact CG-CG 4.44Å; E578-R580 IonicContact OE1-CZ 3.27Å; E578-R580 IonicContact OE1-NE 3.52Å; E578-R580 PolarHBondContact OE1-NE 3.45Å; E578-R580 IonicContact OE1-NH2 3.73Å; E578-R580 PolarHBondContact OE1-NH2 2.97Å; E578-M585 HydrophobicContact CG-CG 4.29Å; E578-R586 CarbonylContact C-O 3.47Å; E578-R586 WeakPolarHBondContact CA-O 3.49Å; E578-R587 HydrophobicContact CB-CB 4.47Å; E578-R587 HydrophobicContact CB-CG 4.33Å; E578-R587 HydrophobicContact CG-CB 4.39Å; E578-R587 IonicContact OE2-CZ 2.78Å; E578-R587 IonicContact OE2-NH1 2.68Å; E578-R587 PolarHBondContact OE2-NH1 2.95Å
579	T	96.5	Very high	94.6	Very high	18 Å²	18	67.5 Å²	67.5	11%	0.11	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	120.6	176.2	-54	0	0	0	0	109.4	T567 E568 I569 M585 R586	T567-T579 HydrophobicContact CG2-CG2 3.82Å; E568-T579 CarbonylContact O-C 3.53Å; E568-T579 WeakPolarHBondContact O-CA 3.45Å; I569-T579 HydrophobicContact CG1-CG2 4.15Å; T579-M585 CarbonylContact O-C 3.59Å; T579-M585 WeakPolarHBondContact O-CA 3.11Å; T579-R586 PolarHBondContact N-O 3.4Å; T579-R586 PolarHBondContact O-N 3.36Å
580	R	95.1	Very high	94.4	Very high	89 Å²	89	70.3 Å²	70.3	34%	0.336	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	114.6	176.2	-58.4	-177.7	-178.4	164.5	0.5	109	T567 E568 F570 E578 M585	T567-R580 WeakPolarHBondContact CA-O 3.36Å; E568-R580 HydrophobicContact CB-CB 4.31Å; E568-R580 PolarHBondContact N-O 2.91Å; E568-R580 PolarHBondContact O-N 3.27Å; F570-R580 HydrophobicContact CE2-CG 4.42Å; E578-R580 HydrophobicContact CG-CG 4.44Å; E578-R580 IonicContact OE1-CZ 3.27Å; E578-R580 IonicContact OE1-NE 3.52Å; E578-R580 PolarHBondContact OE1-NE 3.45Å; E578-R580 IonicContact OE1-NH2 3.73Å; E578-R580 PolarHBondContact OE1-NH2 2.97Å; R580-M585 HydrophobicContact CG-CG 4.18Å; R580-M585 HydrophobicContact CG-SD 4.44Å
581	C	92	Very high	94.2	Very high	34 Å²	34	73.8 Å²	73.8	23%	0.23	37%	0.368	C	S	.	.			trans	-112.8	174.5	172.1	-62.1	0	0	0	0	109.1	T567 D583 Y584	T567-C581 WeakPolarHBondContact CG2-SG 3.4Å; C581-D583 VanDerWaalsContact C-N 3.26Å; C581-D583 PolarHBondContact O-N 3.38Å; C581-Y584 HydrophobicContact CB-CD1 4.41Å; C581-Y584 HydrophobicContact CB-CE1 4.26Å; C581-Y584 PolarHBondContact N-O 3.07Å
582	K	91.1	Very high	94.1	Very high	199 Å²	199	73.4 Å²	73.4	87%	0.865	37%	0.373	S	S	*	.	S	Bend	trans	-62.4	-35.4	171.4	-171.4	-178.7	177.1	-172.5	0	112.4
583	D	93	Very high	94.1	Very high	109 Å²	109	72.5 Å²	72.5	58%	0.583	37%	0.371	S	S	*	.	S	Bend	trans	-93.1	-25.6	-170.8	-53.8	-33.2	0	0	0	113.2	C581 A599	C581-D583 VanDerWaalsContact C-N 3.26Å; C581-D583 PolarHBondContact O-N 3.38Å; D583-A599 WeakPolarHBondContact O-CB 3.4Å; D583-A599 PolarHBondContact O-N 3.4Å
584	Y	93.3	Very high	94.3	Very high	80 Å²	80	65.4 Å²	65.4	31%	0.314	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	161.5	-178.2	65.9	-93	0	0	0	112.8	C581 R586 I596 K597	C581-Y584 HydrophobicContact CB-CD1 4.41Å; C581-Y584 HydrophobicContact CB-CE1 4.26Å; C581-Y584 PolarHBondContact N-O 3.07Å; Y584-R586 HydrophobicContact CD2-CB 3.76Å; Y584-R586 HydrophobicContact CE2-CB 3.69Å; Y584-I596 HydrophobicContact CD2-CG2 3.97Å; Y584-I596 HydrophobicContact CG-CG2 4.12Å; Y584-K597 CarbonylContact C-O 3.49Å; Y584-K597 VanDerWaalsContact CA-O 3.25Å; Y584-K597 WeakPolarHBondContact CA-O 3.39Å; Y584-K597 WeakPolarHBondContact CB-O 3.33Å
585	M	95.5	Very high	94.5	Very high	76 Å²	76	66.1 Å²	66.1	37%	0.374	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	112.9	168.6	174.9	171.7	35.7	0	0	108.8	E578 T579 R580 I596 K597	E578-M585 HydrophobicContact CG-CG 4.29Å; T579-M585 CarbonylContact O-C 3.59Å; T579-M585 WeakPolarHBondContact O-CA 3.11Å; R580-M585 HydrophobicContact CG-CG 4.18Å; R580-M585 HydrophobicContact CG-SD 4.44Å; M585-I596 CarbonylContact O-C 3.53Å; M585-I596 WeakPolarHBondContact O-CA 3.37Å; M585-K597 HydrophobicContact CE-CD 4.31Å; M585-K597 PolarHBondContact N-O 3.43Å; M585-K597 PolarHBondContact O-N 3.5Å
586	R	97	Very high	94.8	Very high	85 Å²	85	63.9 Å²	63.9	32%	0.321	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.6	-177.7	169.3	177	173.6	174.7	0.2	109.9	E578 T579 Y584 D588 V594 K595 I596	E578-R586 CarbonylContact C-O 3.47Å; E578-R586 WeakPolarHBondContact CA-O 3.49Å; T579-R586 PolarHBondContact N-O 3.4Å; T579-R586 PolarHBondContact O-N 3.36Å; Y584-R586 HydrophobicContact CD2-CB 3.76Å; Y584-R586 HydrophobicContact CE2-CB 3.69Å; R586-D588 IonicContact CZ-OD1 3.41Å; R586-D588 IonicContact CZ-OD2 3.72Å; R586-D588 IonicContact NE-OD1 3.88Å; R586-D588 PolarHBondContact NE-OD1 2.91Å; R586-D588 IonicContact NE-OD2 2.89Å; R586-D588 PolarHBondContact NE-OD2 3.4Å; R586-D588 IonicContact NH2-OD1 3.61Å; R586-D588 PolarHBondContact NH2-OD1 3.01Å; R586-D588 IonicContact NH2-OD2 3.65Å; R586-V594 HydrophobicContact CG-CG1 3.84Å; R586-K595 CarbonylContact C-O 3.58Å; R586-K595 WeakPolarHBondContact CA-O 3.47Å; R586-I596 HydrophobicContact CB-CG1 4.19Å; R586-I596 HydrophobicContact CG-CG1 4.07Å
587	R	96.8	Very high	94.8	Very high	66 Å²	66	68.6 Å²	68.6	25%	0.249	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	115.5	171.8	-171	167.6	-174.9	134.5	-1.4	110.4	D574 S576 K577 E578 F589 V594 K595	D574-R587 IonicContact OD2-NH2 3.73Å; S576-R587 PolarHBondContact OG-NH2 3.36Å; K577-R587 CarbonylContact O-C 3.58Å; K577-R587 WeakPolarHBondContact O-CA 3.44Å; E578-R587 HydrophobicContact CB-CB 4.47Å; E578-R587 HydrophobicContact CB-CG 4.33Å; E578-R587 HydrophobicContact CG-CB 4.39Å; E578-R587 IonicContact OE2-CZ 2.78Å; E578-R587 IonicContact OE2-NH1 2.68Å; E578-R587 PolarHBondContact OE2-NH1 2.95Å; R587-F589 HydrophobicContact CB-CE2 4.2Å; R587-F589 HydrophobicContact CB-CZ 4.41Å; R587-F589 HydrophobicContact CG-CE1 4.3Å; R587-F589 HydrophobicContact CG-CE2 3.98Å; R587-F589 HydrophobicContact CG-CZ 3.87Å; R587-V594 WeakPolarHBondContact O-CA 3.45Å; R587-K595 PolarHBondContact N-O 3.44Å; R587-K595 PolarHBondContact O-N 3.16Å
588	D	96	Very high	94.7	Very high	32 Å²	32	66.9 Å²	66.9	17%	0.171	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.1	172.5	-55	-60.9	0	0	0	108.7	S576 K577 R586 V594	S576-D588 CarbonylContact C-O 3.39Å; S576-D588 VanDerWaalsContact CA-O 3.28Å; S576-D588 WeakPolarHBondContact CA-O 3.34Å; S576-D588 WeakPolarHBondContact CB-O 3.43Å; K577-D588 HydrophobicContact CB-CB 4.34Å; K577-D588 PolarHBondContact N-O 3.47Å; K577-D588 PolarHBondContact O-N 3.27Å; R586-D588 IonicContact CZ-OD1 3.41Å; R586-D588 IonicContact CZ-OD2 3.72Å; R586-D588 IonicContact NE-OD1 3.88Å; R586-D588 PolarHBondContact NE-OD1 2.91Å; R586-D588 IonicContact NE-OD2 2.89Å; R586-D588 PolarHBondContact NE-OD2 3.4Å; R586-D588 IonicContact NH2-OD1 3.61Å; R586-D588 PolarHBondContact NH2-OD1 3.01Å; R586-D588 IonicContact NH2-OD2 3.65Å; D588-V594 VanDerWaalsContact OD1-CG1 3.31Å; D588-V594 WeakPolarHBondContact OD1-CG1 3.49Å; D588-V594 VanDerWaalsContact OD1-CG2 3.27Å; D588-V594 WeakPolarHBondContact OD1-CG2 3.35Å
589	F	95.7	Very high	94.5	Very high	55 Å²	55	70.1 Å²	70.1	24%	0.241	36%	0.358	C	S	.	.			trans	-95.9	151.1	179.2	-67.2	-88.5	0	0	0	110.4	R587 N591 G592 D593 K595	R587-F589 HydrophobicContact CB-CE2 4.2Å; R587-F589 HydrophobicContact CB-CZ 4.41Å; R587-F589 HydrophobicContact CG-CE1 4.3Å; R587-F589 HydrophobicContact CG-CE2 3.98Å; R587-F589 HydrophobicContact CG-CZ 3.87Å; F589-N591 WeakPolarHBondContact CB-OD1 3.42Å; F589-N591 PolarHBondContact O-N 3.4Å; F589-N591 VanDerWaalsContact O-N 3.11Å; F589-G592 PolarHBondContact O-N 2.91Å; F589-D593 HydrophobicContact CB-CB 4.4Å; F589-D593 WeakPolarHBondContact CB-O 3.41Å; F589-D593 HydrophobicContact CD2-CB 4.33Å; F589-D593 WeakPolarHBondContact CD2-O 3.48Å; F589-D593 PolarHBondContact N-O 3.45Å; F589-K595 HydrophobicContact CE2-CB 4.07Å; F589-K595 HydrophobicContact CE2-CD 3.72Å; F589-K595 HydrophobicContact CE2-CG 3.79Å; F589-K595 HydrophobicContact CZ-CD 4.06Å
590	P	93.2	Very high	94.2	Very high	94 Å²	94	74.3 Å²	74.3	61%	0.61	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.4	-179.4	25.8	-36.1	0	0	0	113.6	G592	P590-G592 PolarHBondContact O-N 2.88Å
591	N	92.1	Very high	94.1	Very high	98 Å²	98	71.7 Å²	71.7	52%	0.524	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-1.8	174.3	70.1	-14.5	0	0	0	113.8	F589 D593 A608	F589-N591 WeakPolarHBondContact CB-OD1 3.42Å; F589-N591 PolarHBondContact O-N 3.4Å; F589-N591 VanDerWaalsContact O-N 3.11Å; N591-D593 VanDerWaalsContact ND2-CG 3.34Å; N591-D593 PolarHBondContact ND2-OD2 3.4Å; N591-D593 WeakPolarHBondContact OD1-CB 3.27Å; N591-D593 PolarHBondContact OD1-N 3.22Å; N591-A608 WeakPolarHBondContact O-CB 3.36Å
592	G	91.5	Very high	94.2	Very high	45 Å²	45	71 Å²	71	46%	0.464	38%	0.375	S	S	.	.	S	Bend	trans	89.8	-5.5	-177	0	0	0	0	0	114.7	F589 P590	F589-G592 PolarHBondContact O-N 2.91Å; P590-G592 PolarHBondContact O-N 2.88Å
593	D	94.3	Very high	94.4	Very high	30 Å²	30	64.3 Å²	64.3	16%	0.16	35%	0.347	C	S	.	.			trans	-70.9	146.8	172.8	-64.8	-19.6	0	0	0	110.3	F589 N591 R606 Y607 A608	F589-D593 HydrophobicContact CB-CB 4.4Å; F589-D593 WeakPolarHBondContact CB-O 3.41Å; F589-D593 HydrophobicContact CD2-CB 4.33Å; F589-D593 WeakPolarHBondContact CD2-O 3.48Å; F589-D593 PolarHBondContact N-O 3.45Å; N591-D593 VanDerWaalsContact ND2-CG 3.34Å; N591-D593 PolarHBondContact ND2-OD2 3.4Å; N591-D593 WeakPolarHBondContact OD1-CB 3.27Å; N591-D593 PolarHBondContact OD1-N 3.22Å; D593-R606 CarbonylContact C-O 3.52Å; D593-R606 WeakPolarHBondContact CA-O 3.4Å; D593-Y607 VanDerWaalsContact OD1-CA 3.22Å; D593-Y607 WeakPolarHBondContact OD1-CA 3.31Å; D593-A608 PolarHBondContact OD1-N 3.45Å
594	V	96.4	Very high	94.5	Very high	20 Å²	20	60.8 Å²	60.8	12%	0.121	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.4	177.2	-176.2	0	0	0	0	109.3	R586 R587 D588 I596 T605 R606	R586-V594 HydrophobicContact CG-CG1 3.84Å; R587-V594 WeakPolarHBondContact O-CA 3.45Å; D588-V594 VanDerWaalsContact OD1-CG1 3.31Å; D588-V594 WeakPolarHBondContact OD1-CG1 3.49Å; D588-V594 VanDerWaalsContact OD1-CG2 3.27Å; D588-V594 WeakPolarHBondContact OD1-CG2 3.35Å; V594-I596 HydrophobicContact CG1-CD1 4.44Å; V594-I596 HydrophobicContact CG1-CG1 4.03Å; V594-T605 CarbonylContact O-C 3.55Å; V594-T605 WeakPolarHBondContact O-CA 3.45Å; V594-R606 HydrophobicContact CB-CB 4.27Å; V594-R606 PolarHBondContact N-O 2.87Å; V594-R606 PolarHBondContact O-N 2.82Å
595	K	95.6	Very high	94.6	Very high	99 Å²	99	57.3 Å²	57.3	43%	0.43	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.9	172	-69.7	-179.5	-176	169	0	110	R586 R587 F589 E604 T605	R586-K595 CarbonylContact C-O 3.58Å; R586-K595 WeakPolarHBondContact CA-O 3.47Å; R587-K595 PolarHBondContact N-O 3.44Å; R587-K595 PolarHBondContact O-N 3.16Å; F589-K595 HydrophobicContact CE2-CB 4.07Å; F589-K595 HydrophobicContact CE2-CD 3.72Å; F589-K595 HydrophobicContact CE2-CG 3.79Å; F589-K595 HydrophobicContact CZ-CD 4.06Å; K595-E604 CarbonylContact C-O 3.57Å; K595-E604 WeakPolarHBondContact CA-O 3.4Å; K595-T605 HydrophobicContact CG-CG2 3.97Å
596	I	96.4	Very high	94.6	Very high	11 Å²	11	58.9 Å²	58.9	6%	0.056	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.2	178	-49.7	173.5	0	0	0	107.6	Y584 M585 R586 V594 E603 E604	Y584-I596 HydrophobicContact CD2-CG2 3.97Å; Y584-I596 HydrophobicContact CG-CG2 4.12Å; M585-I596 CarbonylContact O-C 3.53Å; M585-I596 WeakPolarHBondContact O-CA 3.37Å; R586-I596 HydrophobicContact CB-CG1 4.19Å; R586-I596 HydrophobicContact CG-CG1 4.07Å; V594-I596 HydrophobicContact CG1-CD1 4.44Å; V594-I596 HydrophobicContact CG1-CG1 4.03Å; I596-E603 CarbonylContact O-C 3.57Å; I596-E603 WeakPolarHBondContact O-CA 3.3Å; I596-E604 HydrophobicContact CB-CB 4.23Å; I596-E604 PolarHBondContact N-O 3.34Å; I596-E604 PolarHBondContact O-N 3.43Å
597	K	95.6	Very high	94.4	Very high	98 Å²	98	58.3 Å²	58.3	43%	0.426	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118	169.6	-56.4	-161.7	-177.1	-150.5	0	108.1	Y584 M585 E603	Y584-K597 CarbonylContact C-O 3.49Å; Y584-K597 VanDerWaalsContact CA-O 3.25Å; Y584-K597 WeakPolarHBondContact CA-O 3.39Å; Y584-K597 WeakPolarHBondContact CB-O 3.33Å; M585-K597 HydrophobicContact CE-CD 4.31Å; M585-K597 PolarHBondContact N-O 3.43Å; M585-K597 PolarHBondContact O-N 3.5Å; K597-E603 HydrophobicContact CD-CG 4.35Å; K597-E603 WeakPolarHBondContact CD-OE1 3.47Å; K597-E603 WeakPolarHBondContact CE-OE1 3.4Å; K597-E603 HydrophobicContact CG-CG 4.11Å; K597-E603 IonicContact NZ-OE1 3.49Å; K597-E603 PolarHBondContact NZ-OE1 2.97Å
598	H	94.4	Very high	94.2	Very high	53 Å²	53	58.3 Å²	58.3	25%	0.245	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	161.3	-179.8	-66	-72.2	0	0	0	111.1	D600 G601 T602 E604	H598-D600 WeakPolarHBondContact CB-OD1 3.39Å; H598-D600 PolarHBondContact O-N 3.02Å; H598-G601 PolarHBondContact O-N 2.92Å; H598-T602 PolarHBondContact CD2-OG1 3.3Å; H598-T602 PolarHBondContact N-O 2.95Å; H598-E604 IonicContact CD2-OE1 2.7Å; H598-E604 IonicContact CE1-OE1 2.87Å; H598-E604 VanDerWaalsContact NE2-CD 3.34Å; H598-E604 IonicContact NE2-OE1 3.13Å; H598-E604 PolarHBondContact NE2-OE1 2.83Å
599	A	92.2	Very high	93.9	Very high	82 Å²	82	61.2 Å²	61.2	68%	0.678	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24	179	0	0	0	0	0	113.4	D583 G601	D583-A599 WeakPolarHBondContact O-CB 3.4Å; D583-A599 PolarHBondContact O-N 3.4Å; A599-G601 PolarHBondContact O-N 2.92Å
600	D	91.7	Very high	93.6	Very high	105 Å²	105	58.8 Å²	58.8	56%	0.561	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.1	174.4	68.2	-2.3	0	0	0	113.6	H598 T602 P617	H598-D600 WeakPolarHBondContact CB-OD1 3.39Å; H598-D600 PolarHBondContact O-N 3.02Å; D600-T602 WeakPolarHBondContact OD1-CB 3.35Å; D600-T602 WeakPolarHBondContact OD1-CG2 3.48Å; D600-T602 PolarHBondContact OD1-N 3.23Å; D600-T602 PolarHBondContact OD1-OG1 2.86Å; D600-T602 WeakPolarHBondContact OD2-CG2 3.47Å; D600-T602 PolarHBondContact OD2-OG1 3.46Å; D600-P617 VanDerWaalsContact O-CG 3.27Å; D600-P617 WeakPolarHBondContact O-CG 3.35Å
601	G	91.3	Very high	93.6	Very high	35 Å²	35	58.9 Å²	58.9	36%	0.361	33%	0.33	S	S	.	.	S	Bend	trans	89.1	-3.8	-178.2	0	0	0	0	0	114.6	H598 A599 P617	H598-G601 PolarHBondContact O-N 2.92Å; A599-G601 PolarHBondContact O-N 2.92Å; G601-P617 WeakPolarHBondContact O-CA 3.37Å
602	T	95.2	Very high	93.7	Very high	20 Å²	20	55.6 Å²	55.6	12%	0.123	31%	0.312	C	S	.	.			trans	-68.5	146.5	174.1	62.8	0	0	0	0	111	H598 D600 K615 P617	H598-T602 PolarHBondContact CD2-OG1 3.3Å; H598-T602 PolarHBondContact N-O 2.95Å; D600-T602 WeakPolarHBondContact OD1-CB 3.35Å; D600-T602 WeakPolarHBondContact OD1-CG2 3.48Å; D600-T602 PolarHBondContact OD1-N 3.23Å; D600-T602 PolarHBondContact OD1-OG1 2.86Å; D600-T602 WeakPolarHBondContact OD2-CG2 3.47Å; D600-T602 PolarHBondContact OD2-OG1 3.46Å; T602-K615 WeakPolarHBondContact CA-O 3.25Å; T602-K615 WeakPolarHBondContact CB-O 3.44Å; T602-P617 HydrophobicContact CG2-CG 4.44Å
603	E	96.2	Very high	93.8	Very high	57 Å²	57	57.1 Å²	57.1	27%	0.266	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118	179.7	-58.9	-169	158.7	0	0	110.9	I596 K597 L614 K615	I596-E603 CarbonylContact O-C 3.57Å; I596-E603 WeakPolarHBondContact O-CA 3.3Å; K597-E603 HydrophobicContact CD-CG 4.35Å; K597-E603 WeakPolarHBondContact CD-OE1 3.47Å; K597-E603 WeakPolarHBondContact CE-OE1 3.4Å; K597-E603 HydrophobicContact CG-CG 4.11Å; K597-E603 IonicContact NZ-OE1 3.49Å; K597-E603 PolarHBondContact NZ-OE1 2.97Å; E603-L614 CarbonylContact O-C 3.52Å; E603-L614 WeakPolarHBondContact O-CA 3.48Å; E603-K615 HydrophobicContact CB-CB 4.38Å; E603-K615 PolarHBondContact N-O 2.94Å; E603-K615 PolarHBondContact O-N 3.49Å
604	E	94.8	Very high	93.9	Very high	35 Å²	35	57.2 Å²	57.2	16%	0.164	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.3	169.5	-70.1	178.2	-153.3	0	0	110.5	K595 I596 H598 R606 R613 L614	K595-E604 CarbonylContact C-O 3.57Å; K595-E604 WeakPolarHBondContact CA-O 3.4Å; I596-E604 HydrophobicContact CB-CB 4.23Å; I596-E604 PolarHBondContact N-O 3.34Å; I596-E604 PolarHBondContact O-N 3.43Å; H598-E604 IonicContact CD2-OE1 2.7Å; H598-E604 IonicContact CE1-OE1 2.87Å; H598-E604 VanDerWaalsContact NE2-CD 3.34Å; H598-E604 IonicContact NE2-OE1 3.13Å; H598-E604 PolarHBondContact NE2-OE1 2.83Å; E604-R606 IonicContact OE2-CZ 3.27Å; E604-R606 IonicContact OE2-NE 3.89Å; E604-R606 PolarHBondContact OE2-NE 2.99Å; E604-R606 IonicContact OE2-NH2 2.74Å; E604-R606 PolarHBondContact OE2-NH2 3.22Å; E604-R613 CarbonylContact C-O 3.57Å; E604-R613 WeakPolarHBondContact CA-O 3.33Å; E604-L614 HydrophobicContact CB-CD1 4.49Å; E604-L614 HydrophobicContact CG-CD1 3.39Å
605	T	95.5	Very high	93.8	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.043	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.3	166.5	-55.6	0	0	0	0	108.7	V594 K595 Y607 L612 R613	V594-T605 CarbonylContact O-C 3.55Å; V594-T605 WeakPolarHBondContact O-CA 3.45Å; K595-T605 HydrophobicContact CG-CG2 3.97Å; T605-Y607 HydrophobicContact CG2-CD1 4.27Å; T605-Y607 HydrophobicContact CG2-CD2 4.23Å; T605-Y607 HydrophobicContact CG2-CE1 3.83Å; T605-Y607 HydrophobicContact CG2-CE2 3.78Å; T605-Y607 HydrophobicContact CG2-CG 4.48Å; T605-L612 WeakPolarHBondContact O-CA 3.43Å; T605-R613 PolarHBondContact N-O 3.13Å; T605-R613 PolarHBondContact O-N 3.26Å
606	R	94.5	Very high	93.7	Very high	109 Å²	109	55.7 Å²	55.7	41%	0.411	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.7	172	-65	172.4	-167	-173	4.3	107.4	D593 V594 E604 L612	D593-R606 CarbonylContact C-O 3.52Å; D593-R606 WeakPolarHBondContact CA-O 3.4Å; V594-R606 HydrophobicContact CB-CB 4.27Å; V594-R606 PolarHBondContact N-O 2.87Å; V594-R606 PolarHBondContact O-N 2.82Å; E604-R606 IonicContact OE2-CZ 3.27Å; E604-R606 IonicContact OE2-NE 3.89Å; E604-R606 PolarHBondContact OE2-NE 2.99Å; E604-R606 IonicContact OE2-NH2 2.74Å; E604-R606 PolarHBondContact OE2-NH2 3.22Å; R606-L612 HydrophobicContact CG-CD1 3.44Å; R606-L612 VanDerWaalsContact CG-CD1 3.44Å
607	Y	93.8	Very high	93.6	Very high	73 Å²	73	59.2 Å²	59.2	29%	0.286	32%	0.321	S	S	.	.			trans	-85.1	150.9	177.3	-63.6	-83	0	0	0	110.2	D593 T605 S609 G610 R611 R613	D593-Y607 VanDerWaalsContact OD1-CA 3.22Å; D593-Y607 WeakPolarHBondContact OD1-CA 3.31Å; T605-Y607 HydrophobicContact CG2-CD1 4.27Å; T605-Y607 HydrophobicContact CG2-CD2 4.23Å; T605-Y607 HydrophobicContact CG2-CE1 3.83Å; T605-Y607 HydrophobicContact CG2-CE2 3.78Å; T605-Y607 HydrophobicContact CG2-CG 4.48Å; Y607-S609 PolarHBondContact O-N 2.84Å; Y607-S609 VanDerWaalsContact O-N 3.08Å; Y607-G610 PolarHBondContact O-N 3.37Å; Y607-R611 HydrophobicContact CD2-CB 3.86Å; Y607-R611 HydrophobicContact CD2-CG 3.98Å; Y607-R611 WeakPolarHBondContact CD2-O 3.39Å; Y607-R611 HydrophobicContact CE2-CG 4.46Å; Y607-R611 HydrophobicContact CG-CB 4.43Å; Y607-R611 PolarHBondContact N-O 3Å; Y607-R613 HydrophobicContact CE2-CB 4.18Å
608	A	90.8	Very high	93.5	Very high	66 Å²	66	60.1 Å²	60.1	55%	0.545	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.1	175.2	0	0	0	0	0	113	N591 D593 G610	N591-A608 WeakPolarHBondContact O-CB 3.36Å; D593-A608 PolarHBondContact OD1-N 3.45Å; A608-G610 PolarHBondContact O-N 2.92Å
609	S	90.4	Very high	93.3	Very high	93 Å²	93	59.7 Å²	59.7	65%	0.65	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-4.3	174.2	61.8	0	0	0	0	114.8	Y607	Y607-S609 PolarHBondContact O-N 2.84Å; Y607-S609 VanDerWaalsContact O-N 3.08Å
610	G	89.1	Confident	93.2	Very high	5 Å²	5	63 Å²	63	5%	0.052	34%	0.344	C	S	.	.	S	Bend	trans	89.1	-3.9	-175	0	0	0	0	0	114.7	Y607 A608 F627	Y607-G610 PolarHBondContact O-N 3.37Å; A608-G610 PolarHBondContact O-N 2.92Å; G610-F627 CarbonylContact C-O 3.58Å; G610-F627 VanDerWaalsContact CA-O 3.27Å; G610-F627 WeakPolarHBondContact CA-O 3.06Å; G610-F627 WeakPolarHBondContact O-CB 3.32Å; G610-F627 PolarHBondContact O-N 2.94Å
611	R	93.5	Very high	93.3	Very high	96 Å²	96	60.2 Å²	60.2	36%	0.362	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	133.7	172.9	-174.6	179.1	178.5	176.5	1.7	111.3	Y607 D624 E625 I626	Y607-R611 HydrophobicContact CD2-CB 3.86Å; Y607-R611 HydrophobicContact CD2-CG 3.98Å; Y607-R611 WeakPolarHBondContact CD2-O 3.39Å; Y607-R611 HydrophobicContact CE2-CG 4.46Å; Y607-R611 HydrophobicContact CG-CB 4.43Å; Y607-R611 PolarHBondContact N-O 3Å; R611-D624 IonicContact CZ-OD1 2.76Å; R611-D624 IonicContact CZ-OD2 3.81Å; R611-D624 IonicContact NE-OD1 2.62Å; R611-D624 PolarHBondContact NE-OD1 2.92Å; R611-D624 IonicContact NE-OD2 3.9Å; R611-D624 VanDerWaalsContact NH2-CG 3.34Å; R611-D624 IonicContact NH2-OD1 2.8Å; R611-D624 PolarHBondContact NH2-OD1 3.26Å; R611-D624 IonicContact NH2-OD2 3.93Å; R611-D624 PolarHBondContact NH2-OD2 2.95Å; R611-E625 CarbonylContact C-O 3.46Å; R611-E625 VanDerWaalsContact CA-O 3.29Å; R611-E625 WeakPolarHBondContact CA-O 3.44Å; R611-I626 HydrophobicContact CB-CG1 4.15Å; R611-I626 HydrophobicContact CG-CG1 4.06Å
612	L	93.5	Very high	93.4	Very high	29 Å²	29	63.7 Å²	63.7	15%	0.152	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.6	174.2	175.9	73.7	0	0	0	109.2	T605 R606 D624 E625 F627	T605-L612 WeakPolarHBondContact O-CA 3.43Å; R606-L612 HydrophobicContact CG-CD1 3.44Å; R606-L612 VanDerWaalsContact CG-CD1 3.44Å; L612-D624 CarbonylContact O-C 3.59Å; L612-D624 WeakPolarHBondContact O-CA 3.38Å; L612-E625 PolarHBondContact N-O 3.49Å; L612-E625 PolarHBondContact O-N 3.45Å; L612-F627 HydrophobicContact CB-CD2 4.2Å; L612-F627 HydrophobicContact CB-CE2 4.32Å; L612-F627 HydrophobicContact CD2-CE2 4.02Å
613	R	94.7	Very high	93.3	Very high	77 Å²	77	68.8 Å²	68.8	29%	0.291	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.7	174.7	-171	173.7	175.5	-178.3	0.9	110.3	E604 T605 Y607 V621 R623	E604-R613 CarbonylContact C-O 3.57Å; E604-R613 WeakPolarHBondContact CA-O 3.33Å; T605-R613 PolarHBondContact N-O 3.13Å; T605-R613 PolarHBondContact O-N 3.26Å; Y607-R613 HydrophobicContact CE2-CB 4.18Å; R613-V621 HydrophobicContact CG-CG1 3.88Å; R613-V621 HydrophobicContact CG-CG2 4.47Å; R613-R623 CarbonylContact C-O 3.59Å; R613-R623 WeakPolarHBondContact CA-O 3.35Å
614	L	95.4	Very high	93.1	Very high	32 Å²	32	69.2 Å²	69.2	17%	0.168	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.9	178.1	179.1	68.1	0	0	0	109.9	E603 E604 I622 R623	E603-L614 CarbonylContact O-C 3.52Å; E603-L614 WeakPolarHBondContact O-CA 3.48Å; E604-L614 HydrophobicContact CB-CD1 4.49Å; E604-L614 HydrophobicContact CG-CD1 3.39Å; L614-I622 PolarHBondContact O-N 3.26Å; L614-R623 HydrophobicContact CB-CB 4.01Å; L614-R623 HydrophobicContact CD2-CB 4.49Å; L614-R623 PolarHBondContact N-O 3.25Å; L614-R623 PolarHBondContact O-N 3.46Å
615	K	96.2	Very high	93	Very high	52 Å²	52	71.1 Å²	71.1	23%	0.226	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145.6	176.3	-59.2	176.5	-173.9	173.2	0	110.8	T602 E603 K620 V621	T602-K615 WeakPolarHBondContact CA-O 3.25Å; T602-K615 WeakPolarHBondContact CB-O 3.44Å; E603-K615 HydrophobicContact CB-CB 4.38Å; E603-K615 PolarHBondContact N-O 2.94Å; E603-K615 PolarHBondContact O-N 3.49Å; K615-K620 CarbonylContact C-O 3.48Å; K615-K620 VanDerWaalsContact CA-O 3.22Å; K615-K620 WeakPolarHBondContact CA-O 3.32Å; K615-V621 HydrophobicContact CG-CG2 4.36Å
616	D	93.3	Very high	92.6	Very high	34 Å²	34	77.2 Å²	77.2	18%	0.182	40%	0.401	C	S	.	.			trans	-72.7	171	169.7	68.8	16	0	0	0	111.3	T618 G619 K620 I622	D616-T618 PolarHBondContact O-N 2.96Å; D616-T618 VanDerWaalsContact OD1-CA 3.3Å; D616-T618 WeakPolarHBondContact OD1-CA 3.48Å; D616-T618 WeakPolarHBondContact OD1-CB 3.46Å; D616-T618 PolarHBondContact OD1-N 3.4Å; D616-T618 PolarHBondContact OD1-OG1 2.88Å; D616-T618 PolarHBondContact OD2-OG1 3.26Å; D616-T618 VanDerWaalsContact OD2-OG1 3.14Å; D616-G619 PolarHBondContact O-N 3.24Å; D616-G619 PolarHBondContact OD1-N 3.43Å; D616-K620 PolarHBondContact N-O 3.06Å; D616-K620 PolarHBondContact OD1-N 3.46Å; D616-K620 WeakPolarHBondContact OD2-CB 3.47Å; D616-I622 HydrophobicContact CB-CD1 3.53Å; D616-I622 HydrophobicContact CB-CG1 3.73Å
617	P	93.9	Very high	91.5	Very high	85 Å²	85	76.8 Å²	76.8	55%	0.552	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.5	176.5	-25.2	36.1	0	0	0	114.5	D600 G601 T602 G619	D600-P617 VanDerWaalsContact O-CG 3.27Å; D600-P617 WeakPolarHBondContact O-CG 3.35Å; G601-P617 WeakPolarHBondContact O-CA 3.37Å; T602-P617 HydrophobicContact CG2-CG 4.44Å; P617-G619 VanDerWaalsContact C-N 3.34Å
618	T	92.4	Very high	89.9	Confident	118 Å²	118	77.8 Å²	77.8	72%	0.724	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.8	175.2	76.6	0	0	0	0	112.9	D616	D616-T618 PolarHBondContact O-N 2.96Å; D616-T618 VanDerWaalsContact OD1-CA 3.3Å; D616-T618 WeakPolarHBondContact OD1-CA 3.48Å; D616-T618 WeakPolarHBondContact OD1-CB 3.46Å; D616-T618 PolarHBondContact OD1-N 3.4Å; D616-T618 PolarHBondContact OD1-OG1 2.88Å; D616-T618 PolarHBondContact OD2-OG1 3.26Å; D616-T618 VanDerWaalsContact OD2-OG1 3.14Å
619	G	90.1	Very high	88.1	Confident	44 Å²	44	84.9 Å²	84.9	45%	0.454	44%	0.438	S	S	.	.	S	Bend	trans	87	2	-178.5	0	0	0	0	0	114.5	D616 P617	D616-G619 PolarHBondContact O-N 3.24Å; D616-G619 PolarHBondContact OD1-N 3.43Å; P617-G619 VanDerWaalsContact C-N 3.34Å
620	K	92	Very high	85.5	Confident	150 Å²	150	93.6 Å²	93.6	65%	0.652	47%	0.465	S	S	*	.			trans	-76.1	137.4	175.4	-177.7	-174.7	177	-173.5	0	109.5	K615 D616 I622	K615-K620 CarbonylContact C-O 3.48Å; K615-K620 VanDerWaalsContact CA-O 3.22Å; K615-K620 WeakPolarHBondContact CA-O 3.32Å; D616-K620 PolarHBondContact N-O 3.06Å; D616-K620 PolarHBondContact OD1-N 3.46Å; D616-K620 WeakPolarHBondContact OD2-CB 3.47Å; K620-I622 PolarHBondContact O-N 3.24Å
621	V	93.4	Very high	85.3	Confident	48 Å²	48	98.1 Å²	98.1	29%	0.291	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	121.6	178.8	-172.4	0	0	0	0	109.3	R613 K615 R623 D624	R613-V621 HydrophobicContact CG-CG1 3.88Å; R613-V621 HydrophobicContact CG-CG2 4.47Å; K615-V621 HydrophobicContact CG-CG2 4.36Å; V621-R623 WeakPolarHBondContact CG1-O 3.41Å; V621-D624 HydrophobicContact CG1-CB 4.15Å
622	I	93.3	Very high	84.9	Confident	107 Å²	107	98.2 Å²	98.2	55%	0.549	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-35.2	175.8	-40.4	175.7	0	0	0	110.5	L614 D616 K620	L614-I622 PolarHBondContact O-N 3.26Å; D616-I622 HydrophobicContact CB-CD1 3.53Å; D616-I622 HydrophobicContact CB-CG1 3.73Å; K620-I622 PolarHBondContact O-N 3.24Å
623	R	92.3	Very high	84.4	Confident	127 Å²	127	102 Å²	102	48%	0.479	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.6	-177.7	-169.9	-174.7	-69.9	-171.1	2.1	110.7	R613 L614 V621 E625	R613-R623 CarbonylContact C-O 3.59Å; R613-R623 WeakPolarHBondContact CA-O 3.35Å; L614-R623 HydrophobicContact CB-CB 4.01Å; L614-R623 HydrophobicContact CD2-CB 4.49Å; L614-R623 PolarHBondContact N-O 3.25Å; L614-R623 PolarHBondContact O-N 3.46Å; V621-R623 WeakPolarHBondContact CG1-O 3.41Å; R623-E625 VanDerWaalsContact CD-OE1 3.24Å; R623-E625 WeakPolarHBondContact CD-OE1 3.32Å; R623-E625 HydrophobicContact CG-CG 3.92Å; R623-E625 WeakPolarHBondContact CG-OE1 3.32Å; R623-E625 IonicContact NE-OE1 3.21Å
624	D	93.2	Very high	83.8	Confident	66 Å²	66	103.5 Å²	103.5	35%	0.353	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	103.1	176.2	-159.5	-18.4	0	0	0	108.4	R611 L612 V621	R611-D624 IonicContact CZ-OD1 2.76Å; R611-D624 IonicContact CZ-OD2 3.81Å; R611-D624 IonicContact NE-OD1 2.62Å; R611-D624 PolarHBondContact NE-OD1 2.92Å; R611-D624 IonicContact NE-OD2 3.9Å; R611-D624 VanDerWaalsContact NH2-CG 3.34Å; R611-D624 IonicContact NH2-OD1 2.8Å; R611-D624 PolarHBondContact NH2-OD1 3.26Å; R611-D624 IonicContact NH2-OD2 3.93Å; R611-D624 PolarHBondContact NH2-OD2 2.95Å; L612-D624 CarbonylContact O-C 3.59Å; L612-D624 WeakPolarHBondContact O-CA 3.38Å; V621-D624 HydrophobicContact CG1-CB 4.15Å
625	E	91.3	Very high	83.1	Confident	76 Å²	76	107.9 Å²	107.9	36%	0.355	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.7	-172	-72.1	170.9	-168.4	0	0	110	R611 L612 R623 F627	R611-E625 CarbonylContact C-O 3.46Å; R611-E625 VanDerWaalsContact CA-O 3.29Å; R611-E625 WeakPolarHBondContact CA-O 3.44Å; L612-E625 PolarHBondContact N-O 3.49Å; L612-E625 PolarHBondContact O-N 3.45Å; R623-E625 VanDerWaalsContact CD-OE1 3.24Å; R623-E625 WeakPolarHBondContact CD-OE1 3.32Å; R623-E625 HydrophobicContact CG-CG 3.92Å; R623-E625 WeakPolarHBondContact CG-OE1 3.32Å; R623-E625 IonicContact NE-OE1 3.21Å; E625-F627 HydrophobicContact CB-CD2 4.47Å; E625-F627 HydrophobicContact CB-CE2 4.03Å; E625-F627 WeakPolarHBondContact OE2-CE2 3.29Å; E625-F627 WeakPolarHBondContact OE2-CZ 3.37Å
626	I	87.5	Confident	82.2	Confident	134 Å²	134	111.7 Å²	111.7	69%	0.687	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.5	108.6	174.4	-58.5	174.3	0	0	0	108	R611	R611-I626 HydrophobicContact CB-CG1 4.15Å; R611-I626 HydrophobicContact CG-CG1 4.06Å
627	F	71.8	Confident	81.4	Confident	100 Å²	100	117.2 Å²	117.2	44%	0.439	60%	0.595	S	S	.	*			trans	-88.9	112.2	172	-73.4	-86.1	0	0	0	109	G610 L612 E625 W629	G610-F627 CarbonylContact C-O 3.58Å; G610-F627 VanDerWaalsContact CA-O 3.27Å; G610-F627 WeakPolarHBondContact CA-O 3.06Å; G610-F627 WeakPolarHBondContact O-CB 3.32Å; G610-F627 PolarHBondContact O-N 2.94Å; L612-F627 HydrophobicContact CB-CD2 4.2Å; L612-F627 HydrophobicContact CB-CE2 4.32Å; L612-F627 HydrophobicContact CD2-CE2 4.02Å; E625-F627 HydrophobicContact CB-CD2 4.47Å; E625-F627 HydrophobicContact CB-CE2 4.03Å; E625-F627 WeakPolarHBondContact OE2-CE2 3.29Å; E625-F627 WeakPolarHBondContact OE2-CZ 3.37Å; F627-W629 PolarHBondContact O-N 3.4Å; F627-W629 VanDerWaalsContact O-N 3.11Å
628	A	59.2	Low	80.4	Confident	94 Å²	94	119.7 Å²	119.7	78%	0.777	60%	0.598	S	S	*	*			trans	-72	100.6	164.2	0	0	0	0	0	108	K630	A628-K630 PolarHBondContact O-N 2.9Å
629	W	54.8	Low	79.4	Confident	215 Å²	215	119.8 Å²	119.8	81%	0.814	59%	0.588	S	S	*	*			trans	-66.3	120.1	166.8	-63.2	78.4	0	0	0	106.9	F627	F627-W629 PolarHBondContact O-N 3.4Å; F627-W629 VanDerWaalsContact O-N 3.11Å
630	K	34.3	Very low	78.4	Confident	277 Å²	277	126.7 Å²	126.7	100%	1.204	60%	0.6	S	S	*	*			trans	-78.5	0	172.2	-86.7	-172.3	176.9	-179.3	0	111	A628	A628-K630 PolarHBondContact O-N 2.9Å

Retrieved 630 of 630 residues in 143.3 ms (Link to these results)

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