A0A5K4EGD6_SCHMA Loading...

Mitochondrial potassium channel ATP-binding subunit

AlphaFold DB , UniProt , Accession A0A5K4EGD6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 703 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23.5	Very low	27.4	Very low	206 Å²	206	155.4 Å²	155.4	100%	1.015	80%	0.799	S	S	*	*				0	-36	0	-123.5	173.3	-175.3	0	0	113.5
2	F	28.2	Very low	27.1	Very low	191 Å²	191	152.8 Å²	152.8	84%	0.838	80%	0.796	S	S	*	*			trans	-81.5	-21	175.5	-97.8	-88.5	0	0	0	115.7
3	S	28.7	Very low	27	Very low	94 Å²	94	151.5 Å²	151.5	66%	0.657	79%	0.791	S	S	*	*	S	Bend	trans	-81.8	-16.1	177.4	57.8	0	0	0	0	114.6
4	A	27.6	Very low	26.8	Very low	75 Å²	75	154 Å²	154	62%	0.62	79%	0.793	S	S	*	*	S	Bend	trans	-92.4	-16.8	-179.2	0	0	0	0	0	113.6
5	L	28.1	Very low	26.8	Very low	131 Å²	131	153.9 Å²	153.9	69%	0.686	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-13.7	179.1	-89	154.4	0	0	0	113.7	R7	L5-R7 VanDerWaalsContact C-N 3.35Å
6	C	29.9	Very low	26.7	Very low	123 Å²	123	151.4 Å²	151.4	83%	0.831	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-5.4	173.2	-83.9	0	0	0	0	114.5
7	R	31.1	Very low	26.6	Very low	230 Å²	230	152.4 Å²	152.4	87%	0.868	80%	0.8	S	S	*	*	S	Bend	trans	-110.5	-2.2	-177.4	-79.1	-167.5	-172.2	-157.7	3.1	116.5	L5	L5-R7 VanDerWaalsContact C-N 3.35Å
8	R	25.6	Very low	26.6	Very low	232 Å²	232	155.6 Å²	155.6	88%	0.875	81%	0.807	S	S	*	*	S	Bend	trans	-149.9	112.5	175.7	-76	-173.3	174	167.9	-3.3	111.5
9	G	25.3	Very low	26.5	Very low	66 Å²	66	159.9 Å²	159.9	68%	0.68	81%	0.812	S	S	*	*			trans	147.1	73.2	169.9	0	0	0	0	0	113.2
10	F	25.2	Very low	26.5	Very low	197 Å²	197	156.4 Å²	156.4	86%	0.864	80%	0.802	S	S	*	*				81.1	94.7	105.1	-100.1	-94.6	0	0	0	114.7
11	L	28.1	Very low	26.4	Very low	164 Å²	164	155.4 Å²	155.4	86%	0.859	80%	0.804	S	S	*	*				-169	58.3	127.9	-100.1	158.7	0	0	0	109.9	N13	L11-N13 PolarHBondContact O-N 2.83Å
12	T	24.3	Very low	26.6	Very low	124 Å²	124	156 Å²	156	76%	0.761	80%	0.796	S	S	*	*			trans	-82.7	91.1	147	37.4	0	0	0	0	106.8
13	N	25.1	Very low	26.3	Very low	137 Å²	137	156.3 Å²	156.3	73%	0.733	80%	0.797	S	S	*	*			trans	168	133.5	146.6	-91	-36.4	0	0	0	109.8	L11	L11-N13 PolarHBondContact O-N 2.83Å
14	K	24.8	Very low	26	Very low	186 Å²	186	157.8 Å²	157.8	81%	0.809	81%	0.806	S	S	*	*	S	Bend	trans	89.9	68	178.7	-56.9	-177.3	174	-177	0	116.4
15	V	26.6	Very low	25.7	Very low	153 Å²	153	161 Å²	161	93%	0.927	81%	0.813	S	S	*	*	S	Bend		-152.1	61.4	118.8	-167.1	0	0	0	0	108.5
16	S	25.3	Very low	25.4	Very low	114 Å²	114	163 Å²	163	80%	0.797	82%	0.819	S	S	*	*	S	Bend	trans	-128.4	54	160.3	55.1	0	0	0	0	107.9
17	Q	24.6	Very low	25.2	Very low	168 Å²	168	168 Å²	168	79%	0.785	82%	0.821	S	S	*	*			trans	-150.9	55.4	175.9	-143.1	177.4	18	0	0	110.9
18	F	26.4	Very low	24.7	Very low	209 Å²	209	164.1 Å²	164.1	92%	0.917	82%	0.818	S	S	*	*			trans	-152.3	62.4	152.6	-99.9	-76.9	0	0	0	108.2
19	R	24.4	Very low	24.7	Very low	238 Å²	238	160.6 Å²	160.6	90%	0.898	82%	0.816	S	S	*	*	S	Bend	trans	-94.6	109.7	154.2	-104.5	-175.9	176.4	172.9	-1.4	106.8
20	S	26.9	Very low	24.5	Very low	90 Å²	90	166.5 Å²	166.5	63%	0.629	82%	0.823	S	S	*	*			trans	34.6	99	148	60.9	0	0	0	0	116.8	Y22	S20-Y22 PolarHBondContact O-N 3.05Å; S20-Y22 VanDerWaalsContact O-N 3.1Å
21	T	25	Very low	24.5	Very low	135 Å²	135	163.3 Å²	163.3	83%	0.828	82%	0.819	S	S	*	*			trans	-76	79	149.6	-41	0	0	0	0	108
22	Y	26.7	Very low	24.3	Very low	219 Å²	219	163.8 Å²	163.8	86%	0.859	82%	0.817	S	S	*	*			trans	-115.4	109.2	154.6	-85.4	-80.5	0	0	0	107	S20 C24	S20-Y22 PolarHBondContact O-N 3.05Å; S20-Y22 VanDerWaalsContact O-N 3.1Å; Y22-C24 PolarHBondContact O-N 3.12Å
23	K	21.6	Very low	24.3	Very low	197 Å²	197	166 Å²	166	86%	0.857	82%	0.822	S	S	*	*			trans	-55.1	128	167.4	-75.9	172.9	171.1	177.8	0	108.5
24	C	23.3	Very low	24.3	Very low	126 Å²	126	168 Å²	168	85%	0.851	83%	0.825	S	S	*	*			trans	-155.1	145.7	138.7	-101.3	0	0	0	0	109.6	Y22	Y22-C24 PolarHBondContact O-N 3.12Å
25	D	21.1	Very low	24.3	Very low	141 Å²	141	165 Å²	165	75%	0.754	82%	0.824	S	S	*	*			trans	-72.8	171	-154.5	-67.7	-67.7	0	0	0	117.5
26	H	22.9	Very low	24.1	Very low	175 Å²	175	165.6 Å²	165.6	81%	0.81	82%	0.821	S	S	*	*			trans	74.5	99.5	161.8	-68.3	-72.1	0	0	0	117.2
27	Y	25.6	Very low	23.9	Very low	226 Å²	226	170 Å²	170	89%	0.886	83%	0.826	S	S	*	*				-170.2	120.2	114	-108.1	-82.3	0	0	0	109.9	L29	Y27-L29 PolarHBondContact O-N 3.14Å
28	N	20.4	Very low	23.9	Very low	149 Å²	149	168 Å²	168	80%	0.797	83%	0.829	S	S	*	*			trans	-62.2	119	171.3	-91	-47.2	0	0	0	110.4
29	L	25.7	Very low	23.9	Very low	159 Å²	159	162.8 Å²	162.8	83%	0.832	82%	0.819	S	S	*	*			trans	-133.3	104.2	148.8	-115.3	104.1	0	0	0	109.6	Y27	Y27-L29 PolarHBondContact O-N 3.14Å
30	K	19.9	Very low	23.9	Very low	190 Å²	190	156.8 Å²	156.8	83%	0.826	81%	0.813	S	S	*	*			trans	-65.9	120.2	165.1	-71.3	173.8	173.9	176.4	0	108.8
31	T	26	Very low	23.8	Very low	129 Å²	129	157.6 Å²	157.6	79%	0.791	82%	0.818	S	S	*	*			trans	-146.6	128.2	146	38.4	0	0	0	0	110.7
32	H	23.3	Very low	24	Very low	175 Å²	175	159.2 Å²	159.2	81%	0.81	82%	0.821	S	S	*	*			trans	-65.8	124.7	-177.8	-78.8	-100.9	0	0	0	112.7
33	I	25.4	Very low	23.9	Very low	170 Å²	170	160.2 Å²	160.2	87%	0.872	82%	0.824	S	S	*	*			trans	-135.7	110.7	147.1	-58.7	-178.5	0	0	0	108.1
34	K	23.7	Very low	24.2	Very low	180 Å²	180	158 Å²	158	78%	0.783	82%	0.82	S	S	*	*			trans	-68.3	149.8	176.3	-86.6	177.9	174	176.1	0	111.1
35	P	25	Very low	24.4	Very low	122 Å²	122	158.5 Å²	158.5	79%	0.792	82%	0.82	S	S	*	*			trans	-81.4	129.9	-173.2	31.7	-32.9	0	0	0	112.5	K37	P35-K37 PolarHBondContact O-N 3.28Å
36	L	23.7	Very low	24.7	Very low	165 Å²	165	158.9 Å²	158.9	86%	0.864	83%	0.826	S	S	*	*			trans	-73.1	113.8	164.5	-91.2	97.5	0	0	0	109.7	C38	L36-C38 PolarHBondContact O-N 3.1Å
37	K	20.9	Very low	24.9	Very low	207 Å²	207	153.3 Å²	153.3	90%	0.9	82%	0.816	S	S	*	*			trans	-68.5	116	156.6	-78.7	176.7	173.5	178.5	0	107.9	P35	P35-K37 PolarHBondContact O-N 3.28Å
38	C	25.1	Very low	25.2	Very low	125 Å²	125	150 Å²	150	85%	0.845	82%	0.82	S	S	*	*			trans	-115.1	125.9	162.4	-114.2	0	0	0	0	109.8	L36	L36-C38 PolarHBondContact O-N 3.1Å
39	S	24.5	Very low	25.5	Very low	101 Å²	101	146.1 Å²	146.1	71%	0.706	82%	0.815	S	S	*	*			trans	-60.5	147.4	-170.8	175.1	0	0	0	0	114	S41	S39-S41 PolarHBondContact O-N 3.21Å
40	S	25.5	Very low	25.6	Very low	112 Å²	112	144.7 Å²	144.7	78%	0.783	81%	0.808	S	S	*	*	S	Bend	trans	-48.2	110.5	160.7	47.5	0	0	0	0	113.2
41	S	25.5	Very low	26	Very low	106 Å²	106	145.3 Å²	145.3	74%	0.741	81%	0.811	S	S	*	*			trans	-178.1	57.5	154.1	51.9	0	0	0	0	112.8	S39	S39-S41 PolarHBondContact O-N 3.21Å
42	L	28.4	Very low	26.2	Very low	169 Å²	169	147.2 Å²	147.2	89%	0.885	81%	0.814	S	S	*	*			trans	-100	90	158.3	-117.6	86.3	0	0	0	108.9	L44	L42-L44 PolarHBondContact O-N 2.99Å; L42-L44 VanDerWaalsContact O-N 3.1Å
43	R	24.1	Very low	26.5	Very low	241 Å²	241	142.9 Å²	142.9	91%	0.909	81%	0.808	S	S	*	*			trans	-62.2	106.5	163.3	-79.4	-179.4	179	178.2	-0.3	107.2	T45	R43-T45 PolarHBondContact O-N 2.85Å
44	L	27.6	Very low	26.6	Very low	150 Å²	150	141.2 Å²	141.2	79%	0.785	80%	0.801	S	S	*	*			trans	-58.2	106.9	169.1	-113.7	84.6	0	0	0	108.4	L42 V46	L42-L44 PolarHBondContact O-N 2.99Å; L42-L44 VanDerWaalsContact O-N 3.1Å; L44-V46 PolarHBondContact O-N 2.66Å
45	T	28.4	Very low	26.8	Very low	137 Å²	137	141.7 Å²	141.7	84%	0.84	81%	0.806	S	S	*	*			trans	-72.1	113.9	163.8	26.5	0	0	0	0	108.6	R43 G47	R43-T45 PolarHBondContact O-N 2.85Å; T45-G47 PolarHBondContact O-N 3Å; T45-G47 VanDerWaalsContact O-N 3.14Å
46	V	26.5	Very low	26.9	Very low	148 Å²	148	140.5 Å²	140.5	90%	0.897	80%	0.8	S	S	*	*			trans	-61.5	105.7	176.7	178	0	0	0	0	109.1	L44	L44-V46 PolarHBondContact O-N 2.66Å
47	G	27.9	Very low	27	Very low	58 Å²	58	143 Å²	143	60%	0.598	80%	0.804	S	S	*	*			trans	-133.5	85.4	173	0	0	0	0	0	109.8	T45 G49	T45-G47 PolarHBondContact O-N 3Å; T45-G47 VanDerWaalsContact O-N 3.14Å; G47-G49 PolarHBondContact O-N 3.38Å
48	T	31.7	Very low	27.4	Very low	158 Å²	158	139.8 Å²	139.8	97%	0.969	80%	0.795	S	S	*	*	S	Bend	trans	23.9	34.8	153.5	49.3	0	0	0	0	120.9
49	G	27.1	Very low	27.6	Very low	67 Å²	67	137.6 Å²	137.6	69%	0.691	78%	0.781	S	S	*	*			trans	-122.9	-3.4	178.6	0	0	0	0	0	115.3	G47	G47-G49 PolarHBondContact O-N 3.38Å
50	L	28.7	Very low	28	Very low	128 Å²	128	138.9 Å²	138.9	67%	0.67	79%	0.787	S	S	*	*			trans	-106.3	21.6	-169.9	-150.6	75.9	0	0	0	115.1
51	F	28.1	Very low	28.2	Very low	204 Å²	204	142 Å²	142	90%	0.895	79%	0.789	S	S	*	*	S	Bend	trans	-103	8.3	-179.9	-127.7	-88	0	0	0	115.6
52	I	29.3	Very low	28.4	Very low	169 Å²	169	141.6 Å²	141.6	87%	0.867	79%	0.786	S	S	*	*	S	Bend	trans	-120.4	-5	175.7	-60.6	179.8	0	0	0	113.1
53	A	29.4	Very low	28.4	Very low	83 Å²	83	144.7 Å²	144.7	69%	0.686	79%	0.786	S	S	*	*	S	Bend	trans	-97.5	6	-173.9	0	0	0	0	0	116.4
54	L	27	Very low	28.8	Very low	136 Å²	136	140.7 Å²	140.7	71%	0.712	78%	0.781	S	S	*	*	S	Bend	trans	-116.5	7.1	-168.2	-94.3	160.4	0	0	0	117.9
55	H	27.8	Very low	28.8	Very low	190 Å²	190	141 Å²	141	88%	0.88	78%	0.779	S	S	*	*	S	Bend	trans	-141.8	78	172.5	-96	-75.6	0	0	0	113.3
56	S	27.8	Very low	28.7	Very low	96 Å²	96	140.2 Å²	140.2	67%	0.671	77%	0.774	S	S	*	*			trans	-159.5	73.4	147.7	57.7	0	0	0	0	110.8	I58	S56-I58 PolarHBondContact O-N 3.12Å
57	K	26.8	Very low	28.8	Very low	219 Å²	219	138.6 Å²	138.6	95%	0.952	76%	0.764	S	S	*	*			trans	-64.8	88.1	152.2	-87.2	-178	174.9	179.2	0	106.9	S59	K57-S59 PolarHBondContact O-N 3.46Å
58	I	28.2	Very low	28.5	Very low	138 Å²	138	144 Å²	144	71%	0.708	77%	0.774	S	S	*	*			trans	-86.4	101.3	169.8	-65.1	163.7	0	0	0	105.9	S56	S56-I58 PolarHBondContact O-N 3.12Å
59	S	29.7	Very low	28.4	Very low	79 Å²	79	141.1 Å²	141.1	55%	0.552	76%	0.759	S	S	*	*			trans	-58.5	140	163.2	176.6	0	0	0	0	109.2	K57 E61	K57-S59 PolarHBondContact O-N 3.46Å; S59-E61 PolarHBondContact O-N 3.45Å
60	P	33.4	Very low	28.5	Very low	128 Å²	128	146.3 Å²	146.3	83%	0.831	77%	0.765	S	S	*	*	S	Bend	trans	-75.9	19.8	-178.6	31.1	-33.4	0	0	0	114.9
61	E	28.3	Very low	28.9	Very low	178 Å²	178	143.7 Å²	143.7	83%	0.832	75%	0.754	S	S	*	*			trans	-115.7	57.4	174.4	-69.8	-174.9	172.8	0	0	111.7	S59	S59-E61 PolarHBondContact O-N 3.45Å
62	S	29.8	Very low	29.3	Very low	97 Å²	97	138.2 Å²	138.2	68%	0.678	73%	0.734	S	S	*	*			trans	-103.7	99.2	164.4	64.8	0	0	0	0	109.4	I64	S62-I64 PolarHBondContact O-N 3.48Å
63	R	28.1	Very low	29.9	Very low	235 Å²	235	134 Å²	134	89%	0.887	72%	0.72	S	S	*	*			trans	-22.1	127.3	164.6	-66.6	173.8	-177.3	-172.9	-1.6	112.1	Q65	R63-Q65 PolarHBondContact O-N 3.28Å
64	I	34	Very low	30.5	Very low	156 Å²	156	134.4 Å²	134.4	80%	0.8	70%	0.704	S	S	*	*			trans	-60	89.5	153.9	-59.8	169.8	0	0	0	105.1	S62 T66	S62-I64 PolarHBondContact O-N 3.48Å; I64-T66 PolarHBondContact O-N 3.49Å
65	Q	26.8	Very low	31.4	Very low	158 Å²	158	130 Å²	130	74%	0.738	68%	0.68	S	S	*	*			trans	-56.8	121.9	146.9	-79.3	-179	-15.6	0	0	103.5	R63 V67	R63-Q65 PolarHBondContact O-N 3.28Å; Q65-V67 PolarHBondContact O-N 3.04Å
66	T	26.3	Very low	32.4	Very low	119 Å²	119	121.7 Å²	121.7	73%	0.73	64%	0.643	S	S	*	*			trans	-47.8	93.2	153.6	29.5	0	0	0	0	105.5	I64 Q68	I64-T66 PolarHBondContact O-N 3.49Å; T66-Q68 PolarHBondContact O-N 2.9Å
67	V	27.9	Very low	33.4	Very low	114 Å²	114	120.2 Å²	120.2	69%	0.691	63%	0.627	S	S	*	*			trans	-64.5	91.2	161.4	179.9	0	0	0	0	101.3	Q65 C69	Q65-V67 PolarHBondContact O-N 3.04Å; V67-C69 PolarHBondContact O-N 3.23Å
68	Q	22.6	Very low	34.5	Very low	172 Å²	172	110 Å²	110	80%	0.804	58%	0.583	S	S	*	*			trans	-51.7	96.8	147.8	-95.8	157.7	-55.4	0	0	102.6	T66 E70	T66-Q68 PolarHBondContact O-N 2.9Å; Q68-E70 PolarHBondContact O-N 3.05Å
69	C	29.2	Very low	35.8	Very low	98 Å²	98	103.9 Å²	103.9	66%	0.662	55%	0.552	S	S	*	*			trans	-57.6	87.7	154.7	-68.5	0	0	0	0	102.6	V67 V71	V67-C69 PolarHBondContact O-N 3.23Å; C69-V71 PolarHBondContact O-N 2.93Å
70	E	28.4	Very low	36.8	Very low	176 Å²	176	103 Å²	103	82%	0.822	54%	0.543	S	S	*	.			trans	-44.4	101.6	137.7	-96.4	178.3	150.6	0	0	102.5	Q68 D72	Q68-E70 PolarHBondContact O-N 3.05Å; E70-D72 PolarHBondContact O-N 3.46Å
71	V	38	Very low	37.6	Very low	73 Å²	73	101.1 Å²	101.1	44%	0.442	52%	0.522	S	S	.	.			trans	-57.4	100.4	173.6	174.8	0	0	0	0	101.4	C69 S73 T76	C69-V71 PolarHBondContact O-N 2.93Å; V71-S73 VanDerWaalsContact C-N 3.27Å; V71-S73 PolarHBondContact O-N 3.49Å; V71-T76 VanDerWaalsContact CG1-OG1 3.27Å; V71-T76 WeakPolarHBondContact CG1-OG1 3.43Å
72	D	37	Very low	38.8	Very low	88 Å²	88	92.8 Å²	92.8	47%	0.471	48%	0.484	S	S	.	.			trans	-44.6	106.5	172	-86.7	-30.4	0	0	0	103.8	E70 Y74 Q75	E70-D72 PolarHBondContact O-N 3.46Å; D72-Y74 CarbonylContact O-C 3.47Å; D72-Y74 PolarHBondContact O-N 3.18Å; D72-Q75 HydrophobicContact CB-CB 4.28Å; D72-Q75 HydrophobicContact CB-CG 3.88Å; D72-Q75 PolarHBondContact O-N 3.39Å; D72-Q75 PolarHBondContact OD2-NE2 3.04Å
73	S	40.7	Very low	40	Very low	82 Å²	82	93.4 Å²	93.4	57%	0.573	47%	0.474	S	S	*	.	H	α-helix	trans	-49.6	-34.3	177.8	45.8	0	0	0	0	108.9	V71 Q75 T76 D77	V71-S73 VanDerWaalsContact C-N 3.27Å; V71-S73 PolarHBondContact O-N 3.49Å; S73-Q75 PolarHBondContact O-N 3.04Å; S73-T76 PolarHBondContact O-N 3.21Å; S73-D77 PolarHBondContact O-N 3.27Å
74	Y	43.1	Very low	41.4	Very low	90 Å²	90	86.2 Å²	86.2	35%	0.353	46%	0.46	S	S	.	.	H	α-helix	trans	-48.6	-47.5	168	-159.3	-103.4	0	0	0	115.8	D72 Q78 P97	D72-Y74 CarbonylContact O-C 3.47Å; D72-Y74 PolarHBondContact O-N 3.18Å; Y74-Q78 HydrophobicContact CE1-CG 4.3Å; Y74-Q78 VanDerWaalsContact CZ-NE2 3.32Å; Y74-Q78 WeakPolarHBondContact O-CG 3.17Å; Y74-Q78 PolarHBondContact O-N 3.43Å; Y74-Q78 PolarHBondContact OH-NE2 3.33Å; Y74-Q78 VanDerWaalsContact OH-NE2 3.09Å; Y74-P97 HydrophobicContact CE1-CG 3.79Å; Y74-P97 WeakPolarHBondContact OH-CD 3.13Å; Y74-P97 WeakPolarHBondContact OH-CG 3.33Å
75	Q	46	Very low	42.8	Very low	44 Å²	44	79.8 Å²	79.8	21%	0.206	43%	0.432	C	S	.	.	H	α-helix	trans	-69.9	-36.7	-178.9	-71.9	-178.6	23.9	0	0	112.5	D72 S73 Q78 I79	D72-Q75 HydrophobicContact CB-CB 4.28Å; D72-Q75 HydrophobicContact CB-CG 3.88Å; D72-Q75 PolarHBondContact O-N 3.39Å; D72-Q75 PolarHBondContact OD2-NE2 3.04Å; S73-Q75 PolarHBondContact O-N 3.04Å; Q75-Q78 PolarHBondContact O-N 3.27Å; Q75-I79 PolarHBondContact O-N 3.05Å
76	T	48.7	Very low	45.4	Very low	16 Å²	16	73.7 Å²	73.7	10%	0.098	41%	0.412	C	S	.	.	H	α-helix	trans	-68.2	-41.4	177.9	-52.1	0	0	0	0	110.2	V71 S73 Q78 I79 T80 R186	V71-T76 VanDerWaalsContact CG1-OG1 3.27Å; V71-T76 WeakPolarHBondContact CG1-OG1 3.43Å; S73-T76 PolarHBondContact O-N 3.21Å; T76-Q78 PolarHBondContact O-N 2.97Å; T76-I79 PolarHBondContact O-N 3.38Å; T76-T80 PolarHBondContact O-N 3.29Å; T76-T80 PolarHBondContact O-OG1 2.7Å; T76-T80 VanDerWaalsContact O-OG1 3.08Å; T76-R186 PolarHBondContact OG1-NH2 3.4Å
77	D	49.4	Very low	48.1	Very low	64 Å²	64	69.4 Å²	69.4	34%	0.342	38%	0.384	S	S	.	.	H	α-helix	trans	-54.8	-49.4	172.8	-80.2	-16.7	0	0	0	111.6	S73 I79 T80 F81	S73-D77 PolarHBondContact O-N 3.27Å; D77-I79 VanDerWaalsContact C-N 3.29Å; D77-I79 PolarHBondContact O-N 3.46Å; D77-T80 PolarHBondContact O-N 3.44Å; D77-T80 VanDerWaalsContact O-N 3.12Å; D77-F81 VanDerWaalsContact C-CD2 3.47Å; D77-F81 HydrophobicContact CB-CD2 4.06Å; D77-F81 HydrophobicContact CB-CE2 3.88Å; D77-F81 WeakPolarHBondContact O-CD2 3.5Å; D77-F81 PolarHBondContact O-N 2.9Å
78	Q	50	Low	50.8	Low	5 Å²	5	68.9 Å²	68.9	2%	0.023	38%	0.383	C	S	.	.	H	α-helix	trans	-60.5	-35.2	-177.4	-63.2	-157.9	-17.7	0	0	113.5	Y74 Q75 T76 F81 A82 V93	Y74-Q78 HydrophobicContact CE1-CG 4.3Å; Y74-Q78 VanDerWaalsContact CZ-NE2 3.32Å; Y74-Q78 WeakPolarHBondContact O-CG 3.17Å; Y74-Q78 PolarHBondContact O-N 3.43Å; Y74-Q78 PolarHBondContact OH-NE2 3.33Å; Y74-Q78 VanDerWaalsContact OH-NE2 3.09Å; Q75-Q78 PolarHBondContact O-N 3.27Å; T76-Q78 PolarHBondContact O-N 2.97Å; Q78-F81 PolarHBondContact O-N 3.02Å; Q78-A82 PolarHBondContact O-N 2.56Å; Q78-V93 HydrophobicContact CB-CG1 3.99Å; Q78-V93 VanDerWaalsContact CD-CG1 3.5Å; Q78-V93 HydrophobicContact CG-CG1 3.42Å; Q78-V93 VanDerWaalsContact CG-CG1 3.42Å; Q78-V93 PolarHBondContact NE2-O 2.96Å
79	I	53.7	Low	53.6	Low	9 Å²	9	66.6 Å²	66.6	5%	0.046	37%	0.367	C	S	.	.	H	α-helix	trans	-69	-42.6	177.2	-62.9	168.4	0	0	0	110.2	Q75 T76 D77 F81 A82 Q183	Q75-I79 PolarHBondContact O-N 3.05Å; T76-I79 PolarHBondContact O-N 3.38Å; D77-I79 VanDerWaalsContact C-N 3.29Å; D77-I79 PolarHBondContact O-N 3.46Å; I79-F81 VanDerWaalsContact C-N 3.32Å; I79-F81 PolarHBondContact O-N 3.45Å; I79-A82 PolarHBondContact O-N 2.82Å; I79-Q183 HydrophobicContact CG1-CG 4.42Å
80	T	51.8	Low	56.3	Low	61 Å²	61	62.1 Å²	62.1	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-63.8	-39.5	175.8	-45.2	0	0	0	0	111	T76 D77 K83	T76-T80 PolarHBondContact O-N 3.29Å; T76-T80 PolarHBondContact O-OG1 2.7Å; T76-T80 VanDerWaalsContact O-OG1 3.08Å; D77-T80 PolarHBondContact O-N 3.44Å; D77-T80 VanDerWaalsContact O-N 3.12Å; T80-K83 PolarHBondContact O-N 3.28Å
81	F	50.5	Low	59.1	Low	89 Å²	89	56 Å²	56	39%	0.39	31%	0.308	S	S	.	.	H	α-helix	trans	-68.2	-32.6	177.7	-77.4	-64.1	0	0	0	114	D77 Q78 I79 K83 S84 G85 V93	D77-F81 VanDerWaalsContact C-CD2 3.47Å; D77-F81 HydrophobicContact CB-CD2 4.06Å; D77-F81 HydrophobicContact CB-CE2 3.88Å; D77-F81 WeakPolarHBondContact O-CD2 3.5Å; D77-F81 PolarHBondContact O-N 2.9Å; Q78-F81 PolarHBondContact O-N 3.02Å; I79-F81 VanDerWaalsContact C-N 3.32Å; I79-F81 PolarHBondContact O-N 3.45Å; F81-K83 PolarHBondContact O-N 3.34Å; F81-S84 PolarHBondContact O-N 2.9Å; F81-G85 PolarHBondContact O-N 3.44Å; F81-V93 HydrophobicContact CB-CG2 4.45Å
82	A	52.2	Low	61.4	Low	3 Å²	3	54.4 Å²	54.4	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-32.7	176	0	0	0	0	0	112.4	Q78 I79 Y90 H399 L402	Q78-A82 PolarHBondContact O-N 2.56Å; I79-A82 PolarHBondContact O-N 2.82Å; A82-Y90 HydrophobicContact CB-CD2 4.04Å; A82-Y90 HydrophobicContact CB-CE2 4.49Å; A82-H399 PolarHBondContact O-CE1 3.1Å; A82-L402 HydrophobicContact CB-CB 4.35Å
83	K	56.4	Low	63.7	Low	110 Å²	110	51.4 Å²	51.4	48%	0.478	29%	0.292	S	S	.	.	H	α-helix	trans	-67.6	-36.7	179	-67.7	-176.8	179	175.8	0	113.6	T80 F81	T80-K83 PolarHBondContact O-N 3.28Å; F81-K83 PolarHBondContact O-N 3.34Å
84	S	56.3	Low	65.9	Low	84 Å²	84	47.5 Å²	47.5	59%	0.587	27%	0.265	S	S	*	.	H	α-helix	trans	-95.2	-17.5	-170.4	169.5	0	0	0	0	113.9	F81	F81-S84 PolarHBondContact O-N 2.9Å
85	G	63.5	Low	68	Low	20 Å²	20	44.2 Å²	44.2	21%	0.206	25%	0.253	C	S	.	.	H	α-helix	trans	-104.3	-11.8	-160.9	0	0	0	0	0	118.7	F81 R89	F81-G85 PolarHBondContact O-N 3.44Å; G85-R89 WeakPolarHBondContact O-CB 3.4Å
86	G	80.9	Confident	70	Confident	31 Å²	31	47.2 Å²	47.2	32%	0.32	27%	0.27	S	S	.	.	H	α-helix	trans	58.7	-175.8	-164.5	0	0	0	0	0	113.3	Y90	G86-Y90 PolarHBondContact O-N 3.23Å
87	I	84.8	Confident	72	Confident	29 Å²	29	49.2 Å²	49.2	15%	0.149	28%	0.283	C	S	.	.	H	α-helix	trans	-59.2	-45.7	-175.6	-62.6	175.1	0	0	0	113.3	R89 Y90 I91 Y392 L395 K396 H399	I87-R89 PolarHBondContact O-N 2.86Å; I87-Y90 PolarHBondContact O-N 2.94Å; I87-I91 HydrophobicContact CG2-CD1 4.07Å; I87-I91 WeakPolarHBondContact O-CG1 3.46Å; I87-I91 PolarHBondContact O-N 3.45Å; I87-I91 VanDerWaalsContact O-N 3.11Å; I87-Y392 HydrophobicContact CD1-CE2 4.14Å; I87-L395 HydrophobicContact CG2-CD2 3.33Å; I87-L395 HydrophobicContact CG2-CG 3.98Å; I87-K396 HydrophobicContact CD1-CB 4.46Å; I87-H399 HydrophobicContact CG1-CB 4.21Å
88	P	84.1	Confident	73.9	Confident	102 Å²	102	46.3 Å²	46.3	66%	0.662	27%	0.267	S	S	*	.	H	α-helix	trans	-62.6	-41.1	-176.5	-24	34.9	0	0	0	113.4	I91 G92	P88-I91 PolarHBondContact O-N 3.05Å; P88-G92 PolarHBondContact O-N 2.8Å; P88-G92 VanDerWaalsContact O-N 3.1Å
89	R	81.9	Confident	75.9	Confident	125 Å²	125	48.7 Å²	48.7	47%	0.472	28%	0.284	S	S	.	.	H	α-helix	trans	-69.8	-36	179.6	-164.3	178.3	-171.9	167.4	-4	111.4	G85 I87 G92 V93	G85-R89 WeakPolarHBondContact O-CB 3.4Å; I87-R89 PolarHBondContact O-N 2.86Å; R89-G92 PolarHBondContact O-N 2.98Å; R89-V93 WeakPolarHBondContact O-CG2 3.26Å; R89-V93 PolarHBondContact O-N 2.92Å
90	Y	85.7	Confident	77.7	Confident	3 Å²	3	54.1 Å²	54.1	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-46.2	174.1	179.2	-111.7	0	0	0	111.7	A82 G86 I87 G92 V93 L94 M180 Q183 L395 L402	A82-Y90 HydrophobicContact CB-CD2 4.04Å; A82-Y90 HydrophobicContact CB-CE2 4.49Å; G86-Y90 PolarHBondContact O-N 3.23Å; I87-Y90 PolarHBondContact O-N 2.94Å; Y90-G92 VanDerWaalsContact C-N 3.29Å; Y90-G92 PolarHBondContact O-N 3.09Å; Y90-V93 PolarHBondContact O-N 3.03Å; Y90-L94 HydrophobicContact CE1-CD2 4.13Å; Y90-L94 VanDerWaalsContact O-CB 3.24Å; Y90-L94 WeakPolarHBondContact O-CB 3.29Å; Y90-L94 PolarHBondContact O-N 3.44Å; Y90-M180 WeakPolarHBondContact OH-CG 3.48Å; Y90-Q183 PolarHBondContact OH-OE1 3.15Å; Y90-L395 HydrophobicContact CD1-CD1 4.17Å; Y90-L395 HydrophobicContact CE1-CD1 4.19Å; Y90-L402 HydrophobicContact CE1-CD1 4.18Å; Y90-L402 HydrophobicContact CE2-CD1 3.73Å; Y90-L402 VanDerWaalsContact CZ-CD1 3.49Å; Y90-L402 WeakPolarHBondContact OH-CD1 3.42Å
91	I	86.7	Confident	79.6	Confident	47 Å²	47	56.1 Å²	56.1	24%	0.241	32%	0.319	C	S	.	.	H	α-helix	trans	-57.9	-44	174.6	-63.9	169.3	0	0	0	110.6	I87 P88 L94 I95 F215 L395	I87-I91 HydrophobicContact CG2-CD1 4.07Å; I87-I91 WeakPolarHBondContact O-CG1 3.46Å; I87-I91 PolarHBondContact O-N 3.45Å; I87-I91 VanDerWaalsContact O-N 3.11Å; P88-I91 PolarHBondContact O-N 3.05Å; I91-L94 WeakPolarHBondContact O-CB 3.34Å; I91-L94 PolarHBondContact O-N 3.26Å; I91-I95 HydrophobicContact CG2-CD1 3.5Å; I91-I95 VanDerWaalsContact CG2-CD1 3.5Å; I91-I95 HydrophobicContact CG2-CG1 4.37Å; I91-I95 WeakPolarHBondContact O-CB 3.31Å; I91-I95 VanDerWaalsContact O-CG1 3.27Å; I91-I95 WeakPolarHBondContact O-CG1 3.47Å; I91-I95 PolarHBondContact O-N 3.04Å; I91-F215 HydrophobicContact CG1-CZ 4.39Å; I91-L395 HydrophobicContact CD1-CD2 3.59Å; I91-L395 HydrophobicContact CG1-CD2 3.78Å
92	G	86.1	Confident	81.7	Confident	40 Å²	40	52.8 Å²	52.8	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-59.3	-47.9	178.5	0	0	0	0	0	113.1	P88 R89 Y90 L94 I95 L96	P88-G92 PolarHBondContact O-N 2.8Å; P88-G92 VanDerWaalsContact O-N 3.1Å; R89-G92 PolarHBondContact O-N 2.98Å; Y90-G92 VanDerWaalsContact C-N 3.29Å; Y90-G92 PolarHBondContact O-N 3.09Å; G92-L94 VanDerWaalsContact C-N 3.3Å; G92-L94 PolarHBondContact O-N 2.93Å; G92-I95 PolarHBondContact O-N 3.36Å; G92-L96 WeakPolarHBondContact O-CB 3.28Å; G92-L96 PolarHBondContact O-N 3.48Å
93	V	84.8	Confident	83.6	Confident	26 Å²	26	59.2 Å²	59.2	16%	0.158	33%	0.332	C	S	.	.	H	α-helix	trans	-64	-37.9	177.7	170.5	0	0	0	0	111.6	Q78 F81 R89 Y90 I95 L96	Q78-V93 HydrophobicContact CB-CG1 3.99Å; Q78-V93 VanDerWaalsContact CD-CG1 3.5Å; Q78-V93 HydrophobicContact CG-CG1 3.42Å; Q78-V93 VanDerWaalsContact CG-CG1 3.42Å; Q78-V93 PolarHBondContact NE2-O 2.96Å; F81-V93 HydrophobicContact CB-CG2 4.45Å; R89-V93 WeakPolarHBondContact O-CG2 3.26Å; R89-V93 PolarHBondContact O-N 2.92Å; Y90-V93 PolarHBondContact O-N 3.03Å; V93-I95 VanDerWaalsContact C-N 3.31Å; V93-I95 PolarHBondContact O-N 3.03Å; V93-L96 PolarHBondContact O-N 3.49Å
94	L	86.8	Confident	85.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.7	-34.2	179.9	-174.1	61.9	0	0	0	112.3	Y90 I91 G92 M176 R179 M180 F215	Y90-L94 HydrophobicContact CE1-CD2 4.13Å; Y90-L94 VanDerWaalsContact O-CB 3.24Å; Y90-L94 WeakPolarHBondContact O-CB 3.29Å; Y90-L94 PolarHBondContact O-N 3.44Å; I91-L94 WeakPolarHBondContact O-CB 3.34Å; I91-L94 PolarHBondContact O-N 3.26Å; G92-L94 VanDerWaalsContact C-N 3.3Å; G92-L94 PolarHBondContact O-N 2.93Å; L94-M176 HydrophobicContact CD1-CG 3.95Å; L94-M176 HydrophobicContact CD2-CG 3.37Å; L94-M176 HydrophobicContact CD2-SD 3.47Å; L94-M176 WeakPolarHBondContact CD2-SD 3.33Å; L94-M176 HydrophobicContact CG-CB 4.39Å; L94-M176 HydrophobicContact CG-CG 3.5Å; L94-M176 HydrophobicContact CG-SD 3.89Å; L94-R179 HydrophobicContact CD1-CB 3.81Å; L94-R179 PolarHBondContact O-NH1 3.24Å; L94-M180 HydrophobicContact CD1-CG 4.12Å; L94-M180 HydrophobicContact CD2-CE 4.36Å; L94-M180 HydrophobicContact CD2-CG 3.94Å; L94-M180 HydrophobicContact CD2-SD 3.97Å; L94-F215 HydrophobicContact CD2-CE1 4.27Å
95	I	87.7	Confident	87.2	Confident	20 Å²	20	51.2 Å²	51.2	10%	0.103	29%	0.294	C	S	.	.	H	α-helix	trans	-85.9	-27.6	179.8	-67.7	168.8	0	0	0	112.3	I91 G92 V93 P97 D98 C99 L102 F219	I91-I95 HydrophobicContact CG2-CD1 3.5Å; I91-I95 VanDerWaalsContact CG2-CD1 3.5Å; I91-I95 HydrophobicContact CG2-CG1 4.37Å; I91-I95 WeakPolarHBondContact O-CB 3.31Å; I91-I95 VanDerWaalsContact O-CG1 3.27Å; I91-I95 WeakPolarHBondContact O-CG1 3.47Å; I91-I95 PolarHBondContact O-N 3.04Å; G92-I95 PolarHBondContact O-N 3.36Å; V93-I95 VanDerWaalsContact C-N 3.31Å; V93-I95 PolarHBondContact O-N 3.03Å; I95-P97 VanDerWaalsContact C-CD 3.46Å; I95-P97 VanDerWaalsContact O-N 3.11Å; I95-D98 CarbonylContact O-C 3.54Å; I95-D98 WeakPolarHBondContact O-CA 3.4Å; I95-D98 PolarHBondContact O-N 3.25Å; I95-C99 PolarHBondContact O-N 3.28Å; I95-C99 VanDerWaalsContact O-N 3.08Å; I95-L102 HydrophobicContact CD1-CD2 4.28Å; I95-L102 HydrophobicContact CG2-CD2 3.41Å; I95-L102 VanDerWaalsContact CG2-CD2 3.41Å; I95-F219 HydrophobicContact CD1-CE2 3.57Å; I95-F219 HydrophobicContact CD1-CZ 3.56Å; I95-F219 HydrophobicContact CG1-CE2 4.33Å; I95-F219 HydrophobicContact CG1-CZ 3.98Å
96	L	88.6	Confident	88.7	Confident	108 Å²	108	53.2 Å²	53.2	57%	0.565	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-45.7	-47	-169.6	-175.1	66.1	0	0	0	115	G92 V93 D98 C99	G92-L96 WeakPolarHBondContact O-CB 3.28Å; G92-L96 PolarHBondContact O-N 3.48Å; V93-L96 PolarHBondContact O-N 3.49Å; L96-D98 PolarHBondContact O-N 3.01Å; L96-C99 VanDerWaalsContact CA-SG 3.55Å; L96-C99 WeakPolarHBondContact O-CB 3.35Å; L96-C99 PolarHBondContact O-N 2.95Å; L96-C99 PolarHBondContact O-SG 2.91Å
97	P	89.3	Confident	89.3	Confident	57 Å²	57	56.1 Å²	56.1	37%	0.37	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-67.7	-22.1	179.1	-22.5	36.1	0	0	0	114.4	Y74 I95 R179	Y74-P97 HydrophobicContact CE1-CG 3.79Å; Y74-P97 WeakPolarHBondContact OH-CD 3.13Å; Y74-P97 WeakPolarHBondContact OH-CG 3.33Å; I95-P97 VanDerWaalsContact C-CD 3.46Å; I95-P97 VanDerWaalsContact O-N 3.11Å; P97-R179 VanDerWaalsContact CB-NH2 3.33Å
98	D	91	Very high	89.7	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.016	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-109.3	13.6	-176.2	-60.6	-68.3	0	0	0	111.7	I95 L96 V100 Y101 L102 V172 R175 R179	I95-D98 CarbonylContact O-C 3.54Å; I95-D98 WeakPolarHBondContact O-CA 3.4Å; I95-D98 PolarHBondContact O-N 3.25Å; L96-D98 PolarHBondContact O-N 3.01Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 3.39Å; D98-Y101 PolarHBondContact O-N 2.69Å; D98-Y101 VanDerWaalsContact O-N 3.17Å; D98-L102 WeakPolarHBondContact O-CB 3.43Å; D98-L102 PolarHBondContact O-N 2.94Å; D98-V172 HydrophobicContact CB-CG1 4.16Å; D98-V172 HydrophobicContact CB-CG2 4.17Å; D98-R175 WeakPolarHBondContact OD1-CD 3.21Å; D98-R175 IonicContact OD1-CZ 3.7Å; D98-R175 IonicContact OD1-NE 3.79Å; D98-R175 IonicContact OD1-NH1 2.8Å; D98-R175 PolarHBondContact OD1-NH1 3.02Å; D98-R179 IonicContact OD1-NH2 3.98Å; D98-R179 IonicContact OD2-CZ 3.19Å; D98-R179 IonicContact OD2-NH1 3.46Å; D98-R179 PolarHBondContact OD2-NH1 2.93Å; D98-R179 IonicContact OD2-NH2 2.81Å; D98-R179 PolarHBondContact OD2-NH2 2.85Å
99	C	90.7	Very high	90.1	Very high	56 Å²	56	50.4 Å²	50.4	38%	0.378	27%	0.274	S	S	.	.	H	α-helix	trans	-54.4	-41	-179.2	-86.3	0	0	0	0	113.2	I95 L96 L102 F103	I95-C99 PolarHBondContact O-N 3.28Å; I95-C99 VanDerWaalsContact O-N 3.08Å; L96-C99 VanDerWaalsContact CA-SG 3.55Å; L96-C99 WeakPolarHBondContact O-CB 3.35Å; L96-C99 PolarHBondContact O-N 2.95Å; L96-C99 PolarHBondContact O-SG 2.91Å; C99-L102 PolarHBondContact O-N 3.24Å; C99-F103 WeakPolarHBondContact O-CB 3.36Å; C99-F103 PolarHBondContact O-N 3.01Å
100	V	92	Very high	90.7	Very high	122 Å²	122	49.2 Å²	49.2	74%	0.739	27%	0.272	S	S	*	.	H	α-helix	trans	-65.7	-45.4	179.5	179.5	0	0	0	0	111.2	D98 L102 F103 G104	D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 3.39Å; V100-L102 VanDerWaalsContact C-N 3.31Å; V100-L102 PolarHBondContact O-N 3.42Å; V100-F103 PolarHBondContact O-N 3.31Å; V100-G104 PolarHBondContact O-N 3.38Å
101	Y	92.2	Very high	91.1	Very high	104 Å²	104	50.9 Å²	50.9	41%	0.408	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-39.8	176.4	-68.7	-87.3	0	0	0	111.2	D98 G104 A105 L168	D98-Y101 PolarHBondContact O-N 2.69Å; D98-Y101 VanDerWaalsContact O-N 3.17Å; Y101-G104 PolarHBondContact O-N 3.2Å; Y101-A105 PolarHBondContact O-N 3.05Å; Y101-L168 HydrophobicContact CD1-CD2 3.78Å
102	L	93.5	Very high	91.5	Very high	18 Å²	18	48.7 Å²	48.7	9%	0.094	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-43.3	176.5	-176.4	67.6	0	0	0	111.8	I95 D98 C99 V100 G104 A105 I106 L169 V172 F219 I223	I95-L102 HydrophobicContact CD1-CD2 4.28Å; I95-L102 HydrophobicContact CG2-CD2 3.41Å; I95-L102 VanDerWaalsContact CG2-CD2 3.41Å; D98-L102 WeakPolarHBondContact O-CB 3.43Å; D98-L102 PolarHBondContact O-N 2.94Å; C99-L102 PolarHBondContact O-N 3.24Å; V100-L102 VanDerWaalsContact C-N 3.31Å; V100-L102 PolarHBondContact O-N 3.42Å; L102-G104 VanDerWaalsContact C-N 3.34Å; L102-G104 PolarHBondContact O-N 2.95Å; L102-A105 WeakPolarHBondContact O-CB 3.25Å; L102-A105 PolarHBondContact O-N 3.38Å; L102-A105 VanDerWaalsContact O-N 3.15Å; L102-I106 HydrophobicContact CD1-CD1 4.44Å; L102-I106 HydrophobicContact CD2-CD1 4.34Å; L102-I106 HydrophobicContact CG-CD1 3.93Å; L102-I106 HydrophobicContact CG-CG1 4.45Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 3.02Å; L102-L169 HydrophobicContact CD1-CD1 3.84Å; L102-V172 HydrophobicContact CB-CG2 4.45Å; L102-V172 HydrophobicContact CD1-CG1 4.5Å; L102-F219 HydrophobicContact CD1-CE1 4.44Å; L102-F219 HydrophobicContact CD1-CZ 4.32Å; L102-I223 HydrophobicContact CD1-CD1 3.4Å; L102-I223 VanDerWaalsContact CD1-CD1 3.4Å; L102-I223 HydrophobicContact CD1-CG2 4.33Å; L102-I223 HydrophobicContact CD2-CD1 4.32Å; L102-I223 HydrophobicContact CG-CD1 4.41Å
103	F	93.8	Very high	91.8	Very high	138 Å²	138	46.8 Å²	46.8	61%	0.605	25%	0.252	S	S	*	.	H	α-helix	trans	-60.2	-45.2	175.7	-178	-97.8	0	0	0	111.2	C99 V100 A105 I106 L107	C99-F103 WeakPolarHBondContact O-CB 3.36Å; C99-F103 PolarHBondContact O-N 3.01Å; V100-F103 PolarHBondContact O-N 3.31Å; F103-A105 VanDerWaalsContact C-N 3.3Å; F103-A105 PolarHBondContact O-N 3.46Å; F103-I106 PolarHBondContact O-N 3.4Å; F103-L107 WeakPolarHBondContact O-CB 3.35Å; F103-L107 PolarHBondContact O-N 2.95Å
104	G	93.6	Very high	92.3	Very high	25 Å²	25	47.1 Å²	47.1	26%	0.258	25%	0.254	S	S	.	.	H	α-helix	trans	-58.9	-39.5	173.3	0	0	0	0	0	113	V100 Y101 L102 G108	V100-G104 PolarHBondContact O-N 3.38Å; Y101-G104 PolarHBondContact O-N 3.2Å; L102-G104 VanDerWaalsContact C-N 3.34Å; L102-G104 PolarHBondContact O-N 2.95Å; G104-G108 PolarHBondContact O-N 3.49Å
105	A	93.6	Very high	92.6	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-67.1	-42.9	175	0	0	0	0	0	112.6	Y101 L102 F103 L107 G108 A109 Y165 L168 L169	Y101-A105 PolarHBondContact O-N 3.05Å; L102-A105 WeakPolarHBondContact O-CB 3.25Å; L102-A105 PolarHBondContact O-N 3.38Å; L102-A105 VanDerWaalsContact O-N 3.15Å; F103-A105 VanDerWaalsContact C-N 3.3Å; F103-A105 PolarHBondContact O-N 3.46Å; A105-L107 VanDerWaalsContact C-N 3.35Å; A105-G108 PolarHBondContact O-N 2.86Å; A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 2.91Å; A105-Y165 VanDerWaalsContact O-CB 3.24Å; A105-Y165 WeakPolarHBondContact O-CB 3.43Å; A105-L168 HydrophobicContact CB-CB 3.92Å; A105-L169 HydrophobicContact CB-CB 4.03Å
106	I	94.3	Very high	92.8	Very high	62 Å²	62	49.8 Å²	49.8	32%	0.318	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-45	176.6	-72.5	169.1	0	0	0	110.2	L102 F103 A109 F110 I223 L227	L102-I106 HydrophobicContact CD1-CD1 4.44Å; L102-I106 HydrophobicContact CD2-CD1 4.34Å; L102-I106 HydrophobicContact CG-CD1 3.93Å; L102-I106 HydrophobicContact CG-CG1 4.45Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 3.02Å; F103-I106 PolarHBondContact O-N 3.4Å; I106-A109 PolarHBondContact O-N 3.46Å; I106-F110 WeakPolarHBondContact O-CB 3.35Å; I106-F110 PolarHBondContact O-N 3.47Å; I106-I223 HydrophobicContact CG1-CG2 3.92Å; I106-L227 HydrophobicContact CB-CD2 4.38Å; I106-L227 HydrophobicContact CG2-CD2 3.76Å
107	L	94	Very high	93.1	Very high	93 Å²	93	45.3 Å²	45.3	49%	0.487	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-45.9	176.9	-175.8	66.1	0	0	0	111.5	F103 A105 A109 F110 V111	F103-L107 WeakPolarHBondContact O-CB 3.35Å; F103-L107 PolarHBondContact O-N 2.95Å; A105-L107 VanDerWaalsContact C-N 3.35Å; L107-A109 PolarHBondContact O-N 2.83Å; L107-F110 WeakPolarHBondContact O-CB 3.45Å; L107-F110 PolarHBondContact O-N 3.23Å; L107-V111 WeakPolarHBondContact O-CG2 3.47Å; L107-V111 PolarHBondContact O-N 2.92Å
108	G	93.3	Very high	93.3	Very high	9 Å²	9	47.6 Å²	47.6	9%	0.093	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-41.7	175.7	0	0	0	0	0	112.6	G104 A105 F110 V111 A112 S161	G104-G108 PolarHBondContact O-N 3.49Å; A105-G108 PolarHBondContact O-N 2.86Å; G108-F110 VanDerWaalsContact C-N 3.35Å; G108-V111 PolarHBondContact O-N 3.36Å; G108-A112 WeakPolarHBondContact O-CB 3.38Å; G108-A112 PolarHBondContact O-N 2.97Å; G108-S161 WeakPolarHBondContact O-CB 3.36Å
109	A	93.4	Very high	93.5	Very high	1 Å²	1	48 Å²	48	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-38.1	175.8	0	0	0	0	0	111.9	A105 I106 L107 A113 Y165 L227	A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 2.91Å; I106-A109 PolarHBondContact O-N 3.46Å; L107-A109 PolarHBondContact O-N 2.83Å; A109-A113 WeakPolarHBondContact O-CB 3.36Å; A109-A113 PolarHBondContact O-N 2.86Å; A109-Y165 HydrophobicContact CB-CD1 4.16Å; A109-Y165 HydrophobicContact CB-CD2 4.37Å; A109-Y165 HydrophobicContact CB-CG 4.05Å; A109-L227 HydrophobicContact CB-CD2 4.24Å
110	F	94	Very high	93.6	Very high	100 Å²	100	45.6 Å²	45.6	44%	0.439	23%	0.233	S	C	.	.	H	α-helix	trans	-62.6	-51.3	174.6	-179.4	-89	0	0	0	111.5	I106 L107 G108 A112 A113 V114 I231	I106-F110 WeakPolarHBondContact O-CB 3.35Å; I106-F110 PolarHBondContact O-N 3.47Å; L107-F110 WeakPolarHBondContact O-CB 3.45Å; L107-F110 PolarHBondContact O-N 3.23Å; G108-F110 VanDerWaalsContact C-N 3.35Å; F110-A112 VanDerWaalsContact C-N 3.33Å; F110-A112 PolarHBondContact O-N 2.83Å; F110-A113 WeakPolarHBondContact O-CB 3.49Å; F110-A113 PolarHBondContact O-N 3.37Å; F110-A113 VanDerWaalsContact O-N 3.08Å; F110-V114 HydrophobicContact CD1-CG2 4.05Å; F110-V114 HydrophobicContact CE1-CG2 3.65Å; F110-V114 HydrophobicContact CE2-CG2 4.36Å; F110-V114 HydrophobicContact CZ-CG2 3.81Å; F110-V114 WeakPolarHBondContact O-CG2 3.37Å; F110-V114 PolarHBondContact O-N 3.36Å; F110-I231 HydrophobicContact CB-CD1 4.36Å; F110-I231 HydrophobicContact CD2-CD1 3.41Å; F110-I231 VanDerWaalsContact CD2-CD1 3.41Å; F110-I231 HydrophobicContact CD2-CG1 4.43Å; F110-I231 HydrophobicContact CE2-CD1 4.04Å; F110-I231 HydrophobicContact CG-CD1 4.23Å
111	V	94.4	Very high	93.7	Very high	38 Å²	38	41.6 Å²	41.6	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-44.6	178.2	175.7	0	0	0	0	110.8	L107 G108 A113 V114 M115 L157 S161	L107-V111 WeakPolarHBondContact O-CG2 3.47Å; L107-V111 PolarHBondContact O-N 2.92Å; G108-V111 PolarHBondContact O-N 3.36Å; V111-A113 VanDerWaalsContact C-N 3.29Å; V111-A113 PolarHBondContact O-N 3.08Å; V111-V114 PolarHBondContact O-N 3.45Å; V111-M115 HydrophobicContact CG1-CG 4.34Å; V111-M115 WeakPolarHBondContact O-CB 3.45Å; V111-M115 VanDerWaalsContact O-CG 3.29Å; V111-M115 WeakPolarHBondContact O-CG 3.37Å; V111-M115 PolarHBondContact O-N 3.28Å; V111-L157 HydrophobicContact CG1-CD1 4.2Å; V111-L157 HydrophobicContact CG1-CD2 4.19Å; V111-L157 HydrophobicContact CG1-CG 3.98Å; V111-S161 VanDerWaalsContact CG1-OG 3.23Å; V111-S161 WeakPolarHBondContact CG1-OG 3.37Å
112	A	93.5	Very high	93.7	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.017	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-35.4	176.1	0	0	0	0	0	112.7	G108 F110 N116 Y165	G108-A112 WeakPolarHBondContact O-CB 3.38Å; G108-A112 PolarHBondContact O-N 2.97Å; F110-A112 VanDerWaalsContact C-N 3.33Å; F110-A112 PolarHBondContact O-N 2.83Å; A112-N116 PolarHBondContact O-N 3.34Å; A112-N116 VanDerWaalsContact O-N 3.17Å; A112-Y165 HydrophobicContact CB-CD1 4.3Å; A112-Y165 HydrophobicContact CB-CE1 4Å
113	A	93.9	Very high	93.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.6	-49.7	176.1	0	0	0	0	0	111.5	A109 F110 V111 N116 V117 R228 I231 Q232	A109-A113 WeakPolarHBondContact O-CB 3.36Å; A109-A113 PolarHBondContact O-N 2.86Å; F110-A113 WeakPolarHBondContact O-CB 3.49Å; F110-A113 PolarHBondContact O-N 3.37Å; F110-A113 VanDerWaalsContact O-N 3.08Å; V111-A113 VanDerWaalsContact C-N 3.29Å; V111-A113 PolarHBondContact O-N 3.08Å; A113-N116 WeakPolarHBondContact O-CB 3.35Å; A113-N116 PolarHBondContact O-N 3.31Å; A113-N116 VanDerWaalsContact O-N 3.13Å; A113-V117 PolarHBondContact O-N 2.95Å; A113-R228 HydrophobicContact CB-CB 4.29Å; A113-R228 HydrophobicContact CB-CG 3.78Å; A113-I231 HydrophobicContact CB-CB 3.84Å; A113-I231 HydrophobicContact CB-CD1 4.07Å; A113-I231 HydrophobicContact CB-CG2 3.73Å; A113-Q232 HydrophobicContact CB-CG 4.35Å
114	V	94.1	Very high	93.6	Very high	33 Å²	33	34.2 Å²	34.2	20%	0.2	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-46.7	179	172.1	0	0	0	0	110.7	F110 V111 N116 V117 Y118 I231	F110-V114 HydrophobicContact CD1-CG2 4.05Å; F110-V114 HydrophobicContact CE1-CG2 3.65Å; F110-V114 HydrophobicContact CE2-CG2 4.36Å; F110-V114 HydrophobicContact CZ-CG2 3.81Å; F110-V114 WeakPolarHBondContact O-CG2 3.37Å; F110-V114 PolarHBondContact O-N 3.36Å; V111-V114 PolarHBondContact O-N 3.45Å; V114-N116 VanDerWaalsContact C-N 3.26Å; V114-N116 PolarHBondContact O-N 3.45Å; V114-V117 WeakPolarHBondContact O-CB 3.4Å; V114-V117 PolarHBondContact O-N 3.04Å; V114-Y118 HydrophobicContact CG1-CD2 3.63Å; V114-Y118 HydrophobicContact CG1-CE2 3.49Å; V114-Y118 VanDerWaalsContact CG1-CE2 3.49Å; V114-Y118 VanDerWaalsContact O-CD2 3.3Å; V114-Y118 WeakPolarHBondContact O-CD2 3.25Å; V114-Y118 PolarHBondContact O-N 2.94Å; V114-Y118 VanDerWaalsContact O-N 3.12Å; V114-I231 HydrophobicContact CG2-CG2 4.39Å
115	M	93.2	Very high	93.5	Very high	33 Å²	33	36.1 Å²	36.1	16%	0.163	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-39.4	175.4	-69.2	-60	128.9	0	0	111.9	V111 V117 Y118 I119 L157 Q158	V111-M115 HydrophobicContact CG1-CG 4.34Å; V111-M115 WeakPolarHBondContact O-CB 3.45Å; V111-M115 VanDerWaalsContact O-CG 3.29Å; V111-M115 WeakPolarHBondContact O-CG 3.37Å; V111-M115 PolarHBondContact O-N 3.28Å; M115-V117 PolarHBondContact O-N 3.4Å; M115-Y118 PolarHBondContact O-N 2.83Å; M115-I119 WeakPolarHBondContact O-CD1 3.33Å; M115-I119 WeakPolarHBondContact O-CG1 3.1Å; M115-I119 PolarHBondContact O-N 3.43Å; M115-L157 HydrophobicContact CE-CD2 3.68Å; M115-L157 HydrophobicContact CG-CD2 4.19Å; M115-L157 HydrophobicContact CG-CG 4.22Å; M115-L157 HydrophobicContact SD-CD2 3.84Å; M115-L157 HydrophobicContact SD-CG 4.41Å; M115-Q158 HydrophobicContact CB-CB 3.95Å; M115-Q158 HydrophobicContact CB-CG 4.4Å
116	N	93	Very high	93.4	Very high	42 Å²	42	38.5 Å²	38.5	23%	0.225	19%	0.191	C	C	.	.	H	α-helix	trans	-66.9	-24.5	177.9	-151.9	33.1	0	0	0	113.9	A112 A113 V114 P120 Q158 Q232	A112-N116 PolarHBondContact O-N 3.34Å; A112-N116 VanDerWaalsContact O-N 3.17Å; A113-N116 WeakPolarHBondContact O-CB 3.35Å; A113-N116 PolarHBondContact O-N 3.31Å; A113-N116 VanDerWaalsContact O-N 3.13Å; V114-N116 VanDerWaalsContact C-N 3.26Å; V114-N116 PolarHBondContact O-N 3.45Å; N116-P120 VanDerWaalsContact O-CD 3.24Å; N116-P120 WeakPolarHBondContact O-CD 3.48Å; N116-Q158 PolarHBondContact OD1-NE2 3.47Å; N116-Q158 VanDerWaalsContact OD1-NE2 3.17Å; N116-Q232 HydrophobicContact CB-CG 4.33Å; N116-Q232 PolarHBondContact ND2-NE2 3.43Å
117	V	94.5	Very high	93.2	Very high	14 Å²	14	37.4 Å²	37.4	9%	0.085	19%	0.188	C	C	.	.	H	α-helix	trans	-78.2	-37.3	174	175	0	0	0	0	111	A113 V114 M115 P120 Q232 A239	A113-V117 PolarHBondContact O-N 2.95Å; V114-V117 WeakPolarHBondContact O-CB 3.4Å; V114-V117 PolarHBondContact O-N 3.04Å; M115-V117 PolarHBondContact O-N 3.4Å; V117-P120 WeakPolarHBondContact O-CD 3.39Å; V117-Q232 HydrophobicContact CG2-CB 4.46Å; V117-Q232 HydrophobicContact CG2-CG 4.23Å; V117-A239 HydrophobicContact CG1-CB 4.43Å
118	Y	93.7	Very high	93	Very high	106 Å²	106	33.5 Å²	33.5	42%	0.416	17%	0.168	S	C	.	.	H	α-helix	trans	-79.4	-29	-179.8	-77.8	-70.7	0	0	0	114.4	V114 M115 L121 Y122	V114-Y118 HydrophobicContact CG1-CD2 3.63Å; V114-Y118 HydrophobicContact CG1-CE2 3.49Å; V114-Y118 VanDerWaalsContact CG1-CE2 3.49Å; V114-Y118 VanDerWaalsContact O-CD2 3.3Å; V114-Y118 WeakPolarHBondContact O-CD2 3.25Å; V114-Y118 PolarHBondContact O-N 2.94Å; V114-Y118 VanDerWaalsContact O-N 3.12Å; M115-Y118 PolarHBondContact O-N 2.83Å; Y118-L121 HydrophobicContact CD1-CD1 3.95Å; Y118-L121 HydrophobicContact CE1-CD1 4.38Å; Y118-L121 WeakPolarHBondContact O-CA 3.49Å; Y118-L121 WeakPolarHBondContact O-CB 3.46Å; Y118-L121 PolarHBondContact O-N 3.22Å; Y118-Y122 PolarHBondContact O-N 2.89Å
119	I	94.9	Very high	92.7	Very high	12 Å²	12	33.7 Å²	33.7	6%	0.062	17%	0.168	C	C	.	.	H	α-helix	trans	-53.1	-47.2	-179.4	-77	160.5	0	0	0	112.6	M115 L121 Y122 L123 Y155 Q158	M115-I119 WeakPolarHBondContact O-CD1 3.33Å; M115-I119 WeakPolarHBondContact O-CG1 3.1Å; M115-I119 PolarHBondContact O-N 3.43Å; I119-L121 VanDerWaalsContact C-N 3.3Å; I119-L121 PolarHBondContact O-N 2.91Å; I119-Y122 PolarHBondContact O-N 3.3Å; I119-L123 WeakPolarHBondContact O-CB 3.5Å; I119-L123 PolarHBondContact O-N 3.04Å; I119-Y155 HydrophobicContact CD1-CD1 3.83Å; I119-Y155 HydrophobicContact CD1-CE1 3.77Å; I119-Y155 HydrophobicContact CG1-CD1 4.45Å; I119-Y155 HydrophobicContact CG1-CE1 4.19Å; I119-Y155 HydrophobicContact CG2-CE1 3.8Å; I119-Y155 WeakPolarHBondContact CG2-OH 3.43Å; I119-Q158 VanDerWaalsContact CD1-OE1 3.29Å
120	P	93.9	Very high	92.4	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.032	18%	0.183	C	C	.	.	H	α-helix	trans	-56.5	-37.9	173.1	-30.2	37.1	0	0	0	114.8	N116 V117 L123 G124 A369 T370	N116-P120 VanDerWaalsContact O-CD 3.24Å; N116-P120 WeakPolarHBondContact O-CD 3.48Å; V117-P120 WeakPolarHBondContact O-CD 3.39Å; P120-L123 PolarHBondContact O-N 2.85Å; P120-G124 PolarHBondContact O-N 2.65Å; P120-G124 VanDerWaalsContact O-N 3.08Å; P120-A369 HydrophobicContact CB-CB 3.81Å; P120-A369 HydrophobicContact CG-CB 4.39Å; P120-T370 VanDerWaalsContact CB-OG1 3.29Å; P120-T370 WeakPolarHBondContact CB-OG1 3.5Å
121	L	92.6	Very high	92	Very high	37 Å²	37	33.9 Å²	33.9	19%	0.194	18%	0.176	C	C	.	.	H	α-helix	trans	-69.5	-45.8	178.8	-60.2	175.3	0	0	0	111	Y118 I119 L123 G124 D125 A239 I243	Y118-L121 HydrophobicContact CD1-CD1 3.95Å; Y118-L121 HydrophobicContact CE1-CD1 4.38Å; Y118-L121 WeakPolarHBondContact O-CA 3.49Å; Y118-L121 WeakPolarHBondContact O-CB 3.46Å; Y118-L121 PolarHBondContact O-N 3.22Å; I119-L121 VanDerWaalsContact C-N 3.3Å; I119-L121 PolarHBondContact O-N 2.91Å; L121-L123 VanDerWaalsContact C-N 3.25Å; L121-L123 PolarHBondContact O-N 3.12Å; L121-G124 WeakPolarHBondContact O-CA 3.11Å; L121-G124 PolarHBondContact O-N 2.98Å; L121-D125 PolarHBondContact O-N 3.34Å; L121-A239 HydrophobicContact CD1-CB 4.44Å; L121-A239 HydrophobicContact CD2-CB 4.45Å; L121-I243 HydrophobicContact CD2-CD1 3.7Å; L121-I243 HydrophobicContact CD2-CG1 4.03Å
122	Y	93.1	Very high	91.5	Very high	58 Å²	58	39.1 Å²	39.1	23%	0.227	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-30.6	175.6	-62.4	-29.4	0	0	0	112.7	Y118 I119 G124 D125 F126	Y118-Y122 PolarHBondContact O-N 2.89Å; I119-Y122 PolarHBondContact O-N 3.3Å; Y122-G124 VanDerWaalsContact C-N 3.32Å; Y122-D125 PolarHBondContact O-N 2.81Å; Y122-F126 PolarHBondContact O-N 3.02Å
123	L	93.3	Very high	91.1	Very high	47 Å²	47	39.7 Å²	39.7	25%	0.246	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-38.5	171.7	-174.2	65.1	0	0	0	111	I119 P120 L121 F126 V127 L151 M365 A369	I119-L123 WeakPolarHBondContact O-CB 3.5Å; I119-L123 PolarHBondContact O-N 3.04Å; P120-L123 PolarHBondContact O-N 2.85Å; L121-L123 VanDerWaalsContact C-N 3.25Å; L121-L123 PolarHBondContact O-N 3.12Å; L123-F126 WeakPolarHBondContact O-CB 3.43Å; L123-F126 PolarHBondContact O-N 3.33Å; L123-V127 WeakPolarHBondContact O-CG2 3.46Å; L123-V127 PolarHBondContact O-N 3.16Å; L123-V127 VanDerWaalsContact O-N 3.09Å; L123-L151 HydrophobicContact CD1-CD1 4.49Å; L123-M365 HydrophobicContact CD2-CE 3.71Å; L123-M365 HydrophobicContact CG-CE 4.4Å; L123-A369 HydrophobicContact CD2-CB 4.41Å
124	G	92.2	Very high	90.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-48.5	170.2	0	0	0	0	0	113.6	P120 L121 Y122 F126 V127 S128 G362 S366	P120-G124 PolarHBondContact O-N 2.65Å; P120-G124 VanDerWaalsContact O-N 3.08Å; L121-G124 WeakPolarHBondContact O-CA 3.11Å; L121-G124 PolarHBondContact O-N 2.98Å; Y122-G124 VanDerWaalsContact C-N 3.32Å; G124-F126 PolarHBondContact O-N 3.07Å; G124-V127 CarbonylContact O-C 3.21Å; G124-V127 WeakPolarHBondContact O-CA 3.31Å; G124-V127 PolarHBondContact O-N 2.89Å; G124-S128 PolarHBondContact O-N 3.35Å; G124-S128 PolarHBondContact O-OG 2.96Å; G124-G362 VanDerWaalsContact CA-O 3.23Å; G124-G362 WeakPolarHBondContact CA-O 3.42Å; G124-G362 WeakPolarHBondContact O-CA 3.49Å; G124-S366 WeakPolarHBondContact CA-OG 3.25Å
125	D	90.8	Very high	89.8	Confident	64 Å²	64	48.2 Å²	48.2	34%	0.342	25%	0.247	S	C	.	.	H	α-helix	trans	-55.8	-40	177.2	-70.9	-16.7	0	0	0	111.6	L121 Y122 S129	L121-D125 PolarHBondContact O-N 3.34Å; Y122-D125 PolarHBondContact O-N 2.81Å; D125-S129 WeakPolarHBondContact O-CB 3.4Å; D125-S129 PolarHBondContact O-N 2.89Å; D125-S129 PolarHBondContact O-OG 2.76Å
126	F	91.7	Very high	89.3	Confident	52 Å²	52	50.3 Å²	50.3	23%	0.228	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-47.1	173.9	176.8	-86.5	0	0	0	111.3	Y122 L123 G124 S129 L130 V144 P147 T148 L151	Y122-F126 PolarHBondContact O-N 3.02Å; L123-F126 WeakPolarHBondContact O-CB 3.43Å; L123-F126 PolarHBondContact O-N 3.33Å; G124-F126 PolarHBondContact O-N 3.07Å; F126-S129 PolarHBondContact O-N 3.46Å; F126-L130 WeakPolarHBondContact O-CB 3.21Å; F126-L130 PolarHBondContact O-N 3.47Å; F126-V144 HydrophobicContact CD2-CG1 3.75Å; F126-V144 HydrophobicContact CE2-CG1 3.17Å; F126-V144 HydrophobicContact CZ-CG1 3.95Å; F126-P147 HydrophobicContact CB-CB 3.88Å; F126-P147 HydrophobicContact CD2-CB 4.22Å; F126-T148 WeakPolarHBondContact CE2-OG1 3.46Å; F126-L151 HydrophobicContact CB-CD1 4.05Å; F126-L151 HydrophobicContact CD2-CD1 4.43Å; F126-L151 HydrophobicContact CG-CD1 4.36Å
127	V	90.6	Very high	88.5	Confident	39 Å²	39	56.5 Å²	56.5	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-40.6	178.2	172.3	0	0	0	0	112.2	L123 G124 S129 L130 S131 A361 M365	L123-V127 WeakPolarHBondContact O-CG2 3.46Å; L123-V127 PolarHBondContact O-N 3.16Å; L123-V127 VanDerWaalsContact O-N 3.09Å; G124-V127 CarbonylContact O-C 3.21Å; G124-V127 WeakPolarHBondContact O-CA 3.31Å; G124-V127 PolarHBondContact O-N 2.89Å; V127-S129 VanDerWaalsContact C-N 3.3Å; V127-S129 PolarHBondContact O-N 3.48Å; V127-L130 PolarHBondContact O-N 3.49Å; V127-S131 WeakPolarHBondContact O-CB 3.23Å; V127-S131 PolarHBondContact O-N 3.43Å; V127-A361 HydrophobicContact CG1-CB 4.47Å; V127-M365 HydrophobicContact CG1-CB 4.46Å; V127-M365 HydrophobicContact CG2-CB 4.42Å; V127-M365 HydrophobicContact CG2-CG 4.09Å
128	S	88.3	Confident	87.5	Confident	11 Å²	11	61.3 Å²	61.3	8%	0.077	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-37.3	173.7	-72.9	0	0	0	0	112.1	G124 R132 D360 G362	G124-S128 PolarHBondContact O-N 3.35Å; G124-S128 PolarHBondContact O-OG 2.96Å; S128-R132 WeakPolarHBondContact O-CB 3.41Å; S128-R132 WeakPolarHBondContact O-CG 3.2Å; S128-R132 PolarHBondContact O-N 3.46Å; S128-R132 PolarHBondContact O-NE 3.33Å; S128-D360 VanDerWaalsContact CB-OD2 3.25Å; S128-D360 WeakPolarHBondContact CB-OD2 3.39Å; S128-D360 PolarHBondContact OG-OD2 2.96Å; S128-G362 VanDerWaalsContact OG-CA 3.25Å; S128-G362 WeakPolarHBondContact OG-CA 3.18Å; S128-G362 PolarHBondContact OG-N 3.39Å
129	S	87.4	Confident	86.8	Confident	12 Å²	12	58.4 Å²	58.4	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-71.4	-37	176.6	-54.3	0	0	0	0	111.5	D125 F126 V127 R132 C133	D125-S129 WeakPolarHBondContact O-CB 3.4Å; D125-S129 PolarHBondContact O-N 2.89Å; D125-S129 PolarHBondContact O-OG 2.76Å; F126-S129 PolarHBondContact O-N 3.46Å; V127-S129 VanDerWaalsContact C-N 3.3Å; V127-S129 PolarHBondContact O-N 3.48Å; S129-R132 PolarHBondContact OG-NH2 3.11Å; S129-C133 WeakPolarHBondContact O-CB 3.36Å; S129-C133 PolarHBondContact O-N 3.04Å
130	L	86.9	Confident	86.1	Confident	63 Å²	63	63.4 Å²	63.4	33%	0.33	34%	0.335	S	S	.	.	H	α-helix	trans	-65.4	-47.1	173.3	-174.6	65.9	0	0	0	111.8	F126 V127 R132 C133 V134 F140	F126-L130 WeakPolarHBondContact O-CB 3.21Å; F126-L130 PolarHBondContact O-N 3.47Å; V127-L130 PolarHBondContact O-N 3.49Å; L130-R132 VanDerWaalsContact C-N 3.34Å; L130-R132 PolarHBondContact O-N 3.29Å; L130-C133 PolarHBondContact O-N 3.08Å; L130-V134 WeakPolarHBondContact O-CG2 3.5Å; L130-V134 PolarHBondContact O-N 3.1Å; L130-F140 HydrophobicContact CD1-CD2 4.25Å; L130-F140 HydrophobicContact CD1-CE2 3.64Å
131	S	85.7	Confident	85.5	Confident	43 Å²	43	68.4 Å²	68.4	30%	0.301	37%	0.365	S	S	.	.	H	α-helix	trans	-57.2	-47.4	176	-177	0	0	0	0	111	V127 C133 V134 V135	V127-S131 WeakPolarHBondContact O-CB 3.23Å; V127-S131 PolarHBondContact O-N 3.43Å; S131-C133 PolarHBondContact O-N 2.96Å; S131-V134 PolarHBondContact O-N 3.42Å; S131-V135 WeakPolarHBondContact O-CG2 3.23Å; S131-V135 PolarHBondContact O-N 2.97Å
132	R	83.9	Confident	84.9	Confident	148 Å²	148	70.2 Å²	70.2	56%	0.558	38%	0.381	S	S	*	.	H	α-helix	trans	-62.6	-42.2	175.6	-77.9	-177.2	-70.6	164.3	-1.4	113	S128 S129 L130 V134 V135 T136	S128-R132 WeakPolarHBondContact O-CB 3.41Å; S128-R132 WeakPolarHBondContact O-CG 3.2Å; S128-R132 PolarHBondContact O-N 3.46Å; S128-R132 PolarHBondContact O-NE 3.33Å; S129-R132 PolarHBondContact OG-NH2 3.11Å; L130-R132 VanDerWaalsContact C-N 3.34Å; L130-R132 PolarHBondContact O-N 3.29Å; R132-V134 VanDerWaalsContact C-N 3.31Å; R132-V134 PolarHBondContact O-N 2.75Å; R132-V135 PolarHBondContact O-N 2.87Å; R132-T136 WeakPolarHBondContact O-CB 3.46Å; R132-T136 WeakPolarHBondContact O-CG2 3.23Å; R132-T136 PolarHBondContact O-N 2.99Å; R132-T136 PolarHBondContact O-OG1 3.29Å
133	C	85	Confident	84.3	Confident	13 Å²	13	68.3 Å²	68.3	9%	0.088	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-40.9	177.4	174.7	0	0	0	0	112	S129 L130 S131 V135 H137 E138 A143	S129-C133 WeakPolarHBondContact O-CB 3.36Å; S129-C133 PolarHBondContact O-N 3.04Å; L130-C133 PolarHBondContact O-N 3.08Å; S131-C133 PolarHBondContact O-N 2.96Å; C133-V135 VanDerWaalsContact C-N 3.34Å; C133-V135 PolarHBondContact O-N 3.18Å; C133-H137 WeakPolarHBondContact O-CA 3.29Å; C133-H137 PolarHBondContact O-N 3.34Å; C133-E138 PolarHBondContact SG-O 2.91Å; C133-A143 HydrophobicContact CB-CB 4.02Å
134	V	80.6	Confident	84	Confident	102 Å²	102	66.4 Å²	66.4	62%	0.618	37%	0.367	S	S	*	.	H	α-helix	trans	-64.6	-38.5	176.6	173.8	0	0	0	0	111.8	L130 S131 R132	L130-V134 WeakPolarHBondContact O-CG2 3.5Å; L130-V134 PolarHBondContact O-N 3.1Å; S131-V134 PolarHBondContact O-N 3.42Å; R132-V134 VanDerWaalsContact C-N 3.31Å; R132-V134 PolarHBondContact O-N 2.75Å
135	V	81.2	Confident	83.9	Confident	111 Å²	111	73 Å²	73	67%	0.673	39%	0.393	S	S	*	.	H	α-helix	trans	-78	-38.7	-179.2	175.8	0	0	0	0	112.6	S131 R132 C133	S131-V135 WeakPolarHBondContact O-CG2 3.23Å; S131-V135 PolarHBondContact O-N 2.97Å; R132-V135 PolarHBondContact O-N 2.87Å; C133-V135 VanDerWaalsContact C-N 3.34Å; C133-V135 PolarHBondContact O-N 3.18Å
136	T	81.8	Confident	83.8	Confident	76 Å²	76	72.2 Å²	72.2	47%	0.466	39%	0.39	S	S	.	.	H	α-helix	trans	-92.1	-11.7	-173.8	55.4	0	0	0	0	114.2	R132 E138	R132-T136 WeakPolarHBondContact O-CB 3.46Å; R132-T136 WeakPolarHBondContact O-CG2 3.23Å; R132-T136 PolarHBondContact O-N 2.99Å; R132-T136 PolarHBondContact O-OG1 3.29Å; T136-E138 PolarHBondContact O-N 3.34Å; T136-E138 WeakPolarHBondContact OG1-CG 3.48Å
137	H	76	Confident	83.8	Confident	172 Å²	172	70.2 Å²	70.2	80%	0.796	38%	0.382	S	S	*	.			trans	55.3	24.5	-170.7	-62.6	-78.8	0	0	0	114.2	C133	C133-H137 WeakPolarHBondContact O-CA 3.29Å; C133-H137 PolarHBondContact O-N 3.34Å
138	E	74.3	Confident	83.8	Confident	116 Å²	116	70.8 Å²	70.8	54%	0.542	39%	0.386	S	S	.	.			trans	-62.6	157.8	171.5	-78.9	-176.4	-178.9	0	0	112.1	C133 T136 F140	C133-E138 PolarHBondContact SG-O 2.91Å; T136-E138 PolarHBondContact O-N 3.34Å; T136-E138 WeakPolarHBondContact OG1-CG 3.48Å; E138-F140 PolarHBondContact O-N 3.35Å; E138-F140 VanDerWaalsContact O-N 3.1Å
139	G	78.3	Confident	84	Confident	45 Å²	45	76 Å²	76	46%	0.464	41%	0.412	S	S	.	.			trans	-56	116.6	174.1	0	0	0	0	0	111.7	V141 S142 A143	G139-V141 PolarHBondContact O-N 3.31Å; G139-V141 VanDerWaalsContact O-N 3.12Å; G139-S142 PolarHBondContact O-N 3.49Å; G139-S142 PolarHBondContact O-OG 3.32Å; G139-A143 PolarHBondContact O-N 2.69Å; G139-A143 VanDerWaalsContact O-N 3.14Å
140	F	80.9	Confident	84.2	Confident	117 Å²	117	81.1 Å²	81.1	51%	0.513	43%	0.429	S	S	.	.	H	α-helix	trans	-48.6	-44.7	-177.7	175.9	-97	0	0	0	112.9	L130 E138 A143 V144	L130-F140 HydrophobicContact CD1-CD2 4.25Å; L130-F140 HydrophobicContact CD1-CE2 3.64Å; E138-F140 PolarHBondContact O-N 3.35Å; E138-F140 VanDerWaalsContact O-N 3.1Å; F140-A143 PolarHBondContact O-N 2.89Å; F140-V144 HydrophobicContact CD2-CG2 4.17Å; F140-V144 HydrophobicContact CE2-CG2 4.02Å; F140-V144 HydrophobicContact CZ-CG2 4.3Å; F140-V144 VanDerWaalsContact O-CB 3.29Å; F140-V144 WeakPolarHBondContact O-CB 3.49Å; F140-V144 VanDerWaalsContact O-CG2 3.26Å; F140-V144 WeakPolarHBondContact O-CG2 3.3Å; F140-V144 PolarHBondContact O-N 3Å; F140-V144 VanDerWaalsContact O-N 3.12Å
141	V	81.8	Confident	84.6	Confident	110 Å²	110	78.9 Å²	78.9	67%	0.667	42%	0.418	S	S	*	.	H	α-helix	trans	-65.2	-44.3	-177.8	-177.9	0	0	0	0	111.4	G139 A143 V144 Y145	G139-V141 PolarHBondContact O-N 3.31Å; G139-V141 VanDerWaalsContact O-N 3.12Å; V141-A143 VanDerWaalsContact C-N 3.34Å; V141-A143 PolarHBondContact O-N 3.17Å; V141-V144 PolarHBondContact O-N 2.89Å; V141-Y145 WeakPolarHBondContact O-CB 3.38Å; V141-Y145 WeakPolarHBondContact O-CD1 3.49Å; V141-Y145 PolarHBondContact O-N 3.49Å
142	S	79.7	Confident	85	Confident	75 Å²	75	80 Å²	80	52%	0.524	42%	0.424	S	S	.	.	H	α-helix	trans	-69.6	-30.2	-178.9	49.1	0	0	0	0	113	G139 Y145	G139-S142 PolarHBondContact O-N 3.49Å; G139-S142 PolarHBondContact O-OG 3.32Å; S142-Y145 WeakPolarHBondContact O-CD1 3.47Å; S142-Y145 WeakPolarHBondContact O-CE1 3.49Å
143	A	80.8	Confident	85.5	Confident	17 Å²	17	76 Å²	76	14%	0.14	42%	0.42	C	S	.	.	H	α-helix	trans	-75.8	-33.4	176.3	0	0	0	0	0	112.5	C133 G139 F140 V141	C133-A143 HydrophobicContact CB-CB 4.02Å; G139-A143 PolarHBondContact O-N 2.69Å; G139-A143 VanDerWaalsContact O-N 3.14Å; F140-A143 PolarHBondContact O-N 2.89Å; V141-A143 VanDerWaalsContact C-N 3.34Å; V141-A143 PolarHBondContact O-N 3.17Å
144	V	86.5	Confident	85.9	Confident	7 Å²	7	75.6 Å²	75.6	4%	0.042	42%	0.417	C	S	.	.	H	α-helix	trans	-102.6	-22.3	-166.4	177.8	0	0	0	0	113.8	F126 F140 V141 V146 P147 T148	F126-V144 HydrophobicContact CD2-CG1 3.75Å; F126-V144 HydrophobicContact CE2-CG1 3.17Å; F126-V144 HydrophobicContact CZ-CG1 3.95Å; F140-V144 HydrophobicContact CD2-CG2 4.17Å; F140-V144 HydrophobicContact CE2-CG2 4.02Å; F140-V144 HydrophobicContact CZ-CG2 4.3Å; F140-V144 VanDerWaalsContact O-CB 3.29Å; F140-V144 WeakPolarHBondContact O-CB 3.49Å; F140-V144 VanDerWaalsContact O-CG2 3.26Å; F140-V144 WeakPolarHBondContact O-CG2 3.3Å; F140-V144 PolarHBondContact O-N 3Å; F140-V144 VanDerWaalsContact O-N 3.12Å; V141-V144 PolarHBondContact O-N 2.89Å; V144-V146 PolarHBondContact O-N 3.36Å; V144-P147 VanDerWaalsContact O-CD 3.28Å; V144-P147 WeakPolarHBondContact O-CD 3.17Å; V144-T148 WeakPolarHBondContact CG1-OG1 3.28Å; V144-T148 WeakPolarHBondContact O-CB 3.47Å; V144-T148 PolarHBondContact O-N 3.41Å; V144-T148 PolarHBondContact O-OG1 2.99Å; V144-T148 VanDerWaalsContact O-OG1 3.04Å
145	Y	89.3	Confident	86.5	Confident	141 Å²	141	75.8 Å²	75.8	55%	0.553	41%	0.407	S	S	*	.	H	α-helix	trans	-59.4	-40.5	-173.2	81.9	-81	0	0	0	114	V141 S142 T148 L149	V141-Y145 WeakPolarHBondContact O-CB 3.38Å; V141-Y145 WeakPolarHBondContact O-CD1 3.49Å; V141-Y145 PolarHBondContact O-N 3.49Å; S142-Y145 WeakPolarHBondContact O-CD1 3.47Å; S142-Y145 WeakPolarHBondContact O-CE1 3.49Å; Y145-T148 PolarHBondContact O-N 3.4Å; Y145-L149 VanDerWaalsContact O-CB 3.31Å; Y145-L149 WeakPolarHBondContact O-CB 3.37Å; Y145-L149 PolarHBondContact O-N 3.35Å
146	V	90	Very high	87.2	Confident	47 Å²	47	76.4 Å²	76.4	29%	0.285	41%	0.406	S	S	.	.	H	α-helix	trans	-66.9	-52.9	-178.5	179.6	0	0	0	0	111.5	V144 T148 L149 R150	V144-V146 PolarHBondContact O-N 3.36Å; V146-T148 VanDerWaalsContact C-N 3.31Å; V146-T148 PolarHBondContact O-N 3.48Å; V146-L149 PolarHBondContact O-N 3.17Å; V146-R150 WeakPolarHBondContact O-CG 3.27Å; V146-R150 PolarHBondContact O-N 3.13Å
147	P	90.1	Very high	87.9	Confident	10 Å²	10	76.2 Å²	76.2	7%	0.065	40%	0.402	C	S	.	.	H	α-helix	trans	-56.9	-41.7	174.1	-25.4	32.4	0	0	0	113.3	F126 V144 R150 L151	F126-P147 HydrophobicContact CB-CB 3.88Å; F126-P147 HydrophobicContact CD2-CB 4.22Å; V144-P147 VanDerWaalsContact O-CD 3.28Å; V144-P147 WeakPolarHBondContact O-CD 3.17Å; P147-R150 PolarHBondContact O-N 2.86Å; P147-L151 PolarHBondContact O-N 2.93Å
148	T	91.2	Very high	88.8	Confident	51 Å²	51	69.9 Å²	69.9	31%	0.313	37%	0.372	S	S	.	.	H	α-helix	trans	-63	-44.1	177.9	-60.1	0	0	0	0	111.9	F126 V144 Y145 V146 R150 L151 C152	F126-T148 WeakPolarHBondContact CE2-OG1 3.46Å; V144-T148 WeakPolarHBondContact CG1-OG1 3.28Å; V144-T148 WeakPolarHBondContact O-CB 3.47Å; V144-T148 PolarHBondContact O-N 3.41Å; V144-T148 PolarHBondContact O-OG1 2.99Å; V144-T148 VanDerWaalsContact O-OG1 3.04Å; Y145-T148 PolarHBondContact O-N 3.4Å; V146-T148 VanDerWaalsContact C-N 3.31Å; V146-T148 PolarHBondContact O-N 3.48Å; T148-R150 VanDerWaalsContact C-N 3.34Å; T148-R150 PolarHBondContact O-N 3.41Å; T148-L151 PolarHBondContact O-N 3.08Å; T148-C152 PolarHBondContact O-N 2.92Å; T148-C152 PolarHBondContact O-SG 3.36Å; T148-C152 VanDerWaalsContact O-SG 3.38Å
149	L	92.7	Very high	89.8	Confident	119 Å²	119	67.9 Å²	67.9	62%	0.623	37%	0.371	S	S	*	.	H	α-helix	trans	-62.9	-40.6	177.9	-171.5	69.7	0	0	0	111.7	Y145 V146 C152 S153	Y145-L149 VanDerWaalsContact O-CB 3.31Å; Y145-L149 WeakPolarHBondContact O-CB 3.37Å; Y145-L149 PolarHBondContact O-N 3.35Å; V146-L149 PolarHBondContact O-N 3.17Å; L149-C152 PolarHBondContact O-N 3.2Å; L149-S153 WeakPolarHBondContact O-CB 3.49Å; L149-S153 PolarHBondContact O-N 2.88Å; L149-S153 PolarHBondContact O-OG 3.18Å; L149-S153 VanDerWaalsContact O-OG 3.1Å
150	R	92.7	Very high	90.6	Very high	121 Å²	121	70.5 Å²	70.5	46%	0.457	37%	0.374	S	S	.	.	H	α-helix	trans	-61.4	-44.3	173.7	-71.1	178.4	-177.2	174.3	1.8	111.6	V146 P147 T148 S153 S154	V146-R150 WeakPolarHBondContact O-CG 3.27Å; V146-R150 PolarHBondContact O-N 3.13Å; P147-R150 PolarHBondContact O-N 2.86Å; T148-R150 VanDerWaalsContact C-N 3.34Å; T148-R150 PolarHBondContact O-N 3.41Å; R150-S153 PolarHBondContact O-OG 3.27Å; R150-S154 WeakPolarHBondContact O-CB 3.38Å; R150-S154 PolarHBondContact O-N 3.03Å; R150-S154 PolarHBondContact O-OG 3.49Å
151	L	93.3	Very high	91.3	Very high	16 Å²	16	65.3 Å²	65.3	8%	0.084	35%	0.353	C	S	.	.	H	α-helix	trans	-62.2	-50.3	174.9	-77.7	170.5	0	0	0	112	L123 F126 P147 T148 S153 S154 Y155	L123-L151 HydrophobicContact CD1-CD1 4.49Å; F126-L151 HydrophobicContact CB-CD1 4.05Å; F126-L151 HydrophobicContact CD2-CD1 4.43Å; F126-L151 HydrophobicContact CG-CD1 4.36Å; P147-L151 PolarHBondContact O-N 2.93Å; T148-L151 PolarHBondContact O-N 3.08Å; L151-S153 PolarHBondContact O-N 2.91Å; L151-S154 WeakPolarHBondContact CA-OG 3.37Å; L151-S154 PolarHBondContact O-N 3.33Å; L151-S154 PolarHBondContact O-OG 2.82Å; L151-Y155 HydrophobicContact CB-CD2 4.49Å; L151-Y155 HydrophobicContact CB-CE2 4.25Å; L151-Y155 HydrophobicContact CD2-CE2 4.22Å; L151-Y155 WeakPolarHBondContact O-CD2 3.3Å; L151-Y155 PolarHBondContact O-N 3.45Å
152	C	94.3	Very high	91.9	Very high	65 Å²	65	61.9 Å²	61.9	44%	0.439	33%	0.332	S	S	.	.	H	α-helix	trans	-58.2	-46.7	178.2	-71	0	0	0	0	112.2	T148 L149 S154 Y155 L156	T148-C152 PolarHBondContact O-N 2.92Å; T148-C152 PolarHBondContact O-SG 3.36Å; T148-C152 VanDerWaalsContact O-SG 3.38Å; L149-C152 PolarHBondContact O-N 3.2Å; C152-S154 PolarHBondContact O-N 3.29Å; C152-Y155 PolarHBondContact O-N 3.02Å; C152-L156 WeakPolarHBondContact O-CB 3.44Å; C152-L156 WeakPolarHBondContact O-CG 3.3Å; C152-L156 PolarHBondContact O-N 3.45Å
153	S	94.3	Very high	92.6	Very high	66 Å²	66	65.7 Å²	65.7	46%	0.462	34%	0.339	S	S	.	.	H	α-helix	trans	-63.8	-39	178.3	67.5	0	0	0	0	112.6	L149 R150 L151 L156 L157	L149-S153 WeakPolarHBondContact O-CB 3.49Å; L149-S153 PolarHBondContact O-N 2.88Å; L149-S153 PolarHBondContact O-OG 3.18Å; L149-S153 VanDerWaalsContact O-OG 3.1Å; R150-S153 PolarHBondContact O-OG 3.27Å; L151-S153 PolarHBondContact O-N 2.91Å; S153-L156 PolarHBondContact O-N 3.49Å; S153-L157 VanDerWaalsContact O-CB 3.31Å; S153-L157 WeakPolarHBondContact O-CB 3.45Å; S153-L157 PolarHBondContact O-N 2.97Å
154	S	93.4	Very high	93.2	Very high	3 Å²	3	68.8 Å²	68.8	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-70.1	-39	178.1	61.9	0	0	0	0	112.9	R150 L151 C152 L157 Q158	R150-S154 WeakPolarHBondContact O-CB 3.38Å; R150-S154 PolarHBondContact O-N 3.03Å; R150-S154 PolarHBondContact O-OG 3.49Å; L151-S154 WeakPolarHBondContact CA-OG 3.37Å; L151-S154 PolarHBondContact O-N 3.33Å; L151-S154 PolarHBondContact O-OG 2.82Å; C152-S154 PolarHBondContact O-N 3.29Å; S154-L157 PolarHBondContact O-N 2.96Å; S154-Q158 VanDerWaalsContact O-CB 3.23Å; S154-Q158 WeakPolarHBondContact O-CB 3.4Å; S154-Q158 PolarHBondContact O-N 2.97Å
155	Y	95	Very high	93.6	Very high	106 Å²	106	68.9 Å²	68.9	42%	0.416	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-40.8	172.9	-73.1	-55.8	0	0	0	112.4	I119 L151 C152 S159	I119-Y155 HydrophobicContact CD1-CD1 3.83Å; I119-Y155 HydrophobicContact CD1-CE1 3.77Å; I119-Y155 HydrophobicContact CG1-CD1 4.45Å; I119-Y155 HydrophobicContact CG1-CE1 4.19Å; I119-Y155 HydrophobicContact CG2-CE1 3.8Å; I119-Y155 WeakPolarHBondContact CG2-OH 3.43Å; L151-Y155 HydrophobicContact CB-CD2 4.49Å; L151-Y155 HydrophobicContact CB-CE2 4.25Å; L151-Y155 HydrophobicContact CD2-CE2 4.22Å; L151-Y155 WeakPolarHBondContact O-CD2 3.3Å; L151-Y155 PolarHBondContact O-N 3.45Å; C152-Y155 PolarHBondContact O-N 3.02Å; Y155-S159 VanDerWaalsContact O-CB 3.3Å; Y155-S159 WeakPolarHBondContact O-CB 3.25Å; Y155-S159 PolarHBondContact O-N 2.96Å; Y155-S159 PolarHBondContact O-OG 2.91Å
156	L	95.9	Very high	93.8	Very high	125 Å²	125	66.9 Å²	66.9	65%	0.654	35%	0.35	S	S	*	.	H	α-helix	trans	-64.6	-46.2	176.3	-74.8	173.4	0	0	0	111.3	C152 S153 S159 L160	C152-L156 WeakPolarHBondContact O-CB 3.44Å; C152-L156 WeakPolarHBondContact O-CG 3.3Å; C152-L156 PolarHBondContact O-N 3.45Å; S153-L156 PolarHBondContact O-N 3.49Å; L156-S159 PolarHBondContact O-N 2.88Å; L156-L160 WeakPolarHBondContact O-CB 3.33Å; L156-L160 PolarHBondContact O-N 2.87Å
157	L	95.6	Very high	94	Very high	72 Å²	72	66.6 Å²	66.6	38%	0.377	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-46.5	177.6	-177.4	56.6	0	0	0	111.4	V111 M115 S153 S154 S159 L160 S161	V111-L157 HydrophobicContact CG1-CD1 4.2Å; V111-L157 HydrophobicContact CG1-CD2 4.19Å; V111-L157 HydrophobicContact CG1-CG 3.98Å; M115-L157 HydrophobicContact CE-CD2 3.68Å; M115-L157 HydrophobicContact CG-CD2 4.19Å; M115-L157 HydrophobicContact CG-CG 4.22Å; M115-L157 HydrophobicContact SD-CD2 3.84Å; M115-L157 HydrophobicContact SD-CG 4.41Å; S153-L157 VanDerWaalsContact O-CB 3.31Å; S153-L157 WeakPolarHBondContact O-CB 3.45Å; S153-L157 PolarHBondContact O-N 2.97Å; S154-L157 PolarHBondContact O-N 2.96Å; L157-S159 VanDerWaalsContact C-N 3.29Å; L157-S159 PolarHBondContact O-N 2.85Å; L157-L160 PolarHBondContact O-N 2.62Å; L157-S161 WeakPolarHBondContact O-CB 3.33Å; L157-S161 PolarHBondContact O-N 2.93Å; L157-S161 PolarHBondContact O-OG 3.37Å
158	Q	94.5	Very high	94.2	Very high	38 Å²	38	68.4 Å²	68.4	18%	0.178	37%	0.366	C	S	.	.	H	α-helix	trans	-56.2	-44.6	174.9	-175.8	-175.7	41.7	0	0	111.7	M115 N116 I119 S154 T162	M115-Q158 HydrophobicContact CB-CB 3.95Å; M115-Q158 HydrophobicContact CB-CG 4.4Å; N116-Q158 PolarHBondContact OD1-NE2 3.47Å; N116-Q158 VanDerWaalsContact OD1-NE2 3.17Å; I119-Q158 VanDerWaalsContact CD1-OE1 3.29Å; S154-Q158 VanDerWaalsContact O-CB 3.23Å; S154-Q158 WeakPolarHBondContact O-CB 3.4Å; S154-Q158 PolarHBondContact O-N 2.97Å; Q158-T162 VanDerWaalsContact O-CB 3.25Å; Q158-T162 WeakPolarHBondContact O-CB 3.43Å; Q158-T162 PolarHBondContact O-N 2.92Å; Q158-T162 PolarHBondContact O-OG1 3.25Å
159	S	95.3	Very high	94.4	Very high	74 Å²	74	66.2 Å²	66.2	52%	0.517	35%	0.352	S	S	.	.	H	α-helix	trans	-66.5	-45.9	-179.4	-60.4	0	0	0	0	111.9	Y155 L156 L157 T162 F163	Y155-S159 VanDerWaalsContact O-CB 3.3Å; Y155-S159 WeakPolarHBondContact O-CB 3.25Å; Y155-S159 PolarHBondContact O-N 2.96Å; Y155-S159 PolarHBondContact O-OG 2.91Å; L156-S159 PolarHBondContact O-N 2.88Å; L157-S159 VanDerWaalsContact C-N 3.29Å; L157-S159 PolarHBondContact O-N 2.85Å; S159-T162 WeakPolarHBondContact O-CB 3.36Å; S159-T162 PolarHBondContact O-N 3.33Å; S159-F163 PolarHBondContact O-N 3.49Å
160	L	95.8	Very high	94.4	Very high	100 Å²	100	61.4 Å²	61.4	52%	0.524	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-47.8	176.6	179.6	61.8	0	0	0	111.4	L156 L157 T162 F163 L164	L156-L160 WeakPolarHBondContact O-CB 3.33Å; L156-L160 PolarHBondContact O-N 2.87Å; L157-L160 PolarHBondContact O-N 2.62Å; L160-T162 PolarHBondContact O-N 2.84Å; L160-F163 PolarHBondContact O-N 3.44Å; L160-L164 HydrophobicContact CD1-CD1 4.32Å; L160-L164 HydrophobicContact CD1-CG 4.41Å; L160-L164 HydrophobicContact CG-CD1 4.15Å; L160-L164 WeakPolarHBondContact O-CG 3.43Å; L160-L164 PolarHBondContact O-N 3.33Å
161	S	94.5	Very high	94.5	Very high	9 Å²	9	58.4 Å²	58.4	6%	0.063	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-38.1	175.6	-62.5	0	0	0	0	111.5	G108 V111 L157 L164 Y165	G108-S161 WeakPolarHBondContact O-CB 3.36Å; V111-S161 VanDerWaalsContact CG1-OG 3.23Å; V111-S161 WeakPolarHBondContact CG1-OG 3.37Å; L157-S161 WeakPolarHBondContact O-CB 3.33Å; L157-S161 PolarHBondContact O-N 2.93Å; L157-S161 PolarHBondContact O-OG 3.37Å; S161-L164 PolarHBondContact O-N 3.31Å; S161-Y165 WeakPolarHBondContact O-CD1 3.43Å; S161-Y165 PolarHBondContact O-N 3.44Å
162	T	94.2	Very high	94.6	Very high	37 Å²	37	57.7 Å²	57.7	23%	0.227	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-46.8	177	-61.1	0	0	0	0	112.8	Q158 S159 L160 Y165 I166	Q158-T162 VanDerWaalsContact O-CB 3.25Å; Q158-T162 WeakPolarHBondContact O-CB 3.43Å; Q158-T162 PolarHBondContact O-N 2.92Å; Q158-T162 PolarHBondContact O-OG1 3.25Å; S159-T162 WeakPolarHBondContact O-CB 3.36Å; S159-T162 PolarHBondContact O-N 3.33Å; L160-T162 PolarHBondContact O-N 2.84Å; T162-Y165 VanDerWaalsContact CA-CD1 3.47Å; T162-Y165 HydrophobicContact CG2-CE1 3.9Å; T162-I166 HydrophobicContact CG2-CD1 3.61Å; T162-I166 HydrophobicContact CG2-CG1 4.37Å; T162-I166 WeakPolarHBondContact O-CB 3.24Å; T162-I166 WeakPolarHBondContact O-CG1 3.43Å; T162-I166 PolarHBondContact O-N 3.35Å; T162-I166 VanDerWaalsContact O-N 3.11Å
163	F	94.8	Very high	94.7	Very high	155 Å²	155	54.6 Å²	54.6	68%	0.68	31%	0.305	S	S	*	.	H	α-helix	trans	-58.9	-49.5	175	176.2	-97.3	0	0	0	111.7	S159 L160 I166 G167	S159-F163 PolarHBondContact O-N 3.49Å; L160-F163 PolarHBondContact O-N 3.44Å; F163-I166 PolarHBondContact O-N 3.4Å; F163-G167 PolarHBondContact O-N 2.97Å
164	L	93.7	Very high	94.7	Very high	83 Å²	83	55.7 Å²	55.7	44%	0.435	30%	0.302	S	S	.	.	H	α-helix	trans	-60.8	-50.1	-178.6	-70.7	173.2	0	0	0	111.9	L160 S161 I166 G167 L168	L160-L164 HydrophobicContact CD1-CD1 4.32Å; L160-L164 HydrophobicContact CD1-CG 4.41Å; L160-L164 HydrophobicContact CG-CD1 4.15Å; L160-L164 WeakPolarHBondContact O-CG 3.43Å; L160-L164 PolarHBondContact O-N 3.33Å; S161-L164 PolarHBondContact O-N 3.31Å; L164-I166 PolarHBondContact O-N 3.35Å; L164-G167 PolarHBondContact O-N 3.47Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.33Å; L164-L168 PolarHBondContact O-N 2.77Å
165	Y	94	Very high	94.7	Very high	9 Å²	9	60.2 Å²	60.2	4%	0.035	32%	0.319	C	S	.	.	H	α-helix	trans	-68.2	-38.2	-177	84.3	-113.4	0	0	0	112.4	A105 A109 A112 S161 T162 L169 R228	A105-Y165 VanDerWaalsContact O-CB 3.24Å; A105-Y165 WeakPolarHBondContact O-CB 3.43Å; A109-Y165 HydrophobicContact CB-CD1 4.16Å; A109-Y165 HydrophobicContact CB-CD2 4.37Å; A109-Y165 HydrophobicContact CB-CG 4.05Å; A112-Y165 HydrophobicContact CB-CD1 4.3Å; A112-Y165 HydrophobicContact CB-CE1 4Å; S161-Y165 WeakPolarHBondContact O-CD1 3.43Å; S161-Y165 PolarHBondContact O-N 3.44Å; T162-Y165 VanDerWaalsContact CA-CD1 3.47Å; T162-Y165 HydrophobicContact CG2-CE1 3.9Å; Y165-L169 WeakPolarHBondContact O-CB 3.47Å; Y165-L169 PolarHBondContact O-N 3.11Å; Y165-R228 PolarHBondContact OH-NH1 3.49Å; Y165-R228 VanDerWaalsContact OH-NH1 3.14Å
166	I	93.9	Very high	94.7	Very high	98 Å²	98	55.3 Å²	55.3	50%	0.503	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-44.8	179.4	-68.2	175	0	0	0	110	T162 F163 L164 G170	T162-I166 HydrophobicContact CG2-CD1 3.61Å; T162-I166 HydrophobicContact CG2-CG1 4.37Å; T162-I166 WeakPolarHBondContact O-CB 3.24Å; T162-I166 WeakPolarHBondContact O-CG1 3.43Å; T162-I166 PolarHBondContact O-N 3.35Å; T162-I166 VanDerWaalsContact O-N 3.11Å; F163-I166 PolarHBondContact O-N 3.4Å; L164-I166 PolarHBondContact O-N 3.35Å; I166-G170 PolarHBondContact O-N 3.3Å
167	G	94.4	Very high	94.6	Very high	41 Å²	41	49.3 Å²	49.3	42%	0.423	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-53.9	178.3	0	0	0	0	0	112.4	F163 L164 L169 G170 S171	F163-G167 PolarHBondContact O-N 2.97Å; L164-G167 PolarHBondContact O-N 3.47Å; G167-L169 PolarHBondContact O-N 2.99Å; G167-G170 PolarHBondContact O-N 3.29Å; G167-S171 PolarHBondContact O-N 3.49Å; G167-S171 PolarHBondContact O-OG 3.05Å
168	L	95.1	Very high	94.6	Very high	48 Å²	48	53.1 Å²	53.1	25%	0.251	28%	0.278	S	S	.	.	H	α-helix	trans	-59.9	-48.3	-179.1	-67.7	172	0	0	0	111.6	Y101 A105 L164 G170 S171 V172	Y101-L168 HydrophobicContact CD1-CD2 3.78Å; A105-L168 HydrophobicContact CB-CB 3.92Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.33Å; L164-L168 PolarHBondContact O-N 2.77Å; L168-G170 VanDerWaalsContact C-N 3.29Å; L168-G170 PolarHBondContact O-N 3.5Å; L168-S171 PolarHBondContact O-N 2.98Å; L168-V172 VanDerWaalsContact O-CG2 3.32Å; L168-V172 WeakPolarHBondContact O-CG2 3.5Å; L168-V172 PolarHBondContact O-N 2.94Å
169	L	94.5	Very high	94.5	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-67.1	-32.1	179.8	-170.1	61	0	0	0	112.3	L102 A105 Y165 G167 G173 F219 K220 I223	L102-L169 HydrophobicContact CD1-CD1 3.84Å; A105-L169 HydrophobicContact CB-CB 4.03Å; Y165-L169 WeakPolarHBondContact O-CB 3.47Å; Y165-L169 PolarHBondContact O-N 3.11Å; G167-L169 PolarHBondContact O-N 2.99Å; L169-G173 PolarHBondContact O-N 2.83Å; L169-F219 HydrophobicContact CD1-CE1 4.26Å; L169-K220 HydrophobicContact CD2-CB 4.21Å; L169-K220 VanDerWaalsContact CD2-O 3.24Å; L169-K220 WeakPolarHBondContact CD2-O 3.37Å; L169-K220 HydrophobicContact CG-CB 4.25Å; L169-K220 HydrophobicContact CG-CG 4.08Å; L169-I223 HydrophobicContact CD1-CB 4.13Å; L169-I223 HydrophobicContact CD1-CD1 4.23Å; L169-I223 HydrophobicContact CD1-CG2 4.03Å; L169-I223 HydrophobicContact CD2-CB 4.08Å; L169-I223 HydrophobicContact CD2-CG2 4.14Å
170	G	94.1	Very high	94.5	Very high	19 Å²	19	50 Å²	50	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-51.8	169.8	0	0	0	0	0	111.6	I166 G167 L168 G173 E174	I166-G170 PolarHBondContact O-N 3.3Å; G167-G170 PolarHBondContact O-N 3.29Å; L168-G170 VanDerWaalsContact C-N 3.29Å; L168-G170 PolarHBondContact O-N 3.5Å; G170-G173 PolarHBondContact O-N 3.22Å; G170-E174 PolarHBondContact O-N 3.45Å
171	S	94.5	Very high	94.5	Very high	57 Å²	57	49.5 Å²	49.5	40%	0.399	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-44.9	178.5	-57.9	0	0	0	0	112.9	G167 L168 G173 E174 R175	G167-S171 PolarHBondContact O-N 3.49Å; G167-S171 PolarHBondContact O-OG 3.05Å; L168-S171 PolarHBondContact O-N 2.98Å; S171-G173 VanDerWaalsContact C-N 3.31Å; S171-G173 PolarHBondContact O-N 3.44Å; S171-E174 PolarHBondContact O-N 3.48Å; S171-R175 WeakPolarHBondContact O-CG 3.07Å; S171-R175 PolarHBondContact O-N 2.89Å
172	V	95.2	Very high	94.4	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-57.4	-46.6	175.2	175.6	0	0	0	0	110.3	D98 L102 L168 E174 R175 M176 F219	D98-V172 HydrophobicContact CB-CG1 4.16Å; D98-V172 HydrophobicContact CB-CG2 4.17Å; L102-V172 HydrophobicContact CB-CG2 4.45Å; L102-V172 HydrophobicContact CD1-CG1 4.5Å; L168-V172 VanDerWaalsContact O-CG2 3.32Å; L168-V172 WeakPolarHBondContact O-CG2 3.5Å; L168-V172 PolarHBondContact O-N 2.94Å; V172-E174 PolarHBondContact O-N 3.48Å; V172-R175 PolarHBondContact O-N 3.39Å; V172-M176 WeakPolarHBondContact O-CB 3.48Å; V172-M176 PolarHBondContact O-N 3.4Å; V172-F219 HydrophobicContact CG1-CE1 4.26Å
173	G	94.9	Very high	94.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-40.5	179.3	0	0	0	0	0	113.9	L169 G170 S171 A177 K216	L169-G173 PolarHBondContact O-N 2.83Å; G170-G173 PolarHBondContact O-N 3.22Å; S171-G173 VanDerWaalsContact C-N 3.31Å; S171-G173 PolarHBondContact O-N 3.44Å; G173-A177 WeakPolarHBondContact O-CB 3.45Å; G173-A177 PolarHBondContact O-N 3Å; G173-K216 WeakPolarHBondContact O-CD 3.34Å; G173-K216 WeakPolarHBondContact O-CG 3.44Å
174	E	94.8	Very high	94.1	Very high	88 Å²	88	43 Å²	43	41%	0.411	21%	0.213	S	C	.	.	H	α-helix	trans	-71.2	-41.9	177.7	-64.9	-50.4	144.3	0	0	112.7	G170 S171 V172 M176 A177 R178 K216	G170-E174 PolarHBondContact O-N 3.45Å; S171-E174 PolarHBondContact O-N 3.48Å; V172-E174 PolarHBondContact O-N 3.48Å; E174-M176 VanDerWaalsContact C-N 3.31Å; E174-M176 PolarHBondContact O-N 3.11Å; E174-A177 PolarHBondContact O-N 2.98Å; E174-R178 PolarHBondContact O-N 2.95Å; E174-K216 WeakPolarHBondContact OE1-CD 3.35Å; E174-K216 WeakPolarHBondContact OE1-CE 3.33Å; E174-K216 IonicContact OE1-NZ 3.28Å; E174-K216 PolarHBondContact OE1-NZ 3.14Å; E174-K216 IonicContact OE2-NZ 2.72Å; E174-K216 PolarHBondContact OE2-NZ 3.02Å
175	R	94.7	Very high	94.1	Very high	99 Å²	99	45.1 Å²	45.1	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-42.6	175.9	-70.6	177.5	-177.6	179.6	2.9	111.4	D98 S171 V172 R178 R179	D98-R175 WeakPolarHBondContact OD1-CD 3.21Å; D98-R175 IonicContact OD1-CZ 3.7Å; D98-R175 IonicContact OD1-NE 3.79Å; D98-R175 IonicContact OD1-NH1 2.8Å; D98-R175 PolarHBondContact OD1-NH1 3.02Å; S171-R175 WeakPolarHBondContact O-CG 3.07Å; S171-R175 PolarHBondContact O-N 2.89Å; V172-R175 PolarHBondContact O-N 3.39Å; R175-R178 PolarHBondContact O-N 2.99Å; R175-R179 PolarHBondContact O-N 2.75Å; R175-R179 VanDerWaalsContact O-N 3.11Å
176	M	93.5	Very high	94	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-48.9	173.7	173.3	168.3	84.7	0	0	112	L94 V172 E174 R178 R179 M180 F215 F219	L94-M176 HydrophobicContact CD1-CG 3.95Å; L94-M176 HydrophobicContact CD2-CG 3.37Å; L94-M176 HydrophobicContact CD2-SD 3.47Å; L94-M176 WeakPolarHBondContact CD2-SD 3.33Å; L94-M176 HydrophobicContact CG-CB 4.39Å; L94-M176 HydrophobicContact CG-CG 3.5Å; L94-M176 HydrophobicContact CG-SD 3.89Å; V172-M176 WeakPolarHBondContact O-CB 3.48Å; V172-M176 PolarHBondContact O-N 3.4Å; E174-M176 VanDerWaalsContact C-N 3.31Å; E174-M176 PolarHBondContact O-N 3.11Å; M176-R178 VanDerWaalsContact C-N 3.33Å; M176-R178 PolarHBondContact O-N 3.37Å; M176-R179 PolarHBondContact O-N 3.36Å; M176-M180 HydrophobicContact CE-CE 4.19Å; M176-M180 HydrophobicContact CG-CE 3.63Å; M176-M180 PolarHBondContact O-N 3.45Å; M176-M180 HydrophobicContact SD-CE 4.4Å; M176-F215 HydrophobicContact CE-CD1 4Å; M176-F215 HydrophobicContact CE-CE1 3.61Å; M176-F215 HydrophobicContact CE-CZ 4.37Å; M176-F215 HydrophobicContact SD-CE1 3.82Å; M176-F219 HydrophobicContact CE-CB 3.77Å; M176-F219 HydrophobicContact CE-CD1 3.62Å; M176-F219 HydrophobicContact CE-CD2 4.3Å; M176-F219 HydrophobicContact CE-CE1 4.27Å; M176-F219 HydrophobicContact CE-CG 3.63Å; M176-F219 HydrophobicContact SD-CD1 4.38Å; M176-F219 HydrophobicContact SD-CE1 4.49Å; M176-F219 HydrophobicContact SD-CG 4.43Å
177	A	94.9	Very high	93.7	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-39.5	177.5	0	0	0	0	0	112.8	G173 E174 M180 R181 V212 K216	G173-A177 WeakPolarHBondContact O-CB 3.45Å; G173-A177 PolarHBondContact O-N 3Å; E174-A177 PolarHBondContact O-N 2.98Å; A177-M180 PolarHBondContact O-N 3.35Å; A177-R181 WeakPolarHBondContact O-CG 3.41Å; A177-R181 PolarHBondContact O-N 2.93Å; A177-V212 HydrophobicContact CB-CG1 3.72Å; A177-K216 HydrophobicContact CB-CB 4.46Å; A177-K216 HydrophobicContact CB-CD 3.92Å
178	R	95.2	Very high	93.6	Very high	151 Å²	151	40.6 Å²	40.6	57%	0.57	18%	0.184	S	C	*	.	H	α-helix	trans	-58.1	-48.8	173.3	178.4	-176.5	172.6	-84.6	1.1	111.4	E174 R175 M176 R181 I182	E174-R178 PolarHBondContact O-N 2.95Å; R175-R178 PolarHBondContact O-N 2.99Å; M176-R178 VanDerWaalsContact C-N 3.33Å; M176-R178 PolarHBondContact O-N 3.37Å; R178-R181 PolarHBondContact O-N 3.18Å; R178-I182 HydrophobicContact CG-CD1 3.88Å; R178-I182 WeakPolarHBondContact O-CG1 3.26Å; R178-I182 PolarHBondContact O-N 3.19Å; R178-I182 VanDerWaalsContact O-N 3.1Å
179	R	93.5	Very high	93.4	Very high	46 Å²	46	42.5 Å²	42.5	17%	0.174	20%	0.198	C	C	.	.	H	α-helix	trans	-59.6	-47.7	179.1	-70.3	-176.5	-169.4	124.7	18.4	111.6	L94 P97 D98 R175 M176 R181 I182 Q183	L94-R179 HydrophobicContact CD1-CB 3.81Å; L94-R179 PolarHBondContact O-NH1 3.24Å; P97-R179 VanDerWaalsContact CB-NH2 3.33Å; D98-R179 IonicContact OD1-NH2 3.98Å; D98-R179 IonicContact OD2-CZ 3.19Å; D98-R179 IonicContact OD2-NH1 3.46Å; D98-R179 PolarHBondContact OD2-NH1 2.93Å; D98-R179 IonicContact OD2-NH2 2.81Å; D98-R179 PolarHBondContact OD2-NH2 2.85Å; R175-R179 PolarHBondContact O-N 2.75Å; R175-R179 VanDerWaalsContact O-N 3.11Å; M176-R179 PolarHBondContact O-N 3.36Å; R179-R181 PolarHBondContact O-N 2.95Å; R179-I182 PolarHBondContact O-N 3.15Å; R179-Q183 WeakPolarHBondContact O-CB 3.4Å; R179-Q183 VanDerWaalsContact O-CG 3.28Å; R179-Q183 WeakPolarHBondContact O-CG 3.43Å; R179-Q183 PolarHBondContact O-N 2.9Å
180	M	93.6	Very high	93	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-45.5	177.9	-73.2	-172.7	-76.9	0	0	112.3	Y90 L94 M176 A177 I182 Q183 L184 V212 F215 I398	Y90-M180 WeakPolarHBondContact OH-CG 3.48Å; L94-M180 HydrophobicContact CD1-CG 4.12Å; L94-M180 HydrophobicContact CD2-CE 4.36Å; L94-M180 HydrophobicContact CD2-CG 3.94Å; L94-M180 HydrophobicContact CD2-SD 3.97Å; M176-M180 HydrophobicContact CE-CE 4.19Å; M176-M180 HydrophobicContact CG-CE 3.63Å; M176-M180 PolarHBondContact O-N 3.45Å; M176-M180 HydrophobicContact SD-CE 4.4Å; A177-M180 PolarHBondContact O-N 3.35Å; M180-I182 PolarHBondContact O-N 3.38Å; M180-Q183 PolarHBondContact O-N 2.84Å; M180-L184 WeakPolarHBondContact O-CB 3.46Å; M180-L184 VanDerWaalsContact O-CG 3.31Å; M180-L184 WeakPolarHBondContact O-CG 3.39Å; M180-L184 PolarHBondContact O-N 2.91Å; M180-V212 HydrophobicContact CB-CG1 4.25Å; M180-V212 HydrophobicContact CB-CG2 4.07Å; M180-V212 HydrophobicContact CE-CG1 3.93Å; M180-F215 HydrophobicContact CE-CD1 3.54Å; M180-F215 HydrophobicContact CE-CE1 4.02Å; M180-F215 HydrophobicContact SD-CD1 3.66Å; M180-F215 HydrophobicContact SD-CE1 4.01Å; M180-I398 HydrophobicContact SD-CD1 4.2Å
181	R	95.7	Very high	92.8	Very high	91 Å²	91	47.1 Å²	47.1	34%	0.343	21%	0.211	S	C	.	.	H	α-helix	trans	-60.6	-46	179.2	-75.5	173.4	-179.9	160.3	0.5	112.3	A177 R178 R179 F185 I208 V212	A177-R181 WeakPolarHBondContact O-CG 3.41Å; A177-R181 PolarHBondContact O-N 2.93Å; R178-R181 PolarHBondContact O-N 3.18Å; R179-R181 PolarHBondContact O-N 2.95Å; R181-F185 VanDerWaalsContact O-CB 3.23Å; R181-F185 WeakPolarHBondContact O-CB 3.28Å; R181-F185 PolarHBondContact O-N 2.97Å; R181-I208 HydrophobicContact CB-CG2 4.33Å; R181-I208 HydrophobicContact CG-CG2 4.01Å; R181-V212 HydrophobicContact CG-CG1 4.1Å; R181-V212 HydrophobicContact CG-CG2 4.34Å
182	I	93.2	Very high	92.5	Very high	57 Å²	57	46.6 Å²	46.6	29%	0.292	20%	0.203	S	C	.	.	H	α-helix	trans	-66	-43.7	179.4	-66.2	171.2	0	0	0	110.5	R178 R179 M180 F185 R186	R178-I182 HydrophobicContact CG-CD1 3.88Å; R178-I182 WeakPolarHBondContact O-CG1 3.26Å; R178-I182 PolarHBondContact O-N 3.19Å; R178-I182 VanDerWaalsContact O-N 3.1Å; R179-I182 PolarHBondContact O-N 3.15Å; M180-I182 PolarHBondContact O-N 3.38Å; I182-F185 PolarHBondContact O-N 3.23Å; I182-R186 VanDerWaalsContact O-CB 3.24Å; I182-R186 WeakPolarHBondContact O-CB 3.1Å; I182-R186 PolarHBondContact O-N 3.08Å
183	Q	90.7	Very high	92.2	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.028	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-47.8	178.2	-76.2	173.3	-3	0	0	112.4	I79 Y90 R179 M180 R186 K187 L402	I79-Q183 HydrophobicContact CG1-CG 4.42Å; Y90-Q183 PolarHBondContact OH-OE1 3.15Å; R179-Q183 WeakPolarHBondContact O-CB 3.4Å; R179-Q183 VanDerWaalsContact O-CG 3.28Å; R179-Q183 WeakPolarHBondContact O-CG 3.43Å; R179-Q183 PolarHBondContact O-N 2.9Å; M180-Q183 PolarHBondContact O-N 2.84Å; Q183-R186 PolarHBondContact O-N 3.35Å; Q183-K187 WeakPolarHBondContact O-CB 3.5Å; Q183-K187 PolarHBondContact O-N 2.83Å; Q183-L402 HydrophobicContact CB-CD2 4.04Å
184	L	92.6	Very high	91.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-48.2	177.8	-76.1	167.8	0	0	0	110.9	M180 R186 K187 L188 I207 I208 V212 I398 I401 L402	M180-L184 WeakPolarHBondContact O-CB 3.46Å; M180-L184 VanDerWaalsContact O-CG 3.31Å; M180-L184 WeakPolarHBondContact O-CG 3.39Å; M180-L184 PolarHBondContact O-N 2.91Å; L184-R186 PolarHBondContact O-N 2.87Å; L184-K187 PolarHBondContact O-N 3.19Å; L184-L188 WeakPolarHBondContact O-CB 3.41Å; L184-L188 VanDerWaalsContact O-CG 3.26Å; L184-L188 WeakPolarHBondContact O-CG 3.21Å; L184-L188 PolarHBondContact O-N 3.09Å; L184-I207 HydrophobicContact CD1-CG2 4.34Å; L184-I208 HydrophobicContact CB-CG1 4.06Å; L184-I208 HydrophobicContact CD1-CG1 4.46Å; L184-V212 HydrophobicContact CD1-CG2 3.78Å; L184-I398 HydrophobicContact CD1-CG1 4.17Å; L184-I398 HydrophobicContact CD1-CG2 4.06Å; L184-I398 HydrophobicContact CD2-CG2 4.14Å; L184-I398 HydrophobicContact CG-CG2 4.31Å; L184-I401 HydrophobicContact CD2-CB 3.95Å; L184-I401 HydrophobicContact CD2-CG2 3.76Å; L184-L402 HydrophobicContact CD2-CD2 4.08Å; L184-L402 HydrophobicContact CD2-CG 4.01Å; L184-L402 HydrophobicContact CG-CD2 4.44Å
185	F	94	Very high	91.6	Very high	129 Å²	129	47 Å²	47	57%	0.566	21%	0.211	S	C	*	.	H	α-helix	trans	-59.6	-48.8	179.1	-177.9	-102.9	0	0	0	111.4	R181 I182 K187 L188 V189	R181-F185 VanDerWaalsContact O-CB 3.23Å; R181-F185 WeakPolarHBondContact O-CB 3.28Å; R181-F185 PolarHBondContact O-N 2.97Å; I182-F185 PolarHBondContact O-N 3.23Å; F185-K187 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 3.17Å; F185-L188 PolarHBondContact O-N 3.26Å; F185-V189 HydrophobicContact CD1-CG2 4.31Å; F185-V189 HydrophobicContact CD2-CG2 4.26Å; F185-V189 HydrophobicContact CE1-CG2 3.91Å; F185-V189 HydrophobicContact CE2-CG2 3.86Å; F185-V189 HydrophobicContact CG-CG2 4.47Å; F185-V189 HydrophobicContact CZ-CG2 3.67Å; F185-V189 WeakPolarHBondContact O-CG2 3.14Å; F185-V189 PolarHBondContact O-N 2.97Å
186	R	90.8	Very high	91.4	Very high	38 Å²	38	46.1 Å²	46.1	14%	0.143	21%	0.211	C	C	.	.	H	α-helix	trans	-57.6	-48.2	175.8	-175	174	178.3	-176.7	-4.3	110.7	T76 I182 Q183 L184 L188 V189 Y190	T76-R186 PolarHBondContact OG1-NH2 3.4Å; I182-R186 VanDerWaalsContact O-CB 3.24Å; I182-R186 WeakPolarHBondContact O-CB 3.1Å; I182-R186 PolarHBondContact O-N 3.08Å; Q183-R186 PolarHBondContact O-N 3.35Å; L184-R186 PolarHBondContact O-N 2.87Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.37Å; R186-V189 PolarHBondContact O-N 3.38Å; R186-Y190 HydrophobicContact CG-CD2 4.02Å; R186-Y190 HydrophobicContact CG-CE2 4.01Å; R186-Y190 VanDerWaalsContact O-CD2 3.22Å; R186-Y190 WeakPolarHBondContact O-CD2 3.44Å; R186-Y190 PolarHBondContact O-N 2.9Å
187	K	88.2	Confident	91.1	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.017	23%	0.227	C	C	.	.	H	α-helix	trans	-60.2	-42	-179.2	-175.2	64.8	176.2	-177	0	112.4	Q183 L184 F185 I401 L402 L404 S406	Q183-K187 WeakPolarHBondContact O-CB 3.5Å; Q183-K187 PolarHBondContact O-N 2.83Å; L184-K187 PolarHBondContact O-N 3.19Å; F185-K187 VanDerWaalsContact C-N 3.34Å; F185-K187 PolarHBondContact O-N 3.17Å; K187-I401 HydrophobicContact CG-CG2 4.41Å; K187-L402 HydrophobicContact CB-CD2 4.16Å; K187-L402 WeakPolarHBondContact CE-O 3.24Å; K187-L402 HydrophobicContact CG-CD2 4.39Å; K187-L404 WeakPolarHBondContact CE-O 3.21Å; K187-L404 PolarHBondContact NZ-O 2.81Å; K187-S406 PolarHBondContact NZ-OG 3.44Å
188	L	91.7	Very high	90.7	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-71.8	-42.8	-178.4	-72.4	166.5	0	0	0	112.3	L184 F185 R186 Y190 Q191 Y195 F196 L204 I208 I401	L184-L188 WeakPolarHBondContact O-CB 3.41Å; L184-L188 VanDerWaalsContact O-CG 3.26Å; L184-L188 WeakPolarHBondContact O-CG 3.21Å; L184-L188 PolarHBondContact O-N 3.09Å; F185-L188 PolarHBondContact O-N 3.26Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 3.37Å; L188-Y190 PolarHBondContact O-N 3.41Å; L188-Q191 VanDerWaalsContact O-CB 3.23Å; L188-Q191 WeakPolarHBondContact O-CB 3.35Å; L188-Q191 PolarHBondContact O-N 2.86Å; L188-Y195 HydrophobicContact CD2-CE1 3.77Å; L188-F196 VanDerWaalsContact O-CZ 3.23Å; L188-F196 WeakPolarHBondContact O-CZ 3.13Å; L188-L204 HydrophobicContact CD1-CB 4.36Å; L188-L204 HydrophobicContact CD2-CD1 4.19Å; L188-L204 HydrophobicContact CD2-CD2 3.89Å; L188-I208 HydrophobicContact CD1-CD1 3.84Å; L188-I208 HydrophobicContact CD1-CG1 4.23Å; L188-I401 HydrophobicContact CD2-CD1 4.44Å; L188-I401 HydrophobicContact CD2-CG2 3.8Å; L188-I401 HydrophobicContact CG-CG2 4.01Å
189	V	90.2	Very high	90.3	Very high	89 Å²	89	49.2 Å²	49.2	54%	0.539	24%	0.24	S	C	.	.	H	α-helix	trans	-64.1	-29	-180	172.2	0	0	0	0	112.4	F185 R186 Q191	F185-V189 HydrophobicContact CD1-CG2 4.31Å; F185-V189 HydrophobicContact CD2-CG2 4.26Å; F185-V189 HydrophobicContact CE1-CG2 3.91Å; F185-V189 HydrophobicContact CE2-CG2 3.86Å; F185-V189 HydrophobicContact CG-CG2 4.47Å; F185-V189 HydrophobicContact CZ-CG2 3.67Å; F185-V189 WeakPolarHBondContact O-CG2 3.14Å; F185-V189 PolarHBondContact O-N 2.97Å; R186-V189 PolarHBondContact O-N 3.38Å; V189-Q191 VanDerWaalsContact C-N 3.29Å
190	Y	87.4	Confident	90	Very high	93 Å²	93	50.6 Å²	50.6	37%	0.365	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	8.5	174.3	-75.7	-70.6	0	0	0	114.1	R186 L188 G407 I411	R186-Y190 HydrophobicContact CG-CD2 4.02Å; R186-Y190 HydrophobicContact CG-CE2 4.01Å; R186-Y190 VanDerWaalsContact O-CD2 3.22Å; R186-Y190 WeakPolarHBondContact O-CD2 3.44Å; R186-Y190 PolarHBondContact O-N 2.9Å; L188-Y190 PolarHBondContact O-N 3.41Å; Y190-G407 PolarHBondContact O-N 3.31Å; Y190-I411 HydrophobicContact CD1-CG1 4.5Å; Y190-I411 HydrophobicContact CD2-CG1 3.92Å; Y190-I411 HydrophobicContact CE2-CG1 4.41Å; Y190-I411 HydrophobicContact CG-CG1 4Å
191	Q	89.1	Confident	89.7	Confident	27 Å²	27	54.8 Å²	54.8	13%	0.126	29%	0.286	C	S	.	.	S	Bend	trans	-88.5	151.6	178	-161.6	63.2	-10.3	0	0	111.9	L188 V189 Y195 F196 P405	L188-Q191 VanDerWaalsContact O-CB 3.23Å; L188-Q191 WeakPolarHBondContact O-CB 3.35Å; L188-Q191 PolarHBondContact O-N 2.86Å; V189-Q191 VanDerWaalsContact C-N 3.29Å; Q191-Y195 HydrophobicContact CB-CD1 4.39Å; Q191-Y195 VanDerWaalsContact CG-CB 3.46Å; Q191-Y195 HydrophobicContact CG-CD1 3.75Å; Q191-Y195 HydrophobicContact CG-CD2 4.14Å; Q191-Y195 HydrophobicContact CG-CG 3.51Å; Q191-F196 HydrophobicContact CB-CE2 4.19Å; Q191-P405 PolarHBondContact NE2-O 2.66Å; Q191-P405 PolarHBondContact OE1-O 2.66Å; Q191-P405 VanDerWaalsContact OE1-O 3.07Å
192	D	87.9	Confident	89.3	Confident	46 Å²	46	52.7 Å²	52.7	25%	0.246	29%	0.292	C	S	.	.			trans	-65.9	153.3	-179.6	-61.3	-39.7	0	0	0	112.8	A194 Y195 F196 G407 I408	D192-A194 PolarHBondContact O-N 3.33Å; D192-Y195 VanDerWaalsContact O-CB 3.25Å; D192-Y195 WeakPolarHBondContact O-CB 3.34Å; D192-Y195 PolarHBondContact O-N 3.31Å; D192-F196 WeakPolarHBondContact O-CD2 3.33Å; D192-G407 WeakPolarHBondContact OD1-CA 3.49Å; D192-G407 WeakPolarHBondContact OD2-CA 3.43Å; D192-I408 WeakPolarHBondContact OD1-CB 3.35Å; D192-I408 WeakPolarHBondContact OD1-CG1 3.45Å; D192-I408 PolarHBondContact OD1-N 3.25Å; D192-I408 PolarHBondContact OD2-N 3.04Å
193	V	89.3	Confident	89	Confident	46 Å²	46	55 Å²	55	28%	0.279	30%	0.3	S	S	.	.	H	α-helix	trans	-58.8	-36.4	177	-177.5	0	0	0	0	111.2	Y195 F196 D197 F493 Y494	V193-Y195 PolarHBondContact O-N 3.31Å; V193-F196 WeakPolarHBondContact O-CA 3.16Å; V193-F196 PolarHBondContact O-N 3.44Å; V193-D197 PolarHBondContact O-N 3.42Å; V193-F493 HydrophobicContact CB-CB 4.19Å; V193-F493 HydrophobicContact CG2-CB 3.93Å; V193-F493 HydrophobicContact CG2-CD1 3.58Å; V193-F493 HydrophobicContact CG2-CE1 4.25Å; V193-F493 HydrophobicContact CG2-CG 3.79Å; V193-Y494 WeakPolarHBondContact CG1-OH 3.37Å
194	A	88.1	Confident	89.1	Confident	25 Å²	25	55.2 Å²	55.2	21%	0.207	30%	0.301	C	S	.	.	H	α-helix	trans	-52.6	-30.4	173.8	0	0	0	0	0	113.8	D192 D197 P452 Y494	D192-A194 PolarHBondContact O-N 3.33Å; A194-D197 WeakPolarHBondContact CA-OD2 3.04Å; A194-P452 HydrophobicContact CB-CG 4.09Å; A194-Y494 HydrophobicContact CB-CD1 4.14Å; A194-Y494 HydrophobicContact CB-CE1 3.86Å
195	Y	88.7	Confident	89.1	Confident	28 Å²	28	60 Å²	60	11%	0.11	33%	0.33	C	S	.	.	H	α-helix	trans	-70	-42.7	174.9	179.5	-98.4	0	0	0	111.8	L188 Q191 D192 V193 D197 V198 H199 L204 L404	L188-Y195 HydrophobicContact CD2-CE1 3.77Å; Q191-Y195 HydrophobicContact CB-CD1 4.39Å; Q191-Y195 VanDerWaalsContact CG-CB 3.46Å; Q191-Y195 HydrophobicContact CG-CD1 3.75Å; Q191-Y195 HydrophobicContact CG-CD2 4.14Å; Q191-Y195 HydrophobicContact CG-CG 3.51Å; D192-Y195 VanDerWaalsContact O-CB 3.25Å; D192-Y195 WeakPolarHBondContact O-CB 3.34Å; D192-Y195 PolarHBondContact O-N 3.31Å; V193-Y195 PolarHBondContact O-N 3.31Å; Y195-D197 VanDerWaalsContact C-N 3.32Å; Y195-V198 PolarHBondContact O-N 3.14Å; Y195-H199 HydrophobicContact CD1-CB 4.48Å; Y195-H199 AromaticContact CD2-CE1 3.7Å; Y195-H199 AromaticContact CD2-ND1 3.52Å; Y195-H199 HydrophobicContact CE1-CB 4.11Å; Y195-H199 AromaticContact CE2-CE1 3.36Å; Y195-H199 WeakPolarHBondContact CE2-CE1 3.46Å; Y195-H199 AromaticContact CE2-CG 3.88Å; Y195-H199 AromaticContact CE2-ND1 3.39Å; Y195-H199 WeakPolarHBondContact CE2-ND1 3.27Å; Y195-H199 AromaticContact CE2-NE2 3.81Å; Y195-H199 AromaticContact CG-ND1 3.95Å; Y195-H199 AromaticContact CZ-CD2 3.97Å; Y195-H199 AromaticContact CZ-CE1 3.98Å; Y195-H199 AromaticContact CZ-CG 3.72Å; Y195-H199 AromaticContact CZ-ND1 3.72Å; Y195-H199 WeakPolarHBondContact O-CB 3.42Å; Y195-H199 PolarHBondContact O-N 3.06Å; Y195-H199 PolarHBondContact O-ND1 3.28Å; Y195-L204 HydrophobicContact CE1-CD1 4.08Å; Y195-L204 HydrophobicContact CE1-CD2 3.94Å; Y195-L404 HydrophobicContact CD2-CD1 4.16Å; Y195-L404 HydrophobicContact CE2-CD1 3.45Å; Y195-L404 VanDerWaalsContact CE2-CD1 3.45Å; Y195-L404 HydrophobicContact CE2-CD2 4.29Å
196	F	91.4	Very high	89	Confident	81 Å²	81	59.1 Å²	59.1	36%	0.355	33%	0.328	S	S	.	.	H	α-helix	trans	-73.2	-22.5	179.7	-66.8	-78.8	0	0	0	113.2	L188 Q191 D192 V193 V198 H199 L204	L188-F196 VanDerWaalsContact O-CZ 3.23Å; L188-F196 WeakPolarHBondContact O-CZ 3.13Å; Q191-F196 HydrophobicContact CB-CE2 4.19Å; D192-F196 WeakPolarHBondContact O-CD2 3.33Å; V193-F196 WeakPolarHBondContact O-CA 3.16Å; V193-F196 PolarHBondContact O-N 3.44Å; F196-V198 PolarHBondContact O-N 2.68Å; F196-H199 VanDerWaalsContact O-O 3.06Å; F196-L204 HydrophobicContact CD1-CD1 3.71Å; F196-L204 HydrophobicContact CE1-CD1 3.47Å; F196-L204 VanDerWaalsContact CE1-CD1 3.47Å
197	D	88.1	Confident	89.2	Confident	66 Å²	66	57.8 Å²	57.8	35%	0.353	32%	0.323	S	S	.	.	H	α-helix	trans	-67.5	-26.5	173.1	-63.4	-28.3	0	0	0	113	V193 A194 Y195 Y494	V193-D197 PolarHBondContact O-N 3.42Å; A194-D197 WeakPolarHBondContact CA-OD2 3.04Å; Y195-D197 VanDerWaalsContact C-N 3.32Å; D197-Y494 WeakPolarHBondContact OD2-CE1 3.22Å; D197-Y494 PolarHBondContact OD2-OH 3.3Å
198	V	85.5	Confident	89.5	Confident	94 Å²	94	59.4 Å²	59.4	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-100.7	-32.4	-179.6	-179.4	0	0	0	0	111.3	Y195 F196 N453	Y195-V198 PolarHBondContact O-N 3.14Å; F196-V198 PolarHBondContact O-N 2.68Å; V198-N453 HydrophobicContact CG2-CB 4.09Å
199	H	86.2	Confident	89.6	Confident	58 Å²	58	60.4 Å²	60.4	27%	0.269	35%	0.345	S	S	.	.	S	Bend	trans	-104.1	118.4	-176.2	-63.2	81.9	0	0	0	111.2	Y195 F196 S201 L204	Y195-H199 HydrophobicContact CD1-CB 4.48Å; Y195-H199 AromaticContact CD2-CE1 3.7Å; Y195-H199 AromaticContact CD2-ND1 3.52Å; Y195-H199 HydrophobicContact CE1-CB 4.11Å; Y195-H199 AromaticContact CE2-CE1 3.36Å; Y195-H199 WeakPolarHBondContact CE2-CE1 3.46Å; Y195-H199 AromaticContact CE2-CG 3.88Å; Y195-H199 AromaticContact CE2-ND1 3.39Å; Y195-H199 WeakPolarHBondContact CE2-ND1 3.27Å; Y195-H199 AromaticContact CE2-NE2 3.81Å; Y195-H199 AromaticContact CG-ND1 3.95Å; Y195-H199 AromaticContact CZ-CD2 3.97Å; Y195-H199 AromaticContact CZ-CE1 3.98Å; Y195-H199 AromaticContact CZ-CG 3.72Å; Y195-H199 AromaticContact CZ-ND1 3.72Å; Y195-H199 WeakPolarHBondContact O-CB 3.42Å; Y195-H199 PolarHBondContact O-N 3.06Å; Y195-H199 PolarHBondContact O-ND1 3.28Å; F196-H199 VanDerWaalsContact O-O 3.06Å; H199-S201 PolarHBondContact O-N 3.03Å; H199-L204 HydrophobicContact CB-CD2 4.48Å
200	S	87.3	Confident	89.8	Confident	74 Å²	74	58.5 Å²	58.5	52%	0.517	34%	0.336	S	S	.	.			trans	-61.7	136.7	175.8	65.5	0	0	0	0	111.7	G202 K203 L204	S200-G202 PolarHBondContact O-N 2.94Å; S200-K203 PolarHBondContact O-N 3.41Å; S200-K203 VanDerWaalsContact O-N 3.13Å; S200-K203 WeakPolarHBondContact OG-CB 3.47Å; S200-K203 PolarHBondContact OG-N 2.93Å; S200-L204 PolarHBondContact O-N 3.26Å
201	S	87.6	Confident	90.2	Very high	89 Å²	89	54.2 Å²	54.2	62%	0.622	32%	0.319	S	S	*	.	H	α-helix	trans	-56.5	-38.6	175.7	55.5	0	0	0	0	111.9	H199 K203 L204 V205	H199-S201 PolarHBondContact O-N 3.03Å; S201-K203 VanDerWaalsContact C-N 3.34Å; S201-K203 PolarHBondContact O-N 3.19Å; S201-L204 PolarHBondContact O-N 3.22Å; S201-L204 VanDerWaalsContact O-N 3.15Å; S201-V205 WeakPolarHBondContact O-CG2 3.4Å; S201-V205 PolarHBondContact O-N 3.4Å
202	G	86.9	Confident	90.5	Very high	46 Å²	46	53 Å²	53	47%	0.474	31%	0.313	S	S	.	.	H	α-helix	trans	-57.3	-42.2	176.3	0	0	0	0	0	113.4	S200 L204 V205 E206	S200-G202 PolarHBondContact O-N 2.94Å; G202-L204 PolarHBondContact O-N 3.47Å; G202-V205 PolarHBondContact O-N 3.44Å; G202-E206 PolarHBondContact O-N 2.94Å
203	K	88.3	Confident	91	Very high	105 Å²	105	54.4 Å²	54.4	46%	0.457	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-39.1	176.7	-176.5	178.2	179.6	-177.9	0	111.8	S200 S201 E206 I207	S200-K203 PolarHBondContact O-N 3.41Å; S200-K203 VanDerWaalsContact O-N 3.13Å; S200-K203 WeakPolarHBondContact OG-CB 3.47Å; S200-K203 PolarHBondContact OG-N 2.93Å; S201-K203 VanDerWaalsContact C-N 3.34Å; S201-K203 PolarHBondContact O-N 3.19Å; K203-E206 PolarHBondContact O-N 2.92Å; K203-I207 HydrophobicContact CG-CD1 4.38Å; K203-I207 WeakPolarHBondContact O-CG1 3.35Å; K203-I207 PolarHBondContact O-N 3.47Å; K203-I207 VanDerWaalsContact O-N 3.1Å
204	L	92.5	Very high	91.3	Very high	11 Å²	11	55.2 Å²	55.2	6%	0.058	32%	0.321	C	S	.	.	H	α-helix	trans	-67.4	-39.3	177.8	-59.5	176.8	0	0	0	111.6	L188 Y195 F196 H199 S200 S201 G202 I207 I208 I401	L188-L204 HydrophobicContact CD1-CB 4.36Å; L188-L204 HydrophobicContact CD2-CD1 4.19Å; L188-L204 HydrophobicContact CD2-CD2 3.89Å; Y195-L204 HydrophobicContact CE1-CD1 4.08Å; Y195-L204 HydrophobicContact CE1-CD2 3.94Å; F196-L204 HydrophobicContact CD1-CD1 3.71Å; F196-L204 HydrophobicContact CE1-CD1 3.47Å; F196-L204 VanDerWaalsContact CE1-CD1 3.47Å; H199-L204 HydrophobicContact CB-CD2 4.48Å; S200-L204 PolarHBondContact O-N 3.26Å; S201-L204 PolarHBondContact O-N 3.22Å; S201-L204 VanDerWaalsContact O-N 3.15Å; G202-L204 PolarHBondContact O-N 3.47Å; L204-I207 PolarHBondContact O-N 2.81Å; L204-I208 WeakPolarHBondContact O-CG1 3.28Å; L204-I208 PolarHBondContact O-N 2.99Å; L204-I208 VanDerWaalsContact O-N 3.12Å; L204-I401 HydrophobicContact CD2-CD1 4.1Å
205	V	92.7	Very high	91.7	Very high	101 Å²	101	54.6 Å²	54.6	61%	0.612	31%	0.314	S	S	*	.	H	α-helix	trans	-63.7	-42	173.9	172.6	0	0	0	0	111.1	S201 G202 I207 I208 G209	S201-V205 WeakPolarHBondContact O-CG2 3.4Å; S201-V205 PolarHBondContact O-N 3.4Å; G202-V205 PolarHBondContact O-N 3.44Å; V205-I207 VanDerWaalsContact C-N 3.27Å; V205-I207 PolarHBondContact O-N 2.8Å; V205-I208 PolarHBondContact O-N 2.98Å; V205-G209 PolarHBondContact O-N 2.79Å
206	E	91.6	Very high	92	Very high	111 Å²	111	53.6 Å²	53.6	52%	0.519	31%	0.31	S	S	.	.	H	α-helix	trans	-59.1	-39.6	174.8	-172.5	-179	-174.8	0	0	111.6	G202 K203 G209 S210 D211	G202-E206 PolarHBondContact O-N 2.94Å; K203-E206 PolarHBondContact O-N 2.92Å; E206-G209 PolarHBondContact O-N 2.61Å; E206-S210 WeakPolarHBondContact O-CA 3.06Å; E206-S210 VanDerWaalsContact O-CB 3.28Å; E206-S210 WeakPolarHBondContact O-CB 3.43Å; E206-S210 PolarHBondContact O-N 3.2Å; E206-D211 PolarHBondContact O-N 3.24Å; E206-D211 VanDerWaalsContact O-N 3.09Å
207	I	93.7	Very high	92.2	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.046	31%	0.305	C	S	.	.	I	π-helix	trans	-67.3	-46.6	179.2	-65.9	165.7	0	0	0	111.3	L184 K203 L204 V205 G209 D211 V212 I398 I401	L184-I207 HydrophobicContact CD1-CG2 4.34Å; K203-I207 HydrophobicContact CG-CD1 4.38Å; K203-I207 WeakPolarHBondContact O-CG1 3.35Å; K203-I207 PolarHBondContact O-N 3.47Å; K203-I207 VanDerWaalsContact O-N 3.1Å; L204-I207 PolarHBondContact O-N 2.81Å; V205-I207 VanDerWaalsContact C-N 3.27Å; V205-I207 PolarHBondContact O-N 2.8Å; I207-G209 VanDerWaalsContact C-N 3.32Å; I207-G209 PolarHBondContact O-N 2.91Å; I207-D211 HydrophobicContact CG2-CB 4.4Å; I207-D211 WeakPolarHBondContact O-CB 3.43Å; I207-V212 PolarHBondContact O-N 2.9Å; I207-I398 HydrophobicContact CG2-CG1 4.02Å; I207-I401 HydrophobicContact CB-CD1 4.34Å; I207-I401 HydrophobicContact CD1-CD1 3.57Å; I207-I401 HydrophobicContact CG2-CD1 3.91Å
208	I	95.2	Very high	92.5	Very high	38 Å²	38	48.6 Å²	48.6	20%	0.195	29%	0.29	C	S	.	.	I	π-helix	trans	-64.7	-37.3	178.1	-63.2	174.2	0	0	0	111.5	R181 L184 L188 L204 V205 V212	R181-I208 HydrophobicContact CB-CG2 4.33Å; R181-I208 HydrophobicContact CG-CG2 4.01Å; L184-I208 HydrophobicContact CB-CG1 4.06Å; L184-I208 HydrophobicContact CD1-CG1 4.46Å; L188-I208 HydrophobicContact CD1-CD1 3.84Å; L188-I208 HydrophobicContact CD1-CG1 4.23Å; L204-I208 WeakPolarHBondContact O-CG1 3.28Å; L204-I208 PolarHBondContact O-N 2.99Å; L204-I208 VanDerWaalsContact O-N 3.12Å; V205-I208 PolarHBondContact O-N 2.98Å; I208-V212 WeakPolarHBondContact O-CB 3.34Å; I208-V212 WeakPolarHBondContact O-CG2 3.44Å
209	G	93.4	Very high	92.9	Very high	32 Å²	32	45.1 Å²	45.1	33%	0.33	27%	0.268	S	S	.	.	I	π-helix	trans	-86.7	-73.2	-176.7	0	0	0	0	0	113.6	V205 E206 I207 Q213	V205-G209 PolarHBondContact O-N 2.79Å; E206-G209 PolarHBondContact O-N 2.61Å; I207-G209 VanDerWaalsContact C-N 3.32Å; I207-G209 PolarHBondContact O-N 2.91Å; G209-Q213 WeakPolarHBondContact O-CB 3.16Å; G209-Q213 PolarHBondContact O-N 3.45Å
210	S	94.4	Very high	93.3	Very high	49 Å²	49	45 Å²	45	34%	0.343	27%	0.267	S	S	.	.	I	π-helix	trans	-73.1	-48.2	-171.2	-175.1	0	0	0	0	112.3	E206 V212 Q213 N214	E206-S210 WeakPolarHBondContact O-CA 3.06Å; E206-S210 VanDerWaalsContact O-CB 3.28Å; E206-S210 WeakPolarHBondContact O-CB 3.43Å; E206-S210 PolarHBondContact O-N 3.2Å; S210-V212 PolarHBondContact O-N 3.27Å; S210-Q213 CarbonylContact O-C 3.54Å; S210-Q213 WeakPolarHBondContact O-CA 3.01Å; S210-Q213 WeakPolarHBondContact O-CB 3.32Å; S210-Q213 PolarHBondContact O-N 3.02Å; S210-Q213 VanDerWaalsContact O-N 3.1Å; S210-N214 WeakPolarHBondContact O-CB 3.24Å; S210-N214 VanDerWaalsContact O-CG 3.24Å; S210-N214 PolarHBondContact O-N 3.45Å; S210-N214 PolarHBondContact O-ND2 2.84Å; S210-N214 PolarHBondContact OG-ND2 2.81Å
211	D	95.7	Very high	93.5	Very high	3 Å²	3	44 Å²	44	2%	0.016	25%	0.253	C	S	.	.	I	π-helix	trans	-67.4	-41.3	-176.7	-78.7	-16.7	0	0	0	112.5	E206 I207 Q213 N214 F215 A394 R397 I398	E206-D211 PolarHBondContact O-N 3.24Å; E206-D211 VanDerWaalsContact O-N 3.09Å; I207-D211 HydrophobicContact CG2-CB 4.4Å; I207-D211 WeakPolarHBondContact O-CB 3.43Å; D211-Q213 PolarHBondContact O-N 3.38Å; D211-N214 PolarHBondContact O-N 2.97Å; D211-F215 WeakPolarHBondContact O-CB 3.26Å; D211-F215 PolarHBondContact O-N 2.72Å; D211-A394 HydrophobicContact CB-CB 3.93Å; D211-R397 IonicContact OD1-CZ 2.67Å; D211-R397 IonicContact OD1-NE 2.61Å; D211-R397 IonicContact OD1-NH2 3.96Å; D211-R397 PolarHBondContact OD1-NH2 2.96Å; D211-R397 IonicContact OD2-CZ 3.2Å; D211-R397 IonicContact OD2-NE 2.8Å; D211-R397 PolarHBondContact OD2-NE 2.73Å; D211-R397 IonicContact OD2-NH2 2.66Å; D211-R397 PolarHBondContact OD2-NH2 2.9Å; D211-I398 HydrophobicContact CB-CD1 4.27Å; D211-I398 HydrophobicContact CB-CG1 4.32Å
212	V	97	Very high	93.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-58.2	-41.1	171.8	172.3	0	0	0	0	110.9	A177 M180 R181 L184 I207 I208 S210 K216 I398	A177-V212 HydrophobicContact CB-CG1 3.72Å; M180-V212 HydrophobicContact CB-CG1 4.25Å; M180-V212 HydrophobicContact CB-CG2 4.07Å; M180-V212 HydrophobicContact CE-CG1 3.93Å; R181-V212 HydrophobicContact CG-CG1 4.1Å; R181-V212 HydrophobicContact CG-CG2 4.34Å; L184-V212 HydrophobicContact CD1-CG2 3.78Å; I207-V212 PolarHBondContact O-N 2.9Å; I208-V212 WeakPolarHBondContact O-CB 3.34Å; I208-V212 WeakPolarHBondContact O-CG2 3.44Å; S210-V212 PolarHBondContact O-N 3.27Å; V212-K216 VanDerWaalsContact O-CB 3.26Å; V212-K216 WeakPolarHBondContact O-CB 3.37Å; V212-K216 PolarHBondContact O-N 3.33Å; V212-I398 HydrophobicContact CG2-CD1 3.91Å
213	Q	96.5	Very high	93.9	Very high	76 Å²	76	41.6 Å²	41.6	36%	0.355	23%	0.226	S	C	.	.	H	α-helix	trans	-66.6	-43	177.3	179	64.2	28.8	0	0	112	G209 S210 D211 K216 S217	G209-Q213 WeakPolarHBondContact O-CB 3.16Å; G209-Q213 PolarHBondContact O-N 3.45Å; S210-Q213 CarbonylContact O-C 3.54Å; S210-Q213 WeakPolarHBondContact O-CA 3.01Å; S210-Q213 WeakPolarHBondContact O-CB 3.32Å; S210-Q213 PolarHBondContact O-N 3.02Å; S210-Q213 VanDerWaalsContact O-N 3.1Å; D211-Q213 PolarHBondContact O-N 3.38Å; Q213-K216 VanDerWaalsContact CD-CE 3.48Å; Q213-K216 PolarHBondContact O-N 3.02Å; Q213-S217 WeakPolarHBondContact O-CB 3.12Å; Q213-S217 PolarHBondContact O-N 3.08Å; Q213-S217 PolarHBondContact O-OG 3.09Å
214	N	96	Very high	94	Very high	63 Å²	63	37.4 Å²	37.4	34%	0.337	21%	0.211	S	C	.	.	H	α-helix	trans	-61.7	-51.1	177.8	-72.5	-32.1	0	0	0	110.1	S210 D211 K216 S217 S218 A394	S210-N214 WeakPolarHBondContact O-CB 3.24Å; S210-N214 VanDerWaalsContact O-CG 3.24Å; S210-N214 PolarHBondContact O-N 3.45Å; S210-N214 PolarHBondContact O-ND2 2.84Å; S210-N214 PolarHBondContact OG-ND2 2.81Å; D211-N214 PolarHBondContact O-N 2.97Å; N214-K216 PolarHBondContact O-N 3.27Å; N214-S217 PolarHBondContact O-N 3.41Å; N214-S217 PolarHBondContact O-OG 3.48Å; N214-S218 WeakPolarHBondContact O-CB 3.3Å; N214-S218 PolarHBondContact O-N 3.49Å; N214-S218 PolarHBondContact O-OG 3.49Å; N214-A394 HydrophobicContact CB-CB 4.11Å
215	F	96.5	Very high	93.9	Very high	12 Å²	12	39 Å²	39	5%	0.053	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-44.8	176.3	177.8	-112.8	0	0	0	112.2	I91 L94 M176 M180 D211 S217 S218 F219 A394 L395	I91-F215 HydrophobicContact CG1-CZ 4.39Å; L94-F215 HydrophobicContact CD2-CE1 4.27Å; M176-F215 HydrophobicContact CE-CD1 4Å; M176-F215 HydrophobicContact CE-CE1 3.61Å; M176-F215 HydrophobicContact CE-CZ 4.37Å; M176-F215 HydrophobicContact SD-CE1 3.82Å; M180-F215 HydrophobicContact CE-CD1 3.54Å; M180-F215 HydrophobicContact CE-CE1 4.02Å; M180-F215 HydrophobicContact SD-CD1 3.66Å; M180-F215 HydrophobicContact SD-CE1 4.01Å; D211-F215 WeakPolarHBondContact O-CB 3.26Å; D211-F215 PolarHBondContact O-N 2.72Å; F215-S217 VanDerWaalsContact C-N 3.31Å; F215-S217 PolarHBondContact O-N 2.94Å; F215-S218 PolarHBondContact O-N 2.79Å; F215-F219 HydrophobicContact CZ-CD2 4.41Å; F215-F219 VanDerWaalsContact O-CB 3.24Å; F215-F219 WeakPolarHBondContact O-CB 3.43Å; F215-F219 PolarHBondContact O-N 3.45Å; F215-A394 HydrophobicContact CB-CB 4.39Å; F215-L395 HydrophobicContact CD1-CD1 4.19Å; F215-L395 HydrophobicContact CD2-CB 3.7Å; F215-L395 HydrophobicContact CD2-CD1 4.27Å; F215-L395 HydrophobicContact CD2-CD2 4.2Å; F215-L395 HydrophobicContact CD2-CG 4.28Å; F215-L395 HydrophobicContact CE1-CD1 3.99Å; F215-L395 HydrophobicContact CE2-CB 3.97Å; F215-L395 HydrophobicContact CE2-CD1 4.09Å; F215-L395 HydrophobicContact CE2-CD2 3.57Å; F215-L395 HydrophobicContact CE2-CG 4.09Å; F215-L395 HydrophobicContact CG-CB 4.21Å; F215-L395 HydrophobicContact CG-CD1 4.32Å; F215-L395 HydrophobicContact CZ-CD1 3.94Å; F215-L395 HydrophobicContact CZ-CD2 3.86Å; F215-L395 HydrophobicContact CZ-CG 4.37Å
216	K	95.4	Very high	93.9	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.035	20%	0.196	C	C	.	.	H	α-helix	trans	-53.6	-49.2	173.6	175	-178	61.9	175.2	0	111.1	G173 E174 A177 V212 Q213 N214 K220	G173-K216 WeakPolarHBondContact O-CD 3.34Å; G173-K216 WeakPolarHBondContact O-CG 3.44Å; E174-K216 WeakPolarHBondContact OE1-CD 3.35Å; E174-K216 WeakPolarHBondContact OE1-CE 3.33Å; E174-K216 IonicContact OE1-NZ 3.28Å; E174-K216 PolarHBondContact OE1-NZ 3.14Å; E174-K216 IonicContact OE2-NZ 2.72Å; E174-K216 PolarHBondContact OE2-NZ 3.02Å; A177-K216 HydrophobicContact CB-CB 4.46Å; A177-K216 HydrophobicContact CB-CD 3.92Å; V212-K216 VanDerWaalsContact O-CB 3.26Å; V212-K216 WeakPolarHBondContact O-CB 3.37Å; V212-K216 PolarHBondContact O-N 3.33Å; Q213-K216 VanDerWaalsContact CD-CE 3.48Å; Q213-K216 PolarHBondContact O-N 3.02Å; N214-K216 PolarHBondContact O-N 3.27Å; K216-K220 WeakPolarHBondContact O-CG 3.48Å; K216-K220 PolarHBondContact O-N 3.11Å; K216-K220 VanDerWaalsContact O-N 3.12Å
217	S	94.9	Very high	93.8	Very high	34 Å²	34	32.5 Å²	32.5	24%	0.238	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-45.8	-177.3	72.8	0	0	0	0	112	Q213 N214 F215 F219 K220 Q221	Q213-S217 WeakPolarHBondContact O-CB 3.12Å; Q213-S217 PolarHBondContact O-N 3.08Å; Q213-S217 PolarHBondContact O-OG 3.09Å; N214-S217 PolarHBondContact O-N 3.41Å; N214-S217 PolarHBondContact O-OG 3.48Å; F215-S217 VanDerWaalsContact C-N 3.31Å; F215-S217 PolarHBondContact O-N 2.94Å; S217-F219 PolarHBondContact O-N 3.24Å; S217-K220 PolarHBondContact O-N 3.35Å; S217-Q221 WeakPolarHBondContact O-CG 3.18Å; S217-Q221 PolarHBondContact O-N 3.04Å
218	S	94.8	Very high	93.7	Very high	8 Å²	8	35 Å²	35	6%	0.056	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-39.5	177.2	-66.2	0	0	0	0	112.6	N214 F215 Q221 C222 Q387 G391	N214-S218 WeakPolarHBondContact O-CB 3.3Å; N214-S218 PolarHBondContact O-N 3.49Å; N214-S218 PolarHBondContact O-OG 3.49Å; F215-S218 PolarHBondContact O-N 2.79Å; S218-Q221 PolarHBondContact O-N 3.18Å; S218-C222 VanDerWaalsContact O-CB 3.3Å; S218-C222 WeakPolarHBondContact O-CB 3.09Å; S218-C222 PolarHBondContact O-N 3Å; S218-Q387 WeakPolarHBondContact CB-O 3.35Å; S218-Q387 PolarHBondContact OG-O 3.28Å; S218-G391 VanDerWaalsContact CB-CA 3.46Å; S218-G391 VanDerWaalsContact OG-CA 3.29Å; S218-G391 WeakPolarHBondContact OG-CA 3.12Å; S218-G391 PolarHBondContact OG-N 2.95Å
219	F	94.2	Very high	93.7	Very high	21 Å²	21	33.3 Å²	33.3	9%	0.092	19%	0.186	C	C	.	.	H	α-helix	trans	-60.6	-49.5	175.1	177.5	-97.2	0	0	0	111.1	I95 L102 L169 V172 M176 F215 S217 Q221 C222 I223	I95-F219 HydrophobicContact CD1-CE2 3.57Å; I95-F219 HydrophobicContact CD1-CZ 3.56Å; I95-F219 HydrophobicContact CG1-CE2 4.33Å; I95-F219 HydrophobicContact CG1-CZ 3.98Å; L102-F219 HydrophobicContact CD1-CE1 4.44Å; L102-F219 HydrophobicContact CD1-CZ 4.32Å; L169-F219 HydrophobicContact CD1-CE1 4.26Å; V172-F219 HydrophobicContact CG1-CE1 4.26Å; M176-F219 HydrophobicContact CE-CB 3.77Å; M176-F219 HydrophobicContact CE-CD1 3.62Å; M176-F219 HydrophobicContact CE-CD2 4.3Å; M176-F219 HydrophobicContact CE-CE1 4.27Å; M176-F219 HydrophobicContact CE-CG 3.63Å; M176-F219 HydrophobicContact SD-CD1 4.38Å; M176-F219 HydrophobicContact SD-CE1 4.49Å; M176-F219 HydrophobicContact SD-CG 4.43Å; F215-F219 HydrophobicContact CZ-CD2 4.41Å; F215-F219 VanDerWaalsContact O-CB 3.24Å; F215-F219 WeakPolarHBondContact O-CB 3.43Å; F215-F219 PolarHBondContact O-N 3.45Å; S217-F219 PolarHBondContact O-N 3.24Å; F219-Q221 VanDerWaalsContact C-N 3.3Å; F219-Q221 PolarHBondContact O-N 3.29Å; F219-C222 PolarHBondContact O-N 3.31Å; F219-I223 HydrophobicContact CD1-CD1 4.33Å; F219-I223 HydrophobicContact CD2-CD1 4.36Å; F219-I223 HydrophobicContact CE1-CD1 3.64Å; F219-I223 HydrophobicContact CE2-CD1 3.66Å; F219-I223 HydrophobicContact CE2-CG1 4.49Å; F219-I223 HydrophobicContact CZ-CD1 3.26Å; F219-I223 HydrophobicContact CZ-CG1 4.41Å; F219-I223 PolarHBondContact O-N 3.21Å; F219-I223 VanDerWaalsContact O-N 3.11Å
220	K	93.7	Very high	93.7	Very high	56 Å²	56	33.1 Å²	33.1	24%	0.243	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-41.7	175.9	-67.9	-169.9	-64	-173.3	0	111.5	L169 K216 S217 S224	L169-K220 HydrophobicContact CD2-CB 4.21Å; L169-K220 VanDerWaalsContact CD2-O 3.24Å; L169-K220 WeakPolarHBondContact CD2-O 3.37Å; L169-K220 HydrophobicContact CG-CB 4.25Å; L169-K220 HydrophobicContact CG-CG 4.08Å; K216-K220 WeakPolarHBondContact O-CG 3.48Å; K216-K220 PolarHBondContact O-N 3.11Å; K216-K220 VanDerWaalsContact O-N 3.12Å; S217-K220 PolarHBondContact O-N 3.35Å; K220-S224 VanDerWaalsContact O-CB 3.3Å; K220-S224 WeakPolarHBondContact O-CB 3.48Å; K220-S224 PolarHBondContact O-N 3.1Å; K220-S224 PolarHBondContact O-OG 3.1Å
221	Q	92.9	Very high	93.7	Very high	51 Å²	51	32.6 Å²	32.6	24%	0.238	18%	0.177	C	C	.	.	H	α-helix	trans	-68.6	-40.9	178.9	-74.5	170	-24.7	0	0	112.6	S217 S218 F219 I223 Q225 G226 L384 Q387	S217-Q221 WeakPolarHBondContact O-CG 3.18Å; S217-Q221 PolarHBondContact O-N 3.04Å; S218-Q221 PolarHBondContact O-N 3.18Å; F219-Q221 VanDerWaalsContact C-N 3.3Å; F219-Q221 PolarHBondContact O-N 3.29Å; Q221-I223 PolarHBondContact O-N 2.88Å; Q221-Q225 WeakPolarHBondContact O-CA 3.38Å; Q221-Q225 VanDerWaalsContact O-CB 3.26Å; Q221-Q225 WeakPolarHBondContact O-CB 3.1Å; Q221-Q225 PolarHBondContact O-N 2.87Å; Q221-G226 PolarHBondContact O-N 3.32Å; Q221-L384 HydrophobicContact CB-CD1 3.99Å; Q221-Q387 VanDerWaalsContact OE1-CG 3.27Å
222	C	92.5	Very high	93.6	Very high	58 Å²	58	32.6 Å²	32.6	39%	0.392	18%	0.177	S	C	.	.	I	π-helix	trans	-60	-45.9	177.3	-168.1	0	0	0	0	111.4	S218 F219 G226 L227 V388	S218-C222 VanDerWaalsContact O-CB 3.3Å; S218-C222 WeakPolarHBondContact O-CB 3.09Å; S218-C222 PolarHBondContact O-N 3Å; F219-C222 PolarHBondContact O-N 3.31Å; C222-G226 WeakPolarHBondContact O-CA 3.42Å; C222-G226 PolarHBondContact O-N 3.38Å; C222-L227 PolarHBondContact O-N 3.22Å; C222-V388 HydrophobicContact CB-CG2 4.5Å
223	I	90.3	Very high	93.5	Very high	27 Å²	27	34 Å²	34	14%	0.138	19%	0.186	C	C	.	.	I	π-helix	trans	-73.5	-49.1	179.4	-62	-172.5	0	0	0	111.4	L102 I106 L169 F219 Q221 L227	L102-I223 HydrophobicContact CD1-CD1 3.4Å; L102-I223 VanDerWaalsContact CD1-CD1 3.4Å; L102-I223 HydrophobicContact CD1-CG2 4.33Å; L102-I223 HydrophobicContact CD2-CD1 4.32Å; L102-I223 HydrophobicContact CG-CD1 4.41Å; I106-I223 HydrophobicContact CG1-CG2 3.92Å; L169-I223 HydrophobicContact CD1-CB 4.13Å; L169-I223 HydrophobicContact CD1-CD1 4.23Å; L169-I223 HydrophobicContact CD1-CG2 4.03Å; L169-I223 HydrophobicContact CD2-CB 4.08Å; L169-I223 HydrophobicContact CD2-CG2 4.14Å; F219-I223 HydrophobicContact CD1-CD1 4.33Å; F219-I223 HydrophobicContact CD2-CD1 4.36Å; F219-I223 HydrophobicContact CE1-CD1 3.64Å; F219-I223 HydrophobicContact CE2-CD1 3.66Å; F219-I223 HydrophobicContact CE2-CG1 4.49Å; F219-I223 HydrophobicContact CZ-CD1 3.26Å; F219-I223 HydrophobicContact CZ-CG1 4.41Å; F219-I223 PolarHBondContact O-N 3.21Å; F219-I223 VanDerWaalsContact O-N 3.11Å; Q221-I223 PolarHBondContact O-N 2.88Å; I223-L227 WeakPolarHBondContact O-CB 3.49Å
224	S	90.2	Very high	93.4	Very high	18 Å²	18	35.5 Å²	35.5	13%	0.126	20%	0.2	C	C	.	.	I	π-helix	trans	-72.2	-52.4	-176.5	57.8	0	0	0	0	113.1	K220 R228	K220-S224 VanDerWaalsContact O-CB 3.3Å; K220-S224 WeakPolarHBondContact O-CB 3.48Å; K220-S224 PolarHBondContact O-N 3.1Å; K220-S224 PolarHBondContact O-OG 3.1Å; S224-R228 WeakPolarHBondContact O-CB 3.5Å
225	Q	90	Very high	93.4	Very high	44 Å²	44	33.5 Å²	33.5	21%	0.206	19%	0.194	C	C	.	.	I	π-helix	trans	-85.9	-39.9	-175.5	-56.8	-175.6	10.7	0	0	111.3	Q221 N229	Q221-Q225 WeakPolarHBondContact O-CA 3.38Å; Q221-Q225 VanDerWaalsContact O-CB 3.26Å; Q221-Q225 WeakPolarHBondContact O-CB 3.1Å; Q221-Q225 PolarHBondContact O-N 2.87Å; Q225-N229 WeakPolarHBondContact O-CB 3.27Å; Q225-N229 PolarHBondContact O-N 3.49Å; Q225-N229 PolarHBondContact O-ND2 2.86Å
226	G	92.3	Very high	93.3	Very high	15 Å²	15	33 Å²	33	16%	0.155	19%	0.192	C	C	.	.	I	π-helix	trans	-63.4	-53	-178.6	0	0	0	0	0	112.7	Q221 C222 G230	Q221-G226 PolarHBondContact O-N 3.32Å; C222-G226 WeakPolarHBondContact O-CA 3.42Å; C222-G226 PolarHBondContact O-N 3.38Å; G226-G230 PolarHBondContact O-N 3.22Å
227	L	90.1	Very high	93.1	Very high	61 Å²	61	35.3 Å²	35.3	32%	0.319	21%	0.207	S	C	.	.	H	α-helix	trans	-60.2	-50.5	177.2	-172.9	70.7	0	0	0	111	I106 A109 C222 I223 G230 I231	I106-L227 HydrophobicContact CB-CD2 4.38Å; I106-L227 HydrophobicContact CG2-CD2 3.76Å; A109-L227 HydrophobicContact CB-CD2 4.24Å; C222-L227 PolarHBondContact O-N 3.22Å; I223-L227 WeakPolarHBondContact O-CB 3.49Å; L227-G230 PolarHBondContact O-N 2.95Å; L227-I231 HydrophobicContact CD1-CD1 4.05Å; L227-I231 HydrophobicContact CD2-CD1 4.5Å; L227-I231 HydrophobicContact CG-CD1 3.78Å; L227-I231 WeakPolarHBondContact O-CD1 3.39Å; L227-I231 VanDerWaalsContact O-CG1 3.26Å; L227-I231 WeakPolarHBondContact O-CG1 3.5Å; L227-I231 PolarHBondContact O-N 3.35Å
228	R	91.9	Very high	93.1	Very high	62 Å²	62	40.9 Å²	40.9	23%	0.234	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-49.5	-176.5	-174	-174.7	72.7	178.4	2.4	112.3	A113 Y165 S224 Q232	A113-R228 HydrophobicContact CB-CB 4.29Å; A113-R228 HydrophobicContact CB-CG 3.78Å; Y165-R228 PolarHBondContact OH-NH1 3.49Å; Y165-R228 VanDerWaalsContact OH-NH1 3.14Å; S224-R228 WeakPolarHBondContact O-CB 3.5Å; R228-Q232 WeakPolarHBondContact O-CB 3.24Å; R228-Q232 WeakPolarHBondContact O-CG 3.43Å; R228-Q232 PolarHBondContact O-N 2.96Å
229	N	94.1	Very high	93.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.011	23%	0.226	C	C	.	.	H	α-helix	trans	-71.1	-34.3	-178.6	-58.8	-26.3	0	0	0	111.1	Q225 Q232 V233 Q380	Q225-N229 WeakPolarHBondContact O-CB 3.27Å; Q225-N229 PolarHBondContact O-N 3.49Å; Q225-N229 PolarHBondContact O-ND2 2.86Å; N229-Q232 PolarHBondContact O-N 3Å; N229-V233 VanDerWaalsContact O-CG2 3.27Å; N229-V233 WeakPolarHBondContact O-CG2 3.48Å; N229-V233 PolarHBondContact O-N 3.07Å; N229-Q380 WeakPolarHBondContact ND2-CB 3.38Å
230	G	94.3	Very high	93	Very high	28 Å²	28	39.9 Å²	39.9	29%	0.289	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-49.6	174.2	0	0	0	0	0	112	G226 L227 Q232 V233 V234	G226-G230 PolarHBondContact O-N 3.22Å; L227-G230 PolarHBondContact O-N 2.95Å; G230-Q232 VanDerWaalsContact C-N 3.32Å; G230-Q232 PolarHBondContact O-N 3.04Å; G230-V233 PolarHBondContact O-N 3.44Å; G230-V234 WeakPolarHBondContact O-CG2 3.23Å; G230-V234 PolarHBondContact O-N 3.01Å; G230-V234 VanDerWaalsContact O-N 3.11Å
231	I	94.1	Very high	93	Very high	37 Å²	37	41.4 Å²	41.4	19%	0.19	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-42.1	174.4	-65.8	161.3	0	0	0	110.7	F110 A113 V114 L227 V233 V234 G235	F110-I231 HydrophobicContact CB-CD1 4.36Å; F110-I231 HydrophobicContact CD2-CD1 3.41Å; F110-I231 VanDerWaalsContact CD2-CD1 3.41Å; F110-I231 HydrophobicContact CD2-CG1 4.43Å; F110-I231 HydrophobicContact CE2-CD1 4.04Å; F110-I231 HydrophobicContact CG-CD1 4.23Å; A113-I231 HydrophobicContact CB-CB 3.84Å; A113-I231 HydrophobicContact CB-CD1 4.07Å; A113-I231 HydrophobicContact CB-CG2 3.73Å; V114-I231 HydrophobicContact CG2-CG2 4.39Å; L227-I231 HydrophobicContact CD1-CD1 4.05Å; L227-I231 HydrophobicContact CD2-CD1 4.5Å; L227-I231 HydrophobicContact CG-CD1 3.78Å; L227-I231 WeakPolarHBondContact O-CD1 3.39Å; L227-I231 VanDerWaalsContact O-CG1 3.26Å; L227-I231 WeakPolarHBondContact O-CG1 3.5Å; L227-I231 PolarHBondContact O-N 3.35Å; I231-V233 PolarHBondContact O-N 3.27Å; I231-V234 PolarHBondContact O-N 3.27Å; I231-G235 WeakPolarHBondContact O-CA 3.43Å; I231-G235 PolarHBondContact O-N 3.12Å
232	Q	94.3	Very high	92.8	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.019	25%	0.248	C	C	.	.	H	α-helix	trans	-64.9	-38.4	179	-75.8	166.9	-3.1	0	0	112.6	A113 N116 V117 R228 N229 G230 S236 S377	A113-Q232 HydrophobicContact CB-CG 4.35Å; N116-Q232 HydrophobicContact CB-CG 4.33Å; N116-Q232 PolarHBondContact ND2-NE2 3.43Å; V117-Q232 HydrophobicContact CG2-CB 4.46Å; V117-Q232 HydrophobicContact CG2-CG 4.23Å; R228-Q232 WeakPolarHBondContact O-CB 3.24Å; R228-Q232 WeakPolarHBondContact O-CG 3.43Å; R228-Q232 PolarHBondContact O-N 2.96Å; N229-Q232 PolarHBondContact O-N 3Å; G230-Q232 VanDerWaalsContact C-N 3.32Å; G230-Q232 PolarHBondContact O-N 3.04Å; Q232-S236 WeakPolarHBondContact O-CB 3.32Å; Q232-S236 PolarHBondContact O-N 3.42Å; Q232-S236 PolarHBondContact O-OG 3.31Å; Q232-S377 WeakPolarHBondContact CB-OG 3.2Å; Q232-S377 PolarHBondContact OE1-OG 3.28Å
233	V	94.1	Very high	92.7	Very high	29 Å²	29	41.2 Å²	41.2	18%	0.176	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-52.9	175.4	168.7	0	0	0	0	110	N229 G230 I231 S236 V237 L374 L378	N229-V233 VanDerWaalsContact O-CG2 3.27Å; N229-V233 WeakPolarHBondContact O-CG2 3.48Å; N229-V233 PolarHBondContact O-N 3.07Å; G230-V233 PolarHBondContact O-N 3.44Å; I231-V233 PolarHBondContact O-N 3.27Å; V233-S236 PolarHBondContact O-N 3.3Å; V233-V237 VanDerWaalsContact O-CG2 3.28Å; V233-V237 WeakPolarHBondContact O-CG2 3.49Å; V233-V237 PolarHBondContact O-N 3.33Å; V233-L374 HydrophobicContact CB-CD1 4.22Å; V233-L374 HydrophobicContact CG1-CD1 4.04Å; V233-L374 HydrophobicContact CG2-CD1 4.12Å; V233-L378 HydrophobicContact CG1-CD2 4.34Å; V233-L378 HydrophobicContact CG2-CD2 3.97Å; V233-L378 HydrophobicContact CG2-CG 4.11Å
234	V	94.8	Very high	92.6	Very high	107 Å²	107	40.3 Å²	40.3	65%	0.648	23%	0.231	S	C	*	.	H	α-helix	trans	-62.1	-48.2	-179.4	176.2	0	0	0	0	111.1	G230 I231 S236 V237 F238	G230-V234 WeakPolarHBondContact O-CG2 3.23Å; G230-V234 PolarHBondContact O-N 3.01Å; G230-V234 VanDerWaalsContact O-N 3.11Å; I231-V234 PolarHBondContact O-N 3.27Å; V234-S236 PolarHBondContact O-N 3.37Å; V234-V237 PolarHBondContact O-N 3.49Å; V234-F238 PolarHBondContact O-N 3.32Å
235	G	95.1	Very high	92.5	Very high	21 Å²	21	43.6 Å²	43.6	22%	0.216	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-39.4	179.4	0	0	0	0	0	112.9	I231 F238 A239	I231-G235 WeakPolarHBondContact O-CA 3.43Å; I231-G235 PolarHBondContact O-N 3.12Å; G235-F238 PolarHBondContact O-N 2.96Å; G235-A239 VanDerWaalsContact O-CB 3.3Å; G235-A239 WeakPolarHBondContact O-CB 3.45Å; G235-A239 PolarHBondContact O-N 2.92Å
236	S	94.4	Very high	92.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-69	-38.8	176.7	-58.6	0	0	0	0	111.7	Q232 V233 V234 A239 L240	Q232-S236 WeakPolarHBondContact O-CB 3.32Å; Q232-S236 PolarHBondContact O-N 3.42Å; Q232-S236 PolarHBondContact O-OG 3.31Å; V233-S236 PolarHBondContact O-N 3.3Å; V234-S236 PolarHBondContact O-N 3.37Å; S236-A239 PolarHBondContact O-N 3.35Å; S236-L240 WeakPolarHBondContact O-CB 3.35Å; S236-L240 WeakPolarHBondContact O-CG 3.37Å; S236-L240 PolarHBondContact O-N 2.96Å
237	V	93.1	Very high	92.3	Very high	57 Å²	57	44.9 Å²	44.9	35%	0.345	26%	0.26	S	S	.	.	H	α-helix	trans	-62.8	-44.4	175.7	169.9	0	0	0	0	110.8	V233 V234 L240 L241 L374	V233-V237 VanDerWaalsContact O-CG2 3.28Å; V233-V237 WeakPolarHBondContact O-CG2 3.49Å; V233-V237 PolarHBondContact O-N 3.33Å; V234-V237 PolarHBondContact O-N 3.49Å; V237-L240 PolarHBondContact O-N 3.11Å; V237-L241 HydrophobicContact CG1-CD1 4.3Å; V237-L241 WeakPolarHBondContact O-CG 3.46Å; V237-L241 PolarHBondContact O-N 2.82Å; V237-L241 VanDerWaalsContact O-N 3.08Å; V237-L374 HydrophobicContact CG2-CD1 4.3Å; V237-L374 HydrophobicContact CG2-CD2 4.33Å
238	F	94.4	Very high	92.3	Very high	152 Å²	152	42.4 Å²	42.4	67%	0.667	25%	0.248	S	C	*	.	H	α-helix	trans	-63.3	-43.5	175.2	-175.4	-95.4	0	0	0	112	V234 G235 L240 L241 S242	V234-F238 PolarHBondContact O-N 3.32Å; G235-F238 PolarHBondContact O-N 2.96Å; F238-L240 PolarHBondContact O-N 3.37Å; F238-L241 PolarHBondContact O-N 3.11Å; F238-S242 WeakPolarHBondContact O-CB 3.2Å; F238-S242 PolarHBondContact O-N 2.82Å
239	A	93.5	Very high	92.1	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-44.9	175.9	0	0	0	0	0	111.8	V117 L121 G235 S236 L241 S242 I243 T370	V117-A239 HydrophobicContact CG1-CB 4.43Å; L121-A239 HydrophobicContact CD1-CB 4.44Å; L121-A239 HydrophobicContact CD2-CB 4.45Å; G235-A239 VanDerWaalsContact O-CB 3.3Å; G235-A239 WeakPolarHBondContact O-CB 3.45Å; G235-A239 PolarHBondContact O-N 2.92Å; S236-A239 PolarHBondContact O-N 3.35Å; A239-L241 PolarHBondContact O-N 2.8Å; A239-S242 WeakPolarHBondContact CA-OG 3.47Å; A239-S242 PolarHBondContact O-N 2.85Å; A239-S242 PolarHBondContact O-OG 3.28Å; A239-I243 WeakPolarHBondContact O-CD1 3.24Å; A239-I243 VanDerWaalsContact O-CG1 3.27Å; A239-I243 WeakPolarHBondContact O-CG1 3.21Å; A239-I243 PolarHBondContact O-N 3.33Å; A239-T370 HydrophobicContact CB-CG2 4.07Å
240	L	93.7	Very high	91.7	Very high	3 Å²	3	45 Å²	45	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-45.8	177	-69.6	169.8	0	0	0	112	S236 V237 F238 S242 I243 S244 T248 L251 F367 T370 L374	S236-L240 WeakPolarHBondContact O-CB 3.35Å; S236-L240 WeakPolarHBondContact O-CG 3.37Å; S236-L240 PolarHBondContact O-N 2.96Å; V237-L240 PolarHBondContact O-N 3.11Å; F238-L240 PolarHBondContact O-N 3.37Å; L240-S242 VanDerWaalsContact C-N 3.28Å; L240-S242 PolarHBondContact O-N 2.94Å; L240-I243 PolarHBondContact O-N 3.2Å; L240-S244 PolarHBondContact O-N 3.46Å; L240-T248 HydrophobicContact CB-CG2 4.16Å; L240-T248 PolarHBondContact O-OG1 3.3Å; L240-L251 HydrophobicContact CD1-CD2 4.14Å; L240-F367 HydrophobicContact CB-CE2 4.22Å; L240-F367 HydrophobicContact CD2-CD1 4.01Å; L240-F367 HydrophobicContact CD2-CD2 3.65Å; L240-F367 HydrophobicContact CD2-CE1 4.02Å; L240-F367 HydrophobicContact CD2-CE2 3.65Å; L240-F367 HydrophobicContact CD2-CG 3.84Å; L240-F367 HydrophobicContact CD2-CZ 3.84Å; L240-T370 HydrophobicContact CD1-CG2 4.45Å; L240-T370 HydrophobicContact CD2-CG2 3.83Å; L240-T370 HydrophobicContact CG-CG2 3.75Å; L240-L374 HydrophobicContact CD1-CD2 3.81Å
241	L	92.6	Very high	91.4	Very high	89 Å²	89	44.3 Å²	44.3	47%	0.466	27%	0.272	S	S	.	.	H	α-helix	trans	-60.9	-36.9	175.9	-72.6	170.8	0	0	0	112.4	V237 F238 A239 T248	V237-L241 HydrophobicContact CG1-CD1 4.3Å; V237-L241 WeakPolarHBondContact O-CG 3.46Å; V237-L241 PolarHBondContact O-N 2.82Å; V237-L241 VanDerWaalsContact O-N 3.08Å; F238-L241 PolarHBondContact O-N 3.11Å; A239-L241 PolarHBondContact O-N 2.8Å; L241-T248 HydrophobicContact CD2-CG2 3.59Å; L241-T248 HydrophobicContact CG-CG2 3.97Å
242	S	90.2	Very high	91	Very high	78 Å²	78	47.9 Å²	47.9	55%	0.545	29%	0.291	S	S	.	.	H	α-helix	trans	-71.3	-31.7	177.8	73.5	0	0	0	0	113.5	F238 A239 L240	F238-S242 WeakPolarHBondContact O-CB 3.2Å; F238-S242 PolarHBondContact O-N 2.82Å; A239-S242 WeakPolarHBondContact CA-OG 3.47Å; A239-S242 PolarHBondContact O-N 2.85Å; A239-S242 PolarHBondContact O-OG 3.28Å; L240-S242 VanDerWaalsContact C-N 3.28Å; L240-S242 PolarHBondContact O-N 2.94Å
243	I	89.1	Confident	90.6	Very high	27 Å²	27	50.2 Å²	50.2	14%	0.138	32%	0.316	C	S	.	.	H	α-helix	trans	-76.3	-53	178.8	-64.8	159.7	0	0	0	110.6	L121 A239 L240 H363 F367	L121-I243 HydrophobicContact CD2-CD1 3.7Å; L121-I243 HydrophobicContact CD2-CG1 4.03Å; A239-I243 WeakPolarHBondContact O-CD1 3.24Å; A239-I243 VanDerWaalsContact O-CG1 3.27Å; A239-I243 WeakPolarHBondContact O-CG1 3.21Å; A239-I243 PolarHBondContact O-N 3.33Å; L240-I243 PolarHBondContact O-N 3.2Å; I243-H363 HydrophobicContact CG2-CB 3.94Å; I243-F367 HydrophobicContact CB-CD2 4.39Å; I243-F367 HydrophobicContact CG2-CB 4.33Å; I243-F367 HydrophobicContact CG2-CD2 4.19Å
244	S	88.4	Confident	90.1	Very high	7 Å²	7	51 Å²	51	5%	0.049	32%	0.323	C	S	.	.			trans	-156.2	109	-179.1	176.8	0	0	0	0	110.9	L240 T246 L247 T248	L240-S244 PolarHBondContact O-N 3.46Å; S244-T246 VanDerWaalsContact C-N 3.29Å; S244-T246 PolarHBondContact O-N 3.42Å; S244-T246 PolarHBondContact OG-OG1 3.26Å; S244-T246 VanDerWaalsContact OG-OG1 3.1Å; S244-L247 PolarHBondContact OG-N 3.07Å; S244-T248 WeakPolarHBondContact O-CB 3.3Å; S244-T248 PolarHBondContact O-N 3.24Å; S244-T248 VanDerWaalsContact O-N 3.11Å; S244-T248 PolarHBondContact O-OG1 3.02Å
245	P	88.7	Confident	89.6	Confident	87 Å²	87	47.9 Å²	47.9	57%	0.565	30%	0.302	S	S	*	.	H	α-helix	trans	-67.1	-31.6	177.7	25.6	-32.9	0	0	0	112.1	T248 A249	P245-T248 PolarHBondContact O-N 3.44Å; P245-A249 WeakPolarHBondContact O-CB 3.38Å; P245-A249 PolarHBondContact O-N 3.46Å
246	T	88.4	Confident	89.1	Confident	83 Å²	83	50.7 Å²	50.7	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-68.9	-47.1	-179.8	51.9	0	0	0	0	111.9	S244 T248 A249 A250	S244-T246 VanDerWaalsContact C-N 3.29Å; S244-T246 PolarHBondContact O-N 3.42Å; S244-T246 PolarHBondContact OG-OG1 3.26Å; S244-T246 VanDerWaalsContact OG-OG1 3.1Å; T246-T248 VanDerWaalsContact C-N 3.33Å; T246-T248 PolarHBondContact O-N 2.95Å; T246-A249 PolarHBondContact O-N 2.96Å; T246-A250 PolarHBondContact O-N 3.46Å
247	L	88.7	Confident	88.7	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-64.9	-38.1	174.5	-75	174.1	0	0	0	112.2	S244 A250 L251 V349 L353 L359 F367	S244-L247 PolarHBondContact OG-N 3.07Å; L247-A250 PolarHBondContact O-N 2.72Å; L247-L251 PolarHBondContact O-N 2.72Å; L247-V349 HydrophobicContact CD2-CB 3.88Å; L247-V349 HydrophobicContact CD2-CG1 3.54Å; L247-L353 HydrophobicContact CD1-CD1 3.99Å; L247-L353 HydrophobicContact CD2-CD1 3.57Å; L247-L353 HydrophobicContact CG-CD1 3.45Å; L247-L353 VanDerWaalsContact CG-CD1 3.45Å; L247-L359 HydrophobicContact CD1-CD1 3.66Å; L247-F367 HydrophobicContact CB-CD2 4.23Å; L247-F367 HydrophobicContact CB-CE1 4.19Å; L247-F367 HydrophobicContact CB-CE2 3.54Å; L247-F367 HydrophobicContact CB-CZ 3.52Å; L247-F367 HydrophobicContact CD1-CD2 4.28Å; L247-F367 HydrophobicContact CD1-CE2 4.42Å; L247-F367 HydrophobicContact CD1-CG 4.4Å
248	T	90.6	Very high	88.4	Confident	9 Å²	9	53.7 Å²	53.7	6%	0.055	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-40.8	178.6	-56.1	0	0	0	0	111.6	L240 L241 S244 P245 T246 A250 L251 L252 F367	L240-T248 HydrophobicContact CB-CG2 4.16Å; L240-T248 PolarHBondContact O-OG1 3.3Å; L241-T248 HydrophobicContact CD2-CG2 3.59Å; L241-T248 HydrophobicContact CG-CG2 3.97Å; S244-T248 WeakPolarHBondContact O-CB 3.3Å; S244-T248 PolarHBondContact O-N 3.24Å; S244-T248 VanDerWaalsContact O-N 3.11Å; S244-T248 PolarHBondContact O-OG1 3.02Å; P245-T248 PolarHBondContact O-N 3.44Å; T246-T248 VanDerWaalsContact C-N 3.33Å; T246-T248 PolarHBondContact O-N 2.95Å; T248-A250 VanDerWaalsContact C-N 3.35Å; T248-A250 PolarHBondContact O-N 3.42Å; T248-L251 PolarHBondContact O-N 2.77Å; T248-L252 WeakPolarHBondContact O-CB 3.43Å; T248-L252 PolarHBondContact O-N 3.47Å; T248-F367 WeakPolarHBondContact OG1-CE2 3.43Å
249	A	88.2	Confident	88	Confident	63 Å²	63	52.1 Å²	52.1	52%	0.521	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-41.2	174.7	0	0	0	0	0	112	P245 T246 L251 L252 G253	P245-A249 WeakPolarHBondContact O-CB 3.38Å; P245-A249 PolarHBondContact O-N 3.46Å; T246-A249 PolarHBondContact O-N 2.96Å; A249-L251 PolarHBondContact O-N 3.2Å; A249-L252 PolarHBondContact O-N 3.42Å; A249-G253 PolarHBondContact O-N 3.41Å
250	A	86	Confident	87.8	Confident	54 Å²	54	57 Å²	57	45%	0.446	36%	0.355	S	S	.	.	H	α-helix	trans	-61.7	-42.5	174.9	0	0	0	0	0	112.1	T246 L247 T248 G253	T246-A250 PolarHBondContact O-N 3.46Å; L247-A250 PolarHBondContact O-N 2.72Å; T248-A250 VanDerWaalsContact C-N 3.35Å; T248-A250 PolarHBondContact O-N 3.42Å; A250-G253 PolarHBondContact O-N 3.39Å
251	L	87.6	Confident	87.5	Confident	14 Å²	14	61.2 Å²	61.2	7%	0.073	38%	0.377	C	S	.	.	H	α-helix	trans	-65	-44	174.4	-179.9	70	0	0	0	111.6	L240 L247 T248 A249 G253 C254 L255 V342 T371	L240-L251 HydrophobicContact CD1-CD2 4.14Å; L247-L251 PolarHBondContact O-N 2.72Å; T248-L251 PolarHBondContact O-N 2.77Å; A249-L251 PolarHBondContact O-N 3.2Å; L251-G253 PolarHBondContact O-N 3Å; L251-C254 PolarHBondContact O-N 3.29Å; L251-C254 PolarHBondContact O-SG 3.28Å; L251-L255 HydrophobicContact CG-CD1 4.48Å; L251-L255 WeakPolarHBondContact O-CG 3.42Å; L251-L255 PolarHBondContact O-N 3.26Å; L251-V342 HydrophobicContact CD1-CG1 3.35Å; L251-T371 HydrophobicContact CD1-CG2 4.47Å; L251-T371 HydrophobicContact CD2-CG2 4.24Å
252	L	86.1	Confident	87.3	Confident	112 Å²	112	58 Å²	58	59%	0.586	37%	0.365	S	S	*	.	H	α-helix	trans	-64.3	-30.5	-179.7	-149.4	77.5	0	0	0	111.9	T248 A249 L255 P256	T248-L252 WeakPolarHBondContact O-CB 3.43Å; T248-L252 PolarHBondContact O-N 3.47Å; A249-L252 PolarHBondContact O-N 3.42Å; L252-L255 HydrophobicContact CD1-CD1 4.3Å; L252-P256 WeakPolarHBondContact O-CD 3.43Å
253	G	85.7	Confident	87.2	Confident	54 Å²	54	57 Å²	57	56%	0.557	36%	0.359	S	S	*	.	H	α-helix	trans	-67.1	-34.7	176	0	0	0	0	0	114.2	A249 A250 L251	A249-G253 PolarHBondContact O-N 3.41Å; A250-G253 PolarHBondContact O-N 3.39Å; L251-G253 PolarHBondContact O-N 3Å
254	C	84.1	Confident	87.3	Confident	46 Å²	46	60.9 Å²	60.9	31%	0.311	38%	0.379	S	S	.	.	H	α-helix	trans	-84.3	-24.8	-179.8	69.7	0	0	0	0	113.4	L251 C257 V258	L251-C254 PolarHBondContact O-N 3.29Å; L251-C254 PolarHBondContact O-SG 3.28Å; C254-C257 PolarHBondContact O-N 3.11Å; C254-V258 PolarHBondContact O-N 3.28Å
255	L	83.1	Confident	87.4	Confident	41 Å²	41	63.2 Å²	63.2	22%	0.215	39%	0.389	C	S	.	.	H	α-helix	trans	-58.5	-46.5	-175.8	-78.2	175.4	0	0	0	115	L251 L252 C257 V258 F259	L251-L255 HydrophobicContact CG-CD1 4.48Å; L251-L255 WeakPolarHBondContact O-CG 3.42Å; L251-L255 PolarHBondContact O-N 3.26Å; L252-L255 HydrophobicContact CD1-CD1 4.3Å; L255-C257 VanDerWaalsContact C-N 3.25Å; L255-C257 PolarHBondContact O-N 3.4Å; L255-V258 PolarHBondContact O-N 3.28Å; L255-V258 VanDerWaalsContact O-N 3.08Å; L255-F259 HydrophobicContact CB-CD2 4.18Å; L255-F259 HydrophobicContact CB-CE2 4.1Å; L255-F259 HydrophobicContact CD2-CE2 3.97Å; L255-F259 HydrophobicContact CG-CE2 4.46Å; L255-F259 WeakPolarHBondContact O-CD2 3.28Å; L255-F259 PolarHBondContact O-N 2.88Å
256	P	85.2	Confident	87.4	Confident	80 Å²	80	59.4 Å²	59.4	52%	0.519	37%	0.366	S	S	.	.	H	α-helix	trans	-55.3	-39.4	179.8	-28	34.4	0	0	0	113.2	L252 F259 L260	L252-P256 WeakPolarHBondContact O-CD 3.43Å; P256-F259 PolarHBondContact O-N 3.31Å; P256-L260 VanDerWaalsContact O-CB 3.24Å; P256-L260 WeakPolarHBondContact O-CB 3.49Å; P256-L260 PolarHBondContact O-N 3.5Å
257	C	86.5	Confident	87.6	Confident	78 Å²	78	58.4 Å²	58.4	53%	0.527	36%	0.36	S	S	.	.	H	α-helix	trans	-64.3	-44.5	177.3	-61	0	0	0	0	111.5	C254 L255 L260 I261	C254-C257 PolarHBondContact O-N 3.11Å; L255-C257 VanDerWaalsContact C-N 3.25Å; L255-C257 PolarHBondContact O-N 3.4Å; C257-L260 PolarHBondContact O-N 3.12Å; C257-I261 VanDerWaalsContact O-CG1 3.28Å; C257-I261 WeakPolarHBondContact O-CG1 3.28Å; C257-I261 PolarHBondContact O-N 3.38Å
258	V	86.3	Confident	87.7	Confident	42 Å²	42	64 Å²	64	26%	0.255	39%	0.386	S	S	.	.	H	α-helix	trans	-62.8	-45.7	178	-177	0	0	0	0	110.9	C254 L255 G262 T338	C254-V258 PolarHBondContact O-N 3.28Å; L255-V258 PolarHBondContact O-N 3.28Å; L255-V258 VanDerWaalsContact O-N 3.08Å; V258-G262 PolarHBondContact O-N 3.29Å; V258-T338 HydrophobicContact CB-CG2 4.3Å; V258-T338 HydrophobicContact CG1-CG2 3.93Å; V258-T338 HydrophobicContact CG2-CG2 3.47Å; V258-T338 VanDerWaalsContact CG2-CG2 3.47Å
259	F	85.8	Confident	87.8	Confident	119 Å²	119	64.7 Å²	64.7	52%	0.522	39%	0.39	S	S	.	.	H	α-helix	trans	-65.6	-42.7	178.6	-78	-65.7	0	0	0	112.5	L255 P256 G262 S263 L378	L255-F259 HydrophobicContact CB-CD2 4.18Å; L255-F259 HydrophobicContact CB-CE2 4.1Å; L255-F259 HydrophobicContact CD2-CE2 3.97Å; L255-F259 HydrophobicContact CG-CE2 4.46Å; L255-F259 WeakPolarHBondContact O-CD2 3.28Å; L255-F259 PolarHBondContact O-N 2.88Å; P256-F259 PolarHBondContact O-N 3.31Å; F259-G262 PolarHBondContact O-N 3.43Å; F259-S263 VanDerWaalsContact O-CB 3.28Å; F259-S263 WeakPolarHBondContact O-CB 3.24Å; F259-S263 PolarHBondContact O-N 2.91Å; F259-S263 PolarHBondContact O-OG 2.93Å; F259-L378 HydrophobicContact CZ-CD1 4.27Å
260	L	88.3	Confident	87.9	Confident	106 Å²	106	67.9 Å²	67.9	56%	0.555	39%	0.388	S	S	*	.	H	α-helix	trans	-62	-52.8	179.6	-177.2	62.3	0	0	0	110.9	P256 C257 G262 S263 L264	P256-L260 VanDerWaalsContact O-CB 3.24Å; P256-L260 WeakPolarHBondContact O-CB 3.49Å; P256-L260 PolarHBondContact O-N 3.5Å; C257-L260 PolarHBondContact O-N 3.12Å; L260-G262 VanDerWaalsContact C-N 3.34Å; L260-G262 PolarHBondContact O-N 3.41Å; L260-S263 PolarHBondContact O-N 3.37Å; L260-S263 VanDerWaalsContact O-N 3.17Å; L260-S263 PolarHBondContact O-OG 2.93Å; L260-L264 HydrophobicContact CG-CD1 4.42Å; L260-L264 WeakPolarHBondContact O-CG 3.33Å; L260-L264 PolarHBondContact O-N 3.26Å; L260-L264 VanDerWaalsContact O-N 3.12Å
261	I	88.5	Confident	88.3	Confident	92 Å²	92	71 Å²	71	47%	0.472	39%	0.393	S	S	.	.	H	α-helix	trans	-60.7	-45.7	178.9	-64.2	167.2	0	0	0	110.5	C257 S263 L264 M265	C257-I261 VanDerWaalsContact O-CG1 3.28Å; C257-I261 WeakPolarHBondContact O-CG1 3.28Å; C257-I261 PolarHBondContact O-N 3.38Å; I261-S263 VanDerWaalsContact C-N 3.28Å; I261-S263 PolarHBondContact O-N 2.89Å; I261-L264 PolarHBondContact O-N 2.66Å; I261-M265 HydrophobicContact CG2-SD 4.25Å; I261-M265 PolarHBondContact O-N 2.84Å
262	G	89.1	Confident	88.6	Confident	22 Å²	22	71.5 Å²	71.5	23%	0.227	40%	0.396	C	S	.	.	H	α-helix	trans	-60.9	-36.5	177.9	0	0	0	0	0	112.9	V258 F259 L260 G266	V258-G262 PolarHBondContact O-N 3.29Å; F259-G262 PolarHBondContact O-N 3.43Å; L260-G262 VanDerWaalsContact C-N 3.34Å; L260-G262 PolarHBondContact O-N 3.41Å; G262-G266 PolarHBondContact O-N 2.92Å
263	S	87.6	Confident	88.9	Confident	58 Å²	58	69 Å²	69	41%	0.406	39%	0.387	S	S	.	.	H	α-helix	trans	-68.4	-41.6	178.3	76.1	0	0	0	0	112.9	F259 L260 I261 G266 T267	F259-S263 VanDerWaalsContact O-CB 3.28Å; F259-S263 WeakPolarHBondContact O-CB 3.24Å; F259-S263 PolarHBondContact O-N 2.91Å; F259-S263 PolarHBondContact O-OG 2.93Å; L260-S263 PolarHBondContact O-N 3.37Å; L260-S263 VanDerWaalsContact O-N 3.17Å; L260-S263 PolarHBondContact O-OG 2.93Å; I261-S263 VanDerWaalsContact C-N 3.28Å; I261-S263 PolarHBondContact O-N 2.89Å; S263-G266 PolarHBondContact O-N 2.8Å; S263-T267 PolarHBondContact O-N 2.75Å
264	L	90.3	Very high	89.3	Confident	108 Å²	108	74.9 Å²	74.9	57%	0.565	39%	0.393	S	S	*	.	H	α-helix	trans	-68.4	-43	178.9	-67.5	172.1	0	0	0	111.9	L260 I261 G266 T267	L260-L264 HydrophobicContact CG-CD1 4.42Å; L260-L264 WeakPolarHBondContact O-CG 3.33Å; L260-L264 PolarHBondContact O-N 3.26Å; L260-L264 VanDerWaalsContact O-N 3.12Å; I261-L264 PolarHBondContact O-N 2.66Å; L264-G266 VanDerWaalsContact C-N 3.28Å; L264-G266 PolarHBondContact O-N 2.9Å; L264-T267 PolarHBondContact O-N 3.41Å; L264-T267 PolarHBondContact O-OG1 2.75Å
265	M	89.9	Confident	89.9	Confident	55 Å²	55	76.2 Å²	76.2	27%	0.271	40%	0.395	S	S	.	.	H	α-helix	trans	-65.9	-37	172.4	-66.7	-177.1	76.4	0	0	111.1	I261 T267 E268 L269 F331 L334	I261-M265 HydrophobicContact CG2-SD 4.25Å; I261-M265 PolarHBondContact O-N 2.84Å; M265-T267 PolarHBondContact O-N 3.45Å; M265-E268 PolarHBondContact O-N 2.8Å; M265-L269 WeakPolarHBondContact O-CG 3.41Å; M265-L269 PolarHBondContact O-N 3.39Å; M265-L269 VanDerWaalsContact O-N 3.16Å; M265-F331 HydrophobicContact CB-CD2 3.74Å; M265-F331 HydrophobicContact CB-CE2 4.22Å; M265-F331 HydrophobicContact CE-CB 4.09Å; M265-F331 HydrophobicContact CE-CD2 4.3Å; M265-F331 HydrophobicContact SD-CD2 4.19Å; M265-L334 HydrophobicContact CE-CD2 4.45Å; M265-L334 HydrophobicContact SD-CD2 3.86Å
266	G	90.5	Very high	90.5	Very high	8 Å²	8	74.9 Å²	74.9	8%	0.082	39%	0.388	C	S	.	.	H	α-helix	trans	-64.2	-34	179.1	0	0	0	0	0	113.9	G262 S263 L264 R270	G262-G266 PolarHBondContact O-N 2.92Å; S263-G266 PolarHBondContact O-N 2.8Å; L264-G266 VanDerWaalsContact C-N 3.28Å; L264-G266 PolarHBondContact O-N 2.9Å; G266-R270 WeakPolarHBondContact O-CB 3.43Å; G266-R270 VanDerWaalsContact O-CG 3.28Å; G266-R270 WeakPolarHBondContact O-CG 3.25Å; G266-R270 PolarHBondContact O-N 3.36Å; G266-R270 PolarHBondContact O-NH1 3.19Å
267	T	91.2	Very high	90.8	Very high	62 Å²	62	76.7 Å²	76.7	38%	0.38	39%	0.389	S	S	.	.	H	α-helix	trans	-64.3	-46.8	177.1	45.3	0	0	0	0	111.7	S263 L264 M265 R270 H271	S263-T267 PolarHBondContact O-N 2.75Å; L264-T267 PolarHBondContact O-N 3.41Å; L264-T267 PolarHBondContact O-OG1 2.75Å; M265-T267 PolarHBondContact O-N 3.45Å; T267-R270 PolarHBondContact O-N 3.1Å; T267-H271 PolarHBondContact O-N 2.72Å; T267-H271 VanDerWaalsContact O-N 3.07Å
268	E	90.6	Very high	91.2	Very high	121 Å²	121	76.3 Å²	76.3	57%	0.565	39%	0.388	S	S	*	.	H	α-helix	trans	-63.8	-43.9	178.8	-67.9	-53.7	122.2	0	0	111.8	M265 R270 H271 I272	M265-E268 PolarHBondContact O-N 2.8Å; E268-R270 VanDerWaalsContact C-N 3.29Å; E268-R270 PolarHBondContact O-N 3.36Å; E268-H271 WeakPolarHBondContact O-CB 2.94Å; E268-H271 PolarHBondContact O-N 2.71Å; E268-H271 VanDerWaalsContact O-N 3.14Å; E268-I272 WeakPolarHBondContact O-CG1 3.14Å; E268-I272 PolarHBondContact O-N 3.45Å
269	L	92.5	Very high	91.6	Very high	24 Å²	24	74.6 Å²	74.6	13%	0.126	38%	0.377	C	S	.	.	H	α-helix	trans	-61.5	-38.3	176	-70.2	176.1	0	0	0	112.3	M265 H271 S273 L324 G327 I328 F331	M265-L269 WeakPolarHBondContact O-CG 3.41Å; M265-L269 PolarHBondContact O-N 3.39Å; M265-L269 VanDerWaalsContact O-N 3.16Å; L269-H271 VanDerWaalsContact C-N 3.35Å; L269-S273 VanDerWaalsContact O-CB 3.24Å; L269-S273 WeakPolarHBondContact O-CB 3.26Å; L269-S273 PolarHBondContact O-N 3.05Å; L269-L324 HydrophobicContact CD2-CD1 4.31Å; L269-G327 VanDerWaalsContact CD2-C 3.46Å; L269-I328 HydrophobicContact CD2-CG1 4.35Å; L269-F331 HydrophobicContact CD1-CB 3.69Å; L269-F331 HydrophobicContact CD1-CD1 4.32Å; L269-F331 HydrophobicContact CD1-CD2 4.2Å; L269-F331 HydrophobicContact CD1-CG 3.81Å
270	R	91.3	Very high	92	Very high	129 Å²	129	71.9 Å²	71.9	49%	0.487	37%	0.368	S	S	.	.	H	α-helix	trans	-65	-38	175.2	-77	-174.2	-62.2	-92.3	6.5	112	G266 T267 E268 S273 R274	G266-R270 WeakPolarHBondContact O-CB 3.43Å; G266-R270 VanDerWaalsContact O-CG 3.28Å; G266-R270 WeakPolarHBondContact O-CG 3.25Å; G266-R270 PolarHBondContact O-N 3.36Å; G266-R270 PolarHBondContact O-NH1 3.19Å; T267-R270 PolarHBondContact O-N 3.1Å; E268-R270 VanDerWaalsContact C-N 3.29Å; E268-R270 PolarHBondContact O-N 3.36Å; R270-S273 PolarHBondContact O-N 3.22Å; R270-R274 WeakPolarHBondContact O-CG 3.42Å; R270-R274 PolarHBondContact O-N 3Å; R270-R274 VanDerWaalsContact O-N 3.1Å
271	H	93.9	Very high	92	Very high	120 Å²	120	69.9 Å²	69.9	56%	0.556	36%	0.363	S	S	*	.	H	α-helix	trans	-63.1	-51.2	176.3	-176.5	-85.6	0	0	0	111.2	T267 E268 L269 S273 R274 E275	T267-H271 PolarHBondContact O-N 2.72Å; T267-H271 VanDerWaalsContact O-N 3.07Å; E268-H271 WeakPolarHBondContact O-CB 2.94Å; E268-H271 PolarHBondContact O-N 2.71Å; E268-H271 VanDerWaalsContact O-N 3.14Å; L269-H271 VanDerWaalsContact C-N 3.35Å; H271-S273 VanDerWaalsContact C-N 3.3Å; H271-S273 PolarHBondContact O-N 3.42Å; H271-R274 PolarHBondContact O-N 2.91Å; H271-R274 VanDerWaalsContact O-N 3.14Å; H271-E275 PolarHBondContact O-N 3.36Å
272	I	93.8	Very high	92.3	Very high	24 Å²	24	69.3 Å²	69.3	12%	0.123	36%	0.36	C	S	.	.	H	α-helix	trans	-62.1	-39.8	178.1	-58	167.6	0	0	0	110.8	E268 R274 E275 V276 K323 L324	E268-I272 WeakPolarHBondContact O-CG1 3.14Å; E268-I272 PolarHBondContact O-N 3.45Å; I272-R274 VanDerWaalsContact C-N 3.29Å; I272-R274 PolarHBondContact O-N 3.46Å; I272-E275 PolarHBondContact O-N 2.86Å; I272-V276 WeakPolarHBondContact O-CG2 3.35Å; I272-V276 PolarHBondContact O-N 3.19Å; I272-K323 HydrophobicContact CD1-CD 4.39Å; I272-K323 HydrophobicContact CD1-CG 4.31Å; I272-L324 HydrophobicContact CB-CD1 4.28Å; I272-L324 HydrophobicContact CG2-CB 3.81Å; I272-L324 HydrophobicContact CG2-CD1 4.17Å
273	S	93.8	Very high	92.4	Very high	59 Å²	59	71.1 Å²	71.1	41%	0.413	36%	0.362	S	S	.	.	H	α-helix	trans	-61.4	-35.4	176.9	-178.1	0	0	0	0	112.9	L269 R270 H271 Q277	L269-S273 VanDerWaalsContact O-CB 3.24Å; L269-S273 WeakPolarHBondContact O-CB 3.26Å; L269-S273 PolarHBondContact O-N 3.05Å; R270-S273 PolarHBondContact O-N 3.22Å; H271-S273 VanDerWaalsContact C-N 3.3Å; H271-S273 PolarHBondContact O-N 3.42Å; S273-Q277 WeakPolarHBondContact O-CB 3.48Å; S273-Q277 PolarHBondContact O-N 2.91Å
274	R	93.8	Very high	92.5	Very high	179 Å²	179	71 Å²	71	68%	0.675	36%	0.364	S	S	*	.	H	α-helix	trans	-68.9	-40.5	175.4	-73.7	173.5	-175.9	155.3	-1	111.5	R270 H271 I272 Q277 S278	R270-R274 WeakPolarHBondContact O-CG 3.42Å; R270-R274 PolarHBondContact O-N 3Å; R270-R274 VanDerWaalsContact O-N 3.1Å; H271-R274 PolarHBondContact O-N 2.91Å; H271-R274 VanDerWaalsContact O-N 3.14Å; I272-R274 VanDerWaalsContact C-N 3.29Å; I272-R274 PolarHBondContact O-N 3.46Å; R274-Q277 PolarHBondContact O-N 3.42Å; R274-S278 WeakPolarHBondContact O-CB 3.43Å; R274-S278 PolarHBondContact O-N 3.33Å
275	E	95.6	Very high	92.5	Very high	74 Å²	74	69.2 Å²	69.2	35%	0.346	36%	0.361	S	S	.	.	H	α-helix	trans	-64.1	-43.2	176.7	-172.8	58.4	-155.3	0	0	111.5	H271 I272 Q277 S278 Q279 L320	H271-E275 PolarHBondContact O-N 3.36Å; I272-E275 PolarHBondContact O-N 2.86Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 3.29Å; E275-S278 WeakPolarHBondContact O-CB 3.46Å; E275-S278 PolarHBondContact O-N 3.11Å; E275-Q279 WeakPolarHBondContact O-CB 3.35Å; E275-Q279 PolarHBondContact O-N 3.33Å; E275-L320 HydrophobicContact CG-CD1 3.81Å; E275-L320 HydrophobicContact CG-CD2 3.83Å; E275-L320 HydrophobicContact CG-CG 4.45Å
276	V	95.2	Very high	92.6	Very high	12 Å²	12	67.2 Å²	67.2	7%	0.073	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-44.7	172.4	170.8	0	0	0	0	111.2	I272 Q279 N280 L320 L324	I272-V276 WeakPolarHBondContact O-CG2 3.35Å; I272-V276 PolarHBondContact O-N 3.19Å; V276-Q279 PolarHBondContact O-N 2.91Å; V276-N280 WeakPolarHBondContact O-CB 3.4Å; V276-N280 PolarHBondContact O-N 2.73Å; V276-N280 PolarHBondContact O-ND2 3.05Å; V276-L320 HydrophobicContact CG2-CB 3.72Å; V276-L324 HydrophobicContact CB-CD2 4.37Å; V276-L324 HydrophobicContact CG2-CB 4.3Å; V276-L324 HydrophobicContact CG2-CD2 4.03Å
277	Q	93.1	Very high	92.7	Very high	118 Å²	118	69.3 Å²	69.3	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-64.1	-41.8	178.5	-174.6	60.9	50.5	0	0	111.9	S273 R274 E275 N280 S281	S273-Q277 WeakPolarHBondContact O-CB 3.48Å; S273-Q277 PolarHBondContact O-N 2.91Å; R274-Q277 PolarHBondContact O-N 3.42Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 3.29Å; Q277-N280 PolarHBondContact O-N 3.34Å; Q277-S281 PolarHBondContact O-N 3.24Å; Q277-S281 PolarHBondContact O-OG 3.46Å; Q277-S281 VanDerWaalsContact O-OG 3.12Å
278	S	94.3	Very high	92.6	Very high	71 Å²	71	71.5 Å²	71.5	50%	0.497	37%	0.37	S	S	.	.	H	α-helix	trans	-60.1	-48.4	176.1	-174.9	0	0	0	0	111.4	R274 E275 N280 S281 L282	R274-S278 WeakPolarHBondContact O-CB 3.43Å; R274-S278 PolarHBondContact O-N 3.33Å; E275-S278 WeakPolarHBondContact O-CB 3.46Å; E275-S278 PolarHBondContact O-N 3.11Å; S278-N280 PolarHBondContact O-N 2.95Å; S278-S281 PolarHBondContact O-N 3.32Å; S278-L282 PolarHBondContact O-N 2.79Å
279	Q	95.3	Very high	92.6	Very high	5 Å²	5	70.9 Å²	70.9	2%	0.023	37%	0.367	C	S	.	.	H	α-helix	trans	-65.3	-37.3	179	-170.6	63.3	38	0	0	112.2	E275 V276 L282 F283 N313 K316 A317 L320	E275-Q279 WeakPolarHBondContact O-CB 3.35Å; E275-Q279 PolarHBondContact O-N 3.33Å; V276-Q279 PolarHBondContact O-N 2.91Å; Q279-L282 PolarHBondContact O-N 3.4Å; Q279-F283 PolarHBondContact O-N 3.17Å; Q279-N313 PolarHBondContact NE2-O 3.4Å; Q279-N313 PolarHBondContact NE2-OD1 2.86Å; Q279-K316 HydrophobicContact CG-CG 4.46Å; Q279-A317 HydrophobicContact CG-CB 3.81Å; Q279-L320 HydrophobicContact CB-CD1 4.1Å; Q279-L320 HydrophobicContact CG-CD1 4.24Å
280	N	92.6	Very high	92.6	Very high	63 Å²	63	70.1 Å²	70.1	34%	0.337	36%	0.364	S	S	.	.	H	α-helix	trans	-66.9	-38.2	174.3	-78	-21.7	0	0	0	112.5	V276 Q277 S278 F283 A284	V276-N280 WeakPolarHBondContact O-CB 3.4Å; V276-N280 PolarHBondContact O-N 2.73Å; V276-N280 PolarHBondContact O-ND2 3.05Å; Q277-N280 PolarHBondContact O-N 3.34Å; S278-N280 PolarHBondContact O-N 2.95Å; N280-F283 PolarHBondContact O-N 3.43Å; N280-A284 WeakPolarHBondContact O-CB 3.34Å; N280-A284 PolarHBondContact O-N 3.47Å
281	S	90.1	Very high	92.7	Very high	64 Å²	64	70.9 Å²	70.9	45%	0.448	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-40.7	174.5	-65.2	0	0	0	0	111.7	Q277 S278 A284 S285	Q277-S281 PolarHBondContact O-N 3.24Å; Q277-S281 PolarHBondContact O-OG 3.46Å; Q277-S281 VanDerWaalsContact O-OG 3.12Å; S278-S281 PolarHBondContact O-N 3.32Å; S281-A284 PolarHBondContact O-N 2.94Å; S281-S285 WeakPolarHBondContact O-CB 3.29Å; S281-S285 PolarHBondContact O-N 2.84Å
282	L	93.1	Very high	92.5	Very high	80 Å²	80	68.8 Å²	68.8	42%	0.419	37%	0.37	S	S	.	.	H	α-helix	trans	-61.4	-45.9	174.3	177.9	63.4	0	0	0	111.6	S278 Q279 S285 L286 N313	S278-L282 PolarHBondContact O-N 2.79Å; Q279-L282 PolarHBondContact O-N 3.4Å; L282-S285 WeakPolarHBondContact O-CB 3.28Å; L282-S285 PolarHBondContact O-N 2.93Å; L282-L286 HydrophobicContact CG-CD1 4.42Å; L282-L286 WeakPolarHBondContact O-CG 3.47Å; L282-L286 PolarHBondContact O-N 3.43Å; L282-N313 WeakPolarHBondContact CD2-OD1 3.24Å
283	F	91.7	Very high	92.5	Very high	60 Å²	60	72.9 Å²	72.9	26%	0.263	39%	0.388	S	S	.	.	H	α-helix	trans	-59.5	-46.3	175.1	165.8	-104.9	0	0	0	112.2	Q279 N280 S285 L286 I287 I310 V314	Q279-F283 PolarHBondContact O-N 3.17Å; N280-F283 PolarHBondContact O-N 3.43Å; F283-S285 VanDerWaalsContact C-N 3.32Å; F283-S285 PolarHBondContact O-N 3.48Å; F283-L286 PolarHBondContact O-N 3.22Å; F283-I287 HydrophobicContact CD1-CD1 4.33Å; F283-I287 HydrophobicContact CD2-CD1 4.23Å; F283-I287 HydrophobicContact CE1-CD1 3.62Å; F283-I287 HydrophobicContact CE2-CD1 3.49Å; F283-I287 VanDerWaalsContact CE2-CD1 3.49Å; F283-I287 HydrophobicContact CE2-CG1 4.1Å; F283-I287 HydrophobicContact CZ-CD1 3.17Å; F283-I287 HydrophobicContact CZ-CG1 4.23Å; F283-I287 PolarHBondContact O-N 3.41Å; F283-I287 VanDerWaalsContact O-N 3.09Å; F283-I310 HydrophobicContact CD2-CG2 4.42Å; F283-I310 HydrophobicContact CE2-CG2 3.88Å; F283-V314 HydrophobicContact CD2-CG2 3.6Å; F283-V314 HydrophobicContact CE2-CG2 3.31Å; F283-V314 HydrophobicContact CZ-CG2 4.06Å
284	A	89.7	Confident	92.6	Very high	54 Å²	54	73.6 Å²	73.6	45%	0.446	39%	0.387	S	S	.	.	H	α-helix	trans	-60.5	-41.8	176.8	0	0	0	0	0	111.8	N280 S281 I287 D288	N280-A284 WeakPolarHBondContact O-CB 3.34Å; N280-A284 PolarHBondContact O-N 3.47Å; S281-A284 PolarHBondContact O-N 2.94Å; A284-I287 PolarHBondContact O-N 3.05Å; A284-D288 WeakPolarHBondContact O-CB 3.34Å; A284-D288 PolarHBondContact O-N 2.7Å
285	S	89.9	Confident	92.6	Very high	72 Å²	72	75.4 Å²	75.4	50%	0.503	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-41.2	176.1	-172.6	0	0	0	0	112.7	S281 L282 F283 I287 D288 E289	S281-S285 WeakPolarHBondContact O-CB 3.29Å; S281-S285 PolarHBondContact O-N 2.84Å; L282-S285 WeakPolarHBondContact O-CB 3.28Å; L282-S285 PolarHBondContact O-N 2.93Å; F283-S285 VanDerWaalsContact C-N 3.32Å; F283-S285 PolarHBondContact O-N 3.48Å; S285-I287 VanDerWaalsContact C-N 3.33Å; S285-D288 PolarHBondContact O-N 3.02Å; S285-E289 WeakPolarHBondContact O-CB 3.4Å; S285-E289 PolarHBondContact O-N 2.85Å
286	L	91.9	Very high	92.7	Very high	13 Å²	13	75.2 Å²	75.2	7%	0.068	40%	0.397	C	S	.	.	H	α-helix	trans	-65.8	-36.2	177.4	-72.4	171.2	0	0	0	112.1	L282 F283 A290 K309 N313	L282-L286 HydrophobicContact CG-CD1 4.42Å; L282-L286 WeakPolarHBondContact O-CG 3.47Å; L282-L286 PolarHBondContact O-N 3.43Å; F283-L286 PolarHBondContact O-N 3.22Å; L286-A290 WeakPolarHBondContact O-CB 3.41Å; L286-A290 PolarHBondContact O-N 3.25Å; L286-A290 VanDerWaalsContact O-N 3.07Å; L286-K309 HydrophobicContact CD2-CD 4.37Å; L286-N313 HydrophobicContact CD1-CB 4.33Å
287	I	93.5	Very high	92.7	Very high	51 Å²	51	75.4 Å²	75.4	26%	0.262	40%	0.398	S	S	.	.	H	α-helix	trans	-67.5	-44.3	174.2	-74.3	-176.4	0	0	0	111	F283 A284 S285 E289 A290 F291 I310	F283-I287 HydrophobicContact CD1-CD1 4.33Å; F283-I287 HydrophobicContact CD2-CD1 4.23Å; F283-I287 HydrophobicContact CE1-CD1 3.62Å; F283-I287 HydrophobicContact CE2-CD1 3.49Å; F283-I287 VanDerWaalsContact CE2-CD1 3.49Å; F283-I287 HydrophobicContact CE2-CG1 4.1Å; F283-I287 HydrophobicContact CZ-CD1 3.17Å; F283-I287 HydrophobicContact CZ-CG1 4.23Å; F283-I287 PolarHBondContact O-N 3.41Å; F283-I287 VanDerWaalsContact O-N 3.09Å; A284-I287 PolarHBondContact O-N 3.05Å; S285-I287 VanDerWaalsContact C-N 3.33Å; I287-E289 VanDerWaalsContact C-N 3.33Å; I287-E289 PolarHBondContact O-N 3.47Å; I287-A290 WeakPolarHBondContact O-CB 3.36Å; I287-A290 PolarHBondContact O-N 3.29Å; I287-F291 HydrophobicContact CG2-CD2 3.58Å; I287-F291 HydrophobicContact CG2-CE2 3.49Å; I287-F291 VanDerWaalsContact CG2-CE2 3.49Å; I287-F291 HydrophobicContact CG2-CZ 4.41Å; I287-F291 PolarHBondContact O-N 3.04Å; I287-I310 HydrophobicContact CG1-CD1 4.49Å
288	D	89.4	Confident	92.9	Very high	109 Å²	109	75.8 Å²	75.8	58%	0.583	40%	0.398	S	S	*	.	H	α-helix	trans	-60.6	-44.2	179.1	-170	65.4	0	0	0	111.3	A284 S285 A290 F291 S292	A284-D288 WeakPolarHBondContact O-CB 3.34Å; A284-D288 PolarHBondContact O-N 2.7Å; S285-D288 PolarHBondContact O-N 3.02Å; D288-A290 PolarHBondContact O-N 3.12Å; D288-F291 PolarHBondContact O-N 2.88Å; D288-S292 WeakPolarHBondContact O-CB 3.43Å; D288-S292 PolarHBondContact O-N 3.36Å; D288-S292 PolarHBondContact O-OG 3.39Å
289	E	90.2	Very high	93.1	Very high	107 Å²	107	76.9 Å²	76.9	50%	0.5	41%	0.406	S	S	.	.	H	α-helix	trans	-58.4	-48	173.4	-174.9	-174.5	166	0	0	111.6	S285 I287 F291 H293	S285-E289 WeakPolarHBondContact O-CB 3.4Å; S285-E289 PolarHBondContact O-N 2.85Å; I287-E289 VanDerWaalsContact C-N 3.33Å; I287-E289 PolarHBondContact O-N 3.47Å; E289-F291 PolarHBondContact O-N 3.22Å; E289-H293 PolarHBondContact O-CD2 3.44Å; E289-H293 PolarHBondContact O-N 3.35Å; E289-H293 VanDerWaalsContact O-N 3.11Å
290	A	92.8	Very high	93.2	Very high	8 Å²	8	81.8 Å²	81.8	7%	0.066	43%	0.432	C	S	.	.	H	α-helix	trans	-60.8	-44.4	-179.4	0	0	0	0	0	113.4	L286 I287 D288 H293 I294 L306	L286-A290 WeakPolarHBondContact O-CB 3.41Å; L286-A290 PolarHBondContact O-N 3.25Å; L286-A290 VanDerWaalsContact O-N 3.07Å; I287-A290 WeakPolarHBondContact O-CB 3.36Å; I287-A290 PolarHBondContact O-N 3.29Å; D288-A290 PolarHBondContact O-N 3.12Å; A290-H293 CarbonylContact O-C 2.94Å; A290-I294 VanDerWaalsContact O-CA 3.32Å; A290-I294 WeakPolarHBondContact O-CA 3.45Å; A290-I294 PolarHBondContact O-N 3.47Å; A290-I294 VanDerWaalsContact O-N 3.08Å; A290-L306 HydrophobicContact CB-CD1 4.2Å; A290-L306 HydrophobicContact CB-CD2 3.32Å; A290-L306 HydrophobicContact CB-CG 4.32Å
291	F	92.8	Very high	93.4	Very high	146 Å²	146	82.4 Å²	82.4	64%	0.64	45%	0.445	S	S	*	.	H	α-helix	trans	-79.9	-36	-178.4	-68.9	-30	0	0	0	112.8	I287 D288 E289 H293 I294	I287-F291 HydrophobicContact CG2-CD2 3.58Å; I287-F291 HydrophobicContact CG2-CE2 3.49Å; I287-F291 VanDerWaalsContact CG2-CE2 3.49Å; I287-F291 HydrophobicContact CG2-CZ 4.41Å; I287-F291 PolarHBondContact O-N 3.04Å; D288-F291 PolarHBondContact O-N 2.88Å; E289-F291 PolarHBondContact O-N 3.22Å; F291-H293 PolarHBondContact O-N 3.08Å; F291-I294 PolarHBondContact O-N 3.22Å
292	S	90.8	Very high	93.7	Very high	75 Å²	75	82.7 Å²	82.7	52%	0.524	44%	0.44	S	S	.	.	H	α-helix	trans	-59.3	-32.9	173.1	-65.3	0	0	0	0	111.8	D288	D288-S292 WeakPolarHBondContact O-CB 3.43Å; D288-S292 PolarHBondContact O-N 3.36Å; D288-S292 PolarHBondContact O-OG 3.39Å
293	H	93.3	Very high	93.8	Very high	110 Å²	110	81.5 Å²	81.5	51%	0.509	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	29.1	-179.4	-58.3	-59.6	0	0	0	113.9	E289 A290 F291 R295 T296 V297	E289-H293 PolarHBondContact O-CD2 3.44Å; E289-H293 PolarHBondContact O-N 3.35Å; E289-H293 VanDerWaalsContact O-N 3.11Å; A290-H293 CarbonylContact O-C 2.94Å; F291-H293 PolarHBondContact O-N 3.08Å; H293-R295 PolarHBondContact O-N 2.86Å; H293-R295 VanDerWaalsContact O-N 3.12Å; H293-T296 WeakPolarHBondContact O-CA 3.27Å; H293-T296 WeakPolarHBondContact O-CB 3.36Å; H293-T296 PolarHBondContact O-N 2.88Å; H293-V297 PolarHBondContact O-N 3.46Å
294	I	95.1	Very high	94.1	Very high	75 Å²	75	84.3 Å²	84.3	39%	0.385	45%	0.451	S	S	.	.	H	α-helix	trans	-57.5	-33.9	-174.2	-171	58.4	0	0	0	113.5	A290 F291 T296 V297 K298	A290-I294 VanDerWaalsContact O-CA 3.32Å; A290-I294 WeakPolarHBondContact O-CA 3.45Å; A290-I294 PolarHBondContact O-N 3.47Å; A290-I294 VanDerWaalsContact O-N 3.08Å; F291-I294 PolarHBondContact O-N 3.22Å; I294-T296 VanDerWaalsContact C-N 3.32Å; I294-T296 PolarHBondContact O-N 3.05Å; I294-V297 HydrophobicContact CD1-CB 4.42Å; I294-V297 PolarHBondContact O-N 3.47Å; I294-K298 WeakPolarHBondContact O-CG 3.48Å; I294-K298 PolarHBondContact O-N 2.76Å
295	R	95.1	Very high	94.4	Very high	217 Å²	217	87.9 Å²	87.9	82%	0.819	46%	0.456	S	S	*	.	H	α-helix	trans	-63.6	-39.9	176.3	-67.9	-175.2	-179.2	-173.2	0.7	111.6	H293 K298 S299	H293-R295 PolarHBondContact O-N 2.86Å; H293-R295 VanDerWaalsContact O-N 3.12Å; R295-K298 PolarHBondContact O-N 3.42Å; R295-S299 PolarHBondContact O-N 2.68Å; R295-S299 PolarHBondContact O-OG 3.29Å
296	T	96.8	Very high	94.7	Very high	70 Å²	70	86 Å²	86	43%	0.429	44%	0.441	S	S	.	.	H	α-helix	trans	-70	-41.2	176.9	-50.6	0	0	0	0	111.2	H293 I294 K298 S299 L300	H293-T296 WeakPolarHBondContact O-CA 3.27Å; H293-T296 WeakPolarHBondContact O-CB 3.36Å; H293-T296 PolarHBondContact O-N 2.88Å; I294-T296 VanDerWaalsContact C-N 3.32Å; I294-T296 PolarHBondContact O-N 3.05Å; T296-K298 VanDerWaalsContact C-N 3.26Å; T296-K298 PolarHBondContact O-N 2.89Å; T296-S299 WeakPolarHBondContact CA-OG 3.49Å; T296-S299 PolarHBondContact O-N 3.28Å; T296-S299 PolarHBondContact O-OG 2.95Å; T296-L300 HydrophobicContact CG2-CD1 3.81Å; T296-L300 HydrophobicContact CG2-CG 4.29Å; T296-L300 WeakPolarHBondContact O-CB 3.46Å; T296-L300 WeakPolarHBondContact O-CG 3.38Å; T296-L300 PolarHBondContact O-N 3.37Å
297	V	96.2	Very high	94.9	Very high	15 Å²	15	89.5 Å²	89.5	9%	0.091	46%	0.458	C	S	.	.	H	α-helix	trans	-56.3	-44.5	173.5	175.3	0	0	0	0	110.3	H293 I294 A301 M302 E303 L306	H293-V297 PolarHBondContact O-N 3.46Å; I294-V297 HydrophobicContact CD1-CB 4.42Å; I294-V297 PolarHBondContact O-N 3.47Å; V297-A301 PolarHBondContact O-N 3.5Å; V297-A301 VanDerWaalsContact O-N 3.12Å; V297-M302 HydrophobicContact CG1-CB 4.13Å; V297-M302 PolarHBondContact O-N 3.47Å; V297-E303 HydrophobicContact CG1-CG 4.25Å; V297-L306 HydrophobicContact CG1-CD2 4.47Å
298	K	97.4	Very high	95	Very high	126 Å²	126	92.1 Å²	92.1	55%	0.548	47%	0.473	S	S	.	.	H	α-helix	trans	-67.3	-43.6	175.9	-70.7	-56.8	-171.9	177.8	0	113.4	I294 R295 T296 L300 A301 E303	I294-K298 WeakPolarHBondContact O-CG 3.48Å; I294-K298 PolarHBondContact O-N 2.76Å; R295-K298 PolarHBondContact O-N 3.42Å; T296-K298 VanDerWaalsContact C-N 3.26Å; T296-K298 PolarHBondContact O-N 2.89Å; K298-L300 PolarHBondContact O-N 3.45Å; K298-A301 PolarHBondContact O-N 3.22Å; K298-E303 HydrophobicContact CD-CG 4.47Å; K298-E303 WeakPolarHBondContact CD-OE1 3.34Å; K298-E303 WeakPolarHBondContact CE-OE1 3.39Å; K298-E303 IonicContact NZ-OE1 2.69Å; K298-E303 PolarHBondContact NZ-OE1 3.45Å
299	S	97.9	Very high	95.3	Very high	94 Å²	94	90.9 Å²	90.9	66%	0.657	46%	0.462	S	S	*	.	H	α-helix	trans	-67.2	-27.4	-179.1	65.3	0	0	0	0	112.8	R295 T296	R295-S299 PolarHBondContact O-N 2.68Å; R295-S299 PolarHBondContact O-OG 3.29Å; T296-S299 WeakPolarHBondContact CA-OG 3.49Å; T296-S299 PolarHBondContact O-N 3.28Å; T296-S299 PolarHBondContact O-OG 2.95Å
300	L	97.5	Very high	95.6	Very high	109 Å²	109	87.5 Å²	87.5	57%	0.571	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	4.3	179	-61.4	-179.6	0	0	0	113.5	T296 K298 M302	T296-L300 HydrophobicContact CG2-CD1 3.81Å; T296-L300 HydrophobicContact CG2-CG 4.29Å; T296-L300 WeakPolarHBondContact O-CB 3.46Å; T296-L300 WeakPolarHBondContact O-CG 3.38Å; T296-L300 PolarHBondContact O-N 3.37Å; K298-L300 PolarHBondContact O-N 3.45Å; L300-M302 HydrophobicContact CB-CG 3.74Å; L300-M302 HydrophobicContact CB-SD 3.89Å; L300-M302 HydrophobicContact CD1-SD 3.81Å; L300-M302 PolarHBondContact O-N 2.93Å
301	A	97	Very high	95.8	Very high	75 Å²	75	91 Å²	91	62%	0.62	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	41.7	-176.8	0	0	0	0	0	113.5	V297 K298 E303	V297-A301 PolarHBondContact O-N 3.5Å; V297-A301 VanDerWaalsContact O-N 3.12Å; K298-A301 PolarHBondContact O-N 3.22Å; A301-E303 VanDerWaalsContact C-N 3.35Å; A301-E303 WeakPolarHBondContact CA-OE2 3.28Å
302	M	95.8	Very high	96	Very high	70 Å²	70	91.6 Å²	91.6	35%	0.345	46%	0.464	S	S	.	.			trans	-88.5	7.2	-173.5	-76.1	179.2	57.5	0	0	114.2	V297 L300 D304 F305 L306	V297-M302 HydrophobicContact CG1-CB 4.13Å; V297-M302 PolarHBondContact O-N 3.47Å; L300-M302 HydrophobicContact CB-CG 3.74Å; L300-M302 HydrophobicContact CB-SD 3.89Å; L300-M302 HydrophobicContact CD1-SD 3.81Å; L300-M302 PolarHBondContact O-N 2.93Å; M302-D304 PolarHBondContact O-N 3.36Å; M302-F305 HydrophobicContact CE-CD1 4.09Å; M302-F305 HydrophobicContact CE-CE1 4.44Å; M302-F305 PolarHBondContact O-N 3.29Å; M302-L306 WeakPolarHBondContact O-CB 3.23Å; M302-L306 PolarHBondContact O-N 3.48Å
303	E	96.1	Very high	96.1	Very high	56 Å²	56	88.8 Å²	88.8	26%	0.262	44%	0.443	S	S	.	.	H	α-helix	trans	-56.6	-48.2	-173.1	-64.5	96.1	138.1	0	0	112.4	V297 K298 A301 L306 I307	V297-E303 HydrophobicContact CG1-CG 4.25Å; K298-E303 HydrophobicContact CD-CG 4.47Å; K298-E303 WeakPolarHBondContact CD-OE1 3.34Å; K298-E303 WeakPolarHBondContact CE-OE1 3.39Å; K298-E303 IonicContact NZ-OE1 2.69Å; K298-E303 PolarHBondContact NZ-OE1 3.45Å; A301-E303 VanDerWaalsContact C-N 3.35Å; A301-E303 WeakPolarHBondContact CA-OE2 3.28Å; E303-L306 PolarHBondContact O-N 3.22Å; E303-I307 WeakPolarHBondContact O-CB 3.37Å; E303-I307 WeakPolarHBondContact O-CD1 3.45Å; E303-I307 WeakPolarHBondContact O-CG1 3.41Å; E303-I307 PolarHBondContact O-N 3.32Å
304	D	97.1	Very high	96.3	Very high	119 Å²	119	86.2 Å²	86.2	64%	0.636	44%	0.435	S	S	*	.	H	α-helix	trans	-67.5	-40.2	-177	-66.4	-43.9	0	0	0	112.3	M302 L306 I307 N308	M302-D304 PolarHBondContact O-N 3.36Å; D304-L306 VanDerWaalsContact C-N 3.32Å; D304-L306 PolarHBondContact O-N 3.37Å; D304-I307 PolarHBondContact O-N 3.28Å; D304-N308 WeakPolarHBondContact O-CB 3.46Å; D304-N308 VanDerWaalsContact O-CG 3.3Å; D304-N308 PolarHBondContact O-N 3.16Å; D304-N308 PolarHBondContact O-ND2 3.1Å
305	F	95.9	Very high	96.4	Very high	129 Å²	129	86.7 Å²	86.7	57%	0.566	44%	0.438	S	S	*	.	H	α-helix	trans	-59.5	-46.1	174.7	173	-97.6	0	0	0	111	M302 N308 K309	M302-F305 HydrophobicContact CE-CD1 4.09Å; M302-F305 HydrophobicContact CE-CE1 4.44Å; M302-F305 PolarHBondContact O-N 3.29Å; F305-N308 PolarHBondContact O-N 3.47Å; F305-K309 HydrophobicContact CE1-CD 4.35Å; F305-K309 WeakPolarHBondContact O-CB 3.28Å; F305-K309 PolarHBondContact O-N 3.49Å
306	L	95.6	Very high	96.5	Very high	33 Å²	33	79.9 Å²	79.9	17%	0.173	42%	0.415	C	S	.	.	H	α-helix	trans	-68	-41.4	179.9	-177.7	67.6	0	0	0	111.7	A290 V297 M302 E303 D304 N308 K309 I310	A290-L306 HydrophobicContact CB-CD1 4.2Å; A290-L306 HydrophobicContact CB-CD2 3.32Å; A290-L306 HydrophobicContact CB-CG 4.32Å; V297-L306 HydrophobicContact CG1-CD2 4.47Å; M302-L306 WeakPolarHBondContact O-CB 3.23Å; M302-L306 PolarHBondContact O-N 3.48Å; E303-L306 PolarHBondContact O-N 3.22Å; D304-L306 VanDerWaalsContact C-N 3.32Å; D304-L306 PolarHBondContact O-N 3.37Å; L306-N308 VanDerWaalsContact C-N 3.32Å; L306-N308 PolarHBondContact O-N 3.23Å; L306-K309 PolarHBondContact O-N 2.78Å; L306-I310 HydrophobicContact CD1-CD1 4.21Å; L306-I310 HydrophobicContact CD1-CG1 4.39Å; L306-I310 HydrophobicContact CD2-CD1 4.44Å; L306-I310 HydrophobicContact CG-CD1 3.93Å; L306-I310 HydrophobicContact CG-CG1 4.46Å; L306-I310 WeakPolarHBondContact O-CB 3.38Å; L306-I310 WeakPolarHBondContact O-CG1 3.47Å; L306-I310 PolarHBondContact O-N 3.05Å
307	I	95.9	Very high	96.4	Very high	85 Å²	85	77 Å²	77	44%	0.436	40%	0.398	S	S	.	.	H	α-helix	trans	-57.3	-46.8	174.9	-73	164.1	0	0	0	110.2	E303 D304 I310 N311	E303-I307 WeakPolarHBondContact O-CB 3.37Å; E303-I307 WeakPolarHBondContact O-CD1 3.45Å; E303-I307 WeakPolarHBondContact O-CG1 3.41Å; E303-I307 PolarHBondContact O-N 3.32Å; D304-I307 PolarHBondContact O-N 3.28Å; I307-I310 PolarHBondContact O-N 3.47Å; I307-N311 WeakPolarHBondContact O-CB 3.38Å; I307-N311 VanDerWaalsContact O-CG 3.23Å; I307-N311 PolarHBondContact O-N 2.85Å; I307-N311 PolarHBondContact O-ND2 2.87Å
308	N	97.1	Very high	96.4	Very high	107 Å²	107	81.4 Å²	81.4	57%	0.572	42%	0.416	S	S	*	.	H	α-helix	trans	-63.5	-43.6	178.2	-72	-28.6	0	0	0	112.3	D304 F305 L306 I310 N311 Y312	D304-N308 WeakPolarHBondContact O-CB 3.46Å; D304-N308 VanDerWaalsContact O-CG 3.3Å; D304-N308 PolarHBondContact O-N 3.16Å; D304-N308 PolarHBondContact O-ND2 3.1Å; F305-N308 PolarHBondContact O-N 3.47Å; L306-N308 VanDerWaalsContact C-N 3.32Å; L306-N308 PolarHBondContact O-N 3.23Å; N308-I310 VanDerWaalsContact C-N 3.32Å; N308-I310 PolarHBondContact O-N 3.45Å; N308-N311 PolarHBondContact O-N 3.36Å; N308-Y312 PolarHBondContact O-N 3.33Å; N308-Y312 VanDerWaalsContact O-N 3.07Å
309	K	96.1	Very high	96.4	Very high	83 Å²	83	81.2 Å²	81.2	36%	0.361	42%	0.418	S	S	.	.	H	α-helix	trans	-61.8	-40.3	176	-170.9	178.9	-178.2	-172.5	0	111.8	L286 F305 L306 N313	L286-K309 HydrophobicContact CD2-CD 4.37Å; F305-K309 HydrophobicContact CE1-CD 4.35Å; F305-K309 WeakPolarHBondContact O-CB 3.28Å; F305-K309 PolarHBondContact O-N 3.49Å; L306-K309 PolarHBondContact O-N 2.78Å; K309-N313 PolarHBondContact O-N 3.27Å; K309-N313 PolarHBondContact O-ND2 3.07Å
310	I	95.8	Very high	96.4	Very high	36 Å²	36	78.4 Å²	78.4	19%	0.185	40%	0.396	C	S	.	.	H	α-helix	trans	-67.3	-48.7	176.2	-74	173.3	0	0	0	110.6	F283 I287 L306 I307 N308 Y312 N313 V314	F283-I310 HydrophobicContact CD2-CG2 4.42Å; F283-I310 HydrophobicContact CE2-CG2 3.88Å; I287-I310 HydrophobicContact CG1-CD1 4.49Å; L306-I310 HydrophobicContact CD1-CD1 4.21Å; L306-I310 HydrophobicContact CD1-CG1 4.39Å; L306-I310 HydrophobicContact CD2-CD1 4.44Å; L306-I310 HydrophobicContact CG-CD1 3.93Å; L306-I310 HydrophobicContact CG-CG1 4.46Å; L306-I310 WeakPolarHBondContact O-CB 3.38Å; L306-I310 WeakPolarHBondContact O-CG1 3.47Å; L306-I310 PolarHBondContact O-N 3.05Å; I307-I310 PolarHBondContact O-N 3.47Å; N308-I310 VanDerWaalsContact C-N 3.32Å; N308-I310 PolarHBondContact O-N 3.45Å; I310-Y312 VanDerWaalsContact C-N 3.31Å; I310-Y312 PolarHBondContact O-N 2.89Å; I310-N313 PolarHBondContact O-N 3.47Å; I310-N313 VanDerWaalsContact O-N 3.07Å; I310-V314 HydrophobicContact CG2-CG2 3.94Å; I310-V314 WeakPolarHBondContact O-CB 3.2Å; I310-V314 VanDerWaalsContact O-CG2 3.31Å; I310-V314 WeakPolarHBondContact O-CG2 3.32Å; I310-V314 PolarHBondContact O-N 3.22Å
311	N	96.7	Very high	96.3	Very high	80 Å²	80	75 Å²	75	43%	0.428	38%	0.381	S	S	.	.	H	α-helix	trans	-53.6	-47.8	178.8	-75.9	-22.7	0	0	0	111.4	I307 N308 N313 V314 D315	I307-N311 WeakPolarHBondContact O-CB 3.38Å; I307-N311 VanDerWaalsContact O-CG 3.23Å; I307-N311 PolarHBondContact O-N 2.85Å; I307-N311 PolarHBondContact O-ND2 2.87Å; N308-N311 PolarHBondContact O-N 3.36Å; N311-N313 PolarHBondContact O-N 3.49Å; N311-V314 PolarHBondContact O-N 3.24Å; N311-D315 WeakPolarHBondContact O-CB 3.36Å; N311-D315 PolarHBondContact O-N 3.22Å
312	Y	96.1	Very high	96.3	Very high	159 Å²	159	76.6 Å²	76.6	62%	0.624	38%	0.376	S	S	*	.	H	α-helix	trans	-57	-45.9	176.1	176.3	-97	0	0	0	113.1	N308 I310 D315 K316	N308-Y312 PolarHBondContact O-N 3.33Å; N308-Y312 VanDerWaalsContact O-N 3.07Å; I310-Y312 VanDerWaalsContact C-N 3.31Å; I310-Y312 PolarHBondContact O-N 2.89Å; Y312-D315 PolarHBondContact O-N 3.06Å; Y312-K316 PolarHBondContact O-N 2.76Å
313	N	94.9	Very high	96.4	Very high	16 Å²	16	79.7 Å²	79.7	9%	0.086	39%	0.387	C	S	.	.	H	α-helix	trans	-70.1	-35.1	-179.6	-81.2	-78.9	0	0	0	112.6	Q279 L282 L286 K309 I310 N311 A317	Q279-N313 PolarHBondContact NE2-O 3.4Å; Q279-N313 PolarHBondContact NE2-OD1 2.86Å; L282-N313 WeakPolarHBondContact CD2-OD1 3.24Å; L286-N313 HydrophobicContact CD1-CB 4.33Å; K309-N313 PolarHBondContact O-N 3.27Å; K309-N313 PolarHBondContact O-ND2 3.07Å; I310-N313 PolarHBondContact O-N 3.47Å; I310-N313 VanDerWaalsContact O-N 3.07Å; N311-N313 PolarHBondContact O-N 3.49Å; N313-A317 WeakPolarHBondContact O-CB 3.41Å; N313-A317 PolarHBondContact O-N 3.49Å
314	V	96	Very high	96.4	Very high	57 Å²	57	78.1 Å²	78.1	35%	0.345	38%	0.38	S	S	.	.	H	α-helix	trans	-68.6	-42	174.7	171.8	0	0	0	0	110.8	F283 I310 N311 K316 A317 K318	F283-V314 HydrophobicContact CD2-CG2 3.6Å; F283-V314 HydrophobicContact CE2-CG2 3.31Å; F283-V314 HydrophobicContact CZ-CG2 4.06Å; I310-V314 HydrophobicContact CG2-CG2 3.94Å; I310-V314 WeakPolarHBondContact O-CB 3.2Å; I310-V314 VanDerWaalsContact O-CG2 3.31Å; I310-V314 WeakPolarHBondContact O-CG2 3.32Å; I310-V314 PolarHBondContact O-N 3.22Å; N311-V314 PolarHBondContact O-N 3.24Å; V314-K316 PolarHBondContact O-N 3.46Å; V314-A317 CarbonylContact O-C 3.56Å; V314-A317 WeakPolarHBondContact O-CB 3.31Å; V314-A317 PolarHBondContact O-N 3.05Å; V314-K318 WeakPolarHBondContact O-CB 3.49Å; V314-K318 PolarHBondContact O-N 3.12Å
315	D	97.3	Very high	96.3	Very high	85 Å²	85	75.4 Å²	75.4	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	-41.3	176.8	-80	-29.3	0	0	0	111.7	N311 Y312 K318 M319	N311-D315 WeakPolarHBondContact O-CB 3.36Å; N311-D315 PolarHBondContact O-N 3.22Å; Y312-D315 PolarHBondContact O-N 3.06Å; D315-K318 WeakPolarHBondContact O-CB 3.19Å; D315-K318 PolarHBondContact O-N 3.14Å; D315-M319 WeakPolarHBondContact O-CG 3.39Å; D315-M319 PolarHBondContact O-N 3.36Å
316	K	96.5	Very high	96.4	Very high	73 Å²	73	77.5 Å²	77.5	32%	0.317	38%	0.38	S	S	.	.	H	α-helix	trans	-62.1	-44.8	172.3	-170.4	178.5	172.3	-147.6	0	111.7	Q279 Y312 V314 K318 M319 L320	Q279-K316 HydrophobicContact CG-CG 4.46Å; Y312-K316 PolarHBondContact O-N 2.76Å; V314-K316 PolarHBondContact O-N 3.46Å; K316-K318 VanDerWaalsContact C-N 3.3Å; K316-K318 PolarHBondContact O-N 2.84Å; K316-M319 PolarHBondContact O-N 3.4Å; K316-L320 HydrophobicContact CG-CD1 4.21Å; K316-L320 WeakPolarHBondContact O-CG 3.49Å; K316-L320 PolarHBondContact O-N 3.07Å; K316-L320 VanDerWaalsContact O-N 3.11Å
317	A	95.7	Very high	96.3	Very high	9 Å²	9	76.9 Å²	76.9	7%	0.074	38%	0.381	C	S	.	.	H	α-helix	trans	-61.2	-39.5	175.6	0	0	0	0	0	112	Q279 N313 V314 S321	Q279-A317 HydrophobicContact CG-CB 3.81Å; N313-A317 WeakPolarHBondContact O-CB 3.41Å; N313-A317 PolarHBondContact O-N 3.49Å; V314-A317 CarbonylContact O-C 3.56Å; V314-A317 WeakPolarHBondContact O-CB 3.31Å; V314-A317 PolarHBondContact O-N 3.05Å; A317-S321 WeakPolarHBondContact O-CB 3.26Å; A317-S321 PolarHBondContact O-N 3.3Å; A317-S321 PolarHBondContact O-OG 2.8Å
318	K	97	Very high	96.2	Very high	109 Å²	109	76.8 Å²	76.8	47%	0.474	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-54.7	175.6	175.1	-167.4	167.2	-168.9	0	110.9	V314 D315 K316 L320 S321 E322	V314-K318 WeakPolarHBondContact O-CB 3.49Å; V314-K318 PolarHBondContact O-N 3.12Å; D315-K318 WeakPolarHBondContact O-CB 3.19Å; D315-K318 PolarHBondContact O-N 3.14Å; K316-K318 VanDerWaalsContact C-N 3.3Å; K316-K318 PolarHBondContact O-N 2.84Å; K318-L320 VanDerWaalsContact C-N 3.31Å; K318-L320 PolarHBondContact O-N 3.17Å; K318-S321 CarbonylContact O-C 3.58Å; K318-S321 PolarHBondContact O-N 2.85Å; K318-S321 VanDerWaalsContact O-N 3.09Å; K318-E322 WeakPolarHBondContact CE-OE1 3.43Å; K318-E322 HydrophobicContact CG-CG 4.4Å; K318-E322 WeakPolarHBondContact O-CB 3.5Å; K318-E322 WeakPolarHBondContact O-CG 3.28Å; K318-E322 PolarHBondContact O-N 2.97Å
319	M	97.2	Very high	96.1	Very high	122 Å²	122	73.8 Å²	73.8	60%	0.601	38%	0.375	S	S	*	.	H	α-helix	trans	-57.4	-44	-179.3	-71.5	-173.6	-70.2	0	0	112	D315 K316 E322 K323	D315-M319 WeakPolarHBondContact O-CG 3.39Å; D315-M319 PolarHBondContact O-N 3.36Å; K316-M319 PolarHBondContact O-N 3.4Å; M319-E322 PolarHBondContact O-N 3.34Å; M319-K323 PolarHBondContact O-N 3.38Å
320	L	96.7	Very high	96	Very high	35 Å²	35	72.8 Å²	72.8	18%	0.183	38%	0.379	C	S	.	.	H	α-helix	trans	-64.5	-41.9	175.9	-70.1	167.2	0	0	0	112	E275 V276 Q279 K316 K318 K323 L324	E275-L320 HydrophobicContact CG-CD1 3.81Å; E275-L320 HydrophobicContact CG-CD2 3.83Å; E275-L320 HydrophobicContact CG-CG 4.45Å; V276-L320 HydrophobicContact CG2-CB 3.72Å; Q279-L320 HydrophobicContact CB-CD1 4.1Å; Q279-L320 HydrophobicContact CG-CD1 4.24Å; K316-L320 HydrophobicContact CG-CD1 4.21Å; K316-L320 WeakPolarHBondContact O-CG 3.49Å; K316-L320 PolarHBondContact O-N 3.07Å; K316-L320 VanDerWaalsContact O-N 3.11Å; K318-L320 VanDerWaalsContact C-N 3.31Å; K318-L320 PolarHBondContact O-N 3.17Å; L320-K323 PolarHBondContact O-N 2.82Å; L320-L324 WeakPolarHBondContact O-CB 3.48Å; L320-L324 PolarHBondContact O-N 2.77Å
321	S	96.1	Very high	95.9	Very high	38 Å²	38	73.9 Å²	73.9	27%	0.266	38%	0.382	S	S	.	.	H	α-helix	trans	-68.7	-34.3	178.4	-63.1	0	0	0	0	112.8	A317 K318 S325	A317-S321 WeakPolarHBondContact O-CB 3.26Å; A317-S321 PolarHBondContact O-N 3.3Å; A317-S321 PolarHBondContact O-OG 2.8Å; K318-S321 CarbonylContact O-C 3.58Å; K318-S321 PolarHBondContact O-N 2.85Å; K318-S321 VanDerWaalsContact O-N 3.09Å; S321-S325 VanDerWaalsContact O-CB 3.28Å; S321-S325 WeakPolarHBondContact O-CB 3.28Å; S321-S325 PolarHBondContact O-N 2.88Å; S321-S325 PolarHBondContact O-OG 3.11Å
322	E	97.5	Very high	95.6	Very high	108 Å²	108	75.4 Å²	75.4	51%	0.505	39%	0.387	S	S	.	.	H	α-helix	trans	-67.5	-46.3	173.8	-77	177.6	173.7	0	0	110.8	K318 M319 L324 S325 F326	K318-E322 WeakPolarHBondContact CE-OE1 3.43Å; K318-E322 HydrophobicContact CG-CG 4.4Å; K318-E322 WeakPolarHBondContact O-CB 3.5Å; K318-E322 WeakPolarHBondContact O-CG 3.28Å; K318-E322 PolarHBondContact O-N 2.97Å; M319-E322 PolarHBondContact O-N 3.34Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 2.71Å; E322-S325 WeakPolarHBondContact O-CB 3.36Å; E322-S325 PolarHBondContact O-N 2.71Å; E322-S325 VanDerWaalsContact O-N 3.11Å; E322-F326 PolarHBondContact O-N 2.85Å
323	K	96.7	Very high	95.5	Very high	135 Å²	135	69.9 Å²	69.9	59%	0.587	38%	0.378	S	S	*	.	H	α-helix	trans	-57.6	-45	173	-175.9	178.2	175.5	176	0	111.5	I272 M319 L320 S325 G327	I272-K323 HydrophobicContact CD1-CD 4.39Å; I272-K323 HydrophobicContact CD1-CG 4.31Å; M319-K323 PolarHBondContact O-N 3.38Å; L320-K323 PolarHBondContact O-N 2.82Å; K323-S325 VanDerWaalsContact C-N 3.35Å; K323-G327 PolarHBondContact O-N 3.37Å
324	L	96.8	Very high	95.4	Very high	22 Å²	22	72.7 Å²	72.7	12%	0.115	39%	0.393	C	S	.	.	H	α-helix	trans	-60.9	-44.2	174.4	-179.5	60.6	0	0	0	111.4	L269 I272 V276 L320 E322 G327 I328	L269-L324 HydrophobicContact CD2-CD1 4.31Å; I272-L324 HydrophobicContact CB-CD1 4.28Å; I272-L324 HydrophobicContact CG2-CB 3.81Å; I272-L324 HydrophobicContact CG2-CD1 4.17Å; V276-L324 HydrophobicContact CB-CD2 4.37Å; V276-L324 HydrophobicContact CG2-CB 4.3Å; V276-L324 HydrophobicContact CG2-CD2 4.03Å; L320-L324 WeakPolarHBondContact O-CB 3.48Å; L320-L324 PolarHBondContact O-N 2.77Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 2.71Å; L324-G327 PolarHBondContact O-N 3.36Å; L324-I328 HydrophobicContact CD1-CD1 3.96Å; L324-I328 HydrophobicContact CD1-CG1 4.16Å; L324-I328 HydrophobicContact CD2-CD1 4.41Å; L324-I328 HydrophobicContact CG-CD1 3.78Å; L324-I328 HydrophobicContact CG-CG1 4.37Å; L324-I328 VanDerWaalsContact O-CG1 3.28Å; L324-I328 WeakPolarHBondContact O-CG1 3.24Å; L324-I328 PolarHBondContact O-N 2.83Å
325	S	95.9	Very high	95	Very high	62 Å²	62	71.3 Å²	71.3	43%	0.434	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-43.3	-178.4	-63.6	0	0	0	0	112.1	S321 E322 K323 G327 I328 G329	S321-S325 VanDerWaalsContact O-CB 3.28Å; S321-S325 WeakPolarHBondContact O-CB 3.28Å; S321-S325 PolarHBondContact O-N 2.88Å; S321-S325 PolarHBondContact O-OG 3.11Å; E322-S325 WeakPolarHBondContact O-CB 3.36Å; E322-S325 PolarHBondContact O-N 2.71Å; E322-S325 VanDerWaalsContact O-N 3.11Å; K323-S325 VanDerWaalsContact C-N 3.35Å; S325-G327 VanDerWaalsContact C-N 3.35Å; S325-I328 PolarHBondContact O-N 3.42Å; S325-G329 PolarHBondContact O-N 3Å
326	F	96.1	Very high	94.7	Very high	174 Å²	174	71.3 Å²	71.3	76%	0.763	39%	0.385	S	S	*	.	H	α-helix	trans	-65.1	-40.6	174.9	-167	-95.7	0	0	0	111.4	E322 G329 S330	E322-F326 PolarHBondContact O-N 2.85Å; F326-G329 PolarHBondContact O-N 2.76Å; F326-S330 WeakPolarHBondContact O-CB 3.38Å; F326-S330 PolarHBondContact O-N 3.47Å
327	G	95	Very high	94.4	Very high	19 Å²	19	73.6 Å²	73.6	20%	0.196	40%	0.401	C	S	.	.	H	α-helix	trans	-60.3	-47.2	173.5	0	0	0	0	0	113.1	L269 K323 L324 S325 G329 S330 F331	L269-G327 VanDerWaalsContact CD2-C 3.46Å; K323-G327 PolarHBondContact O-N 3.37Å; L324-G327 PolarHBondContact O-N 3.36Å; S325-G327 VanDerWaalsContact C-N 3.35Å; G327-G329 VanDerWaalsContact C-N 3.33Å; G327-G329 PolarHBondContact O-N 3.43Å; G327-S330 PolarHBondContact O-N 2.91Å; G327-F331 WeakPolarHBondContact O-CB 3.46Å; G327-F331 PolarHBondContact O-N 3.36Å
328	I	93.9	Very high	94.1	Very high	84 Å²	84	75.4 Å²	75.4	43%	0.431	41%	0.411	S	S	.	.	H	α-helix	trans	-62.8	-41.5	175.3	-68.8	168.3	0	0	0	110.5	L269 L324 S325 F331 Q332	L269-I328 HydrophobicContact CD2-CG1 4.35Å; L324-I328 HydrophobicContact CD1-CD1 3.96Å; L324-I328 HydrophobicContact CD1-CG1 4.16Å; L324-I328 HydrophobicContact CD2-CD1 4.41Å; L324-I328 HydrophobicContact CG-CD1 3.78Å; L324-I328 HydrophobicContact CG-CG1 4.37Å; L324-I328 VanDerWaalsContact O-CG1 3.28Å; L324-I328 WeakPolarHBondContact O-CG1 3.24Å; L324-I328 PolarHBondContact O-N 2.83Å; S325-I328 PolarHBondContact O-N 3.42Å; I328-F331 PolarHBondContact O-N 3.29Å; I328-Q332 VanDerWaalsContact O-CB 3.25Å; I328-Q332 WeakPolarHBondContact O-CB 3.35Å; I328-Q332 PolarHBondContact O-N 3.12Å
329	G	95.1	Very high	93.6	Very high	43 Å²	43	72.7 Å²	72.7	44%	0.443	40%	0.401	S	S	.	.	H	α-helix	trans	-59.7	-49.4	177.4	0	0	0	0	0	112.2	S325 F326 G327 Q332 G333	S325-G329 PolarHBondContact O-N 3Å; F326-G329 PolarHBondContact O-N 2.76Å; G327-G329 VanDerWaalsContact C-N 3.33Å; G327-G329 PolarHBondContact O-N 3.43Å; G329-Q332 PolarHBondContact O-N 3.37Å; G329-G333 PolarHBondContact O-N 3.26Å
330	S	93.4	Very high	93.3	Very high	63 Å²	63	71.2 Å²	71.2	44%	0.441	40%	0.396	S	S	.	.	H	α-helix	trans	-59.8	-48.8	175.3	178.7	0	0	0	0	111.8	F326 G327 Q332 G333 L334	F326-S330 WeakPolarHBondContact O-CB 3.38Å; F326-S330 PolarHBondContact O-N 3.47Å; G327-S330 PolarHBondContact O-N 2.91Å; S330-Q332 PolarHBondContact O-N 3.1Å; S330-G333 PolarHBondContact O-N 3.09Å; S330-L334 WeakPolarHBondContact O-CB 3.45Å; S330-L334 PolarHBondContact O-N 2.74Å
331	F	92.7	Very high	93	Very high	59 Å²	59	71.4 Å²	71.4	26%	0.259	41%	0.407	S	S	.	.	H	α-helix	trans	-59.1	-46	177.5	175.7	-97.5	0	0	0	112.7	M265 L269 G327 I328 S335	M265-F331 HydrophobicContact CB-CD2 3.74Å; M265-F331 HydrophobicContact CB-CE2 4.22Å; M265-F331 HydrophobicContact CE-CB 4.09Å; M265-F331 HydrophobicContact CE-CD2 4.3Å; M265-F331 HydrophobicContact SD-CD2 4.19Å; L269-F331 HydrophobicContact CD1-CB 3.69Å; L269-F331 HydrophobicContact CD1-CD1 4.32Å; L269-F331 HydrophobicContact CD1-CD2 4.2Å; L269-F331 HydrophobicContact CD1-CG 3.81Å; G327-F331 WeakPolarHBondContact O-CB 3.46Å; G327-F331 PolarHBondContact O-N 3.36Å; I328-F331 PolarHBondContact O-N 3.29Å; F331-S335 WeakPolarHBondContact O-CB 3.26Å; F331-S335 PolarHBondContact O-N 3.36Å; F331-S335 PolarHBondContact O-OG 3.14Å
332	Q	91.1	Very high	92.6	Very high	112 Å²	112	70.9 Å²	70.9	52%	0.523	40%	0.402	S	S	.	.	H	α-helix	trans	-69.4	-39.1	-179.2	-175.5	60.2	74.6	0	0	112	I328 G329 S330 N336	I328-Q332 VanDerWaalsContact O-CB 3.25Å; I328-Q332 WeakPolarHBondContact O-CB 3.35Å; I328-Q332 PolarHBondContact O-N 3.12Å; G329-Q332 PolarHBondContact O-N 3.37Å; S330-Q332 PolarHBondContact O-N 3.1Å; Q332-N336 VanDerWaalsContact O-CB 3.23Å; Q332-N336 WeakPolarHBondContact O-CB 3.33Å; Q332-N336 PolarHBondContact O-N 3.49Å
333	G	94.1	Very high	92.2	Very high	43 Å²	43	67.2 Å²	67.2	44%	0.443	39%	0.387	S	S	.	.	H	α-helix	trans	-64.1	-50.8	176.3	0	0	0	0	0	111.7	G329 S330 N336 L337	G329-G333 PolarHBondContact O-N 3.26Å; S330-G333 PolarHBondContact O-N 3.09Å; G333-N336 PolarHBondContact O-N 2.89Å; G333-L337 PolarHBondContact O-N 3.24Å
334	L	92.1	Very high	91.9	Very high	74 Å²	74	66.5 Å²	66.5	39%	0.387	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-45.5	177.5	-175.5	61.9	0	0	0	111.5	M265 S330 N336 L337 T338	M265-L334 HydrophobicContact CE-CD2 4.45Å; M265-L334 HydrophobicContact SD-CD2 3.86Å; S330-L334 WeakPolarHBondContact O-CB 3.45Å; S330-L334 PolarHBondContact O-N 2.74Å; L334-N336 VanDerWaalsContact C-N 3.29Å; L334-N336 PolarHBondContact O-N 3.37Å; L334-L337 PolarHBondContact O-N 3.36Å; L334-T338 WeakPolarHBondContact O-CB 3.38Å; L334-T338 PolarHBondContact O-N 3.05Å; L334-T338 PolarHBondContact O-OG1 3.1Å
335	S	88.5	Confident	91.6	Very high	29 Å²	29	67 Å²	67	20%	0.203	40%	0.399	C	S	.	.	H	α-helix	trans	-59.7	-40.5	176.8	-60.8	0	0	0	0	111.9	F331 T338 L339	F331-S335 WeakPolarHBondContact O-CB 3.26Å; F331-S335 PolarHBondContact O-N 3.36Å; F331-S335 PolarHBondContact O-OG 3.14Å; S335-T338 PolarHBondContact O-N 3.14Å; S335-L339 WeakPolarHBondContact O-CB 3.5Å; S335-L339 WeakPolarHBondContact O-CD1 3.16Å; S335-L339 WeakPolarHBondContact O-CG 3.32Å; S335-L339 PolarHBondContact O-N 3.29Å
336	N	90.5	Very high	91.3	Very high	84 Å²	84	64.6 Å²	64.6	45%	0.449	38%	0.382	S	S	.	.	H	α-helix	trans	-66.4	-43.3	177.4	-171.2	-89.7	0	0	0	111.6	Q332 G333 L334 L339 N340	Q332-N336 VanDerWaalsContact O-CB 3.23Å; Q332-N336 WeakPolarHBondContact O-CB 3.33Å; Q332-N336 PolarHBondContact O-N 3.49Å; G333-N336 PolarHBondContact O-N 2.89Å; L334-N336 VanDerWaalsContact C-N 3.29Å; L334-N336 PolarHBondContact O-N 3.37Å; N336-L339 PolarHBondContact O-N 3.42Å; N336-N340 WeakPolarHBondContact O-CB 3.19Å; N336-N340 PolarHBondContact O-N 3.24Å; N336-N340 PolarHBondContact O-ND2 3.31Å; N336-N340 PolarHBondContact OD1-ND2 2.72Å
337	L	91.2	Very high	91.1	Very high	121 Å²	121	60 Å²	60	63%	0.634	37%	0.365	S	S	*	.	H	α-helix	trans	-59.6	-47.6	174.5	-179.8	65.1	0	0	0	111.3	G333 L334 G341	G333-L337 PolarHBondContact O-N 3.24Å; L334-L337 PolarHBondContact O-N 3.36Å; L337-G341 PolarHBondContact O-N 3.28Å
338	T	88.8	Confident	90.9	Very high	48 Å²	48	67.8 Å²	67.8	29%	0.294	39%	0.39	S	S	.	.	H	α-helix	trans	-62.5	-45.7	178.8	-56.9	0	0	0	0	111.9	V258 L334 S335 G341 V342	V258-T338 HydrophobicContact CB-CG2 4.3Å; V258-T338 HydrophobicContact CG1-CG2 3.93Å; V258-T338 HydrophobicContact CG2-CG2 3.47Å; V258-T338 VanDerWaalsContact CG2-CG2 3.47Å; L334-T338 WeakPolarHBondContact O-CB 3.38Å; L334-T338 PolarHBondContact O-N 3.05Å; L334-T338 PolarHBondContact O-OG1 3.1Å; S335-T338 PolarHBondContact O-N 3.14Å; T338-G341 PolarHBondContact O-N 2.98Å; T338-V342 WeakPolarHBondContact O-CG2 3.22Å; T338-V342 PolarHBondContact O-N 3.48Å
339	L	86.4	Confident	90.8	Very high	51 Å²	51	66.7 Å²	66.7	27%	0.267	39%	0.386	S	S	.	.	H	α-helix	trans	-67.7	-41.4	-179.4	-69.6	166	0	0	0	112.2	S335 N336 G341 V342 V343 Q375	S335-L339 WeakPolarHBondContact O-CB 3.5Å; S335-L339 WeakPolarHBondContact O-CD1 3.16Å; S335-L339 WeakPolarHBondContact O-CG 3.32Å; S335-L339 PolarHBondContact O-N 3.29Å; N336-L339 PolarHBondContact O-N 3.42Å; L339-G341 VanDerWaalsContact C-N 3.3Å; L339-V342 WeakPolarHBondContact O-CB 3.39Å; L339-V342 PolarHBondContact O-N 2.88Å; L339-V343 PolarHBondContact O-N 3.39Å; L339-Q375 HydrophobicContact CD1-CG 4.37Å; L339-Q375 HydrophobicContact CD2-CG 4.05Å
340	N	90.3	Very high	90.6	Very high	91 Å²	91	64.6 Å²	64.6	49%	0.487	37%	0.365	S	S	.	.	H	α-helix	trans	-67.2	-34.2	172.6	-73.9	-34.6	0	0	0	111.7	N336 V342 V343 L344	N336-N340 WeakPolarHBondContact O-CB 3.19Å; N336-N340 PolarHBondContact O-N 3.24Å; N336-N340 PolarHBondContact O-ND2 3.31Å; N336-N340 PolarHBondContact OD1-ND2 2.72Å; N340-V342 VanDerWaalsContact C-N 3.31Å; N340-V342 PolarHBondContact O-N 3.33Å; N340-V343 WeakPolarHBondContact O-CB 3.5Å; N340-V343 PolarHBondContact O-N 3.21Å; N340-L344 PolarHBondContact O-N 3.37Å
341	G	90.3	Very high	90.5	Very high	40 Å²	40	63.1 Å²	63.1	41%	0.412	36%	0.36	S	S	.	.	H	α-helix	trans	-60.8	-38.5	171.6	0	0	0	0	0	112.5	L337 T338 L339 L344 G345	L337-G341 PolarHBondContact O-N 3.28Å; T338-G341 PolarHBondContact O-N 2.98Å; L339-G341 VanDerWaalsContact C-N 3.3Å; G341-L344 PolarHBondContact O-N 3.31Å; G341-G345 PolarHBondContact O-N 3.36Å
342	V	87.9	Confident	90.4	Very high	27 Å²	27	64.5 Å²	64.5	16%	0.164	37%	0.367	C	S	.	.	H	α-helix	trans	-62.1	-44.4	172.1	170.2	0	0	0	0	111.1	L251 T338 L339 N340 L344 G345 V346	L251-V342 HydrophobicContact CD1-CG1 3.35Å; T338-V342 WeakPolarHBondContact O-CG2 3.22Å; T338-V342 PolarHBondContact O-N 3.48Å; L339-V342 WeakPolarHBondContact O-CB 3.39Å; L339-V342 PolarHBondContact O-N 2.88Å; N340-V342 VanDerWaalsContact C-N 3.31Å; N340-V342 PolarHBondContact O-N 3.33Å; V342-L344 VanDerWaalsContact C-N 3.34Å; V342-L344 PolarHBondContact O-N 3.35Å; V342-G345 PolarHBondContact O-N 3.48Å; V342-V346 HydrophobicContact CG1-CG2 4.48Å; V342-V346 WeakPolarHBondContact O-CG2 3.45Å; V342-V346 PolarHBondContact O-N 3.07Å
343	V	90.2	Very high	90.4	Very high	31 Å²	31	60 Å²	60	19%	0.188	35%	0.346	C	S	.	.	H	α-helix	trans	-60.1	-44	175.9	174.5	0	0	0	0	111.3	L339 N340 V346 L347 L368	L339-V343 PolarHBondContact O-N 3.39Å; N340-V343 WeakPolarHBondContact O-CB 3.5Å; N340-V343 PolarHBondContact O-N 3.21Å; V343-V346 PolarHBondContact O-N 3.39Å; V343-L347 HydrophobicContact CG1-CD1 4.37Å; V343-L347 PolarHBondContact O-N 3.21Å; V343-L368 HydrophobicContact CG1-CD2 4.13Å
344	L	90.8	Very high	90.1	Very high	119 Å²	119	61 Å²	61	62%	0.623	34%	0.34	S	S	*	.	H	α-helix	trans	-63.9	-41.2	176.2	-177	62	0	0	0	111.9	N340 G341 V342 L347 Y348	N340-L344 PolarHBondContact O-N 3.37Å; G341-L344 PolarHBondContact O-N 3.31Å; V342-L344 VanDerWaalsContact C-N 3.34Å; V342-L344 PolarHBondContact O-N 3.35Å; L344-L347 PolarHBondContact O-N 3.09Å; L344-Y348 WeakPolarHBondContact O-CB 3.32Å; L344-Y348 PolarHBondContact O-N 3.46Å
345	G	89.8	Confident	90	Very high	33 Å²	33	62 Å²	62	34%	0.34	35%	0.353	S	S	.	.	H	α-helix	trans	-61.7	-42.6	175.3	0	0	0	0	0	112.5	G341 V342 Y348 V349	G341-G345 PolarHBondContact O-N 3.36Å; V342-G345 PolarHBondContact O-N 3.48Å; G345-Y348 PolarHBondContact O-N 2.97Å; G345-V349 WeakPolarHBondContact O-CG2 3.4Å; G345-V349 PolarHBondContact O-N 3.47Å
346	V	89.8	Confident	90	Very high	11 Å²	11	68.1 Å²	68.1	7%	0.067	37%	0.372	C	S	.	.	H	α-helix	trans	-62.8	-42.1	174.2	170.8	0	0	0	0	111.3	V342 V343 G350 L364 F367 L368	V342-V346 HydrophobicContact CG1-CG2 4.48Å; V342-V346 WeakPolarHBondContact O-CG2 3.45Å; V342-V346 PolarHBondContact O-N 3.07Å; V343-V346 PolarHBondContact O-N 3.39Å; V346-G350 VanDerWaalsContact O-CA 3.28Å; V346-G350 WeakPolarHBondContact O-CA 2.93Å; V346-G350 PolarHBondContact O-N 2.73Å; V346-L364 HydrophobicContact CG1-CD1 4.43Å; V346-F367 HydrophobicContact CG1-CD1 3.52Å; V346-F367 HydrophobicContact CG1-CE1 3.8Å; V346-F367 HydrophobicContact CG2-CD1 4.48Å; V346-F367 HydrophobicContact CG2-CE1 3.98Å; V346-L368 HydrophobicContact CB-CD2 4.1Å; V346-L368 HydrophobicContact CG1-CD2 3.56Å; V346-L368 HydrophobicContact CG1-CG 4.14Å
347	L	91.2	Very high	89.6	Confident	78 Å²	78	67.3 Å²	67.3	41%	0.408	38%	0.383	S	S	.	.	H	α-helix	trans	-63.6	-42.6	175.5	-80.5	168	0	0	0	112.5	V343 L344 G351 L364 L368	V343-L347 HydrophobicContact CG1-CD1 4.37Å; V343-L347 PolarHBondContact O-N 3.21Å; L344-L347 PolarHBondContact O-N 3.09Å; L347-G351 WeakPolarHBondContact O-CA 3.18Å; L347-G351 PolarHBondContact O-N 2.8Å; L347-L364 HydrophobicContact CD2-CD2 4.47Å; L347-L368 HydrophobicContact CD2-CD1 3.6Å; L347-L368 HydrophobicContact CD2-CD2 4.43Å; L347-L368 HydrophobicContact CG-CD1 4.2Å; L347-L368 HydrophobicContact CG-CD2 4.14Å
348	Y	91.5	Very high	89.3	Confident	183 Å²	183	67.2 Å²	67.2	72%	0.718	38%	0.379	S	S	*	.	H	α-helix	trans	-67.3	-53.2	-179.6	-176.9	-95.8	0	0	0	111.9	L344 G345 G351 H352	L344-Y348 WeakPolarHBondContact O-CB 3.32Å; L344-Y348 PolarHBondContact O-N 3.46Å; G345-Y348 PolarHBondContact O-N 2.97Å; Y348-G351 PolarHBondContact O-N 3.46Å; Y348-H352 PolarHBondContact O-N 3.12Å
349	V	90.9	Very high	89.2	Confident	60 Å²	60	65.6 Å²	65.6	36%	0.364	37%	0.369	S	S	.	.	H	α-helix	trans	-68.1	-39.7	179.9	-178.1	0	0	0	0	110.7	L247 G345 H352 L353	L247-V349 HydrophobicContact CD2-CB 3.88Å; L247-V349 HydrophobicContact CD2-CG1 3.54Å; G345-V349 WeakPolarHBondContact O-CG2 3.4Å; G345-V349 PolarHBondContact O-N 3.47Å; V349-H352 PolarHBondContact O-N 2.95Å; V349-L353 HydrophobicContact CG1-CD1 4.21Å; V349-L353 WeakPolarHBondContact O-CG 3.37Å; V349-L353 PolarHBondContact O-N 2.8Å
350	G	91.5	Very high	89.3	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-66.4	-38.4	176.7	0	0	0	0	0	113	V346 H352 L353 M354	V346-G350 VanDerWaalsContact O-CA 3.28Å; V346-G350 WeakPolarHBondContact O-CA 2.93Å; V346-G350 PolarHBondContact O-N 2.73Å; G350-H352 VanDerWaalsContact C-N 3.35Å; G350-L353 PolarHBondContact O-N 3.41Å; G350-M354 WeakPolarHBondContact O-CB 3.48Å; G350-M354 PolarHBondContact O-N 2.94Å
351	G	90.3	Very high	89.2	Confident	31 Å²	31	63 Å²	63	32%	0.32	36%	0.359	S	S	.	.	H	α-helix	trans	-65.1	-37.1	173.2	0	0	0	0	0	112.7	L347 Y348 M354 S355	L347-G351 WeakPolarHBondContact O-CA 3.18Å; L347-G351 PolarHBondContact O-N 2.8Å; Y348-G351 PolarHBondContact O-N 3.46Å; G351-M354 PolarHBondContact O-N 2.91Å; G351-S355 PolarHBondContact O-N 2.93Å
352	H	91	Very high	89.2	Confident	88 Å²	88	61 Å²	61	41%	0.407	34%	0.34	S	S	.	.	H	α-helix	trans	-67.6	-37	173.5	-173.7	74.2	0	0	0	113.1	Y348 V349 G350 M354 S355 R356	Y348-H352 PolarHBondContact O-N 3.12Å; V349-H352 PolarHBondContact O-N 2.95Å; G350-H352 VanDerWaalsContact C-N 3.35Å; H352-M354 VanDerWaalsContact C-N 3.34Å; H352-S355 PolarHBondContact O-OG 3.45Å; H352-R356 PolarHBondContact NE2-NE 3.04Å; H352-R356 PolarHBondContact NE2-NH2 2.87Å; H352-R356 VanDerWaalsContact NE2-NH2 3.16Å; H352-R356 PolarHBondContact O-N 3.03Å
353	L	90.6	Very high	89.4	Confident	17 Å²	17	64 Å²	64	9%	0.089	35%	0.352	C	S	.	.	H	α-helix	trans	-68.8	-35.4	172.7	-72.6	159.9	0	0	0	111.8	L247 V349 G350 R356 G357 E358 L359	L247-L353 HydrophobicContact CD1-CD1 3.99Å; L247-L353 HydrophobicContact CD2-CD1 3.57Å; L247-L353 HydrophobicContact CG-CD1 3.45Å; L247-L353 VanDerWaalsContact CG-CD1 3.45Å; V349-L353 HydrophobicContact CG1-CD1 4.21Å; V349-L353 WeakPolarHBondContact O-CG 3.37Å; V349-L353 PolarHBondContact O-N 2.8Å; G350-L353 PolarHBondContact O-N 3.41Å; L353-R356 PolarHBondContact O-N 3.42Å; L353-G357 PolarHBondContact O-N 3.22Å; L353-E358 HydrophobicContact CD2-CB 4.39Å; L353-E358 WeakPolarHBondContact CD2-OE2 3.34Å; L353-E358 PolarHBondContact O-N 3.34Å; L353-L359 HydrophobicContact CB-CB 4.15Å
354	M	89.2	Confident	89.5	Confident	66 Å²	66	63.3 Å²	63.3	33%	0.325	35%	0.347	S	S	.	.	H	α-helix	trans	-67.4	-40.3	175.3	-176.6	-177.1	-57.4	0	0	112.3	G350 G351 H352 R356 G357 L359 A361 L364	G350-M354 WeakPolarHBondContact O-CB 3.48Å; G350-M354 PolarHBondContact O-N 2.94Å; G351-M354 PolarHBondContact O-N 2.91Å; H352-M354 VanDerWaalsContact C-N 3.34Å; M354-R356 PolarHBondContact O-N 3.43Å; M354-G357 PolarHBondContact O-N 2.9Å; M354-L359 WeakPolarHBondContact CA-O 3.11Å; M354-L359 WeakPolarHBondContact CG-O 3.23Å; M354-A361 HydrophobicContact CE-CB 4.23Å; M354-L364 HydrophobicContact CE-CB 3.7Å; M354-L364 HydrophobicContact CE-CD2 3.47Å; M354-L364 VanDerWaalsContact CE-CD2 3.47Å; M354-L364 HydrophobicContact CE-CG 4.22Å
355	S	88.4	Confident	89.6	Confident	94 Å²	94	61.1 Å²	61.1	66%	0.657	33%	0.334	S	S	*	.	H	α-helix	trans	-65.4	-24.9	177.4	72.7	0	0	0	0	113.1	G351 H352 G357	G351-S355 PolarHBondContact O-N 2.93Å; H352-S355 PolarHBondContact O-OG 3.45Å; S355-G357 VanDerWaalsContact C-N 3.3Å
356	R	89.3	Confident	89.8	Confident	157 Å²	157	59.8 Å²	59.8	59%	0.592	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-3.7	171.8	-69.2	-178.2	174.5	179.7	-1.9	114.1	H352 L353 M354 E358	H352-R356 PolarHBondContact NE2-NE 3.04Å; H352-R356 PolarHBondContact NE2-NH2 2.87Å; H352-R356 VanDerWaalsContact NE2-NH2 3.16Å; H352-R356 PolarHBondContact O-N 3.03Å; L353-R356 PolarHBondContact O-N 3.42Å; M354-R356 PolarHBondContact O-N 3.43Å; R356-E358 HydrophobicContact CB-CG 4.07Å; R356-E358 WeakPolarHBondContact CD-OE1 3.47Å; R356-E358 PolarHBondContact O-N 3.15Å
357	G	83.2	Confident	90	Very high	67 Å²	67	59.2 Å²	59.2	69%	0.691	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	10.9	-175.1	0	0	0	0	0	114.2	L353 M354 S355 L359	L353-G357 PolarHBondContact O-N 3.22Å; M354-G357 PolarHBondContact O-N 2.9Å; S355-G357 VanDerWaalsContact C-N 3.3Å; G357-L359 VanDerWaalsContact C-N 3.31Å
358	E	83.6	Confident	90.1	Very high	119 Å²	119	56.6 Å²	56.6	56%	0.556	30%	0.303	S	S	*	.	S	Bend	trans	-79.1	-16.6	179	-64.8	177.4	-150.8	0	0	112.2	L353 R356	L353-E358 HydrophobicContact CD2-CB 4.39Å; L353-E358 WeakPolarHBondContact CD2-OE2 3.34Å; L353-E358 PolarHBondContact O-N 3.34Å; R356-E358 HydrophobicContact CB-CG 4.07Å; R356-E358 WeakPolarHBondContact CD-OE1 3.47Å; R356-E358 PolarHBondContact O-N 3.15Å
359	L	87.2	Confident	90.2	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.073	28%	0.275	C	S	.	.	S	Bend	trans	-146.9	131.3	-172.6	-161.9	135	0	0	0	111.8	L247 L353 M354 G357 H363 L364	L247-L359 HydrophobicContact CD1-CD1 3.66Å; L353-L359 HydrophobicContact CB-CB 4.15Å; M354-L359 WeakPolarHBondContact CA-O 3.11Å; M354-L359 WeakPolarHBondContact CG-O 3.23Å; G357-L359 VanDerWaalsContact C-N 3.31Å; L359-H363 HydrophobicContact CD2-CB 4.07Å; L359-H363 HydrophobicContact CG-CB 3.96Å; L359-L364 HydrophobicContact CD2-CB 3.56Å; L359-L364 HydrophobicContact CD2-CD1 4.43Å
360	D	87.7	Confident	90.3	Very high	57 Å²	57	45.9 Å²	45.9	31%	0.305	26%	0.258	S	S	.	.			trans	-84.9	156.8	178.8	-176.7	31.1	0	0	0	112.3	S128 G362 H363 L364	S128-D360 VanDerWaalsContact CB-OD2 3.25Å; S128-D360 WeakPolarHBondContact CB-OD2 3.39Å; S128-D360 PolarHBondContact OG-OD2 2.96Å; D360-G362 VanDerWaalsContact C-N 3.27Å; D360-G362 PolarHBondContact O-N 2.96Å; D360-H363 WeakPolarHBondContact O-CB 3.23Å; D360-H363 PolarHBondContact O-N 3.37Å; D360-L364 PolarHBondContact O-N 3.37Å
361	A	88.6	Confident	90.3	Very high	30 Å²	30	46.4 Å²	46.4	25%	0.248	26%	0.261	C	S	.	.	H	α-helix	trans	-53.3	-40.7	177.5	0	0	0	0	0	113.1	V127 M354 L364 M365	V127-A361 HydrophobicContact CG1-CB 4.47Å; M354-A361 HydrophobicContact CE-CB 4.23Å; A361-L364 PolarHBondContact O-N 3.5Å; A361-M365 PolarHBondContact O-N 3.12Å
362	G	90.7	Very high	90.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-72.3	-30.7	176.9	0	0	0	0	0	114	G124 S128 D360 M365 S366	G124-G362 VanDerWaalsContact CA-O 3.23Å; G124-G362 WeakPolarHBondContact CA-O 3.42Å; G124-G362 WeakPolarHBondContact O-CA 3.49Å; S128-G362 VanDerWaalsContact OG-CA 3.25Å; S128-G362 WeakPolarHBondContact OG-CA 3.18Å; S128-G362 PolarHBondContact OG-N 3.39Å; D360-G362 VanDerWaalsContact C-N 3.27Å; D360-G362 PolarHBondContact O-N 2.96Å; G362-M365 PolarHBondContact O-N 3.37Å; G362-S366 WeakPolarHBondContact O-CB 3.45Å; G362-S366 PolarHBondContact O-N 3.06Å; G362-S366 PolarHBondContact O-OG 3.19Å
363	H	92.5	Very high	90.4	Very high	89 Å²	89	45.3 Å²	45.3	41%	0.412	25%	0.249	S	C	.	.	H	α-helix	trans	-66.7	-40.2	171.3	-70.4	130.4	0	0	0	111.2	I243 L359 D360 S366 F367	I243-H363 HydrophobicContact CG2-CB 3.94Å; L359-H363 HydrophobicContact CD2-CB 4.07Å; L359-H363 HydrophobicContact CG-CB 3.96Å; D360-H363 WeakPolarHBondContact O-CB 3.23Å; D360-H363 PolarHBondContact O-N 3.37Å; H363-S366 WeakPolarHBondContact O-CB 3.15Å; H363-S366 PolarHBondContact O-N 3.44Å; H363-F367 WeakPolarHBondContact O-CB 3.36Å; H363-F367 PolarHBondContact O-N 3.31Å
364	L	92.4	Very high	90.5	Very high	16 Å²	16	45.1 Å²	45.1	8%	0.084	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-43.9	175.5	-176.2	56.6	0	0	0	111	V346 L347 M354 L359 D360 A361 F367 L368	V346-L364 HydrophobicContact CG1-CD1 4.43Å; L347-L364 HydrophobicContact CD2-CD2 4.47Å; M354-L364 HydrophobicContact CE-CB 3.7Å; M354-L364 HydrophobicContact CE-CD2 3.47Å; M354-L364 VanDerWaalsContact CE-CD2 3.47Å; M354-L364 HydrophobicContact CE-CG 4.22Å; L359-L364 HydrophobicContact CD2-CB 3.56Å; L359-L364 HydrophobicContact CD2-CD1 4.43Å; D360-L364 PolarHBondContact O-N 3.37Å; A361-L364 PolarHBondContact O-N 3.5Å; L364-F367 WeakPolarHBondContact O-CB 3.48Å; L364-F367 PolarHBondContact O-N 2.88Å; L364-L368 HydrophobicContact CD1-CD1 4.46Å; L364-L368 HydrophobicContact CG-CD1 4.15Å; L364-L368 WeakPolarHBondContact O-CG 3.18Å; L364-L368 PolarHBondContact O-N 3.28Å
365	M	92.5	Very high	90.5	Very high	74 Å²	74	45 Å²	45	37%	0.365	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-44.4	176.3	-174.2	62.8	-178.5	0	0	112	L123 V127 A361 G362 F367 L368 A369	L123-M365 HydrophobicContact CD2-CE 3.71Å; L123-M365 HydrophobicContact CG-CE 4.4Å; V127-M365 HydrophobicContact CG1-CB 4.46Å; V127-M365 HydrophobicContact CG2-CB 4.42Å; V127-M365 HydrophobicContact CG2-CG 4.09Å; A361-M365 PolarHBondContact O-N 3.12Å; G362-M365 PolarHBondContact O-N 3.37Å; M365-F367 VanDerWaalsContact C-N 3.28Å; M365-F367 PolarHBondContact O-N 2.97Å; M365-L368 PolarHBondContact O-N 3.25Å; M365-A369 WeakPolarHBondContact O-CB 3.32Å; M365-A369 PolarHBondContact O-N 3.13Å
366	S	93.7	Very high	90.6	Very high	4 Å²	4	48.5 Å²	48.5	3%	0.028	25%	0.245	C	C	.	.	H	α-helix	trans	-56.1	-46.5	174.2	-62.4	0	0	0	0	110.9	G124 G362 H363 A369 T370	G124-S366 WeakPolarHBondContact CA-OG 3.25Å; G362-S366 WeakPolarHBondContact O-CB 3.45Å; G362-S366 PolarHBondContact O-N 3.06Å; G362-S366 PolarHBondContact O-OG 3.19Å; H363-S366 WeakPolarHBondContact O-CB 3.15Å; H363-S366 PolarHBondContact O-N 3.44Å; S366-A369 PolarHBondContact O-N 3.01Å; S366-T370 WeakPolarHBondContact O-CB 3.36Å; S366-T370 PolarHBondContact O-N 2.96Å; S366-T370 PolarHBondContact O-OG1 3.21Å
367	F	94.1	Very high	90.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-50.4	-179.9	-164.3	-79.2	0	0	0	110.4	L240 I243 L247 T248 V346 H363 L364 M365 A369 T370 T371	L240-F367 HydrophobicContact CB-CE2 4.22Å; L240-F367 HydrophobicContact CD2-CD1 4.01Å; L240-F367 HydrophobicContact CD2-CD2 3.65Å; L240-F367 HydrophobicContact CD2-CE1 4.02Å; L240-F367 HydrophobicContact CD2-CE2 3.65Å; L240-F367 HydrophobicContact CD2-CG 3.84Å; L240-F367 HydrophobicContact CD2-CZ 3.84Å; I243-F367 HydrophobicContact CB-CD2 4.39Å; I243-F367 HydrophobicContact CG2-CB 4.33Å; I243-F367 HydrophobicContact CG2-CD2 4.19Å; L247-F367 HydrophobicContact CB-CD2 4.23Å; L247-F367 HydrophobicContact CB-CE1 4.19Å; L247-F367 HydrophobicContact CB-CE2 3.54Å; L247-F367 HydrophobicContact CB-CZ 3.52Å; L247-F367 HydrophobicContact CD1-CD2 4.28Å; L247-F367 HydrophobicContact CD1-CE2 4.42Å; L247-F367 HydrophobicContact CD1-CG 4.4Å; T248-F367 WeakPolarHBondContact OG1-CE2 3.43Å; V346-F367 HydrophobicContact CG1-CD1 3.52Å; V346-F367 HydrophobicContact CG1-CE1 3.8Å; V346-F367 HydrophobicContact CG2-CD1 4.48Å; V346-F367 HydrophobicContact CG2-CE1 3.98Å; H363-F367 WeakPolarHBondContact O-CB 3.36Å; H363-F367 PolarHBondContact O-N 3.31Å; L364-F367 WeakPolarHBondContact O-CB 3.48Å; L364-F367 PolarHBondContact O-N 2.88Å; M365-F367 VanDerWaalsContact C-N 3.28Å; M365-F367 PolarHBondContact O-N 2.97Å; F367-A369 PolarHBondContact O-N 2.62Å; F367-T370 PolarHBondContact O-N 2.99Å; F367-T371 WeakPolarHBondContact O-CB 3.38Å; F367-T371 PolarHBondContact O-N 3.26Å; F367-T371 PolarHBondContact O-OG1 2.87Å
368	L	92.8	Very high	91.1	Very high	23 Å²	23	40.5 Å²	40.5	12%	0.12	20%	0.198	C	C	.	.	H	α-helix	trans	-58.7	-49.6	178	-73	166	0	0	0	112.6	V343 V346 L347 L364 M365 T370 T371 Q372	V343-L368 HydrophobicContact CG1-CD2 4.13Å; V346-L368 HydrophobicContact CB-CD2 4.1Å; V346-L368 HydrophobicContact CG1-CD2 3.56Å; V346-L368 HydrophobicContact CG1-CG 4.14Å; L347-L368 HydrophobicContact CD2-CD1 3.6Å; L347-L368 HydrophobicContact CD2-CD2 4.43Å; L347-L368 HydrophobicContact CG-CD1 4.2Å; L347-L368 HydrophobicContact CG-CD2 4.14Å; L364-L368 HydrophobicContact CD1-CD1 4.46Å; L364-L368 HydrophobicContact CG-CD1 4.15Å; L364-L368 WeakPolarHBondContact O-CG 3.18Å; L364-L368 PolarHBondContact O-N 3.28Å; M365-L368 PolarHBondContact O-N 3.25Å; L368-T370 VanDerWaalsContact C-N 3.32Å; L368-T370 PolarHBondContact O-N 2.91Å; L368-T371 PolarHBondContact O-N 2.93Å; L368-Q372 WeakPolarHBondContact O-CG 3.44Å; L368-Q372 PolarHBondContact O-N 3.48Å
369	A	93.4	Very high	91.3	Very high	16 Å²	16	38.3 Å²	38.3	13%	0.132	19%	0.193	C	C	.	.	H	α-helix	trans	-65.3	-36.2	179.7	0	0	0	0	0	112	P120 L123 M365 S366 F367 Q372 T373	P120-A369 HydrophobicContact CB-CB 3.81Å; P120-A369 HydrophobicContact CG-CB 4.39Å; L123-A369 HydrophobicContact CD2-CB 4.41Å; M365-A369 WeakPolarHBondContact O-CB 3.32Å; M365-A369 PolarHBondContact O-N 3.13Å; S366-A369 PolarHBondContact O-N 3.01Å; F367-A369 PolarHBondContact O-N 2.62Å; A369-Q372 PolarHBondContact O-N 2.8Å; A369-T373 PolarHBondContact O-N 3.49Å; A369-T373 PolarHBondContact O-OG1 3.18Å
370	T	94.4	Very high	91.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.206	C	C	.	.	H	α-helix	trans	-69.4	-42.4	175.5	-56	0	0	0	0	111	P120 A239 L240 S366 F367 L368 Q372 T373 L374	P120-T370 VanDerWaalsContact CB-OG1 3.29Å; P120-T370 WeakPolarHBondContact CB-OG1 3.5Å; A239-T370 HydrophobicContact CB-CG2 4.07Å; L240-T370 HydrophobicContact CD1-CG2 4.45Å; L240-T370 HydrophobicContact CD2-CG2 3.83Å; L240-T370 HydrophobicContact CG-CG2 3.75Å; S366-T370 WeakPolarHBondContact O-CB 3.36Å; S366-T370 PolarHBondContact O-N 2.96Å; S366-T370 PolarHBondContact O-OG1 3.21Å; F367-T370 PolarHBondContact O-N 2.99Å; L368-T370 VanDerWaalsContact C-N 3.32Å; L368-T370 PolarHBondContact O-N 2.91Å; T370-Q372 VanDerWaalsContact C-N 3.33Å; T370-Q372 PolarHBondContact O-N 3.4Å; T370-T373 PolarHBondContact O-N 3.08Å; T370-L374 WeakPolarHBondContact O-CB 3.27Å; T370-L374 PolarHBondContact O-N 2.82Å
371	T	91.3	Very high	91.7	Very high	12 Å²	12	41.7 Å²	41.7	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-42.9	174.2	-57.5	0	0	0	0	111.4	L251 F367 L368 L374 Q375	L251-T371 HydrophobicContact CD1-CG2 4.47Å; L251-T371 HydrophobicContact CD2-CG2 4.24Å; F367-T371 WeakPolarHBondContact O-CB 3.38Å; F367-T371 PolarHBondContact O-N 3.26Å; F367-T371 PolarHBondContact O-OG1 2.87Å; L368-T371 PolarHBondContact O-N 2.93Å; T371-L374 WeakPolarHBondContact O-CB 2.97Å; T371-L374 PolarHBondContact O-N 3.44Å; T371-Q375 PolarHBondContact O-N 3.36Å
372	Q	90.9	Very high	91.7	Very high	80 Å²	80	44.4 Å²	44.4	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-65.2	-39.2	175.9	-71	-176.4	6.3	0	0	112.6	L368 A369 T370 Q375 R376	L368-Q372 WeakPolarHBondContact O-CG 3.44Å; L368-Q372 PolarHBondContact O-N 3.48Å; A369-Q372 PolarHBondContact O-N 2.8Å; T370-Q372 VanDerWaalsContact C-N 3.33Å; T370-Q372 PolarHBondContact O-N 3.4Å; Q372-Q375 PolarHBondContact O-N 3.11Å; Q372-R376 WeakPolarHBondContact O-CG 3.33Å; Q372-R376 PolarHBondContact O-N 2.72Å
373	T	92	Very high	91.6	Very high	15 Å²	15	49 Å²	49	9%	0.092	25%	0.25	C	C	.	.	H	α-helix	trans	-64.9	-42.1	176.3	-59.3	0	0	0	0	111.1	A369 T370 R376 S377	A369-T373 PolarHBondContact O-N 3.49Å; A369-T373 PolarHBondContact O-OG1 3.18Å; T370-T373 PolarHBondContact O-N 3.08Å; T373-R376 PolarHBondContact O-N 2.84Å; T373-S377 WeakPolarHBondContact O-CB 3.37Å; T373-S377 PolarHBondContact O-N 3.31Å; T373-S377 PolarHBondContact O-OG 3.17Å
374	L	92.4	Very high	91.6	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.068	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-48.3	173.3	177.9	59.8	0	0	0	111.5	V233 V237 L240 T370 T371 R376 S377 L378	V233-L374 HydrophobicContact CB-CD1 4.22Å; V233-L374 HydrophobicContact CG1-CD1 4.04Å; V233-L374 HydrophobicContact CG2-CD1 4.12Å; V237-L374 HydrophobicContact CG2-CD1 4.3Å; V237-L374 HydrophobicContact CG2-CD2 4.33Å; L240-L374 HydrophobicContact CD1-CD2 3.81Å; T370-L374 WeakPolarHBondContact O-CB 3.27Å; T370-L374 PolarHBondContact O-N 2.82Å; T371-L374 WeakPolarHBondContact O-CB 2.97Å; T371-L374 PolarHBondContact O-N 3.44Å; L374-R376 PolarHBondContact O-N 3.4Å; L374-S377 PolarHBondContact O-N 3.42Å; L374-L378 HydrophobicContact CD1-CD1 4.03Å; L374-L378 HydrophobicContact CD1-CG 4.18Å; L374-L378 HydrophobicContact CG-CD1 3.99Å; L374-L378 WeakPolarHBondContact O-CG 3.36Å; L374-L378 PolarHBondContact O-N 3.05Å
375	Q	89	Confident	91.4	Very high	64 Å²	64	52.6 Å²	52.6	30%	0.299	26%	0.261	S	S	.	.	H	α-helix	trans	-57	-46.7	177.2	178.5	-169.5	-31.3	0	0	112	L339 T371 Q372 S377 L378 T379	L339-Q375 HydrophobicContact CD1-CG 4.37Å; L339-Q375 HydrophobicContact CD2-CG 4.05Å; T371-Q375 PolarHBondContact O-N 3.36Å; Q372-Q375 PolarHBondContact O-N 3.11Å; Q375-S377 VanDerWaalsContact C-N 3.34Å; Q375-S377 PolarHBondContact O-N 2.8Å; Q375-L378 PolarHBondContact O-N 2.67Å; Q375-T379 WeakPolarHBondContact O-CB 3.47Å; Q375-T379 PolarHBondContact O-N 3.25Å; Q375-T379 PolarHBondContact O-OG1 3.42Å
376	R	90.5	Very high	91.2	Very high	168 Å²	168	50.6 Å²	50.6	63%	0.634	26%	0.258	S	S	*	.	H	α-helix	trans	-61.7	-43.7	177.9	-71.7	174.3	-174.3	175	4.5	111	Q372 T373 L374 T379 Q380	Q372-R376 WeakPolarHBondContact O-CG 3.33Å; Q372-R376 PolarHBondContact O-N 2.72Å; T373-R376 PolarHBondContact O-N 2.84Å; L374-R376 PolarHBondContact O-N 3.4Å; R376-T379 PolarHBondContact O-N 2.95Å; R376-Q380 VanDerWaalsContact O-CG 3.28Å; R376-Q380 WeakPolarHBondContact O-CG 3.45Å; R376-Q380 PolarHBondContact O-N 2.74Å
377	S	93.1	Very high	91.1	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-44.3	-179.5	-54.4	0	0	0	0	112.1	Q232 T373 L374 Q375 Q380 L381	Q232-S377 WeakPolarHBondContact CB-OG 3.2Å; Q232-S377 PolarHBondContact OE1-OG 3.28Å; T373-S377 WeakPolarHBondContact O-CB 3.37Å; T373-S377 PolarHBondContact O-N 3.31Å; T373-S377 PolarHBondContact O-OG 3.17Å; L374-S377 PolarHBondContact O-N 3.42Å; Q375-S377 VanDerWaalsContact C-N 3.34Å; Q375-S377 PolarHBondContact O-N 2.8Å; S377-Q380 PolarHBondContact O-N 3.46Å; S377-L381 WeakPolarHBondContact O-CB 3.41Å; S377-L381 PolarHBondContact O-N 3.33Å
378	L	90.3	Very high	91	Very high	53 Å²	53	54.5 Å²	54.5	28%	0.277	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-43.9	175.3	-75.2	168	0	0	0	112.1	V233 F259 L374 Q375 Q380 L381 S382	V233-L378 HydrophobicContact CG1-CD2 4.34Å; V233-L378 HydrophobicContact CG2-CD2 3.97Å; V233-L378 HydrophobicContact CG2-CG 4.11Å; F259-L378 HydrophobicContact CZ-CD1 4.27Å; L374-L378 HydrophobicContact CD1-CD1 4.03Å; L374-L378 HydrophobicContact CD1-CG 4.18Å; L374-L378 HydrophobicContact CG-CD1 3.99Å; L374-L378 WeakPolarHBondContact O-CG 3.36Å; L374-L378 PolarHBondContact O-N 3.05Å; Q375-L378 PolarHBondContact O-N 2.67Å; L378-Q380 VanDerWaalsContact C-N 3.33Å; L378-Q380 PolarHBondContact O-N 3.16Å; L378-L381 PolarHBondContact O-N 3.44Å; L378-S382 PolarHBondContact O-N 3.03Å
379	T	88.6	Confident	91	Very high	72 Å²	72	56.6 Å²	56.6	44%	0.442	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-44.8	177.4	-57.1	0	0	0	0	110.9	Q375 R376 S382 L383	Q375-T379 WeakPolarHBondContact O-CB 3.47Å; Q375-T379 PolarHBondContact O-N 3.25Å; Q375-T379 PolarHBondContact O-OG1 3.42Å; R376-T379 PolarHBondContact O-N 2.95Å; T379-S382 WeakPolarHBondContact O-CB 3.42Å; T379-S382 PolarHBondContact O-N 2.61Å; T379-L383 WeakPolarHBondContact O-CG 3.39Å; T379-L383 PolarHBondContact O-N 3.44Å; T379-L383 VanDerWaalsContact O-N 3.11Å
380	Q	92.1	Very high	90.8	Very high	73 Å²	73	63.2 Å²	63.2	34%	0.341	32%	0.316	S	S	.	.	H	α-helix	trans	-68	-35.5	178	-67.1	-66.3	-20.5	0	0	112.5	N229 R376 S377 L378 S382 L383 L384	N229-Q380 WeakPolarHBondContact ND2-CB 3.38Å; R376-Q380 VanDerWaalsContact O-CG 3.28Å; R376-Q380 WeakPolarHBondContact O-CG 3.45Å; R376-Q380 PolarHBondContact O-N 2.74Å; S377-Q380 PolarHBondContact O-N 3.46Å; L378-Q380 VanDerWaalsContact C-N 3.33Å; L378-Q380 PolarHBondContact O-N 3.16Å; Q380-S382 VanDerWaalsContact C-N 3.34Å; Q380-L383 PolarHBondContact O-N 2.98Å; Q380-L384 WeakPolarHBondContact O-CB 3.35Å; Q380-L384 PolarHBondContact O-N 3.09Å
381	L	91.5	Very high	90.8	Very high	69 Å²	69	63.3 Å²	63.3	36%	0.361	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-37.9	174.8	-167.2	66.2	0	0	0	111.9	S377 L378 L384 Y385	S377-L381 WeakPolarHBondContact O-CB 3.41Å; S377-L381 PolarHBondContact O-N 3.33Å; L378-L381 PolarHBondContact O-N 3.44Å; L381-L384 HydrophobicContact CD1-CD2 4.17Å; L381-L384 WeakPolarHBondContact O-CB 3.38Å; L381-L384 PolarHBondContact O-N 3Å; L381-Y385 PolarHBondContact O-N 3.29Å
382	S	86.8	Confident	90.9	Very high	88 Å²	88	69.2 Å²	69.2	62%	0.615	34%	0.339	S	S	*	.	H	α-helix	trans	-62	-44.4	172.8	-178.6	0	0	0	0	112.1	L378 T379 Q380 L384 Y385	L378-S382 PolarHBondContact O-N 3.03Å; T379-S382 WeakPolarHBondContact O-CB 3.42Å; T379-S382 PolarHBondContact O-N 2.61Å; Q380-S382 VanDerWaalsContact C-N 3.34Å; S382-L384 VanDerWaalsContact C-N 3.3Å; S382-L384 PolarHBondContact O-N 2.93Å; S382-Y385 WeakPolarHBondContact O-CB 3.19Å; S382-Y385 PolarHBondContact O-N 2.78Å
383	L	88.9	Confident	91	Very high	96 Å²	96	68.1 Å²	68.1	50%	0.503	34%	0.338	S	S	.	.	H	α-helix	trans	-63.9	-35.6	174.7	-68.2	175	0	0	0	112.4	T379 Q380 Y385 G386 Q387	T379-L383 WeakPolarHBondContact O-CG 3.39Å; T379-L383 PolarHBondContact O-N 3.44Å; T379-L383 VanDerWaalsContact O-N 3.11Å; Q380-L383 PolarHBondContact O-N 2.98Å; L383-Y385 VanDerWaalsContact C-N 3.33Å; L383-Y385 PolarHBondContact O-N 3.43Å; L383-G386 PolarHBondContact O-N 2.97Å; L383-Q387 PolarHBondContact O-N 3.34Å
384	L	92.5	Very high	91.2	Very high	8 Å²	8	67.4 Å²	67.4	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-36.8	178.3	-179.7	66.5	0	0	0	112.2	Q221 Q380 L381 S382 G386 Q387 V388	Q221-L384 HydrophobicContact CB-CD1 3.99Å; Q380-L384 WeakPolarHBondContact O-CB 3.35Å; Q380-L384 PolarHBondContact O-N 3.09Å; L381-L384 HydrophobicContact CD1-CD2 4.17Å; L381-L384 WeakPolarHBondContact O-CB 3.38Å; L381-L384 PolarHBondContact O-N 3Å; S382-L384 VanDerWaalsContact C-N 3.3Å; S382-L384 PolarHBondContact O-N 2.93Å; L384-G386 VanDerWaalsContact C-N 3.29Å; L384-G386 PolarHBondContact O-N 3.42Å; L384-Q387 HydrophobicContact CD1-CB 4.39Å; L384-Q387 CarbonylContact O-C 3.56Å; L384-Q387 WeakPolarHBondContact O-CA 3.38Å; L384-Q387 WeakPolarHBondContact O-CB 3.28Å; L384-Q387 PolarHBondContact O-N 2.84Å; L384-V388 HydrophobicContact CD1-CG2 4.19Å; L384-V388 HydrophobicContact CG-CG2 4.03Å; L384-V388 WeakPolarHBondContact O-CG2 3.48Å; L384-V388 PolarHBondContact O-N 3.1Å
385	Y	89.2	Confident	91.3	Very high	173 Å²	173	67 Å²	67	68%	0.678	33%	0.331	S	S	*	.	H	α-helix	trans	-53.2	-47.1	177.6	176.6	-98.1	0	0	0	111.9	L381 S382 L383 Q387 V388 V389	L381-Y385 PolarHBondContact O-N 3.29Å; S382-Y385 WeakPolarHBondContact O-CB 3.19Å; S382-Y385 PolarHBondContact O-N 2.78Å; L383-Y385 VanDerWaalsContact C-N 3.33Å; L383-Y385 PolarHBondContact O-N 3.43Å; Y385-Q387 VanDerWaalsContact C-N 3.27Å; Y385-Q387 PolarHBondContact O-N 3.09Å; Y385-V388 PolarHBondContact O-N 3.04Å; Y385-V389 HydrophobicContact CD1-CG2 4.49Å; Y385-V389 HydrophobicContact CE1-CG2 4.05Å; Y385-V389 HydrophobicContact CE2-CG2 4.33Å; Y385-V389 WeakPolarHBondContact O-CG2 3.4Å; Y385-V389 PolarHBondContact O-N 3.14Å
386	G	86.8	Confident	91.5	Very high	31 Å²	31	69.1 Å²	69.1	32%	0.32	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-27.4	176.7	0	0	0	0	0	113.9	L383 L384 R390	L383-G386 PolarHBondContact O-N 2.97Å; L384-G386 VanDerWaalsContact C-N 3.29Å; L384-G386 PolarHBondContact O-N 3.42Å; G386-R390 WeakPolarHBondContact O-CG 3.44Å; G386-R390 PolarHBondContact O-N 2.93Å; G386-R390 PolarHBondContact O-NE 3.42Å; G386-R390 VanDerWaalsContact O-NE 3.11Å
387	Q	91.8	Very high	91.7	Very high	25 Å²	25	65.8 Å²	65.8	12%	0.117	33%	0.327	C	S	.	.	H	α-helix	trans	-76.2	-38.2	174.4	-64.8	166.8	-6.6	0	0	111.8	S218 Q221 L383 L384 Y385 R390 G391	S218-Q387 WeakPolarHBondContact CB-O 3.35Å; S218-Q387 PolarHBondContact OG-O 3.28Å; Q221-Q387 VanDerWaalsContact OE1-CG 3.27Å; L383-Q387 PolarHBondContact O-N 3.34Å; L384-Q387 HydrophobicContact CD1-CB 4.39Å; L384-Q387 CarbonylContact O-C 3.56Å; L384-Q387 WeakPolarHBondContact O-CA 3.38Å; L384-Q387 WeakPolarHBondContact O-CB 3.28Å; L384-Q387 PolarHBondContact O-N 2.84Å; Y385-Q387 VanDerWaalsContact C-N 3.27Å; Y385-Q387 PolarHBondContact O-N 3.09Å; Q387-R390 PolarHBondContact O-N 3.37Å; Q387-G391 PolarHBondContact O-N 3.38Å
388	V	93.1	Very high	91.7	Very high	61 Å²	61	65.7 Å²	65.7	37%	0.37	33%	0.326	S	S	.	.	H	α-helix	trans	-63.5	-47.2	176.2	171.4	0	0	0	0	110.5	C222 L384 Y385 R390 G391 Y392	C222-V388 HydrophobicContact CB-CG2 4.5Å; L384-V388 HydrophobicContact CD1-CG2 4.19Å; L384-V388 HydrophobicContact CG-CG2 4.03Å; L384-V388 WeakPolarHBondContact O-CG2 3.48Å; L384-V388 PolarHBondContact O-N 3.1Å; Y385-V388 PolarHBondContact O-N 3.04Å; V388-R390 VanDerWaalsContact C-N 3.34Å; V388-R390 PolarHBondContact O-N 3.1Å; V388-G391 PolarHBondContact O-N 2.98Å; V388-Y392 WeakPolarHBondContact O-CB 3.47Å; V388-Y392 PolarHBondContact O-N 3.32Å
389	V	91.5	Very high	91.7	Very high	67 Å²	67	64.2 Å²	64.2	41%	0.406	32%	0.317	S	S	.	.	H	α-helix	trans	-60	-43.9	177.2	173.8	0	0	0	0	111.5	Y385 Y392 T393	Y385-V389 HydrophobicContact CD1-CG2 4.49Å; Y385-V389 HydrophobicContact CE1-CG2 4.05Å; Y385-V389 HydrophobicContact CE2-CG2 4.33Å; Y385-V389 WeakPolarHBondContact O-CG2 3.4Å; Y385-V389 PolarHBondContact O-N 3.14Å; V389-Y392 PolarHBondContact O-N 2.93Å; V389-T393 WeakPolarHBondContact O-CG2 3.45Å; V389-T393 PolarHBondContact O-N 2.92Å; V389-T393 PolarHBondContact O-OG1 3.44Å
390	R	90.2	Very high	91.8	Very high	156 Å²	156	64.7 Å²	64.7	59%	0.589	32%	0.318	S	S	*	.	H	α-helix	trans	-63.2	-42.4	175.9	-76.7	-176.4	-69.2	-175.8	1.4	112.7	G386 Q387 V388 T393 A394	G386-R390 WeakPolarHBondContact O-CG 3.44Å; G386-R390 PolarHBondContact O-N 2.93Å; G386-R390 PolarHBondContact O-NE 3.42Å; G386-R390 VanDerWaalsContact O-NE 3.11Å; Q387-R390 PolarHBondContact O-N 3.37Å; V388-R390 VanDerWaalsContact C-N 3.34Å; V388-R390 PolarHBondContact O-N 3.1Å; R390-T393 PolarHBondContact O-OG1 3.4Å; R390-T393 VanDerWaalsContact O-OG1 3.05Å; R390-A394 PolarHBondContact O-N 3.01Å
391	G	94.6	Very high	91.7	Very high	3 Å²	3	61.5 Å²	61.5	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-65.5	-41	177.4	0	0	0	0	0	112.5	S218 Q387 V388 A394 L395	S218-G391 VanDerWaalsContact CB-CA 3.46Å; S218-G391 VanDerWaalsContact OG-CA 3.29Å; S218-G391 WeakPolarHBondContact OG-CA 3.12Å; S218-G391 PolarHBondContact OG-N 2.95Å; Q387-G391 PolarHBondContact O-N 3.38Å; V388-G391 PolarHBondContact O-N 2.98Å; G391-A394 PolarHBondContact O-N 3.5Å; G391-L395 WeakPolarHBondContact O-CB 3.46Å; G391-L395 PolarHBondContact O-N 3.22Å
392	Y	93.9	Very high	91.5	Very high	135 Å²	135	58.3 Å²	58.3	53%	0.529	29%	0.286	S	S	.	.	H	α-helix	trans	-66.5	-42.2	179.5	-178.3	-101.7	0	0	0	112.5	I87 V388 V389 L395 K396	I87-Y392 HydrophobicContact CD1-CE2 4.14Å; V388-Y392 WeakPolarHBondContact O-CB 3.47Å; V388-Y392 PolarHBondContact O-N 3.32Å; V389-Y392 PolarHBondContact O-N 2.93Å; Y392-L395 PolarHBondContact O-N 2.66Å; Y392-K396 WeakPolarHBondContact O-CB 3.37Å; Y392-K396 PolarHBondContact O-N 3.36Å
393	T	93	Very high	91.6	Very high	58 Å²	58	56.3 Å²	56.3	36%	0.356	28%	0.275	S	S	.	.	H	α-helix	trans	-66.1	-38.9	177.5	54.3	0	0	0	0	112.2	V389 R390 K396 R397	V389-T393 WeakPolarHBondContact O-CG2 3.45Å; V389-T393 PolarHBondContact O-N 2.92Å; V389-T393 PolarHBondContact O-OG1 3.44Å; R390-T393 PolarHBondContact O-OG1 3.4Å; R390-T393 VanDerWaalsContact O-OG1 3.05Å; T393-K396 PolarHBondContact O-N 2.93Å; T393-R397 PolarHBondContact O-N 3.41Å
394	A	94.8	Very high	91.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-46.4	172.2	0	0	0	0	0	111.8	D211 N214 F215 R390 G391 K396 R397 I398	D211-A394 HydrophobicContact CB-CB 3.93Å; N214-A394 HydrophobicContact CB-CB 4.11Å; F215-A394 HydrophobicContact CB-CB 4.39Å; R390-A394 PolarHBondContact O-N 3.01Å; G391-A394 PolarHBondContact O-N 3.5Å; A394-K396 VanDerWaalsContact C-N 3.32Å; A394-K396 PolarHBondContact O-N 3.42Å; A394-R397 PolarHBondContact O-N 2.99Å; A394-I398 WeakPolarHBondContact O-CG1 3.43Å; A394-I398 PolarHBondContact O-N 3.11Å; A394-I398 VanDerWaalsContact O-N 3.07Å
395	L	95	Very high	90.7	Very high	4 Å²	4	58 Å²	58	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-61.7	-39.6	177.4	-177.8	62.1	0	0	0	112.4	I87 Y90 I91 F215 G391 Y392 I398 H399	I87-L395 HydrophobicContact CG2-CD2 3.33Å; I87-L395 HydrophobicContact CG2-CG 3.98Å; Y90-L395 HydrophobicContact CD1-CD1 4.17Å; Y90-L395 HydrophobicContact CE1-CD1 4.19Å; I91-L395 HydrophobicContact CD1-CD2 3.59Å; I91-L395 HydrophobicContact CG1-CD2 3.78Å; F215-L395 HydrophobicContact CD1-CD1 4.19Å; F215-L395 HydrophobicContact CD2-CB 3.7Å; F215-L395 HydrophobicContact CD2-CD1 4.27Å; F215-L395 HydrophobicContact CD2-CD2 4.2Å; F215-L395 HydrophobicContact CD2-CG 4.28Å; F215-L395 HydrophobicContact CE1-CD1 3.99Å; F215-L395 HydrophobicContact CE2-CB 3.97Å; F215-L395 HydrophobicContact CE2-CD1 4.09Å; F215-L395 HydrophobicContact CE2-CD2 3.57Å; F215-L395 HydrophobicContact CE2-CG 4.09Å; F215-L395 HydrophobicContact CG-CB 4.21Å; F215-L395 HydrophobicContact CG-CD1 4.32Å; F215-L395 HydrophobicContact CZ-CD1 3.94Å; F215-L395 HydrophobicContact CZ-CD2 3.86Å; F215-L395 HydrophobicContact CZ-CG 4.37Å; G391-L395 WeakPolarHBondContact O-CB 3.46Å; G391-L395 PolarHBondContact O-N 3.22Å; Y392-L395 PolarHBondContact O-N 2.66Å; L395-I398 PolarHBondContact O-N 3.04Å; L395-H399 WeakPolarHBondContact O-CB 3.35Å; L395-H399 PolarHBondContact O-N 3.28Å
396	K	94.1	Very high	89.8	Confident	108 Å²	108	51.9 Å²	51.9	47%	0.47	27%	0.272	S	S	.	.	H	α-helix	trans	-58.4	-48.6	176.4	-175.4	-179.7	175.4	-177.8	0	110.8	I87 Y392 T393 A394 I398 H399 D400	I87-K396 HydrophobicContact CD1-CB 4.46Å; Y392-K396 WeakPolarHBondContact O-CB 3.37Å; Y392-K396 PolarHBondContact O-N 3.36Å; T393-K396 PolarHBondContact O-N 2.93Å; A394-K396 VanDerWaalsContact C-N 3.32Å; A394-K396 PolarHBondContact O-N 3.42Å; K396-I398 VanDerWaalsContact C-N 3.34Å; K396-I398 PolarHBondContact O-N 2.96Å; K396-H399 PolarHBondContact O-N 3.01Å; K396-D400 WeakPolarHBondContact O-CB 3.5Å; K396-D400 PolarHBondContact O-N 3.23Å
397	R	93.3	Very high	88.8	Confident	99 Å²	99	50.8 Å²	50.8	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-40.4	177.3	-70	-171.3	-67.9	-99.4	3.8	112.9	D211 T393 A394 I401	D211-R397 IonicContact OD1-CZ 2.67Å; D211-R397 IonicContact OD1-NE 2.61Å; D211-R397 IonicContact OD1-NH2 3.96Å; D211-R397 PolarHBondContact OD1-NH2 2.96Å; D211-R397 IonicContact OD2-CZ 3.2Å; D211-R397 IonicContact OD2-NE 2.8Å; D211-R397 PolarHBondContact OD2-NE 2.73Å; D211-R397 IonicContact OD2-NH2 2.66Å; D211-R397 PolarHBondContact OD2-NH2 2.9Å; T393-R397 PolarHBondContact O-N 3.41Å; A394-R397 PolarHBondContact O-N 2.99Å; R397-I401 PolarHBondContact O-N 2.93Å
398	I	93.2	Very high	87.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-47.9	174.4	-69	168.6	0	0	0	110.4	M180 L184 I207 D211 V212 A394 L395 K396 I401 L402	M180-I398 HydrophobicContact SD-CD1 4.2Å; L184-I398 HydrophobicContact CD1-CG1 4.17Å; L184-I398 HydrophobicContact CD1-CG2 4.06Å; L184-I398 HydrophobicContact CD2-CG2 4.14Å; L184-I398 HydrophobicContact CG-CG2 4.31Å; I207-I398 HydrophobicContact CG2-CG1 4.02Å; D211-I398 HydrophobicContact CB-CD1 4.27Å; D211-I398 HydrophobicContact CB-CG1 4.32Å; V212-I398 HydrophobicContact CG2-CD1 3.91Å; A394-I398 WeakPolarHBondContact O-CG1 3.43Å; A394-I398 PolarHBondContact O-N 3.11Å; A394-I398 VanDerWaalsContact O-N 3.07Å; L395-I398 PolarHBondContact O-N 3.04Å; K396-I398 VanDerWaalsContact C-N 3.34Å; K396-I398 PolarHBondContact O-N 2.96Å; I398-I401 PolarHBondContact O-N 3.15Å; I398-L402 HydrophobicContact CG2-CD1 4.02Å; I398-L402 WeakPolarHBondContact O-CG 3.32Å; I398-L402 PolarHBondContact O-N 2.98Å; I398-L402 VanDerWaalsContact O-N 3.14Å
399	H	91.6	Very high	85.4	Confident	22 Å²	22	50.5 Å²	50.5	10%	0.102	26%	0.264	C	S	.	.	H	α-helix	trans	-64.6	-40.5	-179.5	-175.9	69.2	0	0	0	112	A82 I87 L395 K396 I401 L402 A403	A82-H399 PolarHBondContact O-CE1 3.1Å; I87-H399 HydrophobicContact CG1-CB 4.21Å; L395-H399 WeakPolarHBondContact O-CB 3.35Å; L395-H399 PolarHBondContact O-N 3.28Å; K396-H399 PolarHBondContact O-N 3.01Å; H399-I401 VanDerWaalsContact C-N 3.29Å; H399-I401 PolarHBondContact O-N 3.41Å; H399-L402 PolarHBondContact O-N 2.85Å; H399-L402 VanDerWaalsContact O-N 3.12Å; H399-A403 VanDerWaalsContact O-CB 3.26Å; H399-A403 WeakPolarHBondContact O-CB 3.32Å; H399-A403 PolarHBondContact O-N 3.32Å
400	D	90.2	Very high	83.3	Confident	83 Å²	83	51.1 Å²	51.1	44%	0.444	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-40.6	178	-66.9	-17.5	0	0	0	111.1	K396 L404	K396-D400 WeakPolarHBondContact O-CB 3.5Å; K396-D400 PolarHBondContact O-N 3.23Å; D400-L404 PolarHBondContact O-N 2.97Å
401	I	89.5	Confident	81.2	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-66.6	-45.2	174.1	-67.6	-176.9	0	0	0	111.5	L184 K187 L188 L204 I207 R397 I398 H399 A403 L404	L184-I401 HydrophobicContact CD2-CB 3.95Å; L184-I401 HydrophobicContact CD2-CG2 3.76Å; K187-I401 HydrophobicContact CG-CG2 4.41Å; L188-I401 HydrophobicContact CD2-CD1 4.44Å; L188-I401 HydrophobicContact CD2-CG2 3.8Å; L188-I401 HydrophobicContact CG-CG2 4.01Å; L204-I401 HydrophobicContact CD2-CD1 4.1Å; I207-I401 HydrophobicContact CB-CD1 4.34Å; I207-I401 HydrophobicContact CD1-CD1 3.57Å; I207-I401 HydrophobicContact CG2-CD1 3.91Å; R397-I401 PolarHBondContact O-N 2.93Å; I398-I401 PolarHBondContact O-N 3.15Å; H399-I401 VanDerWaalsContact C-N 3.29Å; H399-I401 PolarHBondContact O-N 3.41Å; I401-A403 PolarHBondContact O-N 3.48Å; I401-L404 HydrophobicContact CG2-CD1 4.35Å; I401-L404 WeakPolarHBondContact O-CB 3.48Å; I401-L404 WeakPolarHBondContact O-CD1 3.15Å; I401-L404 WeakPolarHBondContact O-CG 3.32Å; I401-L404 PolarHBondContact O-N 3.45Å
402	L	88.4	Confident	78.4	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-66.2	-30.5	-179.3	-67.2	174.1	0	0	0	112.3	A82 Y90 Q183 L184 K187 I398 H399 L404	A82-L402 HydrophobicContact CB-CB 4.35Å; Y90-L402 HydrophobicContact CE1-CD1 4.18Å; Y90-L402 HydrophobicContact CE2-CD1 3.73Å; Y90-L402 VanDerWaalsContact CZ-CD1 3.49Å; Y90-L402 WeakPolarHBondContact OH-CD1 3.42Å; Q183-L402 HydrophobicContact CB-CD2 4.04Å; L184-L402 HydrophobicContact CD2-CD2 4.08Å; L184-L402 HydrophobicContact CD2-CG 4.01Å; L184-L402 HydrophobicContact CG-CD2 4.44Å; K187-L402 HydrophobicContact CB-CD2 4.16Å; K187-L402 WeakPolarHBondContact CE-O 3.24Å; K187-L402 HydrophobicContact CG-CD2 4.39Å; I398-L402 HydrophobicContact CG2-CD1 4.02Å; I398-L402 WeakPolarHBondContact O-CG 3.32Å; I398-L402 PolarHBondContact O-N 2.98Å; I398-L402 VanDerWaalsContact O-N 3.14Å; H399-L402 PolarHBondContact O-N 2.85Å; H399-L402 VanDerWaalsContact O-N 3.12Å; L402-L404 VanDerWaalsContact C-N 3.3Å
403	A	87	Confident	75.6	Confident	46 Å²	46	47 Å²	47	38%	0.38	28%	0.281	S	S	.	.	H	α-helix	trans	-76.5	-12.6	177.6	0	0	0	0	0	113.7	H399 I401	H399-A403 VanDerWaalsContact O-CB 3.26Å; H399-A403 WeakPolarHBondContact O-CB 3.32Å; H399-A403 PolarHBondContact O-N 3.32Å; I401-A403 PolarHBondContact O-N 3.48Å
404	L	84.8	Confident	72.7	Confident	41 Å²	41	48.1 Å²	48.1	22%	0.215	29%	0.292	C	S	.	.	S	Bend	trans	-54	143.2	177.7	-70.4	168.1	0	0	0	111.3	K187 Y195 D400 I401 L402	K187-L404 WeakPolarHBondContact CE-O 3.21Å; K187-L404 PolarHBondContact NZ-O 2.81Å; Y195-L404 HydrophobicContact CD2-CD1 4.16Å; Y195-L404 HydrophobicContact CE2-CD1 3.45Å; Y195-L404 VanDerWaalsContact CE2-CD1 3.45Å; Y195-L404 HydrophobicContact CE2-CD2 4.29Å; D400-L404 PolarHBondContact O-N 2.97Å; I401-L404 HydrophobicContact CG2-CD1 4.35Å; I401-L404 WeakPolarHBondContact O-CB 3.48Å; I401-L404 WeakPolarHBondContact O-CD1 3.15Å; I401-L404 WeakPolarHBondContact O-CG 3.32Å; I401-L404 PolarHBondContact O-N 3.45Å; L402-L404 VanDerWaalsContact C-N 3.3Å
405	P	78.3	Confident	69.5	Low	98 Å²	98	51.5 Å²	51.5	64%	0.636	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-58.1	150.3	165.8	27.7	-33.2	0	0	0	109.2	Q191	Q191-P405 PolarHBondContact NE2-O 2.66Å; Q191-P405 PolarHBondContact OE1-O 2.66Å; Q191-P405 VanDerWaalsContact OE1-O 3.07Å
406	S	70.9	Confident	66.3	Low	45 Å²	45	56.3 Å²	56.3	32%	0.315	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-80.5	143.4	179.5	-43.3	0	0	0	0	108.1	K187	K187-S406 PolarHBondContact NZ-OG 3.44Å
407	G	66	Low	63.1	Low	8 Å²	8	55.8 Å²	55.8	8%	0.082	36%	0.359	C	S	.	.			trans	-65.7	179.1	-178	0	0	0	0	0	114.5	Y190 D192 G409 S410	Y190-G407 PolarHBondContact O-N 3.31Å; D192-G407 WeakPolarHBondContact OD1-CA 3.49Å; D192-G407 WeakPolarHBondContact OD2-CA 3.43Å; G407-G409 CarbonylContact O-C 3.49Å; G407-G409 PolarHBondContact O-N 3Å; G407-G409 VanDerWaalsContact O-N 3.11Å; G407-S410 PolarHBondContact O-N 2.88Å
408	I	57.9	Low	60	Low	54 Å²	54	58.3 Å²	58.3	28%	0.277	38%	0.38	S	S	.	.	S	Bend	trans	-51.5	-34.1	179.6	-56.1	162	0	0	0	110.9	D192 S410 V513	D192-I408 WeakPolarHBondContact OD1-CB 3.35Å; D192-I408 WeakPolarHBondContact OD1-CG1 3.45Å; D192-I408 PolarHBondContact OD1-N 3.25Å; D192-I408 PolarHBondContact OD2-N 3.04Å; I408-S410 PolarHBondContact O-N 3.41Å; I408-V513 HydrophobicContact CG2-CG2 3.88Å
409	G	54.5	Low	56.9	Low	27 Å²	27	65.4 Å²	65.4	28%	0.278	42%	0.422	S	S	.	.	S	Bend	trans	-88.6	80.9	170.3	0	0	0	0	0	111.9	G407	G407-G409 CarbonylContact O-C 3.49Å; G407-G409 PolarHBondContact O-N 3Å; G407-G409 VanDerWaalsContact O-N 3.11Å
410	S	48.7	Very low	53.8	Low	79 Å²	79	70.7 Å²	70.7	55%	0.552	46%	0.456	S	S	*	.			trans	-60.9	144.5	179.7	44.7	0	0	0	0	113	G407 I408	G407-S410 PolarHBondContact O-N 2.88Å; I408-S410 PolarHBondContact O-N 3.41Å
411	I	44.7	Very low	50.8	Low	16 Å²	16	71.3 Å²	71.3	8%	0.082	47%	0.467	C	S	.	.			trans	-56.5	131.9	169.4	-57	160.5	0	0	0	107.6	Y190 S413	Y190-I411 HydrophobicContact CD1-CG1 4.5Å; Y190-I411 HydrophobicContact CD2-CG1 3.92Å; Y190-I411 HydrophobicContact CE2-CG1 4.41Å; Y190-I411 HydrophobicContact CG-CG1 4Å; I411-S413 PolarHBondContact O-N 2.98Å; I411-S413 PolarHBondContact O-OG 3.35Å
412	P	36.8	Very low	47.7	Very low	94 Å²	94	81.1 Å²	81.1	61%	0.61	51%	0.509	S	S	*	.			trans	-55	104.3	171.7	-20.6	30.2	0	0	0	108.6	S414	P412-S414 PolarHBondContact O-N 3.41Å
413	S	33.9	Very low	44.7	Very low	97 Å²	97	89.7 Å²	89.7	68%	0.678	55%	0.549	S	S	*	.			trans	-89.4	89.4	-174	-59.8	0	0	0	0	107.6	I411	I411-S413 PolarHBondContact O-N 2.98Å; I411-S413 PolarHBondContact O-OG 3.35Å
414	S	32.5	Very low	41.9	Very low	82 Å²	82	94.7 Å²	94.7	57%	0.573	56%	0.564	S	S	*	*			trans	-65.4	131.7	152	-34.1	0	0	0	0	106.4	P412	P412-S414 PolarHBondContact O-N 3.41Å
415	S	28.5	Very low	39.7	Very low	72 Å²	72	98 Å²	98	50%	0.503	59%	0.586	S	S	.	*	S	Bend	trans	72.7	101.7	175.6	36.5	0	0	0	0	119.6
416	S	27.9	Very low	37.4	Very low	104 Å²	104	100.4 Å²	100.4	73%	0.727	59%	0.594	S	S	*	*				47.6	135.8	127.1	60.8	0	0	0	0	122.8
417	S	26.4	Very low	35.7	Very low	97 Å²	97	105.4 Å²	105.4	68%	0.678	62%	0.617	S	S	*	*			trans	86.3	87.7	155.7	69.6	0	0	0	0	117.8
418	L	27.4	Very low	34.8	Very low	153 Å²	153	108.2 Å²	108.2	80%	0.801	63%	0.629	S	S	*	*				-172.2	143	118.6	-93.5	165.6	0	0	0	108.7	V420	L418-V420 PolarHBondContact O-N 3.22Å
419	V	29	Very low	34.4	Very low	148 Å²	148	110 Å²	110	90%	0.897	64%	0.635	S	S	*	*			trans	-69.5	83.8	-164.6	-176.6	0	0	0	0	111.2
420	V	27.4	Very low	34.4	Very low	134 Å²	134	115.3 Å²	115.3	81%	0.812	65%	0.653	S	S	*	*	S	Bend	trans	-123	113.2	152.2	179.4	0	0	0	0	105.6	L418 K422	L418-V420 PolarHBondContact O-N 3.22Å; V420-K422 PolarHBondContact O-N 3.43Å
421	S	25.5	Very low	34.5	Very low	96 Å²	96	112.9 Å²	112.9	67%	0.671	63%	0.633	S	S	*	*			trans	-3.8	106.6	-179	-61.9	0	0	0	0	116.2	Q423	S421-Q423 PolarHBondContact O-N 2.92Å
422	K	26	Very low	34.6	Very low	211 Å²	211	115.2 Å²	115.2	92%	0.917	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	16.6	169.9	-92.5	-175.4	174.6	-179	0	115.2	V420	V420-K422 PolarHBondContact O-N 3.43Å
423	Q	24	Very low	35	Very low	181 Å²	181	115.2 Å²	115.2	85%	0.846	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	2.6	-177.8	-73.4	-168.8	-15	0	0	115.3	S421	S421-Q423 PolarHBondContact O-N 2.92Å
424	H	28.3	Very low	35.4	Very low	151 Å²	151	115.2 Å²	115.2	70%	0.699	65%	0.652	S	S	*	*	S	Bend	trans	-128.2	-5.3	-179.8	-106.2	32.5	0	0	0	118.1
425	V	38.3	Very low	36.1	Very low	110 Å²	110	113.6 Å²	113.6	67%	0.667	64%	0.641	S	S	*	*	S	Bend	trans	-89.7	-27.3	-178.8	-175.7	0	0	0	0	113.2
426	N	31.2	Very low	37.1	Very low	150 Å²	150	111.8 Å²	111.8	80%	0.802	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-5.7	-172.4	-75.7	6	0	0	0	115.6
427	N	34.2	Very low	38.3	Very low	149 Å²	149	115.6 Å²	115.6	80%	0.797	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.1	42.1	-178.6	-79.8	-4.7	0	0	0	112.2	K429	N427-K429 PolarHBondContact O-N 3.07Å; N427-K429 VanDerWaalsContact O-N 3.09Å
428	I	47.8	Very low	40.2	Very low	67 Å²	67	114.5 Å²	114.5	34%	0.344	62%	0.617	S	S	.	*			trans	-69.3	110.1	169.5	-55.1	179.9	0	0	0	106.8	E430 N510 F511 N512	I428-E430 PolarHBondContact O-N 2.8Å; I428-N510 WeakPolarHBondContact CG2-O 3.4Å; I428-F511 VanDerWaalsContact CG2-C 3.45Å; I428-N512 HydrophobicContact CB-CB 4.48Å; I428-N512 VanDerWaalsContact CG2-CA 3.45Å; I428-N512 HydrophobicContact CG2-CB 3.55Å
429	K	49	Very low	42.5	Very low	93 Å²	93	107.6 Å²	107.6	40%	0.404	58%	0.582	S	S	.	*	B	Isolated β-bridge	trans	-60.2	120.3	-173.8	-77.3	179.7	173.6	-175.7	0	109.8	N427 D506 N510	N427-K429 PolarHBondContact O-N 3.07Å; N427-K429 VanDerWaalsContact O-N 3.09Å; K429-D506 IonicContact NZ-OD1 3.31Å; K429-D506 PolarHBondContact NZ-OD1 3.23Å; K429-D506 IonicContact NZ-OD2 2.69Å; K429-D506 PolarHBondContact NZ-OD2 3.01Å; K429-N510 PolarHBondContact N-O 2.88Å
430	E	54.3	Low	45.1	Very low	138 Å²	138	100.8 Å²	100.8	65%	0.645	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-76.3	149.3	149	-65.7	-178.4	179.1	0	0	107.4	I428 P432	I428-E430 PolarHBondContact O-N 2.8Å; E430-P432 WeakPolarHBondContact O-CD 3.45Å; E430-P432 VanDerWaalsContact O-N 3.1Å
431	L	52.3	Low	48.2	Very low	27 Å²	27	95.8 Å²	95.8	14%	0.141	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-58	122.6	176.7	-166.1	76.4	0	0	0	107.7	S433 F511 Y515	L431-S433 PolarHBondContact O-N 2.91Å; L431-F511 HydrophobicContact CD1-CE1 4.32Å; L431-Y515 HydrophobicContact CB-CE1 4.36Å
432	P	46.2	Very low	51.5	Low	66 Å²	66	91.5 Å²	91.5	43%	0.429	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-58.2	134.3	-176.2	20.2	-30.4	0	0	0	109.6	E430 S434 S435	E430-P432 WeakPolarHBondContact O-CD 3.45Å; E430-P432 VanDerWaalsContact O-N 3.1Å; P432-S434 PolarHBondContact O-N 3.26Å; P432-S435 PolarHBondContact O-N 3.36Å; P432-S435 PolarHBondContact O-OG 3.45Å
433	S	45.8	Very low	54.8	Low	94 Å²	94	85 Å²	85	66%	0.657	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-10.6	-176.7	-46	0	0	0	0	114.1	L431 I436	L431-S433 PolarHBondContact O-N 2.91Å; S433-I436 VanDerWaalsContact O-CD1 3.31Å; S433-I436 WeakPolarHBondContact O-CD1 3.39Å; S433-I436 WeakPolarHBondContact O-CG1 3.46Å
434	S	41.4	Very low	58.2	Low	96 Å²	96	76.4 Å²	76.4	67%	0.671	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-23.8	-177.6	55	0	0	0	0	115.5	P432 I436	P432-S434 PolarHBondContact O-N 3.26Å; S434-I436 PolarHBondContact O-N 2.96Å
435	S	47.2	Very low	61.4	Low	49 Å²	49	70.8 Å²	70.8	34%	0.343	39%	0.391	S	S	.	.	S	Bend	trans	-87.3	10.7	-179.4	63	0	0	0	0	114	P432 Y437	P432-S435 PolarHBondContact O-N 3.36Å; P432-S435 PolarHBondContact O-OG 3.45Å; S435-Y437 VanDerWaalsContact C-N 3.26Å; S435-Y437 PolarHBondContact O-N 3.21Å; S435-Y437 VanDerWaalsContact O-N 3.08Å
436	I	49.8	Very low	64.1	Low	33 Å²	33	70.1 Å²	70.1	17%	0.169	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-3.9	-163.5	-72	-168.9	0	0	0	115.3	S433 S434 N638 M644	S433-I436 VanDerWaalsContact O-CD1 3.31Å; S433-I436 WeakPolarHBondContact O-CD1 3.39Å; S433-I436 WeakPolarHBondContact O-CG1 3.46Å; S434-I436 PolarHBondContact O-N 2.96Å; I436-N638 HydrophobicContact CG2-CB 3.86Å; I436-N638 VanDerWaalsContact CG2-CG 3.47Å; I436-N638 WeakPolarHBondContact CG2-ND2 3.32Å; I436-M644 WeakPolarHBondContact O-CE 3.41Å
437	Y	52.4	Low	67.1	Low	185 Å²	185	63 Å²	63	73%	0.725	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-26.6	-176.2	-67.9	-77.4	0	0	0	114.7	S435	S435-Y437 VanDerWaalsContact C-N 3.26Å; S435-Y437 PolarHBondContact O-N 3.21Å; S435-Y437 VanDerWaalsContact O-N 3.08Å
438	S	66.4	Low	70	Confident	73 Å²	73	59 Å²	59	51%	0.51	32%	0.321	S	S	.	.	S	Bend	trans	-105.2	137.2	-178.8	54.2	0	0	0	0	112.2	M644	S438-M644 WeakPolarHBondContact O-CE 3.27Å
439	A	75.1	Confident	72.2	Confident	8 Å²	8	56 Å²	56	7%	0.066	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-58.3	144.1	171	0	0	0	0	0	110.8	S441 G469 G470	A439-S441 PolarHBondContact O-N 3.27Å; A439-G469 WeakPolarHBondContact O-CA 3.07Å; A439-G470 VanDerWaalsContact CB-CA 3.43Å
440	P	85.4	Confident	74.3	Confident	6 Å²	6	52.7 Å²	52.7	4%	0.039	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-70.1	128.2	-170.1	25.7	-33.5	0	0	0	112.7	L503 N504 P605 I606 T648	P440-L503 HydrophobicContact CB-CD1 3.94Å; P440-N504 VanDerWaalsContact CA-OD1 3.29Å; P440-N504 WeakPolarHBondContact CA-OD1 2.94Å; P440-P605 HydrophobicContact CG-CB 4.05Å; P440-P605 HydrophobicContact CG-CG 4.5Å; P440-I606 HydrophobicContact CB-CD1 4.35Å; P440-I606 HydrophobicContact CB-CG1 4.26Å; P440-I606 HydrophobicContact CG-CD1 4.02Å; P440-I606 HydrophobicContact CG-CG1 3.46Å; P440-I606 VanDerWaalsContact CG-CG1 3.46Å; P440-T648 VanDerWaalsContact O-CB 3.32Å; P440-T648 WeakPolarHBondContact O-CB 3.43Å; P440-T648 PolarHBondContact O-OG1 3.17Å
441	S	91	Very high	76.1	Confident	28 Å²	28	48.3 Å²	48.3	20%	0.196	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-88.4	145.9	170.5	61.8	0	0	0	0	111.2	A439 L467 N504	A439-S441 PolarHBondContact O-N 3.27Å; S441-L467 WeakPolarHBondContact CA-O 2.98Å; S441-N504 PolarHBondContact N-OD1 2.92Å; S441-N504 PolarHBondContact O-N 3.31Å; S441-N504 PolarHBondContact OG-OD1 3.42Å
442	I	94.5	Very high	77.7	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.031	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.8	178.6	-60.3	163.4	0	0	0	108.7	F444 L467 L490 I501 L502 L503 I606	I442-F444 HydrophobicContact CG2-CD2 4.26Å; I442-F444 HydrophobicContact CG2-CE2 3.86Å; I442-L467 HydrophobicContact CB-CB 4Å; I442-L467 HydrophobicContact CB-CD1 3.83Å; I442-L467 HydrophobicContact CB-CG 4.43Å; I442-L467 HydrophobicContact CD1-CD1 4.21Å; I442-L467 HydrophobicContact CG2-CD1 3.89Å; I442-L467 PolarHBondContact N-O 2.88Å; I442-L467 WeakPolarHBondContact O-CA 3.45Å; I442-L467 WeakPolarHBondContact O-CB 3.33Å; I442-L467 PolarHBondContact O-N 3.33Å; I442-L490 HydrophobicContact CD1-CD1 4.43Å; I442-L490 HydrophobicContact CD1-CD2 4.27Å; I442-L490 HydrophobicContact CG2-CD2 3.56Å; I442-I501 HydrophobicContact CG2-CG2 4.26Å; I442-L502 CarbonylContact C-O 3.57Å; I442-L502 WeakPolarHBondContact CA-O 3.05Å; I442-L503 HydrophobicContact CG1-CD1 3.82Å; I442-I606 HydrophobicContact CD1-CD1 4.18Å; I442-I606 HydrophobicContact CD1-CG1 4.44Å; I442-I606 HydrophobicContact CD1-CG2 3.9Å
443	E	95.4	Very high	79.5	Confident	74 Å²	74	51 Å²	51	35%	0.346	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.7	177.8	-168	178.6	164.2	0	0	109.9	M465 F466 I501 L502	E443-M465 CarbonylContact C-O 3.51Å; E443-M465 WeakPolarHBondContact CA-O 3.31Å; E443-F466 HydrophobicContact CB-CD2 4.06Å; E443-F466 HydrophobicContact CG-CD2 4.17Å; E443-I501 CarbonylContact O-C 3.57Å; E443-I501 VanDerWaalsContact O-CA 3.26Å; E443-I501 WeakPolarHBondContact O-CA 3.15Å; E443-L502 HydrophobicContact CB-CB 4.15Å; E443-L502 PolarHBondContact N-O 3.08Å; E443-L502 PolarHBondContact O-N 3.49Å
444	F	96.6	Very high	81.6	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126	166.9	-70.2	-109.6	0	0	0	106.8	I442 V447 L463 S464 M465 L467 V486 L490 I501	I442-F444 HydrophobicContact CG2-CD2 4.26Å; I442-F444 HydrophobicContact CG2-CE2 3.86Å; F444-V447 HydrophobicContact CB-CG2 4.06Å; F444-V447 HydrophobicContact CD1-CB 4.2Å; F444-V447 HydrophobicContact CD1-CG1 4.39Å; F444-V447 HydrophobicContact CD1-CG2 3.9Å; F444-V447 HydrophobicContact CG-CG2 4.45Å; F444-L463 HydrophobicContact CD1-CD2 4.07Å; F444-L463 HydrophobicContact CG-CD2 4.46Å; F444-S464 CarbonylContact O-C 3.52Å; F444-S464 VanDerWaalsContact O-CA 3.27Å; F444-S464 WeakPolarHBondContact O-CA 3.48Å; F444-M465 HydrophobicContact CB-CG 3.74Å; F444-M465 HydrophobicContact CD2-CE 4.45Å; F444-M465 HydrophobicContact CD2-CG 3.64Å; F444-M465 HydrophobicContact CD2-SD 4.19Å; F444-M465 HydrophobicContact CG-CG 3.87Å; F444-M465 PolarHBondContact N-O 2.77Å; F444-M465 PolarHBondContact O-N 3.5Å; F444-L467 HydrophobicContact CE2-CD1 4.39Å; F444-V486 HydrophobicContact CE1-CG1 4.12Å; F444-V486 HydrophobicContact CE2-CG1 4.03Å; F444-V486 HydrophobicContact CZ-CG1 3.52Å; F444-L490 HydrophobicContact CE2-CD1 4.45Å; F444-L490 HydrophobicContact CE2-CD2 3.77Å; F444-L490 HydrophobicContact CE2-CG 4.27Å; F444-L490 HydrophobicContact CZ-CD1 4.3Å; F444-L490 HydrophobicContact CZ-CD2 3.56Å; F444-L490 HydrophobicContact CZ-CG 3.79Å; F444-I501 HydrophobicContact CD1-CD1 3.98Å; F444-I501 HydrophobicContact CD1-CG1 3.75Å; F444-I501 HydrophobicContact CE1-CD1 3.51Å; F444-I501 HydrophobicContact CE1-CG1 3.8Å; F444-I501 HydrophobicContact CE1-CG2 4.49Å; F444-I501 HydrophobicContact CE2-CG2 4.43Å; F444-I501 HydrophobicContact CG-CG1 4.37Å; F444-I501 HydrophobicContact CZ-CD1 4.15Å; F444-I501 HydrophobicContact CZ-CG1 4.46Å; F444-I501 HydrophobicContact CZ-CG2 4.35Å
445	S	94.5	Very high	83.7	Confident	32 Å²	32	53.8 Å²	53.8	22%	0.224	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	104.6	179.3	-49.8	0	0	0	0	109.2	V447 G499 E500	S445-V447 VanDerWaalsContact C-N 3.27Å; S445-V447 PolarHBondContact O-N 3.15Å; S445-G499 CarbonylContact O-C 3.59Å; S445-G499 WeakPolarHBondContact O-CA 3.19Å; S445-E500 PolarHBondContact N-O 3.22Å; S445-E500 PolarHBondContact O-N 3.01Å
446	D	95.1	Very high	85.7	Confident	97 Å²	97	58 Å²	58	52%	0.519	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.5	43.8	176.2	-55.4	-41.3	0	0	0	113.8	K448 L463 S464 G499	D446-K448 PolarHBondContact O-N 2.77Å; D446-L463 PolarHBondContact N-O 2.76Å; D446-S464 PolarHBondContact N-OG 2.64Å; D446-S464 PolarHBondContact OD1-OG 3.45Å; D446-G499 WeakPolarHBondContact O-CA 3.49Å
447	V	94.7	Very high	87.7	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123.5	-172.7	171.8	0	0	0	0	111.4	F444 S445 L460 E462 L463 L489 P496 S498 E500 I501	F444-V447 HydrophobicContact CB-CG2 4.06Å; F444-V447 HydrophobicContact CD1-CB 4.2Å; F444-V447 HydrophobicContact CD1-CG1 4.39Å; F444-V447 HydrophobicContact CD1-CG2 3.9Å; F444-V447 HydrophobicContact CG-CG2 4.45Å; S445-V447 VanDerWaalsContact C-N 3.27Å; S445-V447 PolarHBondContact O-N 3.15Å; V447-L460 HydrophobicContact CG1-CD1 4.4Å; V447-E462 PolarHBondContact O-N 3.14Å; V447-E462 VanDerWaalsContact O-N 3.12Å; V447-L463 HydrophobicContact CB-CB 4.4Å; V447-L463 PolarHBondContact N-O 3.17Å; V447-L463 PolarHBondContact O-N 3.35Å; V447-L489 HydrophobicContact CG1-CD1 4.07Å; V447-P496 HydrophobicContact CG1-CB 3.73Å; V447-S498 WeakPolarHBondContact CA-O 3.4Å; V447-E500 WeakPolarHBondContact CG2-O 3.5Å; V447-I501 HydrophobicContact CG2-CG1 3.97Å
448	K	94.3	Very high	89.5	Confident	65 Å²	65	54.9 Å²	54.9	28%	0.283	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.4	172.1	-164	173.3	-176.4	165.6	0	110.7	D446 I458 L460 I497 S498	D446-K448 PolarHBondContact O-N 2.77Å; K448-I458 HydrophobicContact CG-CG2 4.29Å; K448-L460 WeakPolarHBondContact CA-O 2.92Å; K448-I497 PolarHBondContact O-N 2.71Å; K448-S498 WeakPolarHBondContact CB-OG 3.31Å; K448-S498 PolarHBondContact N-O 3.08Å; K448-S498 PolarHBondContact O-N 3.46Å
449	F	94.6	Very high	90.8	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	140.1	-176.8	-178.1	-100.8	0	0	0	113.5	Y451 V459 L460 T485 L489 Y494	F449-Y451 AromaticContact CE1-CD1 3.84Å; F449-Y451 HydrophobicContact CE1-CD1 3.84Å; F449-Y451 AromaticContact CE1-CD2 3.88Å; F449-Y451 HydrophobicContact CE1-CD2 3.88Å; F449-Y451 AromaticContact CE1-CE1 3.87Å; F449-Y451 HydrophobicContact CE1-CE1 3.87Å; F449-Y451 AromaticContact CE1-CE2 3.9Å; F449-Y451 HydrophobicContact CE1-CE2 3.9Å; F449-Y451 AromaticContact CE1-CG 3.84Å; F449-Y451 HydrophobicContact CE1-CG 3.84Å; F449-Y451 AromaticContact CE1-CZ 3.89Å; F449-Y451 AromaticContact CZ-CD1 3.99Å; F449-Y451 HydrophobicContact CZ-CD1 3.99Å; F449-Y451 HydrophobicContact CZ-CE1 4.18Å; F449-Y451 HydrophobicContact CZ-CG 4.28Å; F449-V459 PolarHBondContact O-N 3.46Å; F449-L460 HydrophobicContact CB-CB 4.12Å; F449-L460 HydrophobicContact CB-CD1 4.29Å; F449-L460 HydrophobicContact CB-CG 4.36Å; F449-L460 PolarHBondContact N-O 3.25Å; F449-L460 PolarHBondContact O-N 3.35Å; F449-T485 HydrophobicContact CD1-CG2 3.33Å; F449-T485 HydrophobicContact CE1-CG2 3.57Å; F449-T485 HydrophobicContact CG-CG2 4.33Å; F449-L489 HydrophobicContact CB-CD1 4.19Å; F449-L489 HydrophobicContact CD2-CD2 3.75Å; F449-L489 HydrophobicContact CE2-CD2 3.9Å; F449-L489 HydrophobicContact CG-CD1 4.23Å; F449-L489 HydrophobicContact CG-CD2 4.15Å; F449-L489 HydrophobicContact CZ-CD2 4.41Å; F449-Y494 VanDerWaalsContact CE2-CB 3.44Å; F449-Y494 HydrophobicContact CE2-CG 4.05Å; F449-Y494 HydrophobicContact CZ-CD1 4.12Å; F449-Y494 HydrophobicContact CZ-CD2 4.05Å; F449-Y494 AromaticContact CZ-CG 3.64Å; F449-Y494 HydrophobicContact CZ-CG 3.64Å
450	V	92.7	Very high	91.7	Very high	24 Å²	24	52.4 Å²	52.4	15%	0.145	27%	0.273	C	S	.	.			trans	-129.7	142.4	169.1	-47.5	0	0	0	0	108.3	I458 I497	V450-I458 HydrophobicContact CG1-CG1 4.11Å; V450-I497 HydrophobicContact CB-CD1 3.97Å; V450-I497 HydrophobicContact CG1-CD1 3.69Å; V450-I497 HydrophobicContact CG2-CD1 3.52Å
451	Y	91.9	Very high	92	Very high	45 Å²	45	54.5 Å²	54.5	18%	0.176	28%	0.284	C	S	.	.			trans	-71.2	137.1	170.6	-75.9	-82.4	0	0	0	109.4	F449 N453 R454 V459 T485 Y494	F449-Y451 AromaticContact CE1-CD1 3.84Å; F449-Y451 HydrophobicContact CE1-CD1 3.84Å; F449-Y451 AromaticContact CE1-CD2 3.88Å; F449-Y451 HydrophobicContact CE1-CD2 3.88Å; F449-Y451 AromaticContact CE1-CE1 3.87Å; F449-Y451 HydrophobicContact CE1-CE1 3.87Å; F449-Y451 AromaticContact CE1-CE2 3.9Å; F449-Y451 HydrophobicContact CE1-CE2 3.9Å; F449-Y451 AromaticContact CE1-CG 3.84Å; F449-Y451 HydrophobicContact CE1-CG 3.84Å; F449-Y451 AromaticContact CE1-CZ 3.89Å; F449-Y451 AromaticContact CZ-CD1 3.99Å; F449-Y451 HydrophobicContact CZ-CD1 3.99Å; F449-Y451 HydrophobicContact CZ-CE1 4.18Å; F449-Y451 HydrophobicContact CZ-CG 4.28Å; Y451-N453 VanDerWaalsContact CB-OD1 3.3Å; Y451-N453 WeakPolarHBondContact CB-OD1 3.34Å; Y451-N453 PolarHBondContact O-N 3.49Å; Y451-N453 VanDerWaalsContact O-N 3.08Å; Y451-R454 CarbonylContact O-C 3.52Å; Y451-R454 PolarHBondContact O-N 2.98Å; Y451-V459 HydrophobicContact CD2-CG2 3.87Å; Y451-V459 HydrophobicContact CE2-CG1 4.4Å; Y451-V459 HydrophobicContact CE2-CG2 4.12Å; Y451-T485 HydrophobicContact CE2-CG2 4.01Å; Y451-T485 WeakPolarHBondContact CE2-OG1 3.4Å; Y451-T485 WeakPolarHBondContact OH-CA 3.44Å; Y451-T485 WeakPolarHBondContact OH-CB 3.17Å; Y451-T485 PolarHBondContact OH-OG1 3.31Å; Y451-Y494 HydrophobicContact CD1-CE1 4.09Å; Y451-Y494 HydrophobicContact CD1-CE2 4.17Å; Y451-Y494 AromaticContact CD1-CZ 3.88Å; Y451-Y494 HydrophobicContact CE1-CD2 4.13Å; Y451-Y494 HydrophobicContact CE1-CE1 4.37Å; Y451-Y494 AromaticContact CE1-CE2 3.61Å; Y451-Y494 HydrophobicContact CE1-CE2 3.61Å; Y451-Y494 AromaticContact CE1-CZ 3.74Å
452	P	85.7	Confident	92.1	Very high	81 Å²	81	58.6 Å²	58.6	53%	0.526	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.7	-179	-28	35.9	0	0	0	114.5	A194 R454 Y494	A194-P452 HydrophobicContact CB-CG 4.09Å; P452-R454 VanDerWaalsContact C-N 3.34Å; P452-Y494 HydrophobicContact CG-CD1 4.47Å
453	N	85.5	Confident	92.1	Very high	70 Å²	70	58.3 Å²	58.3	37%	0.374	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-7.2	177.4	67	-0.4	0	0	0	114	V198 Y451	V198-N453 HydrophobicContact CG2-CB 4.09Å; Y451-N453 VanDerWaalsContact CB-OD1 3.3Å; Y451-N453 WeakPolarHBondContact CB-OD1 3.34Å; Y451-N453 PolarHBondContact O-N 3.49Å; Y451-N453 VanDerWaalsContact O-N 3.08Å
454	R	88.8	Confident	92	Very high	158 Å²	158	57.6 Å²	57.6	60%	0.596	30%	0.301	S	S	*	.			trans	-141.7	63.5	179.6	-66	-178	-172.7	167.8	2.6	110.5	Y451 P452 E456 T457	Y451-R454 CarbonylContact O-C 3.52Å; Y451-R454 PolarHBondContact O-N 2.98Å; P452-R454 VanDerWaalsContact C-N 3.34Å; R454-E456 PolarHBondContact O-N 3.13Å; R454-E456 VanDerWaalsContact O-N 3.17Å; R454-T457 PolarHBondContact O-N 2.76Å
455	P	86.5	Confident	91.9	Very high	89 Å²	89	58.1 Å²	58.1	58%	0.578	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.2	-175.7	26.8	-36.3	0	0	0	113.8	T457	P455-T457 VanDerWaalsContact C-N 3.33Å
456	E	89.7	Confident	91.9	Very high	138 Å²	138	61.5 Å²	61.5	65%	0.645	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.8	179.9	69.5	-70	161.1	0	0	114.3	R454	R454-E456 PolarHBondContact O-N 3.13Å; R454-E456 VanDerWaalsContact O-N 3.17Å
457	T	90.2	Very high	91.9	Very high	70 Å²	70	56.9 Å²	56.9	43%	0.429	29%	0.291	S	S	.	.			trans	-109.6	109.6	-175	-54.2	0	0	0	0	110.9	R454 P455 V459	R454-T457 PolarHBondContact O-N 2.76Å; P455-T457 VanDerWaalsContact C-N 3.33Å; T457-V459 PolarHBondContact O-N 2.82Å
458	I	91.9	Very high	91.7	Very high	82 Å²	82	58 Å²	58	42%	0.421	30%	0.298	S	S	.	.			trans	-74.4	115.5	171.2	-58.8	167.5	0	0	0	108.9	K448 V450 L460 N461	K448-I458 HydrophobicContact CG-CG2 4.29Å; V450-I458 HydrophobicContact CG1-CG1 4.11Å; I458-L460 WeakPolarHBondContact CG2-O 3.4Å; I458-N461 HydrophobicContact CG2-CB 3.87Å
459	V	92.7	Very high	91.5	Very high	29 Å²	29	56.5 Å²	56.5	18%	0.176	30%	0.3	C	S	.	.	S	Bend	trans	-91.8	-41.3	-178.2	-178.3	0	0	0	0	111.5	F449 Y451 T457 T485 G671	F449-V459 PolarHBondContact O-N 3.46Å; Y451-V459 HydrophobicContact CD2-CG2 3.87Å; Y451-V459 HydrophobicContact CE2-CG1 4.4Å; Y451-V459 HydrophobicContact CE2-CG2 4.12Å; T457-V459 PolarHBondContact O-N 2.82Å; V459-T485 HydrophobicContact CG1-CG2 4Å; V459-T485 VanDerWaalsContact CG1-OG1 3.27Å; V459-T485 WeakPolarHBondContact CG1-OG1 3.48Å; V459-G671 WeakPolarHBondContact O-CA 3.34Å
460	L	93.4	Very high	91.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131	171.2	-57.1	-178.6	0	0	0	108.4	V447 K448 F449 I458 L463 T485 V486 L489 M668	V447-L460 HydrophobicContact CG1-CD1 4.4Å; K448-L460 WeakPolarHBondContact CA-O 2.92Å; F449-L460 HydrophobicContact CB-CB 4.12Å; F449-L460 HydrophobicContact CB-CD1 4.29Å; F449-L460 HydrophobicContact CB-CG 4.36Å; F449-L460 PolarHBondContact N-O 3.25Å; F449-L460 PolarHBondContact O-N 3.35Å; I458-L460 WeakPolarHBondContact CG2-O 3.4Å; L460-L463 HydrophobicContact CB-CB 4.43Å; L460-L463 HydrophobicContact CD1-CD2 4.06Å; L460-L463 HydrophobicContact CD2-CD2 4.19Å; L460-T485 HydrophobicContact CD1-CG2 4.09Å; L460-T485 HydrophobicContact CG-CG2 4.13Å; L460-V486 HydrophobicContact CD1-CG2 4.45Å; L460-V486 HydrophobicContact CD2-CG2 4.33Å; L460-L489 HydrophobicContact CD1-CD1 3.43Å; L460-L489 VanDerWaalsContact CD1-CD1 3.43Å; L460-M668 HydrophobicContact CD2-CE 4.13Å
461	N	92.8	Very high	91.1	Very high	50 Å²	50	61.2 Å²	61.2	27%	0.267	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	95.2	-173.6	-173.7	49.2	0	0	0	110.1	I458 L463 G671 Q672	I458-N461 HydrophobicContact CG2-CB 3.87Å; N461-L463 VanDerWaalsContact C-N 3.28Å; N461-L463 PolarHBondContact O-N 3.26Å; N461-G671 PolarHBondContact N-O 2.84Å; N461-Q672 HydrophobicContact CB-CG 4.47Å; N461-Q672 PolarHBondContact ND2-NE2 2.85Å; N461-Q672 WeakPolarHBondContact O-CG 3.3Å; N461-Q672 PolarHBondContact O-NE2 3.19Å
462	E	92.3	Very high	91.1	Very high	114 Å²	114	60.5 Å²	60.5	53%	0.533	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.2	45.7	-178.3	-61.9	169.4	-173.3	0	0	111.5	V447 S464	V447-E462 PolarHBondContact O-N 3.14Å; V447-E462 VanDerWaalsContact O-N 3.12Å; E462-S464 PolarHBondContact O-N 2.83Å
463	L	94	Very high	91.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	114.9	179	-178.8	74.4	0	0	0	109.8	F444 D446 V447 L460 N461 M465 V486 M668 I673	F444-L463 HydrophobicContact CD1-CD2 4.07Å; F444-L463 HydrophobicContact CG-CD2 4.46Å; D446-L463 PolarHBondContact N-O 2.76Å; V447-L463 HydrophobicContact CB-CB 4.4Å; V447-L463 PolarHBondContact N-O 3.17Å; V447-L463 PolarHBondContact O-N 3.35Å; L460-L463 HydrophobicContact CB-CB 4.43Å; L460-L463 HydrophobicContact CD1-CD2 4.06Å; L460-L463 HydrophobicContact CD2-CD2 4.19Å; N461-L463 VanDerWaalsContact C-N 3.28Å; N461-L463 PolarHBondContact O-N 3.26Å; L463-M465 HydrophobicContact CD2-CG 4.43Å; L463-M465 HydrophobicContact CD2-SD 4.08Å; L463-M465 HydrophobicContact CG-CG 4.35Å; L463-M465 HydrophobicContact CG-SD 4.43Å; L463-V486 HydrophobicContact CD2-CG2 3.94Å; L463-M668 HydrophobicContact CD1-SD 4.07Å; L463-I673 HydrophobicContact CD1-CD1 3.91Å; L463-I673 HydrophobicContact CD1-CG1 3.74Å
464	S	94.7	Very high	91.8	Very high	59 Å²	59	53.3 Å²	53.3	41%	0.413	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.1	173.2	-82.3	0	0	0	0	110.8	F444 D446 E462	F444-S464 CarbonylContact O-C 3.52Å; F444-S464 VanDerWaalsContact O-CA 3.27Å; F444-S464 WeakPolarHBondContact O-CA 3.48Å; D446-S464 PolarHBondContact N-OG 2.64Å; D446-S464 PolarHBondContact OD1-OG 3.45Å; E462-S464 PolarHBondContact O-N 2.83Å
465	M	94.9	Very high	92	Very high	13 Å²	13	45.8 Å²	45.8	6%	0.064	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	146.8	179.9	59.1	176.5	-82.8	0	0	112.8	E443 F444 L463 L467 L666 I673	E443-M465 CarbonylContact C-O 3.51Å; E443-M465 WeakPolarHBondContact CA-O 3.31Å; F444-M465 HydrophobicContact CB-CG 3.74Å; F444-M465 HydrophobicContact CD2-CE 4.45Å; F444-M465 HydrophobicContact CD2-CG 3.64Å; F444-M465 HydrophobicContact CD2-SD 4.19Å; F444-M465 HydrophobicContact CG-CG 3.87Å; F444-M465 PolarHBondContact N-O 2.77Å; F444-M465 PolarHBondContact O-N 3.5Å; L463-M465 HydrophobicContact CD2-CG 4.43Å; L463-M465 HydrophobicContact CD2-SD 4.08Å; L463-M465 HydrophobicContact CG-CG 4.35Å; L463-M465 HydrophobicContact CG-SD 4.43Å; M465-L467 HydrophobicContact CE-CD1 3.86Å; M465-L467 HydrophobicContact CE-CD2 3.58Å; M465-L467 HydrophobicContact CE-CG 3.66Å; M465-L666 HydrophobicContact CB-CD1 4.31Å; M465-L666 HydrophobicContact CE-CD1 3.31Å; M465-L666 HydrophobicContact SD-CD1 4.18Å; M465-I673 HydrophobicContact CB-CG1 3.99Å; M465-I673 HydrophobicContact SD-CD1 4.24Å; M465-I673 HydrophobicContact SD-CG1 4.46Å
466	F	94.1	Very high	92.2	Very high	103 Å²	103	42.2 Å²	42.2	45%	0.452	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.7	177	179.4	-109.3	0	0	0	110.4	E443 P468	E443-F466 HydrophobicContact CB-CD2 4.06Å; E443-F466 HydrophobicContact CG-CD2 4.17Å; F466-P468 HydrophobicContact CD1-CG 3.89Å; F466-P468 HydrophobicContact CE1-CB 3.96Å; F466-P468 HydrophobicContact CE1-CG 3.78Å; F466-P468 WeakPolarHBondContact O-CD 3.18Å
467	L	94.2	Very high	92.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	100.7	176.1	-63.9	166.9	0	0	0	107.9	S441 I442 F444 M465 I473 L650 L666	S441-L467 WeakPolarHBondContact CA-O 2.98Å; I442-L467 HydrophobicContact CB-CB 4Å; I442-L467 HydrophobicContact CB-CD1 3.83Å; I442-L467 HydrophobicContact CB-CG 4.43Å; I442-L467 HydrophobicContact CD1-CD1 4.21Å; I442-L467 HydrophobicContact CG2-CD1 3.89Å; I442-L467 PolarHBondContact N-O 2.88Å; I442-L467 WeakPolarHBondContact O-CA 3.45Å; I442-L467 WeakPolarHBondContact O-CB 3.33Å; I442-L467 PolarHBondContact O-N 3.33Å; F444-L467 HydrophobicContact CE2-CD1 4.39Å; M465-L467 HydrophobicContact CE-CD1 3.86Å; M465-L467 HydrophobicContact CE-CD2 3.58Å; M465-L467 HydrophobicContact CE-CG 3.66Å; L467-I473 HydrophobicContact CB-CD1 4.27Å; L467-I473 HydrophobicContact CD2-CB 3.68Å; L467-I473 HydrophobicContact CD2-CD1 3.9Å; L467-I473 HydrophobicContact CD2-CG1 3.69Å; L467-I473 HydrophobicContact CD2-CG2 3.56Å; L467-L650 HydrophobicContact CD2-CD1 3.94Å; L467-L666 HydrophobicContact CD2-CD1 4.12Å
468	P	91.7	Very high	92	Very high	24 Å²	24	37.2 Å²	37.2	16%	0.156	21%	0.206	C	C	.	.			trans	-62.4	141.4	-179.3	-19.7	31.3	0	0	0	111.6	F466 G470 K471 L664	F466-P468 HydrophobicContact CD1-CG 3.89Å; F466-P468 HydrophobicContact CE1-CB 3.96Å; F466-P468 HydrophobicContact CE1-CG 3.78Å; F466-P468 WeakPolarHBondContact O-CD 3.18Å; P468-G470 PolarHBondContact O-N 3.22Å; P468-K471 HydrophobicContact CB-CD 3.94Å; P468-K471 HydrophobicContact CB-CG 4.18Å; P468-K471 HydrophobicContact CG-CD 4.2Å; P468-L664 HydrophobicContact CG-CD2 4.48Å
469	G	89.7	Confident	91.6	Very high	32 Å²	32	39.2 Å²	39.2	33%	0.33	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	132	176.6	0	0	0	0	0	112.4	A439 K471 T648	A439-G469 WeakPolarHBondContact O-CA 3.07Å; G469-K471 VanDerWaalsContact C-N 3.31Å; G469-K471 PolarHBondContact O-N 2.97Å; G469-T648 WeakPolarHBondContact CA-OG1 3.31Å
470	G	87.8	Confident	91.3	Very high	29 Å²	29	41.2 Å²	41.2	30%	0.299	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	8.2	171.2	0	0	0	0	0	115.3	A439 P468 R647 T648	A439-G470 VanDerWaalsContact CB-CA 3.43Å; P468-G470 PolarHBondContact O-N 3.22Å; G470-R647 CarbonylContact C-O 3.52Å; G470-R647 WeakPolarHBondContact CA-O 3.43Å; G470-T648 PolarHBondContact N-OG1 2.91Å
471	K	90.6	Very high	91	Very high	99 Å²	99	41.5 Å²	41.5	43%	0.43	26%	0.256	S	S	.	.			trans	-102.9	161.1	175.9	-65.8	-161.8	179.9	-171.9	0	111.9	P468 G469 I473 V649 D663	P468-K471 HydrophobicContact CB-CD 3.94Å; P468-K471 HydrophobicContact CB-CG 4.18Å; P468-K471 HydrophobicContact CG-CD 4.2Å; G469-K471 VanDerWaalsContact C-N 3.31Å; G469-K471 PolarHBondContact O-N 2.97Å; K471-I473 HydrophobicContact CB-CD1 4.21Å; K471-I473 WeakPolarHBondContact O-CD1 3.32Å; K471-V649 PolarHBondContact O-N 3.41Å; K471-D663 WeakPolarHBondContact CA-OD2 3.47Å; K471-D663 HydrophobicContact CB-CB 4.18Å; K471-D663 HydrophobicContact CD-CB 4.12Å; K471-D663 HydrophobicContact CG-CB 4.46Å
472	V	91.2	Very high	90.9	Very high	30 Å²	30	39.4 Å²	39.4	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.4	169.4	-176.5	0	0	0	0	109.4	M632 V649 I651 A662 D663 L664	V472-M632 HydrophobicContact CG1-SD 4.2Å; V472-M632 HydrophobicContact CG2-SD 4.33Å; V472-V649 HydrophobicContact CB-CB 4.47Å; V472-V649 HydrophobicContact CG1-CB 4.33Å; V472-V649 HydrophobicContact CG1-CG1 4.36Å; V472-V649 HydrophobicContact CG2-CB 4.21Å; V472-V649 HydrophobicContact CG2-CG2 4.3Å; V472-I651 HydrophobicContact CG1-CD1 3.59Å; V472-I651 HydrophobicContact CG1-CG1 4.13Å; V472-A662 HydrophobicContact CG1-CB 4.45Å; V472-D663 PolarHBondContact N-OD2 3.07Å; V472-D663 PolarHBondContact O-N 3.23Å; V472-L664 PolarHBondContact O-N 3.49Å
473	I	94	Very high	90.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.2	-179.1	-53.6	92.8	0	0	0	109.6	L467 K471 T648 V649 L650 I651 L664 L666	L467-I473 HydrophobicContact CB-CD1 4.27Å; L467-I473 HydrophobicContact CD2-CB 3.68Å; L467-I473 HydrophobicContact CD2-CD1 3.9Å; L467-I473 HydrophobicContact CD2-CG1 3.69Å; L467-I473 HydrophobicContact CD2-CG2 3.56Å; K471-I473 HydrophobicContact CB-CD1 4.21Å; K471-I473 WeakPolarHBondContact O-CD1 3.32Å; I473-T648 HydrophobicContact CD1-CG2 4.32Å; I473-V649 PolarHBondContact N-O 2.96Å; I473-L650 HydrophobicContact CB-CD1 4.38Å; I473-L650 HydrophobicContact CG2-CD1 4.32Å; I473-L650 CarbonylContact O-C 3.59Å; I473-L650 WeakPolarHBondContact O-CA 3.31Å; I473-I651 PolarHBondContact O-N 3.33Å; I473-L664 CarbonylContact C-O 3.54Å; I473-L664 VanDerWaalsContact CA-O 3.27Å; I473-L664 WeakPolarHBondContact CA-O 3.31Å; I473-L664 HydrophobicContact CG1-CB 4.24Å; I473-L664 HydrophobicContact CG1-CD2 4.37Å; I473-L664 HydrophobicContact CG2-CB 4.34Å; I473-L664 HydrophobicContact CG2-CD2 4.37Å; I473-L664 HydrophobicContact CG2-CG 4.35Å; I473-L666 HydrophobicContact CG2-CD1 3.76Å; I473-L666 HydrophobicContact CG2-CG 3.87Å
474	A	92.8	Very high	90.8	Very high	0 Å²	0	37 Å²	37	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128	171.7	0	0	0	0	0	110.8	V476 I651 V659 A662 L664 I665 L666	A474-V476 HydrophobicContact CB-CG2 4.42Å; A474-I651 CarbonylContact C-O 3.59Å; A474-I651 WeakPolarHBondContact CA-O 3.42Å; A474-V659 HydrophobicContact CB-CG1 4.27Å; A474-V659 HydrophobicContact CB-CG2 4.41Å; A474-A662 HydrophobicContact CB-CB 3.59Å; A474-L664 PolarHBondContact N-O 2.9Å; A474-I665 HydrophobicContact CB-CG1 4.35Å; A474-I665 CarbonylContact O-C 3.6Å; A474-I665 WeakPolarHBondContact O-CA 3.48Å; A474-L666 PolarHBondContact O-N 3.18Å
475	L	93.5	Very high	90.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	112.7	171.7	-173.3	66.3	0	0	0	109.2	K483 V486 L650 I651 I652 L666 M668 I673	L475-K483 HydrophobicContact CD2-CB 4.05Å; L475-K483 HydrophobicContact CD2-CG 4.27Å; L475-K483 HydrophobicContact CG-CG 4.34Å; L475-V486 HydrophobicContact CD2-CB 4.26Å; L475-V486 HydrophobicContact CD2-CG2 4.06Å; L475-L650 HydrophobicContact CB-CD1 4.09Å; L475-I651 PolarHBondContact N-O 3.1Å; L475-I652 HydrophobicContact CB-CG1 4.48Å; L475-I652 HydrophobicContact CD2-CG1 4.43Å; L475-L666 WeakPolarHBondContact CA-O 3.43Å; L475-L666 HydrophobicContact CD1-CB 3.9Å; L475-M668 HydrophobicContact CD1-CB 4.07Å; L475-M668 HydrophobicContact CD1-SD 4.09Å; L475-M668 HydrophobicContact CD2-SD 4.36Å; L475-I673 HydrophobicContact CD1-CD1 4.03Å
476	V	90.4	Very high	90.7	Very high	13 Å²	13	34 Å²	34	8%	0.079	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.4	-173.8	-175.5	0	0	0	0	109.6	A474 V659 I665 L666 V667 M668 L692	A474-V476 HydrophobicContact CB-CG2 4.42Å; V476-V659 HydrophobicContact CG2-CB 4.4Å; V476-V659 HydrophobicContact CG2-CG1 3.8Å; V476-V659 HydrophobicContact CG2-CG2 3.58Å; V476-I665 HydrophobicContact CG2-CG2 4.1Å; V476-L666 PolarHBondContact N-O 3Å; V476-V667 CarbonylContact O-C 3.52Å; V476-V667 WeakPolarHBondContact O-CA 3.3Å; V476-M668 PolarHBondContact O-N 3.37Å; V476-L692 HydrophobicContact CG1-CD1 3.9Å
477	G	88.8	Confident	90.7	Very high	7 Å²	7	29.1 Å²	29.1	7%	0.072	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.1	166.4	178.2	0	0	0	0	0	112.1	K483 M668	G477-K483 PolarHBondContact O-NZ 3.35Å; G477-M668 VanDerWaalsContact CA-O 3.29Å; G477-M668 WeakPolarHBondContact CA-O 3.43Å
478	Q	86.6	Confident	90.6	Very high	96 Å²	96	30.1 Å²	30.1	45%	0.449	21%	0.206	S	C	.	.			trans	-58.3	161.5	177.4	-72.7	179.3	17.6	0	0	112.4	A481 K483 Y688 L692	Q478-A481 WeakPolarHBondContact O-CB 3.46Å; Q478-A481 PolarHBondContact O-N 3.03Å; Q478-K483 PolarHBondContact O-NZ 2.95Å; Q478-Y688 WeakPolarHBondContact CG-OH 3.41Å; Q478-Y688 PolarHBondContact NE2-OH 2.66Å; Q478-L692 HydrophobicContact CG-CD2 4.43Å
479	S	84.4	Confident	90.7	Very high	124 Å²	124	29 Å²	29	87%	0.867	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	141.5	170.3	-170.9	0	0	0	0	110.1	A481	S479-A481 PolarHBondContact O-N 2.87Å
480	G	85	Confident	91	Very high	72 Å²	72	27.8 Å²	27.8	74%	0.742	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	1.4	-176	0	0	0	0	0	115.7	G482	G480-G482 PolarHBondContact O-N 3.27Å
481	A	87.6	Confident	91.2	Very high	5 Å²	5	27.3 Å²	27.3	4%	0.041	18%	0.175	C	C	.	.	S	Bend	trans	-63.4	-13.2	177.7	0	0	0	0	0	114.4	Q478 S479 K483 M668 G671	Q478-A481 WeakPolarHBondContact O-CB 3.46Å; Q478-A481 PolarHBondContact O-N 3.03Å; S479-A481 PolarHBondContact O-N 2.87Å; A481-K483 HydrophobicContact CB-CG 4.45Å; A481-M668 VanDerWaalsContact C-CE 3.47Å; A481-M668 HydrophobicContact CB-CE 4.46Å; A481-M668 WeakPolarHBondContact O-CE 3.45Å; A481-G671 WeakPolarHBondContact O-CA 3.37Å; A481-G671 PolarHBondContact O-N 3.43Å
482	G	91	Very high	91.3	Very high	6 Å²	6	24 Å²	24	6%	0.062	16%	0.16	C	C	.	.	S	Bend	trans	105.4	11.5	-179.7	0	0	0	0	0	115.2	G480 T485 V486 M668	G480-G482 PolarHBondContact O-N 3.27Å; G482-T485 WeakPolarHBondContact O-CB 3.46Å; G482-T485 PolarHBondContact O-N 3.09Å; G482-T485 VanDerWaalsContact O-N 3.15Å; G482-V486 PolarHBondContact O-N 3.3Å; G482-M668 VanDerWaalsContact CA-CE 3.42Å; G482-M668 WeakPolarHBondContact O-CE 3.3Å
483	K	91.9	Very high	91.3	Very high	14 Å²	14	25 Å²	25	6%	0.061	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-54	-169.5	-55.3	-175.6	-58.9	-81.3	0	112.9	L475 G477 Q478 A481 T485 V486 I652 M668	L475-K483 HydrophobicContact CD2-CB 4.05Å; L475-K483 HydrophobicContact CD2-CG 4.27Å; L475-K483 HydrophobicContact CG-CG 4.34Å; G477-K483 PolarHBondContact O-NZ 3.35Å; Q478-K483 PolarHBondContact O-NZ 2.95Å; A481-K483 HydrophobicContact CB-CG 4.45Å; K483-T485 PolarHBondContact O-N 2.99Å; K483-V486 VanDerWaalsContact O-CB 3.32Å; K483-V486 WeakPolarHBondContact O-CB 3.42Å; K483-V486 PolarHBondContact O-N 2.95Å; K483-I652 HydrophobicContact CB-CD1 4Å; K483-I652 HydrophobicContact CB-CG1 4.25Å; K483-I652 HydrophobicContact CB-CG2 3.83Å; K483-I652 HydrophobicContact CD-CG2 3.87Å; K483-I652 HydrophobicContact CG-CG2 4.47Å; K483-I652 WeakPolarHBondContact O-CD1 3.39Å; K483-M668 HydrophobicContact CB-CE 4.43Å; K483-M668 HydrophobicContact CG-CE 4.01Å
484	S	91.3	Very high	91.2	Very high	51 Å²	51	25.9 Å²	25.9	36%	0.357	17%	0.165	S	C	.	.	H	α-helix	trans	-63.8	-25.3	177.1	-49.4	0	0	0	0	112.3	V486 V487 S488 D610	S484-V486 VanDerWaalsContact C-N 3.33Å; S484-V486 PolarHBondContact O-N 3.31Å; S484-V487 WeakPolarHBondContact O-CB 3.48Å; S484-V487 PolarHBondContact O-N 2.93Å; S484-S488 PolarHBondContact O-N 3.37Å; S484-S488 PolarHBondContact O-OG 3.01Å; S484-D610 WeakPolarHBondContact CB-OD2 3.49Å; S484-D610 PolarHBondContact OG-OD2 3Å
485	T	93.1	Very high	91.1	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.043	18%	0.18	C	C	.	.	H	α-helix	trans	-65	-35.8	173.6	-50.8	0	0	0	0	112.3	F449 Y451 V459 L460 G482 K483 V487 S488 L489	F449-T485 HydrophobicContact CD1-CG2 3.33Å; F449-T485 HydrophobicContact CE1-CG2 3.57Å; F449-T485 HydrophobicContact CG-CG2 4.33Å; Y451-T485 HydrophobicContact CE2-CG2 4.01Å; Y451-T485 WeakPolarHBondContact CE2-OG1 3.4Å; Y451-T485 WeakPolarHBondContact OH-CA 3.44Å; Y451-T485 WeakPolarHBondContact OH-CB 3.17Å; Y451-T485 PolarHBondContact OH-OG1 3.31Å; V459-T485 HydrophobicContact CG1-CG2 4Å; V459-T485 VanDerWaalsContact CG1-OG1 3.27Å; V459-T485 WeakPolarHBondContact CG1-OG1 3.48Å; L460-T485 HydrophobicContact CD1-CG2 4.09Å; L460-T485 HydrophobicContact CG-CG2 4.13Å; G482-T485 WeakPolarHBondContact O-CB 3.46Å; G482-T485 PolarHBondContact O-N 3.09Å; G482-T485 VanDerWaalsContact O-N 3.15Å; K483-T485 PolarHBondContact O-N 2.99Å; T485-V487 VanDerWaalsContact C-N 3.28Å; T485-V487 PolarHBondContact O-N 3.43Å; T485-S488 PolarHBondContact O-N 3.22Å; T485-L489 WeakPolarHBondContact O-CG 3.44Å; T485-L489 PolarHBondContact O-N 3.04Å
486	V	94.8	Very high	91	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.5	-44.1	173.3	178.2	0	0	0	0	110.1	F444 L460 L463 L475 G482 K483 S484 L489 L490 L650 M668	F444-V486 HydrophobicContact CE1-CG1 4.12Å; F444-V486 HydrophobicContact CE2-CG1 4.03Å; F444-V486 HydrophobicContact CZ-CG1 3.52Å; L460-V486 HydrophobicContact CD1-CG2 4.45Å; L460-V486 HydrophobicContact CD2-CG2 4.33Å; L463-V486 HydrophobicContact CD2-CG2 3.94Å; L475-V486 HydrophobicContact CD2-CB 4.26Å; L475-V486 HydrophobicContact CD2-CG2 4.06Å; G482-V486 PolarHBondContact O-N 3.3Å; K483-V486 VanDerWaalsContact O-CB 3.32Å; K483-V486 WeakPolarHBondContact O-CB 3.42Å; K483-V486 PolarHBondContact O-N 2.95Å; S484-V486 VanDerWaalsContact C-N 3.33Å; S484-V486 PolarHBondContact O-N 3.31Å; V486-L489 PolarHBondContact O-N 2.96Å; V486-L490 HydrophobicContact CG1-CD1 4.41Å; V486-L490 WeakPolarHBondContact O-CG 3.47Å; V486-L490 PolarHBondContact O-N 3.49Å; V486-L650 HydrophobicContact CG1-CD2 4.19Å; V486-M668 HydrophobicContact CG2-CE 4.23Å; V486-M668 HydrophobicContact CG2-SD 4.24Å
487	V	94	Very high	91	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-46.4	176.9	173.6	0	0	0	0	111.3	S484 T485 L489 L490 E491 Y523 L608 L650 I652	S484-V487 WeakPolarHBondContact O-CB 3.48Å; S484-V487 PolarHBondContact O-N 2.93Å; T485-V487 VanDerWaalsContact C-N 3.28Å; T485-V487 PolarHBondContact O-N 3.43Å; V487-L489 PolarHBondContact O-N 3.26Å; V487-L490 PolarHBondContact O-N 2.99Å; V487-L490 VanDerWaalsContact O-N 3.07Å; V487-E491 PolarHBondContact O-N 3.35Å; V487-Y523 HydrophobicContact CG1-CD2 3.7Å; V487-Y523 HydrophobicContact CG1-CE2 3.5Å; V487-Y523 VanDerWaalsContact CG1-CE2 3.5Å; V487-Y523 HydrophobicContact CG1-CG 4.46Å; V487-L608 HydrophobicContact CG1-CB 4.34Å; V487-L608 HydrophobicContact CG1-CD1 4Å; V487-L650 HydrophobicContact CG2-CD2 4.49Å; V487-I652 HydrophobicContact CG2-CD1 3.57Å; V487-I652 HydrophobicContact CG2-CG1 4.44Å
488	S	93.3	Very high	91.2	Very high	22 Å²	22	37 Å²	37	15%	0.154	23%	0.227	C	C	.	.	H	α-helix	trans	-57.3	-35.7	177.1	-59.9	0	0	0	0	113.2	S484 T485 R492 F493	S484-S488 PolarHBondContact O-N 3.37Å; S484-S488 PolarHBondContact O-OG 3.01Å; T485-S488 PolarHBondContact O-N 3.22Å; S488-R492 PolarHBondContact O-N 3.09Å; S488-F493 PolarHBondContact O-N 3.34Å
489	L	94.1	Very high	91.5	Very high	1 Å²	1	34 Å²	34	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-74.4	-37.3	175.6	-69.4	177.9	0	0	0	112.6	V447 F449 L460 T485 V486 V487 R492 Y494 I501	V447-L489 HydrophobicContact CG1-CD1 4.07Å; F449-L489 HydrophobicContact CB-CD1 4.19Å; F449-L489 HydrophobicContact CD2-CD2 3.75Å; F449-L489 HydrophobicContact CE2-CD2 3.9Å; F449-L489 HydrophobicContact CG-CD1 4.23Å; F449-L489 HydrophobicContact CG-CD2 4.15Å; F449-L489 HydrophobicContact CZ-CD2 4.41Å; L460-L489 HydrophobicContact CD1-CD1 3.43Å; L460-L489 VanDerWaalsContact CD1-CD1 3.43Å; T485-L489 WeakPolarHBondContact O-CG 3.44Å; T485-L489 PolarHBondContact O-N 3.04Å; V486-L489 PolarHBondContact O-N 2.96Å; V487-L489 PolarHBondContact O-N 3.26Å; L489-R492 WeakPolarHBondContact O-CA 3.43Å; L489-R492 PolarHBondContact O-N 3.12Å; L489-Y494 WeakPolarHBondContact CD2-O 3.4Å; L489-I501 HydrophobicContact CB-CD1 3.73Å; L489-I501 HydrophobicContact CD1-CD1 4.38Å
490	L	94.3	Very high	91.9	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-66.1	-39.9	174.8	-69.5	176.9	0	0	0	112.5	I442 F444 V486 V487 R492 I501 I521 L608 L650	I442-L490 HydrophobicContact CD1-CD1 4.43Å; I442-L490 HydrophobicContact CD1-CD2 4.27Å; I442-L490 HydrophobicContact CG2-CD2 3.56Å; F444-L490 HydrophobicContact CE2-CD1 4.45Å; F444-L490 HydrophobicContact CE2-CD2 3.77Å; F444-L490 HydrophobicContact CE2-CG 4.27Å; F444-L490 HydrophobicContact CZ-CD1 4.3Å; F444-L490 HydrophobicContact CZ-CD2 3.56Å; F444-L490 HydrophobicContact CZ-CG 3.79Å; V486-L490 HydrophobicContact CG1-CD1 4.41Å; V486-L490 WeakPolarHBondContact O-CG 3.47Å; V486-L490 PolarHBondContact O-N 3.49Å; V487-L490 PolarHBondContact O-N 2.99Å; V487-L490 VanDerWaalsContact O-N 3.07Å; L490-R492 PolarHBondContact O-N 3.41Å; L490-I501 HydrophobicContact CD2-CG2 4.04Å; L490-I521 WeakPolarHBondContact O-CD1 3.33Å; L490-L608 HydrophobicContact CB-CD1 3.87Å; L490-L608 HydrophobicContact CD1-CD1 4.18Å; L490-L608 HydrophobicContact CD1-CD2 3.77Å; L490-L650 HydrophobicContact CD1-CD2 3.87Å
491	E	92.8	Very high	92.4	Very high	19 Å²	19	28.9 Å²	28.9	9%	0.089	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-3.7	171.6	-66.9	-164.9	97.8	0	0	112.9	V487 F493 R517 I521 Y523 L608	V487-E491 PolarHBondContact O-N 3.35Å; E491-F493 HydrophobicContact CB-CD1 4.37Å; E491-F493 HydrophobicContact CB-CD2 4.05Å; E491-F493 HydrophobicContact CB-CE1 4.22Å; E491-F493 HydrophobicContact CB-CE2 3.9Å; E491-F493 HydrophobicContact CB-CG 4.28Å; E491-F493 HydrophobicContact CB-CZ 3.97Å; E491-F493 HydrophobicContact CG-CE2 4.41Å; E491-F493 PolarHBondContact O-N 3.13Å; E491-F493 WeakPolarHBondContact OE2-CE2 3.34Å; E491-R517 PolarHBondContact O-NE 3.1Å; E491-R517 PolarHBondContact O-NH2 3.33Å; E491-I521 HydrophobicContact CG-CG2 4.2Å; E491-Y523 WeakPolarHBondContact OE1-CB 3.4Å; E491-Y523 VanDerWaalsContact OE2-CD1 3.31Å; E491-Y523 WeakPolarHBondContact OE2-CD1 3.49Å; E491-L608 HydrophobicContact CG-CD1 4.16Å
492	R	92.3	Very high	92.7	Very high	29 Å²	29	29.9 Å²	29.9	11%	0.109	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	37.9	-178.6	-157.4	178.7	166	-163.7	-3.3	111.7	S488 L489 L490 D495 T509 F511 L516 R517	S488-R492 PolarHBondContact O-N 3.09Å; L489-R492 WeakPolarHBondContact O-CA 3.43Å; L489-R492 PolarHBondContact O-N 3.12Å; L490-R492 PolarHBondContact O-N 3.41Å; R492-D495 WeakPolarHBondContact CG-OD1 3.34Å; R492-D495 IonicContact CZ-OD1 2.74Å; R492-D495 IonicContact NE-OD1 3.42Å; R492-D495 PolarHBondContact NE-OD1 3.27Å; R492-D495 IonicContact NE-OD2 3.92Å; R492-D495 IonicContact NH2-OD1 3.71Å; R492-D495 IonicContact NH2-OD2 3.44Å; R492-D495 PolarHBondContact NH2-OD2 3.3Å; R492-T509 PolarHBondContact NH1-O 2.96Å; R492-F511 PolarHBondContact NH1-O 2.9Å; R492-L516 HydrophobicContact CB-CD2 4.13Å; R492-R517 VanDerWaalsContact C-NH2 3.33Å; R492-R517 PolarHBondContact O-NH2 3.27Å
493	F	91.3	Very high	92.7	Very high	53 Å²	53	29.8 Å²	29.8	23%	0.232	17%	0.168	C	C	.	.	S	Bend	trans	-66.7	-25.8	167.3	-67.1	-32.4	0	0	0	110.8	V193 S488 E491	V193-F493 HydrophobicContact CB-CB 4.19Å; V193-F493 HydrophobicContact CG2-CB 3.93Å; V193-F493 HydrophobicContact CG2-CD1 3.58Å; V193-F493 HydrophobicContact CG2-CE1 4.25Å; V193-F493 HydrophobicContact CG2-CG 3.79Å; S488-F493 PolarHBondContact O-N 3.34Å; E491-F493 HydrophobicContact CB-CD1 4.37Å; E491-F493 HydrophobicContact CB-CD2 4.05Å; E491-F493 HydrophobicContact CB-CE1 4.22Å; E491-F493 HydrophobicContact CB-CE2 3.9Å; E491-F493 HydrophobicContact CB-CG 4.28Å; E491-F493 HydrophobicContact CB-CZ 3.97Å; E491-F493 HydrophobicContact CG-CE2 4.41Å; E491-F493 PolarHBondContact O-N 3.13Å; E491-F493 WeakPolarHBondContact OE2-CE2 3.34Å
494	Y	91.9	Very high	92.5	Very high	18 Å²	18	31.7 Å²	31.7	7%	0.071	18%	0.179	C	C	.	.	S	Bend	trans	-138.7	156	170.4	-42.6	-93.3	0	0	0	109	V193 A194 D197 F449 Y451 P452 L489	V193-Y494 WeakPolarHBondContact CG1-OH 3.37Å; A194-Y494 HydrophobicContact CB-CD1 4.14Å; A194-Y494 HydrophobicContact CB-CE1 3.86Å; D197-Y494 WeakPolarHBondContact OD2-CE1 3.22Å; D197-Y494 PolarHBondContact OD2-OH 3.3Å; F449-Y494 VanDerWaalsContact CE2-CB 3.44Å; F449-Y494 HydrophobicContact CE2-CG 4.05Å; F449-Y494 HydrophobicContact CZ-CD1 4.12Å; F449-Y494 HydrophobicContact CZ-CD2 4.05Å; F449-Y494 AromaticContact CZ-CG 3.64Å; F449-Y494 HydrophobicContact CZ-CG 3.64Å; Y451-Y494 HydrophobicContact CD1-CE1 4.09Å; Y451-Y494 HydrophobicContact CD1-CE2 4.17Å; Y451-Y494 AromaticContact CD1-CZ 3.88Å; Y451-Y494 HydrophobicContact CE1-CD2 4.13Å; Y451-Y494 HydrophobicContact CE1-CE1 4.37Å; Y451-Y494 AromaticContact CE1-CE2 3.61Å; Y451-Y494 HydrophobicContact CE1-CE2 3.61Å; Y451-Y494 AromaticContact CE1-CZ 3.74Å; P452-Y494 HydrophobicContact CG-CD1 4.47Å; L489-Y494 WeakPolarHBondContact CD2-O 3.4Å
495	D	91	Very high	92.3	Very high	59 Å²	59	31.8 Å²	31.8	32%	0.316	19%	0.188	S	C	.	.			trans	-102	148.7	168.8	-73.2	-34	0	0	0	108.9	R492	R492-D495 WeakPolarHBondContact CG-OD1 3.34Å; R492-D495 IonicContact CZ-OD1 2.74Å; R492-D495 IonicContact NE-OD1 3.42Å; R492-D495 PolarHBondContact NE-OD1 3.27Å; R492-D495 IonicContact NE-OD2 3.92Å; R492-D495 IonicContact NH2-OD1 3.71Å; R492-D495 IonicContact NH2-OD2 3.44Å; R492-D495 PolarHBondContact NH2-OD2 3.3Å
496	P	92.2	Very high	92.2	Very high	30 Å²	30	33.7 Å²	33.7	20%	0.195	20%	0.198	C	C	.	.			trans	-68	155.5	177.7	30.6	-36.1	0	0	0	112.2	V447	V447-P496 HydrophobicContact CG1-CB 3.73Å
497	I	90.3	Very high	91.9	Very high	109 Å²	109	37.6 Å²	37.6	56%	0.559	22%	0.215	S	C	*	.	S	Bend	trans	-77.2	-42.5	177.7	-54.9	170.8	0	0	0	110.3	K448 V450	K448-I497 PolarHBondContact O-N 2.71Å; V450-I497 HydrophobicContact CB-CD1 3.97Å; V450-I497 HydrophobicContact CG1-CD1 3.69Å; V450-I497 HydrophobicContact CG2-CD1 3.52Å
498	S	92.6	Very high	91.7	Very high	54 Å²	54	38 Å²	38	38%	0.378	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	162.6	175.3	70.7	0	0	0	0	109.8	V447 K448	V447-S498 WeakPolarHBondContact CA-O 3.4Å; K448-S498 WeakPolarHBondContact CB-OG 3.31Å; K448-S498 PolarHBondContact N-O 3.08Å; K448-S498 PolarHBondContact O-N 3.46Å
499	G	92.5	Very high	91.4	Very high	33 Å²	33	40 Å²	40	34%	0.34	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.2	176.7	-170.2	0	0	0	0	0	112	S445 D446	S445-G499 CarbonylContact O-C 3.59Å; S445-G499 WeakPolarHBondContact O-CA 3.19Å; D446-G499 WeakPolarHBondContact O-CA 3.49Å
500	E	93.7	Very high	91.1	Very high	79 Å²	79	42.7 Å²	42.7	37%	0.369	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.5	-173	-58.5	-172.1	169.6	0	0	110.9	S445 V447 L502 K507	S445-E500 PolarHBondContact N-O 3.22Å; S445-E500 PolarHBondContact O-N 3.01Å; V447-E500 WeakPolarHBondContact CG2-O 3.5Å; E500-L502 HydrophobicContact CB-CD2 4.38Å; E500-K507 VanDerWaalsContact CD-CE 3.49Å; E500-K507 VanDerWaalsContact CD-NZ 3.25Å; E500-K507 WeakPolarHBondContact OE1-CE 3.06Å; E500-K507 IonicContact OE1-NZ 2.74Å; E500-K507 PolarHBondContact OE1-NZ 2.92Å; E500-K507 VanDerWaalsContact OE2-CD 3.3Å; E500-K507 WeakPolarHBondContact OE2-CD 3.39Å; E500-K507 WeakPolarHBondContact OE2-CE 3.44Å; E500-K507 IonicContact OE2-NZ 3.53Å; E500-K507 PolarHBondContact OE2-NZ 2.51Å; E500-K507 VanDerWaalsContact OE2-NZ 3.17Å
501	I	94.5	Very high	90.6	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.051	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.6	170.7	-56.4	172.3	0	0	0	106.4	I442 E443 F444 V447 L489 L490 L508	I442-I501 HydrophobicContact CG2-CG2 4.26Å; E443-I501 CarbonylContact O-C 3.57Å; E443-I501 VanDerWaalsContact O-CA 3.26Å; E443-I501 WeakPolarHBondContact O-CA 3.15Å; F444-I501 HydrophobicContact CD1-CD1 3.98Å; F444-I501 HydrophobicContact CD1-CG1 3.75Å; F444-I501 HydrophobicContact CE1-CD1 3.51Å; F444-I501 HydrophobicContact CE1-CG1 3.8Å; F444-I501 HydrophobicContact CE1-CG2 4.49Å; F444-I501 HydrophobicContact CE2-CG2 4.43Å; F444-I501 HydrophobicContact CG-CG1 4.37Å; F444-I501 HydrophobicContact CZ-CD1 4.15Å; F444-I501 HydrophobicContact CZ-CG1 4.46Å; F444-I501 HydrophobicContact CZ-CG2 4.35Å; V447-I501 HydrophobicContact CG2-CG1 3.97Å; L489-I501 HydrophobicContact CB-CD1 3.73Å; L489-I501 HydrophobicContact CD1-CD1 4.38Å; L490-I501 HydrophobicContact CD2-CG2 4.04Å; I501-L508 HydrophobicContact CB-CB 4.14Å; I501-L508 HydrophobicContact CB-CD2 4.25Å; I501-L508 HydrophobicContact CG2-CB 4.2Å; I501-L508 HydrophobicContact CG2-CD2 3.89Å; I501-L508 VanDerWaalsContact O-CB 3.32Å; I501-L508 WeakPolarHBondContact O-CB 3.3Å; I501-L508 PolarHBondContact O-N 3.08Å
502	L	93.5	Very high	90.2	Very high	26 Å²	26	44.7 Å²	44.7	14%	0.136	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.9	-178.4	-48.8	173.6	0	0	0	109.9	I442 E443 E500 D506 K507	I442-L502 CarbonylContact C-O 3.57Å; I442-L502 WeakPolarHBondContact CA-O 3.05Å; E443-L502 HydrophobicContact CB-CB 4.15Å; E443-L502 PolarHBondContact N-O 3.08Å; E443-L502 PolarHBondContact O-N 3.49Å; E500-L502 HydrophobicContact CB-CD2 4.38Å; L502-D506 CarbonylContact C-O 3.58Å; L502-D506 WeakPolarHBondContact CA-O 3.47Å; L502-K507 HydrophobicContact CD2-CB 4.38Å; L502-K507 HydrophobicContact CD2-CG 3.87Å
503	L	91.8	Very high	90	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	112.9	171	-178.1	71	0	0	0	107.8	P440 I442 G505 D506 L508 F511 L520 I606	P440-L503 HydrophobicContact CB-CD1 3.94Å; I442-L503 HydrophobicContact CG1-CD1 3.82Å; L503-G505 PolarHBondContact O-N 2.79Å; L503-D506 PolarHBondContact N-O 3.22Å; L503-D506 PolarHBondContact O-N 2.99Å; L503-L508 HydrophobicContact CB-CD1 4.36Å; L503-F511 HydrophobicContact CB-CE2 3.93Å; L503-F511 HydrophobicContact CB-CZ 4.25Å; L503-F511 HydrophobicContact CD2-CD1 4.38Å; L503-F511 HydrophobicContact CD2-CD2 4.41Å; L503-F511 HydrophobicContact CD2-CE1 4.02Å; L503-F511 HydrophobicContact CD2-CE2 4.04Å; L503-F511 HydrophobicContact CD2-CZ 3.83Å; L503-F511 HydrophobicContact CG-CE2 4.46Å; L503-F511 HydrophobicContact CG-CZ 4.34Å; L503-L520 HydrophobicContact CD2-CD1 3.98Å; L503-I606 HydrophobicContact CD1-CD1 3.76Å
504	N	88.1	Confident	89.8	Confident	54 Å²	54	46.7 Å²	46.7	29%	0.289	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	35.6	-171	-66.3	-22.7	0	0	0	113.4	P440 S441 D506	P440-N504 VanDerWaalsContact CA-OD1 3.29Å; P440-N504 WeakPolarHBondContact CA-OD1 2.94Å; S441-N504 PolarHBondContact N-OD1 2.92Å; S441-N504 PolarHBondContact O-N 3.31Å; S441-N504 PolarHBondContact OG-OD1 3.42Å; N504-D506 VanDerWaalsContact C-N 3.27Å; N504-D506 PolarHBondContact O-N 2.94Å
505	G	87.1	Confident	89.6	Confident	53 Å²	53	48.4 Å²	48.4	55%	0.546	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-10.1	-178	0	0	0	0	0	115.2	L503	L503-G505 PolarHBondContact O-N 2.79Å
506	D	89.3	Confident	89.5	Confident	48 Å²	48	45.7 Å²	45.7	26%	0.257	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	137	174.1	-86	-43	0	0	0	110.7	K429 L502 L503 N504 L508 F511	K429-D506 IonicContact NZ-OD1 3.31Å; K429-D506 PolarHBondContact NZ-OD1 3.23Å; K429-D506 IonicContact NZ-OD2 2.69Å; K429-D506 PolarHBondContact NZ-OD2 3.01Å; L502-D506 CarbonylContact C-O 3.58Å; L502-D506 WeakPolarHBondContact CA-O 3.47Å; L503-D506 PolarHBondContact N-O 3.22Å; L503-D506 PolarHBondContact O-N 2.99Å; N504-D506 VanDerWaalsContact C-N 3.27Å; N504-D506 PolarHBondContact O-N 2.94Å; D506-L508 PolarHBondContact O-N 3.04Å; D506-F511 HydrophobicContact CB-CE2 3.78Å; D506-F511 HydrophobicContact CB-CZ 3.98Å
507	K	89.6	Confident	89.4	Confident	82 Å²	82	48.1 Å²	48.1	36%	0.357	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	132.3	178.2	-53.8	-172.4	-168.5	-163.6	0	111.5	E500 L502 T509 N510 F511	E500-K507 VanDerWaalsContact CD-CE 3.49Å; E500-K507 VanDerWaalsContact CD-NZ 3.25Å; E500-K507 WeakPolarHBondContact OE1-CE 3.06Å; E500-K507 IonicContact OE1-NZ 2.74Å; E500-K507 PolarHBondContact OE1-NZ 2.92Å; E500-K507 VanDerWaalsContact OE2-CD 3.3Å; E500-K507 WeakPolarHBondContact OE2-CD 3.39Å; E500-K507 WeakPolarHBondContact OE2-CE 3.44Å; E500-K507 IonicContact OE2-NZ 3.53Å; E500-K507 PolarHBondContact OE2-NZ 2.51Å; E500-K507 VanDerWaalsContact OE2-NZ 3.17Å; L502-K507 HydrophobicContact CD2-CB 4.38Å; L502-K507 HydrophobicContact CD2-CG 3.87Å; K507-T509 PolarHBondContact O-N 3.27Å; K507-T509 VanDerWaalsContact O-N 3.15Å; K507-N510 VanDerWaalsContact O-CB 3.27Å; K507-N510 WeakPolarHBondContact O-CB 3.29Å; K507-N510 PolarHBondContact O-N 3.35Å; K507-F511 WeakPolarHBondContact O-CD2 3.37Å
508	L	89.3	Confident	89.3	Confident	11 Å²	11	45.2 Å²	45.2	6%	0.058	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-58.2	-30.9	178.8	-170.5	65.2	0	0	0	111.8	I501 L503 D506 N510 F511 L516	I501-L508 HydrophobicContact CB-CB 4.14Å; I501-L508 HydrophobicContact CB-CD2 4.25Å; I501-L508 HydrophobicContact CG2-CB 4.2Å; I501-L508 HydrophobicContact CG2-CD2 3.89Å; I501-L508 VanDerWaalsContact O-CB 3.32Å; I501-L508 WeakPolarHBondContact O-CB 3.3Å; I501-L508 PolarHBondContact O-N 3.08Å; L503-L508 HydrophobicContact CB-CD1 4.36Å; D506-L508 PolarHBondContact O-N 3.04Å; L508-N510 PolarHBondContact O-N 3Å; L508-F511 PolarHBondContact O-N 3.08Å; L508-L516 HydrophobicContact CD1-CD1 3.85Å; L508-L516 HydrophobicContact CD1-CD2 3.89Å; L508-L516 HydrophobicContact CG-CD2 4.34Å
509	T	87.1	Confident	89	Confident	64 Å²	64	48 Å²	48	39%	0.393	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-64.2	-22.5	176.7	51	0	0	0	0	113.6	R492 K507 F511	R492-T509 PolarHBondContact NH1-O 2.96Å; K507-T509 PolarHBondContact O-N 3.27Å; K507-T509 VanDerWaalsContact O-N 3.15Å; T509-F511 VanDerWaalsContact C-N 3.3Å
510	N	87.7	Confident	88.8	Confident	57 Å²	57	46.8 Å²	46.8	31%	0.305	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-79	-10.7	177.7	-62.4	-19	0	0	0	113.5	I428 K429 K507 L508	I428-N510 WeakPolarHBondContact CG2-O 3.4Å; K429-N510 PolarHBondContact N-O 2.88Å; K507-N510 VanDerWaalsContact O-CB 3.27Å; K507-N510 WeakPolarHBondContact O-CB 3.29Å; K507-N510 PolarHBondContact O-N 3.35Å; L508-N510 PolarHBondContact O-N 3Å
511	F	84.3	Confident	88.7	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.018	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-91.2	148.9	-180	-69.5	-93.6	0	0	0	111.9	I428 L431 R492 L503 D506 K507 L508 T509 V513	I428-F511 VanDerWaalsContact CG2-C 3.45Å; L431-F511 HydrophobicContact CD1-CE1 4.32Å; R492-F511 PolarHBondContact NH1-O 2.9Å; L503-F511 HydrophobicContact CB-CE2 3.93Å; L503-F511 HydrophobicContact CB-CZ 4.25Å; L503-F511 HydrophobicContact CD2-CD1 4.38Å; L503-F511 HydrophobicContact CD2-CD2 4.41Å; L503-F511 HydrophobicContact CD2-CE1 4.02Å; L503-F511 HydrophobicContact CD2-CE2 4.04Å; L503-F511 HydrophobicContact CD2-CZ 3.83Å; L503-F511 HydrophobicContact CG-CE2 4.46Å; L503-F511 HydrophobicContact CG-CZ 4.34Å; D506-F511 HydrophobicContact CB-CE2 3.78Å; D506-F511 HydrophobicContact CB-CZ 3.98Å; K507-F511 WeakPolarHBondContact O-CD2 3.37Å; L508-F511 PolarHBondContact O-N 3.08Å; T509-F511 VanDerWaalsContact C-N 3.3Å; F511-V513 PolarHBondContact O-N 3.39Å
512	N	85.2	Confident	88.6	Confident	61 Å²	61	42.8 Å²	42.8	33%	0.326	23%	0.228	S	C	.	.			trans	-71.1	123.8	175.2	-172.3	-61.9	0	0	0	109	I428 N514 Y515 L516	I428-N512 HydrophobicContact CB-CB 4.48Å; I428-N512 VanDerWaalsContact CG2-CA 3.45Å; I428-N512 HydrophobicContact CG2-CB 3.55Å; N512-N514 PolarHBondContact O-N 2.88Å; N512-N514 WeakPolarHBondContact OD1-CA 3.33Å; N512-N514 WeakPolarHBondContact OD1-CB 3.26Å; N512-N514 PolarHBondContact OD1-N 2.86Å; N512-Y515 WeakPolarHBondContact O-CB 3.44Å; N512-Y515 PolarHBondContact O-N 3Å; N512-Y515 VanDerWaalsContact O-N 3.08Å; N512-Y515 PolarHBondContact OD1-N 2.89Å; N512-L516 WeakPolarHBondContact O-CB 3.32Å; N512-L516 PolarHBondContact O-N 3.37Å
513	V	87.4	Confident	88.6	Confident	8 Å²	8	44.8 Å²	44.8	5%	0.048	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-39.2	-179.4	-178.2	0	0	0	0	112.2	I408 F511 L516 R517	I408-V513 HydrophobicContact CG2-CG2 3.88Å; F511-V513 PolarHBondContact O-N 3.39Å; V513-L516 PolarHBondContact O-N 3.03Å; V513-R517 HydrophobicContact CG1-CG 4.4Å; V513-R517 WeakPolarHBondContact O-CB 3.09Å; V513-R517 WeakPolarHBondContact O-CG 3.4Å; V513-R517 PolarHBondContact O-N 3.22Å
514	N	87.3	Confident	88.6	Confident	117 Å²	117	44.7 Å²	44.7	63%	0.626	23%	0.234	S	C	*	.	H	α-helix	trans	-65.8	-43.8	177.7	-171.4	26.2	0	0	0	110.9	N512 R517 S518	N512-N514 PolarHBondContact O-N 2.88Å; N512-N514 WeakPolarHBondContact OD1-CA 3.33Å; N512-N514 WeakPolarHBondContact OD1-CB 3.26Å; N512-N514 PolarHBondContact OD1-N 2.86Å; N514-R517 PolarHBondContact O-N 2.77Å; N514-S518 WeakPolarHBondContact O-CB 3.49Å; N514-S518 PolarHBondContact O-N 2.92Å; N514-S518 PolarHBondContact O-OG 2.79Å
515	Y	86.5	Confident	88.6	Confident	54 Å²	54	43.4 Å²	43.4	21%	0.212	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-45.8	175.4	179.9	-107.2	0	0	0	111.7	L431 N512 R517 S518 K519 L520	L431-Y515 HydrophobicContact CB-CE1 4.36Å; N512-Y515 WeakPolarHBondContact O-CB 3.44Å; N512-Y515 PolarHBondContact O-N 3Å; N512-Y515 VanDerWaalsContact O-N 3.08Å; N512-Y515 PolarHBondContact OD1-N 2.89Å; Y515-R517 PolarHBondContact O-N 3.38Å; Y515-S518 PolarHBondContact O-N 2.88Å; Y515-K519 HydrophobicContact CD2-CB 4.26Å; Y515-K519 HydrophobicContact CD2-CG 4.22Å; Y515-K519 HydrophobicContact CE2-CB 4.06Å; Y515-K519 HydrophobicContact CE2-CG 4.18Å; Y515-K519 PolarHBondContact O-N 3.27Å; Y515-L520 HydrophobicContact CD1-CD1 3.79Å; Y515-L520 HydrophobicContact CD1-CG 4.04Å; Y515-L520 HydrophobicContact CE1-CD1 3.53Å; Y515-L520 HydrophobicContact CE1-CD2 3.94Å; Y515-L520 HydrophobicContact CE1-CG 3.64Å; Y515-L520 PolarHBondContact O-N 2.87Å
516	L	89.2	Confident	88.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.221	C	C	.	.	I	π-helix	trans	-55.5	-50.8	177.5	-173.7	68.6	0	0	0	111.4	R492 L508 N512 V513 L520 I521	R492-L516 HydrophobicContact CB-CD2 4.13Å; L508-L516 HydrophobicContact CD1-CD1 3.85Å; L508-L516 HydrophobicContact CD1-CD2 3.89Å; L508-L516 HydrophobicContact CG-CD2 4.34Å; N512-L516 WeakPolarHBondContact O-CB 3.32Å; N512-L516 PolarHBondContact O-N 3.37Å; V513-L516 PolarHBondContact O-N 3.03Å; L516-L520 HydrophobicContact CD1-CB 4.19Å; L516-L520 HydrophobicContact CD1-CD1 3.89Å; L516-L520 WeakPolarHBondContact O-CB 3.33Å; L516-L520 PolarHBondContact O-N 3.4Å; L516-I521 HydrophobicContact CD1-CD1 3.71Å; L516-I521 HydrophobicContact CD1-CG1 3.99Å; L516-I521 HydrophobicContact CD2-CD1 4.1Å; L516-I521 HydrophobicContact CG-CD1 3.65Å; L516-I521 HydrophobicContact CG-CG1 4.16Å; L516-I521 PolarHBondContact O-N 3.47Å
517	R	91.6	Very high	88.3	Confident	82 Å²	82	48.9 Å²	48.9	31%	0.309	24%	0.239	S	C	.	.	I	π-helix	trans	-80.4	-27.1	-177.9	-66.1	179.5	-171.1	152.5	6.7	114.1	E491 R492 V513 N514 Y515 K602	E491-R517 PolarHBondContact O-NE 3.1Å; E491-R517 PolarHBondContact O-NH2 3.33Å; R492-R517 VanDerWaalsContact C-NH2 3.33Å; R492-R517 PolarHBondContact O-NH2 3.27Å; V513-R517 HydrophobicContact CG1-CG 4.4Å; V513-R517 WeakPolarHBondContact O-CB 3.09Å; V513-R517 WeakPolarHBondContact O-CG 3.4Å; V513-R517 PolarHBondContact O-N 3.22Å; N514-R517 PolarHBondContact O-N 2.77Å; Y515-R517 PolarHBondContact O-N 3.38Å; R517-K602 WeakPolarHBondContact O-CE 3.28Å; R517-K602 PolarHBondContact O-NZ 3.41Å
518	S	86.9	Confident	88.1	Confident	48 Å²	48	45.3 Å²	45.3	34%	0.336	22%	0.224	S	C	.	.	I	π-helix	trans	-87.5	-32.5	-177.9	63.4	0	0	0	0	113.1	N514 Y515 K602	N514-S518 WeakPolarHBondContact O-CB 3.49Å; N514-S518 PolarHBondContact O-N 2.92Å; N514-S518 PolarHBondContact O-OG 2.79Å; Y515-S518 PolarHBondContact O-N 2.88Å; S518-K602 WeakPolarHBondContact O-CE 3.32Å
519	K	85.5	Confident	87.9	Confident	112 Å²	112	49.1 Å²	49.1	49%	0.487	24%	0.242	S	C	.	.	I	π-helix	trans	-121.5	-40.1	-173	-62	-62.3	-176.5	-179.6	0	114.3	Y515 P605	Y515-K519 HydrophobicContact CD2-CB 4.26Å; Y515-K519 HydrophobicContact CD2-CG 4.22Å; Y515-K519 HydrophobicContact CE2-CB 4.06Å; Y515-K519 HydrophobicContact CE2-CG 4.18Å; Y515-K519 PolarHBondContact O-N 3.27Å; K519-P605 VanDerWaalsContact O-CD 3.32Å; K519-P605 WeakPolarHBondContact O-CD 3.45Å
520	L	88.5	Confident	88	Confident	8 Å²	8	46.7 Å²	46.7	4%	0.042	23%	0.226	C	C	.	.	I	π-helix	trans	-86.5	-42.8	-169.9	-65.8	-179.9	0	0	0	114.3	L503 Y515 L516 P605 I606	L503-L520 HydrophobicContact CD2-CD1 3.98Å; Y515-L520 HydrophobicContact CD1-CD1 3.79Å; Y515-L520 HydrophobicContact CD1-CG 4.04Å; Y515-L520 HydrophobicContact CE1-CD1 3.53Å; Y515-L520 HydrophobicContact CE1-CD2 3.94Å; Y515-L520 HydrophobicContact CE1-CG 3.64Å; Y515-L520 PolarHBondContact O-N 2.87Å; L516-L520 HydrophobicContact CD1-CB 4.19Å; L516-L520 HydrophobicContact CD1-CD1 3.89Å; L516-L520 WeakPolarHBondContact O-CB 3.33Å; L516-L520 PolarHBondContact O-N 3.4Å; L520-P605 HydrophobicContact CD2-CG 3.98Å; L520-P605 WeakPolarHBondContact O-CD 3.39Å; L520-P605 WeakPolarHBondContact O-CG 3.43Å; L520-I606 WeakPolarHBondContact O-CB 3.35Å; L520-I606 PolarHBondContact O-N 3.41Å
521	I	92.5	Very high	88	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	125.7	-172.8	-60.1	-178.7	0	0	0	110.9	L490 E491 L516 K602 I606 L608	L490-I521 WeakPolarHBondContact O-CD1 3.33Å; E491-I521 HydrophobicContact CG-CG2 4.2Å; L516-I521 HydrophobicContact CD1-CD1 3.71Å; L516-I521 HydrophobicContact CD1-CG1 3.99Å; L516-I521 HydrophobicContact CD2-CD1 4.1Å; L516-I521 HydrophobicContact CG-CD1 3.65Å; L516-I521 HydrophobicContact CG-CG1 4.16Å; L516-I521 PolarHBondContact O-N 3.47Å; I521-K602 WeakPolarHBondContact O-CE 3.45Å; I521-K602 PolarHBondContact O-NZ 2.84Å; I521-I606 CarbonylContact C-O 3.59Å; I521-I606 HydrophobicContact CG1-CB 4.33Å; I521-I606 HydrophobicContact CG1-CD1 4.2Å; I521-I606 HydrophobicContact CG1-CG2 4.45Å; I521-L608 HydrophobicContact CG2-CD1 3.6Å; I521-L608 HydrophobicContact CG2-CG 3.96Å
522	G	92.5	Very high	88.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.3	162.7	0	0	0	0	0	109.6	A604 I606 L607 L608	G522-A604 VanDerWaalsContact N-CB 3.29Å; G522-I606 PolarHBondContact N-O 3.37Å; G522-L607 CarbonylContact O-C 3.59Å; G522-L607 WeakPolarHBondContact O-CA 3.48Å; G522-L608 PolarHBondContact O-N 2.82Å
523	Y	93.2	Very high	88.3	Confident	69 Å²	69	52.5 Å²	52.5	27%	0.271	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.9	179.5	173.8	-126.2	0	0	0	111	V487 E491 S525 L608 D610	V487-Y523 HydrophobicContact CG1-CD2 3.7Å; V487-Y523 HydrophobicContact CG1-CE2 3.5Å; V487-Y523 VanDerWaalsContact CG1-CE2 3.5Å; V487-Y523 HydrophobicContact CG1-CG 4.46Å; E491-Y523 WeakPolarHBondContact OE1-CB 3.4Å; E491-Y523 VanDerWaalsContact OE2-CD1 3.31Å; E491-Y523 WeakPolarHBondContact OE2-CD1 3.49Å; Y523-S525 WeakPolarHBondContact OH-CA 3.41Å; Y523-S525 WeakPolarHBondContact OH-CB 3.11Å; Y523-L608 CarbonylContact C-O 3.56Å; Y523-L608 WeakPolarHBondContact CA-O 3.44Å; Y523-L608 HydrophobicContact CD2-CB 3.97Å; Y523-D610 HydrophobicContact CE2-CB 3.92Å
524	I	91.4	Very high	88.5	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	109.7	171.8	-57.6	174.6	0	0	0	107	I596 I599 L607 L608 M609 D610 A612 L628	I524-I596 HydrophobicContact CD1-CG1 3.86Å; I524-I599 HydrophobicContact CD1-CG1 4.32Å; I524-I599 HydrophobicContact CG1-CB 4.48Å; I524-I599 HydrophobicContact CG1-CG1 3.75Å; I524-L607 HydrophobicContact CD1-CD1 4.24Å; I524-L608 PolarHBondContact N-O 3.41Å; I524-M609 HydrophobicContact CB-CG 4.33Å; I524-M609 HydrophobicContact CD1-CG 4.14Å; I524-M609 HydrophobicContact CD1-SD 4.28Å; I524-D610 PolarHBondContact O-N 3.47Å; I524-A612 HydrophobicContact CG2-CB 4.18Å; I524-L628 HydrophobicContact CD1-CD2 3.84Å
525	S	89.7	Confident	88.8	Confident	28 Å²	28	47 Å²	47	20%	0.196	22%	0.224	C	C	.	.			trans	-76	159.4	176.6	61.2	0	0	0	0	112.3	Y523 E527 P528 D610	Y523-S525 WeakPolarHBondContact OH-CA 3.41Å; Y523-S525 WeakPolarHBondContact OH-CB 3.11Å; S525-E527 VanDerWaalsContact C-N 3.31Å; S525-E527 PolarHBondContact O-N 3.05Å; S525-E527 PolarHBondContact OG-O 3.36Å; S525-P528 WeakPolarHBondContact O-CD 3.47Å; S525-P528 WeakPolarHBondContact O-CG 3.12Å; S525-P528 WeakPolarHBondContact OG-CA 3.32Å; S525-D610 CarbonylContact C-O 3.57Å
526	Q	85.6	Confident	89.2	Confident	80 Å²	80	47.3 Å²	47.3	37%	0.374	23%	0.225	S	C	.	.	S	Bend	trans	-55.3	-47	175.9	-179.6	172.6	18.5	0	0	112	P528 Q592 D610 E611	Q526-P528 WeakPolarHBondContact O-CD 3.32Å; Q526-Q592 PolarHBondContact O-NE2 2.98Å; Q526-D610 WeakPolarHBondContact CA-O 3.32Å; Q526-D610 WeakPolarHBondContact CB-O 3.45Å; Q526-D610 PolarHBondContact N-O 3.41Å; Q526-E611 HydrophobicContact CB-CB 4.32Å; Q526-E611 HydrophobicContact CG-CB 4Å; Q526-E611 PolarHBondContact NE2-OE2 3.11Å
527	E	82.6	Confident	89.5	Confident	136 Å²	136	51.2 Å²	51.2	64%	0.636	24%	0.243	S	C	*	.	S	Bend	trans	-113.2	98.3	170.2	-65.1	-169.3	166.9	0	0	110	S525 Q529	S525-E527 VanDerWaalsContact C-N 3.31Å; S525-E527 PolarHBondContact O-N 3.05Å; S525-E527 PolarHBondContact OG-O 3.36Å; E527-Q529 PolarHBondContact O-N 3.19Å
528	P	86	Confident	89.5	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.039	23%	0.229	C	C	.	.			trans	-66.6	126.9	178.6	-25.5	36.5	0	0	0	112.4	S525 Q526 Q592 A595	S525-P528 WeakPolarHBondContact O-CD 3.47Å; S525-P528 WeakPolarHBondContact O-CG 3.12Å; S525-P528 WeakPolarHBondContact OG-CA 3.32Å; Q526-P528 WeakPolarHBondContact O-CD 3.32Å; P528-Q592 HydrophobicContact CG-CB 4.49Å; P528-Q592 HydrophobicContact CG-CG 3.74Å; P528-A595 HydrophobicContact CB-CB 3.53Å; P528-A595 HydrophobicContact CG-CB 3.8Å
529	Q	85.3	Confident	89.9	Confident	92 Å²	92	45 Å²	45	43%	0.43	21%	0.213	S	C	.	.			trans	-82.9	125.8	175	-59.6	-60.2	-31.5	0	0	110.2	E527	E527-Q529 PolarHBondContact O-N 3.19Å
530	I	88.7	Confident	90.4	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.062	20%	0.199	C	C	.	.			trans	-106.1	124	176.6	-57.2	-57.6	0	0	0	107.4	N538 V576 R591 I594	I530-N538 WeakPolarHBondContact CG2-OD1 3.36Å; I530-V576 HydrophobicContact CG2-CB 4Å; I530-V576 HydrophobicContact CG2-CG2 3.4Å; I530-V576 VanDerWaalsContact CG2-CG2 3.4Å; I530-R591 HydrophobicContact CG1-CB 4.18Å; I530-R591 HydrophobicContact CG1-CG 3.95Å; I530-I594 HydrophobicContact CD1-CB 4.24Å; I530-I594 HydrophobicContact CD1-CG2 3.84Å
531	F	87.5	Confident	90.6	Very high	120 Å²	120	45 Å²	45	53%	0.526	21%	0.211	S	C	.	.			trans	-76.1	153.5	-179.5	-63.4	-84.4	0	0	0	110.5	A533 N538 F541 V576	F531-A533 VanDerWaalsContact C-N 3.28Å; F531-A533 PolarHBondContact O-N 2.8Å; F531-N538 PolarHBondContact N-OD1 2.8Å; F531-N538 PolarHBondContact O-ND2 3.26Å; F531-F541 HydrophobicContact CB-CE2 3.89Å; F531-F541 AromaticContact CD2-CD2 3.62Å; F531-F541 HydrophobicContact CD2-CD2 3.62Å; F531-F541 AromaticContact CD2-CE2 3.69Å; F531-F541 HydrophobicContact CD2-CE2 3.69Å; F531-F541 HydrophobicContact CE2-CD2 4.14Å; F531-F541 HydrophobicContact CG-CD2 4.39Å; F531-F541 HydrophobicContact CG-CE2 4.02Å; F531-V576 CarbonylContact C-O 3.58Å
532	N	88	Confident	90.5	Very high	114 Å²	114	45.4 Å²	45.4	61%	0.61	22%	0.216	S	C	*	.	S	Bend	trans	-68.1	81.9	175.2	-169.5	15.7	0	0	0	111.7	V576	N532-V576 WeakPolarHBondContact CA-O 3.33Å
533	A	89.4	Confident	90.4	Very high	11 Å²	11	48.5 Å²	48.5	9%	0.091	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	173.9	-173.6	0	0	0	0	0	109.1	F531 E537 N538 F541 V576	F531-A533 VanDerWaalsContact C-N 3.28Å; F531-A533 PolarHBondContact O-N 2.8Å; A533-E537 HydrophobicContact CB-CB 4.06Å; A533-N538 PolarHBondContact O-ND2 3.27Å; A533-F541 HydrophobicContact CB-CE2 4.42Å; A533-F541 HydrophobicContact CB-CZ 4.26Å; A533-V576 PolarHBondContact N-O 3.34Å; A533-V576 VanDerWaalsContact N-O 3.1Å; A533-V576 WeakPolarHBondContact O-CG2 3.41Å; A533-V576 PolarHBondContact O-N 3.46Å
534	S	91.7	Very high	90.2	Very high	9 Å²	9	52.9 Å²	52.9	6%	0.063	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	158.3	171.7	62.7	0	0	0	0	111.2	R536 E537 N538 T574	S534-R536 PolarHBondContact O-N 3.08Å; S534-E537 PolarHBondContact N-OE2 2.85Å; S534-E537 PolarHBondContact O-N 3.29Å; S534-E537 WeakPolarHBondContact OG-CB 3.41Å; S534-E537 VanDerWaalsContact OG-CD 3.23Å; S534-E537 WeakPolarHBondContact OG-CG 3.37Å; S534-E537 PolarHBondContact OG-N 3.07Å; S534-E537 VanDerWaalsContact OG-N 3.09Å; S534-E537 PolarHBondContact OG-OE2 3.39Å; S534-N538 WeakPolarHBondContact O-CB 3.41Å; S534-N538 PolarHBondContact O-N 3.47Å; S534-N538 PolarHBondContact O-ND2 2.97Å; S534-T574 WeakPolarHBondContact CA-O 3.26Å
535	I	92.6	Very high	90.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-39	172.3	-66.8	173	0	0	0	110.3	E537 N538 I539 I564 L568 Y572 T574 V576 I594	I535-E537 PolarHBondContact O-N 3.38Å; I535-N538 PolarHBondContact O-N 3.23Å; I535-I539 HydrophobicContact CG2-CD1 4.03Å; I535-I539 HydrophobicContact CG2-CG1 4.45Å; I535-I539 WeakPolarHBondContact O-CG1 3.42Å; I535-I539 PolarHBondContact O-N 3.05Å; I535-I564 HydrophobicContact CD1-CG1 4.27Å; I535-I564 HydrophobicContact CG2-CD1 3.62Å; I535-I564 HydrophobicContact CG2-CG1 4.08Å; I535-I564 HydrophobicContact CG2-CG2 4.47Å; I535-L568 HydrophobicContact CD1-CD1 3.12Å; I535-Y572 PolarHBondContact N-O 3.49Å; I535-T574 PolarHBondContact N-O 3.45Å; I535-T574 VanDerWaalsContact N-O 3.13Å; I535-V576 HydrophobicContact CD1-CG1 3.96Å; I535-V576 HydrophobicContact CG1-CB 4.39Å; I535-V576 HydrophobicContact CG1-CG1 3.75Å; I535-V576 HydrophobicContact CG1-CG2 3.66Å; I535-I594 HydrophobicContact CD1-CD1 4.35Å; I535-I594 HydrophobicContact CG1-CD1 4.3Å; I535-I594 HydrophobicContact CG2-CD1 4.11Å; I535-I594 HydrophobicContact CG2-CG1 4.28Å
536	R	95.3	Very high	90.2	Very high	61 Å²	61	57.7 Å²	57.7	23%	0.23	27%	0.273	C	S	.	.	H	α-helix	trans	-52	-53.1	173.8	-166.8	-177.4	-72.8	135.7	10.8	111.7	S534 N538 I539 R540 D548 V551 Y572 D573	S534-R536 PolarHBondContact O-N 3.08Å; R536-N538 PolarHBondContact O-N 3.36Å; R536-I539 PolarHBondContact O-N 3.37Å; R536-R540 WeakPolarHBondContact O-CB 3.49Å; R536-R540 PolarHBondContact O-N 3.37Å; R536-D548 WeakPolarHBondContact CD-OD1 3.28Å; R536-D548 IonicContact NE-OD1 3.87Å; R536-V551 HydrophobicContact CG-CG1 4.17Å; R536-Y572 PolarHBondContact N-O 2.83Å; R536-D573 IonicContact CZ-OD1 2.72Å; R536-D573 IonicContact CZ-OD2 3.22Å; R536-D573 IonicContact NH1-OD1 3.86Å; R536-D573 PolarHBondContact NH1-OD1 3.07Å; R536-D573 IonicContact NH1-OD2 2.66Å; R536-D573 PolarHBondContact NH1-OD2 3.21Å; R536-D573 VanDerWaalsContact NH2-CG 3.33Å; R536-D573 IonicContact NH2-OD1 2.97Å; R536-D573 PolarHBondContact NH2-OD1 3.32Å; R536-D573 IonicContact NH2-OD2 3.75Å; R536-D573 PolarHBondContact NH2-OD2 3.39Å
537	E	94.1	Very high	90.6	Very high	82 Å²	82	57 Å²	57	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-65.1	-40.1	179.2	-72.7	163.5	145.9	0	0	112.1	A533 S534 I535 I539 R540 F541	A533-E537 HydrophobicContact CB-CB 4.06Å; S534-E537 PolarHBondContact N-OE2 2.85Å; S534-E537 PolarHBondContact O-N 3.29Å; S534-E537 WeakPolarHBondContact OG-CB 3.41Å; S534-E537 VanDerWaalsContact OG-CD 3.23Å; S534-E537 WeakPolarHBondContact OG-CG 3.37Å; S534-E537 PolarHBondContact OG-N 3.07Å; S534-E537 VanDerWaalsContact OG-N 3.09Å; S534-E537 PolarHBondContact OG-OE2 3.39Å; I535-E537 PolarHBondContact O-N 3.38Å; E537-I539 VanDerWaalsContact C-N 3.28Å; E537-I539 PolarHBondContact O-N 2.96Å; E537-R540 CarbonylContact O-C 3.36Å; E537-R540 PolarHBondContact O-N 3.42Å; E537-R540 VanDerWaalsContact O-N 3.14Å; E537-F541 HydrophobicContact CB-CE1 4.47Å; E537-F541 HydrophobicContact CB-CZ 4.21Å; E537-F541 WeakPolarHBondContact O-CD1 3.47Å; E537-F541 WeakPolarHBondContact O-CD2 3.5Å; E537-F541 VanDerWaalsContact O-CG 3.28Å; E537-F541 WeakPolarHBondContact O-CG 3.49Å; E537-F541 PolarHBondContact O-N 3.22Å
538	N	93.1	Very high	91.2	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-36.9	177.9	-93.6	-79.3	0	0	0	113.3	I530 F531 A533 S534 I535 R536 I594 R598	I530-N538 WeakPolarHBondContact CG2-OD1 3.36Å; F531-N538 PolarHBondContact N-OD1 2.8Å; F531-N538 PolarHBondContact O-ND2 3.26Å; A533-N538 PolarHBondContact O-ND2 3.27Å; S534-N538 WeakPolarHBondContact O-CB 3.41Å; S534-N538 PolarHBondContact O-N 3.47Å; S534-N538 PolarHBondContact O-ND2 2.97Å; I535-N538 PolarHBondContact O-N 3.23Å; R536-N538 PolarHBondContact O-N 3.36Å; N538-I594 HydrophobicContact CB-CG2 4.37Å; N538-R598 PolarHBondContact O-NE 3.08Å; N538-R598 PolarHBondContact O-NH2 3.22Å; N538-R598 PolarHBondContact OD1-NH2 3.27Å
539	I	95.2	Very high	91.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-73.9	-44.8	173.8	-62.8	173.9	0	0	0	109.6	I535 R536 E537 F541 G542 V551 A554 A555 I564 Y572 I594 A597 L601	I535-I539 HydrophobicContact CG2-CD1 4.03Å; I535-I539 HydrophobicContact CG2-CG1 4.45Å; I535-I539 WeakPolarHBondContact O-CG1 3.42Å; I535-I539 PolarHBondContact O-N 3.05Å; R536-I539 PolarHBondContact O-N 3.37Å; E537-I539 VanDerWaalsContact C-N 3.28Å; E537-I539 PolarHBondContact O-N 2.96Å; I539-F541 PolarHBondContact O-N 3.27Å; I539-F541 VanDerWaalsContact O-N 3.15Å; I539-G542 PolarHBondContact O-N 3.41Å; I539-V551 HydrophobicContact CB-CG1 3.97Å; I539-V551 HydrophobicContact CD1-CG1 4.35Å; I539-V551 HydrophobicContact CG2-CG1 3.9Å; I539-A554 HydrophobicContact CG2-CB 4.48Å; I539-A555 HydrophobicContact CD1-CB 4.02Å; I539-I564 HydrophobicContact CD1-CD1 4.35Å; I539-Y572 HydrophobicContact CD1-CE1 4.46Å; I539-I594 HydrophobicContact CG1-CG2 4.01Å; I539-A597 HydrophobicContact CD1-CB 4.01Å; I539-A597 HydrophobicContact CG1-CB 4.1Å; I539-A597 HydrophobicContact CG2-CB 4.04Å; I539-L601 HydrophobicContact CG2-CD2 4.09Å; I539-L601 WeakPolarHBondContact O-CD2 3.44Å
540	R	96	Very high	92.1	Very high	51 Å²	51	58.4 Å²	58.4	19%	0.192	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-22.3	178	-176.9	167.8	-75.2	135	12	114.1	R536 E537 G542 R543 F544 A546 T547 D548 V551	R536-R540 WeakPolarHBondContact O-CB 3.49Å; R536-R540 PolarHBondContact O-N 3.37Å; E537-R540 CarbonylContact O-C 3.36Å; E537-R540 PolarHBondContact O-N 3.42Å; E537-R540 VanDerWaalsContact O-N 3.14Å; R540-G542 PolarHBondContact O-N 3.38Å; R540-R543 CarbonylContact O-C 3.59Å; R540-R543 PolarHBondContact O-N 3Å; R540-F544 PolarHBondContact O-N 3.11Å; R540-A546 PolarHBondContact NE-O 3.41Å; R540-A546 PolarHBondContact NH2-O 3.5Å; R540-A546 VanDerWaalsContact NH2-O 3.12Å; R540-T547 VanDerWaalsContact NH2-C 3.27Å; R540-T547 PolarHBondContact NH2-O 3.07Å; R540-T547 VanDerWaalsContact NH2-O 3.1Å; R540-D548 IonicContact CZ-OD1 3.64Å; R540-D548 VanDerWaalsContact CZ-OD1 3.22Å; R540-D548 IonicContact NH1-OD1 3.65Å; R540-D548 PolarHBondContact NH1-OD1 2.94Å; R540-D548 IonicContact NH2-OD1 2.73Å; R540-D548 PolarHBondContact NH2-OD1 3.31Å; R540-V551 HydrophobicContact CB-CG2 4.17Å
541	F	92.6	Very high	92.4	Very high	70 Å²	70	57.9 Å²	57.9	31%	0.307	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-14.7	170.1	-61.2	-31.5	0	0	0	114.2	F531 A533 E537 I539 F544	F531-F541 HydrophobicContact CB-CE2 3.89Å; F531-F541 AromaticContact CD2-CD2 3.62Å; F531-F541 HydrophobicContact CD2-CD2 3.62Å; F531-F541 AromaticContact CD2-CE2 3.69Å; F531-F541 HydrophobicContact CD2-CE2 3.69Å; F531-F541 HydrophobicContact CE2-CD2 4.14Å; F531-F541 HydrophobicContact CG-CD2 4.39Å; F531-F541 HydrophobicContact CG-CE2 4.02Å; A533-F541 HydrophobicContact CB-CE2 4.42Å; A533-F541 HydrophobicContact CB-CZ 4.26Å; E537-F541 HydrophobicContact CB-CE1 4.47Å; E537-F541 HydrophobicContact CB-CZ 4.21Å; E537-F541 WeakPolarHBondContact O-CD1 3.47Å; E537-F541 WeakPolarHBondContact O-CD2 3.5Å; E537-F541 VanDerWaalsContact O-CG 3.28Å; E537-F541 WeakPolarHBondContact O-CG 3.49Å; E537-F541 PolarHBondContact O-N 3.22Å; I539-F541 PolarHBondContact O-N 3.27Å; I539-F541 VanDerWaalsContact O-N 3.15Å; F541-F544 HydrophobicContact CD1-CD1 4.39Å; F541-F544 AromaticContact CD1-CE1 3.64Å; F541-F544 HydrophobicContact CD1-CE1 3.64Å; F541-F544 HydrophobicContact CD1-CZ 4.22Å; F541-F544 HydrophobicContact CE1-CE1 4.24Å
542	G	89.8	Confident	92.8	Very high	12 Å²	12	55.5 Å²	55.5	12%	0.124	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-36.2	168.5	0	0	0	0	0	113	I539 R540 R598 K602	I539-G542 PolarHBondContact O-N 3.41Å; R540-G542 PolarHBondContact O-N 3.38Å; G542-R598 WeakPolarHBondContact CA-O 3.13Å; G542-K602 WeakPolarHBondContact O-CA 3.48Å; G542-K602 WeakPolarHBondContact O-CB 3.36Å; G542-K602 WeakPolarHBondContact O-CG 3.46Å
543	R	90.7	Very high	93.1	Very high	65 Å²	65	55.8 Å²	55.8	25%	0.245	27%	0.268	C	S	.	.			trans	-156.8	105.8	176.8	-177.1	174.7	72.2	-178.3	1.6	109.7	R540 D545 A546 E550 L601	R540-R543 CarbonylContact O-C 3.59Å; R540-R543 PolarHBondContact O-N 3Å; R543-D545 VanDerWaalsContact C-N 3.25Å; R543-D545 WeakPolarHBondContact CG-OD1 3.45Å; R543-D545 PolarHBondContact O-N 2.78Å; R543-A546 HydrophobicContact CB-CB 4.32Å; R543-A546 HydrophobicContact CG-CB 4.49Å; R543-A546 WeakPolarHBondContact O-CB 3.4Å; R543-A546 PolarHBondContact O-N 2.89Å; R543-E550 IonicContact CZ-OE1 2.92Å; R543-E550 IonicContact CZ-OE2 2.64Å; R543-E550 IonicContact NH2-OE1 2.88Å; R543-E550 PolarHBondContact NH2-OE1 2.84Å; R543-E550 IonicContact NH2-OE2 3.17Å; R543-E550 PolarHBondContact NH2-OE2 3.11Å; R543-L601 HydrophobicContact CB-CG 4.19Å
544	F	89.8	Confident	93.3	Very high	160 Å²	160	55.5 Å²	55.5	70%	0.702	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.5	-170.8	-69.7	-82.6	0	0	0	114.5	R540 F541 A546	R540-F544 PolarHBondContact O-N 3.11Å; F541-F544 HydrophobicContact CD1-CD1 4.39Å; F541-F544 AromaticContact CD1-CE1 3.64Å; F541-F544 HydrophobicContact CD1-CE1 3.64Å; F541-F544 HydrophobicContact CD1-CZ 4.22Å; F541-F544 HydrophobicContact CE1-CE1 4.24Å; F544-A546 VanDerWaalsContact C-N 3.31Å
545	D	89.6	Confident	93.4	Very high	125 Å²	125	55.1 Å²	55.1	67%	0.668	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	0.5	178	55	-50.3	0	0	0	113.8	R543	R543-D545 VanDerWaalsContact C-N 3.25Å; R543-D545 WeakPolarHBondContact CG-OD1 3.45Å; R543-D545 PolarHBondContact O-N 2.78Å
546	A	91.6	Very high	93.5	Very high	5 Å²	5	60.2 Å²	60.2	4%	0.041	29%	0.285	C	S	.	.			trans	-67.4	135.4	179.7	0	0	0	0	0	112.9	R540 R543 F544 E550 V551 L601	R540-A546 PolarHBondContact NE-O 3.41Å; R540-A546 PolarHBondContact NH2-O 3.5Å; R540-A546 VanDerWaalsContact NH2-O 3.12Å; R543-A546 HydrophobicContact CB-CB 4.32Å; R543-A546 HydrophobicContact CG-CB 4.49Å; R543-A546 WeakPolarHBondContact O-CB 3.4Å; R543-A546 PolarHBondContact O-N 2.89Å; F544-A546 VanDerWaalsContact C-N 3.31Å; A546-E550 WeakPolarHBondContact CA-OE2 3.49Å; A546-E550 HydrophobicContact CB-CB 4.47Å; A546-V551 HydrophobicContact CB-CG2 4.41Å; A546-L601 HydrophobicContact CB-CD1 3.8Å; A546-L601 HydrophobicContact CB-CD2 3.7Å; A546-L601 HydrophobicContact CB-CG 4.01Å
547	T	94.2	Very high	93.4	Very high	66 Å²	66	61.5 Å²	61.5	41%	0.405	30%	0.296	S	S	.	.			trans	-66.3	166.2	173.7	59.4	0	0	0	0	111.8	R540 E549 E550 V551	R540-T547 VanDerWaalsContact NH2-C 3.27Å; R540-T547 PolarHBondContact NH2-O 3.07Å; R540-T547 VanDerWaalsContact NH2-O 3.1Å; T547-E549 VanDerWaalsContact C-N 3.27Å; T547-E549 WeakPolarHBondContact CB-OE2 3.44Å; T547-E550 PolarHBondContact N-OE2 3.25Å; T547-E550 VanDerWaalsContact OG1-CD 3.28Å; T547-E550 WeakPolarHBondContact OG1-CG 3.48Å; T547-E550 PolarHBondContact OG1-N 2.84Å; T547-E550 PolarHBondContact OG1-OE2 3.48Å; T547-V551 WeakPolarHBondContact O-CG2 3.44Å; T547-V551 PolarHBondContact O-N 3.33Å
548	D	94.5	Very high	93.3	Very high	72 Å²	72	57.6 Å²	57.6	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-66.5	-35.1	177.6	-75.8	-16.5	0	0	0	110.5	R536 R540 V551 E552	R536-D548 WeakPolarHBondContact CD-OD1 3.28Å; R536-D548 IonicContact NE-OD1 3.87Å; R540-D548 IonicContact CZ-OD1 3.64Å; R540-D548 VanDerWaalsContact CZ-OD1 3.22Å; R540-D548 IonicContact NH1-OD1 3.65Å; R540-D548 PolarHBondContact NH1-OD1 2.94Å; R540-D548 IonicContact NH2-OD1 2.73Å; R540-D548 PolarHBondContact NH2-OD1 3.31Å; D548-V551 WeakPolarHBondContact O-CB 3.47Å; D548-V551 PolarHBondContact O-N 2.84Å; D548-E552 PolarHBondContact O-N 3.31Å
549	E	95.2	Very high	93.3	Very high	126 Å²	126	62 Å²	62	59%	0.589	30%	0.295	S	S	*	.	H	α-helix	trans	-62.1	-46.9	177.7	-62.8	77.1	-170.8	0	0	111.7	T547 V551 E552 E553	T547-E549 VanDerWaalsContact C-N 3.27Å; T547-E549 WeakPolarHBondContact CB-OE2 3.44Å; E549-V551 VanDerWaalsContact C-N 3.28Å; E549-V551 PolarHBondContact O-N 2.98Å; E549-E552 PolarHBondContact O-N 2.78Å; E549-E553 WeakPolarHBondContact O-CG 3.48Å; E549-E553 PolarHBondContact O-N 2.89Å
550	E	93.8	Very high	93.2	Very high	65 Å²	65	62 Å²	62	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-33	177.7	-69.3	169.4	135.1	0	0	112.1	R543 A546 T547 A554 L601	R543-E550 IonicContact CZ-OE1 2.92Å; R543-E550 IonicContact CZ-OE2 2.64Å; R543-E550 IonicContact NH2-OE1 2.88Å; R543-E550 PolarHBondContact NH2-OE1 2.84Å; R543-E550 IonicContact NH2-OE2 3.17Å; R543-E550 PolarHBondContact NH2-OE2 3.11Å; A546-E550 WeakPolarHBondContact CA-OE2 3.49Å; A546-E550 HydrophobicContact CB-CB 4.47Å; T547-E550 PolarHBondContact N-OE2 3.25Å; T547-E550 VanDerWaalsContact OG1-CD 3.28Å; T547-E550 WeakPolarHBondContact OG1-CG 3.48Å; T547-E550 PolarHBondContact OG1-N 2.84Å; T547-E550 PolarHBondContact OG1-OE2 3.48Å; E550-A554 WeakPolarHBondContact O-CB 3.44Å; E550-A554 PolarHBondContact O-N 2.87Å; E550-L601 HydrophobicContact CB-CD1 3.89Å
551	V	95.5	Very high	93.1	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-65.1	-43.8	174	167.4	0	0	0	0	110.6	R536 I539 R540 A546 T547 D548 E549 A554 A555 L601	R536-V551 HydrophobicContact CG-CG1 4.17Å; I539-V551 HydrophobicContact CB-CG1 3.97Å; I539-V551 HydrophobicContact CD1-CG1 4.35Å; I539-V551 HydrophobicContact CG2-CG1 3.9Å; R540-V551 HydrophobicContact CB-CG2 4.17Å; A546-V551 HydrophobicContact CB-CG2 4.41Å; T547-V551 WeakPolarHBondContact O-CG2 3.44Å; T547-V551 PolarHBondContact O-N 3.33Å; D548-V551 WeakPolarHBondContact O-CB 3.47Å; D548-V551 PolarHBondContact O-N 2.84Å; E549-V551 VanDerWaalsContact C-N 3.28Å; E549-V551 PolarHBondContact O-N 2.98Å; V551-A554 PolarHBondContact O-N 2.79Å; V551-A555 WeakPolarHBondContact O-CB 3.39Å; V551-A555 PolarHBondContact O-N 3.3Å; V551-L601 HydrophobicContact CG2-CD2 3.89Å
552	E	95.7	Very high	93.1	Very high	71 Å²	71	62.9 Å²	62.9	33%	0.332	31%	0.306	S	S	.	.	H	α-helix	trans	-66.9	-39.9	176.2	-68.2	-167.2	178.4	0	0	112.7	D548 E549 A555 K556 Y572	D548-E552 PolarHBondContact O-N 3.31Å; E549-E552 PolarHBondContact O-N 2.78Å; E552-A555 WeakPolarHBondContact O-CB 3.37Å; E552-A555 PolarHBondContact O-N 2.88Å; E552-K556 WeakPolarHBondContact O-CG 3.47Å; E552-K556 PolarHBondContact O-N 2.94Å; E552-Y572 HydrophobicContact CG-CE1 4.5Å; E552-Y572 HydrophobicContact CG-CE2 3.88Å
553	E	94	Very high	93.1	Very high	119 Å²	119	62.8 Å²	62.8	56%	0.556	30%	0.302	S	S	*	.	H	α-helix	trans	-61.3	-45.8	175.3	-74.7	-176	173.8	0	0	111.5	E549 A555 K556 L557	E549-E553 WeakPolarHBondContact O-CG 3.48Å; E549-E553 PolarHBondContact O-N 2.89Å; E553-A555 VanDerWaalsContact C-N 3.28Å; E553-A555 PolarHBondContact O-N 3.05Å; E553-K556 PolarHBondContact O-N 3.07Å; E553-L557 WeakPolarHBondContact O-CG 3.48Å; E553-L557 PolarHBondContact O-N 3.42Å
554	A	93.8	Very high	93.2	Very high	6 Å²	6	59.7 Å²	59.7	5%	0.05	29%	0.29	C	S	.	.	H	α-helix	trans	-61.1	-38.8	175	0	0	0	0	0	111.8	I539 E550 V551 A558 L600 L601	I539-A554 HydrophobicContact CG2-CB 4.48Å; E550-A554 WeakPolarHBondContact O-CB 3.44Å; E550-A554 PolarHBondContact O-N 2.87Å; V551-A554 PolarHBondContact O-N 2.79Å; A554-A558 WeakPolarHBondContact O-CB 3.38Å; A554-A558 PolarHBondContact O-N 3.21Å; A554-A558 VanDerWaalsContact O-N 3.08Å; A554-L600 HydrophobicContact CB-CB 4.35Å; A554-L601 HydrophobicContact CB-CB 3.96Å; A554-L601 HydrophobicContact CB-CD1 4.26Å
555	A	95	Very high	93.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-37.9	175.7	0	0	0	0	0	112.8	I539 V551 E552 E553 A558 Y559 A560 H561 I564 Y572	I539-A555 HydrophobicContact CD1-CB 4.02Å; V551-A555 WeakPolarHBondContact O-CB 3.39Å; V551-A555 PolarHBondContact O-N 3.3Å; E552-A555 WeakPolarHBondContact O-CB 3.37Å; E552-A555 PolarHBondContact O-N 2.88Å; E553-A555 VanDerWaalsContact C-N 3.28Å; E553-A555 PolarHBondContact O-N 3.05Å; A555-A558 PolarHBondContact O-N 3.16Å; A555-Y559 PolarHBondContact O-N 2.82Å; A555-A560 HydrophobicContact CB-CB 4.3Å; A555-A560 WeakPolarHBondContact O-CA 3.5Å; A555-A560 WeakPolarHBondContact O-CB 3.47Å; A555-A560 PolarHBondContact O-N 2.89Å; A555-H561 PolarHBondContact O-N 3.47Å; A555-I564 HydrophobicContact CB-CD1 4.44Å; A555-Y572 HydrophobicContact CB-CE1 3.84Å; A555-Y572 WeakPolarHBondContact CB-OH 3.48Å
556	K	95	Very high	93.4	Very high	107 Å²	107	54.2 Å²	54.2	47%	0.465	27%	0.272	S	S	.	.	H	α-helix	trans	-64.2	-47.5	174.3	-73.8	168.9	-175	165.1	0	110.9	E552 E553 A558 Y559 H561	E552-K556 WeakPolarHBondContact O-CG 3.47Å; E552-K556 PolarHBondContact O-N 2.94Å; E553-K556 PolarHBondContact O-N 3.07Å; K556-A558 PolarHBondContact O-N 2.98Å; K556-Y559 PolarHBondContact O-N 3.24Å; K556-H561 HydrophobicContact CB-CB 4.35Å; K556-H561 WeakPolarHBondContact CE-NE2 3.38Å; K556-H561 HydrophobicContact CG-CB 3.57Å
557	L	91.9	Very high	93.3	Very high	89 Å²	89	59.4 Å²	59.4	47%	0.466	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-28.5	176.9	-72	175.3	0	0	0	113	E553 L600 N630	E553-L557 WeakPolarHBondContact O-CG 3.48Å; E553-L557 PolarHBondContact O-N 3.42Å; L557-L600 HydrophobicContact CB-CD1 3.74Å; L557-N630 PolarHBondContact O-ND2 3.18Å
558	A	92	Very high	93	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	4.3	176.2	0	0	0	0	0	114.6	A554 A555 K556 A560 R593 I596 A597 L600 A627	A554-A558 WeakPolarHBondContact O-CB 3.38Å; A554-A558 PolarHBondContact O-N 3.21Å; A554-A558 VanDerWaalsContact O-N 3.08Å; A555-A558 PolarHBondContact O-N 3.16Å; K556-A558 PolarHBondContact O-N 2.98Å; A558-A560 HydrophobicContact CB-CB 4.38Å; A558-A560 PolarHBondContact O-N 3.23Å; A558-R593 WeakPolarHBondContact CB-O 3.5Å; A558-R593 WeakPolarHBondContact O-CB 3.34Å; A558-R593 WeakPolarHBondContact O-CD 3.37Å; A558-R593 WeakPolarHBondContact O-CG 3.38Å; A558-I596 HydrophobicContact CB-CB 4.3Å; A558-I596 HydrophobicContact CB-CG2 4.13Å; A558-A597 HydrophobicContact CB-CB 3.72Å; A558-L600 HydrophobicContact CB-CD1 4Å; A558-A627 HydrophobicContact CB-CB 4.48Å; A558-A627 WeakPolarHBondContact O-CB 3.32Å
559	Y	93	Very high	92.6	Very high	92 Å²	92	58.6 Å²	58.6	36%	0.361	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	30.6	-172.1	-59.2	-89.2	0	0	0	113.2	A555 K556 R593 N626 A627 N630	A555-Y559 PolarHBondContact O-N 2.82Å; K556-Y559 PolarHBondContact O-N 3.24Å; Y559-R593 VanDerWaalsContact O-CD 3.26Å; Y559-R593 WeakPolarHBondContact O-CD 3.46Å; Y559-R593 PolarHBondContact O-NE 3.28Å; Y559-R593 VanDerWaalsContact O-NE 3.12Å; Y559-N626 HydrophobicContact CD2-CB 4.21Å; Y559-N626 HydrophobicContact CE2-CB 3.58Å; Y559-A627 HydrophobicContact CD2-CB 4.1Å; Y559-N630 WeakPolarHBondContact CE2-ND2 3.47Å
560	A	92.6	Very high	92.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.301	C	S	.	.			trans	-95.1	-28.6	177.9	0	0	0	0	0	112.3	A555 A558 D562 F563 I564 R593	A555-A560 HydrophobicContact CB-CB 4.3Å; A555-A560 WeakPolarHBondContact O-CA 3.5Å; A555-A560 WeakPolarHBondContact O-CB 3.47Å; A555-A560 PolarHBondContact O-N 2.89Å; A558-A560 HydrophobicContact CB-CB 4.38Å; A558-A560 PolarHBondContact O-N 3.23Å; A560-D562 VanDerWaalsContact C-N 3.34Å; A560-D562 PolarHBondContact O-N 3.15Å; A560-F563 VanDerWaalsContact CA-CE1 3.45Å; A560-F563 HydrophobicContact CB-CD1 4.38Å; A560-F563 HydrophobicContact CB-CE1 3.68Å; A560-F563 HydrophobicContact CB-CZ 4.4Å; A560-F563 WeakPolarHBondContact O-CD1 3.41Å; A560-F563 WeakPolarHBondContact O-CE1 3.35Å; A560-F563 PolarHBondContact O-N 2.57Å; A560-I564 HydrophobicContact CB-CD1 3.71Å; A560-I564 WeakPolarHBondContact O-CB 3.27Å; A560-I564 WeakPolarHBondContact O-CD1 3.38Å; A560-I564 WeakPolarHBondContact O-CG1 3.34Å; A560-I564 PolarHBondContact O-N 3.46Å; A560-R593 HydrophobicContact CB-CB 4.08Å
561	H	94.4	Very high	92.2	Very high	43 Å²	43	58.2 Å²	58.2	20%	0.199	29%	0.294	C	S	.	.	H	α-helix	trans	-53.6	-45.1	-174.5	-179.2	58.2	0	0	0	114.2	A555 K556 I564 S565 Y572	A555-H561 PolarHBondContact O-N 3.47Å; K556-H561 HydrophobicContact CB-CB 4.35Å; K556-H561 WeakPolarHBondContact CE-NE2 3.38Å; K556-H561 HydrophobicContact CG-CB 3.57Å; H561-I564 PolarHBondContact O-N 2.98Å; H561-S565 PolarHBondContact CE1-OG 3.02Å; H561-S565 VanDerWaalsContact CE1-OG 3.27Å; H561-S565 PolarHBondContact ND1-OG 3.17Å; H561-S565 WeakPolarHBondContact O-CB 3.44Å; H561-S565 PolarHBondContact O-N 3.01Å; H561-S565 PolarHBondContact O-OG 3.2Å; H561-Y572 AromaticContact ND1-CE2 3.69Å; H561-Y572 AromaticContact ND1-CZ 3.63Å; H561-Y572 PolarHBondContact ND1-OH 3.33Å
562	D	92.1	Very high	92	Very high	97 Å²	97	58.9 Å²	58.9	52%	0.519	30%	0.296	S	S	.	.	H	α-helix	trans	-65.5	-49.3	-173.4	-57.8	-24.8	0	0	0	111.6	A560 I564 S565 N566	A560-D562 VanDerWaalsContact C-N 3.34Å; A560-D562 PolarHBondContact O-N 3.15Å; D562-I564 VanDerWaalsContact C-N 3.31Å; D562-I564 PolarHBondContact O-N 2.81Å; D562-S565 PolarHBondContact O-N 3.26Å; D562-N566 WeakPolarHBondContact O-CB 3.39Å; D562-N566 VanDerWaalsContact O-CG 3.27Å; D562-N566 PolarHBondContact O-N 2.75Å; D562-N566 PolarHBondContact O-ND2 2.78Å
563	F	91	Very high	91.9	Very high	9 Å²	9	59.4 Å²	59.4	4%	0.039	30%	0.301	C	S	.	.	I	π-helix	trans	-70.1	-33.9	179.6	87	-99.7	0	0	0	111.2	A560 D567 L568 L586 Q590 R593 I594	A560-F563 VanDerWaalsContact CA-CE1 3.45Å; A560-F563 HydrophobicContact CB-CD1 4.38Å; A560-F563 HydrophobicContact CB-CE1 3.68Å; A560-F563 HydrophobicContact CB-CZ 4.4Å; A560-F563 WeakPolarHBondContact O-CD1 3.41Å; A560-F563 WeakPolarHBondContact O-CE1 3.35Å; A560-F563 PolarHBondContact O-N 2.57Å; F563-D567 VanDerWaalsContact CA-OD2 3.31Å; F563-D567 WeakPolarHBondContact CA-OD2 3.27Å; F563-D567 VanDerWaalsContact CB-OD2 3.31Å; F563-D567 WeakPolarHBondContact CB-OD2 3.13Å; F563-D567 WeakPolarHBondContact O-CB 3.19Å; F563-D567 PolarHBondContact O-N 3.43Å; F563-D567 VanDerWaalsContact O-N 3.11Å; F563-L568 HydrophobicContact CD2-CD1 4.39Å; F563-L568 HydrophobicContact CE2-CD1 4.25Å; F563-L568 PolarHBondContact O-N 2.88Å; F563-L586 HydrophobicContact CE2-CD2 4.03Å; F563-Q590 HydrophobicContact CD1-CG 4.2Å; F563-Q590 HydrophobicContact CD2-CB 4.43Å; F563-Q590 HydrophobicContact CD2-CG 3.78Å; F563-Q590 HydrophobicContact CE1-CB 4.2Å; F563-Q590 HydrophobicContact CE1-CG 4.07Å; F563-Q590 HydrophobicContact CE2-CB 3.81Å; F563-Q590 HydrophobicContact CE2-CG 3.68Å; F563-Q590 HydrophobicContact CG-CG 4.05Å; F563-Q590 HydrophobicContact CZ-CB 3.68Å; F563-Q590 HydrophobicContact CZ-CG 3.82Å; F563-R593 HydrophobicContact CE1-CB 4.36Å; F563-I594 HydrophobicContact CZ-CD1 3.97Å; F563-I594 HydrophobicContact CZ-CG1 3.99Å
564	I	92.8	Very high	91.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	I	π-helix	trans	-62.9	-48	176.9	-68.6	165.8	0	0	0	109.4	I535 I539 A555 A560 H561 D562 L568 G571 Y572	I535-I564 HydrophobicContact CD1-CG1 4.27Å; I535-I564 HydrophobicContact CG2-CD1 3.62Å; I535-I564 HydrophobicContact CG2-CG1 4.08Å; I535-I564 HydrophobicContact CG2-CG2 4.47Å; I539-I564 HydrophobicContact CD1-CD1 4.35Å; A555-I564 HydrophobicContact CB-CD1 4.44Å; A560-I564 HydrophobicContact CB-CD1 3.71Å; A560-I564 WeakPolarHBondContact O-CB 3.27Å; A560-I564 WeakPolarHBondContact O-CD1 3.38Å; A560-I564 WeakPolarHBondContact O-CG1 3.34Å; A560-I564 PolarHBondContact O-N 3.46Å; H561-I564 PolarHBondContact O-N 2.98Å; D562-I564 VanDerWaalsContact C-N 3.31Å; D562-I564 PolarHBondContact O-N 2.81Å; I564-L568 WeakPolarHBondContact O-CB 3.18Å; I564-G571 VanDerWaalsContact CG2-C 3.48Å; I564-G571 CarbonylContact O-C 3.54Å; I564-G571 WeakPolarHBondContact O-CA 3.31Å; I564-Y572 HydrophobicContact CD1-CD1 4.39Å; I564-Y572 HydrophobicContact CD1-CE1 3.96Å; I564-Y572 HydrophobicContact CG2-CD1 3.68Å; I564-Y572 HydrophobicContact CG2-CD2 3.92Å; I564-Y572 HydrophobicContact CG2-CE1 3.91Å; I564-Y572 HydrophobicContact CG2-CE2 4.16Å; I564-Y572 HydrophobicContact CG2-CG 3.68Å
565	S	92.4	Very high	91.5	Very high	47 Å²	47	57.6 Å²	57.6	33%	0.329	29%	0.294	S	S	.	.	I	π-helix	trans	-81.4	-34.2	-171.9	-48.9	0	0	0	0	113.3	H561 D562	H561-S565 PolarHBondContact CE1-OG 3.02Å; H561-S565 VanDerWaalsContact CE1-OG 3.27Å; H561-S565 PolarHBondContact ND1-OG 3.17Å; H561-S565 WeakPolarHBondContact O-CB 3.44Å; H561-S565 PolarHBondContact O-N 3.01Å; H561-S565 PolarHBondContact O-OG 3.2Å; D562-S565 PolarHBondContact O-N 3.26Å
566	N	90.8	Very high	91.1	Very high	123 Å²	123	57.8 Å²	57.8	66%	0.658	30%	0.295	S	S	*	.	I	π-helix	trans	-99.6	-37.1	-171.8	-57.4	-32	0	0	0	113.2	D562	D562-N566 WeakPolarHBondContact O-CB 3.39Å; D562-N566 VanDerWaalsContact O-CG 3.27Å; D562-N566 PolarHBondContact O-N 2.75Å; D562-N566 PolarHBondContact O-ND2 2.78Å
567	D	88.7	Confident	90.3	Very high	115 Å²	115	54.2 Å²	54.2	62%	0.615	29%	0.289	S	S	*	.	I	π-helix	trans	-98.5	-20.6	-169.6	-53.9	-29.5	0	0	0	112.8	F563	F563-D567 VanDerWaalsContact CA-OD2 3.31Å; F563-D567 WeakPolarHBondContact CA-OD2 3.27Å; F563-D567 VanDerWaalsContact CB-OD2 3.31Å; F563-D567 WeakPolarHBondContact CB-OD2 3.13Å; F563-D567 WeakPolarHBondContact O-CB 3.19Å; F563-D567 PolarHBondContact O-N 3.43Å; F563-D567 VanDerWaalsContact O-N 3.11Å
568	L	88.8	Confident	89	Confident	20 Å²	20	56.2 Å²	56.2	11%	0.105	30%	0.296	C	S	.	.	S	Bend	trans	-97.6	139.9	-178.8	-58.6	179.6	0	0	0	111.8	I535 F563 I564 Y570 G571 T574 A584 L586	I535-L568 HydrophobicContact CD1-CD1 3.12Å; F563-L568 HydrophobicContact CD2-CD1 4.39Å; F563-L568 HydrophobicContact CE2-CD1 4.25Å; F563-L568 PolarHBondContact O-N 2.88Å; I564-L568 WeakPolarHBondContact O-CB 3.18Å; L568-Y570 PolarHBondContact O-N 3.3Å; L568-Y570 VanDerWaalsContact O-N 3.14Å; L568-G571 PolarHBondContact O-N 3.12Å; L568-T574 HydrophobicContact CB-CG2 4.38Å; L568-T574 WeakPolarHBondContact CB-OG1 3.37Å; L568-T574 HydrophobicContact CD1-CG2 4.32Å; L568-A584 HydrophobicContact CD2-CB 4.25Å; L568-L586 HydrophobicContact CD2-CD2 4.48Å
569	P	85.1	Confident	87.3	Confident	100 Å²	100	60 Å²	60	65%	0.649	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.5	-171.9	25.1	-35.2	0	0	0	114.4
570	Y	89.2	Confident	85	Confident	169 Å²	169	60.1 Å²	60.1	66%	0.663	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	21.6	-177.8	-57.1	-70.3	0	0	0	112.7	L568 Y572 D573 T574	L568-Y570 PolarHBondContact O-N 3.3Å; L568-Y570 VanDerWaalsContact O-N 3.14Å; Y570-Y572 PolarHBondContact O-N 2.99Å; Y570-D573 WeakPolarHBondContact O-CB 3.2Å; Y570-D573 PolarHBondContact O-N 2.87Å; Y570-T574 PolarHBondContact N-OG1 2.99Å
571	G	91.6	Very high	82.8	Confident	15 Å²	15	64.3 Å²	64.3	16%	0.155	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	58.7	-134.2	178.7	0	0	0	0	0	112.3	I564 L568 D573 T574	I564-G571 VanDerWaalsContact CG2-C 3.48Å; I564-G571 CarbonylContact O-C 3.54Å; I564-G571 WeakPolarHBondContact O-CA 3.31Å; L568-G571 PolarHBondContact O-N 3.12Å; G571-D573 VanDerWaalsContact C-N 3.26Å; G571-D573 PolarHBondContact O-N 2.86Å; G571-T574 PolarHBondContact N-OG1 3.21Å; G571-T574 WeakPolarHBondContact O-CB 3.31Å; G571-T574 PolarHBondContact O-N 2.97Å; G571-T574 PolarHBondContact O-OG1 3.47Å
572	Y	93	Very high	80.2	Confident	14 Å²	14	67.2 Å²	67.2	6%	0.055	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-64.6	-22.9	174.4	-74.4	-82.4	0	0	0	114.9	I535 R536 I539 E552 A555 H561 I564 Y570 T574	I535-Y572 PolarHBondContact N-O 3.49Å; R536-Y572 PolarHBondContact N-O 2.83Å; I539-Y572 HydrophobicContact CD1-CE1 4.46Å; E552-Y572 HydrophobicContact CG-CE1 4.5Å; E552-Y572 HydrophobicContact CG-CE2 3.88Å; A555-Y572 HydrophobicContact CB-CE1 3.84Å; A555-Y572 WeakPolarHBondContact CB-OH 3.48Å; H561-Y572 AromaticContact ND1-CE2 3.69Å; H561-Y572 AromaticContact ND1-CZ 3.63Å; H561-Y572 PolarHBondContact ND1-OH 3.33Å; I564-Y572 HydrophobicContact CD1-CD1 4.39Å; I564-Y572 HydrophobicContact CD1-CE1 3.96Å; I564-Y572 HydrophobicContact CG2-CD1 3.68Å; I564-Y572 HydrophobicContact CG2-CD2 3.92Å; I564-Y572 HydrophobicContact CG2-CE1 3.91Å; I564-Y572 HydrophobicContact CG2-CE2 4.16Å; I564-Y572 HydrophobicContact CG2-CG 3.68Å; Y570-Y572 PolarHBondContact O-N 2.99Å; Y572-T574 PolarHBondContact O-N 3.19Å
573	D	91.9	Very high	78	Confident	83 Å²	83	67 Å²	67	44%	0.444	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-84.6	1.2	179.1	-67.7	-56.6	0	0	0	112.7	R536 Y570 G571 L575	R536-D573 IonicContact CZ-OD1 2.72Å; R536-D573 IonicContact CZ-OD2 3.22Å; R536-D573 IonicContact NH1-OD1 3.86Å; R536-D573 PolarHBondContact NH1-OD1 3.07Å; R536-D573 IonicContact NH1-OD2 2.66Å; R536-D573 PolarHBondContact NH1-OD2 3.21Å; R536-D573 VanDerWaalsContact NH2-CG 3.33Å; R536-D573 IonicContact NH2-OD1 2.97Å; R536-D573 PolarHBondContact NH2-OD1 3.32Å; R536-D573 IonicContact NH2-OD2 3.75Å; R536-D573 PolarHBondContact NH2-OD2 3.39Å; Y570-D573 WeakPolarHBondContact O-CB 3.2Å; Y570-D573 PolarHBondContact O-N 2.87Å; G571-D573 VanDerWaalsContact C-N 3.26Å; G571-D573 PolarHBondContact O-N 2.86Å; D573-L575 PolarHBondContact O-N 3.38Å; D573-L575 VanDerWaalsContact O-N 3.16Å
574	T	90.5	Very high	76.3	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	42%	0.42	C	S	.	.			trans	-61.3	118.8	174	-55.2	0	0	0	0	110	S534 I535 L568 Y570 G571 Y572 V576 I583 A584	S534-T574 WeakPolarHBondContact CA-O 3.26Å; I535-T574 PolarHBondContact N-O 3.45Å; I535-T574 VanDerWaalsContact N-O 3.13Å; L568-T574 HydrophobicContact CB-CG2 4.38Å; L568-T574 WeakPolarHBondContact CB-OG1 3.37Å; L568-T574 HydrophobicContact CD1-CG2 4.32Å; Y570-T574 PolarHBondContact N-OG1 2.99Å; G571-T574 PolarHBondContact N-OG1 3.21Å; G571-T574 WeakPolarHBondContact O-CB 3.31Å; G571-T574 PolarHBondContact O-N 2.97Å; G571-T574 PolarHBondContact O-OG1 3.47Å; Y572-T574 PolarHBondContact O-N 3.19Å; T574-V576 HydrophobicContact CG2-CG1 4.32Å; T574-V576 PolarHBondContact O-N 3.12Å; T574-I583 HydrophobicContact CG2-CG2 4.27Å; T574-A584 HydrophobicContact CG2-CB 4.1Å
575	L	88.7	Confident	75.3	Confident	86 Å²	86	72.6 Å²	72.6	45%	0.45	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.5	174.1	-67	172.3	0	0	0	109.9	D573 I583	D573-L575 PolarHBondContact O-N 3.38Å; D573-L575 VanDerWaalsContact O-N 3.16Å; L575-I583 WeakPolarHBondContact O-CG2 3.44Å
576	V	87.5	Confident	74.8	Confident	4 Å²	4	71 Å²	71	2%	0.024	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153.6	-178.4	-69.3	0	0	0	0	109.5	I530 F531 N532 A533 I535 T574 A584 L586	I530-V576 HydrophobicContact CG2-CB 4Å; I530-V576 HydrophobicContact CG2-CG2 3.4Å; I530-V576 VanDerWaalsContact CG2-CG2 3.4Å; F531-V576 CarbonylContact C-O 3.58Å; N532-V576 WeakPolarHBondContact CA-O 3.33Å; A533-V576 PolarHBondContact N-O 3.34Å; A533-V576 VanDerWaalsContact N-O 3.1Å; A533-V576 WeakPolarHBondContact O-CG2 3.41Å; A533-V576 PolarHBondContact O-N 3.46Å; I535-V576 HydrophobicContact CD1-CG1 3.96Å; I535-V576 HydrophobicContact CG1-CB 4.39Å; I535-V576 HydrophobicContact CG1-CG1 3.75Å; I535-V576 HydrophobicContact CG1-CG2 3.66Å; T574-V576 HydrophobicContact CG2-CG1 4.32Å; T574-V576 PolarHBondContact O-N 3.12Å; V576-A584 HydrophobicContact CG1-CB 4.49Å; V576-L586 HydrophobicContact CB-CD1 4.06Å; V576-L586 HydrophobicContact CG1-CD1 3.82Å; V576-L586 HydrophobicContact CG1-CD2 4.4Å; V576-L586 HydrophobicContact CG1-CG 4.04Å; V576-L586 HydrophobicContact CG2-CD1 4.47Å
577	G	78.3	Confident	74.5	Confident	32 Å²	32	67.5 Å²	67.5	33%	0.33	44%	0.436	S	S	.	.			trans	154.4	161.3	175.3	0	0	0	0	0	113.6
578	Q	64.4	Low	74.3	Confident	132 Å²	132	63.3 Å²	63.3	62%	0.617	42%	0.42	S	S	*	.	S	Bend	trans	-86.4	125.1	174.6	-62	-175.6	2.5	0	0	109.9
579	G	55.6	Low	74.2	Confident	78 Å²	78	62.4 Å²	62.4	80%	0.804	42%	0.415	S	S	*	.	S	Bend	trans	137.7	-5	164.4	0	0	0	0	0	118.8
580	T	44.6	Very low	74.4	Confident	96 Å²	96	59.3 Å²	59.3	59%	0.589	39%	0.392	S	S	*	.	S	Bend	trans	-135.6	136.2	171.1	55.1	0	0	0	0	110.7	T582	T580-T582 PolarHBondContact O-N 2.7Å
581	G	46.8	Very low	74.4	Confident	88 Å²	88	54.9 Å²	54.9	91%	0.907	37%	0.374	S	S	*	.	S	Bend	trans	-66.9	30.6	-169.1	0	0	0	0	0	116.6
582	T	39.8	Very low	74.4	Confident	103 Å²	103	54.6 Å²	54.6	63%	0.632	37%	0.369	S	S	*	.			trans	-154.5	136	176.2	42.1	0	0	0	0	110.5	T580	T580-T582 PolarHBondContact O-N 2.7Å
583	I	46.7	Very low	74.3	Confident	94 Å²	94	54.5 Å²	54.5	48%	0.482	37%	0.368	S	S	.	.	S	Bend	trans	105.5	103.8	161.2	-47	155.3	0	0	0	114.7	T574 L575	T574-I583 HydrophobicContact CG2-CG2 4.27Å; L575-I583 WeakPolarHBondContact O-CG2 3.44Å
584	A	55.3	Low	74.3	Confident	39 Å²	39	50.6 Å²	50.6	32%	0.322	35%	0.347	S	S	.	.			trans	44.6	91.2	173.1	0	0	0	0	0	116.6	L568 T574 V576 L586	L568-A584 HydrophobicContact CD2-CB 4.25Å; T574-A584 HydrophobicContact CG2-CB 4.1Å; V576-A584 HydrophobicContact CG1-CB 4.49Å; A584-L586 PolarHBondContact O-N 3.12Å
585	G	70.7	Confident	74.4	Confident	87 Å²	87	50.9 Å²	50.9	90%	0.897	35%	0.35	S	S	*	.			trans	-64.9	86.6	162.1	0	0	0	0	0	110	S587	G585-S587 PolarHBondContact O-N 3.36Å
586	L	81.8	Confident	74.6	Confident	13 Å²	13	46.8 Å²	46.8	7%	0.068	33%	0.329	C	S	.	.			trans	-57	137.6	174.2	-69	175.5	0	0	0	109.2	F563 L568 V576 A584 Q590 R591 I594	F563-L586 HydrophobicContact CE2-CD2 4.03Å; L568-L586 HydrophobicContact CD2-CD2 4.48Å; V576-L586 HydrophobicContact CB-CD1 4.06Å; V576-L586 HydrophobicContact CG1-CD1 3.82Å; V576-L586 HydrophobicContact CG1-CD2 4.4Å; V576-L586 HydrophobicContact CG1-CG 4.04Å; V576-L586 HydrophobicContact CG2-CD1 4.47Å; A584-L586 PolarHBondContact O-N 3.12Å; L586-Q590 HydrophobicContact CB-CB 4.25Å; L586-Q590 HydrophobicContact CD2-CB 4.17Å; L586-R591 HydrophobicContact CB-CG 3.73Å; L586-R591 HydrophobicContact CD1-CG 4.11Å; L586-R591 PolarHBondContact O-NH1 2.97Å; L586-I594 HydrophobicContact CD1-CD1 3.6Å
587	S	85.1	Confident	74.9	Confident	49 Å²	49	46.6 Å²	46.6	34%	0.343	33%	0.328	S	S	.	.			trans	-65.6	161.6	171.6	78.9	0	0	0	0	110.9	G585 G589 Q590 R591	G585-S587 PolarHBondContact O-N 3.36Å; S587-G589 PolarHBondContact O-N 2.85Å; S587-Q590 PolarHBondContact O-N 3.27Å; S587-Q590 WeakPolarHBondContact OG-CG 3.44Å; S587-Q590 PolarHBondContact OG-N 3.48Å; S587-R591 WeakPolarHBondContact O-CG 3.48Å; S587-R591 PolarHBondContact O-N 3.29Å
588	G	84.1	Confident	75.6	Confident	27 Å²	27	47.1 Å²	47.1	28%	0.278	32%	0.32	S	S	.	.	H	α-helix	trans	-53.6	-42.2	174.9	0	0	0	0	0	112.4	R591 Q592	G588-R591 PolarHBondContact O-N 3.01Å; G588-Q592 PolarHBondContact O-N 3.45Å; G588-Q592 VanDerWaalsContact O-N 3.09Å
589	G	87.3	Confident	76.9	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-69.4	-37.2	-179.9	0	0	0	0	0	113.1	S587 Q592 R593	S587-G589 PolarHBondContact O-N 2.85Å; G589-Q592 PolarHBondContact O-N 3.38Å; G589-R593 WeakPolarHBondContact O-CG 3.34Å; G589-R593 PolarHBondContact O-N 3Å
590	Q	89.8	Confident	78.6	Confident	35 Å²	35	38.3 Å²	38.3	16%	0.164	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-43.7	174.1	-73.6	170.9	-19.1	0	0	111.6	F563 L586 S587 Q592 R593 I594	F563-Q590 HydrophobicContact CD1-CG 4.2Å; F563-Q590 HydrophobicContact CD2-CB 4.43Å; F563-Q590 HydrophobicContact CD2-CG 3.78Å; F563-Q590 HydrophobicContact CE1-CB 4.2Å; F563-Q590 HydrophobicContact CE1-CG 4.07Å; F563-Q590 HydrophobicContact CE2-CB 3.81Å; F563-Q590 HydrophobicContact CE2-CG 3.68Å; F563-Q590 HydrophobicContact CG-CG 4.05Å; F563-Q590 HydrophobicContact CZ-CB 3.68Å; F563-Q590 HydrophobicContact CZ-CG 3.82Å; L586-Q590 HydrophobicContact CB-CB 4.25Å; L586-Q590 HydrophobicContact CD2-CB 4.17Å; S587-Q590 PolarHBondContact O-N 3.27Å; S587-Q590 WeakPolarHBondContact OG-CG 3.44Å; S587-Q590 PolarHBondContact OG-N 3.48Å; Q590-Q592 VanDerWaalsContact C-N 3.3Å; Q590-Q592 PolarHBondContact O-N 2.85Å; Q590-R593 PolarHBondContact O-N 3.44Å; Q590-I594 WeakPolarHBondContact O-CG1 3.44Å; Q590-I594 PolarHBondContact O-N 3.38Å
591	R	89.6	Confident	80.9	Confident	77 Å²	77	34.3 Å²	34.3	29%	0.291	23%	0.233	S	C	.	.	H	α-helix	trans	-60.3	-40.9	176.1	-67.5	-169.6	-63.3	-100.2	7.2	111.9	I530 L586 S587 G588 I594 A595	I530-R591 HydrophobicContact CG1-CB 4.18Å; I530-R591 HydrophobicContact CG1-CG 3.95Å; L586-R591 HydrophobicContact CB-CG 3.73Å; L586-R591 HydrophobicContact CD1-CG 4.11Å; L586-R591 PolarHBondContact O-NH1 2.97Å; S587-R591 WeakPolarHBondContact O-CG 3.48Å; S587-R591 PolarHBondContact O-N 3.29Å; G588-R591 PolarHBondContact O-N 3.01Å; R591-I594 PolarHBondContact O-N 3.09Å; R591-A595 PolarHBondContact O-N 3.46Å
592	Q	89.9	Confident	83	Confident	8 Å²	8	32.3 Å²	32.3	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-44.3	175.5	-76.2	174.9	-9.9	0	0	112.9	Q526 P528 G588 G589 Q590 I594 A595 I596 A612 V624	Q526-Q592 PolarHBondContact O-NE2 2.98Å; P528-Q592 HydrophobicContact CG-CB 4.49Å; P528-Q592 HydrophobicContact CG-CG 3.74Å; G588-Q592 PolarHBondContact O-N 3.45Å; G588-Q592 VanDerWaalsContact O-N 3.09Å; G589-Q592 PolarHBondContact O-N 3.38Å; Q590-Q592 VanDerWaalsContact C-N 3.3Å; Q590-Q592 PolarHBondContact O-N 2.85Å; Q592-I594 VanDerWaalsContact C-N 3.3Å; Q592-I594 PolarHBondContact O-N 3.37Å; Q592-A595 WeakPolarHBondContact O-CB 3.5Å; Q592-A595 PolarHBondContact O-N 3.05Å; Q592-A595 VanDerWaalsContact O-N 3.11Å; Q592-I596 VanDerWaalsContact O-CG1 3.28Å; Q592-I596 WeakPolarHBondContact O-CG1 3.41Å; Q592-I596 PolarHBondContact O-N 3.21Å; Q592-A612 PolarHBondContact NE2-O 3.41Å; Q592-A612 PolarHBondContact OE1-O 3.22Å; Q592-V624 HydrophobicContact CB-CG1 4.48Å; Q592-V624 HydrophobicContact CB-CG2 4.14Å
593	R	92	Very high	85.3	Confident	13 Å²	13	29 Å²	29	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-37.6	176	-68.6	-167.1	-60.8	-96.4	3.1	112.5	A558 Y559 A560 F563 G589 Q590 I596 A597 V624	A558-R593 WeakPolarHBondContact CB-O 3.5Å; A558-R593 WeakPolarHBondContact O-CB 3.34Å; A558-R593 WeakPolarHBondContact O-CD 3.37Å; A558-R593 WeakPolarHBondContact O-CG 3.38Å; Y559-R593 VanDerWaalsContact O-CD 3.26Å; Y559-R593 WeakPolarHBondContact O-CD 3.46Å; Y559-R593 PolarHBondContact O-NE 3.28Å; Y559-R593 VanDerWaalsContact O-NE 3.12Å; A560-R593 HydrophobicContact CB-CB 4.08Å; F563-R593 HydrophobicContact CE1-CB 4.36Å; G589-R593 WeakPolarHBondContact O-CG 3.34Å; G589-R593 PolarHBondContact O-N 3Å; Q590-R593 PolarHBondContact O-N 3.44Å; R593-I596 PolarHBondContact O-N 3.18Å; R593-A597 PolarHBondContact O-N 2.99Å; R593-V624 HydrophobicContact CG-CG2 3.71Å
594	I	92.8	Very high	87.3	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-42	173	-67.1	166.8	0	0	0	111.3	I530 I535 N538 I539 F563 L586 Q590 R591 Q592 A597 R598	I530-I594 HydrophobicContact CD1-CB 4.24Å; I530-I594 HydrophobicContact CD1-CG2 3.84Å; I535-I594 HydrophobicContact CD1-CD1 4.35Å; I535-I594 HydrophobicContact CG1-CD1 4.3Å; I535-I594 HydrophobicContact CG2-CD1 4.11Å; I535-I594 HydrophobicContact CG2-CG1 4.28Å; N538-I594 HydrophobicContact CB-CG2 4.37Å; I539-I594 HydrophobicContact CG1-CG2 4.01Å; F563-I594 HydrophobicContact CZ-CD1 3.97Å; F563-I594 HydrophobicContact CZ-CG1 3.99Å; L586-I594 HydrophobicContact CD1-CD1 3.6Å; Q590-I594 WeakPolarHBondContact O-CG1 3.44Å; Q590-I594 PolarHBondContact O-N 3.38Å; R591-I594 PolarHBondContact O-N 3.09Å; Q592-I594 VanDerWaalsContact C-N 3.3Å; Q592-I594 PolarHBondContact O-N 3.37Å; I594-A597 WeakPolarHBondContact O-CB 3.39Å; I594-A597 PolarHBondContact O-N 3.01Å; I594-R598 PolarHBondContact O-N 3Å
595	A	92	Very high	88.9	Confident	7 Å²	7	23.3 Å²	23.3	6%	0.058	14%	0.144	C	C	.	.	H	α-helix	trans	-64.7	-38.9	176.2	0	0	0	0	0	112.3	P528 R591 Q592 R598 I599	P528-A595 HydrophobicContact CB-CB 3.53Å; P528-A595 HydrophobicContact CG-CB 3.8Å; R591-A595 PolarHBondContact O-N 3.46Å; Q592-A595 WeakPolarHBondContact O-CB 3.5Å; Q592-A595 PolarHBondContact O-N 3.05Å; Q592-A595 VanDerWaalsContact O-N 3.11Å; A595-R598 WeakPolarHBondContact O-CB 3.48Å; A595-R598 PolarHBondContact O-N 2.89Å; A595-I599 WeakPolarHBondContact O-CG1 3.42Å; A595-I599 PolarHBondContact O-N 3.49Å; A595-I599 VanDerWaalsContact O-N 3.09Å
596	I	92.4	Very high	90	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64	-43.5	174.3	-65.2	162.4	0	0	0	110.5	I524 A558 Q592 R593 R598 I599 L600 V624 A627 L628 A631	I524-I596 HydrophobicContact CD1-CG1 3.86Å; A558-I596 HydrophobicContact CB-CB 4.3Å; A558-I596 HydrophobicContact CB-CG2 4.13Å; Q592-I596 VanDerWaalsContact O-CG1 3.28Å; Q592-I596 WeakPolarHBondContact O-CG1 3.41Å; Q592-I596 PolarHBondContact O-N 3.21Å; R593-I596 PolarHBondContact O-N 3.18Å; I596-R598 VanDerWaalsContact C-N 3.31Å; I596-R598 PolarHBondContact O-N 3.43Å; I596-I599 PolarHBondContact O-N 2.92Å; I596-I599 VanDerWaalsContact O-N 3.13Å; I596-L600 HydrophobicContact CG2-CD1 3.91Å; I596-L600 HydrophobicContact CG2-CG 4.33Å; I596-L600 WeakPolarHBondContact O-CB 3.47Å; I596-L600 WeakPolarHBondContact O-CG 3.41Å; I596-L600 PolarHBondContact O-N 3.28Å; I596-V624 HydrophobicContact CD1-CG1 4.06Å; I596-A627 HydrophobicContact CB-CB 4.49Å; I596-A627 HydrophobicContact CD1-CB 3.74Å; I596-A627 HydrophobicContact CG2-CB 3.97Å; I596-L628 HydrophobicContact CD1-CD2 3.57Å; I596-L628 HydrophobicContact CD1-CG 3.8Å; I596-L628 HydrophobicContact CG1-CD2 3.75Å; I596-L628 HydrophobicContact CG1-CG 4.5Å; I596-A631 HydrophobicContact CG2-CB 4.1Å
597	A	94.1	Very high	90.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-57.8	-43.5	174.1	0	0	0	0	0	111.6	I539 A558 R593 I594 I599 L600 L601	I539-A597 HydrophobicContact CD1-CB 4.01Å; I539-A597 HydrophobicContact CG1-CB 4.1Å; I539-A597 HydrophobicContact CG2-CB 4.04Å; A558-A597 HydrophobicContact CB-CB 3.72Å; R593-A597 PolarHBondContact O-N 2.99Å; I594-A597 WeakPolarHBondContact O-CB 3.39Å; I594-A597 PolarHBondContact O-N 3.01Å; A597-I599 VanDerWaalsContact C-N 3.29Å; A597-I599 PolarHBondContact O-N 3.27Å; A597-L600 PolarHBondContact O-N 2.92Å; A597-L601 WeakPolarHBondContact O-CB 3.37Å; A597-L601 PolarHBondContact O-N 3.35Å
598	R	93.2	Very high	90.9	Very high	43 Å²	43	16.4 Å²	16.4	16%	0.162	8%	0.082	C	C	.	.	H	α-helix	trans	-56.6	-42.4	174.9	-172.3	-169.6	-67.5	164.6	0.6	111.8	N538 G542 I594 A595 I596 K602	N538-R598 PolarHBondContact O-NE 3.08Å; N538-R598 PolarHBondContact O-NH2 3.22Å; N538-R598 PolarHBondContact OD1-NH2 3.27Å; G542-R598 WeakPolarHBondContact CA-O 3.13Å; I594-R598 PolarHBondContact O-N 3Å; A595-R598 WeakPolarHBondContact O-CB 3.48Å; A595-R598 PolarHBondContact O-N 2.89Å; I596-R598 VanDerWaalsContact C-N 3.31Å; I596-R598 PolarHBondContact O-N 3.43Å; R598-K602 WeakPolarHBondContact O-CB 3.48Å; R598-K602 PolarHBondContact O-N 2.81Å; R598-K602 VanDerWaalsContact O-N 3.12Å
599	I	91.4	Very high	91.2	Very high	9 Å²	9	15.2 Å²	15.2	5%	0.046	7%	0.07	C	C	.	.	H	α-helix	trans	-75.8	-36.5	179.6	-63.5	-55.2	0	0	0	112.8	I524 A595 I596 A597 L601 K602 N603 L607	I524-I599 HydrophobicContact CD1-CG1 4.32Å; I524-I599 HydrophobicContact CG1-CB 4.48Å; I524-I599 HydrophobicContact CG1-CG1 3.75Å; A595-I599 WeakPolarHBondContact O-CG1 3.42Å; A595-I599 PolarHBondContact O-N 3.49Å; A595-I599 VanDerWaalsContact O-N 3.09Å; I596-I599 PolarHBondContact O-N 2.92Å; I596-I599 VanDerWaalsContact O-N 3.13Å; A597-I599 VanDerWaalsContact C-N 3.29Å; A597-I599 PolarHBondContact O-N 3.27Å; I599-L601 VanDerWaalsContact C-N 3.32Å; I599-L601 PolarHBondContact O-N 2.88Å; I599-K602 HydrophobicContact CD1-CD 4.4Å; I599-K602 PolarHBondContact O-N 3.02Å; I599-N603 PolarHBondContact O-N 3.16Å; I599-N603 VanDerWaalsContact O-N 3.08Å; I599-L607 HydrophobicContact CG2-CD1 3.53Å
600	L	91.2	Very high	91.4	Very high	15 Å²	15	15.5 Å²	15.5	8%	0.079	7%	0.071	C	C	.	.	H	α-helix	trans	-58.2	-46.4	172.3	-81	165.2	0	0	0	111	A554 L557 A558 I596 A597 K602 N603 A631 A634	A554-L600 HydrophobicContact CB-CB 4.35Å; L557-L600 HydrophobicContact CB-CD1 3.74Å; A558-L600 HydrophobicContact CB-CD1 4Å; I596-L600 HydrophobicContact CG2-CD1 3.91Å; I596-L600 HydrophobicContact CG2-CG 4.33Å; I596-L600 WeakPolarHBondContact O-CB 3.47Å; I596-L600 WeakPolarHBondContact O-CG 3.41Å; I596-L600 PolarHBondContact O-N 3.28Å; A597-L600 PolarHBondContact O-N 2.92Å; L600-K602 VanDerWaalsContact C-N 3.35Å; L600-K602 PolarHBondContact O-N 2.82Å; L600-N603 PolarHBondContact O-N 2.87Å; L600-A631 HydrophobicContact CD2-CB 3.92Å; L600-A631 HydrophobicContact CG-CB 4.09Å; L600-A634 HydrophobicContact CD2-CB 4.01Å
601	L	92.2	Very high	90.9	Very high	12 Å²	12	15.7 Å²	15.7	6%	0.063	7%	0.072	C	C	.	.	H	α-helix	trans	-64.8	-38.3	178	-170.3	66.1	0	0	0	112.6	I539 R543 A546 E550 V551 A554 A597 I599 N603	I539-L601 HydrophobicContact CG2-CD2 4.09Å; I539-L601 WeakPolarHBondContact O-CD2 3.44Å; R543-L601 HydrophobicContact CB-CG 4.19Å; A546-L601 HydrophobicContact CB-CD1 3.8Å; A546-L601 HydrophobicContact CB-CD2 3.7Å; A546-L601 HydrophobicContact CB-CG 4.01Å; E550-L601 HydrophobicContact CB-CD1 3.89Å; V551-L601 HydrophobicContact CG2-CD2 3.89Å; A554-L601 HydrophobicContact CB-CB 3.96Å; A554-L601 HydrophobicContact CB-CD1 4.26Å; A597-L601 WeakPolarHBondContact O-CB 3.37Å; A597-L601 PolarHBondContact O-N 3.35Å; I599-L601 VanDerWaalsContact C-N 3.32Å; I599-L601 PolarHBondContact O-N 2.88Å; L601-N603 VanDerWaalsContact C-N 3.27Å; L601-N603 PolarHBondContact O-N 3.28Å
602	K	91.1	Very high	89.8	Confident	46 Å²	46	12.4 Å²	12.4	20%	0.2	6%	0.061	C	C	.	.	H	α-helix	trans	-63.7	-31.8	175.6	-174.1	178.4	-172.8	177.7	0	113	R517 S518 I521 G542 R598 I599 L600 A604	R517-K602 WeakPolarHBondContact O-CE 3.28Å; R517-K602 PolarHBondContact O-NZ 3.41Å; S518-K602 WeakPolarHBondContact O-CE 3.32Å; I521-K602 WeakPolarHBondContact O-CE 3.45Å; I521-K602 PolarHBondContact O-NZ 2.84Å; G542-K602 WeakPolarHBondContact O-CA 3.48Å; G542-K602 WeakPolarHBondContact O-CB 3.36Å; G542-K602 WeakPolarHBondContact O-CG 3.46Å; R598-K602 WeakPolarHBondContact O-CB 3.48Å; R598-K602 PolarHBondContact O-N 2.81Å; R598-K602 VanDerWaalsContact O-N 3.12Å; I599-K602 HydrophobicContact CD1-CD 4.4Å; I599-K602 PolarHBondContact O-N 3.02Å; L600-K602 VanDerWaalsContact C-N 3.35Å; L600-K602 PolarHBondContact O-N 2.82Å; K602-A604 HydrophobicContact CD-CB 4.46Å; K602-A604 HydrophobicContact CG-CB 4.48Å; K602-A604 PolarHBondContact O-N 3.44Å
603	N	87.5	Confident	88.9	Confident	33 Å²	33	12.6 Å²	12.6	18%	0.176	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	49	179	-176.8	38.6	0	0	0	114	I599 L600 L601 K635 V636 Q637 R647	I599-N603 PolarHBondContact O-N 3.16Å; I599-N603 VanDerWaalsContact O-N 3.08Å; L600-N603 PolarHBondContact O-N 2.87Å; L601-N603 VanDerWaalsContact C-N 3.27Å; L601-N603 PolarHBondContact O-N 3.28Å; N603-K635 PolarHBondContact OD1-O 2.77Å; N603-V636 WeakPolarHBondContact OD1-CA 3.06Å; N603-Q637 PolarHBondContact ND2-N 3.41Å; N603-Q637 PolarHBondContact ND2-O 2.97Å; N603-R647 PolarHBondContact OD1-NH2 3.05Å
604	A	89.4	Confident	87.7	Confident	2 Å²	2	14.2 Å²	14.2	2%	0.017	8%	0.076	C	C	.	.			trans	-77.6	139.5	-178.4	0	0	0	0	0	113.1	G522 K602	G522-A604 VanDerWaalsContact N-CB 3.29Å; K602-A604 HydrophobicContact CD-CB 4.46Å; K602-A604 HydrophobicContact CG-CB 4.48Å; K602-A604 PolarHBondContact O-N 3.44Å
605	P	89.7	Confident	86.5	Confident	12 Å²	12	18.5 Å²	18.5	8%	0.078	11%	0.111	C	C	.	.	S	Bend	trans	-73.6	-24.3	177.6	28.4	-35.6	0	0	0	114.7	P440 K519 L520 V636 M644 R647 T648	P440-P605 HydrophobicContact CG-CB 4.05Å; P440-P605 HydrophobicContact CG-CG 4.5Å; K519-P605 VanDerWaalsContact O-CD 3.32Å; K519-P605 WeakPolarHBondContact O-CD 3.45Å; L520-P605 HydrophobicContact CD2-CG 3.98Å; L520-P605 WeakPolarHBondContact O-CD 3.39Å; L520-P605 WeakPolarHBondContact O-CG 3.43Å; P605-V636 HydrophobicContact CB-CG1 4.29Å; P605-V636 HydrophobicContact CB-CG2 4.42Å; P605-M644 HydrophobicContact CB-SD 4.26Å; P605-R647 WeakPolarHBondContact O-CA 3.33Å; P605-T648 PolarHBondContact O-N 3.07Å
606	I	92.4	Very high	85.6	Confident	3 Å²	3	19 Å²	19	2%	0.015	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.5	173.8	-57	163.2	0	0	0	107.7	P440 I442 L503 L520 I521 G522 L608 T648	P440-I606 HydrophobicContact CB-CD1 4.35Å; P440-I606 HydrophobicContact CB-CG1 4.26Å; P440-I606 HydrophobicContact CG-CD1 4.02Å; P440-I606 HydrophobicContact CG-CG1 3.46Å; P440-I606 VanDerWaalsContact CG-CG1 3.46Å; I442-I606 HydrophobicContact CD1-CD1 4.18Å; I442-I606 HydrophobicContact CD1-CG1 4.44Å; I442-I606 HydrophobicContact CD1-CG2 3.9Å; L503-I606 HydrophobicContact CD1-CD1 3.76Å; L520-I606 WeakPolarHBondContact O-CB 3.35Å; L520-I606 PolarHBondContact O-N 3.41Å; I521-I606 CarbonylContact C-O 3.59Å; I521-I606 HydrophobicContact CG1-CB 4.33Å; I521-I606 HydrophobicContact CG1-CD1 4.2Å; I521-I606 HydrophobicContact CG1-CG2 4.45Å; G522-I606 PolarHBondContact N-O 3.37Å; I606-L608 HydrophobicContact CG2-CD2 3.85Å; I606-L608 HydrophobicContact CG2-CG 4.29Å; I606-T648 CarbonylContact C-O 3.36Å; I606-T648 WeakPolarHBondContact CA-O 3.19Å
607	L	92.6	Very high	84.8	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.1	179	-179.5	61.2	0	0	0	110	G522 I524 I599 M609 A631 M632 T648 V649 L650	G522-L607 CarbonylContact O-C 3.59Å; G522-L607 WeakPolarHBondContact O-CA 3.48Å; I524-L607 HydrophobicContact CD1-CD1 4.24Å; I599-L607 HydrophobicContact CG2-CD1 3.53Å; L607-M609 HydrophobicContact CD1-CG 4.28Å; L607-M609 HydrophobicContact CD2-CE 4.32Å; L607-M609 HydrophobicContact CD2-CG 4.42Å; L607-M609 HydrophobicContact CD2-SD 3.83Å; L607-M609 HydrophobicContact CG-CG 3.98Å; L607-M609 HydrophobicContact CG-SD 4.06Å; L607-A631 HydrophobicContact CD2-CB 4.33Å; L607-M632 HydrophobicContact CD2-CG 4.22Å; L607-T648 PolarHBondContact N-O 2.89Å; L607-V649 HydrophobicContact CB-CG1 4.31Å; L607-V649 HydrophobicContact CB-CG2 4.21Å; L607-V649 HydrophobicContact CD2-CG1 4.22Å; L607-V649 HydrophobicContact CD2-CG2 4.42Å; L607-V649 HydrophobicContact CG-CG1 4.34Å; L607-V649 CarbonylContact O-C 3.55Å; L607-V649 WeakPolarHBondContact O-CA 3.38Å; L607-L650 PolarHBondContact O-N 2.92Å
608	L	94.1	Very high	84.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.3	177.3	-51	-178.3	0	0	0	108.8	V487 L490 E491 I521 G522 Y523 I524 I606 L650	V487-L608 HydrophobicContact CG1-CB 4.34Å; V487-L608 HydrophobicContact CG1-CD1 4Å; L490-L608 HydrophobicContact CB-CD1 3.87Å; L490-L608 HydrophobicContact CD1-CD1 4.18Å; L490-L608 HydrophobicContact CD1-CD2 3.77Å; E491-L608 HydrophobicContact CG-CD1 4.16Å; I521-L608 HydrophobicContact CG2-CD1 3.6Å; I521-L608 HydrophobicContact CG2-CG 3.96Å; G522-L608 PolarHBondContact O-N 2.82Å; Y523-L608 CarbonylContact C-O 3.56Å; Y523-L608 WeakPolarHBondContact CA-O 3.44Å; Y523-L608 HydrophobicContact CD2-CB 3.97Å; I524-L608 PolarHBondContact N-O 3.41Å; I606-L608 HydrophobicContact CG2-CD2 3.85Å; I606-L608 HydrophobicContact CG2-CG 4.29Å; L608-L650 WeakPolarHBondContact CA-O 3.45Å; L608-L650 HydrophobicContact CD2-CB 3.73Å; L608-L650 HydrophobicContact CD2-CD2 4.09Å; L608-L650 HydrophobicContact CD2-CG 4.5Å
609	M	90.5	Very high	83.4	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	118.5	-177.9	-59.1	-177.2	-64.2	0	0	109.7	I524 L607 L628 M632 V649 L650 I651 I652	I524-M609 HydrophobicContact CB-CG 4.33Å; I524-M609 HydrophobicContact CD1-CG 4.14Å; I524-M609 HydrophobicContact CD1-SD 4.28Å; L607-M609 HydrophobicContact CD1-CG 4.28Å; L607-M609 HydrophobicContact CD2-CE 4.32Å; L607-M609 HydrophobicContact CD2-CG 4.42Å; L607-M609 HydrophobicContact CD2-SD 3.83Å; L607-M609 HydrophobicContact CG-CG 3.98Å; L607-M609 HydrophobicContact CG-SD 4.06Å; M609-L628 HydrophobicContact SD-CD2 3.57Å; M609-L628 VanDerWaalsContact SD-CD2 3.57Å; M609-L628 HydrophobicContact SD-CG 4.47Å; M609-M632 HydrophobicContact CE-CE 4.2Å; M609-M632 HydrophobicContact CE-CG 4.21Å; M609-M632 HydrophobicContact CE-SD 4.08Å; M609-V649 HydrophobicContact CE-CG1 3.38Å; M609-L650 PolarHBondContact N-O 3.3Å; M609-I651 HydrophobicContact CB-CG2 4.49Å; M609-I651 HydrophobicContact CE-CB 4.27Å; M609-I651 HydrophobicContact CE-CD1 3.42Å; M609-I651 VanDerWaalsContact CE-CD1 3.42Å; M609-I651 HydrophobicContact CE-CG1 3.37Å; M609-I651 HydrophobicContact CE-CG2 4.23Å; M609-I652 PolarHBondContact O-N 2.84Å
610	D	90.3	Very high	82.8	Confident	7 Å²	7	33.1 Å²	33.1	4%	0.037	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	106.5	179.6	-162.3	4.5	0	0	0	110.9	S484 Y523 I524 S525 Q526 A612 I652	S484-D610 WeakPolarHBondContact CB-OD2 3.49Å; S484-D610 PolarHBondContact OG-OD2 3Å; Y523-D610 HydrophobicContact CE2-CB 3.92Å; I524-D610 PolarHBondContact O-N 3.47Å; S525-D610 CarbonylContact C-O 3.57Å; Q526-D610 WeakPolarHBondContact CA-O 3.32Å; Q526-D610 WeakPolarHBondContact CB-O 3.45Å; Q526-D610 PolarHBondContact N-O 3.41Å; D610-A612 PolarHBondContact O-N 2.78Å; D610-I652 HydrophobicContact CB-CD1 4.28Å; D610-I652 WeakPolarHBondContact OD1-CD1 3.42Å
611	E	79.8	Confident	82.4	Confident	39 Å²	39	33.8 Å²	33.8	18%	0.182	20%	0.196	C	C	.	.	S	Bend	trans	47.5	36.3	171.4	-63.6	-171.1	-178.4	0	0	115.7	Q526 T613 S614 I652	Q526-E611 HydrophobicContact CB-CB 4.32Å; Q526-E611 HydrophobicContact CG-CB 4Å; Q526-E611 PolarHBondContact NE2-OE2 3.11Å; E611-T613 PolarHBondContact O-N 3.05Å; E611-S614 PolarHBondContact O-N 3.19Å; E611-S614 PolarHBondContact O-OG 3.06Å; E611-I652 WeakPolarHBondContact CA-O 3.37Å; E611-I652 HydrophobicContact CG-CG2 4.01Å; E611-I652 PolarHBondContact N-O 2.8Å
612	A	66.1	Low	82.1	Confident	8 Å²	8	35.7 Å²	35.7	7%	0.066	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	2	-168.1	0	0	0	0	0	116.3	I524 Q592 D610 L628	I524-A612 HydrophobicContact CG2-CB 4.18Å; Q592-A612 PolarHBondContact NE2-O 3.41Å; Q592-A612 PolarHBondContact OE1-O 3.22Å; D610-A612 PolarHBondContact O-N 2.78Å; A612-L628 HydrophobicContact CB-CD1 4.21Å
613	T	71.8	Confident	81.9	Confident	12 Å²	12	37.3 Å²	37.3	7%	0.074	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-3	-178	55.9	0	0	0	0	114.4	E611 A615 E621 V624 L628 R655	E611-T613 PolarHBondContact O-N 3.05Å; T613-A615 VanDerWaalsContact C-N 3.34Å; T613-A615 PolarHBondContact O-N 2.71Å; T613-E621 HydrophobicContact CG2-CG 4.49Å; T613-V624 HydrophobicContact CG2-CG1 4.1Å; T613-L628 HydrophobicContact CG2-CD1 4.09Å; T613-R655 PolarHBondContact O-NE 2.98Å; T613-R655 PolarHBondContact O-NH2 3.21Å
614	S	66.9	Low	81.8	Confident	46 Å²	46	35.8 Å²	35.8	32%	0.322	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-30.7	-166.9	55	0	0	0	0	114.2	E611 R655	E611-S614 PolarHBondContact O-N 3.19Å; E611-S614 PolarHBondContact O-OG 3.06Å; S614-R655 PolarHBondContact O-NH2 3.07Å
615	A	68.7	Low	81.6	Confident	90 Å²	90	36.6 Å²	36.6	74%	0.744	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.4	19.9	-172.8	0	0	0	0	0	115.8	T613	T613-A615 VanDerWaalsContact C-N 3.34Å; T613-A615 PolarHBondContact O-N 2.71Å
616	L	71.2	Confident	81.5	Confident	19 Å²	19	39.5 Å²	39.5	10%	0.099	23%	0.231	C	C	.	.			trans	-106.7	149.4	-175.9	-61.7	-171.8	0	0	0	114.2	E621 V624	L616-E621 HydrophobicContact CB-CB 4.14Å; L616-V624 HydrophobicContact CD1-CB 3.83Å; L616-V624 HydrophobicContact CD1-CG1 4.17Å; L616-V624 HydrophobicContact CD1-CG2 3.6Å
617	D	77.1	Confident	81.2	Confident	87 Å²	87	39.3 Å²	39.3	47%	0.465	23%	0.23	S	C	.	.			trans	-64.7	155	162.9	64	-80.6	0	0	0	111.2	E619 S620 E621	D617-E619 VanDerWaalsContact C-N 3.28Å; D617-E619 PolarHBondContact O-N 3.21Å; D617-E619 PolarHBondContact OD2-N 3.21Å; D617-S620 PolarHBondContact O-N 2.69Å; D617-S620 WeakPolarHBondContact OD1-CB 3.16Å; D617-S620 PolarHBondContact OD1-OG 2.88Å; D617-S620 WeakPolarHBondContact OD2-CB 3.19Å; D617-S620 PolarHBondContact OD2-N 3.38Å; D617-S620 PolarHBondContact OD2-OG 2.84Å; D617-E621 VanDerWaalsContact O-CB 3.3Å; D617-E621 WeakPolarHBondContact O-CB 2.98Å; D617-E621 PolarHBondContact O-N 3.24Å
618	T	78.5	Confident	80.9	Confident	118 Å²	118	39.6 Å²	39.6	72%	0.724	23%	0.231	S	C	*	.	H	α-helix	trans	-57.3	-35.7	-171.8	-41.9	0	0	0	0	113.6	A622	T618-A622 PolarHBondContact O-N 3.35Å; T618-A622 VanDerWaalsContact O-N 3.1Å
619	E	78.4	Confident	80.5	Confident	127 Å²	127	41.1 Å²	41.1	59%	0.593	24%	0.239	S	C	*	.	H	α-helix	trans	-73.6	-48.1	179.5	-165.1	-159.4	142.6	0	0	111.3	D617 E621 A622 K623	D617-E619 VanDerWaalsContact C-N 3.28Å; D617-E619 PolarHBondContact O-N 3.21Å; D617-E619 PolarHBondContact OD2-N 3.21Å; E619-E621 VanDerWaalsContact C-N 3.27Å; E619-E621 PolarHBondContact O-N 3.35Å; E619-A622 PolarHBondContact O-N 3.41Å; E619-K623 PolarHBondContact O-N 2.97Å; E619-K623 IonicContact OE1-NZ 2.8Å; E619-K623 PolarHBondContact OE1-NZ 2.93Å
620	S	79.8	Confident	80.3	Confident	16 Å²	16	43.4 Å²	43.4	11%	0.112	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-38.7	174.3	-68.3	0	0	0	0	111.8	D617 K623 V624	D617-S620 PolarHBondContact O-N 2.69Å; D617-S620 WeakPolarHBondContact OD1-CB 3.16Å; D617-S620 PolarHBondContact OD1-OG 2.88Å; D617-S620 WeakPolarHBondContact OD2-CB 3.19Å; D617-S620 PolarHBondContact OD2-N 3.38Å; D617-S620 PolarHBondContact OD2-OG 2.84Å; S620-K623 PolarHBondContact O-N 3.22Å; S620-V624 WeakPolarHBondContact O-CB 3.34Å; S620-V624 WeakPolarHBondContact O-CG2 2.97Å; S620-V624 PolarHBondContact O-N 2.69Å
621	E	82.7	Confident	80	Confident	29 Å²	29	43 Å²	43	14%	0.136	25%	0.25	C	C	.	.	H	α-helix	trans	-61.4	-47.6	176.7	-178.4	-174.2	-174.2	0	0	111.4	T613 L616 D617 E619 K623 V624 Q625 R655	T613-E621 HydrophobicContact CG2-CG 4.49Å; L616-E621 HydrophobicContact CB-CB 4.14Å; D617-E621 VanDerWaalsContact O-CB 3.3Å; D617-E621 WeakPolarHBondContact O-CB 2.98Å; D617-E621 PolarHBondContact O-N 3.24Å; E619-E621 VanDerWaalsContact C-N 3.27Å; E619-E621 PolarHBondContact O-N 3.35Å; E621-K623 VanDerWaalsContact C-N 3.31Å; E621-K623 PolarHBondContact O-N 3.12Å; E621-V624 PolarHBondContact O-N 3.42Å; E621-Q625 VanDerWaalsContact O-CB 3.32Å; E621-Q625 WeakPolarHBondContact O-CB 3.2Å; E621-Q625 PolarHBondContact O-N 3.24Å; E621-R655 WeakPolarHBondContact OE1-CD 3.39Å; E621-R655 IonicContact OE1-CZ 3.51Å; E621-R655 IonicContact OE1-NE 3.83Å; E621-R655 IonicContact OE1-NH1 2.69Å; E621-R655 PolarHBondContact OE1-NH1 3.3Å; E621-R655 IonicContact OE2-CZ 3.68Å; E621-R655 IonicContact OE2-NH1 2.62Å; E621-R655 PolarHBondContact OE2-NH1 3.4Å
622	A	85.5	Confident	80.2	Confident	52 Å²	52	42.6 Å²	42.6	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-58.7	-44.2	178.9	0	0	0	0	0	111.5	T618 E619 Q625 N626	T618-A622 PolarHBondContact O-N 3.35Å; T618-A622 VanDerWaalsContact O-N 3.1Å; E619-A622 PolarHBondContact O-N 3.41Å; A622-Q625 PolarHBondContact O-N 3.37Å; A622-N626 WeakPolarHBondContact O-CB 3.42Å; A622-N626 PolarHBondContact O-N 2.93Å; A622-N626 PolarHBondContact O-ND2 2.96Å
623	K	86.4	Confident	81	Confident	80 Å²	80	50.5 Å²	50.5	35%	0.348	28%	0.281	S	S	.	.	H	α-helix	trans	-62.5	-44.7	175.4	-72.4	171.8	174.2	163.3	0	111.9	E619 S620 E621 N626 A627	E619-K623 PolarHBondContact O-N 2.97Å; E619-K623 IonicContact OE1-NZ 2.8Å; E619-K623 PolarHBondContact OE1-NZ 2.93Å; S620-K623 PolarHBondContact O-N 3.22Å; E621-K623 VanDerWaalsContact C-N 3.31Å; E621-K623 PolarHBondContact O-N 3.12Å; K623-N626 PolarHBondContact O-N 3.34Å; K623-A627 WeakPolarHBondContact O-CB 3.03Å; K623-A627 PolarHBondContact O-N 3.36Å
624	V	85.5	Confident	81.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.9	-44.8	177.8	166.3	0	0	0	0	111.3	Q592 R593 I596 T613 L616 S620 E621 N626 A627 L628	Q592-V624 HydrophobicContact CB-CG1 4.48Å; Q592-V624 HydrophobicContact CB-CG2 4.14Å; R593-V624 HydrophobicContact CG-CG2 3.71Å; I596-V624 HydrophobicContact CD1-CG1 4.06Å; T613-V624 HydrophobicContact CG2-CG1 4.1Å; L616-V624 HydrophobicContact CD1-CB 3.83Å; L616-V624 HydrophobicContact CD1-CG1 4.17Å; L616-V624 HydrophobicContact CD1-CG2 3.6Å; S620-V624 WeakPolarHBondContact O-CB 3.34Å; S620-V624 WeakPolarHBondContact O-CG2 2.97Å; S620-V624 PolarHBondContact O-N 2.69Å; E621-V624 PolarHBondContact O-N 3.42Å; V624-N626 VanDerWaalsContact C-N 3.29Å; V624-N626 PolarHBondContact O-N 3.24Å; V624-A627 WeakPolarHBondContact O-CB 3.44Å; V624-A627 PolarHBondContact O-N 3.28Å; V624-A627 VanDerWaalsContact O-N 3.15Å; V624-L628 HydrophobicContact CG1-CD1 4.01Å; V624-L628 HydrophobicContact CG1-CG 4.27Å; V624-L628 VanDerWaalsContact O-CG 3.26Å; V624-L628 WeakPolarHBondContact O-CG 3.36Å; V624-L628 PolarHBondContact O-N 3.49Å
625	Q	84.9	Confident	81.5	Confident	19 Å²	19	56.5 Å²	56.5	9%	0.089	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-38.7	177.1	-173	62.5	61.7	0	0	111.5	E621 A622 L628 N629 T658	E621-Q625 VanDerWaalsContact O-CB 3.32Å; E621-Q625 WeakPolarHBondContact O-CB 3.2Å; E621-Q625 PolarHBondContact O-N 3.24Å; A622-Q625 PolarHBondContact O-N 3.37Å; Q625-L628 PolarHBondContact O-N 2.75Å; Q625-N629 PolarHBondContact NE2-OD1 3.28Å; Q625-N629 WeakPolarHBondContact O-CB 3.46Å; Q625-N629 PolarHBondContact O-N 3.42Å; Q625-N629 PolarHBondContact O-ND2 2.9Å; Q625-N629 VanDerWaalsContact O-ND2 3.14Å; Q625-N629 PolarHBondContact O-OD1 2.74Å; Q625-T658 PolarHBondContact OE1-OG1 2.99Å
626	N	87.7	Confident	81.6	Confident	73 Å²	73	52.2 Å²	52.2	39%	0.39	27%	0.27	S	S	.	.	H	α-helix	trans	-66.3	-42.3	173.8	-72.7	-20.5	0	0	0	112.1	Y559 A622 K623 V624 L628 N629 N630	Y559-N626 HydrophobicContact CD2-CB 4.21Å; Y559-N626 HydrophobicContact CE2-CB 3.58Å; A622-N626 WeakPolarHBondContact O-CB 3.42Å; A622-N626 PolarHBondContact O-N 2.93Å; A622-N626 PolarHBondContact O-ND2 2.96Å; K623-N626 PolarHBondContact O-N 3.34Å; V624-N626 VanDerWaalsContact C-N 3.29Å; V624-N626 PolarHBondContact O-N 3.24Å; N626-L628 VanDerWaalsContact C-N 3.35Å; N626-L628 PolarHBondContact O-N 3.18Å; N626-N629 WeakPolarHBondContact O-CB 3.37Å; N626-N629 PolarHBondContact O-N 3.15Å; N626-N630 PolarHBondContact O-N 3.36Å
627	A	86.6	Confident	81.3	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-42.9	173.5	0	0	0	0	0	111.9	A558 Y559 I596 K623 V624 N630 A631	A558-A627 HydrophobicContact CB-CB 4.48Å; A558-A627 WeakPolarHBondContact O-CB 3.32Å; Y559-A627 HydrophobicContact CD2-CB 4.1Å; I596-A627 HydrophobicContact CB-CB 4.49Å; I596-A627 HydrophobicContact CD1-CB 3.74Å; I596-A627 HydrophobicContact CG2-CB 3.97Å; K623-A627 WeakPolarHBondContact O-CB 3.03Å; K623-A627 PolarHBondContact O-N 3.36Å; V624-A627 WeakPolarHBondContact O-CB 3.44Å; V624-A627 PolarHBondContact O-N 3.28Å; V624-A627 VanDerWaalsContact O-N 3.15Å; A627-N630 WeakPolarHBondContact O-CB 3.42Å; A627-N630 PolarHBondContact O-N 2.89Å; A627-A631 PolarHBondContact O-N 3.14Å
628	L	85.6	Confident	80.3	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-42.6	174.5	-65.7	172.2	0	0	0	111	I524 I596 M609 A612 T613 V624 Q625 N626 N630 A631 M632	I524-L628 HydrophobicContact CD1-CD2 3.84Å; I596-L628 HydrophobicContact CD1-CD2 3.57Å; I596-L628 HydrophobicContact CD1-CG 3.8Å; I596-L628 HydrophobicContact CG1-CD2 3.75Å; I596-L628 HydrophobicContact CG1-CG 4.5Å; M609-L628 HydrophobicContact SD-CD2 3.57Å; M609-L628 VanDerWaalsContact SD-CD2 3.57Å; M609-L628 HydrophobicContact SD-CG 4.47Å; A612-L628 HydrophobicContact CB-CD1 4.21Å; T613-L628 HydrophobicContact CG2-CD1 4.09Å; V624-L628 HydrophobicContact CG1-CD1 4.01Å; V624-L628 HydrophobicContact CG1-CG 4.27Å; V624-L628 VanDerWaalsContact O-CG 3.26Å; V624-L628 WeakPolarHBondContact O-CG 3.36Å; V624-L628 PolarHBondContact O-N 3.49Å; Q625-L628 PolarHBondContact O-N 2.75Å; N626-L628 VanDerWaalsContact C-N 3.35Å; N626-L628 PolarHBondContact O-N 3.18Å; L628-N630 VanDerWaalsContact C-N 3.3Å; L628-N630 PolarHBondContact O-N 3.21Å; L628-A631 PolarHBondContact O-N 3.37Å; L628-A631 VanDerWaalsContact O-N 3.16Å; L628-M632 HydrophobicContact CB-CE 3.93Å; L628-M632 WeakPolarHBondContact O-CE 3.35Å; L628-M632 VanDerWaalsContact O-CG 3.28Å; L628-M632 WeakPolarHBondContact O-CG 3.09Å; L628-M632 PolarHBondContact O-N 2.86Å
629	N	86.8	Confident	79.2	Confident	32 Å²	32	54.2 Å²	54.2	17%	0.171	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-40.1	175.5	-64.7	-23	0	0	0	111.7	Q625 N626 M632 K633	Q625-N629 PolarHBondContact NE2-OD1 3.28Å; Q625-N629 WeakPolarHBondContact O-CB 3.46Å; Q625-N629 PolarHBondContact O-N 3.42Å; Q625-N629 PolarHBondContact O-ND2 2.9Å; Q625-N629 VanDerWaalsContact O-ND2 3.14Å; Q625-N629 PolarHBondContact O-OD1 2.74Å; N626-N629 WeakPolarHBondContact O-CB 3.37Å; N626-N629 PolarHBondContact O-N 3.15Å; N629-M632 PolarHBondContact O-N 3.32Å; N629-M632 WeakPolarHBondContact OD1-CE 3.4Å; N629-K633 WeakPolarHBondContact O-CB 3.49Å; N629-K633 WeakPolarHBondContact O-CG 3.39Å; N629-K633 PolarHBondContact O-N 3.48Å
630	N	85.8	Confident	77.8	Confident	51 Å²	51	53.5 Å²	53.5	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-63.5	-44.1	173.8	-72.9	-10.7	0	0	0	111.1	L557 Y559 N626 A627 L628 M632 K633 A634	L557-N630 PolarHBondContact O-ND2 3.18Å; Y559-N630 WeakPolarHBondContact CE2-ND2 3.47Å; N626-N630 PolarHBondContact O-N 3.36Å; A627-N630 WeakPolarHBondContact O-CB 3.42Å; A627-N630 PolarHBondContact O-N 2.89Å; L628-N630 VanDerWaalsContact C-N 3.3Å; L628-N630 PolarHBondContact O-N 3.21Å; N630-M632 VanDerWaalsContact C-N 3.33Å; N630-M632 PolarHBondContact O-N 2.92Å; N630-K633 PolarHBondContact O-N 2.81Å; N630-A634 WeakPolarHBondContact O-CB 3.46Å; N630-A634 PolarHBondContact O-N 2.84Å
631	A	83.8	Confident	76.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.8	-35.1	176.4	0	0	0	0	0	113.5	I596 L600 L607 A627 L628 R647	I596-A631 HydrophobicContact CG2-CB 4.1Å; L600-A631 HydrophobicContact CD2-CB 3.92Å; L600-A631 HydrophobicContact CG-CB 4.09Å; L607-A631 HydrophobicContact CD2-CB 4.33Å; A627-A631 PolarHBondContact O-N 3.14Å; L628-A631 PolarHBondContact O-N 3.37Å; L628-A631 VanDerWaalsContact O-N 3.16Å; A631-R647 PolarHBondContact O-NH1 2.98Å
632	M	83.7	Confident	75.2	Confident	29 Å²	29	61.7 Å²	61.7	14%	0.143	33%	0.33	C	S	.	.	H	α-helix	trans	-69.4	-39.2	174.7	-70.7	-175.9	-104.4	0	0	112.2	V472 L607 M609 L628 N629 N630 V649 I651	V472-M632 HydrophobicContact CG1-SD 4.2Å; V472-M632 HydrophobicContact CG2-SD 4.33Å; L607-M632 HydrophobicContact CD2-CG 4.22Å; M609-M632 HydrophobicContact CE-CE 4.2Å; M609-M632 HydrophobicContact CE-CG 4.21Å; M609-M632 HydrophobicContact CE-SD 4.08Å; L628-M632 HydrophobicContact CB-CE 3.93Å; L628-M632 WeakPolarHBondContact O-CE 3.35Å; L628-M632 VanDerWaalsContact O-CG 3.28Å; L628-M632 WeakPolarHBondContact O-CG 3.09Å; L628-M632 PolarHBondContact O-N 2.86Å; N629-M632 PolarHBondContact O-N 3.32Å; N629-M632 WeakPolarHBondContact OD1-CE 3.4Å; N630-M632 VanDerWaalsContact C-N 3.33Å; N630-M632 PolarHBondContact O-N 2.92Å; M632-V649 HydrophobicContact CB-CG2 4.45Å; M632-V649 HydrophobicContact CG-CG1 4Å; M632-V649 HydrophobicContact CG-CG2 4.12Å; M632-V649 HydrophobicContact SD-CG1 4.17Å; M632-I651 HydrophobicContact CE-CD1 4.34Å; M632-I651 HydrophobicContact SD-CD1 3.93Å
633	K	83.1	Confident	73.8	Confident	174 Å²	174	62 Å²	62	76%	0.757	33%	0.333	S	S	*	.	H	α-helix	trans	-85.5	-16.5	-177.7	-70	179.5	179.2	-177.1	0	114.4	N629 N630 K635	N629-K633 WeakPolarHBondContact O-CB 3.49Å; N629-K633 WeakPolarHBondContact O-CG 3.39Å; N629-K633 PolarHBondContact O-N 3.48Å; N630-K633 PolarHBondContact O-N 2.81Å; K633-K635 PolarHBondContact O-N 3.32Å
634	A	78.2	Confident	72.7	Confident	25 Å²	25	58.9 Å²	58.9	21%	0.207	32%	0.32	C	S	.	.	S	Bend	trans	-56.4	127.9	-178.3	0	0	0	0	0	110.9	L600 N630 V636 R647	L600-A634 HydrophobicContact CD2-CB 4.01Å; N630-A634 WeakPolarHBondContact O-CB 3.46Å; N630-A634 PolarHBondContact O-N 2.84Å; A634-V636 PolarHBondContact O-N 2.87Å; A634-R647 PolarHBondContact O-NE 3.07Å
635	K	72.5	Confident	71.8	Confident	159 Å²	159	68 Å²	68	69%	0.691	36%	0.36	S	S	*	.			trans	-65.1	131.4	177.9	-71.1	-178.2	178.6	178.7	0	109.5	N603 K633 Q637 A643	N603-K635 PolarHBondContact OD1-O 2.77Å; K633-K635 PolarHBondContact O-N 3.32Å; K635-Q637 PolarHBondContact O-N 2.79Å; K635-A643 HydrophobicContact CB-CB 4.47Å; K635-A643 HydrophobicContact CD-CB 4.18Å
636	V	69.3	Low	71.3	Confident	1 Å²	1	68.5 Å²	68.5	1%	0.006	37%	0.37	C	S	.	.			trans	-79.5	111.3	171.2	-175.4	0	0	0	0	108.8	N603 P605 A634 A643 M644 R647	N603-V636 WeakPolarHBondContact OD1-CA 3.06Å; P605-V636 HydrophobicContact CB-CG1 4.29Å; P605-V636 HydrophobicContact CB-CG2 4.42Å; A634-V636 PolarHBondContact O-N 2.87Å; V636-A643 WeakPolarHBondContact O-CA 3.43Å; V636-M644 HydrophobicContact CB-CB 4.14Å; V636-M644 HydrophobicContact CB-CG 4.15Å; V636-M644 HydrophobicContact CB-SD 4.18Å; V636-M644 HydrophobicContact CG1-CG 4.32Å; V636-M644 HydrophobicContact CG1-SD 3.95Å; V636-M644 PolarHBondContact O-N 2.87Å; V636-R647 HydrophobicContact CG2-CG 3.29Å
637	Q	65.4	Low	71.3	Confident	124 Å²	124	65.4 Å²	65.4	58%	0.579	35%	0.352	S	S	*	.	B	Isolated β-bridge	trans	-83.1	127.5	165.9	-65.2	176.8	-14.2	0	0	109.8	N603 K635	N603-Q637 PolarHBondContact ND2-N 3.41Å; N603-Q637 PolarHBondContact ND2-O 2.97Å; K635-Q637 PolarHBondContact O-N 2.79Å
638	N	56.7	Low	71.5	Confident	34 Å²	34	65.5 Å²	65.5	18%	0.182	35%	0.353	C	S	.	.			trans	-94.7	177	173.9	-67.1	-50.1	0	0	0	111.9	I436 L640 N641 N642 M644	I436-N638 HydrophobicContact CG2-CB 3.86Å; I436-N638 VanDerWaalsContact CG2-CG 3.47Å; I436-N638 WeakPolarHBondContact CG2-ND2 3.32Å; N638-L640 PolarHBondContact O-N 2.89Å; N638-N641 PolarHBondContact O-N 3.28Å; N638-N642 PolarHBondContact N-O 2.85Å; N638-M644 WeakPolarHBondContact ND2-CG 3.26Å
639	A	53.9	Low	71.8	Confident	107 Å²	107	65.2 Å²	65.2	88%	0.884	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-23.3	178.2	0	0	0	0	0	114.6
640	L	49.8	Very low	72.2	Confident	113 Å²	113	63.9 Å²	63.9	59%	0.592	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	13.8	176.2	-67.7	170.7	0	0	0	113.5	N638 N642	N638-L640 PolarHBondContact O-N 2.89Å; L640-N642 PolarHBondContact O-N 3.18Å
641	N	51.3	Low	72.5	Confident	136 Å²	136	62 Å²	62	73%	0.727	33%	0.334	S	S	*	.	S	Bend	trans	56.4	12.3	-175	-67.3	-24.6	0	0	0	115.6	N638	N638-N641 PolarHBondContact O-N 3.28Å
642	N	56	Low	72.8	Confident	80 Å²	80	62 Å²	62	43%	0.428	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-81.5	132	174.9	-68.2	-26	0	0	0	110.3	N638 L640	N638-N642 PolarHBondContact N-O 2.85Å; L640-N642 PolarHBondContact O-N 3.18Å
643	A	57.3	Low	72.7	Confident	60 Å²	60	61 Å²	61	50%	0.496	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-79.7	122.8	178.7	0	0	0	0	0	111.5	K635 V636	K635-A643 HydrophobicContact CB-CB 4.47Å; K635-A643 HydrophobicContact CD-CB 4.18Å; V636-A643 WeakPolarHBondContact O-CA 3.43Å
644	M	63.6	Low	72.3	Confident	14 Å²	14	58.1 Å²	58.1	7%	0.069	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-69.8	151.7	170.3	-58.1	-174.9	94.8	0	0	111.4	I436 S438 P605 V636 N638 G646	I436-M644 WeakPolarHBondContact O-CE 3.41Å; S438-M644 WeakPolarHBondContact O-CE 3.27Å; P605-M644 HydrophobicContact CB-SD 4.26Å; V636-M644 HydrophobicContact CB-CB 4.14Å; V636-M644 HydrophobicContact CB-CG 4.15Å; V636-M644 HydrophobicContact CB-SD 4.18Å; V636-M644 HydrophobicContact CG1-CG 4.32Å; V636-M644 HydrophobicContact CG1-SD 3.95Å; V636-M644 PolarHBondContact O-N 2.87Å; N638-M644 WeakPolarHBondContact ND2-CG 3.26Å; M644-G646 PolarHBondContact O-N 2.92Å
645	K	65.1	Low	72.2	Confident	192 Å²	192	60.2 Å²	60.2	84%	0.835	32%	0.322	S	S	*	.	S	Bend	trans	-74.7	66.1	170.5	-69	-174.9	178.4	-179.8	0	111.5
646	G	75.5	Confident	72.2	Confident	29 Å²	29	53.9 Å²	53.9	30%	0.299	30%	0.295	S	S	.	.			trans	95.7	-174.6	172.4	0	0	0	0	0	115.6	M644	M644-G646 PolarHBondContact O-N 2.92Å
647	R	86.9	Confident	72.5	Confident	7 Å²	7	56.8 Å²	56.8	3%	0.026	32%	0.316	C	S	.	.			trans	-123.6	147.5	-179.2	-69.2	177.6	-178.8	-170.6	-5.8	109.2	G470 N603 P605 A631 A634 V636 V649	G470-R647 CarbonylContact C-O 3.52Å; G470-R647 WeakPolarHBondContact CA-O 3.43Å; N603-R647 PolarHBondContact OD1-NH2 3.05Å; P605-R647 WeakPolarHBondContact O-CA 3.33Å; A631-R647 PolarHBondContact O-NH1 2.98Å; A634-R647 PolarHBondContact O-NE 3.07Å; V636-R647 HydrophobicContact CG2-CG 3.29Å; R647-V649 HydrophobicContact CB-CG2 4.11Å
648	T	91.6	Very high	73	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.012	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115	169.9	-57.2	0	0	0	0	107.8	P440 G469 G470 I473 P605 I606 L607	P440-T648 VanDerWaalsContact O-CB 3.32Å; P440-T648 WeakPolarHBondContact O-CB 3.43Å; P440-T648 PolarHBondContact O-OG1 3.17Å; G469-T648 WeakPolarHBondContact CA-OG1 3.31Å; G470-T648 PolarHBondContact N-OG1 2.91Å; I473-T648 HydrophobicContact CD1-CG2 4.32Å; P605-T648 PolarHBondContact O-N 3.07Å; I606-T648 CarbonylContact C-O 3.36Å; I606-T648 WeakPolarHBondContact CA-O 3.19Å; L607-T648 PolarHBondContact N-O 2.89Å
649	V	92.4	Very high	74.2	Confident	1 Å²	1	50 Å²	50	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.7	-172.2	-174.7	0	0	0	0	109.4	K471 V472 I473 L607 M609 M632 R647 I651	K471-V649 PolarHBondContact O-N 3.41Å; V472-V649 HydrophobicContact CB-CB 4.47Å; V472-V649 HydrophobicContact CG1-CB 4.33Å; V472-V649 HydrophobicContact CG1-CG1 4.36Å; V472-V649 HydrophobicContact CG2-CB 4.21Å; V472-V649 HydrophobicContact CG2-CG2 4.3Å; I473-V649 PolarHBondContact N-O 2.96Å; L607-V649 HydrophobicContact CB-CG1 4.31Å; L607-V649 HydrophobicContact CB-CG2 4.21Å; L607-V649 HydrophobicContact CD2-CG1 4.22Å; L607-V649 HydrophobicContact CD2-CG2 4.42Å; L607-V649 HydrophobicContact CG-CG1 4.34Å; L607-V649 CarbonylContact O-C 3.55Å; L607-V649 WeakPolarHBondContact O-CA 3.38Å; M609-V649 HydrophobicContact CE-CG1 3.38Å; M632-V649 HydrophobicContact CB-CG2 4.45Å; M632-V649 HydrophobicContact CG-CG1 4Å; M632-V649 HydrophobicContact CG-CG2 4.12Å; M632-V649 HydrophobicContact SD-CG1 4.17Å; R647-V649 HydrophobicContact CB-CG2 4.11Å; V649-I651 HydrophobicContact CG1-CD1 4.18Å; V649-I651 HydrophobicContact CG1-CG1 3.82Å
650	L	94.2	Very high	75.7	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.5	170.6	-178.9	65	0	0	0	109.4	L467 I473 L475 V486 V487 L490 L607 L608 M609	L467-L650 HydrophobicContact CD2-CD1 3.94Å; I473-L650 HydrophobicContact CB-CD1 4.38Å; I473-L650 HydrophobicContact CG2-CD1 4.32Å; I473-L650 CarbonylContact O-C 3.59Å; I473-L650 WeakPolarHBondContact O-CA 3.31Å; L475-L650 HydrophobicContact CB-CD1 4.09Å; V486-L650 HydrophobicContact CG1-CD2 4.19Å; V487-L650 HydrophobicContact CG2-CD2 4.49Å; L490-L650 HydrophobicContact CD1-CD2 3.87Å; L607-L650 PolarHBondContact O-N 2.92Å; L608-L650 WeakPolarHBondContact CA-O 3.45Å; L608-L650 HydrophobicContact CD2-CB 3.73Å; L608-L650 HydrophobicContact CD2-CD2 4.09Å; L608-L650 HydrophobicContact CD2-CG 4.5Å; M609-L650 PolarHBondContact N-O 3.3Å
651	I	91.8	Very high	77.2	Confident	10 Å²	10	52 Å²	52	5%	0.051	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	116.9	-179.4	-41.2	-167.8	0	0	0	109.2	V472 I473 A474 L475 M609 M632 V649 A653 T658	V472-I651 HydrophobicContact CG1-CD1 3.59Å; V472-I651 HydrophobicContact CG1-CG1 4.13Å; I473-I651 PolarHBondContact O-N 3.33Å; A474-I651 CarbonylContact C-O 3.59Å; A474-I651 WeakPolarHBondContact CA-O 3.42Å; L475-I651 PolarHBondContact N-O 3.1Å; M609-I651 HydrophobicContact CB-CG2 4.49Å; M609-I651 HydrophobicContact CE-CB 4.27Å; M609-I651 HydrophobicContact CE-CD1 3.42Å; M609-I651 VanDerWaalsContact CE-CD1 3.42Å; M609-I651 HydrophobicContact CE-CG1 3.37Å; M609-I651 HydrophobicContact CE-CG2 4.23Å; M632-I651 HydrophobicContact CE-CD1 4.34Å; M632-I651 HydrophobicContact SD-CD1 3.93Å; V649-I651 HydrophobicContact CG1-CD1 4.18Å; V649-I651 HydrophobicContact CG1-CG1 3.82Å; I651-A653 HydrophobicContact CG2-CB 4.03Å; I651-A653 PolarHBondContact O-N 3.41Å; I651-T658 HydrophobicContact CD1-CG2 4.12Å; I651-T658 HydrophobicContact CG2-CG2 3.91Å
652	I	91.4	Very high	79	Confident	1 Å²	1	46 Å²	46	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	109.7	162.5	-56.9	170.3	0	0	0	106.4	L475 K483 V487 M609 D610 E611	L475-I652 HydrophobicContact CB-CG1 4.48Å; L475-I652 HydrophobicContact CD2-CG1 4.43Å; K483-I652 HydrophobicContact CB-CD1 4Å; K483-I652 HydrophobicContact CB-CG1 4.25Å; K483-I652 HydrophobicContact CB-CG2 3.83Å; K483-I652 HydrophobicContact CD-CG2 3.87Å; K483-I652 HydrophobicContact CG-CG2 4.47Å; K483-I652 WeakPolarHBondContact O-CD1 3.39Å; V487-I652 HydrophobicContact CG2-CD1 3.57Å; V487-I652 HydrophobicContact CG2-CG1 4.44Å; M609-I652 PolarHBondContact O-N 2.84Å; D610-I652 HydrophobicContact CB-CD1 4.28Å; D610-I652 WeakPolarHBondContact OD1-CD1 3.42Å; E611-I652 WeakPolarHBondContact CA-O 3.37Å; E611-I652 HydrophobicContact CG-CG2 4.01Å; E611-I652 PolarHBondContact N-O 2.8Å
653	A	79.8	Confident	80.6	Confident	8 Å²	8	46.2 Å²	46.2	7%	0.066	24%	0.235	C	C	.	.			trans	-125.7	133.6	-176.5	0	0	0	0	0	110.9	I651 T658 V659	I651-A653 HydrophobicContact CG2-CB 4.03Å; I651-A653 PolarHBondContact O-N 3.41Å; A653-T658 HydrophobicContact CB-CG2 4.39Å; A653-V659 HydrophobicContact CB-CG2 3.6Å
654	H	76.5	Confident	82.4	Confident	113 Å²	113	44.9 Å²	44.9	52%	0.523	22%	0.219	S	C	.	.	S	Bend	trans	-94	-17.7	164.9	-164.5	-85.9	0	0	0	111.7	Q696	H654-Q696 PolarHBondContact CE1-NE2 2.62Å; H654-Q696 VanDerWaalsContact CE1-NE2 3.34Å; H654-Q696 PolarHBondContact ND1-NE2 3.19Å; H654-Q696 VanDerWaalsContact O-CD 3.27Å; H654-Q696 PolarHBondContact O-NE2 2.81Å; H654-Q696 PolarHBondContact O-OE1 3.23Å; H654-Q696 VanDerWaalsContact O-OE1 3.07Å
655	R	74.9	Confident	83.8	Confident	70 Å²	70	44.2 Å²	44.2	26%	0.264	22%	0.216	S	C	.	.	S	Bend	trans	-94.8	130.3	-176.8	-63.9	-169.6	-179.8	-152.1	6	112.2	T613 S614 E621 S657 T658 V659	T613-R655 PolarHBondContact O-NE 2.98Å; T613-R655 PolarHBondContact O-NH2 3.21Å; S614-R655 PolarHBondContact O-NH2 3.07Å; E621-R655 WeakPolarHBondContact OE1-CD 3.39Å; E621-R655 IonicContact OE1-CZ 3.51Å; E621-R655 IonicContact OE1-NE 3.83Å; E621-R655 IonicContact OE1-NH1 2.69Å; E621-R655 PolarHBondContact OE1-NH1 3.3Å; E621-R655 IonicContact OE2-CZ 3.68Å; E621-R655 IonicContact OE2-NH1 2.62Å; E621-R655 PolarHBondContact OE2-NH1 3.4Å; R655-S657 VanDerWaalsContact C-N 3.26Å; R655-S657 PolarHBondContact O-N 2.69Å; R655-T658 PolarHBondContact O-N 3.46Å; R655-V659 WeakPolarHBondContact O-CG2 3.44Å; R655-V659 PolarHBondContact O-N 3.15Å
656	L	73	Confident	85.2	Confident	25 Å²	25	35.3 Å²	35.3	13%	0.131	18%	0.177	C	C	.	.	H	α-helix	trans	-53.5	-37.3	176.3	-80.7	158.8	0	0	0	114	T658 V659 R660 V693 Q696 E697	L656-T658 VanDerWaalsContact C-N 3.3Å; L656-T658 PolarHBondContact O-N 3.4Å; L656-V659 PolarHBondContact O-N 2.89Å; L656-R660 WeakPolarHBondContact O-CB 3.3Å; L656-R660 VanDerWaalsContact O-CG 3.31Å; L656-R660 WeakPolarHBondContact O-CG 3.46Å; L656-R660 PolarHBondContact O-N 3.34Å; L656-V693 HydrophobicContact CD1-CG1 4.09Å; L656-V693 HydrophobicContact CD2-CB 3.96Å; L656-V693 HydrophobicContact CD2-CG1 3.65Å; L656-V693 HydrophobicContact CD2-CG2 3.52Å; L656-Q696 HydrophobicContact CD1-CB 3.67Å; L656-Q696 HydrophobicContact CG-CB 4.45Å; L656-E697 HydrophobicContact CD1-CG 3.83Å
657	S	74.9	Confident	86	Confident	62 Å²	62	33.9 Å²	33.9	43%	0.434	16%	0.163	S	C	.	.	H	α-helix	trans	-60.5	-35.9	-177	55.4	0	0	0	0	113.5	R655	R655-S657 VanDerWaalsContact C-N 3.26Å; R655-S657 PolarHBondContact O-N 2.69Å
658	T	77	Confident	86.2	Confident	11 Å²	11	33.6 Å²	33.6	7%	0.067	16%	0.162	C	C	.	.	H	α-helix	trans	-80.9	-39.9	176.9	-44.9	0	0	0	0	110.8	Q625 I651 A653 R655 L656 K661	Q625-T658 PolarHBondContact OE1-OG1 2.99Å; I651-T658 HydrophobicContact CD1-CG2 4.12Å; I651-T658 HydrophobicContact CG2-CG2 3.91Å; A653-T658 HydrophobicContact CB-CG2 4.39Å; R655-T658 PolarHBondContact O-N 3.46Å; L656-T658 VanDerWaalsContact C-N 3.3Å; L656-T658 PolarHBondContact O-N 3.4Å; T658-K661 PolarHBondContact O-N 3.24Å
659	V	81.2	Confident	86.2	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.024	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-40.3	-179.3	177.2	0	0	0	0	112	A474 V476 A653 R655 L656 K661 A662 I665 Y689	A474-V659 HydrophobicContact CB-CG1 4.27Å; A474-V659 HydrophobicContact CB-CG2 4.41Å; V476-V659 HydrophobicContact CG2-CB 4.4Å; V476-V659 HydrophobicContact CG2-CG1 3.8Å; V476-V659 HydrophobicContact CG2-CG2 3.58Å; A653-V659 HydrophobicContact CB-CG2 3.6Å; R655-V659 WeakPolarHBondContact O-CG2 3.44Å; R655-V659 PolarHBondContact O-N 3.15Å; L656-V659 PolarHBondContact O-N 2.89Å; V659-K661 PolarHBondContact O-N 3.29Å; V659-K661 VanDerWaalsContact O-N 3.15Å; V659-A662 WeakPolarHBondContact O-CB 3.4Å; V659-A662 PolarHBondContact O-N 3.32Å; V659-A662 VanDerWaalsContact O-N 3.11Å; V659-I665 HydrophobicContact CG1-CD1 3.6Å; V659-I665 HydrophobicContact CG1-CG1 3.89Å; V659-I665 HydrophobicContact CG1-CG2 4.12Å; V659-Y689 HydrophobicContact CG1-CE2 3.85Å; V659-Y689 VanDerWaalsContact CG1-OH 3.3Å; V659-Y689 WeakPolarHBondContact CG1-OH 3.37Å
660	R	84.7	Confident	86.1	Confident	125 Å²	125	43.4 Å²	43.4	47%	0.472	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.1	179.9	-78.9	-177.9	-178	179.2	4.8	114	L656 E697	L656-R660 WeakPolarHBondContact O-CB 3.3Å; L656-R660 VanDerWaalsContact O-CG 3.31Å; L656-R660 WeakPolarHBondContact O-CG 3.46Å; L656-R660 PolarHBondContact O-N 3.34Å; R660-E697 IonicContact CZ-OE1 3.96Å; R660-E697 IonicContact NH2-OE1 2.7Å; R660-E697 PolarHBondContact NH2-OE1 3.28Å
661	K	82.5	Confident	85.9	Confident	139 Å²	139	43.2 Å²	43.2	60%	0.604	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.8	-178.8	-65.9	-179.9	-179.4	176	0	113.4	T658 V659	T658-K661 PolarHBondContact O-N 3.24Å; V659-K661 PolarHBondContact O-N 3.29Å; V659-K661 VanDerWaalsContact O-N 3.15Å
662	A	88	Confident	85.9	Confident	9 Å²	9	46.5 Å²	46.5	7%	0.074	22%	0.222	C	C	.	.			trans	-76.7	142	-179.9	0	0	0	0	0	111.2	V472 A474 V659 L664 I665	V472-A662 HydrophobicContact CG1-CB 4.45Å; A474-A662 HydrophobicContact CB-CB 3.59Å; V659-A662 WeakPolarHBondContact O-CB 3.4Å; V659-A662 PolarHBondContact O-N 3.32Å; V659-A662 VanDerWaalsContact O-N 3.11Å; A662-L664 VanDerWaalsContact C-N 3.26Å; A662-I665 HydrophobicContact CB-CG1 4.23Å
663	D	91.3	Very high	86	Confident	84 Å²	84	48.4 Å²	48.4	45%	0.449	23%	0.231	S	C	.	.	S	Bend	trans	-70.8	-27.6	174.6	-57.9	-54.9	0	0	0	111.6	K471 V472	K471-D663 WeakPolarHBondContact CA-OD2 3.47Å; K471-D663 HydrophobicContact CB-CB 4.18Å; K471-D663 HydrophobicContact CD-CB 4.12Å; K471-D663 HydrophobicContact CG-CB 4.46Å; V472-D663 PolarHBondContact N-OD2 3.07Å; V472-D663 PolarHBondContact O-N 3.23Å
664	L	93.4	Very high	86.6	Confident	33 Å²	33	51.4 Å²	51.4	17%	0.173	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	130.6	178.3	-180	63.7	0	0	0	109.4	P468 V472 I473 A474 A662 L666	P468-L664 HydrophobicContact CG-CD2 4.48Å; V472-L664 PolarHBondContact O-N 3.49Å; I473-L664 CarbonylContact C-O 3.54Å; I473-L664 VanDerWaalsContact CA-O 3.27Å; I473-L664 WeakPolarHBondContact CA-O 3.31Å; I473-L664 HydrophobicContact CG1-CB 4.24Å; I473-L664 HydrophobicContact CG1-CD2 4.37Å; I473-L664 HydrophobicContact CG2-CB 4.34Å; I473-L664 HydrophobicContact CG2-CD2 4.37Å; I473-L664 HydrophobicContact CG2-CG 4.35Å; A474-L664 PolarHBondContact N-O 2.9Å; A662-L664 VanDerWaalsContact C-N 3.26Å; L664-L666 HydrophobicContact CD1-CD2 4.44Å; L664-L666 HydrophobicContact CD2-CD2 4.08Å; L664-L666 HydrophobicContact CD2-CG 4.43Å; L664-L666 HydrophobicContact CG-CD2 4.11Å; L664-L666 HydrophobicContact CG-CG 4.37Å
665	I	93.4	Very high	87.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	173.5	-58.7	166.3	0	0	0	107.6	A474 V476 V659 A662 V667 K676 G677 H679 L682 Y689	A474-I665 HydrophobicContact CB-CG1 4.35Å; A474-I665 CarbonylContact O-C 3.6Å; A474-I665 WeakPolarHBondContact O-CA 3.48Å; V476-I665 HydrophobicContact CG2-CG2 4.1Å; V659-I665 HydrophobicContact CG1-CD1 3.6Å; V659-I665 HydrophobicContact CG1-CG1 3.89Å; V659-I665 HydrophobicContact CG1-CG2 4.12Å; A662-I665 HydrophobicContact CB-CG1 4.23Å; I665-V667 HydrophobicContact CG2-CG2 4.24Å; I665-K676 VanDerWaalsContact O-CA 3.3Å; I665-K676 WeakPolarHBondContact O-CA 3.37Å; I665-G677 WeakPolarHBondContact CB-O 3.44Å; I665-G677 PolarHBondContact N-O 2.88Å; I665-G677 PolarHBondContact O-N 2.69Å; I665-G677 VanDerWaalsContact O-N 3.11Å; I665-H679 HydrophobicContact CD1-CB 3.86Å; I665-L682 HydrophobicContact CB-CD1 3.66Å; I665-L682 HydrophobicContact CD1-CD1 4.35Å; I665-L682 HydrophobicContact CG2-CD1 3.67Å; I665-Y689 HydrophobicContact CD1-CE2 4.24Å; I665-Y689 HydrophobicContact CG2-CD2 4.09Å; I665-Y689 HydrophobicContact CG2-CE2 3.86Å
666	L	94	Very high	88.2	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.3	174.5	-61.2	-180	0	0	0	108.4	M465 L467 I473 A474 L475 V476 L664 I673 K676	M465-L666 HydrophobicContact CB-CD1 4.31Å; M465-L666 HydrophobicContact CE-CD1 3.31Å; M465-L666 HydrophobicContact SD-CD1 4.18Å; L467-L666 HydrophobicContact CD2-CD1 4.12Å; I473-L666 HydrophobicContact CG2-CD1 3.76Å; I473-L666 HydrophobicContact CG2-CG 3.87Å; A474-L666 PolarHBondContact O-N 3.18Å; L475-L666 WeakPolarHBondContact CA-O 3.43Å; L475-L666 HydrophobicContact CD1-CB 3.9Å; V476-L666 PolarHBondContact N-O 3Å; L664-L666 HydrophobicContact CD1-CD2 4.44Å; L664-L666 HydrophobicContact CD2-CD2 4.08Å; L664-L666 HydrophobicContact CD2-CG 4.43Å; L664-L666 HydrophobicContact CG-CD2 4.11Å; L664-L666 HydrophobicContact CG-CG 4.37Å; L666-I673 HydrophobicContact CB-CD1 4.15Å; L666-K676 HydrophobicContact CD2-CB 3.69Å
667	V	92.6	Very high	89.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.3	-177.2	-172	0	0	0	0	108.3	V476 I665 I673 V674 E675 L682 Y688 Y689 L692	V476-V667 CarbonylContact O-C 3.52Å; V476-V667 WeakPolarHBondContact O-CA 3.3Å; I665-V667 HydrophobicContact CG2-CG2 4.24Å; V667-I673 CarbonylContact O-C 3.56Å; V667-I673 WeakPolarHBondContact O-CA 3.34Å; V667-V674 HydrophobicContact CB-CG2 4Å; V667-V674 HydrophobicContact CG1-CG2 3.72Å; V667-V674 WeakPolarHBondContact O-CG2 3.4Å; V667-V674 PolarHBondContact O-N 2.76Å; V667-E675 HydrophobicContact CB-CB 3.91Å; V667-E675 HydrophobicContact CG2-CB 3.87Å; V667-E675 PolarHBondContact N-O 3.34Å; V667-L682 HydrophobicContact CG2-CD1 4.01Å; V667-Y688 HydrophobicContact CG1-CD1 3.44Å; V667-Y688 VanDerWaalsContact CG1-CD1 3.44Å; V667-Y688 HydrophobicContact CG1-CE1 4.14Å; V667-Y688 HydrophobicContact CG1-CG 4.29Å; V667-Y689 HydrophobicContact CG2-CD2 3.97Å; V667-Y689 HydrophobicContact CG2-CG 4.31Å; V667-L692 HydrophobicContact CG1-CD1 4.48Å
668	M	92.5	Very high	90	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.5	-173.3	-158.5	162.3	94.7	0	0	111.6	L460 L463 L475 V476 G477 A481 G482 K483 V486 Q672 I673	L460-M668 HydrophobicContact CD2-CE 4.13Å; L463-M668 HydrophobicContact CD1-SD 4.07Å; L475-M668 HydrophobicContact CD1-CB 4.07Å; L475-M668 HydrophobicContact CD1-SD 4.09Å; L475-M668 HydrophobicContact CD2-SD 4.36Å; V476-M668 PolarHBondContact O-N 3.37Å; G477-M668 VanDerWaalsContact CA-O 3.29Å; G477-M668 WeakPolarHBondContact CA-O 3.43Å; A481-M668 VanDerWaalsContact C-CE 3.47Å; A481-M668 HydrophobicContact CB-CE 4.46Å; A481-M668 WeakPolarHBondContact O-CE 3.45Å; G482-M668 VanDerWaalsContact CA-CE 3.42Å; G482-M668 WeakPolarHBondContact O-CE 3.3Å; K483-M668 HydrophobicContact CB-CE 4.43Å; K483-M668 HydrophobicContact CG-CE 4.01Å; V486-M668 HydrophobicContact CG2-CE 4.23Å; V486-M668 HydrophobicContact CG2-SD 4.24Å; M668-Q672 VanDerWaalsContact CA-O 3.31Å; M668-Q672 WeakPolarHBondContact CA-O 3.29Å; M668-Q672 VanDerWaalsContact CG-O 3.31Å; M668-Q672 WeakPolarHBondContact CG-O 3.2Å; M668-I673 HydrophobicContact CB-CD1 4.08Å; M668-I673 HydrophobicContact CG-CD1 4.04Å; M668-I673 HydrophobicContact SD-CD1 4.13Å
669	S	91.1	Very high	90.6	Very high	25 Å²	25	52 Å²	52	18%	0.175	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	134.7	175.9	-174.1	0	0	0	0	109.2	G671 Q672	S669-G671 PolarHBondContact O-N 2.89Å; S669-G671 VanDerWaalsContact O-N 3.07Å; S669-Q672 PolarHBondContact N-O 3.11Å; S669-Q672 PolarHBondContact O-N 3.11Å; S669-Q672 VanDerWaalsContact O-O 3.13Å
670	K	89.3	Confident	91	Very high	185 Å²	185	56.1 Å²	56.1	80%	0.804	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	40.1	178	-59.3	-179.1	179.2	178.9	0	114.1
671	G	90	Very high	91.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	10.9	177.7	0	0	0	0	0	116.1	V459 N461 A481 S669	V459-G671 WeakPolarHBondContact O-CA 3.34Å; N461-G671 PolarHBondContact N-O 2.84Å; A481-G671 WeakPolarHBondContact O-CA 3.37Å; A481-G671 PolarHBondContact O-N 3.43Å; S669-G671 PolarHBondContact O-N 2.89Å; S669-G671 VanDerWaalsContact O-N 3.07Å
672	Q	93.3	Very high	91.6	Very high	78 Å²	78	48.4 Å²	48.4	36%	0.364	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.7	178.5	-72.6	179.9	-10.7	0	0	111.8	N461 M668 S669	N461-Q672 HydrophobicContact CB-CG 4.47Å; N461-Q672 PolarHBondContact ND2-NE2 2.85Å; N461-Q672 WeakPolarHBondContact O-CG 3.3Å; N461-Q672 PolarHBondContact O-NE2 3.19Å; M668-Q672 VanDerWaalsContact CA-O 3.31Å; M668-Q672 WeakPolarHBondContact CA-O 3.29Å; M668-Q672 VanDerWaalsContact CG-O 3.31Å; M668-Q672 WeakPolarHBondContact CG-O 3.2Å; S669-Q672 PolarHBondContact N-O 3.11Å; S669-Q672 PolarHBondContact O-N 3.11Å; S669-Q672 VanDerWaalsContact O-O 3.13Å
673	I	93.3	Very high	91.6	Very high	41 Å²	41	49.9 Å²	49.9	21%	0.21	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	119.8	169.2	-59.7	-49.6	0	0	0	108.9	L463 M465 L475 L666 V667 M668 E675	L463-I673 HydrophobicContact CD1-CD1 3.91Å; L463-I673 HydrophobicContact CD1-CG1 3.74Å; M465-I673 HydrophobicContact CB-CG1 3.99Å; M465-I673 HydrophobicContact SD-CD1 4.24Å; M465-I673 HydrophobicContact SD-CG1 4.46Å; L475-I673 HydrophobicContact CD1-CD1 4.03Å; L666-I673 HydrophobicContact CB-CD1 4.15Å; V667-I673 CarbonylContact O-C 3.56Å; V667-I673 WeakPolarHBondContact O-CA 3.34Å; M668-I673 HydrophobicContact CB-CD1 4.08Å; M668-I673 HydrophobicContact CG-CD1 4.04Å; M668-I673 HydrophobicContact SD-CD1 4.13Å; I673-E675 WeakPolarHBondContact CG2-O 3.29Å
674	V	92.2	Very high	91.5	Very high	72 Å²	72	49.2 Å²	49.2	44%	0.436	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-33.1	178	-65.5	0	0	0	0	112.3	V667 Y688	V667-V674 HydrophobicContact CB-CG2 4Å; V667-V674 HydrophobicContact CG1-CG2 3.72Å; V667-V674 WeakPolarHBondContact O-CG2 3.4Å; V667-V674 PolarHBondContact O-N 2.76Å; V674-Y688 HydrophobicContact CG2-CD1 4.38Å; V674-Y688 HydrophobicContact CG2-CG 4.28Å
675	E	92.6	Very high	91.2	Very high	39 Å²	39	53 Å²	53	18%	0.182	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	150.5	-179.1	-66.4	170.1	-166	0	0	111	V667 I673 L682 G687 Y688 Y689	V667-E675 HydrophobicContact CB-CB 3.91Å; V667-E675 HydrophobicContact CG2-CB 3.87Å; V667-E675 PolarHBondContact N-O 3.34Å; I673-E675 WeakPolarHBondContact CG2-O 3.29Å; E675-L682 HydrophobicContact CB-CD2 3.82Å; E675-G687 WeakPolarHBondContact OE1-CA 3.31Å; E675-Y688 WeakPolarHBondContact OE1-CB 3.44Å; E675-Y688 PolarHBondContact OE1-N 3.4Å; E675-Y689 WeakPolarHBondContact OE2-CB 3.26Å; E675-Y689 PolarHBondContact OE2-N 2.7Å
676	K	93	Very high	90.8	Very high	160 Å²	160	58.8 Å²	58.8	70%	0.696	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.9	140.6	174.2	66.3	-177	-177.8	-175.9	0	110.1	I665 L666	I665-K676 VanDerWaalsContact O-CA 3.3Å; I665-K676 WeakPolarHBondContact O-CA 3.37Å; L666-K676 HydrophobicContact CD2-CB 3.69Å
677	G	92.9	Very high	90.5	Very high	6 Å²	6	59.3 Å²	59.3	6%	0.062	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.5	-175.9	177.4	0	0	0	0	0	112.6	I665 E681	I665-G677 WeakPolarHBondContact CB-O 3.44Å; I665-G677 PolarHBondContact N-O 2.88Å; I665-G677 PolarHBondContact O-N 2.69Å; I665-G677 VanDerWaalsContact O-N 3.11Å; G677-E681 VanDerWaalsContact CA-OE2 3.29Å; G677-E681 WeakPolarHBondContact CA-OE2 3.48Å
678	T	91.5	Very high	90.2	Very high	49 Å²	49	61.8 Å²	61.8	30%	0.301	33%	0.325	S	S	.	.			trans	-78	165.5	168.4	66.6	0	0	0	0	111	S680 E681 L682	T678-S680 VanDerWaalsContact C-N 3.28Å; T678-S680 PolarHBondContact O-N 3.05Å; T678-E681 PolarHBondContact N-OE2 2.92Å; T678-E681 PolarHBondContact O-N 3.24Å; T678-E681 VanDerWaalsContact OG1-CG 3.26Å; T678-E681 WeakPolarHBondContact OG1-CG 3.46Å; T678-E681 PolarHBondContact OG1-N 3.31Å; T678-E681 PolarHBondContact OG1-OE1 2.85Å; T678-E681 VanDerWaalsContact OG1-OE1 3.12Å; T678-L682 WeakPolarHBondContact O-CG 3.18Å; T678-L682 PolarHBondContact O-N 2.84Å
679	H	89.6	Confident	90	Very high	38 Å²	38	61.9 Å²	61.9	18%	0.176	33%	0.325	C	S	.	.	H	α-helix	trans	-54.7	-45.5	178	177.8	66.5	0	0	0	112	I665 L682 M683 Y689	I665-H679 HydrophobicContact CD1-CB 3.86Å; H679-L682 PolarHBondContact O-N 3.41Å; H679-M683 WeakPolarHBondContact O-CB 3.44Å; H679-M683 VanDerWaalsContact O-CG 3.24Å; H679-M683 WeakPolarHBondContact O-CG 3.24Å; H679-M683 PolarHBondContact O-N 3.11Å; H679-Y689 AromaticContact CE1-CE1 4Å; H679-Y689 AromaticContact ND1-CE1 3.44Å; H679-Y689 WeakPolarHBondContact ND1-CE1 3.41Å; H679-Y689 AromaticContact ND1-CZ 3.58Å; H679-Y689 PolarHBondContact ND1-OH 3.39Å
680	S	89.7	Confident	89.8	Confident	91 Å²	91	63.5 Å²	63.5	64%	0.636	33%	0.328	S	S	*	.	H	α-helix	trans	-65	-41.4	180	-57.3	0	0	0	0	112.5	T678 A684	T678-S680 VanDerWaalsContact C-N 3.28Å; T678-S680 PolarHBondContact O-N 3.05Å; S680-A684 PolarHBondContact O-N 3.42Å; S680-A684 VanDerWaalsContact O-N 3.16Å
681	E	91	Very high	89.7	Confident	102 Å²	102	57.9 Å²	57.9	48%	0.477	31%	0.307	S	S	.	.	H	α-helix	trans	-64	-46.1	176.7	-73	158.5	-155.2	0	0	111.8	G677 T678 M683 A684 N685	G677-E681 VanDerWaalsContact CA-OE2 3.29Å; G677-E681 WeakPolarHBondContact CA-OE2 3.48Å; T678-E681 PolarHBondContact N-OE2 2.92Å; T678-E681 PolarHBondContact O-N 3.24Å; T678-E681 VanDerWaalsContact OG1-CG 3.26Å; T678-E681 WeakPolarHBondContact OG1-CG 3.46Å; T678-E681 PolarHBondContact OG1-N 3.31Å; T678-E681 PolarHBondContact OG1-OE1 2.85Å; T678-E681 VanDerWaalsContact OG1-OE1 3.12Å; E681-M683 PolarHBondContact O-N 3.46Å; E681-A684 PolarHBondContact O-N 3.12Å; E681-N685 VanDerWaalsContact O-CG 3.3Å; E681-N685 PolarHBondContact O-N 3.01Å; E681-N685 VanDerWaalsContact O-N 3.16Å; E681-N685 PolarHBondContact O-ND2 3.37Å
682	L	88.9	Confident	89.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-70	-32.5	-178.1	-68	179.6	0	0	0	112.8	I665 V667 E675 T678 H679 Y689	I665-L682 HydrophobicContact CB-CD1 3.66Å; I665-L682 HydrophobicContact CD1-CD1 4.35Å; I665-L682 HydrophobicContact CG2-CD1 3.67Å; V667-L682 HydrophobicContact CG2-CD1 4.01Å; E675-L682 HydrophobicContact CB-CD2 3.82Å; T678-L682 WeakPolarHBondContact O-CG 3.18Å; T678-L682 PolarHBondContact O-N 2.84Å; H679-L682 PolarHBondContact O-N 3.41Å; L682-Y689 HydrophobicContact CB-CD1 3.33Å; L682-Y689 HydrophobicContact CB-CE1 4.01Å; L682-Y689 HydrophobicContact CB-CG 3.75Å; L682-Y689 HydrophobicContact CD1-CD1 4.07Å; L682-Y689 HydrophobicContact CD1-CD2 4.07Å; L682-Y689 HydrophobicContact CD1-CG 3.81Å; L682-Y689 HydrophobicContact CG-CD1 4.35Å; L682-Y689 HydrophobicContact CG-CG 4.4Å
683	M	88.7	Confident	89	Confident	41 Å²	41	55.5 Å²	55.5	20%	0.202	30%	0.296	C	S	.	.	H	α-helix	trans	-68.3	-35.9	173.1	-72.7	-60.7	-70.4	0	0	112.1	H679 E681 N685 Y689 Y690 V693	H679-M683 WeakPolarHBondContact O-CB 3.44Å; H679-M683 VanDerWaalsContact O-CG 3.24Å; H679-M683 WeakPolarHBondContact O-CG 3.24Å; H679-M683 PolarHBondContact O-N 3.11Å; E681-M683 PolarHBondContact O-N 3.46Å; M683-N685 VanDerWaalsContact C-N 3.34Å; M683-Y689 HydrophobicContact CG-CD1 4.49Å; M683-Y689 HydrophobicContact CG-CE1 4.16Å; M683-Y689 HydrophobicContact SD-CD1 4.2Å; M683-Y689 HydrophobicContact SD-CE1 4.04Å; M683-Y690 HydrophobicContact CE-CD2 3.64Å; M683-Y690 HydrophobicContact CE-CE2 3.86Å; M683-Y690 HydrophobicContact SD-CD2 3.96Å; M683-V693 HydrophobicContact CE-CB 4.44Å; M683-V693 HydrophobicContact CE-CG1 3.95Å; M683-V693 HydrophobicContact SD-CB 3.87Å; M683-V693 HydrophobicContact SD-CG1 3.84Å; M683-V693 HydrophobicContact SD-CG2 3.75Å
684	A	88.1	Confident	88.6	Confident	69 Å²	69	55 Å²	55	57%	0.57	29%	0.293	S	S	*	.	H	α-helix	trans	-70	-30.1	177	0	0	0	0	0	113	S680 E681 H686	S680-A684 PolarHBondContact O-N 3.42Å; S680-A684 VanDerWaalsContact O-N 3.16Å; E681-A684 PolarHBondContact O-N 3.12Å; A684-H686 PolarHBondContact O-CD2 2.96Å; A684-H686 PolarHBondContact O-N 3.05Å
685	N	87.7	Confident	88	Confident	114 Å²	114	59.8 Å²	59.8	61%	0.61	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-9.6	-179.1	-70.7	-17.6	0	0	0	114.1	E681 M683 G687	E681-N685 VanDerWaalsContact O-CG 3.3Å; E681-N685 PolarHBondContact O-N 3.01Å; E681-N685 VanDerWaalsContact O-N 3.16Å; E681-N685 PolarHBondContact O-ND2 3.37Å; M683-N685 VanDerWaalsContact C-N 3.34Å; N685-G687 PolarHBondContact O-N 3.39Å; N685-G687 VanDerWaalsContact O-N 3.07Å
686	H	84.6	Confident	87.2	Confident	120 Å²	120	61.5 Å²	61.5	56%	0.556	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	34.8	-177.8	-67	-69.7	0	0	0	114.4	A684 Y690	A684-H686 PolarHBondContact O-CD2 2.96Å; A684-H686 PolarHBondContact O-N 3.05Å; H686-Y690 AromaticContact CE1-CE2 3.6Å; H686-Y690 AromaticContact CE1-CZ 3.76Å; H686-Y690 AromaticContact ND1-CD1 3.84Å; H686-Y690 AromaticContact ND1-CD2 3.56Å; H686-Y690 AromaticContact ND1-CE1 3.61Å; H686-Y690 AromaticContact ND1-CE2 3.32Å; H686-Y690 VanDerWaalsContact ND1-CE2 3.32Å; H686-Y690 WeakPolarHBondContact ND1-CE2 3.44Å; H686-Y690 AromaticContact ND1-CG 3.82Å; H686-Y690 AromaticContact ND1-CZ 3.35Å; H686-Y690 VanDerWaalsContact ND1-CZ 3.35Å
687	G	88.3	Confident	86.5	Confident	15 Å²	15	58.2 Å²	58.2	16%	0.155	30%	0.298	C	S	.	.	S	Bend	trans	-90	-157.2	-175.9	0	0	0	0	0	114.8	E675 N685 Y689 Y690 N691	E675-G687 WeakPolarHBondContact OE1-CA 3.31Å; N685-G687 PolarHBondContact O-N 3.39Å; N685-G687 VanDerWaalsContact O-N 3.07Å; G687-Y689 VanDerWaalsContact C-N 3.28Å; G687-Y689 PolarHBondContact O-N 2.93Å; G687-Y690 WeakPolarHBondContact O-CB 3.35Å; G687-Y690 PolarHBondContact O-N 3.34Å; G687-N691 PolarHBondContact O-N 2.99Å; G687-N691 VanDerWaalsContact O-N 3.09Å
688	Y	86	Confident	85.1	Confident	52 Å²	52	60.6 Å²	60.6	20%	0.204	32%	0.323	C	S	.	.	H	α-helix	trans	-56.8	-39.9	174.7	-164.3	-89.3	0	0	0	112.3	Q478 V667 V674 E675 N691 L692	Q478-Y688 WeakPolarHBondContact CG-OH 3.41Å; Q478-Y688 PolarHBondContact NE2-OH 2.66Å; V667-Y688 HydrophobicContact CG1-CD1 3.44Å; V667-Y688 VanDerWaalsContact CG1-CD1 3.44Å; V667-Y688 HydrophobicContact CG1-CE1 4.14Å; V667-Y688 HydrophobicContact CG1-CG 4.29Å; V674-Y688 HydrophobicContact CG2-CD1 4.38Å; V674-Y688 HydrophobicContact CG2-CG 4.28Å; E675-Y688 WeakPolarHBondContact OE1-CB 3.44Å; E675-Y688 PolarHBondContact OE1-N 3.4Å; Y688-N691 PolarHBondContact O-N 3.43Å; Y688-L692 HydrophobicContact CD1-CD1 3.77Å; Y688-L692 HydrophobicContact CD1-CG 4.08Å; Y688-L692 HydrophobicContact CE1-CD1 3.68Å; Y688-L692 HydrophobicContact CE1-CD2 4.35Å; Y688-L692 HydrophobicContact CE1-CG 4.02Å; Y688-L692 WeakPolarHBondContact O-CG 3.48Å; Y688-L692 PolarHBondContact O-N 3.3Å
689	Y	88.2	Confident	83.3	Confident	3 Å²	3	61.2 Å²	61.2	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-60.9	-46.9	174.8	-176	-105.8	0	0	0	112.4	V659 I665 V667 E675 H679 L682 M683 G687 N691 L692 V693	V659-Y689 HydrophobicContact CG1-CE2 3.85Å; V659-Y689 VanDerWaalsContact CG1-OH 3.3Å; V659-Y689 WeakPolarHBondContact CG1-OH 3.37Å; I665-Y689 HydrophobicContact CD1-CE2 4.24Å; I665-Y689 HydrophobicContact CG2-CD2 4.09Å; I665-Y689 HydrophobicContact CG2-CE2 3.86Å; V667-Y689 HydrophobicContact CG2-CD2 3.97Å; V667-Y689 HydrophobicContact CG2-CG 4.31Å; E675-Y689 WeakPolarHBondContact OE2-CB 3.26Å; E675-Y689 PolarHBondContact OE2-N 2.7Å; H679-Y689 AromaticContact CE1-CE1 4Å; H679-Y689 AromaticContact ND1-CE1 3.44Å; H679-Y689 WeakPolarHBondContact ND1-CE1 3.41Å; H679-Y689 AromaticContact ND1-CZ 3.58Å; H679-Y689 PolarHBondContact ND1-OH 3.39Å; L682-Y689 HydrophobicContact CB-CD1 3.33Å; L682-Y689 HydrophobicContact CB-CE1 4.01Å; L682-Y689 HydrophobicContact CB-CG 3.75Å; L682-Y689 HydrophobicContact CD1-CD1 4.07Å; L682-Y689 HydrophobicContact CD1-CD2 4.07Å; L682-Y689 HydrophobicContact CD1-CG 3.81Å; L682-Y689 HydrophobicContact CG-CD1 4.35Å; L682-Y689 HydrophobicContact CG-CG 4.4Å; M683-Y689 HydrophobicContact CG-CD1 4.49Å; M683-Y689 HydrophobicContact CG-CE1 4.16Å; M683-Y689 HydrophobicContact SD-CD1 4.2Å; M683-Y689 HydrophobicContact SD-CE1 4.04Å; G687-Y689 VanDerWaalsContact C-N 3.28Å; G687-Y689 PolarHBondContact O-N 2.93Å; Y689-N691 VanDerWaalsContact C-N 3.29Å; Y689-N691 PolarHBondContact O-N 3.28Å; Y689-L692 WeakPolarHBondContact O-CB 3.48Å; Y689-L692 PolarHBondContact O-N 3.31Å; Y689-L692 VanDerWaalsContact O-N 3.11Å; Y689-V693 HydrophobicContact CD1-CG2 3.81Å; Y689-V693 HydrophobicContact CD2-CG2 4.45Å; Y689-V693 HydrophobicContact CE1-CG2 3.44Å; Y689-V693 VanDerWaalsContact CE1-CG2 3.44Å; Y689-V693 HydrophobicContact CE2-CG2 4.11Å; Y689-V693 HydrophobicContact CG-CG2 4.32Å; Y689-V693 WeakPolarHBondContact O-CG2 3.28Å; Y689-V693 PolarHBondContact O-N 3.22Å
690	Y	87.8	Confident	80.9	Confident	58 Å²	58	65.9 Å²	65.9	23%	0.227	36%	0.355	C	S	.	.	H	α-helix	trans	-57.3	-45.2	178.3	178	-92.4	0	0	0	110.8	M683 H686 G687 L692 V693 Q694	M683-Y690 HydrophobicContact CE-CD2 3.64Å; M683-Y690 HydrophobicContact CE-CE2 3.86Å; M683-Y690 HydrophobicContact SD-CD2 3.96Å; H686-Y690 AromaticContact CE1-CE2 3.6Å; H686-Y690 AromaticContact CE1-CZ 3.76Å; H686-Y690 AromaticContact ND1-CD1 3.84Å; H686-Y690 AromaticContact ND1-CD2 3.56Å; H686-Y690 AromaticContact ND1-CE1 3.61Å; H686-Y690 AromaticContact ND1-CE2 3.32Å; H686-Y690 VanDerWaalsContact ND1-CE2 3.32Å; H686-Y690 WeakPolarHBondContact ND1-CE2 3.44Å; H686-Y690 AromaticContact ND1-CG 3.82Å; H686-Y690 AromaticContact ND1-CZ 3.35Å; H686-Y690 VanDerWaalsContact ND1-CZ 3.35Å; G687-Y690 WeakPolarHBondContact O-CB 3.35Å; G687-Y690 PolarHBondContact O-N 3.34Å; Y690-L692 VanDerWaalsContact C-N 3.34Å; Y690-L692 PolarHBondContact O-N 3.17Å; Y690-V693 PolarHBondContact O-N 2.88Å; Y690-V693 VanDerWaalsContact O-N 3.16Å; Y690-Q694 HydrophobicContact CD1-CG 3.87Å; Y690-Q694 HydrophobicContact CE1-CG 3.52Å; Y690-Q694 HydrophobicContact CE2-CG 4.29Å; Y690-Q694 HydrophobicContact CG-CG 4.39Å; Y690-Q694 WeakPolarHBondContact O-CB 3.29Å; Y690-Q694 VanDerWaalsContact O-CG 3.28Å; Y690-Q694 WeakPolarHBondContact O-CG 3.16Å; Y690-Q694 PolarHBondContact O-N 3.21Å; Y690-Q694 PolarHBondContact OH-NE2 3.49Å; Y690-Q694 VanDerWaalsContact OH-NE2 3.08Å
691	N	86.4	Confident	78.7	Confident	68 Å²	68	64.8 Å²	64.8	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-37.4	176.5	-70.6	-27.4	0	0	0	113.2	G687 Y688 Y689 R695	G687-N691 PolarHBondContact O-N 2.99Å; G687-N691 VanDerWaalsContact O-N 3.09Å; Y688-N691 PolarHBondContact O-N 3.43Å; Y689-N691 VanDerWaalsContact C-N 3.29Å; Y689-N691 PolarHBondContact O-N 3.28Å; N691-R695 VanDerWaalsContact O-CG 3.29Å; N691-R695 WeakPolarHBondContact O-CG 3.41Å; N691-R695 PolarHBondContact O-N 3.09Å
692	L	83.8	Confident	76.3	Confident	26 Å²	26	68.6 Å²	68.6	14%	0.136	36%	0.36	C	S	.	.	H	α-helix	trans	-66.3	-40.1	173.8	-72.6	176.7	0	0	0	112	V476 Q478 V667 Y688 Y689 Y690 Q696	V476-L692 HydrophobicContact CG1-CD1 3.9Å; Q478-L692 HydrophobicContact CG-CD2 4.43Å; V667-L692 HydrophobicContact CG1-CD1 4.48Å; Y688-L692 HydrophobicContact CD1-CD1 3.77Å; Y688-L692 HydrophobicContact CD1-CG 4.08Å; Y688-L692 HydrophobicContact CE1-CD1 3.68Å; Y688-L692 HydrophobicContact CE1-CD2 4.35Å; Y688-L692 HydrophobicContact CE1-CG 4.02Å; Y688-L692 WeakPolarHBondContact O-CG 3.48Å; Y688-L692 PolarHBondContact O-N 3.3Å; Y689-L692 WeakPolarHBondContact O-CB 3.48Å; Y689-L692 PolarHBondContact O-N 3.31Å; Y689-L692 VanDerWaalsContact O-N 3.11Å; Y690-L692 VanDerWaalsContact C-N 3.34Å; Y690-L692 PolarHBondContact O-N 3.17Å; L692-Q696 WeakPolarHBondContact O-CG 3.32Å; L692-Q696 PolarHBondContact O-N 3.18Å
693	V	84.9	Confident	73.9	Confident	2 Å²	2	79.4 Å²	79.4	1%	0.012	42%	0.418	C	S	.	.	H	α-helix	trans	-65.7	-49.9	178.3	176	0	0	0	0	110.6	L656 M683 Y689 Y690 R695 Q696 E697	L656-V693 HydrophobicContact CD1-CG1 4.09Å; L656-V693 HydrophobicContact CD2-CB 3.96Å; L656-V693 HydrophobicContact CD2-CG1 3.65Å; L656-V693 HydrophobicContact CD2-CG2 3.52Å; M683-V693 HydrophobicContact CE-CB 4.44Å; M683-V693 HydrophobicContact CE-CG1 3.95Å; M683-V693 HydrophobicContact SD-CB 3.87Å; M683-V693 HydrophobicContact SD-CG1 3.84Å; M683-V693 HydrophobicContact SD-CG2 3.75Å; Y689-V693 HydrophobicContact CD1-CG2 3.81Å; Y689-V693 HydrophobicContact CD2-CG2 4.45Å; Y689-V693 HydrophobicContact CE1-CG2 3.44Å; Y689-V693 VanDerWaalsContact CE1-CG2 3.44Å; Y689-V693 HydrophobicContact CE2-CG2 4.11Å; Y689-V693 HydrophobicContact CG-CG2 4.32Å; Y689-V693 WeakPolarHBondContact O-CG2 3.28Å; Y689-V693 PolarHBondContact O-N 3.22Å; Y690-V693 PolarHBondContact O-N 2.88Å; Y690-V693 VanDerWaalsContact O-N 3.16Å; V693-R695 VanDerWaalsContact C-N 3.31Å; V693-R695 PolarHBondContact O-N 3.16Å; V693-Q696 PolarHBondContact O-N 2.93Å; V693-E697 HydrophobicContact CG1-CG 4.3Å; V693-E697 PolarHBondContact O-N 3.07Å
694	Q	84.5	Confident	73.1	Confident	31 Å²	31	81.4 Å²	81.4	15%	0.145	43%	0.428	C	S	.	.	H	α-helix	trans	-55.4	-45.4	179.2	-73.2	-71.5	-30.7	0	0	111.9	Y690 Q696 E697 G698 C699 V701	Y690-Q694 HydrophobicContact CD1-CG 3.87Å; Y690-Q694 HydrophobicContact CE1-CG 3.52Å; Y690-Q694 HydrophobicContact CE2-CG 4.29Å; Y690-Q694 HydrophobicContact CG-CG 4.39Å; Y690-Q694 WeakPolarHBondContact O-CB 3.29Å; Y690-Q694 VanDerWaalsContact O-CG 3.28Å; Y690-Q694 WeakPolarHBondContact O-CG 3.16Å; Y690-Q694 PolarHBondContact O-N 3.21Å; Y690-Q694 PolarHBondContact OH-NE2 3.49Å; Y690-Q694 VanDerWaalsContact OH-NE2 3.08Å; Q694-Q696 VanDerWaalsContact C-N 3.26Å; Q694-Q696 PolarHBondContact O-N 3.16Å; Q694-E697 PolarHBondContact O-N 3.37Å; Q694-G698 PolarHBondContact O-N 3.16Å; Q694-C699 PolarHBondContact O-N 3.28Å; Q694-V701 HydrophobicContact CB-CG2 3.84Å
695	R	80.6	Confident	72.4	Confident	171 Å²	171	82 Å²	82	65%	0.645	42%	0.421	S	S	*	.	H	α-helix	trans	-61.4	-32.3	176.4	-75	176.7	-178	-172.8	0.6	113.4	N691 V693	N691-R695 VanDerWaalsContact O-CG 3.29Å; N691-R695 WeakPolarHBondContact O-CG 3.41Å; N691-R695 PolarHBondContact O-N 3.09Å; V693-R695 VanDerWaalsContact C-N 3.31Å; V693-R695 PolarHBondContact O-N 3.16Å
696	Q	74.2	Confident	71.5	Confident	75 Å²	75	80.2 Å²	80.2	35%	0.35	41%	0.41	S	S	.	.	H	α-helix	trans	-83.1	-30.8	178.5	-73.7	-171.3	6.4	0	0	113.3	H654 L656 L692 V693 Q694 G698	H654-Q696 PolarHBondContact CE1-NE2 2.62Å; H654-Q696 VanDerWaalsContact CE1-NE2 3.34Å; H654-Q696 PolarHBondContact ND1-NE2 3.19Å; H654-Q696 VanDerWaalsContact O-CD 3.27Å; H654-Q696 PolarHBondContact O-NE2 2.81Å; H654-Q696 PolarHBondContact O-OE1 3.23Å; H654-Q696 VanDerWaalsContact O-OE1 3.07Å; L656-Q696 HydrophobicContact CD1-CB 3.67Å; L656-Q696 HydrophobicContact CG-CB 4.45Å; L692-Q696 WeakPolarHBondContact O-CG 3.32Å; L692-Q696 PolarHBondContact O-N 3.18Å; V693-Q696 PolarHBondContact O-N 2.93Å; Q694-Q696 VanDerWaalsContact C-N 3.26Å; Q694-Q696 PolarHBondContact O-N 3.16Å; Q696-G698 PolarHBondContact O-N 3.34Å
697	E	78.1	Confident	70.7	Confident	91 Å²	91	77.9 Å²	77.9	43%	0.425	40%	0.402	S	S	.	.	H	α-helix	trans	-76.1	-5.4	174.4	-68.1	-174.7	166	0	0	112.5	L656 R660 V693 Q694 C699	L656-E697 HydrophobicContact CD1-CG 3.83Å; R660-E697 IonicContact CZ-OE1 3.96Å; R660-E697 IonicContact NH2-OE1 2.7Å; R660-E697 PolarHBondContact NH2-OE1 3.28Å; V693-E697 HydrophobicContact CG1-CG 4.3Å; V693-E697 PolarHBondContact O-N 3.07Å; Q694-E697 PolarHBondContact O-N 3.37Å; E697-C699 VanDerWaalsContact C-N 3.26Å; E697-C699 PolarHBondContact O-N 3.49Å
698	G	64.4	Low	69.7	Low	57 Å²	57	81.8 Å²	81.8	59%	0.588	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	18.3	179.4	0	0	0	0	0	113	Q694 Q696 D700	Q694-G698 PolarHBondContact O-N 3.16Å; Q696-G698 PolarHBondContact O-N 3.34Å; G698-D700 PolarHBondContact O-N 3.08Å
699	C	53.7	Low	68.6	Low	62 Å²	62	83.8 Å²	83.8	42%	0.419	43%	0.432	S	S	.	.			trans	-79	104.6	168.5	-69.4	0	0	0	0	107.6	Q694 E697 V701	Q694-C699 PolarHBondContact O-N 3.28Å; E697-C699 VanDerWaalsContact C-N 3.26Å; E697-C699 PolarHBondContact O-N 3.49Å; C699-V701 PolarHBondContact O-N 3.26Å
700	D	40.1	Very low	67.2	Low	136 Å²	136	89.6 Å²	89.6	73%	0.727	46%	0.462	S	S	*	.			trans	-53.2	107.6	171.7	-73.1	-36.6	0	0	0	109.1	G698 F702	G698-D700 PolarHBondContact O-N 3.08Å; D700-F702 VanDerWaalsContact C-N 3.29Å; D700-F702 HydrophobicContact CB-CD2 4.2Å; D700-F702 HydrophobicContact CB-CE2 3.98Å; D700-F702 PolarHBondContact O-N 2.94Å
701	V	43.3	Very low	65.6	Low	67 Å²	67	92 Å²	92	41%	0.406	48%	0.48	S	S	.	.			trans	-73	93	166.1	-177.3	0	0	0	0	105.3	Q694 C699 D703	Q694-V701 HydrophobicContact CB-CG2 3.84Å; C699-V701 PolarHBondContact O-N 3.26Å; V701-D703 PolarHBondContact O-N 3.02Å
702	F	40.9	Very low	63.8	Low	183 Å²	183	94 Å²	94	80%	0.803	49%	0.489	S	S	*	.			trans	-66.4	112.1	160.4	-75.7	-86	0	0	0	106.6	D700	D700-F702 VanDerWaalsContact C-N 3.29Å; D700-F702 HydrophobicContact CB-CD2 4.2Å; D700-F702 HydrophobicContact CB-CE2 3.98Å; D700-F702 PolarHBondContact O-N 2.94Å
703	D	37.5	Very low	62	Low	227 Å²	227	100.2 Å²	100.2	100%	1.214	52%	0.521	S	S	*	.			trans	-55.7	0	171.2	-88.9	-24.1	0	0	0	111.9	V701	V701-D703 PolarHBondContact O-N 3.02Å

Retrieved 703 of 703 residues in 254.7 ms (Link to these results)

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