G4VJ99_SCHMA Loading...

Putative heat shock protein

AlphaFold DB , UniProt , Accession G4VJ99, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 704 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.9	Very low	37.3	Very low	202 Å²	202	131.9 Å²	131.9	100%	0.995	68%	0.682	S	S	*	*				0	-49.3	0	-97.8	-169.2	157.2	0	0	113.6	T3 L4 C5	M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.22Å; M1-L4 PolarHBondContact O-N 3.36Å; M1-L4 VanDerWaalsContact O-N 3.15Å; M1-C5 PolarHBondContact O-N 3.06Å; M1-C5 VanDerWaalsContact O-N 3.14Å; M1-C5 PolarHBondContact O-SG 3.45Å
2	S	31.8	Very low	37.2	Very low	91 Å²	91	130.4 Å²	130.4	64%	0.636	69%	0.687	S	S	*	*	H	α-helix	trans	-63.1	-27.8	179.9	65	0	0	0	0	114.8	R6	S2-R6 PolarHBondContact O-N 3.28Å
3	T	35.3	Very low	37	Very low	102 Å²	102	125 Å²	125	63%	0.626	67%	0.666	S	S	*	*	H	α-helix	trans	-75.2	-33.4	174.6	-38.8	0	0	0	0	112.9	M1 R6 I7	M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.22Å; T3-R6 PolarHBondContact O-N 2.86Å; T3-I7 PolarHBondContact O-N 3.11Å
4	L	33	Very low	37	Very low	118 Å²	118	123.2 Å²	123.2	62%	0.618	66%	0.662	S	S	*	*	H	α-helix	trans	-69.7	-38.2	173.7	-110.3	101.3	0	0	0	111.2	M1 R6 I7 L8	M1-L4 PolarHBondContact O-N 3.36Å; M1-L4 VanDerWaalsContact O-N 3.15Å; L4-R6 VanDerWaalsContact C-N 3.28Å; L4-R6 PolarHBondContact O-N 2.97Å; L4-I7 PolarHBondContact O-N 2.7Å; L4-L8 WeakPolarHBondContact O-CG 3.46Å; L4-L8 PolarHBondContact O-N 3.24Å; L4-L8 VanDerWaalsContact O-N 3.11Å
5	C	38.3	Very low	36.6	Very low	88 Å²	88	128.3 Å²	128.3	60%	0.595	68%	0.676	S	S	*	*	H	α-helix	trans	-66.7	-26.2	176.6	-64	0	0	0	0	113.3	M1 G9	M1-C5 PolarHBondContact O-N 3.06Å; M1-C5 VanDerWaalsContact O-N 3.14Å; M1-C5 PolarHBondContact O-SG 3.45Å; C5-G9 PolarHBondContact O-N 3.37Å
6	R	40.9	Very low	36.4	Very low	207 Å²	207	131.1 Å²	131.1	78%	0.781	68%	0.675	S	S	*	*	H	α-helix	trans	-78.9	-25	175	-79.2	-177	179.6	171.9	0.6	113.9	S2 T3 L4	S2-R6 PolarHBondContact O-N 3.28Å; T3-R6 PolarHBondContact O-N 2.86Å; L4-R6 VanDerWaalsContact C-N 3.28Å; L4-R6 PolarHBondContact O-N 2.97Å
7	I	41.5	Very low	36.3	Very low	108 Å²	108	126.6 Å²	126.6	55%	0.554	65%	0.652	S	S	*	*	H	α-helix	trans	-79.5	-39.9	174.9	-65.1	169.9	0	0	0	110	T3 L4 G9	T3-I7 PolarHBondContact O-N 3.11Å; L4-I7 PolarHBondContact O-N 2.7Å; I7-G9 PolarHBondContact O-N 3.07Å
8	L	36.9	Very low	36.1	Very low	129 Å²	129	129.4 Å²	129.4	68%	0.675	66%	0.659	S	S	*	*	H	α-helix	trans	-74.8	-21.8	179.7	-66.2	168.6	0	0	0	113.5	L4 R10	L4-L8 WeakPolarHBondContact O-CG 3.46Å; L4-L8 PolarHBondContact O-N 3.24Å; L4-L8 VanDerWaalsContact O-N 3.11Å; L8-R10 VanDerWaalsContact C-N 3.31Å; L8-R10 PolarHBondContact O-N 3.41Å
9	G	40.7	Very low	36.2	Very low	63 Å²	63	128.7 Å²	128.7	65%	0.649	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-2.9	175.5	0	0	0	0	0	116	C5 I7	C5-G9 PolarHBondContact O-N 3.37Å; I7-G9 PolarHBondContact O-N 3.07Å
10	R	42	Very low	36.2	Very low	213 Å²	213	127.5 Å²	127.5	80%	0.804	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	-0.2	-179.5	-98.6	-176.9	176.9	-178	-1	114.8	L8	L8-R10 VanDerWaalsContact C-N 3.31Å; L8-R10 PolarHBondContact O-N 3.41Å
11	F	35.6	Very low	36.5	Very low	130 Å²	130	125 Å²	125	57%	0.57	63%	0.632	S	S	*	*			trans	-128.1	71	-178.3	-69.4	-82.8	0	0	0	113.1	S13 V14	F11-S13 PolarHBondContact O-N 3.47Å; F11-S13 VanDerWaalsContact O-N 3.16Å; F11-V14 HydrophobicContact CB-CG2 3.9Å
12	P	36	Very low	36.9	Very low	114 Å²	114	117.8 Å²	117.8	74%	0.74	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-67.1	-10	172.9	-12.1	28.1	0	0	0	113.1
13	S	35.7	Very low	37.1	Very low	60 Å²	60	122.2 Å²	122.2	42%	0.42	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-81.7	-10.3	-176.1	51.9	0	0	0	0	114.7	F11 F15 W16	F11-S13 PolarHBondContact O-N 3.47Å; F11-S13 VanDerWaalsContact O-N 3.16Å; S13-F15 VanDerWaalsContact C-N 3.25Å; S13-F15 PolarHBondContact O-N 3.03Å; S13-W16 PolarHBondContact O-N 2.88Å; S13-W16 VanDerWaalsContact O-N 3.13Å
14	V	35.8	Very low	37.5	Very low	100 Å²	100	121 Å²	121	61%	0.606	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-70.2	-23.2	-176.3	-178.5	0	0	0	0	112.2	F11	F11-V14 HydrophobicContact CB-CG2 3.9Å
15	F	32.2	Very low	37.8	Very low	199 Å²	199	117.2 Å²	117.2	87%	0.873	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-90.7	-7.8	173.7	-90.8	-87.6	0	0	0	114.3	S13	S13-F15 VanDerWaalsContact C-N 3.25Å; S13-F15 PolarHBondContact O-N 3.03Å
16	W	32	Very low	38	Very low	173 Å²	173	114 Å²	114	66%	0.655	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-15.6	177.3	-111	85.3	0	0	0	113.2	S13 F18 K19	S13-W16 PolarHBondContact O-N 2.88Å; S13-W16 VanDerWaalsContact O-N 3.13Å; W16-F18 PolarHBondContact O-N 3.32Å; W16-K19 PolarHBondContact O-N 2.82Å
17	N	35.4	Very low	37.9	Very low	55 Å²	55	107.6 Å²	107.6	29%	0.294	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-79.2	-17.7	-171.1	-73.7	-8.3	0	0	0	114.6	K19 Q20 D21	N17-K19 PolarHBondContact O-N 3.2Å; N17-Q20 PolarHBondContact O-N 2.73Å; N17-Q20 PolarHBondContact OD1-OE1 2.92Å; N17-D21 PolarHBondContact O-N 2.94Å
18	F	33.7	Very low	37.7	Very low	177 Å²	177	107.1 Å²	107.1	78%	0.776	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-63.9	-21	170.3	-144.7	-94.8	0	0	0	112.3	W16	W16-F18 PolarHBondContact O-N 3.32Å
19	K	36.5	Very low	37.7	Very low	116 Å²	116	109.5 Å²	109.5	50%	0.504	54%	0.542	S	S	.	.	G	3₁₀ helix	trans	-84.7	-15.6	170.8	-102.2	-172.8	175.8	-172.7	0	113.4	W16 N17	W16-K19 PolarHBondContact O-N 2.82Å; N17-K19 PolarHBondContact O-N 3.2Å
20	Q	37.1	Very low	37.7	Very low	105 Å²	105	110.6 Å²	110.6	49%	0.491	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-31.3	179.7	-86.9	-171.6	-15	0	0	113.2	N17 V22 R23	N17-Q20 PolarHBondContact O-N 2.73Å; N17-Q20 PolarHBondContact OD1-OE1 2.92Å; Q20-V22 PolarHBondContact O-N 3.35Å; Q20-V22 VanDerWaalsContact O-N 3.1Å; Q20-R23 PolarHBondContact O-N 3.11Å
21	D	42.5	Very low	37.5	Very low	76 Å²	76	104.8 Å²	104.8	41%	0.406	52%	0.518	S	S	.	.	H	α-helix	trans	-61.5	-20.8	177.3	-71.8	-34.5	0	0	0	113.1	N17	N17-D21 PolarHBondContact O-N 2.94Å
22	V	41.2	Very low	37.3	Very low	49 Å²	49	109.1 Å²	109.1	30%	0.297	53%	0.53	S	S	.	.	H	α-helix	trans	-73.8	-33	171.8	-176.7	0	0	0	0	111.4	Q20 T24 L25 C26 T615	Q20-V22 PolarHBondContact O-N 3.35Å; Q20-V22 VanDerWaalsContact O-N 3.1Å; V22-T24 VanDerWaalsContact C-N 3.34Å; V22-T24 PolarHBondContact O-N 3.41Å; V22-L25 PolarHBondContact O-N 3.05Å; V22-C26 HydrophobicContact CG1-CB 3.97Å; V22-C26 WeakPolarHBondContact CG1-SG 2.68Å; V22-C26 VanDerWaalsContact O-CA 3.28Å; V22-C26 WeakPolarHBondContact O-CA 3.45Å; V22-C26 WeakPolarHBondContact O-CB 3.46Å; V22-C26 PolarHBondContact O-N 3.5Å; V22-C26 PolarHBondContact O-SG 3.01Å; V22-T615 HydrophobicContact CG1-CG2 3.66Å
23	R	37.1	Very low	37	Very low	185 Å²	185	112.3 Å²	112.3	70%	0.698	54%	0.535	S	S	*	.	H	α-helix	trans	-71.8	-23.2	-174.6	-75	-175.6	176.5	178.1	-0.6	114.6	Q20 C26 N27	Q20-R23 PolarHBondContact O-N 3.11Å; R23-C26 CarbonylContact O-C 3.56Å; R23-N27 PolarHBondContact O-N 3.48Å
24	T	42.9	Very low	36.8	Very low	76 Å²	76	117.2 Å²	117.2	47%	0.466	55%	0.551	S	S	.	*	H	α-helix	trans	-81.1	-31.9	-179.8	-22.5	0	0	0	0	111.7	V22	V22-T24 VanDerWaalsContact C-N 3.34Å; V22-T24 PolarHBondContact O-N 3.41Å
25	L	40.7	Very low	36.4	Very low	39 Å²	39	118 Å²	118	20%	0.204	56%	0.562	C	S	.	*	H	α-helix	trans	-86	-25.6	168.5	-78	157.8	0	0	0	112.5	V22 E441	V22-L25 PolarHBondContact O-N 3.05Å; L25-E441 HydrophobicContact CD2-CB 4.17Å; L25-E441 HydrophobicContact CD2-CG 4.25Å
26	C	41	Very low	36.1	Very low	20 Å²	20	113.9 Å²	113.9	14%	0.135	55%	0.548	C	S	.	.			trans	-114.2	50.7	-177.1	-49.5	0	0	0	0	111.1	V22 R23 P28 H611	V22-C26 HydrophobicContact CG1-CB 3.97Å; V22-C26 WeakPolarHBondContact CG1-SG 2.68Å; V22-C26 VanDerWaalsContact O-CA 3.28Å; V22-C26 WeakPolarHBondContact O-CA 3.45Å; V22-C26 WeakPolarHBondContact O-CB 3.46Å; V22-C26 PolarHBondContact O-N 3.5Å; V22-C26 PolarHBondContact O-SG 3.01Å; R23-C26 CarbonylContact O-C 3.56Å; C26-P28 WeakPolarHBondContact O-CD 3.37Å; C26-H611 PolarHBondContact SG-NE2 2.69Å
27	N	39	Very low	35.9	Very low	73 Å²	73	110.9 Å²	110.9	39%	0.39	55%	0.554	S	S	.	*			trans	-67.3	115.8	163.2	-165.6	-19.4	0	0	0	107	R23 K29 L30	R23-N27 PolarHBondContact O-N 3.48Å; N27-K29 PolarHBondContact O-N 3.3Å; N27-K29 PolarHBondContact OD1-N 2.89Å; N27-L30 HydrophobicContact CB-CD1 4.02Å; N27-L30 HydrophobicContact CB-CG 4.46Å; N27-L30 WeakPolarHBondContact O-CB 3.47Å; N27-L30 PolarHBondContact O-N 3.49Å
28	P	37.6	Very low	35.5	Very low	98 Å²	98	116.8 Å²	116.8	64%	0.636	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-7.5	-178.6	22.8	-31.3	0	0	0	113.4	C26	C26-P28 WeakPolarHBondContact O-CD 3.37Å
29	K	38	Very low	35.5	Very low	178 Å²	178	112.4 Å²	112.4	77%	0.774	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	-22	168.2	-68.8	-174.6	175.6	-178.6	0	114.2	N27	N27-K29 PolarHBondContact O-N 3.3Å; N27-K29 PolarHBondContact OD1-N 2.89Å
30	L	40.5	Very low	35.3	Very low	86 Å²	86	112.6 Å²	112.6	45%	0.45	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.4	-20.7	178.9	-78.4	161.7	0	0	0	113.1	N27	N27-L30 HydrophobicContact CB-CD1 4.02Å; N27-L30 HydrophobicContact CB-CG 4.46Å; N27-L30 WeakPolarHBondContact O-CB 3.47Å; N27-L30 PolarHBondContact O-N 3.49Å
31	L	37.9	Very low	35.2	Very low	92 Å²	92	114.3 Å²	114.3	48%	0.482	59%	0.588	S	S	.	*	S	Bend	trans	-92.7	3.1	178.7	-77.2	158	0	0	0	113.9	Q33	L31-Q33 PolarHBondContact O-N 3.08Å
32	R	31.4	Very low	34.9	Very low	221 Å²	221	119.4 Å²	119.4	83%	0.834	61%	0.607	S	S	*	*			trans	-97	60.8	170	-73.8	-171.3	-177	-174.5	0.3	110.9
33	Q	29.7	Very low	35	Very low	181 Å²	181	126 Å²	126	85%	0.846	63%	0.631	S	S	*	*			trans	-115.2	64.9	151.1	-87.4	-170.4	-22.2	0	0	107.6	L31 S35	L31-Q33 PolarHBondContact O-N 3.08Å; Q33-S35 PolarHBondContact O-N 3.49Å
34	E	30.5	Very low	35.1	Very low	162 Å²	162	123 Å²	123	76%	0.757	63%	0.634	S	S	*	*			trans	-63.9	120.3	151.5	-79.4	-179.8	163	0	0	106.3	L36	E34-L36 PolarHBondContact O-N 2.8Å
35	S	27.4	Very low	35.4	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	65%	0.646	S	S	*	*			trans	-60.1	71.2	156.6	46.4	0	0	0	0	108.9	Q33 S37	Q33-S35 PolarHBondContact O-N 3.49Å; S35-S37 PolarHBondContact O-N 3.32Å
36	L	26.5	Very low	35.8	Very low	111 Å²	111	131.4 Å²	131.4	58%	0.581	68%	0.675	S	S	*	*			trans	-64.7	88.5	153.7	-87.5	152.4	0	0	0	105.5	E34 Y38	E34-L36 PolarHBondContact O-N 2.8Å; L36-Y38 HydrophobicContact CB-CD2 3.9Å; L36-Y38 HydrophobicContact CB-CE2 4.05Å; L36-Y38 HydrophobicContact CD1-CE2 4.28Å; L36-Y38 HydrophobicContact CD2-CE2 4.23Å; L36-Y38 HydrophobicContact CG-CE2 4.43Å; L36-Y38 PolarHBondContact O-N 3.14Å
37	S	27	Very low	36.3	Very low	111 Å²	111	137.1 Å²	137.1	78%	0.776	70%	0.704	S	S	*	*			trans	-55.7	84.9	147.8	49.1	0	0	0	0	106.4	S35 S39	S35-S37 PolarHBondContact O-N 3.32Å; S37-S39 PolarHBondContact O-N 2.97Å
38	Y	28	Very low	36.8	Very low	178 Å²	178	142.2 Å²	142.2	70%	0.698	73%	0.725	S	S	*	*			trans	-63.4	90.1	156.4	-91.7	-87.5	0	0	0	105.1	L36 T40	L36-Y38 HydrophobicContact CB-CD2 3.9Å; L36-Y38 HydrophobicContact CB-CE2 4.05Å; L36-Y38 HydrophobicContact CD1-CE2 4.28Å; L36-Y38 HydrophobicContact CD2-CE2 4.23Å; L36-Y38 HydrophobicContact CG-CE2 4.43Å; L36-Y38 PolarHBondContact O-N 3.14Å; Y38-T40 VanDerWaalsContact C-N 3.31Å; Y38-T40 PolarHBondContact O-N 3.48Å
39	S	32.6	Very low	37.7	Very low	85 Å²	85	139.5 Å²	139.5	59%	0.594	72%	0.715	S	S	*	*			trans	-46.8	108.2	149.7	142.5	0	0	0	0	105.3	S37 N41	S37-S39 PolarHBondContact O-N 2.97Å; S39-N41 PolarHBondContact O-N 3.02Å
40	T	32	Very low	39	Very low	120 Å²	120	140.1 Å²	140.1	74%	0.736	72%	0.72	S	S	*	*			trans	-68.7	66.2	170.7	47.3	0	0	0	0	109	Y38	Y38-T40 VanDerWaalsContact C-N 3.31Å; Y38-T40 PolarHBondContact O-N 3.48Å
41	N	35.2	Very low	40.8	Very low	142 Å²	142	145.8 Å²	145.8	76%	0.759	74%	0.742	S	S	*	*			trans	-98.4	59.3	154.1	-83.9	-17.8	0	0	0	106.7	S39 K43	S39-N41 PolarHBondContact O-N 3.02Å; N41-K43 PolarHBondContact O-N 3.26Å
42	F	37	Very low	43	Very low	182 Å²	182	149.3 Å²	149.3	80%	0.798	76%	0.755	S	S	*	*			trans	-61.8	99.6	148.3	-90.3	-87	0	0	0	104.8	T44	F42-T44 VanDerWaalsContact C-N 3.32Å; F42-T44 PolarHBondContact O-N 3.5Å
43	K	42.9	Very low	45.5	Very low	187 Å²	187	143.1 Å²	143.1	81%	0.813	74%	0.742	S	S	*	*			trans	-50.3	114.2	148.1	-89.3	-178.5	174	178.3	0	104.1	N41 V45	N41-K43 PolarHBondContact O-N 3.26Å; K43-V45 PolarHBondContact O-N 3.42Å
44	T	39.6	Very low	48.3	Very low	124 Å²	124	141.6 Å²	141.6	76%	0.761	74%	0.738	S	S	*	*			trans	-53.3	90.5	161.5	37	0	0	0	0	106.2	F42 E46	F42-T44 VanDerWaalsContact C-N 3.32Å; F42-T44 PolarHBondContact O-N 3.5Å; T44-E46 PolarHBondContact O-N 3.12Å; T44-E46 VanDerWaalsContact O-N 3.14Å
45	V	48.6	Very low	51.2	Low	119 Å²	119	141 Å²	141	72%	0.721	74%	0.739	S	S	*	*			trans	-68.8	101	149.8	-174.4	0	0	0	0	101.6	K43 D47	K43-V45 PolarHBondContact O-N 3.42Å; V45-D47 HydrophobicContact CG1-CB 4Å; V45-D47 PolarHBondContact O-N 2.92Å
46	E	49.2	Very low	54	Low	172 Å²	172	140.1 Å²	140.1	80%	0.804	73%	0.725	S	S	*	*			trans	-62.4	69.6	157.6	-70.3	178	171	0	0	106.5	T44 E48	T44-E46 PolarHBondContact O-N 3.12Å; T44-E46 VanDerWaalsContact O-N 3.14Å; E46-E48 PolarHBondContact O-N 3.2Å; E46-E48 VanDerWaalsContact O-N 3.1Å
47	D	51.3	Low	56.9	Low	139 Å²	139	142.2 Å²	142.2	74%	0.743	74%	0.737	S	S	*	*			trans	-78.1	84.7	158	-150.6	5.4	0	0	0	102.9	V45 G49	V45-D47 HydrophobicContact CG1-CB 4Å; V45-D47 PolarHBondContact O-N 2.92Å; D47-G49 PolarHBondContact O-N 3.08Å
48	E	50.7	Low	59.9	Low	180 Å²	180	142.5 Å²	142.5	84%	0.841	73%	0.729	S	S	*	*			trans	-64.7	56.6	156.2	-68.5	-159.7	160	0	0	108.2	E46 H50	E46-E48 PolarHBondContact O-N 3.2Å; E46-E48 VanDerWaalsContact O-N 3.1Å; E48-H50 PolarHBondContact O-N 3.33Å
49	G	55.6	Low	62.9	Low	41 Å²	41	141.3 Å²	141.3	42%	0.423	73%	0.73	S	S	.	*			trans	-57.3	115.9	161.5	0	0	0	0	0	105.2	D47 K51	D47-G49 PolarHBondContact O-N 3.08Å; G49-K51 PolarHBondContact O-N 3.37Å
50	H	65.1	Low	65.5	Low	191 Å²	191	148 Å²	148	88%	0.884	74%	0.743	S	S	*	*			trans	-36.4	100.5	-179.7	-86.8	-62.8	0	0	0	110.5	E48 H52	E48-H50 PolarHBondContact O-N 3.33Å; H50-H52 VanDerWaalsContact C-N 3.27Å; H50-H52 PolarHBondContact O-N 2.71Å
51	K	78.1	Confident	68	Low	206 Å²	206	148.1 Å²	148.1	90%	0.896	75%	0.748	S	S	*	*			trans	-71.8	92	172	-73.8	-176	-178.2	174	0	106.4	G49 T53	G49-K51 PolarHBondContact O-N 3.37Å; K51-T53 PolarHBondContact O-N 3.15Å
52	H	83.9	Confident	70.5	Confident	165 Å²	165	147 Å²	147	76%	0.764	75%	0.75	S	S	*	*			trans	-76.8	107.1	171.8	-178.5	65.5	0	0	0	108.5	H50	H50-H52 VanDerWaalsContact C-N 3.27Å; H50-H52 PolarHBondContact O-N 2.71Å
53	T	85.2	Confident	72.9	Confident	92 Å²	92	141.5 Å²	141.5	56%	0.564	75%	0.745	S	S	*	*			trans	-117.6	139.9	164.6	-178.9	0	0	0	0	108.5	K51 I55	K51-T53 PolarHBondContact O-N 3.15Å; T53-I55 WeakPolarHBondContact OG1-CB 3.4Å; T53-I55 PolarHBondContact OG1-N 3.46Å
54	I	88.9	Confident	75	Confident	149 Å²	149	138.4 Å²	138.4	76%	0.764	74%	0.743	S	S	*	*			trans	-96.6	-3.4	168.6	61.3	169.2	0	0	0	111.7	D56	I54-D56 PolarHBondContact O-N 3.15Å
55	I	90.7	Very high	77.3	Confident	149 Å²	149	142 Å²	142	76%	0.764	75%	0.748	S	S	*	*			trans	-78.2	112.5	177.5	-54.1	173.8	0	0	0	107.4	T53	T53-I55 WeakPolarHBondContact OG1-CB 3.4Å; T53-I55 PolarHBondContact OG1-N 3.46Å
56	D	85.9	Confident	79.2	Confident	100 Å²	100	143.3 Å²	143.3	54%	0.535	75%	0.75	S	S	.	*			trans	-137.3	145.6	172.6	-163.4	-0.4	0	0	0	108	I54 N58	I54-D56 PolarHBondContact O-N 3.15Å; D56-N58 PolarHBondContact O-N 3.01Å; D56-N58 PolarHBondContact OD2-ND2 3.08Å
57	D	87.6	Confident	81.1	Confident	155 Å²	155	145.2 Å²	145.2	83%	0.829	76%	0.756	S	S	*	*	S	Bend	trans	-86.4	54.6	-176.1	-165.8	21	0	0	0	110.4
58	N	89.4	Confident	83	Confident	117 Å²	117	144.4 Å²	144.4	63%	0.626	76%	0.755	S	S	*	*			trans	-95.8	-13.5	-172.6	-78.3	-31.4	0	0	0	113.2	D56 R60	D56-N58 PolarHBondContact O-N 3.01Å; D56-N58 PolarHBondContact OD2-ND2 3.08Å; N58-R60 PolarHBondContact O-N 2.84Å
59	E	90.7	Very high	84.8	Confident	153 Å²	153	138.7 Å²	138.7	72%	0.715	75%	0.745	S	S	*	*			trans	-70.5	121.7	-177.7	-63	81.9	177.8	0	0	111.5
60	R	87.2	Confident	86.3	Confident	226 Å²	226	147.2 Å²	147.2	85%	0.853	77%	0.771	S	S	*	*			trans	-113.3	126.1	172.2	-62.6	-175.3	-176.3	-173.3	1.5	110	N58 C62	N58-R60 PolarHBondContact O-N 2.84Å; R60-C62 PolarHBondContact O-N 3.13Å
61	S	85.6	Confident	87.3	Confident	121 Å²	121	147 Å²	147	85%	0.846	77%	0.77	S	S	*	*			trans	-66.1	124.8	172.4	-64.9	0	0	0	0	110.4
62	C	86.4	Confident	87.6	Confident	120 Å²	120	140.6 Å²	140.6	81%	0.811	76%	0.756	S	S	*	*			trans	-119.3	140.3	177.4	-68.9	0	0	0	0	110.5	R60	R60-C62 PolarHBondContact O-N 3.13Å
63	G	89.1	Confident	87.6	Confident	66 Å²	66	137.8 Å²	137.8	68%	0.68	74%	0.743	S	S	*	*	S	Bend	trans	90	176	178.2	0	0	0	0	0	115
64	P	86.3	Confident	87.5	Confident	121 Å²	121	136.9 Å²	136.9	79%	0.786	74%	0.738	S	S	*	*			trans	-71.5	140.6	179.8	29.2	-33.4	0	0	0	111.4
65	K	87.2	Confident	87.2	Confident	200 Å²	200	135 Å²	135	87%	0.87	73%	0.726	S	S	*	*			trans	-73.4	126.9	174.6	-64.5	-177.2	-179.8	-177.7	0	110
66	I	89.7	Confident	86.9	Confident	147 Å²	147	133.5 Å²	133.5	75%	0.754	71%	0.714	S	S	*	*			trans	-107.2	125.5	174.3	-56.4	174.3	0	0	0	108.2	V68	I66-V68 HydrophobicContact CG2-CG2 3.93Å
67	K	88.3	Confident	86.8	Confident	212 Å²	212	131.9 Å²	131.9	92%	0.922	70%	0.704	S	S	*	*			trans	-89.6	119.4	172.2	-72	-175.5	179.1	-179.6	0	109
68	V	90.7	Very high	86.6	Confident	121 Å²	121	125.4 Å²	125.4	73%	0.733	67%	0.67	S	S	*	*			trans	-118.6	132.3	174.5	-172.7	0	0	0	0	107.5	I66	I66-V68 HydrophobicContact CG2-CG2 3.93Å
69	G	88.8	Confident	86.4	Confident	61 Å²	61	123.3 Å²	123.3	63%	0.629	66%	0.659	S	S	*	*			trans	-75	149.6	174.7	0	0	0	0	0	111.2
70	F	88.5	Confident	86.1	Confident	219 Å²	219	120.3 Å²	120.3	96%	0.961	65%	0.646	S	S	*	*			trans	-63	142.1	173.7	-69.1	-82.2	0	0	0	110.9
71	Q	86.1	Confident	85.9	Confident	186 Å²	186	110 Å²	110	87%	0.869	61%	0.608	S	S	*	*			trans	-111.7	157.5	173.4	-65	-179.1	-12.1	0	0	109.6
72	A	84.3	Confident	85.6	Confident	73 Å²	73	105.4 Å²	105.4	60%	0.603	58%	0.577	S	S	*	*			trans	-127.2	137.1	177.9	0	0	0	0	0	110.4	T74 L77	A72-T74 PolarHBondContact O-N 3.31Å; A72-L77 HydrophobicContact CB-CD1 3.9Å
73	E	84.1	Confident	85.4	Confident	105 Å²	105	106.5 Å²	106.5	49%	0.491	57%	0.568	S	S	.	*			trans	-89.8	89	175.3	-165	169.8	168.9	0	0	109	Q75 K76 L77	E73-Q75 VanDerWaalsContact C-N 3.25Å; E73-Q75 PolarHBondContact O-N 2.8Å; E73-Q75 VanDerWaalsContact O-N 3.17Å; E73-K76 HydrophobicContact CB-CB 4.3Å; E73-K76 HydrophobicContact CB-CD 4.5Å; E73-K76 HydrophobicContact CB-CG 4.48Å; E73-K76 VanDerWaalsContact CD-CD 3.41Å; E73-K76 HydrophobicContact CG-CB 4.27Å; E73-K76 HydrophobicContact CG-CD 4.15Å; E73-K76 HydrophobicContact CG-CG 4Å; E73-K76 PolarHBondContact O-N 2.76Å; E73-K76 WeakPolarHBondContact OE1-CE 3.24Å; E73-K76 IonicContact OE1-NZ 2.71Å; E73-K76 PolarHBondContact OE1-NZ 3.09Å; E73-K76 VanDerWaalsContact OE2-CD 3.27Å; E73-K76 WeakPolarHBondContact OE2-CD 3.16Å; E73-K76 VanDerWaalsContact OE2-CE 3.28Å; E73-K76 WeakPolarHBondContact OE2-CE 3.37Å; E73-K76 IonicContact OE2-NZ 2.86Å; E73-K76 PolarHBondContact OE2-NZ 2.63Å; E73-L77 PolarHBondContact O-N 3.14Å
74	T	81.5	Confident	85.1	Confident	74 Å²	74	107.7 Å²	107.7	45%	0.454	57%	0.566	S	S	.	*	H	α-helix	trans	-51.4	-41.7	-171.3	-50.9	0	0	0	0	113.1	A72 K76 L77 L78 I159	A72-T74 PolarHBondContact O-N 3.31Å; T74-K76 PolarHBondContact O-N 3.43Å; T74-L77 PolarHBondContact O-N 3.18Å; T74-L78 PolarHBondContact O-N 2.65Å; T74-I159 HydrophobicContact CG2-CD1 3.74Å
75	Q	82.6	Confident	85	Confident	110 Å²	110	103.3 Å²	103.3	51%	0.514	54%	0.535	S	S	.	.	H	α-helix	trans	-62.2	-44.3	178.7	-68.2	179.9	-2.6	0	0	112.1	E73 L77 L78 D79 N226	E73-Q75 VanDerWaalsContact C-N 3.25Å; E73-Q75 PolarHBondContact O-N 2.8Å; E73-Q75 VanDerWaalsContact O-N 3.17Å; Q75-L77 VanDerWaalsContact C-N 3.34Å; Q75-L78 PolarHBondContact O-N 3.07Å; Q75-D79 PolarHBondContact O-N 3.02Å; Q75-N226 PolarHBondContact NE2-O 3.5Å
76	K	84.5	Confident	84.8	Confident	116 Å²	116	94.4 Å²	94.4	50%	0.504	50%	0.496	S	S	.	.	H	α-helix	trans	-68.2	-34.3	176.7	-70.9	-171.5	-175.2	147.7	0	112	E73 T74 D79 I80	E73-K76 HydrophobicContact CB-CB 4.3Å; E73-K76 HydrophobicContact CB-CD 4.5Å; E73-K76 HydrophobicContact CB-CG 4.48Å; E73-K76 VanDerWaalsContact CD-CD 3.41Å; E73-K76 HydrophobicContact CG-CB 4.27Å; E73-K76 HydrophobicContact CG-CD 4.15Å; E73-K76 HydrophobicContact CG-CG 4Å; E73-K76 PolarHBondContact O-N 2.76Å; E73-K76 WeakPolarHBondContact OE1-CE 3.24Å; E73-K76 IonicContact OE1-NZ 2.71Å; E73-K76 PolarHBondContact OE1-NZ 3.09Å; E73-K76 VanDerWaalsContact OE2-CD 3.27Å; E73-K76 WeakPolarHBondContact OE2-CD 3.16Å; E73-K76 VanDerWaalsContact OE2-CE 3.28Å; E73-K76 WeakPolarHBondContact OE2-CE 3.37Å; E73-K76 IonicContact OE2-NZ 2.86Å; E73-K76 PolarHBondContact OE2-NZ 2.63Å; T74-K76 PolarHBondContact O-N 3.43Å; K76-D79 WeakPolarHBondContact O-CB 3.42Å; K76-D79 PolarHBondContact O-N 2.9Å; K76-I80 VanDerWaalsContact O-CG1 3.28Å; K76-I80 WeakPolarHBondContact O-CG1 3.27Å; K76-I80 PolarHBondContact O-N 3.12Å
77	L	84.4	Confident	84.5	Confident	66 Å²	66	92 Å²	92	35%	0.346	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-43.9	174.6	-72.5	177.4	0	0	0	111.9	A72 E73 T74 Q75 D79 I80 V81 I159	A72-L77 HydrophobicContact CB-CD1 3.9Å; E73-L77 PolarHBondContact O-N 3.14Å; T74-L77 PolarHBondContact O-N 3.18Å; Q75-L77 VanDerWaalsContact C-N 3.34Å; L77-D79 VanDerWaalsContact C-N 3.29Å; L77-D79 PolarHBondContact O-N 3.5Å; L77-I80 PolarHBondContact O-N 2.89Å; L77-V81 WeakPolarHBondContact O-CG2 3.43Å; L77-V81 PolarHBondContact O-N 3.23Å; L77-I159 HydrophobicContact CB-CD1 3.91Å
78	L	83.3	Confident	84.5	Confident	20 Å²	20	85.6 Å²	85.6	11%	0.105	47%	0.468	C	S	.	.	H	α-helix	trans	-61.2	-39.6	173	-70.5	173.6	0	0	0	111.6	T74 Q75 V81 S82 I159 Y192	T74-L78 PolarHBondContact O-N 2.65Å; Q75-L78 PolarHBondContact O-N 3.07Å; L78-V81 PolarHBondContact O-N 2.86Å; L78-S82 VanDerWaalsContact O-CB 3.28Å; L78-S82 WeakPolarHBondContact O-CB 3.48Å; L78-S82 PolarHBondContact O-N 2.98Å; L78-S82 PolarHBondContact O-OG 3.06Å; L78-I159 HydrophobicContact CD2-CD1 3.72Å; L78-I159 HydrophobicContact CD2-CG1 4.28Å; L78-I159 HydrophobicContact CG-CD1 3.74Å; L78-Y192 HydrophobicContact CD2-CD1 3.5Å; L78-Y192 HydrophobicContact CD2-CE1 3.98Å; L78-Y192 HydrophobicContact CD2-CG 3.97Å
79	D	84.1	Confident	84.5	Confident	73 Å²	73	84.3 Å²	84.3	39%	0.39	45%	0.453	S	S	.	.	H	α-helix	trans	-62.6	-45.2	176.1	-161.1	62.6	0	0	0	111.8	Q75 K76 L77 V81 S82 K83	Q75-D79 PolarHBondContact O-N 3.02Å; K76-D79 WeakPolarHBondContact O-CB 3.42Å; K76-D79 PolarHBondContact O-N 2.9Å; L77-D79 VanDerWaalsContact C-N 3.29Å; L77-D79 PolarHBondContact O-N 3.5Å; D79-V81 PolarHBondContact O-N 3.33Å; D79-S82 WeakPolarHBondContact CA-OG 3.42Å; D79-S82 PolarHBondContact O-N 3.19Å; D79-S82 PolarHBondContact O-OG 2.83Å; D79-S82 VanDerWaalsContact O-OG 3.08Å; D79-K83 WeakPolarHBondContact O-CB 3.41Å; D79-K83 PolarHBondContact O-N 3.02Å; D79-K83 WeakPolarHBondContact OD1-CD 3.37Å; D79-K83 WeakPolarHBondContact OD1-CE 3.47Å; D79-K83 IonicContact OD1-NZ 3.26Å; D79-K83 PolarHBondContact OD1-NZ 3.4Å; D79-K83 IonicContact OD2-NZ 2.63Å
80	I	85.2	Confident	84.7	Confident	89 Å²	89	83 Å²	83	46%	0.456	43%	0.431	S	S	.	.	H	α-helix	trans	-61.4	-46.3	176.3	-70.2	164.5	0	0	0	111.1	K76 L77 S82 K83 S84 L85	K76-I80 VanDerWaalsContact O-CG1 3.28Å; K76-I80 WeakPolarHBondContact O-CG1 3.27Å; K76-I80 PolarHBondContact O-N 3.12Å; L77-I80 PolarHBondContact O-N 2.89Å; I80-S82 VanDerWaalsContact C-N 3.3Å; I80-S82 PolarHBondContact O-N 3.36Å; I80-K83 PolarHBondContact O-N 3.38Å; I80-S84 CarbonylContact O-C 3.5Å; I80-S84 WeakPolarHBondContact O-CA 3.15Å; I80-S84 PolarHBondContact O-N 3.05Å; I80-L85 PolarHBondContact O-N 2.9Å
81	V	82.5	Confident	84.7	Confident	9 Å²	9	72.6 Å²	72.6	6%	0.055	39%	0.385	C	S	.	.	H	α-helix	trans	-65.4	-36.3	-179.8	177.6	0	0	0	0	111.4	L77 L78 D79 L85 Y86	L77-V81 WeakPolarHBondContact O-CG2 3.43Å; L77-V81 PolarHBondContact O-N 3.23Å; L78-V81 PolarHBondContact O-N 2.86Å; D79-V81 PolarHBondContact O-N 3.33Å; V81-L85 HydrophobicContact CG1-CD2 4.08Å; V81-L85 HydrophobicContact CG2-CD2 4.22Å; V81-Y86 HydrophobicContact CG1-CE2 4.42Å
82	S	79.8	Confident	85	Confident	25 Å²	25	63.8 Å²	63.8	18%	0.175	34%	0.343	C	S	.	.	H	α-helix	trans	-83.5	-17.5	-178.6	64.7	0	0	0	0	115.2	L78 D79 I80 M196	L78-S82 VanDerWaalsContact O-CB 3.28Å; L78-S82 WeakPolarHBondContact O-CB 3.48Å; L78-S82 PolarHBondContact O-N 2.98Å; L78-S82 PolarHBondContact O-OG 3.06Å; D79-S82 WeakPolarHBondContact CA-OG 3.42Å; D79-S82 PolarHBondContact O-N 3.19Å; D79-S82 PolarHBondContact O-OG 2.83Å; D79-S82 VanDerWaalsContact O-OG 3.08Å; I80-S82 VanDerWaalsContact C-N 3.3Å; I80-S82 PolarHBondContact O-N 3.36Å; S82-M196 VanDerWaalsContact O-CG 3.29Å; S82-M196 WeakPolarHBondContact O-CG 3.44Å
83	K	82.3	Confident	85.5	Confident	144 Å²	144	60.3 Å²	60.3	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-124.4	-22.6	-175.8	-66.5	179.4	-178	159.7	0	115.5	D79 I80	D79-K83 WeakPolarHBondContact O-CB 3.41Å; D79-K83 PolarHBondContact O-N 3.02Å; D79-K83 WeakPolarHBondContact OD1-CD 3.37Å; D79-K83 WeakPolarHBondContact OD1-CE 3.47Å; D79-K83 IonicContact OD1-NZ 3.26Å; D79-K83 PolarHBondContact OD1-NZ 3.4Å; D79-K83 IonicContact OD2-NZ 2.63Å; I80-K83 PolarHBondContact O-N 3.38Å
84	S	83.6	Confident	85.8	Confident	91 Å²	91	55.4 Å²	55.4	64%	0.636	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.4	-15.5	-165.3	-56	0	0	0	0	114.7	I80	I80-S84 CarbonylContact O-C 3.5Å; I80-S84 WeakPolarHBondContact O-CA 3.15Å; I80-S84 PolarHBondContact O-N 3.05Å
85	L	82.9	Confident	86.3	Confident	29 Å²	29	52.2 Å²	52.2	15%	0.152	27%	0.272	C	S	.	.	S	Bend	trans	-75.5	-41.3	-176.6	-177.6	61.3	0	0	0	113.1	I80 V81 V189 L391 S392	I80-L85 PolarHBondContact O-N 2.9Å; V81-L85 HydrophobicContact CG1-CD2 4.08Å; V81-L85 HydrophobicContact CG2-CD2 4.22Å; L85-V189 HydrophobicContact CD2-CG2 4.15Å; L85-L391 HydrophobicContact CD1-CB 3.95Å; L85-L391 HydrophobicContact CD1-CD2 3.58Å; L85-L391 HydrophobicContact CD1-CG 3.74Å; L85-L391 HydrophobicContact CD2-CD2 4.15Å; L85-L391 HydrophobicContact CD2-CG 4.08Å; L85-S392 WeakPolarHBondContact O-CB 3.5Å
86	Y	83	Confident	86.9	Confident	13 Å²	13	47.1 Å²	47.1	5%	0.051	25%	0.248	C	C	.	.			trans	-109.4	135.7	-177.8	-55.7	-77.6	0	0	0	109.8	V81 V91 E95 A193 M196	V81-Y86 HydrophobicContact CG1-CE2 4.42Å; Y86-V91 HydrophobicContact CD1-CB 4.16Å; Y86-V91 HydrophobicContact CD1-CG1 3.43Å; Y86-V91 VanDerWaalsContact CD1-CG1 3.43Å; Y86-V91 HydrophobicContact CE1-CG1 3.71Å; Y86-V91 HydrophobicContact CG-CB 4.42Å; Y86-V91 HydrophobicContact CG-CG1 4.11Å; Y86-E95 HydrophobicContact CE1-CG 4.41Å; Y86-A193 HydrophobicContact CD2-CB 4.32Å; Y86-A193 HydrophobicContact CE2-CB 3.71Å; Y86-M196 HydrophobicContact CD2-CE 3.51Å; Y86-M196 HydrophobicContact CD2-SD 3.71Å; Y86-M196 HydrophobicContact CE2-CE 4.29Å; Y86-M196 HydrophobicContact CG-CE 3.93Å; Y86-M196 HydrophobicContact CG-SD 4.24Å
87	S	83.8	Confident	87.3	Confident	95 Å²	95	41.6 Å²	41.6	66%	0.664	22%	0.224	S	C	*	.	S	Bend	trans	-74.3	-37	175.5	50.1	0	0	0	0	112.1	E394	S87-E394 PolarHBondContact OG-OE2 3.28Å
88	D	87.6	Confident	87.6	Confident	79 Å²	79	38.6 Å²	38.6	42%	0.422	21%	0.208	S	C	.	.	S	Bend	trans	-108.8	131.4	-177.2	-75.6	-41.8	0	0	0	111.5	E90 V91	D88-E90 VanDerWaalsContact C-N 3.33Å; D88-E90 HydrophobicContact CB-CG 4.13Å; D88-E90 PolarHBondContact O-N 3.14Å; D88-V91 HydrophobicContact CB-CG2 4.04Å; D88-V91 WeakPolarHBondContact O-CB 3.45Å; D88-V91 VanDerWaalsContact O-CG2 3.27Å; D88-V91 WeakPolarHBondContact O-CG2 3.45Å; D88-V91 PolarHBondContact O-N 3.43Å
89	K	91.3	Very high	88	Confident	94 Å²	94	40.1 Å²	40.1	41%	0.409	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-39.7	179.9	-69.6	-175.7	-178.6	-179.2	0	112	V91 F92 V197 F254	K89-V91 PolarHBondContact O-N 3.07Å; K89-F92 WeakPolarHBondContact O-CD1 3.24Å; K89-F92 PolarHBondContact O-N 3.26Å; K89-V197 HydrophobicContact CB-CG1 4.2Å; K89-F254 HydrophobicContact CB-CE2 4.21Å; K89-F254 HydrophobicContact CB-CZ 3.95Å
90	E	92.8	Very high	88.5	Confident	34 Å²	34	36.7 Å²	36.7	16%	0.159	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-16	-176.2	56	173.6	-148.9	0	0	114.8	D88 F92 V93 F254 I263 K266 Y267	D88-E90 VanDerWaalsContact C-N 3.33Å; D88-E90 HydrophobicContact CB-CG 4.13Å; D88-E90 PolarHBondContact O-N 3.14Å; E90-F92 PolarHBondContact O-N 2.66Å; E90-V93 WeakPolarHBondContact O-CB 3.3Å; E90-V93 PolarHBondContact O-N 2.81Å; E90-V93 VanDerWaalsContact O-N 3.12Å; E90-F254 HydrophobicContact CB-CE1 4.05Å; E90-F254 HydrophobicContact CB-CZ 4.5Å; E90-I263 HydrophobicContact CB-CD1 3.78Å; E90-I263 HydrophobicContact CB-CG1 4.02Å; E90-I263 HydrophobicContact CB-CG2 4.17Å; E90-K266 IonicContact OE1-NZ 2.74Å; E90-K266 PolarHBondContact OE1-NZ 3.3Å; E90-Y267 HydrophobicContact CG-CE2 3.97Å; E90-Y267 VanDerWaalsContact OE1-CE2 3.26Å; E90-Y267 WeakPolarHBondContact OE1-CE2 3.24Å; E90-Y267 VanDerWaalsContact OE1-CZ 3.31Å; E90-Y267 PolarHBondContact OE1-OH 3.01Å
91	V	89	Confident	88.8	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-25.7	178.7	176.3	0	0	0	0	113	Y86 D88 K89 V93 R94 E95 E394	Y86-V91 HydrophobicContact CD1-CB 4.16Å; Y86-V91 HydrophobicContact CD1-CG1 3.43Å; Y86-V91 VanDerWaalsContact CD1-CG1 3.43Å; Y86-V91 HydrophobicContact CE1-CG1 3.71Å; Y86-V91 HydrophobicContact CG-CB 4.42Å; Y86-V91 HydrophobicContact CG-CG1 4.11Å; D88-V91 HydrophobicContact CB-CG2 4.04Å; D88-V91 WeakPolarHBondContact O-CB 3.45Å; D88-V91 VanDerWaalsContact O-CG2 3.27Å; D88-V91 WeakPolarHBondContact O-CG2 3.45Å; D88-V91 PolarHBondContact O-N 3.43Å; K89-V91 PolarHBondContact O-N 3.07Å; V91-V93 PolarHBondContact O-N 2.75Å; V91-V93 VanDerWaalsContact O-N 3.14Å; V91-R94 VanDerWaalsContact CG1-CZ 3.48Å; V91-R94 WeakPolarHBondContact O-CB 3.4Å; V91-R94 PolarHBondContact O-N 2.93Å; V91-E95 HydrophobicContact CG1-CG 4.34Å; V91-E95 PolarHBondContact O-N 3.38Å; V91-E95 VanDerWaalsContact O-N 3.1Å; V91-E394 WeakPolarHBondContact CG2-OE1 3.28Å
92	F	93.3	Very high	89.2	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-55.9	-34.3	175.6	84.9	-93.8	0	0	0	111.8	K89 E90 E95 L96 L138 A193 M196 V197 L245 F254	K89-F92 WeakPolarHBondContact O-CD1 3.24Å; K89-F92 PolarHBondContact O-N 3.26Å; E90-F92 PolarHBondContact O-N 2.66Å; F92-E95 PolarHBondContact O-N 2.87Å; F92-L96 HydrophobicContact CD2-CD1 4.03Å; F92-L96 HydrophobicContact CE2-CD1 4.46Å; F92-L96 WeakPolarHBondContact O-CG 3.48Å; F92-L96 PolarHBondContact O-N 2.99Å; F92-L138 HydrophobicContact CE2-CD2 3.55Å; F92-L138 HydrophobicContact CZ-CD2 3.55Å; F92-A193 HydrophobicContact CB-CB 3.85Å; F92-A193 WeakPolarHBondContact CB-O 3.41Å; F92-M196 HydrophobicContact CB-CE 4.18Å; F92-V197 HydrophobicContact CD1-CB 4.21Å; F92-V197 HydrophobicContact CD1-CG1 3.59Å; F92-V197 HydrophobicContact CD1-CG2 3.59Å; F92-V197 HydrophobicContact CD2-CG2 4.01Å; F92-V197 HydrophobicContact CE1-CB 4.19Å; F92-V197 HydrophobicContact CE1-CG1 3.76Å; F92-V197 HydrophobicContact CE1-CG2 3.7Å; F92-V197 HydrophobicContact CE2-CG2 4.07Å; F92-V197 HydrophobicContact CG-CG1 4.47Å; F92-V197 HydrophobicContact CG-CG2 3.8Å; F92-V197 HydrophobicContact CZ-CG2 3.93Å; F92-L245 HydrophobicContact CD2-CD1 3.91Å; F92-L245 HydrophobicContact CE2-CD1 3.56Å; F92-L245 HydrophobicContact CZ-CD1 4.48Å; F92-F254 HydrophobicContact CE1-CB 4.39Å; F92-F254 AromaticContact CE1-CD1 3.85Å; F92-F254 HydrophobicContact CE1-CD1 3.85Å; F92-F254 AromaticContact CE1-CD2 3.82Å; F92-F254 HydrophobicContact CE1-CD2 3.82Å; F92-F254 HydrophobicContact CE1-CE1 4.03Å; F92-F254 HydrophobicContact CE1-CE2 4.03Å; F92-F254 AromaticContact CE1-CG 3.75Å; F92-F254 HydrophobicContact CE1-CG 3.75Å; F92-F254 HydrophobicContact CE1-CZ 4.13Å; F92-F254 HydrophobicContact CZ-CB 4.15Å; F92-F254 HydrophobicContact CZ-CD1 4.25Å; F92-F254 HydrophobicContact CZ-CD2 4.36Å; F92-F254 HydrophobicContact CZ-CG 4Å
93	V	94.3	Very high	89.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-45.7	177.3	-179.3	0	0	0	0	109.9	E90 V91 E95 L96 I97 M260 I263 L264	E90-V93 WeakPolarHBondContact O-CB 3.3Å; E90-V93 PolarHBondContact O-N 2.81Å; E90-V93 VanDerWaalsContact O-N 3.12Å; V91-V93 PolarHBondContact O-N 2.75Å; V91-V93 VanDerWaalsContact O-N 3.14Å; V93-E95 VanDerWaalsContact C-N 3.32Å; V93-E95 PolarHBondContact O-N 2.65Å; V93-L96 PolarHBondContact O-N 2.73Å; V93-I97 HydrophobicContact CG1-CG1 4.13Å; V93-I97 WeakPolarHBondContact O-CB 3.12Å; V93-I97 VanDerWaalsContact O-CG1 3.22Å; V93-I97 WeakPolarHBondContact O-CG1 3.34Å; V93-I97 PolarHBondContact O-N 2.95Å; V93-M260 HydrophobicContact CG1-SD 3.95Å; V93-M260 HydrophobicContact CG2-CE 3.97Å; V93-M260 HydrophobicContact CG2-SD 3.95Å; V93-I263 HydrophobicContact CB-CG2 3.74Å; V93-I263 HydrophobicContact CG1-CG2 3.94Å; V93-I263 HydrophobicContact CG2-CG2 3.92Å; V93-L264 HydrophobicContact CG1-CD2 3.84Å
94	R	90.6	Very high	90.3	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-57.9	-45.2	177	-177.4	-168.1	71.9	-165.3	-2.2	111.3	V91 S98 Y267 V361 S392 R393	V91-R94 VanDerWaalsContact CG1-CZ 3.48Å; V91-R94 WeakPolarHBondContact O-CB 3.4Å; V91-R94 PolarHBondContact O-N 2.93Å; R94-S98 VanDerWaalsContact O-CB 3.31Å; R94-S98 WeakPolarHBondContact O-CB 3.28Å; R94-S98 PolarHBondContact O-N 3.35Å; R94-S98 PolarHBondContact O-OG 3.08Å; R94-Y267 HydrophobicContact CB-CD1 4.46Å; R94-Y267 HydrophobicContact CB-CG 4.12Å; R94-Y267 HydrophobicContact CG-CD1 4.42Å; R94-Y267 HydrophobicContact CG-CG 4.38Å; R94-V361 HydrophobicContact CG-CG1 4.11Å; R94-S392 PolarHBondContact NH2-O 3.31Å; R94-R393 PolarHBondContact NH1-O 3.47Å
95	E	91.6	Very high	90.5	Very high	8 Å²	8	22.2 Å²	22.2	4%	0.037	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-43.8	-179.9	-63.3	-55.3	128.3	0	0	111.9	Y86 V91 F92 V93 S98 N99 G190 A193	Y86-E95 HydrophobicContact CE1-CG 4.41Å; V91-E95 HydrophobicContact CG1-CG 4.34Å; V91-E95 PolarHBondContact O-N 3.38Å; V91-E95 VanDerWaalsContact O-N 3.1Å; F92-E95 PolarHBondContact O-N 2.87Å; V93-E95 VanDerWaalsContact C-N 3.32Å; V93-E95 PolarHBondContact O-N 2.65Å; E95-S98 WeakPolarHBondContact O-CB 3.25Å; E95-S98 PolarHBondContact O-N 3.05Å; E95-N99 VanDerWaalsContact O-CG 3.28Å; E95-N99 PolarHBondContact O-N 3.46Å; E95-N99 PolarHBondContact O-ND2 3.24Å; E95-G190 WeakPolarHBondContact CB-O 3.28Å; E95-G190 WeakPolarHBondContact OE2-CA 3.49Å; E95-A193 HydrophobicContact CB-CB 4.47Å; E95-A193 HydrophobicContact CG-CB 4.28Å
96	L	94.6	Very high	90.7	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-67.6	-42.6	179.2	-71.2	-175.3	0	0	0	113	F92 V93 S98 N99 A100 I140 F191 C194 I243 L245	F92-L96 HydrophobicContact CD2-CD1 4.03Å; F92-L96 HydrophobicContact CE2-CD1 4.46Å; F92-L96 WeakPolarHBondContact O-CG 3.48Å; F92-L96 PolarHBondContact O-N 2.99Å; V93-L96 PolarHBondContact O-N 2.73Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 3.43Å; L96-N99 PolarHBondContact O-N 3.44Å; L96-A100 WeakPolarHBondContact O-CB 3.23Å; L96-A100 PolarHBondContact O-N 3.41Å; L96-I140 HydrophobicContact CB-CD1 3.74Å; L96-I140 HydrophobicContact CD1-CD1 3.68Å; L96-I140 HydrophobicContact CG-CD1 4.39Å; L96-F191 HydrophobicContact CD2-CD2 4.34Å; L96-C194 VanDerWaalsContact CD2-SG 3.59Å; L96-I243 HydrophobicContact CD2-CD1 3.73Å; L96-L245 HydrophobicContact CD1-CD1 3.98Å
97	I	93.5	Very high	91.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.9	-36.6	175.3	-62.2	-63.1	0	0	0	110.9	V93 A100 S101 I127 I129 I140 L264 V271 I275	V93-I97 HydrophobicContact CG1-CG1 4.13Å; V93-I97 WeakPolarHBondContact O-CB 3.12Å; V93-I97 VanDerWaalsContact O-CG1 3.22Å; V93-I97 WeakPolarHBondContact O-CG1 3.34Å; V93-I97 PolarHBondContact O-N 2.95Å; I97-A100 PolarHBondContact O-N 3Å; I97-S101 WeakPolarHBondContact O-CB 3.42Å; I97-S101 PolarHBondContact O-N 3.15Å; I97-I127 HydrophobicContact CD1-CG2 3.81Å; I97-I127 HydrophobicContact CG2-CD1 4.24Å; I97-I129 HydrophobicContact CD1-CD1 3.84Å; I97-I129 HydrophobicContact CD1-CG1 4.11Å; I97-I140 HydrophobicContact CD1-CD1 4.45Å; I97-I140 HydrophobicContact CD1-CG2 4.26Å; I97-L264 HydrophobicContact CD1-CD2 4.04Å; I97-L264 HydrophobicContact CG1-CD2 3.96Å; I97-V271 HydrophobicContact CG2-CG2 4.18Å; I97-I275 HydrophobicContact CG2-CD1 3.88Å
98	S	90	Very high	91.2	Very high	3 Å²	3	20 Å²	20	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-43.9	174.6	-60.8	0	0	0	0	111.7	R94 E95 L96 S101 D102	R94-S98 VanDerWaalsContact O-CB 3.31Å; R94-S98 WeakPolarHBondContact O-CB 3.28Å; R94-S98 PolarHBondContact O-N 3.35Å; R94-S98 PolarHBondContact O-OG 3.08Å; E95-S98 WeakPolarHBondContact O-CB 3.25Å; E95-S98 PolarHBondContact O-N 3.05Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 3.43Å; S98-S101 PolarHBondContact O-N 2.93Å; S98-D102 PolarHBondContact O-N 3.3Å
99	N	93	Very high	91	Very high	52 Å²	52	18.4 Å²	18.4	28%	0.278	9%	0.085	S	C	.	.	H	α-helix	trans	-62.7	-43.1	176.2	-69.1	-22.7	0	0	0	112.1	E95 L96 S101 D102 A103	E95-N99 VanDerWaalsContact O-CG 3.28Å; E95-N99 PolarHBondContact O-N 3.46Å; E95-N99 PolarHBondContact O-ND2 3.24Å; L96-N99 PolarHBondContact O-N 3.44Å; N99-S101 VanDerWaalsContact C-N 3.35Å; N99-D102 PolarHBondContact O-N 2.99Å; N99-A103 WeakPolarHBondContact O-CB 3.45Å; N99-A103 PolarHBondContact O-N 2.75Å
100	A	94	Very high	90.6	Very high	2 Å²	2	14.3 Å²	14.3	2%	0.017	7%	0.067	C	C	.	.	H	α-helix	trans	-61.8	-42.4	175.4	0	0	0	0	0	111.9	L96 I97 A103 I104 I127 D142	L96-A100 WeakPolarHBondContact O-CB 3.23Å; L96-A100 PolarHBondContact O-N 3.41Å; I97-A100 PolarHBondContact O-N 3Å; A100-A103 PolarHBondContact O-N 3.14Å; A100-I104 WeakPolarHBondContact O-CG1 3.37Å; A100-I104 PolarHBondContact O-N 3.1Å; A100-I104 VanDerWaalsContact O-N 3.07Å; A100-I127 HydrophobicContact CB-CD1 3.66Å; A100-I127 HydrophobicContact CB-CG1 3.92Å; A100-I127 HydrophobicContact CB-CG2 4.2Å; A100-D142 HydrophobicContact CB-CB 3.7Å
101	S	91.5	Very high	90.2	Very high	4 Å²	4	14.4 Å²	14.4	3%	0.028	7%	0.066	C	C	.	.	H	α-helix	trans	-62.3	-45.4	175	-172.1	0	0	0	0	111.8	I97 S98 N99 A103 I104 E105	I97-S101 WeakPolarHBondContact O-CB 3.42Å; I97-S101 PolarHBondContact O-N 3.15Å; S98-S101 PolarHBondContact O-N 2.93Å; N99-S101 VanDerWaalsContact C-N 3.35Å; S101-A103 VanDerWaalsContact C-N 3.34Å; S101-A103 PolarHBondContact O-N 3.38Å; S101-I104 PolarHBondContact O-N 2.93Å; S101-E105 PolarHBondContact O-N 2.71Å
102	D	90.8	Very high	89.8	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-43.1	175.9	-78.5	2.6	0	0	0	112	S98 N99 I104 E105 R106 S164 I183 I184 G185	S98-D102 PolarHBondContact O-N 3.3Å; N99-D102 PolarHBondContact O-N 2.99Å; D102-I104 VanDerWaalsContact C-N 3.28Å; D102-I104 PolarHBondContact O-N 3.5Å; D102-E105 PolarHBondContact O-N 2.75Å; D102-R106 WeakPolarHBondContact O-CB 3.11Å; D102-R106 VanDerWaalsContact O-CD 3.29Å; D102-R106 WeakPolarHBondContact O-CD 3.36Å; D102-R106 WeakPolarHBondContact O-CG 3.33Å; D102-R106 PolarHBondContact O-N 2.75Å; D102-S164 WeakPolarHBondContact OD2-CB 3.23Å; D102-S164 PolarHBondContact OD2-OG 3.11Å; D102-I183 HydrophobicContact CB-CD1 4.31Å; D102-I183 WeakPolarHBondContact OD1-CA 3.1Å; D102-I184 PolarHBondContact OD1-N 3.28Å; D102-G185 VanDerWaalsContact OD2-CA 3.27Å; D102-G185 WeakPolarHBondContact OD2-CA 3.37Å; D102-G185 PolarHBondContact OD2-N 3.38Å
103	A	92.8	Very high	89.1	Confident	13 Å²	13	24.5 Å²	24.5	11%	0.107	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-40.5	178	0	0	0	0	0	111.5	N99 A100 S101 L107 I145	N99-A103 WeakPolarHBondContact O-CB 3.45Å; N99-A103 PolarHBondContact O-N 2.75Å; A100-A103 PolarHBondContact O-N 3.14Å; S101-A103 VanDerWaalsContact C-N 3.34Å; S101-A103 PolarHBondContact O-N 3.38Å; A103-L107 PolarHBondContact O-N 2.79Å; A103-L107 VanDerWaalsContact O-N 3.16Å; A103-I145 HydrophobicContact CB-CG2 4.31Å; A103-I145 PolarHBondContact O-N 3.06Å
104	I	92.2	Very high	88.2	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-70.5	-43.3	177.4	-75.4	169.5	0	0	0	111.5	A100 S101 D102 R106 L107 R108 L125 E126 I127 D142 G144 T273	A100-I104 WeakPolarHBondContact O-CG1 3.37Å; A100-I104 PolarHBondContact O-N 3.1Å; A100-I104 VanDerWaalsContact O-N 3.07Å; S101-I104 PolarHBondContact O-N 2.93Å; D102-I104 VanDerWaalsContact C-N 3.28Å; D102-I104 PolarHBondContact O-N 3.5Å; I104-R106 VanDerWaalsContact C-N 3.31Å; I104-R106 PolarHBondContact O-N 2.92Å; I104-L107 WeakPolarHBondContact O-CB 3.48Å; I104-L107 PolarHBondContact O-N 3.03Å; I104-L107 VanDerWaalsContact O-N 3.12Å; I104-R108 WeakPolarHBondContact O-CG 3.46Å; I104-R108 PolarHBondContact O-N 3.13Å; I104-L125 HydrophobicContact CG2-CB 3.83Å; I104-L125 HydrophobicContact CG2-CD1 4.27Å; I104-L125 HydrophobicContact CG2-CD2 4.45Å; I104-L125 HydrophobicContact CG2-CG 4.43Å; I104-E126 WeakPolarHBondContact CD1-O 2.92Å; I104-I127 HydrophobicContact CD1-CG1 3.81Å; I104-D142 HydrophobicContact CD1-CB 4.14Å; I104-G144 VanDerWaalsContact CG1-CA 3.5Å; I104-T273 HydrophobicContact CD1-CG2 3.46Å; I104-T273 VanDerWaalsContact CD1-CG2 3.46Å; I104-T273 HydrophobicContact CG2-CG2 4.17Å
105	E	87.7	Confident	87.1	Confident	37 Å²	37	33.2 Å²	33.2	17%	0.173	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-36.3	179.7	-164.8	56.1	-143.5	0	0	111.9	S101 D102 R108 F109 I181 I183	S101-E105 PolarHBondContact O-N 2.71Å; D102-E105 PolarHBondContact O-N 2.75Å; E105-R108 WeakPolarHBondContact O-CB 3.5Å; E105-R108 PolarHBondContact O-N 2.73Å; E105-R108 WeakPolarHBondContact OE2-CD 3.35Å; E105-R108 IonicContact OE2-CZ 2.84Å; E105-R108 IonicContact OE2-NH1 2.91Å; E105-R108 PolarHBondContact OE2-NH1 3.5Å; E105-F109 PolarHBondContact O-N 3.13Å; E105-I181 HydrophobicContact CG-CG2 3.81Å; E105-I183 HydrophobicContact CB-CD1 4.24Å; E105-I183 HydrophobicContact CG-CD1 4.48Å
106	R	88.5	Confident	86	Confident	30 Å²	30	33 Å²	33	11%	0.113	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-47.2	169.3	-72.4	160.7	179.8	-115.2	-37.8	112	D102 I104 R108 F109 Q110 I145 G163 S164 F167 I183	D102-R106 WeakPolarHBondContact O-CB 3.11Å; D102-R106 VanDerWaalsContact O-CD 3.29Å; D102-R106 WeakPolarHBondContact O-CD 3.36Å; D102-R106 WeakPolarHBondContact O-CG 3.33Å; D102-R106 PolarHBondContact O-N 2.75Å; I104-R106 VanDerWaalsContact C-N 3.31Å; I104-R106 PolarHBondContact O-N 2.92Å; R106-R108 VanDerWaalsContact C-N 3.33Å; R106-R108 PolarHBondContact O-N 3.14Å; R106-F109 PolarHBondContact O-N 2.89Å; R106-Q110 WeakPolarHBondContact O-CB 3.31Å; R106-Q110 WeakPolarHBondContact O-CG 3.43Å; R106-Q110 PolarHBondContact O-N 3.08Å; R106-I145 HydrophobicContact CB-CB 4.28Å; R106-I145 HydrophobicContact CB-CG2 4.05Å; R106-G163 PolarHBondContact NH2-O 3.38Å; R106-S164 VanDerWaalsContact NH2-C 3.27Å; R106-S164 PolarHBondContact NH2-O 2.98Å; R106-F167 HydrophobicContact CB-CE1 4.41Å; R106-F167 HydrophobicContact CB-CZ 4.24Å; R106-F167 HydrophobicContact CG-CD1 3.84Å; R106-F167 HydrophobicContact CG-CD2 4.41Å; R106-F167 HydrophobicContact CG-CE1 3.75Å; R106-F167 HydrophobicContact CG-CE2 4.34Å; R106-F167 HydrophobicContact CG-CG 4.16Å; R106-F167 HydrophobicContact CG-CZ 4Å; R106-I183 HydrophobicContact CG-CD1 4.24Å
107	L	89.4	Confident	84.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-41.4	178.8	-179.8	58.1	0	0	0	111.1	A103 I104 F109 Q110 R111 V116 L125 T143 I145 H208	A103-L107 PolarHBondContact O-N 2.79Å; A103-L107 VanDerWaalsContact O-N 3.16Å; I104-L107 WeakPolarHBondContact O-CB 3.48Å; I104-L107 PolarHBondContact O-N 3.03Å; I104-L107 VanDerWaalsContact O-N 3.12Å; L107-F109 PolarHBondContact O-N 3.15Å; L107-Q110 PolarHBondContact O-N 2.83Å; L107-R111 HydrophobicContact CD1-CG 4.18Å; L107-R111 HydrophobicContact CG-CG 4.43Å; L107-R111 WeakPolarHBondContact O-CB 3.32Å; L107-R111 WeakPolarHBondContact O-CG 3.39Å; L107-R111 PolarHBondContact O-N 3.06Å; L107-V116 HydrophobicContact CD1-CG1 4.43Å; L107-L125 HydrophobicContact CD2-CD2 3.57Å; L107-L125 HydrophobicContact CG-CD2 4.21Å; L107-T143 VanDerWaalsContact CD2-O 3.29Å; L107-T143 WeakPolarHBondContact CD2-O 3.45Å; L107-I145 HydrophobicContact CB-CB 4.11Å; L107-I145 HydrophobicContact CB-CD1 4.41Å; L107-I145 HydrophobicContact CD1-CD1 3.82Å; L107-H208 HydrophobicContact CD1-CB 3.94Å
108	R	86.5	Confident	82.7	Confident	61 Å²	61	42.6 Å²	42.6	23%	0.23	24%	0.237	C	C	.	.	H	α-helix	trans	-55.7	-50.9	173.4	-72.6	-179.3	-173.5	151.8	1	111.3	I104 E105 R106 Q110 R111 L112 L125 T273	I104-R108 WeakPolarHBondContact O-CG 3.46Å; I104-R108 PolarHBondContact O-N 3.13Å; E105-R108 WeakPolarHBondContact O-CB 3.5Å; E105-R108 PolarHBondContact O-N 2.73Å; E105-R108 WeakPolarHBondContact OE2-CD 3.35Å; E105-R108 IonicContact OE2-CZ 2.84Å; E105-R108 IonicContact OE2-NH1 2.91Å; E105-R108 PolarHBondContact OE2-NH1 3.5Å; R106-R108 VanDerWaalsContact C-N 3.33Å; R106-R108 PolarHBondContact O-N 3.14Å; R108-Q110 VanDerWaalsContact C-N 3.32Å; R108-Q110 PolarHBondContact O-N 3.02Å; R108-R111 PolarHBondContact O-N 3.27Å; R108-L112 WeakPolarHBondContact O-CG 3.48Å; R108-L112 PolarHBondContact O-N 3.27Å; R108-L125 HydrophobicContact CG-CD1 3.28Å; R108-T273 PolarHBondContact NH2-OG1 3.34Å
109	F	83.9	Confident	81	Confident	45 Å²	45	54 Å²	54	20%	0.197	28%	0.279	C	S	.	.	H	α-helix	trans	-60.8	-41.1	178.1	-178.8	-90.7	0	0	0	112.3	E105 R106 L107 L112 S113 F167 I171 I181	E105-F109 PolarHBondContact O-N 3.13Å; R106-F109 PolarHBondContact O-N 2.89Å; L107-F109 PolarHBondContact O-N 3.15Å; F109-L112 PolarHBondContact O-N 2.92Å; F109-S113 WeakPolarHBondContact O-CB 3.39Å; F109-S113 PolarHBondContact O-N 2.84Å; F109-S113 PolarHBondContact O-OG 2.84Å; F109-F167 HydrophobicContact CB-CZ 4Å; F109-F167 HydrophobicContact CD1-CE2 4.08Å; F109-F167 AromaticContact CD1-CZ 3.59Å; F109-F167 HydrophobicContact CD1-CZ 3.59Å; F109-F167 HydrophobicContact CE1-CZ 4.34Å; F109-F167 AromaticContact CG-CZ 3.94Å; F109-F167 HydrophobicContact CG-CZ 3.94Å; F109-I171 HydrophobicContact CD1-CD1 3.91Å; F109-I171 HydrophobicContact CD2-CD1 4.38Å; F109-I171 HydrophobicContact CE1-CD1 3.59Å; F109-I171 HydrophobicContact CE1-CG1 4.08Å; F109-I171 HydrophobicContact CE2-CD1 4.11Å; F109-I171 HydrophobicContact CE2-CG2 4.38Å; F109-I171 HydrophobicContact CG-CD1 4.29Å; F109-I171 HydrophobicContact CZ-CD1 3.7Å; F109-I171 HydrophobicContact CZ-CG1 3.99Å; F109-I171 HydrophobicContact CZ-CG2 4.24Å; F109-I181 HydrophobicContact CD2-CD1 3.77Å; F109-I181 HydrophobicContact CE2-CD1 3.96Å; F109-I181 HydrophobicContact CG-CD1 4.3Å
110	Q	83	Confident	79.3	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-71.4	-33.3	179.5	-69.3	-162.3	-60.5	0	0	113.6	R106 L107 R108 S113 G114 Q115 V116	R106-Q110 WeakPolarHBondContact O-CB 3.31Å; R106-Q110 WeakPolarHBondContact O-CG 3.43Å; R106-Q110 PolarHBondContact O-N 3.08Å; L107-Q110 PolarHBondContact O-N 2.83Å; R108-Q110 VanDerWaalsContact C-N 3.32Å; R108-Q110 PolarHBondContact O-N 3.02Å; Q110-S113 WeakPolarHBondContact CA-OG 3.38Å; Q110-S113 PolarHBondContact O-OG 2.92Å; Q110-G114 PolarHBondContact O-N 2.89Å; Q110-Q115 HydrophobicContact CB-CB 4.36Å; Q110-Q115 PolarHBondContact O-N 2.95Å; Q110-Q115 VanDerWaalsContact O-N 3.08Å; Q110-V116 HydrophobicContact CB-CG2 3.88Å; Q110-V116 PolarHBondContact O-N 3.35Å
111	R	83.9	Confident	77.5	Confident	36 Å²	36	56.8 Å²	56.8	14%	0.136	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-44	169.1	-74.2	-176.3	-179.1	-179.4	7.7	110.9	L107 R108 G114 L120 S121 E123	L107-R111 HydrophobicContact CD1-CG 4.18Å; L107-R111 HydrophobicContact CG-CG 4.43Å; L107-R111 WeakPolarHBondContact O-CB 3.32Å; L107-R111 WeakPolarHBondContact O-CG 3.39Å; L107-R111 PolarHBondContact O-N 3.06Å; R108-R111 PolarHBondContact O-N 3.27Å; R111-G114 PolarHBondContact O-N 2.94Å; R111-L120 PolarHBondContact NH2-O 3.47Å; R111-L120 VanDerWaalsContact NH2-O 3.13Å; R111-S121 PolarHBondContact NH1-O 2.88Å; R111-E123 PolarHBondContact NH1-O 2.8Å; R111-E123 VanDerWaalsContact NH1-O 3.1Å
112	L	80.8	Confident	76.4	Confident	155 Å²	155	63.8 Å²	63.8	81%	0.812	33%	0.334	S	S	*	.	H	α-helix	trans	-69.9	-34.7	179.6	-70.6	171.6	0	0	0	113.6	R108 F109 G114	R108-L112 WeakPolarHBondContact O-CG 3.48Å; R108-L112 PolarHBondContact O-N 3.27Å; F109-L112 PolarHBondContact O-N 2.92Å; L112-G114 VanDerWaalsContact C-N 3.28Å; L112-G114 PolarHBondContact O-N 3.07Å
113	S	79.5	Confident	75.8	Confident	56 Å²	56	67.3 Å²	67.3	39%	0.392	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-2.8	178.3	58.7	0	0	0	0	114.1	F109 Q110 Q115	F109-S113 WeakPolarHBondContact O-CB 3.39Å; F109-S113 PolarHBondContact O-N 2.84Å; F109-S113 PolarHBondContact O-OG 2.84Å; Q110-S113 WeakPolarHBondContact CA-OG 3.38Å; Q110-S113 PolarHBondContact O-OG 2.92Å; S113-Q115 VanDerWaalsContact C-N 3.27Å; S113-Q115 PolarHBondContact O-N 2.8Å
114	G	73.8	Confident	75.6	Confident	60 Å²	60	70.2 Å²	70.2	62%	0.619	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	12.1	-179.9	0	0	0	0	0	114.8	Q110 R111 L112 V116	Q110-G114 PolarHBondContact O-N 2.89Å; R111-G114 PolarHBondContact O-N 2.94Å; L112-G114 VanDerWaalsContact C-N 3.28Å; L112-G114 PolarHBondContact O-N 3.07Å; G114-V116 VanDerWaalsContact C-N 3.35Å
115	Q	68	Low	75.6	Confident	125 Å²	125	71.7 Å²	71.7	58%	0.584	38%	0.376	S	S	*	.			trans	-76.5	-22.8	179.1	-71	-178.8	-4.3	0	0	113.2	Q110 S113	Q110-Q115 HydrophobicContact CB-CB 4.36Å; Q110-Q115 PolarHBondContact O-N 2.95Å; Q110-Q115 VanDerWaalsContact O-N 3.08Å; S113-Q115 VanDerWaalsContact C-N 3.27Å; S113-Q115 PolarHBondContact O-N 2.8Å
116	V	68.2	Low	75.9	Confident	4 Å²	4	71.7 Å²	71.7	2%	0.024	38%	0.376	C	S	.	.	S	Bend	trans	-115.3	132	176.4	174.6	0	0	0	0	108.3	L107 Q110 G114 L118 I145 H208 R209	L107-V116 HydrophobicContact CD1-CG1 4.43Å; Q110-V116 HydrophobicContact CB-CG2 3.88Å; Q110-V116 PolarHBondContact O-N 3.35Å; G114-V116 VanDerWaalsContact C-N 3.35Å; V116-L118 PolarHBondContact O-N 3.33Å; V116-I145 HydrophobicContact CG2-CD1 4.36Å; V116-H208 HydrophobicContact CG1-CB 4.25Å; V116-R209 HydrophobicContact CG2-CG 4.43Å
117	S	62.9	Low	76.3	Confident	81 Å²	81	70.2 Å²	70.2	57%	0.566	37%	0.371	S	S	*	.			trans	-60.4	130.2	-174.6	-161.9	0	0	0	0	111.5	R119 L120	S117-R119 PolarHBondContact O-N 2.93Å; S117-L120 PolarHBondContact O-N 2.89Å
118	L	56.3	Low	76.7	Confident	122 Å²	122	73.3 Å²	73.3	64%	0.639	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-60.3	-11.1	-178.9	-69.1	168.5	0	0	0	113.7	V116 L120 S121	V116-L118 PolarHBondContact O-N 3.33Å; L118-L120 PolarHBondContact O-N 3.43Å; L118-L120 VanDerWaalsContact O-N 3.09Å; L118-S121 WeakPolarHBondContact O-CB 3.48Å; L118-S121 PolarHBondContact O-N 2.95Å; L118-S121 PolarHBondContact O-OG 2.88Å
119	R	53.6	Low	77.2	Confident	242 Å²	242	70.6 Å²	70.6	91%	0.913	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-63	-16.1	177.8	-67.1	-171.4	-177.1	-177.6	1.5	113.9	S117	S117-R119 PolarHBondContact O-N 2.93Å
120	L	57.8	Low	77.9	Confident	66 Å²	66	74.4 Å²	74.4	35%	0.346	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-105.4	13.9	172.8	-62.4	169.4	0	0	0	112.3	R111 S117 L118 D122 H208	R111-L120 PolarHBondContact NH2-O 3.47Å; R111-L120 VanDerWaalsContact NH2-O 3.13Å; S117-L120 PolarHBondContact O-N 2.89Å; L118-L120 PolarHBondContact O-N 3.43Å; L118-L120 VanDerWaalsContact O-N 3.09Å; L120-D122 PolarHBondContact O-N 3.3Å; L120-H208 WeakPolarHBondContact CD1-ND1 3.48Å
121	S	57.1	Low	78.6	Confident	47 Å²	47	74.9 Å²	74.9	33%	0.329	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.7	-171.3	62	0	0	0	0	114.4	R111 L118	R111-S121 PolarHBondContact NH1-O 2.88Å; L118-S121 WeakPolarHBondContact O-CB 3.48Å; L118-S121 PolarHBondContact O-N 2.95Å; L118-S121 PolarHBondContact O-OG 2.88Å
122	D	68.1	Low	79.1	Confident	151 Å²	151	75.1 Å²	75.1	81%	0.807	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-4.9	-169.4	-66.4	-1.6	0	0	0	113.2	L120	L120-D122 PolarHBondContact O-N 3.3Å
123	E	78.7	Confident	79.8	Confident	74 Å²	74	73.1 Å²	73.1	35%	0.346	39%	0.386	S	S	.	.	S	Bend	trans	-68.4	130.2	175.7	-69.4	-176.6	168.1	0	0	110.3	R111 H208	R111-E123 PolarHBondContact NH1-O 2.8Å; R111-E123 VanDerWaalsContact NH1-O 3.1Å; E123-H208 IonicContact OE2-CE1 2.6Å; E123-H208 PolarHBondContact OE2-CE1 3.3Å; E123-H208 IonicContact OE2-NE2 3.67Å
124	P	88.4	Confident	80.5	Confident	74 Å²	74	75.1 Å²	75.1	48%	0.481	41%	0.405	S	S	.	.			trans	-64.4	139.2	-177.9	27.3	-34.2	0	0	0	110.6	E126 T143	P124-E126 HydrophobicContact CB-CG 4.25Å; P124-E126 HydrophobicContact CG-CG 4.42Å; P124-T143 WeakPolarHBondContact O-CB 3.35Å; P124-T143 PolarHBondContact O-OG1 3.44Å
125	L	91.6	Very high	81.6	Confident	31 Å²	31	79.1 Å²	79.1	16%	0.162	41%	0.406	C	S	.	.			trans	-96.4	101.5	177.5	-65.7	179.5	0	0	0	109.4	I104 L107 R108 T143 P274	I104-L125 HydrophobicContact CG2-CB 3.83Å; I104-L125 HydrophobicContact CG2-CD1 4.27Å; I104-L125 HydrophobicContact CG2-CD2 4.45Å; I104-L125 HydrophobicContact CG2-CG 4.43Å; L107-L125 HydrophobicContact CD2-CD2 3.57Å; L107-L125 HydrophobicContact CG-CD2 4.21Å; R108-L125 HydrophobicContact CG-CD1 3.28Å; L125-T143 WeakPolarHBondContact CA-OG1 3.36Å; L125-P274 WeakPolarHBondContact O-CD 3.33Å
126	E	94.7	Very high	82.9	Confident	37 Å²	37	76.9 Å²	76.9	17%	0.173	39%	0.394	C	S	.	.			trans	-153.1	160.9	-165.3	54.7	-175.9	-159.1	0	0	112.5	I104 P124 H128 T143 P274 Y276	I104-E126 WeakPolarHBondContact CD1-O 2.92Å; P124-E126 HydrophobicContact CB-CG 4.25Å; P124-E126 HydrophobicContact CG-CG 4.42Å; E126-H128 IonicContact OE1-CD2 2.8Å; E126-H128 IonicContact OE1-CE1 2.82Å; E126-H128 IonicContact OE1-NE2 3.28Å; E126-H128 PolarHBondContact OE1-NE2 2.82Å; E126-H128 IonicContact OE2-NE2 3.81Å; E126-T143 HydrophobicContact CG-CG2 4.19Å; E126-T143 PolarHBondContact N-OG1 3.48Å; E126-T143 PolarHBondContact O-N 3.41Å; E126-T143 PolarHBondContact O-OG1 2.74Å; E126-P274 HydrophobicContact CB-CB 4.42Å; E126-Y276 HydrophobicContact CB-CD2 4.37Å; E126-Y276 HydrophobicContact CB-CE2 4.11Å; E126-Y276 WeakPolarHBondContact OE2-CE2 3.26Å
127	I	96.4	Very high	84.3	Confident	0 Å²	0	78 Å²	78	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.9	178.2	-54.7	171.8	0	0	0	108.4	I97 A100 I104 I129 I140 Q141 D142 T273 P274 I275 Y276	I97-I127 HydrophobicContact CD1-CG2 3.81Å; I97-I127 HydrophobicContact CG2-CD1 4.24Å; A100-I127 HydrophobicContact CB-CD1 3.66Å; A100-I127 HydrophobicContact CB-CG1 3.92Å; A100-I127 HydrophobicContact CB-CG2 4.2Å; I104-I127 HydrophobicContact CD1-CG1 3.81Å; I127-I129 HydrophobicContact CG2-CD1 4.11Å; I127-I140 HydrophobicContact CG2-CG2 4.15Å; I127-Q141 CarbonylContact C-O 3.57Å; I127-Q141 WeakPolarHBondContact CA-O 3.42Å; I127-D142 HydrophobicContact CG1-CB 4.47Å; I127-T273 HydrophobicContact CD1-CG2 4.06Å; I127-T273 HydrophobicContact CG1-CG2 3.85Å; I127-P274 PolarHBondContact N-O 2.91Å; I127-I275 HydrophobicContact CB-CG1 4.37Å; I127-I275 HydrophobicContact CD1-CG1 4.44Å; I127-I275 CarbonylContact O-C 3.37Å; I127-I275 WeakPolarHBondContact O-CA 3.45Å; I127-Y276 PolarHBondContact O-N 3.24Å
128	H	97.7	Very high	85.9	Confident	65 Å²	65	74.2 Å²	74.2	30%	0.301	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.9	178.9	-72.8	-97.3	0	0	0	110.7	E126 I140 Q141 Y276	E126-H128 IonicContact OE1-CD2 2.8Å; E126-H128 IonicContact OE1-CE1 2.82Å; E126-H128 IonicContact OE1-NE2 3.28Å; E126-H128 PolarHBondContact OE1-NE2 2.82Å; E126-H128 IonicContact OE2-NE2 3.81Å; H128-I140 CarbonylContact O-C 3.58Å; H128-I140 WeakPolarHBondContact O-CA 3Å; H128-Q141 PolarHBondContact N-O 3.14Å; H128-Q141 PolarHBondContact O-N 2.84Å; H128-Y276 CarbonylContact C-O 3.58Å; H128-Y276 WeakPolarHBondContact CA-O 3.45Å; H128-Y276 AromaticContact CE1-CD2 3.88Å; H128-Y276 AromaticContact CE1-CG 3.93Å
129	I	97.5	Very high	87.9	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.015	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.6	173.8	-58.4	93.1	0	0	0	108.1	I97 I127 L138 V139 I140 M260 L264 I275 Y276 L277 N278	I97-I129 HydrophobicContact CD1-CD1 3.84Å; I97-I129 HydrophobicContact CD1-CG1 4.11Å; I127-I129 HydrophobicContact CG2-CD1 4.11Å; I129-L138 HydrophobicContact CG2-CD1 3.62Å; I129-V139 CarbonylContact C-O 3.54Å; I129-V139 VanDerWaalsContact CA-O 3.27Å; I129-V139 WeakPolarHBondContact CA-O 3.49Å; I129-I140 HydrophobicContact CG1-CG1 4.11Å; I129-I140 HydrophobicContact CG1-CG2 4.49Å; I129-I140 HydrophobicContact CG2-CG1 4.44Å; I129-M260 HydrophobicContact CG2-CG 3.94Å; I129-M260 HydrophobicContact CG2-SD 4.35Å; I129-L264 HydrophobicContact CD1-CD1 4.07Å; I129-L264 HydrophobicContact CD1-CD2 4.26Å; I129-L264 HydrophobicContact CG1-CD1 4.49Å; I129-I275 HydrophobicContact CD1-CG2 3.24Å; I129-Y276 PolarHBondContact N-O 3.2Å; I129-L277 HydrophobicContact CB-CD1 3.98Å; I129-L277 HydrophobicContact CG2-CD1 3.77Å; I129-L277 WeakPolarHBondContact O-CA 3.43Å; I129-N278 PolarHBondContact O-N 3.13Å
130	K	97.5	Very high	90	Very high	126 Å²	126	58.2 Å²	58.2	55%	0.548	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.6	173.9	-178	179.4	179	176.4	0	110.4	V139 N278	K130-V139 HydrophobicContact CB-CB 4.2Å; K130-V139 PolarHBondContact N-O 3.46Å; K130-V139 PolarHBondContact O-N 3.15Å; K130-N278 WeakPolarHBondContact CA-OD1 3.24Å
131	T	97.4	Very high	91.9	Very high	18 Å²	18	57.5 Å²	57.5	11%	0.11	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	136.1	176.6	63.7	0	0	0	0	109.9	L138 S255 M260 L277 N278	T131-L138 HydrophobicContact CG2-CD1 3.85Å; T131-S255 VanDerWaalsContact CB-O 3.24Å; T131-S255 WeakPolarHBondContact CB-O 3.46Å; T131-M260 HydrophobicContact CG2-CB 4.01Å; T131-M260 HydrophobicContact CG2-CG 4.15Å; T131-L277 HydrophobicContact CG2-CD1 3.99Å; T131-N278 PolarHBondContact N-OD1 3.4Å; T131-N278 PolarHBondContact OG1-ND2 3.33Å
132	D	95.6	Very high	93.8	Very high	40 Å²	40	55.7 Å²	55.7	21%	0.214	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	97.6	176.7	-172.7	-28.4	0	0	0	109.8	A134 K135 K136 I137	D132-A134 VanDerWaalsContact C-N 3.33Å; D132-A134 PolarHBondContact O-N 3.38Å; D132-A134 PolarHBondContact OD1-N 3.43Å; D132-A134 VanDerWaalsContact OD1-N 3.17Å; D132-K135 HydrophobicContact CB-CB 4.45Å; D132-K135 PolarHBondContact O-N 3.18Å; D132-K135 PolarHBondContact OD1-N 3.38Å; D132-K135 WeakPolarHBondContact OD2-CD 3.2Å; D132-K136 WeakPolarHBondContact O-CA 3.33Å; D132-K136 PolarHBondContact O-N 3.4Å; D132-I137 HydrophobicContact CB-CB 4.39Å; D132-I137 PolarHBondContact N-O 2.85Å; D132-I137 PolarHBondContact O-N 3.06Å
133	E	95.1	Very high	95.1	Very high	113 Å²	113	49.9 Å²	49.9	53%	0.528	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-37.1	-179.3	-67.4	-171.5	-141.7	0	0	112.6	K135 K136 S255 K256	E133-K135 VanDerWaalsContact C-N 3.31Å; E133-K135 PolarHBondContact O-N 3.1Å; E133-K136 PolarHBondContact O-N 3.35Å; E133-S255 WeakPolarHBondContact CG-O 3.17Å; E133-K256 HydrophobicContact CG-CG 4.16Å
134	A	94.8	Very high	95.7	Very high	98 Å²	98	46.3 Å²	46.3	81%	0.81	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-37.1	-176.7	0	0	0	0	0	111.4	D132	D132-A134 VanDerWaalsContact C-N 3.33Å; D132-A134 PolarHBondContact O-N 3.38Å; D132-A134 PolarHBondContact OD1-N 3.43Å; D132-A134 VanDerWaalsContact OD1-N 3.17Å
135	K	95.4	Very high	95.9	Very high	144 Å²	144	43.2 Å²	43.2	63%	0.626	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-8	178	-61	-176.5	-173.4	170.3	0	113.8	D132 E133 I137	D132-K135 HydrophobicContact CB-CB 4.45Å; D132-K135 PolarHBondContact O-N 3.18Å; D132-K135 PolarHBondContact OD1-N 3.38Å; D132-K135 WeakPolarHBondContact OD2-CD 3.2Å; E133-K135 VanDerWaalsContact C-N 3.31Å; E133-K135 PolarHBondContact O-N 3.1Å; K135-I137 VanDerWaalsContact C-N 3.27Å; K135-I137 HydrophobicContact CB-CB 4.3Å; K135-I137 HydrophobicContact CB-CD1 3.66Å; K135-I137 HydrophobicContact CB-CG1 3.82Å; K135-I137 HydrophobicContact CD-CD1 4.13Å; K135-I137 PolarHBondContact O-N 3.12Å
136	K	96.1	Very high	95.9	Very high	79 Å²	79	42 Å²	42	34%	0.343	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	45.1	-170.2	-57.7	174.2	-178.4	169.6	0	111.5	D132 E133 L247 D249	D132-K136 WeakPolarHBondContact O-CA 3.33Å; D132-K136 PolarHBondContact O-N 3.4Å; E133-K136 PolarHBondContact O-N 3.35Å; K136-L247 HydrophobicContact CB-CB 4.4Å; K136-L247 VanDerWaalsContact O-CB 3.27Å; K136-L247 WeakPolarHBondContact O-CB 3.38Å; K136-L247 WeakPolarHBondContact O-CG 2.96Å; K136-L247 PolarHBondContact O-N 3.33Å; K136-D249 IonicContact NZ-OD1 3.49Å; K136-D249 PolarHBondContact NZ-OD1 3.28Å
137	I	96.8	Very high	95.8	Very high	28 Å²	28	41.8 Å²	41.8	14%	0.144	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.3	-178	-67.1	174	0	0	0	109.9	D132 K135 V139 V244 L245	D132-I137 HydrophobicContact CB-CB 4.39Å; D132-I137 PolarHBondContact N-O 2.85Å; D132-I137 PolarHBondContact O-N 3.06Å; K135-I137 VanDerWaalsContact C-N 3.27Å; K135-I137 HydrophobicContact CB-CB 4.3Å; K135-I137 HydrophobicContact CB-CD1 3.66Å; K135-I137 HydrophobicContact CB-CG1 3.82Å; K135-I137 HydrophobicContact CD-CD1 4.13Å; K135-I137 PolarHBondContact O-N 3.12Å; I137-V139 HydrophobicContact CG2-CG2 3.67Å; I137-V244 HydrophobicContact CG2-CG1 3.6Å; I137-L245 WeakPolarHBondContact CA-O 3.36Å
138	L	97.9	Very high	95.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128	165	176.5	63.2	0	0	0	108.8	F92 I129 T131 L245 L247 M260	F92-L138 HydrophobicContact CE2-CD2 3.55Å; F92-L138 HydrophobicContact CZ-CD2 3.55Å; I129-L138 HydrophobicContact CG2-CD1 3.62Å; T131-L138 HydrophobicContact CG2-CD1 3.85Å; L138-L245 HydrophobicContact CB-CB 4.29Å; L138-L245 HydrophobicContact CD2-CD1 4.16Å; L138-L245 PolarHBondContact N-O 3.47Å; L138-L245 PolarHBondContact O-N 3.14Å; L138-L247 HydrophobicContact CB-CD1 4.29Å; L138-L247 HydrophobicContact CB-CD2 4.28Å; L138-L247 HydrophobicContact CB-CG 4.44Å; L138-M260 HydrophobicContact CD1-CE 3.74Å; L138-M260 HydrophobicContact CD1-SD 4.49Å; L138-M260 HydrophobicContact CD2-CE 3.44Å; L138-M260 VanDerWaalsContact CD2-CE 3.44Å; L138-M260 HydrophobicContact CG-CE 4.27Å
139	V	98	Very high	95.2	Very high	23 Å²	23	43.8 Å²	43.8	14%	0.139	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.7	178.1	-174.1	0	0	0	0	109.1	I129 K130 I137 K242 I243 V244	I129-V139 CarbonylContact C-O 3.54Å; I129-V139 VanDerWaalsContact CA-O 3.27Å; I129-V139 WeakPolarHBondContact CA-O 3.49Å; K130-V139 HydrophobicContact CB-CB 4.2Å; K130-V139 PolarHBondContact N-O 3.46Å; K130-V139 PolarHBondContact O-N 3.15Å; I137-V139 HydrophobicContact CG2-CG2 3.67Å; V139-K242 HydrophobicContact CG1-CD 4.41Å; V139-K242 HydrophobicContact CG1-CG 3.9Å; V139-I243 CarbonylContact C-O 3.47Å; V139-I243 VanDerWaalsContact CA-O 3.3Å; V139-I243 WeakPolarHBondContact CA-O 3.39Å; V139-V244 HydrophobicContact CG1-CG2 4.32Å; V139-V244 HydrophobicContact CG2-CG1 4.36Å; V139-V244 HydrophobicContact CG2-CG2 4.3Å
140	I	97.6	Very high	94.8	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.9	169.4	-57.6	-174.8	0	0	0	107.7	L96 I97 I127 H128 I129 I243	L96-I140 HydrophobicContact CB-CD1 3.74Å; L96-I140 HydrophobicContact CD1-CD1 3.68Å; L96-I140 HydrophobicContact CG-CD1 4.39Å; I97-I140 HydrophobicContact CD1-CD1 4.45Å; I97-I140 HydrophobicContact CD1-CG2 4.26Å; I127-I140 HydrophobicContact CG2-CG2 4.15Å; H128-I140 CarbonylContact O-C 3.58Å; H128-I140 WeakPolarHBondContact O-CA 3Å; I129-I140 HydrophobicContact CG1-CG1 4.11Å; I129-I140 HydrophobicContact CG1-CG2 4.49Å; I129-I140 HydrophobicContact CG2-CG1 4.44Å; I140-I243 PolarHBondContact N-O 3.12Å; I140-I243 PolarHBondContact O-N 3.05Å
141	Q	97.8	Very high	94.5	Very high	51 Å²	51	44.6 Å²	44.6	24%	0.238	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128.2	-178.3	-178.7	168.7	-6	0	0	110.7	I127 H128 T241 K242	I127-Q141 CarbonylContact C-O 3.57Å; I127-Q141 WeakPolarHBondContact CA-O 3.42Å; H128-Q141 PolarHBondContact N-O 3.14Å; H128-Q141 PolarHBondContact O-N 2.84Å; Q141-T241 CarbonylContact C-O 3.59Å; Q141-T241 VanDerWaalsContact CA-O 3.25Å; Q141-T241 WeakPolarHBondContact CA-O 3.26Å; Q141-K242 HydrophobicContact CB-CB 4.2Å; Q141-K242 HydrophobicContact CB-CG 4.25Å; Q141-K242 HydrophobicContact CG-CB 3.96Å; Q141-K242 HydrophobicContact CG-CG 4.4Å
142	D	96.7	Very high	94.2	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.053	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	153.2	173	69.6	84.3	0	0	0	111.4	A100 I104 I127 G144 G240 T241	A100-D142 HydrophobicContact CB-CB 3.7Å; I104-D142 HydrophobicContact CD1-CB 4.14Å; I127-D142 HydrophobicContact CG1-CB 4.47Å; D142-G144 VanDerWaalsContact C-N 3.3Å; D142-G144 VanDerWaalsContact OD1-CA 3.29Å; D142-G144 WeakPolarHBondContact OD1-CA 3.44Å; D142-G144 PolarHBondContact OD1-N 3.38Å; D142-G240 WeakPolarHBondContact O-CA 3.25Å; D142-T241 PolarHBondContact N-O 3.44Å; D142-T241 PolarHBondContact O-N 3.09Å; D142-T241 VanDerWaalsContact O-N 3.15Å; D142-T241 WeakPolarHBondContact OD2-CB 3.25Å
143	T	94.7	Very high	94	Very high	28 Å²	28	47.1 Å²	47.1	17%	0.172	25%	0.248	C	C	.	.			trans	-99.1	33.3	170.6	57.4	0	0	0	0	111.3	L107 P124 L125 E126	L107-T143 VanDerWaalsContact CD2-O 3.29Å; L107-T143 WeakPolarHBondContact CD2-O 3.45Å; P124-T143 WeakPolarHBondContact O-CB 3.35Å; P124-T143 PolarHBondContact O-OG1 3.44Å; L125-T143 WeakPolarHBondContact CA-OG1 3.36Å; E126-T143 HydrophobicContact CG-CG2 4.19Å; E126-T143 PolarHBondContact N-OG1 3.48Å; E126-T143 PolarHBondContact O-N 3.41Å; E126-T143 PolarHBondContact O-OG1 2.74Å
144	G	92.9	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-81	-164.3	-179.8	0	0	0	0	0	113.3	I104 D142 G146 H208 G240	I104-G144 VanDerWaalsContact CG1-CA 3.5Å; D142-G144 VanDerWaalsContact C-N 3.3Å; D142-G144 VanDerWaalsContact OD1-CA 3.29Å; D142-G144 WeakPolarHBondContact OD1-CA 3.44Å; D142-G144 PolarHBondContact OD1-N 3.38Å; G144-G146 PolarHBondContact O-N 2.76Å; G144-G146 VanDerWaalsContact O-N 3.08Å; G144-H208 PolarHBondContact O-CD2 3.42Å; G144-H208 VanDerWaalsContact O-CD2 3.28Å; G144-G240 VanDerWaalsContact O-CA 3.27Å; G144-G240 WeakPolarHBondContact O-CA 3.5Å
145	I	91.3	Very high	93.6	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.046	21%	0.21	C	C	.	.			trans	-60.5	-24.3	-171.4	-169.8	61.4	0	0	0	114.3	A103 R106 L107 V116 S207 H208 R209	A103-I145 HydrophobicContact CB-CG2 4.31Å; A103-I145 PolarHBondContact O-N 3.06Å; R106-I145 HydrophobicContact CB-CB 4.28Å; R106-I145 HydrophobicContact CB-CG2 4.05Å; L107-I145 HydrophobicContact CB-CB 4.11Å; L107-I145 HydrophobicContact CB-CD1 4.41Å; L107-I145 HydrophobicContact CD1-CD1 3.82Å; V116-I145 HydrophobicContact CG2-CD1 4.36Å; I145-S207 WeakPolarHBondContact O-CA 3.22Å; I145-H208 HydrophobicContact CD1-CB 4.04Å; I145-H208 PolarHBondContact O-N 2.68Å; I145-R209 HydrophobicContact CD1-CG 4.21Å
146	G	92.8	Very high	93.4	Very high	5 Å²	5	36.7 Å²	36.7	5%	0.052	18%	0.184	C	C	.	.			trans	67.8	-175.9	-173.6	0	0	0	0	0	113	G144	G144-G146 PolarHBondContact O-N 2.76Å; G144-G146 VanDerWaalsContact O-N 3.08Å
147	M	92.4	Very high	92.9	Very high	33 Å²	33	34.1 Å²	34.1	16%	0.163	18%	0.181	C	C	.	.			trans	-137	139.9	179.2	-70.3	175.1	-78.1	0	0	110	E151 L152 N155 L156 S205 T241	M147-E151 HydrophobicContact CB-CB 3.9Å; M147-E151 HydrophobicContact CG-CB 4.16Å; M147-L152 HydrophobicContact CB-CD2 4.11Å; M147-L152 HydrophobicContact CB-CG 3.94Å; M147-L152 HydrophobicContact CE-CD2 3.6Å; M147-L152 HydrophobicContact SD-CD2 4.01Å; M147-N155 HydrophobicContact SD-CB 4.27Å; M147-L156 HydrophobicContact CE-CD1 4.36Å; M147-S205 PolarHBondContact N-OG 2.77Å; M147-T241 HydrophobicContact CE-CG2 4.18Å
148	S	89.9	Confident	92.2	Very high	19 Å²	19	36.2 Å²	36.2	13%	0.133	20%	0.195	C	C	.	.			trans	-71.5	168.1	163.9	64.4	0	0	0	0	111	T150 E151 L152	S148-T150 VanDerWaalsContact C-N 3.25Å; S148-T150 PolarHBondContact O-N 3.37Å; S148-T150 PolarHBondContact OG-OG1 2.89Å; S148-T150 VanDerWaalsContact OG-OG1 3.12Å; S148-E151 PolarHBondContact N-OE2 3.14Å; S148-E151 PolarHBondContact O-N 3.48Å; S148-E151 VanDerWaalsContact O-N 3.1Å; S148-E151 WeakPolarHBondContact OG-CG 3.46Å; S148-E151 PolarHBondContact OG-N 3.42Å; S148-E151 PolarHBondContact OG-OE2 3.37Å; S148-E151 VanDerWaalsContact OG-OE2 3.11Å; S148-L152 PolarHBondContact O-N 2.92Å
149	K	90.3	Very high	91.5	Very high	87 Å²	87	37.9 Å²	37.9	38%	0.378	20%	0.203	S	C	.	.	H	α-helix	trans	-53.2	-42.6	174.9	-167.1	173.9	-171.9	160.6	0	112.9	L152 E153 I231 D233	K149-L152 PolarHBondContact O-N 3.36Å; K149-E153 PolarHBondContact O-N 2.92Å; K149-E153 VanDerWaalsContact O-N 3.13Å; K149-I231 HydrophobicContact CD-CG2 4.49Å; K149-I231 HydrophobicContact CG-CG2 3.82Å; K149-D233 IonicContact NZ-OD1 2.78Å; K149-D233 PolarHBondContact NZ-OD1 3.49Å
150	T	90.3	Very high	90.7	Very high	98 Å²	98	40 Å²	40	60%	0.601	22%	0.224	S	C	*	.	H	α-helix	trans	-69.2	-36.9	178.5	64.4	0	0	0	0	112.5	S148 K154	S148-T150 VanDerWaalsContact C-N 3.25Å; S148-T150 PolarHBondContact O-N 3.37Å; S148-T150 PolarHBondContact OG-OG1 2.89Å; S148-T150 VanDerWaalsContact OG-OG1 3.12Å; T150-K154 WeakPolarHBondContact O-CB 3.23Å; T150-K154 PolarHBondContact O-N 3.26Å
151	E	90.8	Very high	90.1	Very high	48 Å²	48	41.5 Å²	41.5	22%	0.224	23%	0.23	C	C	.	.	H	α-helix	trans	-70	-34.4	175.2	-75.2	170.3	140.1	0	0	111.5	M147 S148 N155 R209	M147-E151 HydrophobicContact CB-CB 3.9Å; M147-E151 HydrophobicContact CG-CB 4.16Å; S148-E151 PolarHBondContact N-OE2 3.14Å; S148-E151 PolarHBondContact O-N 3.48Å; S148-E151 VanDerWaalsContact O-N 3.1Å; S148-E151 WeakPolarHBondContact OG-CG 3.46Å; S148-E151 PolarHBondContact OG-N 3.42Å; S148-E151 PolarHBondContact OG-OE2 3.37Å; S148-E151 VanDerWaalsContact OG-OE2 3.11Å; E151-N155 WeakPolarHBondContact O-CA 3.09Å; E151-N155 WeakPolarHBondContact O-CB 3.19Å; E151-N155 PolarHBondContact O-N 3.4Å; E151-N155 PolarHBondContact O-ND2 3.06Å; E151-R209 IonicContact OE1-NH1 3.28Å; E151-R209 PolarHBondContact OE1-NH1 2.73Å
152	L	91.5	Very high	89.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-48.8	172.7	-76.1	169.5	0	0	0	111.5	M147 S148 K149 K154 L156 G157 V203 I231	M147-L152 HydrophobicContact CB-CD2 4.11Å; M147-L152 HydrophobicContact CB-CG 3.94Å; M147-L152 HydrophobicContact CE-CD2 3.6Å; M147-L152 HydrophobicContact SD-CD2 4.01Å; S148-L152 PolarHBondContact O-N 2.92Å; K149-L152 PolarHBondContact O-N 3.36Å; L152-K154 VanDerWaalsContact C-N 3.34Å; L152-K154 PolarHBondContact O-N 2.51Å; L152-L156 HydrophobicContact CD2-CD1 3.58Å; L152-L156 HydrophobicContact CD2-CG 4.27Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 PolarHBondContact O-N 3.13Å; L152-G157 PolarHBondContact O-N 3.41Å; L152-V203 HydrophobicContact CD2-CG1 4.26Å; L152-I231 HydrophobicContact CB-CD1 4.25Å
153	E	90.7	Very high	88.7	Confident	112 Å²	112	39.9 Å²	39.9	52%	0.523	23%	0.227	S	C	.	.	H	α-helix	trans	-58	-47	177	-168.2	-174.9	168.5	0	0	111.2	K149 G157 Y229 I231	K149-E153 PolarHBondContact O-N 2.92Å; K149-E153 VanDerWaalsContact O-N 3.13Å; E153-G157 WeakPolarHBondContact O-CA 3.47Å; E153-G157 PolarHBondContact O-N 3.24Å; E153-G157 VanDerWaalsContact O-N 3.1Å; E153-Y229 WeakPolarHBondContact CG-OH 3.33Å; E153-I231 HydrophobicContact CB-CD1 4.08Å
154	K	91	Very high	88.1	Confident	88 Å²	88	39.3 Å²	39.3	38%	0.383	22%	0.224	S	C	.	.	H	α-helix	trans	-69.9	-49.4	-179.1	-164.9	-166.9	-178.1	-149.4	0	112.8	T150 L152 T158 H161 E166	T150-K154 WeakPolarHBondContact O-CB 3.23Å; T150-K154 PolarHBondContact O-N 3.26Å; L152-K154 VanDerWaalsContact C-N 3.34Å; L152-K154 PolarHBondContact O-N 2.51Å; K154-T158 VanDerWaalsContact O-CB 3.27Å; K154-T158 WeakPolarHBondContact O-CB 3.45Å; K154-T158 PolarHBondContact O-OG1 3.02Å; K154-H161 WeakPolarHBondContact CE-CE1 3.31Å; K154-H161 WeakPolarHBondContact CE-NE2 3.14Å; K154-H161 PolarHBondContact NZ-CE1 3.12Å; K154-H161 PolarHBondContact NZ-NE2 3.39Å; K154-H161 PolarHBondContact O-CD2 3.25Å; K154-E166 IonicContact NZ-OE1 2.85Å; K154-E166 PolarHBondContact NZ-OE1 2.82Å; K154-E166 IonicContact NZ-OE2 3.85Å; K154-E166 PolarHBondContact NZ-OE2 3.3Å
155	N	91.5	Very high	87.6	Confident	30 Å²	30	47.9 Å²	47.9	16%	0.16	26%	0.256	C	S	.	.	H	α-helix	trans	-83.4	-37.9	-170.3	-64.1	-40.9	0	0	0	113.8	M147 E151 H161	M147-N155 HydrophobicContact SD-CB 4.27Å; E151-N155 WeakPolarHBondContact O-CA 3.09Å; E151-N155 WeakPolarHBondContact O-CB 3.19Å; E151-N155 PolarHBondContact O-N 3.4Å; E151-N155 PolarHBondContact O-ND2 3.06Å; N155-H161 PolarHBondContact OD1-CD2 3.19Å
156	L	90.6	Very high	87.3	Confident	17 Å²	17	51.6 Å²	51.6	9%	0.089	27%	0.273	C	S	.	.	H	α-helix	trans	-97	-28.2	179.9	-55.3	-173.2	0	0	0	112	M147 L152 F191 Y192 V203 W220	M147-L156 HydrophobicContact CE-CD1 4.36Å; L152-L156 HydrophobicContact CD2-CD1 3.58Å; L152-L156 HydrophobicContact CD2-CG 4.27Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 PolarHBondContact O-N 3.13Å; L156-F191 HydrophobicContact CB-CE1 4.27Å; L156-F191 HydrophobicContact CD1-CE1 4.34Å; L156-F191 HydrophobicContact CD1-CE2 4.41Å; L156-F191 HydrophobicContact CD1-CZ 4.09Å; L156-F191 HydrophobicContact CD2-CB 4.38Å; L156-F191 HydrophobicContact CD2-CD1 3.84Å; L156-F191 HydrophobicContact CD2-CD2 4.07Å; L156-F191 HydrophobicContact CD2-CE1 4.09Å; L156-F191 HydrophobicContact CD2-CE2 4.32Å; L156-F191 HydrophobicContact CD2-CG 3.82Å; L156-F191 HydrophobicContact CD2-CZ 4.32Å; L156-F191 HydrophobicContact CG-CE1 4.47Å; L156-Y192 WeakPolarHBondContact O-CE1 3.29Å; L156-Y192 PolarHBondContact O-OH 2.92Å; L156-V203 HydrophobicContact CD1-CB 4.39Å; L156-V203 HydrophobicContact CD1-CG1 4.17Å; L156-V203 HydrophobicContact CD1-CG2 4.21Å; L156-W220 HydrophobicContact CD1-CD2 4.37Å; L156-W220 HydrophobicContact CD1-CG 4.43Å
157	G	85.1	Confident	86.8	Confident	26 Å²	26	52.2 Å²	52.2	27%	0.268	28%	0.275	S	S	.	.	H	α-helix	trans	-80.6	-15.3	179.2	0	0	0	0	0	115	L152 E153 Y229	L152-G157 PolarHBondContact O-N 3.41Å; E153-G157 WeakPolarHBondContact O-CA 3.47Å; E153-G157 PolarHBondContact O-N 3.24Å; E153-G157 VanDerWaalsContact O-N 3.1Å; G157-Y229 VanDerWaalsContact CA-CE1 3.45Å
158	T	83.4	Confident	86.2	Confident	71 Å²	71	52.9 Å²	52.9	44%	0.436	28%	0.281	S	S	.	.	S	Bend	trans	-116.3	110.6	-178.3	-51.7	0	0	0	0	111.8	K154 H161 Y192	K154-T158 VanDerWaalsContact O-CB 3.27Å; K154-T158 WeakPolarHBondContact O-CB 3.45Å; K154-T158 PolarHBondContact O-OG1 3.02Å; T158-H161 HydrophobicContact CG2-CB 3.91Å; T158-H161 VanDerWaalsContact O-CB 3.23Å; T158-H161 WeakPolarHBondContact O-CB 3.27Å; T158-H161 PolarHBondContact O-N 2.72Å; T158-H161 VanDerWaalsContact O-N 3.17Å; T158-Y192 PolarHBondContact O-OH 2.9Å
159	I	82.3	Confident	85.8	Confident	35 Å²	35	55.4 Å²	55.4	18%	0.179	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	138.7	177.7	-56.4	175	0	0	0	110.2	T74 L77 L78 H161 V189 Y192	T74-I159 HydrophobicContact CG2-CD1 3.74Å; L77-I159 HydrophobicContact CB-CD1 3.91Å; L78-I159 HydrophobicContact CD2-CD1 3.72Å; L78-I159 HydrophobicContact CD2-CG1 4.28Å; L78-I159 HydrophobicContact CG-CD1 3.74Å; I159-H161 PolarHBondContact O-N 2.64Å; I159-V189 HydrophobicContact CG2-CG1 4.27Å; I159-Y192 HydrophobicContact CB-CE2 4.26Å; I159-Y192 HydrophobicContact CG1-CE1 4.35Å; I159-Y192 HydrophobicContact CG1-CE2 3.97Å; I159-Y192 HydrophobicContact CG2-CE2 4.27Å; I159-Y192 PolarHBondContact N-OH 3.31Å
160	A	80.8	Confident	85.3	Confident	69 Å²	69	54.8 Å²	54.8	57%	0.57	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	14.1	-177	0	0	0	0	0	114.5	F187 G188 V189	A160-F187 WeakPolarHBondContact CA-O 3.49Å; A160-G188 WeakPolarHBondContact CA-O 3.3Å; A160-G188 PolarHBondContact N-O 2.9Å; A160-G188 VanDerWaalsContact N-O 3.07Å; A160-V189 HydrophobicContact CB-CG1 4.47Å
161	H	84.7	Confident	84.5	Confident	36 Å²	36	51 Å²	51	17%	0.167	28%	0.281	C	S	.	.			trans	-88.6	130.2	165.7	-167	69.4	0	0	0	110.3	K154 N155 T158 I159 E166 G188	K154-H161 WeakPolarHBondContact CE-CE1 3.31Å; K154-H161 WeakPolarHBondContact CE-NE2 3.14Å; K154-H161 PolarHBondContact NZ-CE1 3.12Å; K154-H161 PolarHBondContact NZ-NE2 3.39Å; K154-H161 PolarHBondContact O-CD2 3.25Å; N155-H161 PolarHBondContact OD1-CD2 3.19Å; T158-H161 HydrophobicContact CG2-CB 3.91Å; T158-H161 VanDerWaalsContact O-CB 3.23Å; T158-H161 WeakPolarHBondContact O-CB 3.27Å; T158-H161 PolarHBondContact O-N 2.72Å; T158-H161 VanDerWaalsContact O-N 3.17Å; I159-H161 PolarHBondContact O-N 2.64Å; H161-E166 IonicContact CE1-OE1 3.6Å; H161-E166 PolarHBondContact CE1-OE1 2.74Å; H161-E166 IonicContact NE2-OE1 3.55Å; H161-E166 IonicContact NE2-OE2 3.82Å; H161-G188 WeakPolarHBondContact O-CA 3.43Å
162	S	84.3	Confident	83.3	Confident	16 Å²	16	53.7 Å²	53.7	11%	0.112	30%	0.301	C	S	.	.			trans	-128.3	98.9	-178.7	-174.5	0	0	0	0	110.9	S164 R165 E166	S162-S164 PolarHBondContact O-N 2.97Å; S162-S164 WeakPolarHBondContact OG-CA 3.45Å; S162-R165 PolarHBondContact O-N 3.18Å; S162-R165 PolarHBondContact OG-N 3.12Å; S162-E166 PolarHBondContact O-N 3.43Å
163	G	81.1	Confident	81.7	Confident	10 Å²	10	56.5 Å²	56.5	10%	0.103	33%	0.33	C	S	.	.	H	α-helix	trans	-52.2	-44.3	166.7	0	0	0	0	0	110.5	R106 R165 E166 F167	R106-G163 PolarHBondContact NH2-O 3.38Å; G163-R165 PolarHBondContact O-N 3.42Å; G163-E166 PolarHBondContact O-N 2.77Å; G163-F167 PolarHBondContact O-N 3.29Å; G163-F167 VanDerWaalsContact O-N 3.14Å
164	S	82.4	Confident	80	Confident	17 Å²	17	56.4 Å²	56.4	12%	0.119	33%	0.333	C	S	.	.	H	α-helix	trans	-7.6	-79.7	150.3	35.1	0	0	0	0	115.3	D102 R106 S162 V168	D102-S164 WeakPolarHBondContact OD2-CB 3.23Å; D102-S164 PolarHBondContact OD2-OG 3.11Å; R106-S164 VanDerWaalsContact NH2-C 3.27Å; R106-S164 PolarHBondContact NH2-O 2.98Å; S162-S164 PolarHBondContact O-N 2.97Å; S162-S164 WeakPolarHBondContact OG-CA 3.45Å; S164-V168 PolarHBondContact O-N 2.87Å
165	R	82.6	Confident	77.9	Confident	179 Å²	179	61.3 Å²	61.3	68%	0.675	35%	0.354	S	S	*	.	H	α-helix	trans	-69.4	-40.3	-173	-175.5	177.5	176.1	170.1	-0.5	112.9	S162 G163 F167 V168 S169	S162-R165 PolarHBondContact O-N 3.18Å; S162-R165 PolarHBondContact OG-N 3.12Å; G163-R165 PolarHBondContact O-N 3.42Å; R165-F167 VanDerWaalsContact C-N 3.29Å; R165-F167 PolarHBondContact O-N 2.99Å; R165-V168 PolarHBondContact O-N 3.42Å; R165-S169 PolarHBondContact O-N 3.45Å; R165-S169 PolarHBondContact O-OG 3.47Å
166	E	84.9	Confident	75.9	Confident	87 Å²	87	67.3 Å²	67.3	41%	0.407	39%	0.386	S	S	.	.	H	α-helix	trans	-58.4	-43.2	178.5	-69.8	-172.7	157.3	0	0	111.1	K154 H161 S162 G163 S169 S170	K154-E166 IonicContact NZ-OE1 2.85Å; K154-E166 PolarHBondContact NZ-OE1 2.82Å; K154-E166 IonicContact NZ-OE2 3.85Å; K154-E166 PolarHBondContact NZ-OE2 3.3Å; H161-E166 IonicContact CE1-OE1 3.6Å; H161-E166 PolarHBondContact CE1-OE1 2.74Å; H161-E166 IonicContact NE2-OE1 3.55Å; H161-E166 IonicContact NE2-OE2 3.82Å; S162-E166 PolarHBondContact O-N 3.43Å; G163-E166 PolarHBondContact O-N 2.77Å; E166-S169 WeakPolarHBondContact CA-OG 3.38Å; E166-S169 PolarHBondContact O-N 3.42Å; E166-S169 PolarHBondContact O-OG 3.42Å; E166-S170 PolarHBondContact O-N 2.94Å
167	F	82.8	Confident	74	Confident	18 Å²	18	71 Å²	71	8%	0.079	41%	0.406	C	S	.	.	H	α-helix	trans	-64	-41.7	176.9	-179.4	-104.3	0	0	0	113.4	R106 F109 G163 R165 S169 S170 I171 I181 I183	R106-F167 HydrophobicContact CB-CE1 4.41Å; R106-F167 HydrophobicContact CB-CZ 4.24Å; R106-F167 HydrophobicContact CG-CD1 3.84Å; R106-F167 HydrophobicContact CG-CD2 4.41Å; R106-F167 HydrophobicContact CG-CE1 3.75Å; R106-F167 HydrophobicContact CG-CE2 4.34Å; R106-F167 HydrophobicContact CG-CG 4.16Å; R106-F167 HydrophobicContact CG-CZ 4Å; F109-F167 HydrophobicContact CB-CZ 4Å; F109-F167 HydrophobicContact CD1-CE2 4.08Å; F109-F167 AromaticContact CD1-CZ 3.59Å; F109-F167 HydrophobicContact CD1-CZ 3.59Å; F109-F167 HydrophobicContact CE1-CZ 4.34Å; F109-F167 AromaticContact CG-CZ 3.94Å; F109-F167 HydrophobicContact CG-CZ 3.94Å; G163-F167 PolarHBondContact O-N 3.29Å; G163-F167 VanDerWaalsContact O-N 3.14Å; R165-F167 VanDerWaalsContact C-N 3.29Å; R165-F167 PolarHBondContact O-N 2.99Å; F167-S169 VanDerWaalsContact C-N 3.31Å; F167-S169 PolarHBondContact O-N 2.87Å; F167-S170 PolarHBondContact O-N 2.91Å; F167-S170 PolarHBondContact O-OG 3Å; F167-I171 HydrophobicContact CD1-CD1 3.81Å; F167-I171 HydrophobicContact CD2-CD1 4.14Å; F167-I171 HydrophobicContact CE1-CD1 3.38Å; F167-I171 HydrophobicContact CE2-CD1 3.74Å; F167-I171 HydrophobicContact CG-CD1 4.18Å; F167-I171 HydrophobicContact CZ-CD1 3.35Å; F167-I171 WeakPolarHBondContact O-CG1 3.29Å; F167-I171 PolarHBondContact O-N 2.73Å; F167-I181 HydrophobicContact CE1-CD1 4.13Å; F167-I181 HydrophobicContact CE1-CG2 4.38Å; F167-I183 HydrophobicContact CD1-CD1 4.42Å; F167-I183 HydrophobicContact CD1-CG1 4.43Å
168	V	79.6	Confident	72.1	Confident	47 Å²	47	78.9 Å²	78.9	29%	0.285	44%	0.436	S	S	.	.	H	α-helix	trans	-65.3	-40.2	176.8	176.8	0	0	0	0	110.3	S164 R165 S170 I171 T172 I183	S164-V168 PolarHBondContact O-N 2.87Å; R165-V168 PolarHBondContact O-N 3.42Å; V168-S170 VanDerWaalsContact C-N 3.33Å; V168-S170 PolarHBondContact O-N 3.27Å; V168-I171 PolarHBondContact O-N 3.24Å; V168-T172 HydrophobicContact CG1-CG2 4.31Å; V168-T172 WeakPolarHBondContact O-CG2 3.42Å; V168-T172 PolarHBondContact O-N 3.23Å; V168-T172 PolarHBondContact O-OG1 3.32Å; V168-I183 HydrophobicContact CG2-CB 3.76Å; V168-I183 HydrophobicContact CG2-CG1 3.71Å; V168-I183 HydrophobicContact CG2-CG2 3.87Å
169	S	80.1	Confident	70.5	Confident	73 Å²	73	84.5 Å²	84.5	51%	0.51	45%	0.454	S	S	.	.	H	α-helix	trans	-65.5	-33.8	177.7	68.8	0	0	0	0	113.2	R165 E166 F167 I171 T172 G173	R165-S169 PolarHBondContact O-N 3.45Å; R165-S169 PolarHBondContact O-OG 3.47Å; E166-S169 WeakPolarHBondContact CA-OG 3.38Å; E166-S169 PolarHBondContact O-N 3.42Å; E166-S169 PolarHBondContact O-OG 3.42Å; F167-S169 VanDerWaalsContact C-N 3.31Å; F167-S169 PolarHBondContact O-N 2.87Å; S169-I171 VanDerWaalsContact C-N 3.32Å; S169-I171 PolarHBondContact O-N 3.21Å; S169-T172 WeakPolarHBondContact CA-OG1 3.41Å; S169-T172 PolarHBondContact O-OG1 2.9Å; S169-G173 PolarHBondContact O-N 3.02Å
170	S	79.7	Confident	69.3	Low	74 Å²	74	87 Å²	87	52%	0.517	48%	0.475	S	S	.	.	H	α-helix	trans	-72.5	-26.6	177.8	67.2	0	0	0	0	113	E166 F167 V168	E166-S170 PolarHBondContact O-N 2.94Å; F167-S170 PolarHBondContact O-N 2.91Å; F167-S170 PolarHBondContact O-OG 3Å; V168-S170 VanDerWaalsContact C-N 3.33Å; V168-S170 PolarHBondContact O-N 3.27Å
171	I	74.4	Confident	68.5	Low	18 Å²	18	85.1 Å²	85.1	9%	0.092	46%	0.455	C	S	.	.	H	α-helix	trans	-86.7	-40.2	-179.5	-63.7	169.3	0	0	0	111.6	F109 F167 V168 S169 G173 N174 I181	F109-I171 HydrophobicContact CD1-CD1 3.91Å; F109-I171 HydrophobicContact CD2-CD1 4.38Å; F109-I171 HydrophobicContact CE1-CD1 3.59Å; F109-I171 HydrophobicContact CE1-CG1 4.08Å; F109-I171 HydrophobicContact CE2-CD1 4.11Å; F109-I171 HydrophobicContact CE2-CG2 4.38Å; F109-I171 HydrophobicContact CG-CD1 4.29Å; F109-I171 HydrophobicContact CZ-CD1 3.7Å; F109-I171 HydrophobicContact CZ-CG1 3.99Å; F109-I171 HydrophobicContact CZ-CG2 4.24Å; F167-I171 HydrophobicContact CD1-CD1 3.81Å; F167-I171 HydrophobicContact CD2-CD1 4.14Å; F167-I171 HydrophobicContact CE1-CD1 3.38Å; F167-I171 HydrophobicContact CE2-CD1 3.74Å; F167-I171 HydrophobicContact CG-CD1 4.18Å; F167-I171 HydrophobicContact CZ-CD1 3.35Å; F167-I171 WeakPolarHBondContact O-CG1 3.29Å; F167-I171 PolarHBondContact O-N 2.73Å; V168-I171 PolarHBondContact O-N 3.24Å; S169-I171 VanDerWaalsContact C-N 3.32Å; S169-I171 PolarHBondContact O-N 3.21Å; I171-G173 PolarHBondContact O-N 2.71Å; I171-N174 PolarHBondContact O-N 2.77Å; I171-N174 VanDerWaalsContact O-N 3.1Å; I171-I181 HydrophobicContact CB-CD1 4.2Å; I171-I181 HydrophobicContact CD1-CD1 3.17Å; I171-I181 HydrophobicContact CG1-CD1 4.21Å; I171-I181 HydrophobicContact CG2-CD1 3.79Å
172	T	64.8	Low	67.8	Low	105 Å²	105	85.6 Å²	85.6	64%	0.644	46%	0.459	S	S	*	.	H	α-helix	trans	-66.3	-20.2	178.9	45	0	0	0	0	113.8	V168 S169 N174	V168-T172 HydrophobicContact CG1-CG2 4.31Å; V168-T172 WeakPolarHBondContact O-CG2 3.42Å; V168-T172 PolarHBondContact O-N 3.23Å; V168-T172 PolarHBondContact O-OG1 3.32Å; S169-T172 WeakPolarHBondContact CA-OG1 3.41Å; S169-T172 PolarHBondContact O-OG1 2.9Å; T172-N174 VanDerWaalsContact C-N 3.25Å; T172-N174 PolarHBondContact O-N 3.5Å
173	G	58.5	Low	67.5	Low	59 Å²	59	84.9 Å²	84.9	61%	0.608	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.1	171.3	0	0	0	0	0	114.5	S169 I171	S169-G173 PolarHBondContact O-N 3.02Å; I171-G173 PolarHBondContact O-N 2.71Å
174	N	56.3	Low	67.3	Low	109 Å²	109	85 Å²	85	58%	0.583	45%	0.452	S	S	*	.	S	Bend	trans	-93.7	106.2	178.6	-75.3	-17.1	0	0	0	110.2	I171 T172 D176 N177	I171-N174 PolarHBondContact O-N 2.77Å; I171-N174 VanDerWaalsContact O-N 3.1Å; T172-N174 VanDerWaalsContact C-N 3.25Å; T172-N174 PolarHBondContact O-N 3.5Å; N174-D176 PolarHBondContact O-N 3.32Å; N174-N177 PolarHBondContact O-N 3.4Å
175	K	46.2	Very low	67	Low	192 Å²	192	84.5 Å²	84.5	84%	0.835	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-17.2	-175.3	-73	-176.6	176.1	179.4	0	115.5
176	D	49.4	Very low	66.6	Low	156 Å²	156	80 Å²	80	83%	0.834	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.6	-172.5	-67	-31.5	0	0	0	115.2	N174	N174-D176 PolarHBondContact O-N 3.32Å
177	N	50.6	Low	66.3	Low	94 Å²	94	78.9 Å²	78.9	50%	0.503	43%	0.43	S	S	.	.			trans	-117.4	59	-176.9	-82.3	-21	0	0	0	113.2	N174 K179	N174-N177 PolarHBondContact O-N 3.4Å; N177-K179 PolarHBondContact O-N 3.43Å
178	Q	44.6	Very low	66.3	Low	192 Å²	192	79 Å²	79	90%	0.897	44%	0.437	S	S	*	.			trans	-66.9	16.5	176	-79.7	-175.2	-11.6	0	0	115.6	S180	Q178-S180 PolarHBondContact O-N 2.99Å
179	K	51.5	Low	66.5	Low	188 Å²	188	77.2 Å²	77.2	82%	0.817	43%	0.426	S	S	*	.			trans	-75	112.2	168.6	-77.2	-173.9	178	-180	0	108.3	N177 I181	N177-K179 PolarHBondContact O-N 3.43Å; K179-I181 PolarHBondContact O-N 3Å; K179-I181 VanDerWaalsContact O-N 3.1Å
180	S	56.1	Low	66.9	Low	89 Å²	89	74.1 Å²	74.1	62%	0.622	41%	0.405	S	S	*	.			trans	-52.7	113.7	169.7	51.4	0	0	0	0	109	Q178	Q178-S180 PolarHBondContact O-N 2.99Å
181	I	64	Low	67.4	Low	29 Å²	29	71.3 Å²	71.3	15%	0.149	38%	0.383	C	S	.	.			trans	-82.6	125.9	173.8	-56.2	177.5	0	0	0	107.1	E105 F109 F167 I171 K179 I183	E105-I181 HydrophobicContact CG-CG2 3.81Å; F109-I181 HydrophobicContact CD2-CD1 3.77Å; F109-I181 HydrophobicContact CE2-CD1 3.96Å; F109-I181 HydrophobicContact CG-CD1 4.3Å; F167-I181 HydrophobicContact CE1-CD1 4.13Å; F167-I181 HydrophobicContact CE1-CG2 4.38Å; I171-I181 HydrophobicContact CB-CD1 4.2Å; I171-I181 HydrophobicContact CD1-CD1 3.17Å; I171-I181 HydrophobicContact CG1-CD1 4.21Å; I171-I181 HydrophobicContact CG2-CD1 3.79Å; K179-I181 PolarHBondContact O-N 3Å; K179-I181 VanDerWaalsContact O-N 3.1Å; I181-I183 HydrophobicContact CB-CG1 4.34Å; I181-I183 HydrophobicContact CG2-CD1 3.96Å; I181-I183 HydrophobicContact CG2-CG1 3.65Å; I181-I183 PolarHBondContact O-N 3.4Å
182	D	69.6	Low	68.2	Low	46 Å²	46	71 Å²	71	25%	0.246	38%	0.381	C	S	.	.			trans	-71.4	57.2	-179	-76	1.1	0	0	0	111.4	K360	D182-K360 IonicContact OD2-NZ 2.73Å; D182-K360 PolarHBondContact OD2-NZ 2.96Å
183	I	78.7	Confident	69.4	Low	1 Å²	1	66 Å²	66	1%	0.005	35%	0.351	C	S	.	.			trans	-87.2	127.3	173.7	-62.5	-57.5	0	0	0	109.7	D102 E105 R106 F167 V168 I181 R359	D102-I183 HydrophobicContact CB-CD1 4.31Å; D102-I183 WeakPolarHBondContact OD1-CA 3.1Å; E105-I183 HydrophobicContact CB-CD1 4.24Å; E105-I183 HydrophobicContact CG-CD1 4.48Å; R106-I183 HydrophobicContact CG-CD1 4.24Å; F167-I183 HydrophobicContact CD1-CD1 4.42Å; F167-I183 HydrophobicContact CD1-CG1 4.43Å; V168-I183 HydrophobicContact CG2-CB 3.76Å; V168-I183 HydrophobicContact CG2-CG1 3.71Å; V168-I183 HydrophobicContact CG2-CG2 3.87Å; I181-I183 HydrophobicContact CB-CG1 4.34Å; I181-I183 HydrophobicContact CG2-CD1 3.96Å; I181-I183 HydrophobicContact CG2-CG1 3.65Å; I181-I183 PolarHBondContact O-N 3.4Å; I183-R359 PolarHBondContact O-NH1 3.31Å
184	I	76.1	Confident	71.1	Confident	11 Å²	11	63.3 Å²	63.3	6%	0.056	32%	0.322	C	S	.	.			trans	-92.5	-39.2	-178.7	-60.5	157.6	0	0	0	110.9	D102 V361 R393	D102-I184 PolarHBondContact OD1-N 3.28Å; I184-V361 HydrophobicContact CD1-CG2 3.53Å; I184-V361 HydrophobicContact CG1-CG2 3.88Å; I184-V361 HydrophobicContact CG2-CG2 4.13Å; I184-R393 PolarHBondContact O-NH1 3.15Å; I184-R393 PolarHBondContact O-NH2 2.7Å
185	G	75.6	Confident	72.8	Confident	8 Å²	8	58.8 Å²	58.8	8%	0.082	30%	0.298	C	S	.	.			trans	-73.5	128.1	-173.7	0	0	0	0	0	114.5	D102	D102-G185 VanDerWaalsContact OD2-CA 3.27Å; D102-G185 WeakPolarHBondContact OD2-CA 3.37Å; D102-G185 PolarHBondContact OD2-N 3.38Å
186	Q	75.7	Confident	75	Confident	84 Å²	84	50.4 Å²	50.4	39%	0.393	26%	0.262	S	S	.	.			trans	-132.2	-37	-178.7	-63	-175.9	3.5	0	0	114.5
187	F	78.7	Confident	77.1	Confident	64 Å²	64	43 Å²	43	28%	0.281	22%	0.222	S	C	.	.	S	Bend	trans	-91.4	-27.3	-167.3	-58.1	-66.1	0	0	0	115.3	A160 V189 L391 R393	A160-F187 WeakPolarHBondContact CA-O 3.49Å; F187-V189 HydrophobicContact CB-CG2 4.01Å; F187-L391 HydrophobicContact CB-CD1 3.65Å; F187-L391 HydrophobicContact CD1-CD1 3.76Å; F187-L391 HydrophobicContact CD2-CD1 4.02Å; F187-L391 HydrophobicContact CE1-CD1 4.42Å; F187-L391 HydrophobicContact CG-CD1 3.55Å; F187-R393 HydrophobicContact CE2-CG 4.48Å
188	G	81.8	Confident	79.2	Confident	20 Å²	20	38.5 Å²	38.5	21%	0.206	20%	0.198	C	C	.	.	S	Bend	trans	75.3	27.5	-176.3	0	0	0	0	0	114.5	A160 H161	A160-G188 WeakPolarHBondContact CA-O 3.3Å; A160-G188 PolarHBondContact N-O 2.9Å; A160-G188 VanDerWaalsContact N-O 3.07Å; H161-G188 WeakPolarHBondContact O-CA 3.43Å
189	V	85.2	Confident	81.6	Confident	10 Å²	10	33.9 Å²	33.9	6%	0.061	18%	0.18	C	C	.	.			trans	-124.2	-13.7	177.2	-59.5	0	0	0	0	114.3	L85 I159 A160 F187 F191 Y192 L391	L85-V189 HydrophobicContact CD2-CG2 4.15Å; I159-V189 HydrophobicContact CG2-CG1 4.27Å; A160-V189 HydrophobicContact CB-CG1 4.47Å; F187-V189 HydrophobicContact CB-CG2 4.01Å; V189-F191 VanDerWaalsContact C-N 3.28Å; V189-F191 PolarHBondContact O-N 3.21Å; V189-Y192 WeakPolarHBondContact O-CD2 3.39Å; V189-Y192 PolarHBondContact O-N 3.37Å; V189-Y192 VanDerWaalsContact O-N 3.17Å; V189-L391 HydrophobicContact CG2-CD1 3.66Å; V189-L391 HydrophobicContact CG2-CG 4.1Å
190	G	86.8	Confident	83.7	Confident	7 Å²	7	29 Å²	29	7%	0.072	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-60.5	-32.9	-173	0	0	0	0	0	114	E95 Y192 A193	E95-G190 WeakPolarHBondContact CB-O 3.28Å; E95-G190 WeakPolarHBondContact OE2-CA 3.49Å; G190-Y192 VanDerWaalsContact C-N 3.32Å; G190-Y192 PolarHBondContact O-N 3.23Å; G190-A193 WeakPolarHBondContact O-CB 3.36Å; G190-A193 PolarHBondContact O-N 2.7Å
191	F	92	Very high	85.6	Confident	15 Å²	15	24.8 Å²	24.8	7%	0.066	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-60.3	-39.2	177.4	172.2	-106.2	0	0	0	113	L96 L156 V189 A193 C194 V201 V203 W220 I243	L96-F191 HydrophobicContact CD2-CD2 4.34Å; L156-F191 HydrophobicContact CB-CE1 4.27Å; L156-F191 HydrophobicContact CD1-CE1 4.34Å; L156-F191 HydrophobicContact CD1-CE2 4.41Å; L156-F191 HydrophobicContact CD1-CZ 4.09Å; L156-F191 HydrophobicContact CD2-CB 4.38Å; L156-F191 HydrophobicContact CD2-CD1 3.84Å; L156-F191 HydrophobicContact CD2-CD2 4.07Å; L156-F191 HydrophobicContact CD2-CE1 4.09Å; L156-F191 HydrophobicContact CD2-CE2 4.32Å; L156-F191 HydrophobicContact CD2-CG 3.82Å; L156-F191 HydrophobicContact CD2-CZ 4.32Å; L156-F191 HydrophobicContact CG-CE1 4.47Å; V189-F191 VanDerWaalsContact C-N 3.28Å; V189-F191 PolarHBondContact O-N 3.21Å; F191-A193 PolarHBondContact O-N 3.28Å; F191-A193 VanDerWaalsContact O-N 3.11Å; F191-C194 WeakPolarHBondContact O-CB 3.47Å; F191-C194 PolarHBondContact O-N 2.91Å; F191-C194 VanDerWaalsContact O-N 3.16Å; F191-C194 PolarHBondContact O-SG 3.05Å; F191-V201 HydrophobicContact CE2-CG1 4.32Å; F191-V201 HydrophobicContact CZ-CG1 4.04Å; F191-V203 HydrophobicContact CE2-CG2 3.88Å; F191-V203 HydrophobicContact CZ-CG2 3.84Å; F191-W220 AromaticContact CE1-CH2 3.68Å; F191-W220 HydrophobicContact CE1-CH2 3.68Å; F191-W220 HydrophobicContact CE1-CZ2 4.22Å; F191-W220 HydrophobicContact CE1-CZ3 4.04Å; F191-W220 HydrophobicContact CZ-CE3 4.33Å; F191-W220 AromaticContact CZ-CH2 3.86Å; F191-W220 HydrophobicContact CZ-CH2 3.86Å; F191-W220 AromaticContact CZ-CZ3 3.71Å; F191-W220 HydrophobicContact CZ-CZ3 3.71Å; F191-I243 HydrophobicContact CD2-CD1 4.46Å; F191-I243 HydrophobicContact CE2-CD1 4.26Å
192	Y	90.7	Very high	87.2	Confident	12 Å²	12	23.8 Å²	23.8	5%	0.047	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-70.4	-10	-176.6	-51.2	-74.6	0	0	0	112.9	L78 L156 T158 I159 V189 G190 C194 F195	L78-Y192 HydrophobicContact CD2-CD1 3.5Å; L78-Y192 HydrophobicContact CD2-CE1 3.98Å; L78-Y192 HydrophobicContact CD2-CG 3.97Å; L156-Y192 WeakPolarHBondContact O-CE1 3.29Å; L156-Y192 PolarHBondContact O-OH 2.92Å; T158-Y192 PolarHBondContact O-OH 2.9Å; I159-Y192 HydrophobicContact CB-CE2 4.26Å; I159-Y192 HydrophobicContact CG1-CE1 4.35Å; I159-Y192 HydrophobicContact CG1-CE2 3.97Å; I159-Y192 HydrophobicContact CG2-CE2 4.27Å; I159-Y192 PolarHBondContact N-OH 3.31Å; V189-Y192 WeakPolarHBondContact O-CD2 3.39Å; V189-Y192 PolarHBondContact O-N 3.37Å; V189-Y192 VanDerWaalsContact O-N 3.17Å; G190-Y192 VanDerWaalsContact C-N 3.32Å; G190-Y192 PolarHBondContact O-N 3.23Å; Y192-C194 PolarHBondContact O-N 3.14Å; Y192-C194 VanDerWaalsContact O-N 3.14Å; Y192-F195 HydrophobicContact CD1-CD2 4.4Å; Y192-F195 HydrophobicContact CD1-CE2 4.09Å; Y192-F195 PolarHBondContact O-N 3.22Å; Y192-F195 VanDerWaalsContact O-N 3.07Å
193	A	90.4	Very high	88.6	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.008	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-55.7	-24.8	169.1	0	0	0	0	0	112.6	Y86 F92 E95 G190 F191 F195 M196	Y86-A193 HydrophobicContact CD2-CB 4.32Å; Y86-A193 HydrophobicContact CE2-CB 3.71Å; F92-A193 HydrophobicContact CB-CB 3.85Å; F92-A193 WeakPolarHBondContact CB-O 3.41Å; E95-A193 HydrophobicContact CB-CB 4.47Å; E95-A193 HydrophobicContact CG-CB 4.28Å; G190-A193 WeakPolarHBondContact O-CB 3.36Å; G190-A193 PolarHBondContact O-N 2.7Å; F191-A193 PolarHBondContact O-N 3.28Å; F191-A193 VanDerWaalsContact O-N 3.11Å; A193-F195 PolarHBondContact O-N 3.46Å; A193-M196 HydrophobicContact CB-CE 3.94Å; A193-M196 VanDerWaalsContact O-CB 3.29Å; A193-M196 WeakPolarHBondContact O-CB 3.28Å; A193-M196 VanDerWaalsContact O-CG 3.3Å; A193-M196 WeakPolarHBondContact O-CG 3.46Å; A193-M196 PolarHBondContact O-N 3.24Å; A193-M196 VanDerWaalsContact O-N 3.13Å
194	C	93.3	Very high	89.5	Confident	1 Å²	1	25 Å²	25	1%	0.007	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-54.6	-38	173.6	-62.6	0	0	0	0	113	L96 F191 Y192 M196 V197 A198 V201 L245	L96-C194 VanDerWaalsContact CD2-SG 3.59Å; F191-C194 WeakPolarHBondContact O-CB 3.47Å; F191-C194 PolarHBondContact O-N 2.91Å; F191-C194 VanDerWaalsContact O-N 3.16Å; F191-C194 PolarHBondContact O-SG 3.05Å; Y192-C194 PolarHBondContact O-N 3.14Å; Y192-C194 VanDerWaalsContact O-N 3.14Å; C194-M196 PolarHBondContact O-N 3.07Å; C194-V197 VanDerWaalsContact O-CG2 3.28Å; C194-V197 WeakPolarHBondContact O-CG2 3.37Å; C194-V197 PolarHBondContact O-N 2.99Å; C194-A198 WeakPolarHBondContact O-CB 3.33Å; C194-A198 PolarHBondContact O-N 3.17Å; C194-V201 HydrophobicContact CB-CG2 3.78Å; C194-L245 HydrophobicContact CB-CD2 3.74Å
195	F	92.2	Very high	90.4	Very high	14 Å²	14	24.5 Å²	24.5	6%	0.061	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-72	-9.3	-176.4	-63	-64.8	0	0	0	113.2	Y192 A193 V197 V201 W220 G224 K248	Y192-F195 HydrophobicContact CD1-CD2 4.4Å; Y192-F195 HydrophobicContact CD1-CE2 4.09Å; Y192-F195 PolarHBondContact O-N 3.22Å; Y192-F195 VanDerWaalsContact O-N 3.07Å; A193-F195 PolarHBondContact O-N 3.46Å; F195-V197 PolarHBondContact O-N 2.86Å; F195-V201 HydrophobicContact CD1-CG2 4.01Å; F195-V201 HydrophobicContact CE1-CB 4.09Å; F195-V201 HydrophobicContact CE1-CG2 3.58Å; F195-V201 HydrophobicContact CZ-CB 4.27Å; F195-V201 HydrophobicContact CZ-CG2 4.05Å; F195-W220 HydrophobicContact CZ-CH2 4Å; F195-G224 VanDerWaalsContact CE1-CA 3.42Å; F195-K248 PolarHBondContact O-NZ 2.92Å
196	M	91.3	Very high	91.1	Very high	16 Å²	16	28.3 Å²	28.3	8%	0.079	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-62.5	-35.1	166.6	-60.9	-160	-76.8	0	0	111.6	S82 Y86 F92 A193 C194	S82-M196 VanDerWaalsContact O-CG 3.29Å; S82-M196 WeakPolarHBondContact O-CG 3.44Å; Y86-M196 HydrophobicContact CD2-CE 3.51Å; Y86-M196 HydrophobicContact CD2-SD 3.71Å; Y86-M196 HydrophobicContact CE2-CE 4.29Å; Y86-M196 HydrophobicContact CG-CE 3.93Å; Y86-M196 HydrophobicContact CG-SD 4.24Å; F92-M196 HydrophobicContact CB-CE 4.18Å; A193-M196 HydrophobicContact CB-CE 3.94Å; A193-M196 VanDerWaalsContact O-CB 3.29Å; A193-M196 WeakPolarHBondContact O-CB 3.28Å; A193-M196 VanDerWaalsContact O-CG 3.3Å; A193-M196 WeakPolarHBondContact O-CG 3.46Å; A193-M196 PolarHBondContact O-N 3.24Å; A193-M196 VanDerWaalsContact O-N 3.13Å; C194-M196 PolarHBondContact O-N 3.07Å
197	V	94.6	Very high	91.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	-16.7	-168.3	-61.5	0	0	0	0	114.3	K89 F92 C194 F195 L245 L247 K248 A251 F254	K89-V197 HydrophobicContact CB-CG1 4.2Å; F92-V197 HydrophobicContact CD1-CB 4.21Å; F92-V197 HydrophobicContact CD1-CG1 3.59Å; F92-V197 HydrophobicContact CD1-CG2 3.59Å; F92-V197 HydrophobicContact CD2-CG2 4.01Å; F92-V197 HydrophobicContact CE1-CB 4.19Å; F92-V197 HydrophobicContact CE1-CG1 3.76Å; F92-V197 HydrophobicContact CE1-CG2 3.7Å; F92-V197 HydrophobicContact CE2-CG2 4.07Å; F92-V197 HydrophobicContact CG-CG1 4.47Å; F92-V197 HydrophobicContact CG-CG2 3.8Å; F92-V197 HydrophobicContact CZ-CG2 3.93Å; C194-V197 VanDerWaalsContact O-CG2 3.28Å; C194-V197 WeakPolarHBondContact O-CG2 3.37Å; C194-V197 PolarHBondContact O-N 2.99Å; F195-V197 PolarHBondContact O-N 2.86Å; V197-L245 HydrophobicContact CG2-CD1 4.43Å; V197-L247 HydrophobicContact CB-CD2 4.39Å; V197-L247 HydrophobicContact CG2-CD2 4.23Å; V197-L247 WeakPolarHBondContact O-CA 3.39Å; V197-K248 WeakPolarHBondContact O-CB 3.04Å; V197-K248 PolarHBondContact O-N 3.16Å; V197-A251 HydrophobicContact CB-CB 3.82Å; V197-A251 HydrophobicContact CG1-CB 4.11Å; V197-A251 WeakPolarHBondContact O-CB 3.37Å; V197-F254 HydrophobicContact CB-CD2 4.19Å; V197-F254 HydrophobicContact CB-CE2 4.33Å; V197-F254 HydrophobicContact CG1-CD2 3.86Å; V197-F254 HydrophobicContact CG1-CE2 3.52Å; V197-F254 HydrophobicContact CG1-CZ 4.39Å
198	A	95.3	Very high	92	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.3	-176.9	0	0	0	0	0	112.4	C194 V201 L245 H246 K248	C194-A198 WeakPolarHBondContact O-CB 3.33Å; C194-A198 PolarHBondContact O-N 3.17Å; A198-V201 HydrophobicContact CB-CG2 3.95Å; A198-L245 HydrophobicContact CB-CB 4.08Å; A198-L245 HydrophobicContact CB-CD2 4.31Å; A198-H246 CarbonylContact C-O 3.58Å; A198-H246 WeakPolarHBondContact CA-O 3.33Å; A198-H246 WeakPolarHBondContact CB-O 3.13Å; A198-K248 VanDerWaalsContact O-CE 3.31Å; A198-K248 WeakPolarHBondContact O-CE 3.28Å
199	D	93.7	Very high	91.7	Very high	94 Å²	94	25.7 Å²	25.7	50%	0.503	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-23.2	170.6	-72.9	-40.1	0	0	0	111.9	S223 H246 K248	D199-S223 WeakPolarHBondContact O-CA 3.34Å; D199-H246 PolarHBondContact N-O 3.42Å; D199-K248 HydrophobicContact CB-CG 4.44Å; D199-K248 WeakPolarHBondContact OD1-CE 3.46Å; D199-K248 WeakPolarHBondContact OD1-CG 3.36Å; D199-K248 WeakPolarHBondContact OD2-CA 3.37Å; D199-K248 WeakPolarHBondContact OD2-CG 3.17Å
200	K	95.5	Very high	90.9	Very high	86 Å²	86	27.9 Å²	27.9	37%	0.374	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	140.3	175.6	-176.6	-178.8	178.8	-174.4	0	110	D202 S221 S222 H246	K200-D202 VanDerWaalsContact CE-OD1 3.26Å; K200-D202 WeakPolarHBondContact CE-OD1 3.35Å; K200-D202 WeakPolarHBondContact CE-OD2 3.34Å; K200-D202 IonicContact NZ-OD1 3.43Å; K200-D202 IonicContact NZ-OD2 3.72Å; K200-S221 WeakPolarHBondContact CE-OG 3.35Å; K200-S222 WeakPolarHBondContact CA-O 3.31Å; K200-H246 HydrophobicContact CB-CB 4.06Å; K200-H246 PolarHBondContact O-CD2 3.41Å; K200-H246 PolarHBondContact O-N 2.88Å
201	V	97.1	Very high	89.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.5	175.5	-179.2	0	0	0	0	108.5	F191 C194 F195 A198 V203 W220 S221 S222 I243 V244 L245	F191-V201 HydrophobicContact CE2-CG1 4.32Å; F191-V201 HydrophobicContact CZ-CG1 4.04Å; C194-V201 HydrophobicContact CB-CG2 3.78Å; F195-V201 HydrophobicContact CD1-CG2 4.01Å; F195-V201 HydrophobicContact CE1-CB 4.09Å; F195-V201 HydrophobicContact CE1-CG2 3.58Å; F195-V201 HydrophobicContact CZ-CB 4.27Å; F195-V201 HydrophobicContact CZ-CG2 4.05Å; A198-V201 HydrophobicContact CB-CG2 3.95Å; V201-V203 HydrophobicContact CG1-CG2 4.1Å; V201-W220 HydrophobicContact CB-CZ3 4.15Å; V201-W220 HydrophobicContact CG1-CZ3 4.07Å; V201-S221 WeakPolarHBondContact O-CA 3.5Å; V201-S222 PolarHBondContact N-O 3.47Å; V201-S222 PolarHBondContact O-N 2.8Å; V201-I243 HydrophobicContact CG1-CG2 4Å; V201-V244 WeakPolarHBondContact CA-O 3.48Å; V201-L245 HydrophobicContact CB-CD2 4.36Å; V201-L245 HydrophobicContact CG1-CD2 3.92Å; V201-L245 HydrophobicContact CG2-CD2 3.76Å
202	D	97.7	Very high	88.3	Confident	8 Å²	8	37 Å²	37	4%	0.043	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.8	171	-66.7	-65	0	0	0	109.5	K200 Y204 H219 W220 S221 I243 V244 H246	K200-D202 VanDerWaalsContact CE-OD1 3.26Å; K200-D202 WeakPolarHBondContact CE-OD1 3.35Å; K200-D202 WeakPolarHBondContact CE-OD2 3.34Å; K200-D202 IonicContact NZ-OD1 3.43Å; K200-D202 IonicContact NZ-OD2 3.72Å; D202-Y204 HydrophobicContact CB-CE2 3.91Å; D202-H219 IonicContact OD1-CE1 3.94Å; D202-H219 IonicContact OD1-NE2 3.74Å; D202-H219 PolarHBondContact OD1-NE2 2.93Å; D202-W220 CarbonylContact C-O 3.38Å; D202-W220 WeakPolarHBondContact CA-O 3.38Å; D202-S221 WeakPolarHBondContact OD1-CB 3.41Å; D202-S221 PolarHBondContact OD1-OG 3.42Å; D202-I243 CarbonylContact O-C 3.56Å; D202-I243 WeakPolarHBondContact O-CA 3.44Å; D202-V244 HydrophobicContact CB-CB 4.24Å; D202-V244 PolarHBondContact N-O 3.45Å; D202-V244 PolarHBondContact O-N 2.8Å; D202-H246 IonicContact OD2-CD2 3.68Å; D202-H246 PolarHBondContact OD2-CD2 2.95Å; D202-H246 IonicContact OD2-CE1 2.75Å; D202-H246 IonicContact OD2-NE2 3.75Å; D202-H246 PolarHBondContact OD2-NE2 3.17Å
203	V	97.9	Very high	86.7	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.2	177.8	-177.6	0	0	0	0	108.9	L152 L156 F191 V201 H219 W220 T241 K242 I243	L152-V203 HydrophobicContact CD2-CG1 4.26Å; L156-V203 HydrophobicContact CD1-CB 4.39Å; L156-V203 HydrophobicContact CD1-CG1 4.17Å; L156-V203 HydrophobicContact CD1-CG2 4.21Å; F191-V203 HydrophobicContact CE2-CG2 3.88Å; F191-V203 HydrophobicContact CZ-CG2 3.84Å; V201-V203 HydrophobicContact CG1-CG2 4.1Å; V203-H219 CarbonylContact O-C 3.55Å; V203-H219 WeakPolarHBondContact O-CA 3.25Å; V203-W220 HydrophobicContact CB-CB 4.2Å; V203-W220 HydrophobicContact CB-CE3 4.19Å; V203-W220 HydrophobicContact CG2-CE3 3.74Å; V203-W220 HydrophobicContact CG2-CZ3 4.22Å; V203-W220 PolarHBondContact N-O 2.93Å; V203-W220 PolarHBondContact O-N 3.1Å; V203-T241 HydrophobicContact CG1-CG2 3.6Å; V203-K242 CarbonylContact C-O 3.53Å; V203-K242 WeakPolarHBondContact CA-O 3.18Å; V203-I243 HydrophobicContact CG1-CG1 4.33Å; V203-I243 HydrophobicContact CG2-CG1 4.18Å; V203-I243 HydrophobicContact CG2-CG2 4.39Å
204	Y	97.4	Very high	85.1	Confident	73 Å²	73	50.5 Å²	50.5	29%	0.286	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124	172.3	-56.7	-95.1	0	0	0	107.9	D202 S218 H219 A234 V237 T241 K242 V244	D202-Y204 HydrophobicContact CB-CE2 3.91Å; Y204-S218 WeakPolarHBondContact CA-O 3.27Å; Y204-H219 HydrophobicContact CD1-CB 3.97Å; Y204-H219 HydrophobicContact CE1-CB 3.96Å; Y204-H219 AromaticContact CE1-CD2 3.69Å; Y204-H219 AromaticContact CE1-CG 3.66Å; Y204-H219 AromaticContact CZ-CD2 3.73Å; Y204-H219 AromaticContact CZ-NE2 3.9Å; Y204-A234 HydrophobicContact CD1-CB 4.46Å; Y204-V237 HydrophobicContact CD1-CG2 4.41Å; Y204-T241 CarbonylContact O-C 3.43Å; Y204-T241 WeakPolarHBondContact O-CA 3.5Å; Y204-K242 HydrophobicContact CD2-CD 4.44Å; Y204-K242 PolarHBondContact N-O 2.94Å; Y204-K242 PolarHBondContact O-N 3.21Å; Y204-V244 HydrophobicContact CD2-CG2 4.48Å; Y204-V244 HydrophobicContact CE2-CG2 4.18Å
205	S	95.3	Very high	83.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	145.6	-178.6	-160	0	0	0	0	112.1	M147 G217 S218 G240 T241	M147-S205 PolarHBondContact N-OG 2.77Å; S205-G217 WeakPolarHBondContact O-CA 3.35Å; S205-S218 PolarHBondContact N-O 3.08Å; S205-S218 PolarHBondContact O-N 3.09Å; S205-G240 WeakPolarHBondContact CA-O 3.09Å; S205-G240 PolarHBondContact OG-O 2.76Å; S205-G240 VanDerWaalsContact OG-O 3.04Å; S205-T241 PolarHBondContact OG-OG1 3.49Å; S205-T241 VanDerWaalsContact OG-OG1 3.07Å
206	R	91.6	Very high	83.3	Confident	88 Å²	88	56.5 Å²	56.5	33%	0.332	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	123.8	172.3	-172.6	176.8	81.4	-179.2	13.4	109.4	V237 G240	R206-V237 HydrophobicContact CB-CB 4.42Å; R206-V237 HydrophobicContact CB-CG1 3.92Å; R206-V237 WeakPolarHBondContact CD-O 3.45Å; R206-V237 VanDerWaalsContact CZ-O 3.25Å; R206-V237 PolarHBondContact NE-O 3.28Å; R206-V237 PolarHBondContact NH1-O 3.22Å; R206-G240 PolarHBondContact N-O 3.27Å; R206-G240 VanDerWaalsContact N-O 3.07Å; R206-G240 PolarHBondContact O-N 2.97Å; R206-G240 VanDerWaalsContact O-N 3.08Å
207	S	88.9	Confident	83.2	Confident	7 Å²	7	55.9 Å²	55.9	5%	0.049	28%	0.284	C	S	.	.			trans	-70.1	141.8	-179.9	-178.6	0	0	0	0	111.7	I145 R209 D210	I145-S207 WeakPolarHBondContact O-CA 3.22Å; S207-R209 VanDerWaalsContact C-N 3.27Å; S207-R209 PolarHBondContact OG-N 3.05Å; S207-R209 VanDerWaalsContact OG-N 3.09Å; S207-D210 WeakPolarHBondContact CB-OD2 3.31Å
208	H	84	Confident	83.1	Confident	13 Å²	13	56.2 Å²	56.2	6%	0.06	29%	0.286	C	S	.	.	S	Bend	trans	-77.3	-11.3	168.7	-94.3	-77.1	0	0	0	113.5	L107 V116 L120 E123 G144 I145 D210 P239	L107-H208 HydrophobicContact CD1-CB 3.94Å; V116-H208 HydrophobicContact CG1-CB 4.25Å; L120-H208 WeakPolarHBondContact CD1-ND1 3.48Å; E123-H208 IonicContact OE2-CE1 2.6Å; E123-H208 PolarHBondContact OE2-CE1 3.3Å; E123-H208 IonicContact OE2-NE2 3.67Å; G144-H208 PolarHBondContact O-CD2 3.42Å; G144-H208 VanDerWaalsContact O-CD2 3.28Å; I145-H208 HydrophobicContact CD1-CB 4.04Å; I145-H208 PolarHBondContact O-N 2.68Å; H208-D210 VanDerWaalsContact C-N 3.34Å; H208-P239 VanDerWaalsContact CE1-CB 3.46Å; H208-P239 WeakPolarHBondContact CE1-CB 3.35Å; H208-P239 WeakPolarHBondContact NE2-CB 3.17Å
209	R	75.1	Confident	83.1	Confident	93 Å²	93	57.9 Å²	57.9	35%	0.351	29%	0.294	S	S	.	.	S	Bend	trans	-81.5	-19.4	179.4	-60.3	-174.9	-174.1	149.6	4.4	112.8	V116 I145 E151 S207 T211	V116-R209 HydrophobicContact CG2-CG 4.43Å; I145-R209 HydrophobicContact CD1-CG 4.21Å; E151-R209 IonicContact OE1-NH1 3.28Å; E151-R209 PolarHBondContact OE1-NH1 2.73Å; S207-R209 VanDerWaalsContact C-N 3.27Å; S207-R209 PolarHBondContact OG-N 3.05Å; S207-R209 VanDerWaalsContact OG-N 3.09Å; R209-T211 PolarHBondContact O-N 2.71Å
210	D	68	Low	83.3	Confident	55 Å²	55	53.6 Å²	53.6	29%	0.294	27%	0.27	S	S	.	.			trans	-73.9	103	-174.5	-70.4	-12.1	0	0	0	108.9	S207 H208 N212 E215	S207-D210 WeakPolarHBondContact CB-OD2 3.31Å; H208-D210 VanDerWaalsContact C-N 3.34Å; D210-N212 PolarHBondContact O-N 2.81Å; D210-E215 HydrophobicContact CB-CB 4.48Å; D210-E215 HydrophobicContact CB-CG 4.32Å; D210-E215 WeakPolarHBondContact CB-OE2 3.4Å; D210-E215 VanDerWaalsContact OD2-CD 3.31Å
211	T	59.3	Low	83.3	Confident	134 Å²	134	50.1 Å²	50.1	82%	0.822	26%	0.257	S	S	*	.			trans	-80.6	-4.5	178.8	53.3	0	0	0	0	112.3	R209 P213	R209-T211 PolarHBondContact O-N 2.71Å; T211-P213 VanDerWaalsContact O-CD 3.3Å; T211-P213 WeakPolarHBondContact O-CD 3.34Å
212	N	64.3	Low	83.2	Confident	79 Å²	79	50.7 Å²	50.7	42%	0.422	26%	0.261	S	S	.	.			trans	-81.1	114.6	-178.4	-175.6	4.5	0	0	0	110.3	D210 Q214 E215	D210-N212 PolarHBondContact O-N 2.81Å; N212-Q214 PolarHBondContact O-N 3.44Å; N212-Q214 VanDerWaalsContact O-N 3.08Å; N212-Q214 PolarHBondContact OD1-N 3.27Å; N212-Q214 VanDerWaalsContact OD1-N 3.13Å; N212-E215 HydrophobicContact CB-CB 4.14Å; N212-E215 WeakPolarHBondContact O-CB 3.27Å; N212-E215 PolarHBondContact O-N 3.25Å
213	P	57.4	Low	82.9	Confident	131 Å²	131	52.9 Å²	52.9	85%	0.851	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.5	179.7	-18.9	32	0	0	0	114.2	T211	T211-P213 VanDerWaalsContact O-CD 3.3Å; T211-P213 WeakPolarHBondContact O-CD 3.34Å
214	Q	58.2	Low	82.3	Confident	167 Å²	167	53.7 Å²	53.7	78%	0.78	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.7	178	-64.5	-175.7	-16.1	0	0	113.3	N212 V216	N212-Q214 PolarHBondContact O-N 3.44Å; N212-Q214 VanDerWaalsContact O-N 3.08Å; N212-Q214 PolarHBondContact OD1-N 3.27Å; N212-Q214 VanDerWaalsContact OD1-N 3.13Å; Q214-V216 PolarHBondContact O-N 3.13Å; Q214-V216 VanDerWaalsContact O-N 3.13Å
215	E	64.9	Low	81.4	Confident	79 Å²	79	55.6 Å²	55.6	37%	0.369	30%	0.3	S	S	.	.			trans	-75.9	107.7	-176.3	-162.9	151.8	-163.8	0	0	110.2	D210 N212	D210-E215 HydrophobicContact CB-CB 4.48Å; D210-E215 HydrophobicContact CB-CG 4.32Å; D210-E215 WeakPolarHBondContact CB-OE2 3.4Å; D210-E215 VanDerWaalsContact OD2-CD 3.31Å; N212-E215 HydrophobicContact CB-CB 4.14Å; N212-E215 WeakPolarHBondContact O-CB 3.27Å; N212-E215 PolarHBondContact O-N 3.25Å
216	V	81.6	Confident	80.5	Confident	62 Å²	62	61 Å²	61	38%	0.376	33%	0.328	S	S	.	.			trans	-71.6	155.8	170.4	-71.4	0	0	0	0	109.3	Q214 D233 E235	Q214-V216 PolarHBondContact O-N 3.13Å; Q214-V216 VanDerWaalsContact O-N 3.13Å; V216-D233 HydrophobicContact CG2-CB 3.69Å; V216-E235 HydrophobicContact CG1-CG 4.28Å
217	G	88.7	Confident	79.9	Confident	3 Å²	3	58.3 Å²	58.3	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	-179.5	173.8	0	0	0	0	0	111.4	S205 A234	S205-G217 WeakPolarHBondContact O-CA 3.35Å; G217-A234 WeakPolarHBondContact CA-O 3.48Å; G217-A234 PolarHBondContact N-O 2.96Å; G217-A234 PolarHBondContact O-N 2.98Å
218	S	93	Very high	79.9	Confident	7 Å²	7	64.6 Å²	64.6	5%	0.049	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144.4	175.9	-65.5	0	0	0	0	110.7	Y204 S205 C232	Y204-S218 WeakPolarHBondContact CA-O 3.27Å; S205-S218 PolarHBondContact N-O 3.08Å; S205-S218 PolarHBondContact O-N 3.09Å; S218-C232 WeakPolarHBondContact CA-O 3.47Å
219	H	96.1	Very high	80.3	Confident	36 Å²	36	67.8 Å²	67.8	17%	0.167	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.1	171.8	172.6	-147.3	0	0	0	109.2	D202 V203 Y204 I231 C232 A234	D202-H219 IonicContact OD1-CE1 3.94Å; D202-H219 IonicContact OD1-NE2 3.74Å; D202-H219 PolarHBondContact OD1-NE2 2.93Å; V203-H219 CarbonylContact O-C 3.55Å; V203-H219 WeakPolarHBondContact O-CA 3.25Å; Y204-H219 HydrophobicContact CD1-CB 3.97Å; Y204-H219 HydrophobicContact CE1-CB 3.96Å; Y204-H219 AromaticContact CE1-CD2 3.69Å; Y204-H219 AromaticContact CE1-CG 3.66Å; Y204-H219 AromaticContact CZ-CD2 3.73Å; Y204-H219 AromaticContact CZ-NE2 3.9Å; H219-I231 VanDerWaalsContact O-CA 3.3Å; H219-I231 WeakPolarHBondContact O-CA 3.39Å; H219-C232 PolarHBondContact N-O 2.91Å; H219-C232 PolarHBondContact O-N 3.37Å; H219-A234 HydrophobicContact CB-CB 3.86Å
220	W	96.8	Very high	81.2	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.015	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	134.9	172	177.1	105.5	0	0	0	109	L156 F191 F195 V201 D202 V203 Y229 E230 I231	L156-W220 HydrophobicContact CD1-CD2 4.37Å; L156-W220 HydrophobicContact CD1-CG 4.43Å; F191-W220 AromaticContact CE1-CH2 3.68Å; F191-W220 HydrophobicContact CE1-CH2 3.68Å; F191-W220 HydrophobicContact CE1-CZ2 4.22Å; F191-W220 HydrophobicContact CE1-CZ3 4.04Å; F191-W220 HydrophobicContact CZ-CE3 4.33Å; F191-W220 AromaticContact CZ-CH2 3.86Å; F191-W220 HydrophobicContact CZ-CH2 3.86Å; F191-W220 AromaticContact CZ-CZ3 3.71Å; F191-W220 HydrophobicContact CZ-CZ3 3.71Å; F195-W220 HydrophobicContact CZ-CH2 4Å; V201-W220 HydrophobicContact CB-CZ3 4.15Å; V201-W220 HydrophobicContact CG1-CZ3 4.07Å; D202-W220 CarbonylContact C-O 3.38Å; D202-W220 WeakPolarHBondContact CA-O 3.38Å; V203-W220 HydrophobicContact CB-CB 4.2Å; V203-W220 HydrophobicContact CB-CE3 4.19Å; V203-W220 HydrophobicContact CG2-CE3 3.74Å; V203-W220 HydrophobicContact CG2-CZ3 4.22Å; V203-W220 PolarHBondContact N-O 2.93Å; V203-W220 PolarHBondContact O-N 3.1Å; W220-Y229 AromaticContact CD1-CD2 3.56Å; W220-Y229 AromaticContact CE2-CG 3.84Å; W220-Y229 HydrophobicContact CZ2-CD1 4.49Å; W220-Y229 HydrophobicContact CZ2-CG 4.1Å; W220-Y229 AromaticContact NE1-CD1 3.97Å; W220-Y229 AromaticContact NE1-CD2 3.12Å; W220-Y229 AromaticContact NE1-CE2 3.75Å; W220-Y229 AromaticContact NE1-CG 3.26Å; W220-Y229 VanDerWaalsContact NE1-CG 3.26Å; W220-E230 CarbonylContact C-O 3.55Å; W220-E230 VanDerWaalsContact CA-O 3.3Å; W220-E230 WeakPolarHBondContact CA-O 3.42Å; W220-I231 HydrophobicContact CB-CG1 4.36Å; W220-I231 HydrophobicContact CG-CG1 4.29Å
221	S	96.3	Very high	82.5	Confident	13 Å²	13	70 Å²	70	9%	0.091	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134	-178.8	-159.9	0	0	0	0	111.6	K200 V201 D202 Y229 E230	K200-S221 WeakPolarHBondContact CE-OG 3.35Å; V201-S221 WeakPolarHBondContact O-CA 3.5Å; D202-S221 WeakPolarHBondContact OD1-CB 3.41Å; D202-S221 PolarHBondContact OD1-OG 3.42Å; S221-Y229 CarbonylContact O-C 3.56Å; S221-Y229 VanDerWaalsContact O-CA 3.28Å; S221-Y229 WeakPolarHBondContact O-CA 3.28Å; S221-Y229 WeakPolarHBondContact O-CB 3.49Å; S221-E230 PolarHBondContact N-O 3.34Å; S221-E230 PolarHBondContact O-N 3.36Å
222	S	94.5	Very high	84	Confident	12 Å²	12	66.5 Å²	66.5	8%	0.084	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	148.9	174.2	-174.7	0	0	0	0	112	K200 V201 G224 E228	K200-S222 WeakPolarHBondContact CA-O 3.31Å; V201-S222 PolarHBondContact N-O 3.47Å; V201-S222 PolarHBondContact O-N 2.8Å; S222-G224 PolarHBondContact OG-N 2.92Å; S222-E228 PolarHBondContact OG-O 3.38Å
223	S	91.1	Very high	85.4	Confident	54 Å²	54	67.5 Å²	67.5	38%	0.378	37%	0.369	S	S	.	.			trans	-88.8	-7.4	167.5	59.4	0	0	0	0	113.1	D199 L225	D199-S223 WeakPolarHBondContact O-CA 3.34Å; S223-L225 PolarHBondContact O-N 3.22Å; S223-L225 VanDerWaalsContact O-N 3.16Å; S223-L225 PolarHBondContact OG-N 2.98Å
224	G	85	Confident	87	Confident	17 Å²	17	61.9 Å²	61.9	18%	0.175	33%	0.333	C	S	.	.	S	Bend	trans	70.9	-2.7	-171.2	0	0	0	0	0	113.9	F195 S222	F195-G224 VanDerWaalsContact CE1-CA 3.42Å; S222-G224 PolarHBondContact OG-N 2.92Å
225	L	78.6	Confident	88.5	Confident	114 Å²	114	61.3 Å²	61.3	60%	0.597	33%	0.33	S	S	*	.	S	Bend	trans	-88.7	152.2	175.6	-58.8	174	0	0	0	110	S223 G227	S223-L225 PolarHBondContact O-N 3.22Å; S223-L225 VanDerWaalsContact O-N 3.16Å; S223-L225 PolarHBondContact OG-N 2.98Å; L225-G227 PolarHBondContact O-N 2.93Å
226	N	76.9	Confident	89.5	Confident	112 Å²	112	65 Å²	65	60%	0.599	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	-6	176.3	-52.4	-25.1	0	0	0	116.7	Q75 E228	Q75-N226 PolarHBondContact NE2-O 3.5Å; N226-E228 HydrophobicContact CB-CG 4.49Å
227	G	79.6	Confident	89.9	Confident	33 Å²	33	62.6 Å²	62.6	34%	0.34	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	22.6	-178	0	0	0	0	0	113.8	L225	L225-G227 PolarHBondContact O-N 2.93Å
228	E	88.7	Confident	89.9	Confident	138 Å²	138	67.5 Å²	67.5	65%	0.645	36%	0.363	S	S	*	.			trans	-112.8	152.4	-176.2	-64.9	176.4	172	0	0	111.9	S222 N226	S222-E228 PolarHBondContact OG-O 3.38Å; N226-E228 HydrophobicContact CB-CG 4.49Å
229	Y	93	Very high	89.7	Confident	81 Å²	81	67.8 Å²	67.8	32%	0.318	37%	0.365	S	S	.	.			trans	-149.4	156.3	172.8	63.2	-95.2	0	0	0	109.9	E153 G157 W220 S221 I231	E153-Y229 WeakPolarHBondContact CG-OH 3.33Å; G157-Y229 VanDerWaalsContact CA-CE1 3.45Å; W220-Y229 AromaticContact CD1-CD2 3.56Å; W220-Y229 AromaticContact CE2-CG 3.84Å; W220-Y229 HydrophobicContact CZ2-CD1 4.49Å; W220-Y229 HydrophobicContact CZ2-CG 4.1Å; W220-Y229 AromaticContact NE1-CD1 3.97Å; W220-Y229 AromaticContact NE1-CD2 3.12Å; W220-Y229 AromaticContact NE1-CE2 3.75Å; W220-Y229 AromaticContact NE1-CG 3.26Å; W220-Y229 VanDerWaalsContact NE1-CG 3.26Å; S221-Y229 CarbonylContact O-C 3.56Å; S221-Y229 VanDerWaalsContact O-CA 3.28Å; S221-Y229 WeakPolarHBondContact O-CA 3.28Å; S221-Y229 WeakPolarHBondContact O-CB 3.49Å; Y229-I231 HydrophobicContact CD2-CD1 4.01Å; Y229-I231 HydrophobicContact CD2-CG1 3.68Å; Y229-I231 HydrophobicContact CE2-CD1 3.49Å; Y229-I231 VanDerWaalsContact CE2-CD1 3.49Å; Y229-I231 HydrophobicContact CE2-CG1 3.66Å
230	E	94.2	Very high	89.6	Confident	151 Å²	151	66.1 Å²	66.1	71%	0.706	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	141.3	176.7	-63.8	178.6	172.7	0	0	109.6	W220 S221	W220-E230 CarbonylContact C-O 3.55Å; W220-E230 VanDerWaalsContact CA-O 3.3Å; W220-E230 WeakPolarHBondContact CA-O 3.42Å; S221-E230 PolarHBondContact N-O 3.34Å; S221-E230 PolarHBondContact O-N 3.36Å
231	I	93.7	Very high	89.6	Confident	42 Å²	42	66.4 Å²	66.4	22%	0.215	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.3	172.1	-53.1	-175.8	0	0	0	109.9	K149 L152 E153 H219 W220 Y229	K149-I231 HydrophobicContact CD-CG2 4.49Å; K149-I231 HydrophobicContact CG-CG2 3.82Å; L152-I231 HydrophobicContact CB-CD1 4.25Å; E153-I231 HydrophobicContact CB-CD1 4.08Å; H219-I231 VanDerWaalsContact O-CA 3.3Å; H219-I231 WeakPolarHBondContact O-CA 3.39Å; W220-I231 HydrophobicContact CB-CG1 4.36Å; W220-I231 HydrophobicContact CG-CG1 4.29Å; Y229-I231 HydrophobicContact CD2-CD1 4.01Å; Y229-I231 HydrophobicContact CD2-CG1 3.68Å; Y229-I231 HydrophobicContact CE2-CD1 3.49Å; Y229-I231 VanDerWaalsContact CE2-CD1 3.49Å; Y229-I231 HydrophobicContact CE2-CG1 3.66Å
232	C	92.7	Very high	89.6	Confident	62 Å²	62	69.6 Å²	69.6	42%	0.419	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	168.9	173.3	63.5	0	0	0	0	111.8	S218 H219	S218-C232 WeakPolarHBondContact CA-O 3.47Å; H219-C232 PolarHBondContact N-O 2.91Å; H219-C232 PolarHBondContact O-N 3.37Å
233	D	92.5	Very high	89.8	Confident	100 Å²	100	69.8 Å²	69.8	54%	0.535	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	144.2	175.7	-63.3	0.5	0	0	0	109.3	K149 V216	K149-D233 IonicContact NZ-OD1 2.78Å; K149-D233 PolarHBondContact NZ-OD1 3.49Å; V216-D233 HydrophobicContact CG2-CB 3.69Å
234	A	90.9	Very high	90.1	Very high	13 Å²	13	67.9 Å²	67.9	11%	0.107	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	125.1	-172.7	0	0	0	0	0	112.4	Y204 G217 H219 V237	Y204-A234 HydrophobicContact CD1-CB 4.46Å; G217-A234 WeakPolarHBondContact CA-O 3.48Å; G217-A234 PolarHBondContact N-O 2.96Å; G217-A234 PolarHBondContact O-N 2.98Å; H219-A234 HydrophobicContact CB-CB 3.86Å; A234-V237 HydrophobicContact CB-CG2 3.68Å; A234-V237 WeakPolarHBondContact O-CG2 3.31Å
235	E	89.4	Confident	90.8	Very high	155 Å²	155	67.1 Å²	67.1	72%	0.724	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	158.4	175.2	-62.7	-178.6	179.1	0	0	111.7	V216 V237	V216-E235 HydrophobicContact CG1-CG 4.28Å; E235-V237 VanDerWaalsContact C-N 3.26Å; E235-V237 PolarHBondContact O-N 3.29Å
236	N	86.8	Confident	91.7	Very high	156 Å²	156	64.5 Å²	64.5	83%	0.834	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	28.7	175.4	-53.3	-55.8	0	0	0	115.2
237	V	90	Very high	92.6	Very high	12 Å²	12	59.6 Å²	59.6	7%	0.073	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-86.2	120.5	173.1	-176.5	0	0	0	0	109.6	Y204 R206 A234 E235	Y204-V237 HydrophobicContact CD1-CG2 4.41Å; R206-V237 HydrophobicContact CB-CB 4.42Å; R206-V237 HydrophobicContact CB-CG1 3.92Å; R206-V237 WeakPolarHBondContact CD-O 3.45Å; R206-V237 VanDerWaalsContact CZ-O 3.25Å; R206-V237 PolarHBondContact NE-O 3.28Å; R206-V237 PolarHBondContact NH1-O 3.22Å; A234-V237 HydrophobicContact CB-CG2 3.68Å; A234-V237 WeakPolarHBondContact O-CG2 3.31Å; E235-V237 VanDerWaalsContact C-N 3.26Å; E235-V237 PolarHBondContact O-N 3.29Å
238	N	88.4	Confident	93.4	Very high	105 Å²	105	60.5 Å²	60.5	56%	0.561	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-69.2	153.4	173.4	-67.9	-18	0	0	0	110.8
239	P	88.8	Confident	93.6	Very high	14 Å²	14	59.4 Å²	59.4	9%	0.091	30%	0.302	C	S	.	.	S	Bend	trans	-53.6	144.7	171.6	-20.3	31.9	0	0	0	112.2	H208	H208-P239 VanDerWaalsContact CE1-CB 3.46Å; H208-P239 WeakPolarHBondContact CE1-CB 3.35Å; H208-P239 WeakPolarHBondContact NE2-CB 3.17Å
240	G	93.3	Very high	93.7	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	100.1	-150.6	-175.4	0	0	0	0	0	112.1	D142 G144 S205 R206	D142-G240 WeakPolarHBondContact O-CA 3.25Å; G144-G240 VanDerWaalsContact O-CA 3.27Å; G144-G240 WeakPolarHBondContact O-CA 3.5Å; S205-G240 WeakPolarHBondContact CA-O 3.09Å; S205-G240 PolarHBondContact OG-O 2.76Å; S205-G240 VanDerWaalsContact OG-O 3.04Å; R206-G240 PolarHBondContact N-O 3.27Å; R206-G240 VanDerWaalsContact N-O 3.07Å; R206-G240 PolarHBondContact O-N 2.97Å; R206-G240 VanDerWaalsContact O-N 3.08Å
241	T	96.8	Very high	93.7	Very high	10 Å²	10	52.1 Å²	52.1	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.2	-175.4	-49	0	0	0	0	111.2	Q141 D142 M147 V203 Y204 S205 I243	Q141-T241 CarbonylContact C-O 3.59Å; Q141-T241 VanDerWaalsContact CA-O 3.25Å; Q141-T241 WeakPolarHBondContact CA-O 3.26Å; D142-T241 PolarHBondContact N-O 3.44Å; D142-T241 PolarHBondContact O-N 3.09Å; D142-T241 VanDerWaalsContact O-N 3.15Å; D142-T241 WeakPolarHBondContact OD2-CB 3.25Å; M147-T241 HydrophobicContact CE-CG2 4.18Å; V203-T241 HydrophobicContact CG1-CG2 3.6Å; Y204-T241 CarbonylContact O-C 3.43Å; Y204-T241 WeakPolarHBondContact O-CA 3.5Å; S205-T241 PolarHBondContact OG-OG1 3.49Å; S205-T241 VanDerWaalsContact OG-OG1 3.07Å; T241-I243 HydrophobicContact CG2-CG1 4.17Å
242	K	97.9	Very high	93.7	Very high	80 Å²	80	52.3 Å²	52.3	35%	0.348	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	120.3	173.4	176.6	-174.9	178.3	-176.1	0	109.4	V139 Q141 V203 Y204 V244	V139-K242 HydrophobicContact CG1-CD 4.41Å; V139-K242 HydrophobicContact CG1-CG 3.9Å; Q141-K242 HydrophobicContact CB-CB 4.2Å; Q141-K242 HydrophobicContact CB-CG 4.25Å; Q141-K242 HydrophobicContact CG-CB 3.96Å; Q141-K242 HydrophobicContact CG-CG 4.4Å; V203-K242 CarbonylContact C-O 3.53Å; V203-K242 WeakPolarHBondContact CA-O 3.18Å; Y204-K242 HydrophobicContact CD2-CD 4.44Å; Y204-K242 PolarHBondContact N-O 2.94Å; Y204-K242 PolarHBondContact O-N 3.21Å; K242-V244 HydrophobicContact CG-CG2 4.34Å
243	I	98	Very high	93.9	Very high	15 Å²	15	53.7 Å²	53.7	8%	0.077	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.1	177.8	-55.6	177.6	0	0	0	108.3	L96 V139 I140 F191 V201 D202 V203 T241 L245	L96-I243 HydrophobicContact CD2-CD1 3.73Å; V139-I243 CarbonylContact C-O 3.47Å; V139-I243 VanDerWaalsContact CA-O 3.3Å; V139-I243 WeakPolarHBondContact CA-O 3.39Å; I140-I243 PolarHBondContact N-O 3.12Å; I140-I243 PolarHBondContact O-N 3.05Å; F191-I243 HydrophobicContact CD2-CD1 4.46Å; F191-I243 HydrophobicContact CE2-CD1 4.26Å; V201-I243 HydrophobicContact CG1-CG2 4Å; D202-I243 CarbonylContact O-C 3.56Å; D202-I243 WeakPolarHBondContact O-CA 3.44Å; V203-I243 HydrophobicContact CG1-CG1 4.33Å; V203-I243 HydrophobicContact CG2-CG1 4.18Å; V203-I243 HydrophobicContact CG2-CG2 4.39Å; T241-I243 HydrophobicContact CG2-CG1 4.17Å; I243-L245 HydrophobicContact CG2-CD2 3.78Å; I243-L245 HydrophobicContact CG2-CG 4.36Å
244	V	98	Very high	94.1	Very high	15 Å²	15	49.2 Å²	49.2	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.9	177	-175.8	0	0	0	0	108.3	I137 V139 V201 D202 Y204 K242	I137-V244 HydrophobicContact CG2-CG1 3.6Å; V139-V244 HydrophobicContact CG1-CG2 4.32Å; V139-V244 HydrophobicContact CG2-CG1 4.36Å; V139-V244 HydrophobicContact CG2-CG2 4.3Å; V201-V244 WeakPolarHBondContact CA-O 3.48Å; D202-V244 HydrophobicContact CB-CB 4.24Å; D202-V244 PolarHBondContact N-O 3.45Å; D202-V244 PolarHBondContact O-N 2.8Å; Y204-V244 HydrophobicContact CD2-CG2 4.48Å; Y204-V244 HydrophobicContact CE2-CG2 4.18Å; K242-V244 HydrophobicContact CG-CG2 4.34Å
245	L	98	Very high	94.3	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.7	176.9	-54.9	-175.1	0	0	0	109.2	F92 L96 I137 L138 C194 V197 A198 V201 I243 L247	F92-L245 HydrophobicContact CD2-CD1 3.91Å; F92-L245 HydrophobicContact CE2-CD1 3.56Å; F92-L245 HydrophobicContact CZ-CD1 4.48Å; L96-L245 HydrophobicContact CD1-CD1 3.98Å; I137-L245 WeakPolarHBondContact CA-O 3.36Å; L138-L245 HydrophobicContact CB-CB 4.29Å; L138-L245 HydrophobicContact CD2-CD1 4.16Å; L138-L245 PolarHBondContact N-O 3.47Å; L138-L245 PolarHBondContact O-N 3.14Å; C194-L245 HydrophobicContact CB-CD2 3.74Å; V197-L245 HydrophobicContact CG2-CD1 4.43Å; A198-L245 HydrophobicContact CB-CB 4.08Å; A198-L245 HydrophobicContact CB-CD2 4.31Å; V201-L245 HydrophobicContact CB-CD2 4.36Å; V201-L245 HydrophobicContact CG1-CD2 3.92Å; V201-L245 HydrophobicContact CG2-CD2 3.76Å; I243-L245 HydrophobicContact CG2-CD2 3.78Å; I243-L245 HydrophobicContact CG2-CG 4.36Å; L245-L247 HydrophobicContact CB-CD2 4.14Å; L245-L247 PolarHBondContact O-N 2.87Å
246	H	97.7	Very high	94.6	Very high	58 Å²	58	45.6 Å²	45.6	27%	0.269	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	99.2	169.2	-58.4	-94.4	0	0	0	107.5	A198 D199 K200 D202	A198-H246 CarbonylContact C-O 3.58Å; A198-H246 WeakPolarHBondContact CA-O 3.33Å; A198-H246 WeakPolarHBondContact CB-O 3.13Å; D199-H246 PolarHBondContact N-O 3.42Å; K200-H246 HydrophobicContact CB-CB 4.06Å; K200-H246 PolarHBondContact O-CD2 3.41Å; K200-H246 PolarHBondContact O-N 2.88Å; D202-H246 IonicContact OD2-CD2 3.68Å; D202-H246 PolarHBondContact OD2-CD2 2.95Å; D202-H246 IonicContact OD2-CE1 2.75Å; D202-H246 IonicContact OD2-NE2 3.75Å; D202-H246 PolarHBondContact OD2-NE2 3.17Å
247	L	97.1	Very high	95.1	Very high	9 Å²	9	41.4 Å²	41.4	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	140.8	-168.2	-59.5	173.8	0	0	0	111.4	K136 L138 V197 L245 F254	K136-L247 HydrophobicContact CB-CB 4.4Å; K136-L247 VanDerWaalsContact O-CB 3.27Å; K136-L247 WeakPolarHBondContact O-CB 3.38Å; K136-L247 WeakPolarHBondContact O-CG 2.96Å; K136-L247 PolarHBondContact O-N 3.33Å; L138-L247 HydrophobicContact CB-CD1 4.29Å; L138-L247 HydrophobicContact CB-CD2 4.28Å; L138-L247 HydrophobicContact CB-CG 4.44Å; V197-L247 HydrophobicContact CB-CD2 4.39Å; V197-L247 HydrophobicContact CG2-CD2 4.23Å; V197-L247 WeakPolarHBondContact O-CA 3.39Å; L245-L247 HydrophobicContact CB-CD2 4.14Å; L245-L247 PolarHBondContact O-N 2.87Å; L247-F254 HydrophobicContact CD1-CB 4.06Å; L247-F254 HydrophobicContact CD2-CB 4.42Å
248	K	95.1	Very high	95.3	Very high	53 Å²	53	45.7 Å²	45.7	23%	0.23	24%	0.238	C	C	.	.			trans	-57.8	149.8	166.6	-75.7	164.8	178.7	176.3	0	110.1	F195 V197 A198 D199 S250 A251 S252	F195-K248 PolarHBondContact O-NZ 2.92Å; V197-K248 WeakPolarHBondContact O-CB 3.04Å; V197-K248 PolarHBondContact O-N 3.16Å; A198-K248 VanDerWaalsContact O-CE 3.31Å; A198-K248 WeakPolarHBondContact O-CE 3.28Å; D199-K248 HydrophobicContact CB-CG 4.44Å; D199-K248 WeakPolarHBondContact OD1-CE 3.46Å; D199-K248 WeakPolarHBondContact OD1-CG 3.36Å; D199-K248 WeakPolarHBondContact OD2-CA 3.37Å; D199-K248 WeakPolarHBondContact OD2-CG 3.17Å; K248-S250 PolarHBondContact O-N 2.88Å; K248-A251 HydrophobicContact CB-CB 4.14Å; K248-A251 CarbonylContact O-C 3.56Å; K248-A251 WeakPolarHBondContact O-CA 3.22Å; K248-A251 PolarHBondContact O-N 3.44Å; K248-S252 PolarHBondContact O-N 3.36Å; K248-S252 VanDerWaalsContact O-N 3.12Å
249	D	93.9	Very high	95.7	Very high	114 Å²	114	41.2 Å²	41.2	61%	0.61	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-54.2	-40.9	171	-74.6	-24.2	0	0	0	112	K136 A251 S252	K136-D249 IonicContact NZ-OD1 3.49Å; K136-D249 PolarHBondContact NZ-OD1 3.28Å; D249-A251 PolarHBondContact O-N 3.24Å; D249-A251 VanDerWaalsContact O-N 3.16Å; D249-S252 PolarHBondContact O-N 2.87Å; D249-S252 PolarHBondContact O-OG 2.93Å
250	S	93.6	Very high	96	Very high	80 Å²	80	40.5 Å²	40.5	56%	0.559	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-68.7	-5.7	177.3	68.8	0	0	0	0	115.2	K248	K248-S250 PolarHBondContact O-N 2.88Å
251	A	94.4	Very high	96	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-130.8	16.4	-177.4	0	0	0	0	0	111.9	V197 K248 D249 E253 F254	V197-A251 HydrophobicContact CB-CB 3.82Å; V197-A251 HydrophobicContact CG1-CB 4.11Å; V197-A251 WeakPolarHBondContact O-CB 3.37Å; K248-A251 HydrophobicContact CB-CB 4.14Å; K248-A251 CarbonylContact O-C 3.56Å; K248-A251 WeakPolarHBondContact O-CA 3.22Å; K248-A251 PolarHBondContact O-N 3.44Å; D249-A251 PolarHBondContact O-N 3.24Å; D249-A251 VanDerWaalsContact O-N 3.16Å; A251-E253 PolarHBondContact O-N 3.42Å; A251-E253 VanDerWaalsContact O-N 3.12Å; A251-F254 HydrophobicContact CB-CD2 3.89Å; A251-F254 HydrophobicContact CB-CE2 4.04Å; A251-F254 WeakPolarHBondContact O-CD2 3.46Å; A251-F254 PolarHBondContact O-N 3.2Å; A251-F254 VanDerWaalsContact O-N 3.16Å
252	S	94.2	Very high	95.7	Very high	45 Å²	45	48.8 Å²	48.8	32%	0.315	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-61.9	-18.4	-179.4	52.5	0	0	0	0	113.7	K248 D249 F254 S255	K248-S252 PolarHBondContact O-N 3.36Å; K248-S252 VanDerWaalsContact O-N 3.12Å; D249-S252 PolarHBondContact O-N 2.87Å; D249-S252 PolarHBondContact O-OG 2.93Å; S252-F254 PolarHBondContact O-N 3.39Å; S252-S255 PolarHBondContact O-N 3.37Å; S252-S255 VanDerWaalsContact O-N 3.09Å; S252-S255 PolarHBondContact O-OG 2.95Å
253	E	96.1	Very high	95.5	Very high	92 Å²	92	45 Å²	45	43%	0.43	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-58.9	-28.8	173.7	68.1	-177.3	136.3	0	0	113.3	A251 S255 K256	A251-E253 PolarHBondContact O-N 3.42Å; A251-E253 VanDerWaalsContact O-N 3.12Å; E253-S255 PolarHBondContact O-N 3.37Å; E253-K256 WeakPolarHBondContact O-CB 3.45Å; E253-K256 PolarHBondContact O-N 3.41Å; E253-K256 VanDerWaalsContact O-N 3.08Å
254	F	96.8	Very high	95.2	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.026	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-74.3	-7.3	179	-57.8	-63.7	0	0	0	113.7	K89 E90 F92 V197 L247 A251 S252 K256 V259 M260 I263	K89-F254 HydrophobicContact CB-CE2 4.21Å; K89-F254 HydrophobicContact CB-CZ 3.95Å; E90-F254 HydrophobicContact CB-CE1 4.05Å; E90-F254 HydrophobicContact CB-CZ 4.5Å; F92-F254 HydrophobicContact CE1-CB 4.39Å; F92-F254 AromaticContact CE1-CD1 3.85Å; F92-F254 HydrophobicContact CE1-CD1 3.85Å; F92-F254 AromaticContact CE1-CD2 3.82Å; F92-F254 HydrophobicContact CE1-CD2 3.82Å; F92-F254 HydrophobicContact CE1-CE1 4.03Å; F92-F254 HydrophobicContact CE1-CE2 4.03Å; F92-F254 AromaticContact CE1-CG 3.75Å; F92-F254 HydrophobicContact CE1-CG 3.75Å; F92-F254 HydrophobicContact CE1-CZ 4.13Å; F92-F254 HydrophobicContact CZ-CB 4.15Å; F92-F254 HydrophobicContact CZ-CD1 4.25Å; F92-F254 HydrophobicContact CZ-CD2 4.36Å; F92-F254 HydrophobicContact CZ-CG 4Å; V197-F254 HydrophobicContact CB-CD2 4.19Å; V197-F254 HydrophobicContact CB-CE2 4.33Å; V197-F254 HydrophobicContact CG1-CD2 3.86Å; V197-F254 HydrophobicContact CG1-CE2 3.52Å; V197-F254 HydrophobicContact CG1-CZ 4.39Å; L247-F254 HydrophobicContact CD1-CB 4.06Å; L247-F254 HydrophobicContact CD2-CB 4.42Å; A251-F254 HydrophobicContact CB-CD2 3.89Å; A251-F254 HydrophobicContact CB-CE2 4.04Å; A251-F254 WeakPolarHBondContact O-CD2 3.46Å; A251-F254 PolarHBondContact O-N 3.2Å; A251-F254 VanDerWaalsContact O-N 3.16Å; S252-F254 PolarHBondContact O-N 3.39Å; F254-K256 VanDerWaalsContact C-N 3.32Å; F254-V259 HydrophobicContact CD1-CG1 4.34Å; F254-M260 HydrophobicContact CB-CE 4.28Å; F254-M260 WeakPolarHBondContact O-CE 3.39Å; F254-I263 HydrophobicContact CD1-CD1 3.69Å; F254-I263 HydrophobicContact CE1-CD1 3.63Å
255	S	96.2	Very high	94.7	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.028	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-85.7	0.3	167.6	60.2	0	0	0	0	114.1	T131 E133 S252 E253	T131-S255 VanDerWaalsContact CB-O 3.24Å; T131-S255 WeakPolarHBondContact CB-O 3.46Å; E133-S255 WeakPolarHBondContact CG-O 3.17Å; S252-S255 PolarHBondContact O-N 3.37Å; S252-S255 VanDerWaalsContact O-N 3.09Å; S252-S255 PolarHBondContact O-OG 2.95Å; E253-S255 PolarHBondContact O-N 3.37Å
256	K	96.3	Very high	94	Very high	88 Å²	88	50.7 Å²	50.7	38%	0.383	25%	0.246	S	C	.	.	S	Bend	trans	-92.3	136.6	175.8	-53.8	-174.8	172.5	-179.8	0	111.4	E133 E253 F254 D258 V259 M260	E133-K256 HydrophobicContact CG-CG 4.16Å; E253-K256 WeakPolarHBondContact O-CB 3.45Å; E253-K256 PolarHBondContact O-N 3.41Å; E253-K256 VanDerWaalsContact O-N 3.08Å; F254-K256 VanDerWaalsContact C-N 3.32Å; K256-D258 WeakPolarHBondContact CB-OD1 3.36Å; K256-V259 HydrophobicContact CB-CB 4.37Å; K256-V259 HydrophobicContact CB-CG2 4.12Å; K256-V259 HydrophobicContact CD-CG2 4.43Å; K256-M260 PolarHBondContact O-N 2.88Å; K256-M260 VanDerWaalsContact O-N 3.17Å
257	E	96	Very high	93.3	Very high	67 Å²	67	48.7 Å²	48.7	31%	0.313	24%	0.236	S	C	.	.	H	α-helix	trans	-64.5	-42.2	-176.4	-175.4	176.2	154.2	0	0	112.6	V259 M260 E261 L277 N278 R280	E257-V259 PolarHBondContact O-N 2.72Å; E257-M260 PolarHBondContact O-N 3.26Å; E257-E261 WeakPolarHBondContact O-CB 3.4Å; E257-E261 PolarHBondContact O-N 3.39Å; E257-L277 HydrophobicContact CG-CD2 3.74Å; E257-L277 HydrophobicContact CG-CG 4.01Å; E257-N278 PolarHBondContact OE2-ND2 3.05Å; E257-R280 IonicContact OE1-CZ 3.74Å; E257-R280 IonicContact OE1-NE 3.76Å; E257-R280 IonicContact OE1-NH2 2.73Å; E257-R280 PolarHBondContact OE1-NH2 2.76Å
258	D	95.4	Very high	92.6	Very high	103 Å²	103	48.3 Å²	48.3	55%	0.551	23%	0.234	S	C	*	.	H	α-helix	trans	-64	-41.1	-178.1	61.7	-37.9	0	0	0	112.7	K256 R262	K256-D258 WeakPolarHBondContact CB-OD1 3.36Å; D258-R262 PolarHBondContact O-N 3.17Å; D258-R262 VanDerWaalsContact O-N 3.14Å
259	V	95.3	Very high	91.9	Very high	10 Å²	10	45.9 Å²	45.9	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-47.3	174.4	177.4	0	0	0	0	110.1	F254 K256 E257 R262 I263	F254-V259 HydrophobicContact CD1-CG1 4.34Å; K256-V259 HydrophobicContact CB-CB 4.37Å; K256-V259 HydrophobicContact CB-CG2 4.12Å; K256-V259 HydrophobicContact CD-CG2 4.43Å; E257-V259 PolarHBondContact O-N 2.72Å; V259-R262 PolarHBondContact O-N 2.97Å; V259-I263 HydrophobicContact CG1-CD1 3.84Å; V259-I263 VanDerWaalsContact O-CG1 3.31Å; V259-I263 WeakPolarHBondContact O-CG1 3.47Å; V259-I263 PolarHBondContact O-N 2.88Å; V259-I263 VanDerWaalsContact O-N 3.11Å
260	M	95.1	Very high	91.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-41.9	179.7	-169.8	54.4	54.1	0	0	112.1	V93 I129 T131 L138 F254 K256 E257 R262 I263 L264 L277	V93-M260 HydrophobicContact CG1-SD 3.95Å; V93-M260 HydrophobicContact CG2-CE 3.97Å; V93-M260 HydrophobicContact CG2-SD 3.95Å; I129-M260 HydrophobicContact CG2-CG 3.94Å; I129-M260 HydrophobicContact CG2-SD 4.35Å; T131-M260 HydrophobicContact CG2-CB 4.01Å; T131-M260 HydrophobicContact CG2-CG 4.15Å; L138-M260 HydrophobicContact CD1-CE 3.74Å; L138-M260 HydrophobicContact CD1-SD 4.49Å; L138-M260 HydrophobicContact CD2-CE 3.44Å; L138-M260 VanDerWaalsContact CD2-CE 3.44Å; L138-M260 HydrophobicContact CG-CE 4.27Å; F254-M260 HydrophobicContact CB-CE 4.28Å; F254-M260 WeakPolarHBondContact O-CE 3.39Å; K256-M260 PolarHBondContact O-N 2.88Å; K256-M260 VanDerWaalsContact O-N 3.17Å; E257-M260 PolarHBondContact O-N 3.26Å; M260-R262 VanDerWaalsContact C-N 3.33Å; M260-R262 PolarHBondContact O-N 3.47Å; M260-I263 PolarHBondContact O-N 2.99Å; M260-L264 HydrophobicContact CG-CD1 4Å; M260-L264 HydrophobicContact CG-CG 4.32Å; M260-L264 WeakPolarHBondContact O-CB 3.49Å; M260-L264 VanDerWaalsContact O-CG 3.29Å; M260-L264 WeakPolarHBondContact O-CG 3.32Å; M260-L264 PolarHBondContact O-N 3.11Å; M260-L264 HydrophobicContact SD-CD1 4.48Å; M260-L264 HydrophobicContact SD-CG 4.26Å; M260-L277 HydrophobicContact CB-CD1 4.11Å; M260-L277 HydrophobicContact CB-CD2 4.26Å; M260-L277 HydrophobicContact CG-CD1 3.68Å; M260-L277 HydrophobicContact CG-CD2 4.36Å
261	E	93.7	Very high	90.8	Very high	38 Å²	38	37.5 Å²	37.5	18%	0.178	17%	0.173	C	C	.	.	H	α-helix	trans	-58	-45.7	175.3	179.8	168.9	-172.7	0	0	111.2	E257 I263 L264 R265 L277 R280 I282	E257-E261 WeakPolarHBondContact O-CB 3.4Å; E257-E261 PolarHBondContact O-N 3.39Å; E261-I263 PolarHBondContact O-N 3.5Å; E261-L264 PolarHBondContact O-N 2.86Å; E261-R265 HydrophobicContact CG-CG 4.41Å; E261-R265 WeakPolarHBondContact O-CB 3.42Å; E261-R265 VanDerWaalsContact O-CG 3.27Å; E261-R265 WeakPolarHBondContact O-CG 3.29Å; E261-R265 PolarHBondContact O-N 3.1Å; E261-R265 IonicContact OE1-CZ 3.76Å; E261-R265 VanDerWaalsContact OE1-CZ 3.3Å; E261-R265 IonicContact OE1-NE 2.85Å; E261-R265 PolarHBondContact OE1-NE 3.34Å; E261-R265 IonicContact OE1-NH2 3.21Å; E261-R265 PolarHBondContact OE1-NH2 2.97Å; E261-L277 HydrophobicContact CB-CD2 3.77Å; E261-R280 IonicContact OE1-CZ 2.72Å; E261-R280 IonicContact OE1-NH1 2.76Å; E261-R280 PolarHBondContact OE1-NH1 3.28Å; E261-R280 VanDerWaalsContact OE1-NH1 3.16Å; E261-R280 IonicContact OE1-NH2 3.08Å; E261-R280 IonicContact OE2-CZ 3.07Å; E261-R280 IonicContact OE2-NH1 2.69Å; E261-R280 PolarHBondContact OE2-NH1 2.87Å; E261-R280 VanDerWaalsContact OE2-NH1 3.15Å; E261-R280 IonicContact OE2-NH2 3.81Å; E261-R280 PolarHBondContact OE2-NH2 2.81Å; E261-I282 HydrophobicContact CG-CD1 4.19Å
262	R	91.5	Very high	90	Very high	146 Å²	146	40.3 Å²	40.3	55%	0.551	19%	0.192	S	C	*	.	H	α-helix	trans	-60.5	-43.8	177.9	-176.1	177.3	64.9	-142.5	-0.6	112.1	D258 V259 M260 R265 K266	D258-R262 PolarHBondContact O-N 3.17Å; D258-R262 VanDerWaalsContact O-N 3.14Å; V259-R262 PolarHBondContact O-N 2.97Å; M260-R262 VanDerWaalsContact C-N 3.33Å; M260-R262 PolarHBondContact O-N 3.47Å; R262-R265 PolarHBondContact O-N 3.31Å; R262-K266 WeakPolarHBondContact O-CB 3.42Å; R262-K266 PolarHBondContact O-N 3.07Å
263	I	92.5	Very high	89.6	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-67.7	-45.6	-179.7	-63.6	165.3	0	0	0	110.9	E90 V93 F254 V259 M260 E261 R265 K266 Y267	E90-I263 HydrophobicContact CB-CD1 3.78Å; E90-I263 HydrophobicContact CB-CG1 4.02Å; E90-I263 HydrophobicContact CB-CG2 4.17Å; V93-I263 HydrophobicContact CB-CG2 3.74Å; V93-I263 HydrophobicContact CG1-CG2 3.94Å; V93-I263 HydrophobicContact CG2-CG2 3.92Å; F254-I263 HydrophobicContact CD1-CD1 3.69Å; F254-I263 HydrophobicContact CE1-CD1 3.63Å; V259-I263 HydrophobicContact CG1-CD1 3.84Å; V259-I263 VanDerWaalsContact O-CG1 3.31Å; V259-I263 WeakPolarHBondContact O-CG1 3.47Å; V259-I263 PolarHBondContact O-N 2.88Å; V259-I263 VanDerWaalsContact O-N 3.11Å; M260-I263 PolarHBondContact O-N 2.99Å; E261-I263 PolarHBondContact O-N 3.5Å; I263-R265 VanDerWaalsContact C-N 3.32Å; I263-R265 PolarHBondContact O-N 3.3Å; I263-K266 WeakPolarHBondContact O-CB 3.33Å; I263-K266 PolarHBondContact O-N 2.97Å; I263-K266 VanDerWaalsContact O-N 3.1Å; I263-Y267 HydrophobicContact CG2-CD2 3.81Å; I263-Y267 HydrophobicContact CG2-CE2 4.12Å; I263-Y267 WeakPolarHBondContact O-CD2 3.43Å; I263-Y267 PolarHBondContact O-N 3.35Å
264	L	91.7	Very high	89.4	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-42.3	177	-70.9	172.8	0	0	0	111.4	V93 I97 I129 M260 E261 K266 S268 N269 I275 L277 I282	V93-L264 HydrophobicContact CG1-CD2 3.84Å; I97-L264 HydrophobicContact CD1-CD2 4.04Å; I97-L264 HydrophobicContact CG1-CD2 3.96Å; I129-L264 HydrophobicContact CD1-CD1 4.07Å; I129-L264 HydrophobicContact CD1-CD2 4.26Å; I129-L264 HydrophobicContact CG1-CD1 4.49Å; M260-L264 HydrophobicContact CG-CD1 4Å; M260-L264 HydrophobicContact CG-CG 4.32Å; M260-L264 WeakPolarHBondContact O-CB 3.49Å; M260-L264 VanDerWaalsContact O-CG 3.29Å; M260-L264 WeakPolarHBondContact O-CG 3.32Å; M260-L264 PolarHBondContact O-N 3.11Å; M260-L264 HydrophobicContact SD-CD1 4.48Å; M260-L264 HydrophobicContact SD-CG 4.26Å; E261-L264 PolarHBondContact O-N 2.86Å; L264-K266 VanDerWaalsContact C-N 3.28Å; L264-K266 PolarHBondContact O-N 2.69Å; L264-S268 CarbonylContact O-C 3.53Å; L264-S268 WeakPolarHBondContact O-CA 3.41Å; L264-S268 PolarHBondContact O-N 3.36Å; L264-N269 PolarHBondContact O-N 3.06Å; L264-N269 VanDerWaalsContact O-N 3.17Å; L264-I275 HydrophobicContact CD1-CG2 4.27Å; L264-I275 HydrophobicContact CD2-CG2 4.35Å; L264-L277 HydrophobicContact CD1-CB 4.26Å; L264-L277 HydrophobicContact CD1-CD1 4.46Å; L264-L277 HydrophobicContact CD1-CD2 4.31Å; L264-I282 HydrophobicContact CB-CG2 4.24Å
265	R	87.7	Confident	89.3	Confident	83 Å²	83	35 Å²	35	31%	0.313	17%	0.165	S	C	.	.	H	α-helix	trans	-67.7	-25.6	175.4	-73.2	-175	-175.4	-62.7	-2.8	113.8	E261 R262 I263 N269 I282 Y307	E261-R265 HydrophobicContact CG-CG 4.41Å; E261-R265 WeakPolarHBondContact O-CB 3.42Å; E261-R265 VanDerWaalsContact O-CG 3.27Å; E261-R265 WeakPolarHBondContact O-CG 3.29Å; E261-R265 PolarHBondContact O-N 3.1Å; E261-R265 IonicContact OE1-CZ 3.76Å; E261-R265 VanDerWaalsContact OE1-CZ 3.3Å; E261-R265 IonicContact OE1-NE 2.85Å; E261-R265 PolarHBondContact OE1-NE 3.34Å; E261-R265 IonicContact OE1-NH2 3.21Å; E261-R265 PolarHBondContact OE1-NH2 2.97Å; R262-R265 PolarHBondContact O-N 3.31Å; I263-R265 VanDerWaalsContact C-N 3.32Å; I263-R265 PolarHBondContact O-N 3.3Å; R265-N269 WeakPolarHBondContact O-CB 3.49Å; R265-I282 HydrophobicContact CG-CG2 3.87Å; R265-I282 PolarHBondContact NH1-O 3.44Å; R265-Y307 PolarHBondContact O-OH 2.98Å
266	K	84.1	Confident	89.3	Confident	65 Å²	65	37.6 Å²	37.6	28%	0.283	18%	0.175	S	C	.	.	H	α-helix	trans	-76.5	-52.8	176.7	-178.4	176.8	174	-174.3	0	111.3	E90 R262 I263 L264 M362	E90-K266 IonicContact OE1-NZ 2.74Å; E90-K266 PolarHBondContact OE1-NZ 3.3Å; R262-K266 WeakPolarHBondContact O-CB 3.42Å; R262-K266 PolarHBondContact O-N 3.07Å; I263-K266 WeakPolarHBondContact O-CB 3.33Å; I263-K266 PolarHBondContact O-N 2.97Å; I263-K266 VanDerWaalsContact O-N 3.1Å; L264-K266 VanDerWaalsContact C-N 3.28Å; L264-K266 PolarHBondContact O-N 2.69Å; K266-M362 HydrophobicContact CG-SD 4.3Å; K266-M362 WeakPolarHBondContact O-CE 3.45Å; K266-M362 VanDerWaalsContact O-SD 3.37Å
267	Y	82.3	Confident	89.3	Confident	16 Å²	16	33.4 Å²	33.4	6%	0.063	16%	0.157	C	C	.	.	H	α-helix	trans	-100.6	-31.3	-169.5	-63.6	-71	0	0	0	115.1	E90 R94 I263	E90-Y267 HydrophobicContact CG-CE2 3.97Å; E90-Y267 VanDerWaalsContact OE1-CE2 3.26Å; E90-Y267 WeakPolarHBondContact OE1-CE2 3.24Å; E90-Y267 VanDerWaalsContact OE1-CZ 3.31Å; E90-Y267 PolarHBondContact OE1-OH 3.01Å; R94-Y267 HydrophobicContact CB-CD1 4.46Å; R94-Y267 HydrophobicContact CB-CG 4.12Å; R94-Y267 HydrophobicContact CG-CD1 4.42Å; R94-Y267 HydrophobicContact CG-CG 4.38Å; I263-Y267 HydrophobicContact CG2-CD2 3.81Å; I263-Y267 HydrophobicContact CG2-CE2 4.12Å; I263-Y267 WeakPolarHBondContact O-CD2 3.43Å; I263-Y267 PolarHBondContact O-N 3.35Å
268	S	81.9	Confident	89.3	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.014	16%	0.158	C	C	.	.	S	Bend	trans	-120.2	10.5	-163.4	-56.6	0	0	0	0	113.7	L264 F270 V271	L264-S268 CarbonylContact O-C 3.53Å; L264-S268 WeakPolarHBondContact O-CA 3.41Å; L264-S268 PolarHBondContact O-N 3.36Å; S268-F270 PolarHBondContact O-N 2.63Å; S268-F270 VanDerWaalsContact O-N 3.14Å; S268-V271 PolarHBondContact O-N 3.44Å
269	N	82.1	Confident	89.1	Confident	2 Å²	2	31.1 Å²	31.1	1%	0.011	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.5	-174.2	-160.1	47.3	0	0	0	113.7	L264 R265 N283 I285 Y307	L264-N269 PolarHBondContact O-N 3.06Å; L264-N269 VanDerWaalsContact O-N 3.17Å; R265-N269 WeakPolarHBondContact O-CB 3.49Å; N269-N283 WeakPolarHBondContact O-CB 3.49Å; N269-I285 WeakPolarHBondContact ND2-CD1 3.27Å; N269-Y307 VanDerWaalsContact ND2-CZ 3.28Å; N269-Y307 PolarHBondContact ND2-OH 3.49Å; N269-Y307 VanDerWaalsContact ND2-OH 3.1Å
270	F	82.1	Confident	89	Confident	5 Å²	5	35.7 Å²	35.7	2%	0.022	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	10.2	-177.3	-57.8	-74.7	0	0	0	113.6	S268 S272 I285 P287 W289 F304 Y307 Y357 K360	S268-F270 PolarHBondContact O-N 2.63Å; S268-F270 VanDerWaalsContact O-N 3.14Å; F270-S272 PolarHBondContact O-N 3.11Å; F270-I285 WeakPolarHBondContact CD1-O 3.34Å; F270-I285 HydrophobicContact CE1-CB 4.04Å; F270-I285 HydrophobicContact CE1-CG2 3.72Å; F270-I285 HydrophobicContact CZ-CG2 4.28Å; F270-P287 HydrophobicContact CB-CB 4.33Å; F270-P287 HydrophobicContact CD1-CB 3.92Å; F270-P287 HydrophobicContact CG-CB 4.42Å; F270-W289 HydrophobicContact CB-CH2 4.04Å; F270-W289 AromaticContact CD1-CH2 3.67Å; F270-W289 HydrophobicContact CD1-CH2 3.67Å; F270-W289 AromaticContact CD1-CZ3 3.92Å; F270-W289 HydrophobicContact CD1-CZ3 3.92Å; F270-W289 AromaticContact CD2-CH2 3.65Å; F270-W289 HydrophobicContact CD2-CH2 3.65Å; F270-W289 HydrophobicContact CD2-CZ3 4.33Å; F270-W289 AromaticContact CE1-CH2 3.97Å; F270-W289 HydrophobicContact CE1-CH2 3.97Å; F270-W289 AromaticContact CE1-CZ3 3.79Å; F270-W289 HydrophobicContact CE1-CZ3 3.79Å; F270-W289 AromaticContact CE2-CH2 3.96Å; F270-W289 HydrophobicContact CE2-CH2 3.96Å; F270-W289 HydrophobicContact CE2-CZ3 4.21Å; F270-W289 AromaticContact CG-CH2 3.48Å; F270-W289 HydrophobicContact CG-CH2 3.48Å; F270-W289 VanDerWaalsContact CG-CH2 3.48Å; F270-W289 HydrophobicContact CG-CZ2 4.38Å; F270-W289 HydrophobicContact CG-CZ3 4.17Å; F270-W289 HydrophobicContact CZ-CH2 4.1Å; F270-W289 AromaticContact CZ-CZ3 3.94Å; F270-W289 HydrophobicContact CZ-CZ3 3.94Å; F270-F304 HydrophobicContact CE1-CD2 4.43Å; F270-F304 AromaticContact CE1-CE2 3.7Å; F270-F304 HydrophobicContact CE1-CE2 3.7Å; F270-F304 HydrophobicContact CZ-CD2 4.46Å; F270-F304 AromaticContact CZ-CE2 3.61Å; F270-F304 HydrophobicContact CZ-CE2 3.61Å; F270-F304 HydrophobicContact CZ-CZ 4.42Å; F270-Y307 AromaticContact CE2-CE1 3.96Å; F270-Y307 HydrophobicContact CE2-CE1 3.96Å; F270-Y307 HydrophobicContact CZ-CD1 4.36Å; F270-Y307 AromaticContact CZ-CE1 3.65Å; F270-Y307 HydrophobicContact CZ-CE1 3.65Å; F270-Y357 AromaticContact CD2-CE1 3.66Å; F270-Y357 HydrophobicContact CD2-CE1 3.66Å; F270-Y357 AromaticContact CD2-CZ 3.89Å; F270-Y357 HydrophobicContact CE2-CE1 4.22Å; F270-Y357 AromaticContact CE2-CZ 3.96Å; F270-Y357 VanDerWaalsContact CE2-OH 3.24Å; F270-Y357 WeakPolarHBondContact CE2-OH 3.45Å; F270-K360 HydrophobicContact CB-CB 4.35Å
271	V	81.4	Confident	88.8	Confident	12 Å²	12	41.7 Å²	41.7	7%	0.073	20%	0.2	C	C	.	.			trans	-62.2	133.3	171	173.4	0	0	0	0	108.4	I97 S268 T273 I275 N283	I97-V271 HydrophobicContact CG2-CG2 4.18Å; S268-V271 PolarHBondContact O-N 3.44Å; V271-T273 PolarHBondContact O-N 3.23Å; V271-I275 HydrophobicContact CB-CD1 4.16Å; V271-I275 HydrophobicContact CG1-CD1 4.47Å; V271-N283 PolarHBondContact O-ND2 3.4Å
272	S	77.8	Confident	88.5	Confident	59 Å²	59	40 Å²	40	41%	0.413	19%	0.192	S	C	.	.	S	Bend	trans	-67.6	-16.5	-172.9	59.7	0	0	0	0	114	F270	F270-S272 PolarHBondContact O-N 3.11Å
273	T	86.3	Confident	87.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-95.8	135	-177.3	-61.3	0	0	0	0	110.9	I104 R108 I127 V271 I275 N283	I104-T273 HydrophobicContact CD1-CG2 3.46Å; I104-T273 VanDerWaalsContact CD1-CG2 3.46Å; I104-T273 HydrophobicContact CG2-CG2 4.17Å; R108-T273 PolarHBondContact NH2-OG1 3.34Å; I127-T273 HydrophobicContact CD1-CG2 4.06Å; I127-T273 HydrophobicContact CG1-CG2 3.85Å; V271-T273 PolarHBondContact O-N 3.23Å; T273-I275 PolarHBondContact O-N 3.25Å; T273-N283 PolarHBondContact O-ND2 3.09Å
274	P	91.6	Very high	86.9	Confident	30 Å²	30	38.2 Å²	38.2	20%	0.195	20%	0.197	C	C	.	.			trans	-54.8	130.4	174.8	-25.1	34.2	0	0	0	113	L125 E126 I127 Y276	L125-P274 WeakPolarHBondContact O-CD 3.33Å; E126-P274 HydrophobicContact CB-CB 4.42Å; I127-P274 PolarHBondContact N-O 2.91Å; P274-Y276 HydrophobicContact CB-CE2 3.77Å
275	I	94	Very high	86.2	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.1	178.9	-59.5	175.2	0	0	0	109	I97 I127 I129 L264 V271 T273 R281 I282 N283	I97-I275 HydrophobicContact CG2-CD1 3.88Å; I127-I275 HydrophobicContact CB-CG1 4.37Å; I127-I275 HydrophobicContact CD1-CG1 4.44Å; I127-I275 CarbonylContact O-C 3.37Å; I127-I275 WeakPolarHBondContact O-CA 3.45Å; I129-I275 HydrophobicContact CD1-CG2 3.24Å; L264-I275 HydrophobicContact CD1-CG2 4.27Å; L264-I275 HydrophobicContact CD2-CG2 4.35Å; V271-I275 HydrophobicContact CB-CD1 4.16Å; V271-I275 HydrophobicContact CG1-CD1 4.47Å; T273-I275 PolarHBondContact O-N 3.25Å; I275-R281 WeakPolarHBondContact O-CA 3.4Å; I275-I282 PolarHBondContact O-N 2.87Å; I275-N283 WeakPolarHBondContact CA-OD1 3.21Å; I275-N283 WeakPolarHBondContact CB-OD1 3.47Å; I275-N283 HydrophobicContact CD1-CB 4.44Å; I275-N283 PolarHBondContact N-OD1 3.29Å
276	Y	96.1	Very high	85.9	Confident	58 Å²	58	41.8 Å²	41.8	23%	0.227	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.6	176.7	-64.6	-93.8	0	0	0	110.2	E126 I127 H128 I129 P274 R280 R281	E126-Y276 HydrophobicContact CB-CD2 4.37Å; E126-Y276 HydrophobicContact CB-CE2 4.11Å; E126-Y276 WeakPolarHBondContact OE2-CE2 3.26Å; I127-Y276 PolarHBondContact O-N 3.24Å; H128-Y276 CarbonylContact C-O 3.58Å; H128-Y276 WeakPolarHBondContact CA-O 3.45Å; H128-Y276 AromaticContact CE1-CD2 3.88Å; H128-Y276 AromaticContact CE1-CG 3.93Å; I129-Y276 PolarHBondContact N-O 3.2Å; P274-Y276 HydrophobicContact CB-CE2 3.77Å; Y276-R280 CarbonylContact C-O 3.52Å; Y276-R280 WeakPolarHBondContact CA-O 3.01Å; Y276-R281 HydrophobicContact CD1-CB 4.06Å; Y276-R281 HydrophobicContact CE1-CB 3.88Å; Y276-R281 HydrophobicContact CE1-CG 4.46Å
277	L	96.4	Very high	85.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.4	171.1	176.6	62.9	0	0	0	108.4	I129 T131 E257 M260 E261 L264 G279 R280 I282	I129-L277 HydrophobicContact CB-CD1 3.98Å; I129-L277 HydrophobicContact CG2-CD1 3.77Å; I129-L277 WeakPolarHBondContact O-CA 3.43Å; T131-L277 HydrophobicContact CG2-CD1 3.99Å; E257-L277 HydrophobicContact CG-CD2 3.74Å; E257-L277 HydrophobicContact CG-CG 4.01Å; M260-L277 HydrophobicContact CB-CD1 4.11Å; M260-L277 HydrophobicContact CB-CD2 4.26Å; M260-L277 HydrophobicContact CG-CD1 3.68Å; M260-L277 HydrophobicContact CG-CD2 4.36Å; E261-L277 HydrophobicContact CB-CD2 3.77Å; L264-L277 HydrophobicContact CD1-CB 4.26Å; L264-L277 HydrophobicContact CD1-CD1 4.46Å; L264-L277 HydrophobicContact CD1-CD2 4.31Å; L277-G279 PolarHBondContact O-N 2.66Å; L277-G279 VanDerWaalsContact O-N 3.08Å; L277-R280 PolarHBondContact N-O 2.98Å; L277-R280 PolarHBondContact O-N 2.88Å; L277-I282 HydrophobicContact CB-CD1 4.06Å; L277-I282 HydrophobicContact CB-CG1 3.62Å; L277-I282 HydrophobicContact CD2-CD1 4.38Å; L277-I282 HydrophobicContact CD2-CG1 4.44Å
278	N	95.7	Very high	86.3	Confident	63 Å²	63	39.2 Å²	39.2	34%	0.337	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	35.8	-176.8	-62.8	-27.9	0	0	0	113.2	I129 K130 T131 E257	I129-N278 PolarHBondContact O-N 3.13Å; K130-N278 WeakPolarHBondContact CA-OD1 3.24Å; T131-N278 PolarHBondContact N-OD1 3.4Å; T131-N278 PolarHBondContact OG1-ND2 3.33Å; E257-N278 PolarHBondContact OE2-ND2 3.05Å
279	G	92.4	Very high	86.7	Confident	60 Å²	60	39.2 Å²	39.2	62%	0.619	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	-7.1	-178.7	0	0	0	0	0	115.6	L277	L277-G279 PolarHBondContact O-N 2.66Å; L277-G279 VanDerWaalsContact O-N 3.08Å
280	R	92.9	Very high	87	Confident	105 Å²	105	41.6 Å²	41.6	40%	0.396	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.4	177.5	178.6	172.6	55	122.5	-0.5	111.4	E257 E261 Y276 L277 I282	E257-R280 IonicContact OE1-CZ 3.74Å; E257-R280 IonicContact OE1-NE 3.76Å; E257-R280 IonicContact OE1-NH2 2.73Å; E257-R280 PolarHBondContact OE1-NH2 2.76Å; E261-R280 IonicContact OE1-CZ 2.72Å; E261-R280 IonicContact OE1-NH1 2.76Å; E261-R280 PolarHBondContact OE1-NH1 3.28Å; E261-R280 VanDerWaalsContact OE1-NH1 3.16Å; E261-R280 IonicContact OE1-NH2 3.08Å; E261-R280 IonicContact OE2-CZ 3.07Å; E261-R280 IonicContact OE2-NH1 2.69Å; E261-R280 PolarHBondContact OE2-NH1 2.87Å; E261-R280 VanDerWaalsContact OE2-NH1 3.15Å; E261-R280 IonicContact OE2-NH2 3.81Å; E261-R280 PolarHBondContact OE2-NH2 2.81Å; Y276-R280 CarbonylContact C-O 3.52Å; Y276-R280 WeakPolarHBondContact CA-O 3.01Å; L277-R280 PolarHBondContact N-O 2.98Å; L277-R280 PolarHBondContact O-N 2.88Å; R280-I282 HydrophobicContact CG-CD1 4.46Å
281	R	91	Very high	87.3	Confident	127 Å²	127	43.7 Å²	43.7	48%	0.479	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131.6	177.3	-171.9	174.5	175.2	-179.5	-0.8	111.6	I275 Y276 V284	I275-R281 WeakPolarHBondContact O-CA 3.4Å; Y276-R281 HydrophobicContact CD1-CB 4.06Å; Y276-R281 HydrophobicContact CE1-CB 3.88Å; Y276-R281 HydrophobicContact CE1-CG 4.46Å; R281-V284 HydrophobicContact CG-CG2 4.35Å
282	I	87.3	Confident	87.7	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.252	C	S	.	.			trans	-107.6	-48	-173.7	-60.2	-58	0	0	0	113.6	E261 L264 R265 I275 L277 R280 V284	E261-I282 HydrophobicContact CG-CD1 4.19Å; L264-I282 HydrophobicContact CB-CG2 4.24Å; R265-I282 HydrophobicContact CG-CG2 3.87Å; R265-I282 PolarHBondContact NH1-O 3.44Å; I275-I282 PolarHBondContact O-N 2.87Å; L277-I282 HydrophobicContact CB-CD1 4.06Å; L277-I282 HydrophobicContact CB-CG1 3.62Å; L277-I282 HydrophobicContact CD2-CD1 4.38Å; L277-I282 HydrophobicContact CD2-CG1 4.44Å; R280-I282 HydrophobicContact CG-CD1 4.46Å; I282-V284 PolarHBondContact O-N 3.26Å
283	N	77.8	Confident	88.2	Confident	10 Å²	10	47 Å²	47	5%	0.053	24%	0.244	C	C	.	.			trans	-84.2	89.1	-177.6	64.6	-33.7	0	0	0	111.1	N269 V271 T273 I275	N269-N283 WeakPolarHBondContact O-CB 3.49Å; V271-N283 PolarHBondContact O-ND2 3.4Å; T273-N283 PolarHBondContact O-ND2 3.09Å; I275-N283 WeakPolarHBondContact CA-OD1 3.21Å; I275-N283 WeakPolarHBondContact CB-OD1 3.47Å; I275-N283 HydrophobicContact CD1-CB 4.44Å; I275-N283 PolarHBondContact N-OD1 3.29Å
284	V	71.5	Confident	88.4	Confident	100 Å²	100	51.7 Å²	51.7	61%	0.606	28%	0.277	S	S	*	.			trans	-109.1	-13.5	-179.2	-168.8	0	0	0	0	111.8	R281 I282	R281-V284 HydrophobicContact CG-CG2 4.35Å; I282-V284 PolarHBondContact O-N 3.26Å
285	I	76.9	Confident	88.4	Confident	52 Å²	52	56.6 Å²	56.6	27%	0.267	30%	0.298	S	S	.	.			trans	-85.8	125.2	-176	-49.6	-172	0	0	0	109.8	N269 F270 F304 Y307	N269-I285 WeakPolarHBondContact ND2-CD1 3.27Å; F270-I285 WeakPolarHBondContact CD1-O 3.34Å; F270-I285 HydrophobicContact CE1-CB 4.04Å; F270-I285 HydrophobicContact CE1-CG2 3.72Å; F270-I285 HydrophobicContact CZ-CG2 4.28Å; I285-F304 HydrophobicContact CG2-CD2 3.97Å; I285-F304 HydrophobicContact CG2-CE2 4.49Å; I285-Y307 HydrophobicContact CD1-CD1 4.11Å; I285-Y307 HydrophobicContact CD1-CD2 3.45Å; I285-Y307 VanDerWaalsContact CD1-CD2 3.45Å; I285-Y307 HydrophobicContact CD1-CE1 4.41Å; I285-Y307 HydrophobicContact CD1-CE2 3.8Å; I285-Y307 HydrophobicContact CD1-CG 3.62Å
286	E	81.7	Confident	88.2	Confident	107 Å²	107	57.2 Å²	57.2	50%	0.5	30%	0.301	S	S	.	.			trans	-80.6	143.4	177.3	-62.7	-173.6	153	0	0	111.3	L288 K291	E286-L288 VanDerWaalsContact C-N 3.34Å; E286-L288 PolarHBondContact O-N 3.24Å; E286-K291 WeakPolarHBondContact OE2-CE 3.4Å; E286-K291 IonicContact OE2-NZ 3.5Å; E286-K291 PolarHBondContact OE2-NZ 3.48Å
287	P	85.1	Confident	88.1	Confident	22 Å²	22	56.6 Å²	56.6	14%	0.143	31%	0.305	C	S	.	.			trans	-74	84.4	179.8	28.3	-32.8	0	0	0	110.9	F270 W289 T290 K360	F270-P287 HydrophobicContact CB-CB 4.33Å; F270-P287 HydrophobicContact CD1-CB 3.92Å; F270-P287 HydrophobicContact CG-CB 4.42Å; P287-W289 HydrophobicContact CB-CD2 4.06Å; P287-W289 HydrophobicContact CB-CE3 4.06Å; P287-W289 HydrophobicContact CB-CH2 3.64Å; P287-W289 HydrophobicContact CB-CZ2 3.6Å; P287-W289 HydrophobicContact CB-CZ3 3.85Å; P287-W289 PolarHBondContact O-N 3.01Å; P287-T290 HydrophobicContact CB-CG2 4.12Å; P287-T290 HydrophobicContact CG-CG2 4.3Å; P287-T290 WeakPolarHBondContact O-CB 3.41Å; P287-T290 PolarHBondContact O-N 3.04Å; P287-T290 PolarHBondContact O-OG1 3.45Å; P287-K360 HydrophobicContact CG-CD 4.41Å
288	L	90.7	Very high	87.9	Confident	6 Å²	6	62.3 Å²	62.3	3%	0.031	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.4	-173.1	-61.2	-171.5	0	0	0	114.2	E286 T290 K291 Q293 V296 E300 F304 L333	E286-L288 VanDerWaalsContact C-N 3.34Å; E286-L288 PolarHBondContact O-N 3.24Å; L288-T290 PolarHBondContact O-N 3.16Å; L288-K291 HydrophobicContact CD2-CD 4.08Å; L288-K291 PolarHBondContact O-N 2.97Å; L288-Q293 PolarHBondContact O-NE2 2.92Å; L288-Q293 VanDerWaalsContact O-NE2 3.16Å; L288-V296 HydrophobicContact CD1-CG1 3.99Å; L288-V296 HydrophobicContact CD2-CG1 4.11Å; L288-V296 HydrophobicContact CG-CG1 4.48Å; L288-E300 HydrophobicContact CD1-CB 4.08Å; L288-E300 WeakPolarHBondContact CD1-O 3.45Å; L288-E300 HydrophobicContact CD2-CB 4.4Å; L288-F304 HydrophobicContact CD1-CB 3.42Å; L288-F304 VanDerWaalsContact CD1-CB 3.42Å; L288-F304 HydrophobicContact CD1-CD1 4.29Å; L288-F304 HydrophobicContact CD1-CD2 4.22Å; L288-F304 HydrophobicContact CD1-CG 3.74Å; L288-F304 HydrophobicContact CG-CB 4.29Å; L288-F304 HydrophobicContact CG-CD2 4.19Å; L288-F304 HydrophobicContact CG-CG 4.17Å; L288-L333 HydrophobicContact CB-CD2 3.8Å
289	W	90.8	Very high	87.7	Confident	1 Å²	1	65.4 Å²	65.4	0%	0.004	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.6	175.9	65.3	93.1	0	0	0	113.3	F270 P287 F304 K323 L333 Y357 V381 D383	F270-W289 HydrophobicContact CB-CH2 4.04Å; F270-W289 AromaticContact CD1-CH2 3.67Å; F270-W289 HydrophobicContact CD1-CH2 3.67Å; F270-W289 AromaticContact CD1-CZ3 3.92Å; F270-W289 HydrophobicContact CD1-CZ3 3.92Å; F270-W289 AromaticContact CD2-CH2 3.65Å; F270-W289 HydrophobicContact CD2-CH2 3.65Å; F270-W289 HydrophobicContact CD2-CZ3 4.33Å; F270-W289 AromaticContact CE1-CH2 3.97Å; F270-W289 HydrophobicContact CE1-CH2 3.97Å; F270-W289 AromaticContact CE1-CZ3 3.79Å; F270-W289 HydrophobicContact CE1-CZ3 3.79Å; F270-W289 AromaticContact CE2-CH2 3.96Å; F270-W289 HydrophobicContact CE2-CH2 3.96Å; F270-W289 HydrophobicContact CE2-CZ3 4.21Å; F270-W289 AromaticContact CG-CH2 3.48Å; F270-W289 HydrophobicContact CG-CH2 3.48Å; F270-W289 VanDerWaalsContact CG-CH2 3.48Å; F270-W289 HydrophobicContact CG-CZ2 4.38Å; F270-W289 HydrophobicContact CG-CZ3 4.17Å; F270-W289 HydrophobicContact CZ-CH2 4.1Å; F270-W289 AromaticContact CZ-CZ3 3.94Å; F270-W289 HydrophobicContact CZ-CZ3 3.94Å; P287-W289 HydrophobicContact CB-CD2 4.06Å; P287-W289 HydrophobicContact CB-CE3 4.06Å; P287-W289 HydrophobicContact CB-CH2 3.64Å; P287-W289 HydrophobicContact CB-CZ2 3.6Å; P287-W289 HydrophobicContact CB-CZ3 3.85Å; P287-W289 PolarHBondContact O-N 3.01Å; W289-F304 HydrophobicContact CE3-CE1 4.5Å; W289-F304 HydrophobicContact CE3-CE2 4.15Å; W289-F304 AromaticContact CE3-CZ 3.62Å; W289-F304 HydrophobicContact CE3-CZ 3.62Å; W289-F304 AromaticContact CZ3-CE2 3.74Å; W289-F304 HydrophobicContact CZ3-CE2 3.74Å; W289-F304 AromaticContact CZ3-CZ 3.51Å; W289-F304 HydrophobicContact CZ3-CZ 3.51Å; W289-K323 WeakPolarHBondContact O-CE 3.14Å; W289-L333 HydrophobicContact CB-CB 3.77Å; W289-L333 HydrophobicContact CB-CD2 4.27Å; W289-Y357 HydrophobicContact CH2-CD1 4.23Å; W289-Y357 HydrophobicContact CH2-CE1 4.15Å; W289-Y357 HydrophobicContact CZ2-CD1 4.05Å; W289-Y357 HydrophobicContact CZ2-CE1 4.42Å; W289-Y357 HydrophobicContact CZ2-CG 4.17Å; W289-V381 HydrophobicContact CD2-CB 4.39Å; W289-V381 HydrophobicContact CD2-CG1 3.77Å; W289-V381 HydrophobicContact CE3-CB 4.14Å; W289-V381 HydrophobicContact CE3-CG1 3.91Å; W289-V381 HydrophobicContact CE3-CG2 4.21Å; W289-V381 HydrophobicContact CG-CG1 4.22Å; W289-V381 HydrophobicContact CH2-CG1 4.31Å; W289-V381 HydrophobicContact CZ2-CG1 4.22Å; W289-V381 HydrophobicContact CZ3-CG1 4.19Å; W289-V381 HydrophobicContact CZ3-CG2 4.15Å; W289-D383 PolarHBondContact NE1-OD2 2.92Å
290	T	86.6	Confident	87.7	Confident	53 Å²	53	65.3 Å²	65.3	33%	0.325	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-27.5	176.6	67.3	0	0	0	0	112.6	P287 L288 K323 K360	P287-T290 HydrophobicContact CB-CG2 4.12Å; P287-T290 HydrophobicContact CG-CG2 4.3Å; P287-T290 WeakPolarHBondContact O-CB 3.41Å; P287-T290 PolarHBondContact O-N 3.04Å; P287-T290 PolarHBondContact O-OG1 3.45Å; L288-T290 PolarHBondContact O-N 3.16Å; T290-K323 VanDerWaalsContact C-NZ 3.28Å; T290-K323 PolarHBondContact O-NZ 3.37Å; T290-K360 HydrophobicContact CG2-CG 4.45Å
291	K	88.4	Confident	87.7	Confident	48 Å²	48	60.9 Å²	60.9	21%	0.209	32%	0.315	C	S	.	.	S	Bend	trans	-70.2	152.6	179.7	-71.7	-170.2	176.9	-175.2	0	113.5	E286 L288 Q293 V296 E300 K323	E286-K291 WeakPolarHBondContact OE2-CE 3.4Å; E286-K291 IonicContact OE2-NZ 3.5Å; E286-K291 PolarHBondContact OE2-NZ 3.48Å; L288-K291 HydrophobicContact CD2-CD 4.08Å; L288-K291 PolarHBondContact O-N 2.97Å; K291-Q293 PolarHBondContact O-N 3.4Å; K291-Q293 PolarHBondContact O-NE2 2.91Å; K291-V296 HydrophobicContact CB-CG2 3.73Å; K291-V296 HydrophobicContact CD-CG2 3.88Å; K291-V296 HydrophobicContact CG-CG2 4.49Å; K291-E300 IonicContact NZ-OE1 3.89Å; K291-E300 PolarHBondContact NZ-OE1 3.32Å; K291-K323 VanDerWaalsContact C-NZ 3.26Å; K291-K323 WeakPolarHBondContact O-CE 3.23Å; K291-K323 PolarHBondContact O-NZ 2.95Å
292	N	89.8	Confident	87.8	Confident	89 Å²	89	57.4 Å²	57.4	48%	0.476	31%	0.307	S	S	.	.			trans	-64.6	130.4	168.9	-168.3	-6.4	0	0	0	109.3	S294 E295	N292-S294 VanDerWaalsContact CG-OG 3.27Å; N292-S294 PolarHBondContact ND2-OG 3.45Å; N292-S294 PolarHBondContact O-N 3.16Å; N292-S294 PolarHBondContact OD1-OG 3.26Å; N292-E295 HydrophobicContact CB-CG 4.28Å; N292-E295 WeakPolarHBondContact O-CB 3.14Å; N292-E295 PolarHBondContact O-N 2.68Å
293	Q	89.3	Confident	87.9	Confident	51 Å²	51	60.8 Å²	60.8	24%	0.238	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-70.1	-17.7	-171.9	-58.5	-61.8	-70.7	0	0	112.7	L288 K291 E295 H301 A321	L288-Q293 PolarHBondContact O-NE2 2.92Å; L288-Q293 VanDerWaalsContact O-NE2 3.16Å; K291-Q293 PolarHBondContact O-N 3.4Å; K291-Q293 PolarHBondContact O-NE2 2.91Å; Q293-E295 PolarHBondContact O-N 2.91Å; Q293-H301 PolarHBondContact OE1-CE1 3.24Å; Q293-A321 VanDerWaalsContact CD-CB 3.41Å; Q293-A321 HydrophobicContact CG-CB 3.49Å; Q293-A321 VanDerWaalsContact CG-CB 3.49Å
294	S	90.2	Very high	88.5	Confident	99 Å²	99	60.5 Å²	60.5	69%	0.692	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-70.9	-15.2	170.7	57.5	0	0	0	0	113.9	N292	N292-S294 VanDerWaalsContact CG-OG 3.27Å; N292-S294 PolarHBondContact ND2-OG 3.45Å; N292-S294 PolarHBondContact O-N 3.16Å; N292-S294 PolarHBondContact OD1-OG 3.26Å
295	E	91	Very high	89.5	Confident	134 Å²	134	56 Å²	56	63%	0.626	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-104.3	-1.7	-177.7	-63.5	167.5	-168.7	0	0	112.4	N292 Q293	N292-E295 HydrophobicContact CB-CG 4.28Å; N292-E295 WeakPolarHBondContact O-CB 3.14Å; N292-E295 PolarHBondContact O-N 2.68Å; Q293-E295 PolarHBondContact O-N 2.91Å
296	V	91.6	Very high	90	Very high	15 Å²	15	56 Å²	56	9%	0.091	30%	0.3	C	S	.	.			trans	-101.1	126	-178.5	-174.6	0	0	0	0	109.1	L288 K291 E300 H301	L288-V296 HydrophobicContact CD1-CG1 3.99Å; L288-V296 HydrophobicContact CD2-CG1 4.11Å; L288-V296 HydrophobicContact CG-CG1 4.48Å; K291-V296 HydrophobicContact CB-CG2 3.73Å; K291-V296 HydrophobicContact CD-CG2 3.88Å; K291-V296 HydrophobicContact CG-CG2 4.49Å; V296-E300 VanDerWaalsContact CA-OE2 3.29Å; V296-E300 WeakPolarHBondContact CA-OE2 3.48Å; V296-E300 HydrophobicContact CG1-CB 3.8Å; V296-H301 WeakPolarHBondContact CG1-NE2 3.36Å
297	S	93.4	Very high	90.2	Very high	44 Å²	44	54.3 Å²	54.3	31%	0.308	29%	0.289	S	S	.	.			trans	-80.7	160.6	178.4	93.2	0	0	0	0	112.4	E299 E300 H301	S297-E299 VanDerWaalsContact CB-OE2 3.28Å; S297-E299 WeakPolarHBondContact CB-OE2 3.47Å; S297-E299 PolarHBondContact O-N 2.82Å; S297-E299 PolarHBondContact OG-N 3.12Å; S297-E299 PolarHBondContact OG-OE2 3.2Å; S297-E300 PolarHBondContact N-OE2 3.17Å; S297-E300 WeakPolarHBondContact O-CB 3.31Å; S297-E300 PolarHBondContact O-N 2.74Å; S297-E300 PolarHBondContact OG-N 3.48Å; S297-H301 PolarHBondContact O-CD2 3.16Å; S297-H301 PolarHBondContact O-N 3.23Å
298	D	92.1	Very high	90.2	Very high	120 Å²	120	55.3 Å²	55.3	64%	0.642	29%	0.293	S	S	*	.	H	α-helix	trans	-62.5	-32.8	174.6	-71.6	-24.5	0	0	0	111.5	H301 N302	D298-H301 PolarHBondContact O-N 2.84Å; D298-N302 WeakPolarHBondContact O-CB 3.48Å; D298-N302 PolarHBondContact O-N 2.91Å; D298-N302 PolarHBondContact O-ND2 3.4Å
299	E	91.4	Very high	89.8	Confident	129 Å²	129	56.9 Å²	56.9	60%	0.603	30%	0.304	S	S	*	.	H	α-helix	trans	-67	-38.1	174.6	-58.7	79.6	-170.6	0	0	112.6	S297 N302 S303	S297-E299 VanDerWaalsContact CB-OE2 3.28Å; S297-E299 WeakPolarHBondContact CB-OE2 3.47Å; S297-E299 PolarHBondContact O-N 2.82Å; S297-E299 PolarHBondContact OG-N 3.12Å; S297-E299 PolarHBondContact OG-OE2 3.2Å; E299-N302 PolarHBondContact O-N 2.87Å; E299-S303 WeakPolarHBondContact O-CB 3.2Å; E299-S303 PolarHBondContact O-N 3.41Å; E299-S303 PolarHBondContact O-OG 3.42Å
300	E	91.7	Very high	89.3	Confident	58 Å²	58	60.1 Å²	60.1	27%	0.271	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-45.5	172.5	-73.2	-179	110.9	0	0	110.4	L288 K291 V296 S297 S303 F304	L288-E300 HydrophobicContact CD1-CB 4.08Å; L288-E300 WeakPolarHBondContact CD1-O 3.45Å; L288-E300 HydrophobicContact CD2-CB 4.4Å; K291-E300 IonicContact NZ-OE1 3.89Å; K291-E300 PolarHBondContact NZ-OE1 3.32Å; V296-E300 VanDerWaalsContact CA-OE2 3.29Å; V296-E300 WeakPolarHBondContact CA-OE2 3.48Å; V296-E300 HydrophobicContact CG1-CB 3.8Å; S297-E300 PolarHBondContact N-OE2 3.17Å; S297-E300 WeakPolarHBondContact O-CB 3.31Å; S297-E300 PolarHBondContact O-N 2.74Å; S297-E300 PolarHBondContact OG-N 3.48Å; E300-S303 PolarHBondContact O-N 3.21Å; E300-F304 VanDerWaalsContact O-CB 3.27Å; E300-F304 WeakPolarHBondContact O-CB 3.28Å; E300-F304 PolarHBondContact O-N 3.25Å
301	H	94	Very high	88.9	Confident	11 Å²	11	59.6 Å²	59.6	5%	0.051	33%	0.333	C	S	.	.	H	α-helix	trans	-59.7	-45.8	174.9	-82	-59.6	0	0	0	112.5	Q293 V296 S297 D298 F304 Y305 Y335	Q293-H301 PolarHBondContact OE1-CE1 3.24Å; V296-H301 WeakPolarHBondContact CG1-NE2 3.36Å; S297-H301 PolarHBondContact O-CD2 3.16Å; S297-H301 PolarHBondContact O-N 3.23Å; D298-H301 PolarHBondContact O-N 2.84Å; H301-F304 PolarHBondContact O-N 3.29Å; H301-Y305 VanDerWaalsContact O-CB 3.24Å; H301-Y305 WeakPolarHBondContact O-CB 3.34Å; H301-Y305 PolarHBondContact O-N 3.49Å; H301-Y335 HydrophobicContact CB-CE1 4.12Å; H301-Y335 AromaticContact ND1-CE1 3.6Å; H301-Y335 AromaticContact ND1-CZ 3.64Å; H301-Y335 PolarHBondContact ND1-OH 3.42Å
302	N	92.5	Very high	88.6	Confident	55 Å²	55	65.2 Å²	65.2	29%	0.294	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-49.4	176.8	-71.2	-25	0	0	0	111.2	D298 E299 F304 Y305 Q306 P316	D298-N302 WeakPolarHBondContact O-CB 3.48Å; D298-N302 PolarHBondContact O-N 2.91Å; D298-N302 PolarHBondContact O-ND2 3.4Å; E299-N302 PolarHBondContact O-N 2.87Å; N302-F304 VanDerWaalsContact C-N 3.32Å; N302-F304 PolarHBondContact O-N 3.37Å; N302-Y305 PolarHBondContact O-N 3.25Å; N302-Q306 WeakPolarHBondContact O-CB 3.36Å; N302-Q306 WeakPolarHBondContact O-CG 3.29Å; N302-Q306 PolarHBondContact O-N 2.84Å; N302-P316 WeakPolarHBondContact OD1-CD 3.42Å
303	S	89.3	Confident	88.4	Confident	73 Å²	73	70.1 Å²	70.1	51%	0.51	37%	0.371	S	S	.	.	H	α-helix	trans	-61.9	-42.2	-179.1	-58.6	0	0	0	0	111.6	E299 E300 Y307	E299-S303 WeakPolarHBondContact O-CB 3.2Å; E299-S303 PolarHBondContact O-N 3.41Å; E299-S303 PolarHBondContact O-OG 3.42Å; E300-S303 PolarHBondContact O-N 3.21Å; S303-Y307 WeakPolarHBondContact O-CB 2.9Å; S303-Y307 PolarHBondContact O-N 2.98Å
304	F	90.8	Very high	88.5	Confident	4 Å²	4	68 Å²	68	2%	0.018	36%	0.361	C	S	.	.	H	α-helix	trans	-69.6	-41.5	178	-176.6	-98.3	0	0	0	112.4	F270 I285 L288 W289 E300 H301 N302 Y307 L308 L333 Y335 V381	F270-F304 HydrophobicContact CE1-CD2 4.43Å; F270-F304 AromaticContact CE1-CE2 3.7Å; F270-F304 HydrophobicContact CE1-CE2 3.7Å; F270-F304 HydrophobicContact CZ-CD2 4.46Å; F270-F304 AromaticContact CZ-CE2 3.61Å; F270-F304 HydrophobicContact CZ-CE2 3.61Å; F270-F304 HydrophobicContact CZ-CZ 4.42Å; I285-F304 HydrophobicContact CG2-CD2 3.97Å; I285-F304 HydrophobicContact CG2-CE2 4.49Å; L288-F304 HydrophobicContact CD1-CB 3.42Å; L288-F304 VanDerWaalsContact CD1-CB 3.42Å; L288-F304 HydrophobicContact CD1-CD1 4.29Å; L288-F304 HydrophobicContact CD1-CD2 4.22Å; L288-F304 HydrophobicContact CD1-CG 3.74Å; L288-F304 HydrophobicContact CG-CB 4.29Å; L288-F304 HydrophobicContact CG-CD2 4.19Å; L288-F304 HydrophobicContact CG-CG 4.17Å; W289-F304 HydrophobicContact CE3-CE1 4.5Å; W289-F304 HydrophobicContact CE3-CE2 4.15Å; W289-F304 AromaticContact CE3-CZ 3.62Å; W289-F304 HydrophobicContact CE3-CZ 3.62Å; W289-F304 AromaticContact CZ3-CE2 3.74Å; W289-F304 HydrophobicContact CZ3-CE2 3.74Å; W289-F304 AromaticContact CZ3-CZ 3.51Å; W289-F304 HydrophobicContact CZ3-CZ 3.51Å; E300-F304 VanDerWaalsContact O-CB 3.27Å; E300-F304 WeakPolarHBondContact O-CB 3.28Å; E300-F304 PolarHBondContact O-N 3.25Å; H301-F304 PolarHBondContact O-N 3.29Å; N302-F304 VanDerWaalsContact C-N 3.32Å; N302-F304 PolarHBondContact O-N 3.37Å; F304-Y307 WeakPolarHBondContact O-CB 3.41Å; F304-Y307 PolarHBondContact O-N 3.15Å; F304-L308 HydrophobicContact CD1-CD1 3.82Å; F304-L308 HydrophobicContact CD1-CG 4.26Å; F304-L308 HydrophobicContact CE1-CD1 3.37Å; F304-L308 HydrophobicContact CE1-CD2 4.43Å; F304-L308 HydrophobicContact CE1-CG 3.95Å; F304-L308 HydrophobicContact CZ-CD1 3.99Å; F304-L308 HydrophobicContact CZ-CD2 4.22Å; F304-L308 HydrophobicContact CZ-CG 4.18Å; F304-L308 WeakPolarHBondContact O-CG 3.45Å; F304-L308 PolarHBondContact O-N 2.97Å; F304-L333 HydrophobicContact CD1-CD2 4.12Å; F304-L333 HydrophobicContact CE1-CD2 3.81Å; F304-Y335 AromaticContact CD1-CE2 3.75Å; F304-Y335 HydrophobicContact CD1-CE2 3.75Å; F304-Y335 WeakPolarHBondContact CD1-OH 3.5Å; F304-Y335 HydrophobicContact CE1-CE2 4.09Å; F304-V381 HydrophobicContact CE1-CG2 4.33Å; F304-V381 HydrophobicContact CZ-CG2 3.92Å
305	Y	91.5	Very high	88.6	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.016	34%	0.342	C	S	.	.	H	α-helix	trans	-58	-47.8	173	168.6	-100.3	0	0	0	111.8	H301 N302 Y307 L308 C309 D314 P316 Y335 P337 R379	H301-Y305 VanDerWaalsContact O-CB 3.24Å; H301-Y305 WeakPolarHBondContact O-CB 3.34Å; H301-Y305 PolarHBondContact O-N 3.49Å; N302-Y305 PolarHBondContact O-N 3.25Å; Y305-Y307 VanDerWaalsContact C-N 3.31Å; Y305-Y307 PolarHBondContact O-N 3.4Å; Y305-L308 PolarHBondContact O-N 3.29Å; Y305-C309 WeakPolarHBondContact CE2-SG 3.43Å; Y305-C309 VanDerWaalsContact CZ-SG 3.51Å; Y305-C309 WeakPolarHBondContact O-CB 3.46Å; Y305-C309 PolarHBondContact O-N 2.86Å; Y305-C309 PolarHBondContact O-SG 2.89Å; Y305-C309 VanDerWaalsContact O-SG 3.36Å; Y305-D314 HydrophobicContact CE1-CB 4.03Å; Y305-D314 PolarHBondContact OH-OD2 2.51Å; Y305-P316 HydrophobicContact CD2-CB 4.26Å; Y305-P316 HydrophobicContact CG-CB 4.24Å; Y305-P316 HydrophobicContact CG-CG 4.2Å; Y305-Y335 AromaticContact CD2-CD2 3.94Å; Y305-Y335 HydrophobicContact CD2-CD2 3.94Å; Y305-Y335 AromaticContact CD2-CG 3.77Å; Y305-Y335 HydrophobicContact CD2-CG 3.77Å; Y305-Y335 HydrophobicContact CG-CG 4.47Å; Y305-P337 HydrophobicContact CE2-CG 4.47Å; Y305-P337 WeakPolarHBondContact OH-CA 3.34Å; Y305-P337 WeakPolarHBondContact OH-CB 3.16Å; Y305-P337 WeakPolarHBondContact OH-CG 2.93Å; Y305-R379 HydrophobicContact CE2-CB 4.28Å
306	Q	89.2	Confident	88.7	Confident	54 Å²	54	59.8 Å²	59.8	25%	0.252	32%	0.318	S	S	.	.	H	α-helix	trans	-63.2	-38.6	178.7	-70.6	175.5	-1	0	0	111.9	N302 G310 N311 K312 D314	N302-Q306 WeakPolarHBondContact O-CB 3.36Å; N302-Q306 WeakPolarHBondContact O-CG 3.29Å; N302-Q306 PolarHBondContact O-N 2.84Å; Q306-G310 WeakPolarHBondContact O-CA 3.45Å; Q306-G310 PolarHBondContact O-N 3.28Å; Q306-N311 WeakPolarHBondContact CA-O 3.25Å; Q306-N311 WeakPolarHBondContact CB-O 3.47Å; Q306-N311 WeakPolarHBondContact CG-O 3.16Å; Q306-N311 PolarHBondContact O-N 2.91Å; Q306-K312 PolarHBondContact NE2-O 3.17Å; Q306-K312 VanDerWaalsContact NE2-O 3.17Å; Q306-D314 WeakPolarHBondContact CG-O 3.45Å; Q306-D314 PolarHBondContact NE2-O 3.29Å; Q306-D314 VanDerWaalsContact NE2-O 3.08Å
307	Y	85.1	Confident	88.9	Confident	71 Å²	71	60.4 Å²	60.4	28%	0.278	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-48.5	171.9	165.1	-98.6	0	0	0	111.6	R265 N269 F270 I285 S303 F304 Y305 G310	R265-Y307 PolarHBondContact O-OH 2.98Å; N269-Y307 VanDerWaalsContact ND2-CZ 3.28Å; N269-Y307 PolarHBondContact ND2-OH 3.49Å; N269-Y307 VanDerWaalsContact ND2-OH 3.1Å; F270-Y307 AromaticContact CE2-CE1 3.96Å; F270-Y307 HydrophobicContact CE2-CE1 3.96Å; F270-Y307 HydrophobicContact CZ-CD1 4.36Å; F270-Y307 AromaticContact CZ-CE1 3.65Å; F270-Y307 HydrophobicContact CZ-CE1 3.65Å; I285-Y307 HydrophobicContact CD1-CD1 4.11Å; I285-Y307 HydrophobicContact CD1-CD2 3.45Å; I285-Y307 VanDerWaalsContact CD1-CD2 3.45Å; I285-Y307 HydrophobicContact CD1-CE1 4.41Å; I285-Y307 HydrophobicContact CD1-CE2 3.8Å; I285-Y307 HydrophobicContact CD1-CG 3.62Å; S303-Y307 WeakPolarHBondContact O-CB 2.9Å; S303-Y307 PolarHBondContact O-N 2.98Å; F304-Y307 WeakPolarHBondContact O-CB 3.41Å; F304-Y307 PolarHBondContact O-N 3.15Å; Y305-Y307 VanDerWaalsContact C-N 3.31Å; Y305-Y307 PolarHBondContact O-N 3.4Å; Y307-G310 PolarHBondContact O-N 3.36Å
308	L	85	Confident	89	Confident	43 Å²	43	58.7 Å²	58.7	23%	0.225	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-42.1	179.6	-71.5	177.5	0	0	0	112.9	F304 Y305 Y335 V381	F304-L308 HydrophobicContact CD1-CD1 3.82Å; F304-L308 HydrophobicContact CD1-CG 4.26Å; F304-L308 HydrophobicContact CE1-CD1 3.37Å; F304-L308 HydrophobicContact CE1-CD2 4.43Å; F304-L308 HydrophobicContact CE1-CG 3.95Å; F304-L308 HydrophobicContact CZ-CD1 3.99Å; F304-L308 HydrophobicContact CZ-CD2 4.22Å; F304-L308 HydrophobicContact CZ-CG 4.18Å; F304-L308 WeakPolarHBondContact O-CG 3.45Å; F304-L308 PolarHBondContact O-N 2.97Å; Y305-L308 PolarHBondContact O-N 3.29Å; L308-Y335 HydrophobicContact CD1-CD2 4.37Å; L308-Y335 HydrophobicContact CD1-CE2 4.17Å; L308-V381 HydrophobicContact CD1-CG2 4.25Å; L308-V381 HydrophobicContact CD2-CG2 3.89Å
309	C	82	Confident	89.2	Confident	39 Å²	39	55.1 Å²	55.1	26%	0.264	29%	0.288	S	S	.	.	H	α-helix	trans	-82	-16.9	-176.1	-62.7	0	0	0	0	113.1	Y305 N311	Y305-C309 WeakPolarHBondContact CE2-SG 3.43Å; Y305-C309 VanDerWaalsContact CZ-SG 3.51Å; Y305-C309 WeakPolarHBondContact O-CB 3.46Å; Y305-C309 PolarHBondContact O-N 2.86Å; Y305-C309 PolarHBondContact O-SG 2.89Å; Y305-C309 VanDerWaalsContact O-SG 3.36Å; C309-N311 HydrophobicContact CB-CB 4.38Å; C309-N311 PolarHBondContact O-N 3.28Å
310	G	80	Confident	89.5	Confident	68 Å²	68	49.6 Å²	49.6	70%	0.701	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	12.3	-170.1	0	0	0	0	0	113.6	Q306 Y307	Q306-G310 WeakPolarHBondContact O-CA 3.45Å; Q306-G310 PolarHBondContact O-N 3.28Å; Y307-G310 PolarHBondContact O-N 3.36Å
311	N	79.3	Confident	89.7	Confident	42 Å²	42	48.7 Å²	48.7	23%	0.225	26%	0.264	C	S	.	.			trans	-115.8	113.4	-179.9	-176.9	-1.6	0	0	0	109.6	Q306 C309 Y313 W339	Q306-N311 WeakPolarHBondContact CA-O 3.25Å; Q306-N311 WeakPolarHBondContact CB-O 3.47Å; Q306-N311 WeakPolarHBondContact CG-O 3.16Å; Q306-N311 PolarHBondContact O-N 2.91Å; C309-N311 HydrophobicContact CB-CB 4.38Å; C309-N311 PolarHBondContact O-N 3.28Å; N311-Y313 VanDerWaalsContact C-N 3.34Å; N311-Y313 PolarHBondContact OD1-N 2.66Å; N311-W339 WeakPolarHBondContact ND2-CZ3 3.44Å
312	K	80.7	Confident	89.7	Confident	166 Å²	166	49.7 Å²	49.7	72%	0.722	27%	0.268	S	S	*	.	S	Bend	trans	-81.2	-9.4	-177.8	-64.1	-173.8	178.6	-176.5	0	114.5	Q306	Q306-K312 PolarHBondContact NE2-O 3.17Å; Q306-K312 VanDerWaalsContact NE2-O 3.17Å
313	Y	86.8	Confident	89.8	Confident	193 Å²	193	50.7 Å²	50.7	76%	0.757	27%	0.269	S	S	*	.	S	Bend	trans	-102.7	-13.2	-171.8	-57.9	-73	0	0	0	113.7	N311	N311-Y313 VanDerWaalsContact C-N 3.34Å; N311-Y313 PolarHBondContact OD1-N 2.66Å
314	D	90.5	Very high	89.9	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.037	25%	0.251	C	S	.	.			trans	-98.3	161.6	179.1	-169	25.8	0	0	0	110.7	Y305 Q306 N338 W339	Y305-D314 HydrophobicContact CE1-CB 4.03Å; Y305-D314 PolarHBondContact OH-OD2 2.51Å; Q306-D314 WeakPolarHBondContact CG-O 3.45Å; Q306-D314 PolarHBondContact NE2-O 3.29Å; Q306-D314 VanDerWaalsContact NE2-O 3.08Å; D314-N338 WeakPolarHBondContact OD1-CB 3.28Å; D314-N338 PolarHBondContact OD1-N 3.42Å; D314-W339 HydrophobicContact CB-CD2 4.21Å; D314-W339 HydrophobicContact CB-CG 4.42Å; D314-W339 VanDerWaalsContact OD1-CD1 3.28Å; D314-W339 PolarHBondContact OD1-N 3.23Å
315	S	92.5	Very high	89.8	Confident	42 Å²	42	53 Å²	53	29%	0.294	28%	0.277	S	S	.	.			trans	-135.5	156.2	176.5	58.5	0	0	0	0	109.9	N338	S315-N338 WeakPolarHBondContact O-CB 3.37Å; S315-N338 PolarHBondContact O-N 2.9Å
316	P	94.4	Very high	89.5	Confident	17 Å²	17	56.4 Å²	56.4	11%	0.11	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.4	170.8	30.5	-34.5	0	0	0	110.7	N302 Y305 Y335 V336	N302-P316 WeakPolarHBondContact OD1-CD 3.42Å; Y305-P316 HydrophobicContact CD2-CB 4.26Å; Y305-P316 HydrophobicContact CG-CB 4.24Å; Y305-P316 HydrophobicContact CG-CG 4.2Å; P316-Y335 HydrophobicContact CB-CD1 3.48Å; P316-Y335 VanDerWaalsContact CB-CD1 3.48Å; P316-Y335 HydrophobicContact CB-CE1 4.32Å; P316-Y335 HydrophobicContact CB-CG 4.04Å; P316-Y335 HydrophobicContact CG-CD1 3.89Å; P316-Y335 HydrophobicContact CG-CE1 4.26Å; P316-V336 CarbonylContact C-O 3.53Å; P316-V336 WeakPolarHBondContact CA-O 3.5Å
317	R	94.6	Very high	89.4	Confident	29 Å²	29	59.4 Å²	59.4	11%	0.109	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-28.1	167.7	64.8	170	55.3	174.6	6.7	112.8	V336 P337 N338 K427 S430 D434	R317-V336 HydrophobicContact CG-CB 3.95Å; R317-V336 HydrophobicContact CG-CG1 3.76Å; R317-V336 WeakPolarHBondContact CG-O 3.43Å; R317-V336 PolarHBondContact N-O 3.03Å; R317-P337 PolarHBondContact NE-O 3.41Å; R317-N338 HydrophobicContact CB-CB 4.28Å; R317-N338 PolarHBondContact NH2-O 3.22Å; R317-K427 WeakPolarHBondContact O-CE 3.32Å; R317-K427 PolarHBondContact O-NZ 3.2Å; R317-K427 VanDerWaalsContact O-NZ 3.09Å; R317-S430 PolarHBondContact NH1-O 2.93Å; R317-D434 IonicContact CZ-OD2 3.55Å; R317-D434 VanDerWaalsContact CZ-OD2 3.27Å; R317-D434 IonicContact NH1-OD2 3.22Å; R317-D434 PolarHBondContact NH1-OD2 2.97Å; R317-D434 IonicContact NH2-OD2 2.81Å; R317-D434 PolarHBondContact NH2-OD2 3.03Å
318	Y	96.4	Very high	89.5	Confident	7 Å²	7	56.7 Å²	56.7	3%	0.027	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.4	173.1	-67.9	-57.7	0	0	0	110.8	Y335 V336 F416 Q420 K427 F428 F431	Y318-Y335 WeakPolarHBondContact O-CA 3.23Å; Y318-V336 HydrophobicContact CD2-CB 4.23Å; Y318-V336 HydrophobicContact CD2-CG2 4.16Å; Y318-V336 PolarHBondContact O-N 3.02Å; Y318-F416 HydrophobicContact CD1-CE1 4.44Å; Y318-F416 HydrophobicContact CD1-CZ 4.16Å; Y318-F416 HydrophobicContact CG-CE1 4.21Å; Y318-F416 HydrophobicContact CG-CZ 4.28Å; Y318-Q420 HydrophobicContact CD1-CG 4.12Å; Y318-Q420 HydrophobicContact CE1-CB 4.12Å; Y318-Q420 HydrophobicContact CE1-CG 3.82Å; Y318-K427 HydrophobicContact CE1-CD 3.92Å; Y318-K427 HydrophobicContact CE1-CG 4.36Å; Y318-K427 PolarHBondContact OH-O 2.85Å; Y318-F428 WeakPolarHBondContact OH-CA 3.29Å; Y318-F428 PolarHBondContact OH-N 2.86Å; Y318-F431 HydrophobicContact CD2-CD2 4.26Å; Y318-F431 HydrophobicContact CE2-CB 3.78Å; Y318-F431 HydrophobicContact CE2-CD2 4Å; Y318-F431 AromaticContact CE2-CG 3.84Å; Y318-F431 HydrophobicContact CE2-CG 3.84Å
319	T	96.3	Very high	89.7	Confident	46 Å²	46	56 Å²	56	28%	0.282	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.3	172	-60.9	0	0	0	0	108.4	L333 Y335	T319-L333 HydrophobicContact CG2-CD1 3.88Å; T319-Y335 HydrophobicContact CG2-CD1 4.15Å; T319-Y335 HydrophobicContact CG2-CE1 3.67Å; T319-Y335 WeakPolarHBondContact OG1-CE1 3.26Å
320	F	96.2	Very high	90.2	Very high	13 Å²	13	54.1 Å²	54.1	6%	0.057	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	111.1	176.8	171.7	-103.2	0	0	0	109.5	Y322 V332 L333 L334 R412 F413 F416	F320-Y322 HydrophobicContact CZ-CG 4.33Å; F320-V332 HydrophobicContact CD1-CG1 4.34Å; F320-V332 HydrophobicContact CE1-CG1 4.09Å; F320-L333 CarbonylContact O-C 3.34Å; F320-L333 WeakPolarHBondContact O-CA 3.24Å; F320-L334 HydrophobicContact CB-CB 4.39Å; F320-L334 HydrophobicContact CD1-CB 4.12Å; F320-L334 HydrophobicContact CD1-CD1 3.97Å; F320-L334 HydrophobicContact CD1-CG 4.21Å; F320-L334 HydrophobicContact CE1-CD1 4.33Å; F320-L334 PolarHBondContact N-O 3.07Å; F320-L334 PolarHBondContact O-N 2.72Å; F320-R412 HydrophobicContact CE2-CB 4.44Å; F320-R412 HydrophobicContact CZ-CB 3.84Å; F320-F413 HydrophobicContact CB-CD2 4.05Å; F320-F413 HydrophobicContact CB-CE2 4.1Å; F320-F413 AromaticContact CD1-CD2 3.95Å; F320-F413 HydrophobicContact CD1-CD2 3.95Å; F320-F413 HydrophobicContact CD2-CD2 4.11Å; F320-F413 HydrophobicContact CE1-CB 4.48Å; F320-F413 HydrophobicContact CE1-CD2 4.43Å; F320-F413 AromaticContact CG-CD2 3.76Å; F320-F413 HydrophobicContact CG-CD2 3.76Å; F320-F413 HydrophobicContact CG-CE2 4.32Å; F320-F413 HydrophobicContact CZ-CB 4.41Å; F320-F416 HydrophobicContact CB-CD1 4.4Å; F320-F416 HydrophobicContact CB-CE1 4.43Å; F320-F416 HydrophobicContact CD2-CB 3.59Å; F320-F416 HydrophobicContact CD2-CD1 4.12Å; F320-F416 AromaticContact CD2-CD2 3.93Å; F320-F416 HydrophobicContact CD2-CD2 3.93Å; F320-F416 AromaticContact CD2-CG 3.62Å; F320-F416 HydrophobicContact CD2-CG 3.62Å; F320-F416 HydrophobicContact CE2-CB 3.78Å; F320-F416 HydrophobicContact CE2-CG 4.31Å
321	A	95.8	Very high	90.9	Very high	39 Å²	39	53.6 Å²	53.6	32%	0.322	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131	175.4	0	0	0	0	0	110.4	Q293 V332 L333	Q293-A321 VanDerWaalsContact CD-CB 3.41Å; Q293-A321 HydrophobicContact CG-CB 3.49Å; Q293-A321 VanDerWaalsContact CG-CB 3.49Å; A321-V332 CarbonylContact C-O 3.53Å; A321-V332 WeakPolarHBondContact CA-O 3.36Å; A321-L333 HydrophobicContact CB-CD1 4.06Å
322	Y	94.8	Very high	91.7	Very high	31 Å²	31	51.7 Å²	51.7	12%	0.122	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.6	-179.7	176	-110.8	0	0	0	110.6	F320 T324 L330 V332 L408 R412	F320-Y322 HydrophobicContact CZ-CG 4.33Å; Y322-T324 HydrophobicContact CD1-CG2 4.39Å; Y322-T324 HydrophobicContact CE1-CG2 3.47Å; Y322-T324 VanDerWaalsContact CE1-CG2 3.47Å; Y322-L330 HydrophobicContact CD1-CD2 4.43Å; Y322-L330 HydrophobicContact CE1-CD2 4.36Å; Y322-V332 HydrophobicContact CD1-CG2 4.26Å; Y322-V332 PolarHBondContact N-O 3.22Å; Y322-V332 PolarHBondContact O-N 2.97Å; Y322-L408 HydrophobicContact CE1-CD2 4.18Å; Y322-L408 HydrophobicContact CE1-CG 4.2Å; Y322-R412 HydrophobicContact CD1-CG 4.47Å; Y322-R412 HydrophobicContact CD2-CG 4.22Å; Y322-R412 HydrophobicContact CE1-CG 4.1Å; Y322-R412 HydrophobicContact CE2-CG 3.83Å; Y322-R412 PolarHBondContact OH-NE 3.1Å
323	K	93.5	Very high	92.4	Very high	76 Å²	76	43.8 Å²	43.8	33%	0.33	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.9	177.9	-59.4	-171	178.2	-174.9	0	109.7	W289 T290 K291 L330 R331	W289-K323 WeakPolarHBondContact O-CE 3.14Å; T290-K323 VanDerWaalsContact C-NZ 3.28Å; T290-K323 PolarHBondContact O-NZ 3.37Å; K291-K323 VanDerWaalsContact C-NZ 3.26Å; K291-K323 WeakPolarHBondContact O-CE 3.23Å; K291-K323 PolarHBondContact O-NZ 2.95Å; K323-L330 WeakPolarHBondContact CA-O 3.4Å; K323-R331 VanDerWaalsContact CG-CD 3.49Å
324	T	92.7	Very high	92.9	Very high	21 Å²	21	34.7 Å²	34.7	13%	0.129	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	145.1	174.5	-179.4	0	0	0	0	109.9	Y322 A326 I328 N329 L330 R331 L408	Y322-T324 HydrophobicContact CD1-CG2 4.39Å; Y322-T324 HydrophobicContact CE1-CG2 3.47Å; Y322-T324 VanDerWaalsContact CE1-CG2 3.47Å; T324-A326 PolarHBondContact OG1-N 3.48Å; T324-A326 PolarHBondContact OG1-O 2.81Å; T324-I328 WeakPolarHBondContact CG2-O 3.48Å; T324-N329 WeakPolarHBondContact O-CA 3.23Å; T324-L330 HydrophobicContact CG2-CB 3.74Å; T324-L330 PolarHBondContact N-O 3.2Å; T324-L330 PolarHBondContact O-N 3.47Å; T324-L330 VanDerWaalsContact O-O 3.13Å; T324-R331 PolarHBondContact O-NH1 3.35Å; T324-L408 HydrophobicContact CG2-CD2 4.3Å
325	D	88.8	Confident	93.1	Very high	106 Å²	106	34.4 Å²	34.4	57%	0.567	20%	0.199	S	C	*	.			trans	-106.3	-12.8	174.7	-59.6	-38.7	0	0	0	111.9	N329 R331	D325-N329 PolarHBondContact OD1-ND2 2.9Å; D325-R331 IonicContact OD1-CZ 3.85Å; D325-R331 IonicContact OD1-NH1 2.86Å; D325-R331 PolarHBondContact OD1-NH1 3.11Å; D325-R331 IonicContact OD1-NH2 3.14Å; D325-R331 PolarHBondContact OD1-NH2 3.43Å; D325-R331 IonicContact OD2-NH2 3.15Å
326	A	85.7	Confident	93.3	Very high	75 Å²	75	32.4 Å²	32.4	62%	0.62	19%	0.186	S	C	*	.	S	Bend	trans	-147	135.5	-179.3	0	0	0	0	0	110.6	T324	T324-A326 PolarHBondContact OG1-N 3.48Å; T324-A326 PolarHBondContact OG1-O 2.81Å
327	P	85.5	Confident	93.2	Very high	116 Å²	116	32.3 Å²	32.3	75%	0.753	19%	0.185	S	C	*	.	S	Bend	cis	-80.4	-9.6	8.8	32.8	-36.8	0	0	0	114.7
328	I	87.5	Confident	93.1	Very high	14 Å²	14	34.2 Å²	34.2	7%	0.072	20%	0.197	C	C	.	.	S	Bend	trans	-134.2	134	-178.9	-58.3	173.1	0	0	0	106.9	T324 L330 D386 R404 I405	T324-I328 WeakPolarHBondContact CG2-O 3.48Å; I328-L330 PolarHBondContact O-N 3.15Å; I328-D386 WeakPolarHBondContact CA-OD2 3.5Å; I328-D386 HydrophobicContact CG2-CB 4.11Å; I328-D386 WeakPolarHBondContact CG2-OD2 3.46Å; I328-R404 HydrophobicContact CD1-CB 3.93Å; I328-I405 HydrophobicContact CD1-CG1 3.94Å; I328-I405 HydrophobicContact CG2-CD1 4.22Å; I328-I405 HydrophobicContact CG2-CG1 4.16Å
329	N	89.6	Confident	92.7	Very high	29 Å²	29	40.5 Å²	40.5	16%	0.155	22%	0.221	C	C	.	.			trans	-67.1	112.5	169.8	-175.2	-65.6	0	0	0	109.3	T324 D325 S384 D386	T324-N329 WeakPolarHBondContact O-CA 3.23Å; D325-N329 PolarHBondContact OD1-ND2 2.9Å; N329-S384 WeakPolarHBondContact O-CA 3.09Å; N329-S384 WeakPolarHBondContact O-CB 3.45Å; N329-S384 PolarHBondContact O-OG 3.31Å; N329-D386 PolarHBondContact N-OD2 3.43Å
330	L	92.7	Very high	92.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	133.8	-174.3	-161.7	69.9	0	0	0	110.5	Y322 K323 T324 I328 V332 V382 I405 L408 I409	Y322-L330 HydrophobicContact CD1-CD2 4.43Å; Y322-L330 HydrophobicContact CE1-CD2 4.36Å; K323-L330 WeakPolarHBondContact CA-O 3.4Å; T324-L330 HydrophobicContact CG2-CB 3.74Å; T324-L330 PolarHBondContact N-O 3.2Å; T324-L330 PolarHBondContact O-N 3.47Å; T324-L330 VanDerWaalsContact O-O 3.13Å; I328-L330 PolarHBondContact O-N 3.15Å; L330-V332 HydrophobicContact CD1-CG2 4.34Å; L330-V332 HydrophobicContact CD2-CG2 3.57Å; L330-V332 HydrophobicContact CG-CG2 3.57Å; L330-V382 HydrophobicContact CD1-CG1 3.67Å; L330-I405 HydrophobicContact CD1-CD1 4.08Å; L330-I405 HydrophobicContact CD1-CG1 4.34Å; L330-I405 HydrophobicContact CD1-CG2 3.95Å; L330-I405 HydrophobicContact CD2-CG2 4.21Å; L330-L408 HydrophobicContact CD2-CD2 4.27Å; L330-I409 HydrophobicContact CD2-CD1 4.17Å; L330-I409 HydrophobicContact CD2-CG1 3.87Å
331	R	94.5	Very high	91.8	Very high	56 Å²	56	44.8 Å²	44.8	21%	0.211	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	120.5	169.5	-56.5	-66.9	-176.4	-99.3	3.1	107.6	K323 T324 D325 D383	K323-R331 VanDerWaalsContact CG-CD 3.49Å; T324-R331 PolarHBondContact O-NH1 3.35Å; D325-R331 IonicContact OD1-CZ 3.85Å; D325-R331 IonicContact OD1-NH1 2.86Å; D325-R331 PolarHBondContact OD1-NH1 3.11Å; D325-R331 IonicContact OD1-NH2 3.14Å; D325-R331 PolarHBondContact OD1-NH2 3.43Å; D325-R331 IonicContact OD2-NH2 3.15Å; R331-D383 HydrophobicContact CB-CB 4.29Å; R331-D383 PolarHBondContact N-O 3.45Å; R331-D383 PolarHBondContact O-N 3.4Å
332	V	95.4	Very high	91.2	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.4	-172.7	-177.5	0	0	0	0	108.5	F320 A321 Y322 L330 L334 V382 I409	F320-V332 HydrophobicContact CD1-CG1 4.34Å; F320-V332 HydrophobicContact CE1-CG1 4.09Å; A321-V332 CarbonylContact C-O 3.53Å; A321-V332 WeakPolarHBondContact CA-O 3.36Å; Y322-V332 HydrophobicContact CD1-CG2 4.26Å; Y322-V332 PolarHBondContact N-O 3.22Å; Y322-V332 PolarHBondContact O-N 2.97Å; L330-V332 HydrophobicContact CD1-CG2 4.34Å; L330-V332 HydrophobicContact CD2-CG2 3.57Å; L330-V332 HydrophobicContact CG-CG2 3.57Å; V332-L334 HydrophobicContact CG1-CD1 3.81Å; V332-L334 HydrophobicContact CG1-CD2 4.22Å; V332-L334 HydrophobicContact CG1-CG 3.61Å; V332-V382 HydrophobicContact CG1-CG2 4.1Å; V332-V382 HydrophobicContact CG2-CG2 4.24Å; V332-I409 HydrophobicContact CG1-CG2 4.47Å; V332-I409 HydrophobicContact CG2-CD1 4.04Å; V332-I409 HydrophobicContact CG2-CG1 4.11Å
333	L	96.4	Very high	90.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	106	171.2	179.7	59.1	0	0	0	108.3	L288 W289 F304 T319 F320 A321 Y335 G380 V381	L288-L333 HydrophobicContact CB-CD2 3.8Å; W289-L333 HydrophobicContact CB-CB 3.77Å; W289-L333 HydrophobicContact CB-CD2 4.27Å; F304-L333 HydrophobicContact CD1-CD2 4.12Å; F304-L333 HydrophobicContact CE1-CD2 3.81Å; T319-L333 HydrophobicContact CG2-CD1 3.88Å; F320-L333 CarbonylContact O-C 3.34Å; F320-L333 WeakPolarHBondContact O-CA 3.24Å; A321-L333 HydrophobicContact CB-CD1 4.06Å; L333-Y335 HydrophobicContact CD1-CE1 4.39Å; L333-Y335 HydrophobicContact CD1-CE2 4.48Å; L333-Y335 HydrophobicContact CD2-CE2 4.36Å; L333-Y335 WeakPolarHBondContact CD2-OH 3.44Å; L333-Y335 HydrophobicContact CG-CE2 3.97Å; L333-G380 CarbonylContact O-C 3.54Å; L333-G380 WeakPolarHBondContact O-CA 3.31Å; L333-V381 PolarHBondContact N-O 3.2Å; L333-V381 PolarHBondContact O-N 2.73Å
334	L	96.5	Very high	89.7	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	153.4	-178.7	-55.1	174.9	0	0	0	110.4	F320 V332 V354 L371 L378 R379 I409	F320-L334 HydrophobicContact CB-CB 4.39Å; F320-L334 HydrophobicContact CD1-CB 4.12Å; F320-L334 HydrophobicContact CD1-CD1 3.97Å; F320-L334 HydrophobicContact CD1-CG 4.21Å; F320-L334 HydrophobicContact CE1-CD1 4.33Å; F320-L334 PolarHBondContact N-O 3.07Å; F320-L334 PolarHBondContact O-N 2.72Å; V332-L334 HydrophobicContact CG1-CD1 3.81Å; V332-L334 HydrophobicContact CG1-CD2 4.22Å; V332-L334 HydrophobicContact CG1-CG 3.61Å; L334-V354 HydrophobicContact CD2-CB 4.42Å; L334-V354 HydrophobicContact CD2-CG1 3.74Å; L334-V354 HydrophobicContact CD2-CG2 3.7Å; L334-L371 HydrophobicContact CD1-CD1 4.39Å; L334-L371 HydrophobicContact CD1-CD2 4.35Å; L334-L378 HydrophobicContact CD1-CD1 3.97Å; L334-R379 CarbonylContact C-O 3.56Å; L334-R379 WeakPolarHBondContact CA-O 3.49Å; L334-I409 HydrophobicContact CD1-CG2 3.88Å
335	Y	96	Very high	88.9	Confident	1 Å²	1	54.9 Å²	54.9	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.5	-179.2	-61.3	-74.9	0	0	0	110.2	H301 F304 Y305 L308 P316 Y318 T319 L333 R379	H301-Y335 HydrophobicContact CB-CE1 4.12Å; H301-Y335 AromaticContact ND1-CE1 3.6Å; H301-Y335 AromaticContact ND1-CZ 3.64Å; H301-Y335 PolarHBondContact ND1-OH 3.42Å; F304-Y335 AromaticContact CD1-CE2 3.75Å; F304-Y335 HydrophobicContact CD1-CE2 3.75Å; F304-Y335 WeakPolarHBondContact CD1-OH 3.5Å; F304-Y335 HydrophobicContact CE1-CE2 4.09Å; Y305-Y335 AromaticContact CD2-CD2 3.94Å; Y305-Y335 HydrophobicContact CD2-CD2 3.94Å; Y305-Y335 AromaticContact CD2-CG 3.77Å; Y305-Y335 HydrophobicContact CD2-CG 3.77Å; Y305-Y335 HydrophobicContact CG-CG 4.47Å; L308-Y335 HydrophobicContact CD1-CD2 4.37Å; L308-Y335 HydrophobicContact CD1-CE2 4.17Å; P316-Y335 HydrophobicContact CB-CD1 3.48Å; P316-Y335 VanDerWaalsContact CB-CD1 3.48Å; P316-Y335 HydrophobicContact CB-CE1 4.32Å; P316-Y335 HydrophobicContact CB-CG 4.04Å; P316-Y335 HydrophobicContact CG-CD1 3.89Å; P316-Y335 HydrophobicContact CG-CE1 4.26Å; Y318-Y335 WeakPolarHBondContact O-CA 3.23Å; T319-Y335 HydrophobicContact CG2-CD1 4.15Å; T319-Y335 HydrophobicContact CG2-CE1 3.67Å; T319-Y335 WeakPolarHBondContact OG1-CE1 3.26Å; L333-Y335 HydrophobicContact CD1-CE1 4.39Å; L333-Y335 HydrophobicContact CD1-CE2 4.48Å; L333-Y335 HydrophobicContact CD2-CE2 4.36Å; L333-Y335 WeakPolarHBondContact CD2-OH 3.44Å; L333-Y335 HydrophobicContact CG-CE2 3.97Å; Y335-R379 PolarHBondContact N-O 3.38Å; Y335-R379 PolarHBondContact O-N 3.17Å; Y335-R379 VanDerWaalsContact O-N 3.1Å
336	V	95.1	Very high	88.3	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.9	166.2	-177.1	0	0	0	0	107.7	P316 R317 Y318 F377 L378 F413 F431 Y435	P316-V336 CarbonylContact C-O 3.53Å; P316-V336 WeakPolarHBondContact CA-O 3.5Å; R317-V336 HydrophobicContact CG-CB 3.95Å; R317-V336 HydrophobicContact CG-CG1 3.76Å; R317-V336 WeakPolarHBondContact CG-O 3.43Å; R317-V336 PolarHBondContact N-O 3.03Å; Y318-V336 HydrophobicContact CD2-CB 4.23Å; Y318-V336 HydrophobicContact CD2-CG2 4.16Å; Y318-V336 PolarHBondContact O-N 3.02Å; V336-F377 HydrophobicContact CG1-CD2 4.34Å; V336-F377 HydrophobicContact CG1-CE2 4.25Å; V336-F377 HydrophobicContact CG2-CE2 4.21Å; V336-L378 HydrophobicContact CG2-CD2 3.67Å; V336-F413 HydrophobicContact CG2-CE2 4.48Å; V336-F413 HydrophobicContact CG2-CZ 4.05Å; V336-F431 HydrophobicContact CG1-CD2 4Å; V336-F431 HydrophobicContact CG1-CE2 3.87Å; V336-Y435 HydrophobicContact CG1-CD2 4.16Å; V336-Y435 HydrophobicContact CG1-CE2 3.75Å
337	P	93.4	Very high	87.9	Confident	15 Å²	15	51.9 Å²	51.9	10%	0.097	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	143.7	177.1	-25.2	34.7	0	0	0	112.7	Y305 R317 F377 R379 Y435	Y305-P337 HydrophobicContact CE2-CG 4.47Å; Y305-P337 WeakPolarHBondContact OH-CA 3.34Å; Y305-P337 WeakPolarHBondContact OH-CB 3.16Å; Y305-P337 WeakPolarHBondContact OH-CG 2.93Å; R317-P337 PolarHBondContact NE-O 3.41Å; P337-F377 WeakPolarHBondContact CD-O 3.4Å; P337-R379 HydrophobicContact CG-CG 4.28Å; P337-Y435 WeakPolarHBondContact CB-OH 3.33Å; P337-Y435 PolarHBondContact O-OH 3.24Å
338	N	93	Very high	87.2	Confident	68 Å²	68	53 Å²	53	36%	0.364	26%	0.258	S	S	.	.	S	Bend	trans	-75.5	-30.9	174.6	-173.6	49.7	0	0	0	111.9	D314 S315 R317	D314-N338 WeakPolarHBondContact OD1-CB 3.28Å; D314-N338 PolarHBondContact OD1-N 3.42Å; S315-N338 WeakPolarHBondContact O-CB 3.37Å; S315-N338 PolarHBondContact O-N 2.9Å; R317-N338 HydrophobicContact CB-CB 4.28Å; R317-N338 PolarHBondContact NH2-O 3.22Å
339	W	88.1	Confident	86.1	Confident	139 Å²	139	56.1 Å²	56.1	53%	0.527	28%	0.275	S	S	.	.	S	Bend	trans	-73.7	138	174.8	-70.7	6.4	0	0	0	112.1	N311 D314 Y435	N311-W339 WeakPolarHBondContact ND2-CZ3 3.44Å; D314-W339 HydrophobicContact CB-CD2 4.21Å; D314-W339 HydrophobicContact CB-CG 4.42Å; D314-W339 VanDerWaalsContact OD1-CD1 3.28Å; D314-W339 PolarHBondContact OD1-N 3.23Å; W339-Y435 PolarHBondContact O-OH 3.41Å
340	K	88.6	Confident	84.5	Confident	128 Å²	128	59.4 Å²	59.4	56%	0.557	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-62.7	132.5	172.1	-174.4	178.6	-170.2	132.3	0	109.6	S342 D433 D434	K340-S342 PolarHBondContact O-N 3.38Å; K340-D433 PolarHBondContact NZ-O 3.19Å; K340-D433 VanDerWaalsContact NZ-O 3.12Å; K340-D434 HydrophobicContact CB-CB 4.43Å; K340-D434 WeakPolarHBondContact CD-OD1 3.16Å; K340-D434 HydrophobicContact CG-CB 4.12Å; K340-D434 IonicContact NZ-OD1 2.68Å
341	P	83.6	Confident	82.9	Confident	21 Å²	21	62.9 Å²	62.9	14%	0.136	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-62.8	137.3	175.8	22.8	-29.3	0	0	0	110.2	M346 Y435 Y438	P341-M346 HydrophobicContact CB-CG 4.38Å; P341-Y435 HydrophobicContact CG-CD1 4.14Å; P341-Y435 HydrophobicContact CG-CE1 3.78Å; P341-Y438 HydrophobicContact CB-CE2 4.41Å; P341-Y438 WeakPolarHBondContact CB-OH 3.38Å; P341-Y438 HydrophobicContact CG-CE2 3.63Å
342	S	83.5	Confident	81.5	Confident	47 Å²	47	61.2 Å²	61.2	33%	0.329	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-74.8	157.4	174.8	78.6	0	0	0	0	110.5	K340 F344 D345 M346	K340-S342 PolarHBondContact O-N 3.38Å; S342-F344 PolarHBondContact O-N 3.25Å; S342-F344 VanDerWaalsContact O-N 3.16Å; S342-F344 PolarHBondContact OG-N 2.98Å; S342-D345 VanDerWaalsContact CB-OD2 3.26Å; S342-D345 WeakPolarHBondContact CB-OD2 3.32Å; S342-D345 PolarHBondContact N-OD2 3.47Å; S342-D345 WeakPolarHBondContact O-CB 3.32Å; S342-D345 PolarHBondContact O-N 3.12Å; S342-D345 PolarHBondContact OG-N 3.06Å; S342-D345 VanDerWaalsContact OG-N 3.16Å; S342-D345 PolarHBondContact OG-OD2 3.16Å; S342-M346 WeakPolarHBondContact O-CG 3.22Å; S342-M346 PolarHBondContact O-N 3.05Å
343	I	79.4	Confident	80.6	Confident	108 Å²	108	61.8 Å²	61.8	55%	0.554	32%	0.321	S	S	*	.	H	α-helix	trans	-56.6	-32.9	174.4	-60.3	170.3	0	0	0	110.7	M346 A347	I343-M346 PolarHBondContact O-N 2.93Å; I343-A347 WeakPolarHBondContact O-CB 3.18Å; I343-A347 PolarHBondContact O-N 3.39Å; I343-A347 VanDerWaalsContact O-N 3.1Å
344	F	78	Confident	80.3	Confident	147 Å²	147	61.9 Å²	61.9	65%	0.645	32%	0.322	S	S	*	.	H	α-helix	trans	-68.5	-36.8	175.6	-66.7	-76.3	0	0	0	112.6	S342 A347 R348	S342-F344 PolarHBondContact O-N 3.25Å; S342-F344 VanDerWaalsContact O-N 3.16Å; S342-F344 PolarHBondContact OG-N 2.98Å; F344-A347 PolarHBondContact O-N 3.41Å; F344-R348 WeakPolarHBondContact O-CG 3.4Å; F344-R348 PolarHBondContact O-N 3.43Å
345	D	75.1	Confident	80	Confident	77 Å²	77	62.1 Å²	62.1	41%	0.412	32%	0.324	S	S	.	.	H	α-helix	trans	-70.5	-36.2	175.7	-55.9	-44.6	0	0	0	111.1	S342 A347 R348	S342-D345 VanDerWaalsContact CB-OD2 3.26Å; S342-D345 WeakPolarHBondContact CB-OD2 3.32Å; S342-D345 PolarHBondContact N-OD2 3.47Å; S342-D345 WeakPolarHBondContact O-CB 3.32Å; S342-D345 PolarHBondContact O-N 3.12Å; S342-D345 PolarHBondContact OG-N 3.06Å; S342-D345 VanDerWaalsContact OG-N 3.16Å; S342-D345 PolarHBondContact OG-OD2 3.16Å; D345-A347 VanDerWaalsContact C-N 3.31Å; D345-A347 PolarHBondContact O-N 3.22Å; D345-R348 PolarHBondContact O-N 2.96Å
346	M	77.3	Confident	79.7	Confident	50 Å²	50	62.1 Å²	62.1	25%	0.246	32%	0.324	C	S	.	.	H	α-helix	trans	-63.5	-37.1	175.4	-70	-179.9	66.8	0	0	112.5	P341 S342 I343 R376 V437 Y438	P341-M346 HydrophobicContact CB-CG 4.38Å; S342-M346 WeakPolarHBondContact O-CG 3.22Å; S342-M346 PolarHBondContact O-N 3.05Å; I343-M346 PolarHBondContact O-N 2.93Å; M346-R376 PolarHBondContact O-NH2 3.44Å; M346-V437 HydrophobicContact CE-CB 4.27Å; M346-V437 HydrophobicContact CE-CG1 3.44Å; M346-V437 VanDerWaalsContact CE-CG1 3.44Å; M346-V437 HydrophobicContact CE-CG2 3.85Å; M346-V437 HydrophobicContact SD-CG1 4.37Å; M346-Y438 HydrophobicContact CG-CE2 4.38Å; M346-Y438 WeakPolarHBondContact CG-OH 3.44Å
347	A	76.2	Confident	79.3	Confident	69 Å²	69	62.2 Å²	62.2	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-82	-17.7	-179	0	0	0	0	0	114	I343 F344 D345	I343-A347 WeakPolarHBondContact O-CB 3.18Å; I343-A347 PolarHBondContact O-N 3.39Å; I343-A347 VanDerWaalsContact O-N 3.1Å; F344-A347 PolarHBondContact O-N 3.41Å; D345-A347 VanDerWaalsContact C-N 3.31Å; D345-A347 PolarHBondContact O-N 3.22Å
348	R	71.8	Confident	78.9	Confident	138 Å²	138	62.1 Å²	62.1	52%	0.521	32%	0.324	S	S	.	.			trans	-89.6	120.2	178.6	-76.9	-179.2	-178.6	-172.8	4.2	111.2	F344 D345 N352	F344-R348 WeakPolarHBondContact O-CG 3.4Å; F344-R348 PolarHBondContact O-N 3.43Å; D345-R348 PolarHBondContact O-N 2.96Å; R348-N352 PolarHBondContact O-ND2 3.42Å
349	D	63.4	Low	78.2	Confident	80 Å²	80	62.4 Å²	62.4	43%	0.428	32%	0.32	S	S	.	.	S	Bend	trans	-79.8	-29.5	171.5	-76	-20.3	0	0	0	112.2	D351 K373	D349-D351 PolarHBondContact O-N 3.29Å; D349-K373 WeakPolarHBondContact OD1-CE 3.26Å; D349-K373 IonicContact OD1-NZ 3.72Å; D349-K373 PolarHBondContact OD1-NZ 3.01Å; D349-K373 IonicContact OD2-NZ 3.59Å; D349-K373 PolarHBondContact OD2-NZ 2.73Å
350	S	55.5	Low	77.9	Confident	99 Å²	99	58.2 Å²	58.2	69%	0.692	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.9	-160.4	56.8	0	0	0	0	117.1
351	D	59.1	Low	77.3	Confident	73 Å²	73	52.3 Å²	52.3	39%	0.39	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-0.7	-172.4	-80.6	-46.8	0	0	0	114.2	D349 R366	D349-D351 PolarHBondContact O-N 3.29Å; D351-R366 PolarHBondContact O-NH1 3.17Å; D351-R366 VanDerWaalsContact O-NH1 3.16Å; D351-R366 IonicContact OD1-NH1 2.69Å; D351-R366 PolarHBondContact OD1-NH1 3.39Å
352	N	66.9	Low	77.3	Confident	21 Å²	21	51.6 Å²	51.6	11%	0.112	28%	0.275	C	S	.	.			trans	-103.5	126.9	-169.8	-63.4	-38.6	0	0	0	111.2	R348 R376 R379	R348-N352 PolarHBondContact O-ND2 3.42Å; N352-R376 HydrophobicContact CB-CB 3.88Å; N352-R379 PolarHBondContact OD1-NH2 3.3Å
353	G	75.7	Confident	77.2	Confident	15 Å²	15	49.8 Å²	49.8	16%	0.155	26%	0.261	C	S	.	.			trans	176.2	160.1	175.8	0	0	0	0	0	112
354	V	90.4	Very high	77.4	Confident	2 Å²	2	47 Å²	47	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	143.2	174.4	173.5	0	0	0	0	108.1	L334 T367 L371 G380 V382	L334-V354 HydrophobicContact CD2-CB 4.42Å; L334-V354 HydrophobicContact CD2-CG1 3.74Å; L334-V354 HydrophobicContact CD2-CG2 3.7Å; V354-T367 PolarHBondContact N-O 3.3Å; V354-T367 WeakPolarHBondContact O-CG2 3.32Å; V354-T367 PolarHBondContact O-N 3.5Å; V354-L371 HydrophobicContact CG2-CD1 3.5Å; V354-L371 VanDerWaalsContact CG2-CD1 3.5Å; V354-L371 HydrophobicContact CG2-CG 4.29Å; V354-G380 WeakPolarHBondContact CG1-O 3.41Å; V354-V382 HydrophobicContact CG1-CB 4.28Å; V354-V382 HydrophobicContact CG1-CG2 3.73Å
355	A	89.5	Confident	77.5	Confident	6 Å²	6	43.9 Å²	43.9	5%	0.05	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	133	177.4	0	0	0	0	0	110	Y357 N365 G380 V381 V382	A355-Y357 HydrophobicContact CB-CD2 4.25Å; A355-Y357 HydrophobicContact CB-CE2 3.69Å; A355-N365 VanDerWaalsContact CA-O 3.27Å; A355-N365 WeakPolarHBondContact CA-O 3.26Å; A355-N365 VanDerWaalsContact CB-O 3.29Å; A355-N365 WeakPolarHBondContact CB-O 2.98Å; A355-G380 PolarHBondContact N-O 3.02Å; A355-V381 HydrophobicContact CB-CG2 4.34Å; A355-V381 WeakPolarHBondContact O-CA 3.44Å; A355-V382 PolarHBondContact O-N 2.86Å
356	L	89.8	Confident	77.8	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.5	178.7	-178.3	66.8	0	0	0	110.6	I363 M364 T367 L370 V382 I387 L396	L356-I363 HydrophobicContact CD2-CB 4.45Å; L356-I363 HydrophobicContact CG-CB 4.44Å; L356-I363 PolarHBondContact O-N 3.2Å; L356-M364 HydrophobicContact CB-CB 4.32Å; L356-M364 PolarHBondContact N-O 3.45Å; L356-M364 PolarHBondContact O-N 2.72Å; L356-T367 HydrophobicContact CB-CG2 3.86Å; L356-L370 HydrophobicContact CB-CD1 4.05Å; L356-L370 HydrophobicContact CD1-CD1 3.8Å; L356-L370 HydrophobicContact CD1-CD2 4.31Å; L356-L370 HydrophobicContact CG-CD1 4.4Å; L356-V382 WeakPolarHBondContact CA-O 3.45Å; L356-V382 HydrophobicContact CD1-CB 4.42Å; L356-V382 HydrophobicContact CD1-CG1 4.12Å; L356-V382 WeakPolarHBondContact CD1-O 3.41Å; L356-I387 HydrophobicContact CD1-CD1 3.46Å; L356-I387 VanDerWaalsContact CD1-CD1 3.46Å; L356-I387 HydrophobicContact CD2-CD1 4.1Å; L356-I387 HydrophobicContact CG-CD1 4.33Å; L356-L396 HydrophobicContact CD2-CD1 4.38Å; L356-L396 HydrophobicContact CD2-CD2 3.37Å; L356-L396 HydrophobicContact CD2-CG 4.41Å
357	Y	88.1	Confident	78	Confident	3 Å²	3	44.1 Å²	44.1	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	155.9	177	-74.2	-104.3	0	0	0	110.4	F270 W289 A355 V361 M362 V381 V382 D383 S384	F270-Y357 AromaticContact CD2-CE1 3.66Å; F270-Y357 HydrophobicContact CD2-CE1 3.66Å; F270-Y357 AromaticContact CD2-CZ 3.89Å; F270-Y357 HydrophobicContact CE2-CE1 4.22Å; F270-Y357 AromaticContact CE2-CZ 3.96Å; F270-Y357 VanDerWaalsContact CE2-OH 3.24Å; F270-Y357 WeakPolarHBondContact CE2-OH 3.45Å; W289-Y357 HydrophobicContact CH2-CD1 4.23Å; W289-Y357 HydrophobicContact CH2-CE1 4.15Å; W289-Y357 HydrophobicContact CZ2-CD1 4.05Å; W289-Y357 HydrophobicContact CZ2-CE1 4.42Å; W289-Y357 HydrophobicContact CZ2-CG 4.17Å; A355-Y357 HydrophobicContact CB-CD2 4.25Å; A355-Y357 HydrophobicContact CB-CE2 3.69Å; Y357-V361 VanDerWaalsContact CA-O 3.31Å; Y357-V361 WeakPolarHBondContact CA-O 3.36Å; Y357-M362 HydrophobicContact CD1-CB 4.12Å; Y357-M362 HydrophobicContact CE1-CB 3.64Å; Y357-M362 HydrophobicContact CE1-CG 4.41Å; Y357-M362 HydrophobicContact CE2-CB 4.46Å; Y357-M362 HydrophobicContact CE2-CE 4.19Å; Y357-M362 HydrophobicContact CE2-CG 4.38Å; Y357-M362 WeakPolarHBondContact OH-CE 3.29Å; Y357-V381 HydrophobicContact CD2-CB 4.47Å; Y357-V381 HydrophobicContact CD2-CG1 3.45Å; Y357-V381 VanDerWaalsContact CD2-CG1 3.45Å; Y357-V381 HydrophobicContact CD2-CG2 4.32Å; Y357-V381 HydrophobicContact CE2-CG1 3.94Å; Y357-V381 HydrophobicContact CE2-CG2 3.95Å; Y357-V381 HydrophobicContact CG-CG1 4.14Å; Y357-V382 PolarHBondContact N-O 3.03Å; Y357-D383 WeakPolarHBondContact O-CA 2.97Å; Y357-S384 PolarHBondContact O-N 3.2Å
358	S	84.3	Confident	78.4	Confident	12 Å²	12	47.8 Å²	47.8	8%	0.084	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	124.3	163.4	-170.8	0	0	0	0	107.4	K360 V361 D383 S384	S358-K360 VanDerWaalsContact C-N 3.28Å; S358-K360 PolarHBondContact O-N 3.08Å; S358-V361 PolarHBondContact N-O 2.97Å; S358-V361 PolarHBondContact O-N 3.03Å; S358-D383 VanDerWaalsContact CA-OD1 3.31Å; S358-D383 WeakPolarHBondContact CA-OD1 3.27Å; S358-S384 PolarHBondContact OG-O 2.7Å
359	R	78.2	Confident	79.1	Confident	74 Å²	74	44.4 Å²	44.4	28%	0.279	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	45.5	-177.9	-57.5	-177.4	177.6	-170.6	-5.3	112	I183 V361 D383 E385	I183-R359 PolarHBondContact O-NH1 3.31Å; R359-V361 PolarHBondContact O-N 2.93Å; R359-D383 PolarHBondContact N-OD1 3.18Å; R359-E385 HydrophobicContact CG-CG 4.22Å
360	K	80.8	Confident	80.4	Confident	51 Å²	51	40.6 Å²	40.6	22%	0.222	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	6.4	-179.2	-49.7	159.6	-172.1	155.9	0	115.4	D182 F270 P287 T290 S358 D383	D182-K360 IonicContact OD2-NZ 2.73Å; D182-K360 PolarHBondContact OD2-NZ 2.96Å; F270-K360 HydrophobicContact CB-CB 4.35Å; P287-K360 HydrophobicContact CG-CD 4.41Å; T290-K360 HydrophobicContact CG2-CG 4.45Å; S358-K360 VanDerWaalsContact C-N 3.28Å; S358-K360 PolarHBondContact O-N 3.08Å; K360-D383 PolarHBondContact N-OD2 3.14Å
361	V	77.1	Confident	82.1	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.03	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.8	172.5	-178.4	0	0	0	0	109.4	R94 I184 Y357 S358 R359 I363	R94-V361 HydrophobicContact CG-CG1 4.11Å; I184-V361 HydrophobicContact CD1-CG2 3.53Å; I184-V361 HydrophobicContact CG1-CG2 3.88Å; I184-V361 HydrophobicContact CG2-CG2 4.13Å; Y357-V361 VanDerWaalsContact CA-O 3.31Å; Y357-V361 WeakPolarHBondContact CA-O 3.36Å; S358-V361 PolarHBondContact N-O 2.97Å; S358-V361 PolarHBondContact O-N 3.03Å; R359-V361 PolarHBondContact O-N 2.93Å; V361-I363 PolarHBondContact O-N 3.1Å
362	M	83.3	Confident	83.7	Confident	6 Å²	6	33.7 Å²	33.7	3%	0.03	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	125.6	177.7	-174.4	-174.6	-76	0	0	109.9	K266 Y357 N365	K266-M362 HydrophobicContact CG-SD 4.3Å; K266-M362 WeakPolarHBondContact O-CE 3.45Å; K266-M362 VanDerWaalsContact O-SD 3.37Å; Y357-M362 HydrophobicContact CD1-CB 4.12Å; Y357-M362 HydrophobicContact CE1-CB 3.64Å; Y357-M362 HydrophobicContact CE1-CG 4.41Å; Y357-M362 HydrophobicContact CE2-CB 4.46Å; Y357-M362 HydrophobicContact CE2-CE 4.19Å; Y357-M362 HydrophobicContact CE2-CG 4.38Å; Y357-M362 WeakPolarHBondContact OH-CE 3.29Å; M362-N365 HydrophobicContact CE-CB 4.45Å; M362-N365 VanDerWaalsContact SD-CA 3.52Å; M362-N365 HydrophobicContact SD-CB 3.68Å
363	I	82.5	Confident	84.8	Confident	8 Å²	8	37 Å²	37	4%	0.041	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-52.3	174	-52.2	-54.1	0	0	0	109.1	L356 V361 L389 R393	L356-I363 HydrophobicContact CD2-CB 4.45Å; L356-I363 HydrophobicContact CG-CB 4.44Å; L356-I363 PolarHBondContact O-N 3.2Å; V361-I363 PolarHBondContact O-N 3.1Å; I363-L389 HydrophobicContact CB-CD2 4.38Å; I363-L389 HydrophobicContact CD1-CD1 3.72Å; I363-L389 HydrophobicContact CD1-CD2 3.64Å; I363-L389 HydrophobicContact CD1-CG 4.36Å; I363-L389 HydrophobicContact CG1-CD2 3.76Å; I363-L389 HydrophobicContact CG2-CD2 3.7Å; I363-R393 WeakPolarHBondContact CG2-O 3.28Å
364	M	83	Confident	85.6	Confident	50 Å²	50	36.4 Å²	36.4	25%	0.246	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	129.4	177.6	-58.2	-179.4	78.7	0	0	109.5	L356 R366 L396	L356-M364 HydrophobicContact CB-CB 4.32Å; L356-M364 PolarHBondContact N-O 3.45Å; L356-M364 PolarHBondContact O-N 2.72Å; M364-R366 VanDerWaalsContact C-N 3.33Å; M364-R366 PolarHBondContact O-N 3.32Å; M364-L396 HydrophobicContact SD-CD1 4.04Å; M364-L396 HydrophobicContact SD-CD2 4.44Å; M364-L396 HydrophobicContact SD-CG 3.97Å
365	N	80.3	Confident	85.8	Confident	81 Å²	81	36.3 Å²	36.3	43%	0.433	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	-37.8	178.7	-173.8	32.6	0	0	0	112.3	A355 M362	A355-N365 VanDerWaalsContact CA-O 3.27Å; A355-N365 WeakPolarHBondContact CA-O 3.26Å; A355-N365 VanDerWaalsContact CB-O 3.29Å; A355-N365 WeakPolarHBondContact CB-O 2.98Å; M362-N365 HydrophobicContact CE-CB 4.45Å; M362-N365 VanDerWaalsContact SD-CA 3.52Å; M362-N365 HydrophobicContact SD-CB 3.68Å
366	R	80.6	Confident	85.9	Confident	125 Å²	125	37.2 Å²	37.2	47%	0.472	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	128.2	176.9	-65.1	-177.7	-177.3	170	-3.2	108.8	D351 M364	D351-R366 PolarHBondContact O-NH1 3.17Å; D351-R366 VanDerWaalsContact O-NH1 3.16Å; D351-R366 IonicContact OD1-NH1 2.69Å; D351-R366 PolarHBondContact OD1-NH1 3.39Å; M364-R366 VanDerWaalsContact C-N 3.33Å; M364-R366 PolarHBondContact O-N 3.32Å
367	T	82.4	Confident	86	Confident	8 Å²	8	37.5 Å²	37.5	5%	0.049	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	128.8	173.4	174.9	0	0	0	0	110.4	V354 L356 V369 L370	V354-T367 PolarHBondContact N-O 3.3Å; V354-T367 WeakPolarHBondContact O-CG2 3.32Å; V354-T367 PolarHBondContact O-N 3.5Å; L356-T367 HydrophobicContact CB-CG2 3.86Å; T367-V369 WeakPolarHBondContact OG1-CG2 3.21Å; T367-V369 PolarHBondContact OG1-N 2.58Å; T367-L370 HydrophobicContact CG2-CB 4.3Å; T367-L370 HydrophobicContact CG2-CD1 3.28Å; T367-L370 HydrophobicContact CG2-CG 3.46Å; T367-L370 VanDerWaalsContact CG2-CG 3.46Å
368	E	83.3	Confident	86.2	Confident	146 Å²	146	37.4 Å²	37.4	68%	0.682	17%	0.174	S	C	*	.	S	Bend	trans	-83.4	-15.6	178.9	62.4	178.8	-178.3	0	0	112.4
369	V	86.9	Confident	86.6	Confident	66 Å²	66	39.6 Å²	39.6	40%	0.4	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-15.5	-173.2	-63.3	0	0	0	0	113.8	T367 L371 L396 I402 N406	T367-V369 WeakPolarHBondContact OG1-CG2 3.21Å; T367-V369 PolarHBondContact OG1-N 2.58Å; V369-L371 VanDerWaalsContact C-N 3.34Å; V369-L396 HydrophobicContact CG2-CD1 3.5Å; V369-L396 VanDerWaalsContact CG2-CD1 3.5Å; V369-I402 HydrophobicContact CB-CG2 3.95Å; V369-I402 HydrophobicContact CG2-CG2 3.72Å; V369-N406 PolarHBondContact O-ND2 3.47Å
370	L	90.1	Very high	87.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-21.9	-178.7	-68.7	-176.7	0	0	0	113.9	L356 T367 V382 I402 I405 N406	L356-L370 HydrophobicContact CB-CD1 4.05Å; L356-L370 HydrophobicContact CD1-CD1 3.8Å; L356-L370 HydrophobicContact CD1-CD2 4.31Å; L356-L370 HydrophobicContact CG-CD1 4.4Å; T367-L370 HydrophobicContact CG2-CB 4.3Å; T367-L370 HydrophobicContact CG2-CD1 3.28Å; T367-L370 HydrophobicContact CG2-CG 3.46Å; T367-L370 VanDerWaalsContact CG2-CG 3.46Å; L370-V382 HydrophobicContact CD1-CB 3.77Å; L370-V382 HydrophobicContact CD1-CG1 4.08Å; L370-V382 HydrophobicContact CD1-CG2 4.1Å; L370-I402 HydrophobicContact CD2-CD1 4.15Å; L370-I405 HydrophobicContact CD2-CG2 4.28Å; L370-N406 WeakPolarHBondContact O-CA 3.35Å
371	L	92.8	Very high	87.9	Confident	13 Å²	13	33.9 Å²	33.9	7%	0.068	16%	0.16	C	C	.	.	S	Bend	trans	-131.2	149.9	178.2	-69.3	178	0	0	0	109.2	L334 V354 V369 L375 L378 N406 I409	L334-L371 HydrophobicContact CD1-CD1 4.39Å; L334-L371 HydrophobicContact CD1-CD2 4.35Å; V354-L371 HydrophobicContact CG2-CD1 3.5Å; V354-L371 VanDerWaalsContact CG2-CD1 3.5Å; V354-L371 HydrophobicContact CG2-CG 4.29Å; V369-L371 VanDerWaalsContact C-N 3.34Å; L371-L375 HydrophobicContact CB-CB 4.23Å; L371-L375 HydrophobicContact CD1-CB 4.43Å; L371-L375 HydrophobicContact CD2-CD1 4.4Å; L371-L378 HydrophobicContact CD1-CB 3.89Å; L371-L378 HydrophobicContact CD1-CD1 3.92Å; L371-L378 HydrophobicContact CD1-CG 4.43Å; L371-N406 WeakPolarHBondContact CA-ND2 3.19Å; L371-N406 PolarHBondContact N-ND2 3.48Å; L371-N406 PolarHBondContact O-ND2 2.98Å; L371-I409 HydrophobicContact CD2-CB 4.2Å; L371-I409 HydrophobicContact CD2-CG2 3.5Å
372	P	92.5	Very high	88.7	Confident	15 Å²	15	33.7 Å²	33.7	10%	0.097	16%	0.159	C	C	.	.			trans	-64.4	152	172.4	30	-36.2	0	0	0	109.8	W374 L375 T410	P372-W374 HydrophobicContact CB-CG 4.46Å; P372-W374 HydrophobicContact CG-CD2 4.34Å; P372-W374 HydrophobicContact CG-CG 4.49Å; P372-W374 HydrophobicContact CG-CZ2 3.95Å; P372-W374 PolarHBondContact O-N 2.69Å; P372-L375 HydrophobicContact CG-CB 4.17Å; P372-L375 HydrophobicContact CG-CD1 3.88Å; P372-L375 HydrophobicContact CG-CG 4.02Å; P372-L375 PolarHBondContact O-N 3.15Å; P372-T410 WeakPolarHBondContact CD-OG1 3.42Å; P372-T410 HydrophobicContact CG-CG2 4.1Å; P372-T410 WeakPolarHBondContact CG-OG1 3.38Å
373	K	90.5	Very high	89.1	Confident	91 Å²	91	33.9 Å²	33.9	40%	0.396	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-54.6	-32.6	-174	-177.5	171.6	-179.5	164.9	0	113.5	D349 L375 R376	D349-K373 WeakPolarHBondContact OD1-CE 3.26Å; D349-K373 IonicContact OD1-NZ 3.72Å; D349-K373 PolarHBondContact OD1-NZ 3.01Å; D349-K373 IonicContact OD2-NZ 3.59Å; D349-K373 PolarHBondContact OD2-NZ 2.73Å; K373-L375 VanDerWaalsContact C-N 3.27Å; K373-L375 PolarHBondContact O-N 3.49Å; K373-R376 WeakPolarHBondContact O-CB 3.44Å; K373-R376 WeakPolarHBondContact O-CD 3.34Å; K373-R376 WeakPolarHBondContact O-CG 3.43Å; K373-R376 PolarHBondContact O-N 2.9Å; K373-R376 PolarHBondContact O-NH1 3.23Å
374	W	92.2	Very high	89.5	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.008	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-71.7	-18.4	178.4	65	-95.6	0	0	0	113.1	P372 R376 F377 T410 L414 Y438 L439 E441 G442 E446 I455	P372-W374 HydrophobicContact CB-CG 4.46Å; P372-W374 HydrophobicContact CG-CD2 4.34Å; P372-W374 HydrophobicContact CG-CG 4.49Å; P372-W374 HydrophobicContact CG-CZ2 3.95Å; P372-W374 PolarHBondContact O-N 2.69Å; W374-R376 VanDerWaalsContact C-N 3.34Å; W374-F377 WeakPolarHBondContact O-CE1 3.18Å; W374-T410 HydrophobicContact CH2-CG2 4.22Å; W374-T410 HydrophobicContact CZ2-CG2 3.63Å; W374-L414 HydrophobicContact CH2-CD1 4.31Å; W374-L414 HydrophobicContact CH2-CD2 3.79Å; W374-L414 HydrophobicContact CH2-CG 4.16Å; W374-L414 HydrophobicContact CZ3-CD2 4.42Å; W374-Y438 WeakPolarHBondContact CB-O 3.47Å; W374-Y438 WeakPolarHBondContact O-CB 3.36Å; W374-Y438 WeakPolarHBondContact O-CD1 3.39Å; W374-L439 HydrophobicContact CE3-CD2 4.13Å; W374-L439 HydrophobicContact CZ3-CD2 3.57Å; W374-E441 HydrophobicContact CB-CB 4.37Å; W374-E441 HydrophobicContact CB-CG 4.36Å; W374-G442 VanDerWaalsContact CD1-CA 3.45Å; W374-E446 PolarHBondContact NE1-OE1 3.49Å; W374-I455 HydrophobicContact CH2-CD1 4.08Å; W374-I455 HydrophobicContact CH2-CG1 4.03Å; W374-I455 HydrophobicContact CZ2-CD1 3.74Å; W374-I455 HydrophobicContact CZ2-CG1 4.16Å
375	L	94.2	Very high	89.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-91.6	14.3	172	-73.4	-178	0	0	0	113.9	L371 P372 K373 F377 L378 T410 F413	L371-L375 HydrophobicContact CB-CB 4.23Å; L371-L375 HydrophobicContact CD1-CB 4.43Å; L371-L375 HydrophobicContact CD2-CD1 4.4Å; P372-L375 HydrophobicContact CG-CB 4.17Å; P372-L375 HydrophobicContact CG-CD1 3.88Å; P372-L375 HydrophobicContact CG-CG 4.02Å; P372-L375 PolarHBondContact O-N 3.15Å; K373-L375 VanDerWaalsContact C-N 3.27Å; K373-L375 PolarHBondContact O-N 3.49Å; L375-F377 HydrophobicContact CD2-CE1 3.77Å; L375-F377 HydrophobicContact CD2-CZ 3.77Å; L375-F377 PolarHBondContact O-N 2.76Å; L375-L378 HydrophobicContact CB-CD1 4.15Å; L375-L378 HydrophobicContact CD1-CD1 4.33Å; L375-L378 HydrophobicContact CD2-CD1 4.16Å; L375-L378 HydrophobicContact CG-CD1 4.46Å; L375-L378 WeakPolarHBondContact O-CB 3.43Å; L375-L378 WeakPolarHBondContact O-CG 3.4Å; L375-L378 PolarHBondContact O-N 3.02Å; L375-T410 HydrophobicContact CD1-CG2 4.29Å; L375-F413 HydrophobicContact CD1-CD1 4.03Å; L375-F413 HydrophobicContact CD2-CD1 3.79Å; L375-F413 HydrophobicContact CD2-CE1 3.72Å
376	R	91.3	Very high	89.7	Confident	24 Å²	24	34.6 Å²	34.6	9%	0.091	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14	-177.4	70.4	-176.1	172.8	-76.5	3	115.5	M346 N352 K373 W374 L378 R379 Y438 E441	M346-R376 PolarHBondContact O-NH2 3.44Å; N352-R376 HydrophobicContact CB-CB 3.88Å; K373-R376 WeakPolarHBondContact O-CB 3.44Å; K373-R376 WeakPolarHBondContact O-CD 3.34Å; K373-R376 WeakPolarHBondContact O-CG 3.43Å; K373-R376 PolarHBondContact O-N 2.9Å; K373-R376 PolarHBondContact O-NH1 3.23Å; W374-R376 VanDerWaalsContact C-N 3.34Å; R376-L378 VanDerWaalsContact C-N 3.26Å; R376-R379 PolarHBondContact O-NH1 3.49Å; R376-Y438 HydrophobicContact CG-CD1 4.36Å; R376-Y438 HydrophobicContact CG-CE1 3.87Å; R376-Y438 VanDerWaalsContact CZ-CE1 3.46Å; R376-E441 IonicContact CZ-OE1 3.75Å; R376-E441 IonicContact CZ-OE2 2.62Å; R376-E441 VanDerWaalsContact CZ-OE2 3.28Å; R376-E441 IonicContact NH1-OE1 3.94Å; R376-E441 PolarHBondContact NH1-OE1 2.93Å; R376-E441 IonicContact NH1-OE2 3.93Å; R376-E441 PolarHBondContact NH1-OE2 3.14Å; R376-E441 IonicContact NH2-OE1 2.71Å; R376-E441 IonicContact NH2-OE2 3.37Å; R376-E441 PolarHBondContact NH2-OE2 2.89Å
377	F	91	Very high	89.7	Confident	7 Å²	7	29 Å²	29	3%	0.031	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-17.3	175.2	63.8	-91.1	0	0	0	113	V336 P337 W374 L375 F413 F431 Y435 Y438	V336-F377 HydrophobicContact CG1-CD2 4.34Å; V336-F377 HydrophobicContact CG1-CE2 4.25Å; V336-F377 HydrophobicContact CG2-CE2 4.21Å; P337-F377 WeakPolarHBondContact CD-O 3.4Å; W374-F377 WeakPolarHBondContact O-CE1 3.18Å; L375-F377 HydrophobicContact CD2-CE1 3.77Å; L375-F377 HydrophobicContact CD2-CZ 3.77Å; L375-F377 PolarHBondContact O-N 2.76Å; F377-F413 HydrophobicContact CZ-CE1 4.39Å; F377-F431 HydrophobicContact CE2-CE2 4.19Å; F377-F431 HydrophobicContact CZ-CE2 4.5Å; F377-F431 HydrophobicContact CZ-CZ 4.41Å; F377-Y435 HydrophobicContact CB-CD1 3.92Å; F377-Y435 HydrophobicContact CB-CE1 3.72Å; F377-Y435 HydrophobicContact CD1-CD1 4.2Å; F377-Y435 AromaticContact CD2-CD1 3.58Å; F377-Y435 HydrophobicContact CD2-CD1 3.58Å; F377-Y435 AromaticContact CD2-CE1 3.7Å; F377-Y435 HydrophobicContact CD2-CE1 3.7Å; F377-Y435 HydrophobicContact CD2-CG 4.37Å; F377-Y435 HydrophobicContact CE2-CD1 4.11Å; F377-Y435 HydrophobicContact CE2-CG 4.49Å; F377-Y435 AromaticContact CG-CD1 3.64Å; F377-Y435 HydrophobicContact CG-CD1 3.64Å; F377-Y435 AromaticContact CG-CE1 3.85Å; F377-Y435 HydrophobicContact CG-CE1 3.85Å; F377-Y438 HydrophobicContact CB-CE1 4.28Å; F377-Y438 HydrophobicContact CB-CE2 4.4Å; F377-Y438 AromaticContact CD1-CD1 3.73Å; F377-Y438 HydrophobicContact CD1-CD1 3.73Å; F377-Y438 AromaticContact CD1-CD2 3.98Å; F377-Y438 HydrophobicContact CD1-CD2 3.98Å; F377-Y438 HydrophobicContact CD1-CE1 4.2Å; F377-Y438 HydrophobicContact CD1-CE2 4.46Å; F377-Y438 AromaticContact CD1-CG 3.58Å; F377-Y438 HydrophobicContact CD1-CG 3.58Å; F377-Y438 HydrophobicContact CE1-CD1 4.46Å; F377-Y438 HydrophobicContact CE1-CG 4.03Å
378	L	93.5	Very high	89.3	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.155	C	C	.	.			trans	-68	145.8	177.3	-62.8	-179.1	0	0	0	111.5	L334 V336 L371 L375 R376 F413	L334-L378 HydrophobicContact CD1-CD1 3.97Å; V336-L378 HydrophobicContact CG2-CD2 3.67Å; L371-L378 HydrophobicContact CD1-CB 3.89Å; L371-L378 HydrophobicContact CD1-CD1 3.92Å; L371-L378 HydrophobicContact CD1-CG 4.43Å; L375-L378 HydrophobicContact CB-CD1 4.15Å; L375-L378 HydrophobicContact CD1-CD1 4.33Å; L375-L378 HydrophobicContact CD2-CD1 4.16Å; L375-L378 HydrophobicContact CG-CD1 4.46Å; L375-L378 WeakPolarHBondContact O-CB 3.43Å; L375-L378 WeakPolarHBondContact O-CG 3.4Å; L375-L378 PolarHBondContact O-N 3.02Å; R376-L378 VanDerWaalsContact C-N 3.26Å; L378-F413 HydrophobicContact CD1-CD1 4.04Å; L378-F413 HydrophobicContact CD1-CD2 4.21Å; L378-F413 HydrophobicContact CD1-CE1 3.87Å; L378-F413 HydrophobicContact CD1-CE2 4.06Å; L378-F413 HydrophobicContact CD1-CG 4.21Å; L378-F413 HydrophobicContact CD1-CZ 3.91Å; L378-F413 HydrophobicContact CD2-CE1 4.13Å; L378-F413 HydrophobicContact CD2-CE2 3.93Å; L378-F413 HydrophobicContact CD2-CZ 3.54Å; L378-F413 HydrophobicContact CG-CE1 4.49Å; L378-F413 HydrophobicContact CG-CZ 4.32Å
379	R	91.9	Very high	88.7	Confident	58 Å²	58	25.2 Å²	25.2	22%	0.219	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.2	176.3	-62.1	-66.2	179.2	-103.4	2.5	108.8	Y305 L334 Y335 P337 N352 R376	Y305-R379 HydrophobicContact CE2-CB 4.28Å; L334-R379 CarbonylContact C-O 3.56Å; L334-R379 WeakPolarHBondContact CA-O 3.49Å; Y335-R379 PolarHBondContact N-O 3.38Å; Y335-R379 PolarHBondContact O-N 3.17Å; Y335-R379 VanDerWaalsContact O-N 3.1Å; P337-R379 HydrophobicContact CG-CG 4.28Å; N352-R379 PolarHBondContact OD1-NH2 3.3Å; R376-R379 PolarHBondContact O-NH1 3.49Å
380	G	93.3	Very high	88.2	Confident	6 Å²	6	22.9 Å²	22.9	6%	0.062	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.9	-160	-177.3	0	0	0	0	0	115.2	L333 V354 A355	L333-G380 CarbonylContact O-C 3.54Å; L333-G380 WeakPolarHBondContact O-CA 3.31Å; V354-G380 WeakPolarHBondContact CG1-O 3.41Å; A355-G380 PolarHBondContact N-O 3.02Å
381	V	93.6	Very high	87.5	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.6	-179	174	0	0	0	0	110.3	W289 F304 L308 L333 A355 Y357	W289-V381 HydrophobicContact CD2-CB 4.39Å; W289-V381 HydrophobicContact CD2-CG1 3.77Å; W289-V381 HydrophobicContact CE3-CB 4.14Å; W289-V381 HydrophobicContact CE3-CG1 3.91Å; W289-V381 HydrophobicContact CE3-CG2 4.21Å; W289-V381 HydrophobicContact CG-CG1 4.22Å; W289-V381 HydrophobicContact CH2-CG1 4.31Å; W289-V381 HydrophobicContact CZ2-CG1 4.22Å; W289-V381 HydrophobicContact CZ3-CG1 4.19Å; W289-V381 HydrophobicContact CZ3-CG2 4.15Å; F304-V381 HydrophobicContact CE1-CG2 4.33Å; F304-V381 HydrophobicContact CZ-CG2 3.92Å; L308-V381 HydrophobicContact CD1-CG2 4.25Å; L308-V381 HydrophobicContact CD2-CG2 3.89Å; L333-V381 PolarHBondContact N-O 3.2Å; L333-V381 PolarHBondContact O-N 2.73Å; A355-V381 HydrophobicContact CB-CG2 4.34Å; A355-V381 WeakPolarHBondContact O-CA 3.44Å; Y357-V381 HydrophobicContact CD2-CB 4.47Å; Y357-V381 HydrophobicContact CD2-CG1 3.45Å; Y357-V381 VanDerWaalsContact CD2-CG1 3.45Å; Y357-V381 HydrophobicContact CD2-CG2 4.32Å; Y357-V381 HydrophobicContact CE2-CG1 3.94Å; Y357-V381 HydrophobicContact CE2-CG2 3.95Å; Y357-V381 HydrophobicContact CG-CG1 4.14Å
382	V	93.9	Very high	86.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.5	164.6	170.5	0	0	0	0	107.4	L330 V332 V354 A355 L356 Y357 L370 I409	L330-V382 HydrophobicContact CD1-CG1 3.67Å; V332-V382 HydrophobicContact CG1-CG2 4.1Å; V332-V382 HydrophobicContact CG2-CG2 4.24Å; V354-V382 HydrophobicContact CG1-CB 4.28Å; V354-V382 HydrophobicContact CG1-CG2 3.73Å; A355-V382 PolarHBondContact O-N 2.86Å; L356-V382 WeakPolarHBondContact CA-O 3.45Å; L356-V382 HydrophobicContact CD1-CB 4.42Å; L356-V382 HydrophobicContact CD1-CG1 4.12Å; L356-V382 WeakPolarHBondContact CD1-O 3.41Å; Y357-V382 PolarHBondContact N-O 3.03Å; L370-V382 HydrophobicContact CD1-CB 3.77Å; L370-V382 HydrophobicContact CD1-CG1 4.08Å; L370-V382 HydrophobicContact CD1-CG2 4.1Å; V382-I409 HydrophobicContact CG1-CD1 4.33Å; V382-I409 HydrophobicContact CG2-CD1 3.76Å
383	D	92	Very high	85.6	Confident	10 Å²	10	25.8 Å²	25.8	5%	0.053	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.2	175.5	-167.4	-14.8	0	0	0	108.8	W289 R331 Y357 S358 R359 K360	W289-D383 PolarHBondContact NE1-OD2 2.92Å; R331-D383 HydrophobicContact CB-CB 4.29Å; R331-D383 PolarHBondContact N-O 3.45Å; R331-D383 PolarHBondContact O-N 3.4Å; Y357-D383 WeakPolarHBondContact O-CA 2.97Å; S358-D383 VanDerWaalsContact CA-OD1 3.31Å; S358-D383 WeakPolarHBondContact CA-OD1 3.27Å; R359-D383 PolarHBondContact N-OD1 3.18Å; K360-D383 PolarHBondContact N-OD2 3.14Å
384	S	89.9	Confident	84.7	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.			trans	-145.1	131	177.5	-174.8	0	0	0	0	110.7	N329 Y357 S358 D386	N329-S384 WeakPolarHBondContact O-CA 3.09Å; N329-S384 WeakPolarHBondContact O-CB 3.45Å; N329-S384 PolarHBondContact O-OG 3.31Å; Y357-S384 PolarHBondContact O-N 3.2Å; S358-S384 PolarHBondContact OG-O 2.7Å; S384-D386 VanDerWaalsContact C-N 3.35Å; S384-D386 PolarHBondContact OG-N 2.6Å
385	E	83.9	Confident	83.6	Confident	78 Å²	78	28.1 Å²	28.1	36%	0.364	14%	0.143	S	C	.	.	S	Bend	trans	-81.1	-18.7	175.1	-63.6	-175.8	-157.8	0	0	112.8	R359	R359-E385 HydrophobicContact CG-CG 4.22Å
386	D	83.6	Confident	82.7	Confident	76 Å²	76	29.7 Å²	29.7	41%	0.406	15%	0.151	S	C	.	.	S	Bend	trans	-86.3	-11.2	-175.8	-65.9	-24.3	0	0	0	113.2	I328 N329 S384 P388 L401	I328-D386 WeakPolarHBondContact CA-OD2 3.5Å; I328-D386 HydrophobicContact CG2-CB 4.11Å; I328-D386 WeakPolarHBondContact CG2-OD2 3.46Å; N329-D386 PolarHBondContact N-OD2 3.43Å; S384-D386 VanDerWaalsContact C-N 3.35Å; S384-D386 PolarHBondContact OG-N 2.6Å; D386-P388 WeakPolarHBondContact O-CD 3.4Å; D386-L401 HydrophobicContact CB-CD1 4.2Å; D386-L401 WeakPolarHBondContact O-CD1 3.44Å
387	I	80.9	Confident	81.7	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.041	17%	0.174	C	C	.	.	S	Bend	trans	-71.7	115.2	179.7	-66.8	172.2	0	0	0	109	L356 L389 L396 L401 I402 I405	L356-I387 HydrophobicContact CD1-CD1 3.46Å; L356-I387 VanDerWaalsContact CD1-CD1 3.46Å; L356-I387 HydrophobicContact CD2-CD1 4.1Å; L356-I387 HydrophobicContact CG-CD1 4.33Å; I387-L389 PolarHBondContact O-N 2.99Å; I387-L396 HydrophobicContact CG2-CD2 3.77Å; I387-L401 HydrophobicContact CB-CD2 4.5Å; I387-L401 HydrophobicContact CG1-CD2 3.64Å; I387-I402 HydrophobicContact CD1-CD1 4.12Å; I387-I402 HydrophobicContact CG1-CD1 4.32Å; I387-I405 HydrophobicContact CD1-CD1 3.88Å; I387-I405 HydrophobicContact CG1-CD1 3.87Å
388	P	73.6	Confident	80.8	Confident	51 Å²	51	36.8 Å²	36.8	33%	0.331	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-68.4	124.2	175.9	28.1	-32.2	0	0	0	109.5	D386 D398	D386-P388 WeakPolarHBondContact O-CD 3.4Å; P388-D398 HydrophobicContact CG-CB 3.74Å
389	L	72	Confident	80.2	Confident	23 Å²	23	41.8 Å²	41.8	12%	0.12	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-86.2	138	176.9	-58	178.7	0	0	0	109.9	I363 I387 R393	I363-L389 HydrophobicContact CB-CD2 4.38Å; I363-L389 HydrophobicContact CD1-CD1 3.72Å; I363-L389 HydrophobicContact CD1-CD2 3.64Å; I363-L389 HydrophobicContact CD1-CG 4.36Å; I363-L389 HydrophobicContact CG1-CD2 3.76Å; I363-L389 HydrophobicContact CG2-CD2 3.7Å; I387-L389 PolarHBondContact O-N 2.99Å; L389-R393 HydrophobicContact CB-CG 4.26Å; L389-R393 HydrophobicContact CD1-CB 4.44Å; L389-R393 HydrophobicContact CD1-CG 4.16Å
390	N	76.1	Confident	80	Confident	17 Å²	17	41.8 Å²	41.8	9%	0.091	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-69	170.7	166.5	76	-33	0	0	0	111.2	S392 R393 E394 L395 Q397	N390-S392 PolarHBondContact ND2-OG 3Å; N390-S392 PolarHBondContact O-N 2.9Å; N390-R393 PolarHBondContact O-N 3.42Å; N390-R393 WeakPolarHBondContact OD1-CA 3.29Å; N390-R393 PolarHBondContact OD1-N 3.37Å; N390-E394 PolarHBondContact OD1-N 3.1Å; N390-L395 HydrophobicContact CB-CB 4.41Å; N390-L395 WeakPolarHBondContact ND2-CB 3.15Å; N390-L395 PolarHBondContact OD1-N 2.92Å; N390-L395 PolarHBondContact OD1-O 2.86Å; N390-Q397 HydrophobicContact CB-CG 3.82Å
391	L	75	Confident	79.7	Confident	72 Å²	72	42.7 Å²	42.7	38%	0.377	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-31.5	-177.9	-168.9	65.1	0	0	0	112.9	L85 F187 V189	L85-L391 HydrophobicContact CD1-CB 3.95Å; L85-L391 HydrophobicContact CD1-CD2 3.58Å; L85-L391 HydrophobicContact CD1-CG 3.74Å; L85-L391 HydrophobicContact CD2-CD2 4.15Å; L85-L391 HydrophobicContact CD2-CG 4.08Å; F187-L391 HydrophobicContact CB-CD1 3.65Å; F187-L391 HydrophobicContact CD1-CD1 3.76Å; F187-L391 HydrophobicContact CD2-CD1 4.02Å; F187-L391 HydrophobicContact CE1-CD1 4.42Å; F187-L391 HydrophobicContact CG-CD1 3.55Å; V189-L391 HydrophobicContact CG2-CD1 3.66Å; V189-L391 HydrophobicContact CG2-CG 4.1Å
392	S	72.4	Confident	79.5	Confident	5 Å²	5	43.1 Å²	43.1	4%	0.035	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-10.5	175.1	80.5	0	0	0	0	114.1	L85 R94 N390 E394	L85-S392 WeakPolarHBondContact O-CB 3.5Å; R94-S392 PolarHBondContact NH2-O 3.31Å; N390-S392 PolarHBondContact ND2-OG 3Å; N390-S392 PolarHBondContact O-N 2.9Å; S392-E394 VanDerWaalsContact C-N 3.28Å; S392-E394 WeakPolarHBondContact CB-OE2 3.38Å; S392-E394 PolarHBondContact O-N 3.4Å; S392-E394 PolarHBondContact OG-OE2 2.98Å
393	R	72	Confident	79.3	Confident	12 Å²	12	51.9 Å²	51.9	5%	0.045	26%	0.261	C	S	.	.	S	Bend	trans	51.5	39.5	-170.9	-47.3	174.1	-178.8	-118.9	2.3	114.2	R94 I184 F187 I363 L389 N390	R94-R393 PolarHBondContact NH1-O 3.47Å; I184-R393 PolarHBondContact O-NH1 3.15Å; I184-R393 PolarHBondContact O-NH2 2.7Å; F187-R393 HydrophobicContact CE2-CG 4.48Å; I363-R393 WeakPolarHBondContact CG2-O 3.28Å; L389-R393 HydrophobicContact CB-CG 4.26Å; L389-R393 HydrophobicContact CD1-CB 4.44Å; L389-R393 HydrophobicContact CD1-CG 4.16Å; N390-R393 PolarHBondContact O-N 3.42Å; N390-R393 WeakPolarHBondContact OD1-CA 3.29Å; N390-R393 PolarHBondContact OD1-N 3.37Å
394	E	72.6	Confident	79.2	Confident	30 Å²	30	59.4 Å²	59.4	14%	0.14	29%	0.289	C	S	.	.	S	Bend	trans	-126.1	-20.7	179.2	-65.8	163.7	155.2	0	0	112.8	S87 V91 N390 S392	S87-E394 PolarHBondContact OG-OE2 3.28Å; V91-E394 WeakPolarHBondContact CG2-OE1 3.28Å; N390-E394 PolarHBondContact OD1-N 3.1Å; S392-E394 VanDerWaalsContact C-N 3.28Å; S392-E394 WeakPolarHBondContact CB-OE2 3.38Å; S392-E394 PolarHBondContact O-N 3.4Å; S392-E394 PolarHBondContact OG-OE2 2.98Å
395	L	70.1	Confident	79.4	Confident	112 Å²	112	59.4 Å²	59.4	59%	0.586	29%	0.289	S	S	*	.	S	Bend	trans	-115.3	139.4	-178	-60	171.3	0	0	0	110.9	N390	N390-L395 HydrophobicContact CB-CB 4.41Å; N390-L395 WeakPolarHBondContact ND2-CB 3.15Å; N390-L395 PolarHBondContact OD1-N 2.92Å; N390-L395 PolarHBondContact OD1-O 2.86Å
396	L	74.5	Confident	79.8	Confident	34 Å²	34	57.1 Å²	57.1	18%	0.178	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-80.7	125.8	173.1	-56.6	170.6	0	0	0	108.9	L356 M364 V369 I387 I402	L356-L396 HydrophobicContact CD2-CD1 4.38Å; L356-L396 HydrophobicContact CD2-CD2 3.37Å; L356-L396 HydrophobicContact CD2-CG 4.41Å; M364-L396 HydrophobicContact SD-CD1 4.04Å; M364-L396 HydrophobicContact SD-CD2 4.44Å; M364-L396 HydrophobicContact SD-CG 3.97Å; V369-L396 HydrophobicContact CG2-CD1 3.5Å; V369-L396 VanDerWaalsContact CG2-CD1 3.5Å; I387-L396 HydrophobicContact CG2-CD2 3.77Å; L396-I402 HydrophobicContact CB-CG1 4.31Å; L396-I402 HydrophobicContact CD1-CD1 3.92Å; L396-I402 HydrophobicContact CD1-CG1 4.13Å; L396-I402 HydrophobicContact CD2-CD1 4.12Å; L396-I402 HydrophobicContact CG-CD1 4.42Å
397	Q	69.9	Low	80.3	Confident	123 Å²	123	59.1 Å²	59.1	58%	0.575	28%	0.281	S	S	*	.			trans	-92.2	-38.2	-178.1	-65	-171.9	-32.1	0	0	112.9	N390 N399	N390-Q397 HydrophobicContact CB-CG 3.82Å; Q397-N399 PolarHBondContact O-N 2.86Å
398	D	73.1	Confident	80.9	Confident	56 Å²	56	60.4 Å²	60.4	30%	0.299	29%	0.288	S	S	.	.			trans	-98	90.4	-174.3	-169.7	-13.6	0	0	0	112.3	P388 S400 L401 I402	P388-D398 HydrophobicContact CG-CB 3.74Å; D398-S400 PolarHBondContact O-N 2.91Å; D398-S400 VanDerWaalsContact O-N 3.15Å; D398-S400 WeakPolarHBondContact OD1-CA 3.27Å; D398-S400 VanDerWaalsContact OD1-CB 3.29Å; D398-S400 WeakPolarHBondContact OD1-CB 3.43Å; D398-S400 PolarHBondContact OD1-N 3.1Å; D398-S400 PolarHBondContact OD1-OG 3.49Å; D398-L401 HydrophobicContact CB-CB 4.08Å; D398-L401 PolarHBondContact O-N 3.06Å; D398-L401 PolarHBondContact OD1-N 3.25Å; D398-L401 VanDerWaalsContact OD1-N 3.08Å; D398-L401 WeakPolarHBondContact OD2-CB 3.4Å; D398-I402 WeakPolarHBondContact O-CG1 3.33Å; D398-I402 PolarHBondContact O-N 3.47Å
399	N	80.1	Confident	81.9	Confident	107 Å²	107	58 Å²	58	57%	0.572	27%	0.272	S	S	*	.	H	α-helix	trans	-60.7	-20.2	175	-74.1	-30.9	0	0	0	113.7	Q397 R403	Q397-N399 PolarHBondContact O-N 2.86Å; N399-R403 VanDerWaalsContact O-CG 3.27Å; N399-R403 WeakPolarHBondContact O-CG 3.46Å; N399-R403 PolarHBondContact O-N 3Å; N399-R403 PolarHBondContact O-NE 3.04Å
400	S	86.9	Confident	83	Confident	58 Å²	58	57 Å²	57	41%	0.406	27%	0.267	S	S	.	.	H	α-helix	trans	-81.7	-43.6	-179.7	80.6	0	0	0	0	111.6	D398 R403 R404	D398-S400 PolarHBondContact O-N 2.91Å; D398-S400 VanDerWaalsContact O-N 3.15Å; D398-S400 WeakPolarHBondContact OD1-CA 3.27Å; D398-S400 VanDerWaalsContact OD1-CB 3.29Å; D398-S400 WeakPolarHBondContact OD1-CB 3.43Å; D398-S400 PolarHBondContact OD1-N 3.1Å; D398-S400 PolarHBondContact OD1-OG 3.49Å; S400-R403 PolarHBondContact O-N 3.19Å; S400-R404 WeakPolarHBondContact O-CG 3.34Å; S400-R404 PolarHBondContact O-N 3.29Å; S400-R404 VanDerWaalsContact O-N 3.1Å
401	L	88.3	Confident	83.9	Confident	25 Å²	25	59.3 Å²	59.3	13%	0.131	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-42.4	175.6	-178.3	148.2	0	0	0	110.9	D386 I387 D398 R403 R404 I405	D386-L401 HydrophobicContact CB-CD1 4.2Å; D386-L401 WeakPolarHBondContact O-CD1 3.44Å; I387-L401 HydrophobicContact CB-CD2 4.5Å; I387-L401 HydrophobicContact CG1-CD2 3.64Å; D398-L401 HydrophobicContact CB-CB 4.08Å; D398-L401 PolarHBondContact O-N 3.06Å; D398-L401 PolarHBondContact OD1-N 3.25Å; D398-L401 VanDerWaalsContact OD1-N 3.08Å; D398-L401 WeakPolarHBondContact OD2-CB 3.4Å; L401-R403 PolarHBondContact O-N 3.47Å; L401-R404 WeakPolarHBondContact O-CB 3.38Å; L401-R404 PolarHBondContact O-N 3.05Å; L401-R404 VanDerWaalsContact O-N 3.1Å; L401-I405 HydrophobicContact CD2-CD1 3.44Å; L401-I405 VanDerWaalsContact CD2-CD1 3.44Å; L401-I405 HydrophobicContact CD2-CG1 4.1Å; L401-I405 HydrophobicContact CG-CD1 4.46Å; L401-I405 PolarHBondContact O-N 3.47Å
402	I	88.7	Confident	84.9	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-60.9	-42.8	176.3	-64	-61	0	0	0	111.7	V369 L370 I387 L396 D398 R404 I405 N406	V369-I402 HydrophobicContact CB-CG2 3.95Å; V369-I402 HydrophobicContact CG2-CG2 3.72Å; L370-I402 HydrophobicContact CD2-CD1 4.15Å; I387-I402 HydrophobicContact CD1-CD1 4.12Å; I387-I402 HydrophobicContact CG1-CD1 4.32Å; L396-I402 HydrophobicContact CB-CG1 4.31Å; L396-I402 HydrophobicContact CD1-CD1 3.92Å; L396-I402 HydrophobicContact CD1-CG1 4.13Å; L396-I402 HydrophobicContact CD2-CD1 4.12Å; L396-I402 HydrophobicContact CG-CD1 4.42Å; D398-I402 WeakPolarHBondContact O-CG1 3.33Å; D398-I402 PolarHBondContact O-N 3.47Å; I402-R404 VanDerWaalsContact C-N 3.3Å; I402-R404 PolarHBondContact O-N 3.43Å; I402-I405 PolarHBondContact O-N 3.23Å; I402-N406 VanDerWaalsContact O-CB 3.28Å; I402-N406 WeakPolarHBondContact O-CB 3.4Å; I402-N406 PolarHBondContact O-N 3.34Å
403	R	89.2	Confident	86.1	Confident	184 Å²	184	60.5 Å²	60.5	69%	0.694	28%	0.28	S	S	*	.	H	α-helix	trans	-61.5	-37.2	174.1	-77.2	-177.6	-127.1	-168.6	-2.5	112.5	N399 S400 L401 R407	N399-R403 VanDerWaalsContact O-CG 3.27Å; N399-R403 WeakPolarHBondContact O-CG 3.46Å; N399-R403 PolarHBondContact O-N 3Å; N399-R403 PolarHBondContact O-NE 3.04Å; S400-R403 PolarHBondContact O-N 3.19Å; L401-R403 PolarHBondContact O-N 3.47Å; R403-R407 WeakPolarHBondContact O-CB 3.18Å; R403-R407 PolarHBondContact O-N 2.87Å
404	R	91.4	Very high	87.3	Confident	169 Å²	169	60 Å²	60	64%	0.638	28%	0.279	S	S	*	.	H	α-helix	trans	-67.4	-44.8	175.7	-68.5	174.3	-169.8	-173.6	4.2	111.7	I328 S400 L401 I402 R407 L408	I328-R404 HydrophobicContact CD1-CB 3.93Å; S400-R404 WeakPolarHBondContact O-CG 3.34Å; S400-R404 PolarHBondContact O-N 3.29Å; S400-R404 VanDerWaalsContact O-N 3.1Å; L401-R404 WeakPolarHBondContact O-CB 3.38Å; L401-R404 PolarHBondContact O-N 3.05Å; L401-R404 VanDerWaalsContact O-N 3.1Å; I402-R404 VanDerWaalsContact C-N 3.3Å; I402-R404 PolarHBondContact O-N 3.43Å; R404-R407 PolarHBondContact O-N 3.45Å; R404-L408 VanDerWaalsContact O-CB 3.27Å; R404-L408 WeakPolarHBondContact O-CB 3.35Å; R404-L408 PolarHBondContact O-N 2.76Å
405	I	92.7	Very high	88.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-49.2	174.4	-70.3	179.9	0	0	0	109.9	I328 L330 L370 I387 L401 I402 R407 L408 I409	I328-I405 HydrophobicContact CD1-CG1 3.94Å; I328-I405 HydrophobicContact CG2-CD1 4.22Å; I328-I405 HydrophobicContact CG2-CG1 4.16Å; L330-I405 HydrophobicContact CD1-CD1 4.08Å; L330-I405 HydrophobicContact CD1-CG1 4.34Å; L330-I405 HydrophobicContact CD1-CG2 3.95Å; L330-I405 HydrophobicContact CD2-CG2 4.21Å; L370-I405 HydrophobicContact CD2-CG2 4.28Å; I387-I405 HydrophobicContact CD1-CD1 3.88Å; I387-I405 HydrophobicContact CG1-CD1 3.87Å; L401-I405 HydrophobicContact CD2-CD1 3.44Å; L401-I405 VanDerWaalsContact CD2-CD1 3.44Å; L401-I405 HydrophobicContact CD2-CG1 4.1Å; L401-I405 HydrophobicContact CG-CD1 4.46Å; L401-I405 PolarHBondContact O-N 3.47Å; I402-I405 PolarHBondContact O-N 3.23Å; I405-R407 PolarHBondContact O-N 2.97Å; I405-L408 PolarHBondContact O-N 2.62Å; I405-I409 HydrophobicContact CG2-CD1 3.58Å; I405-I409 HydrophobicContact CG2-CG1 4.22Å; I405-I409 VanDerWaalsContact O-CG1 3.32Å; I405-I409 WeakPolarHBondContact O-CG1 3.48Å; I405-I409 PolarHBondContact O-N 2.93Å
406	N	93.4	Very high	89.7	Confident	30 Å²	30	59.5 Å²	59.5	16%	0.16	27%	0.271	C	S	.	.	H	α-helix	trans	-55.3	-53.6	178.3	179.7	-56.5	0	0	0	111.7	V369 L370 L371 I402 L408 I409 T410	V369-N406 PolarHBondContact O-ND2 3.47Å; L370-N406 WeakPolarHBondContact O-CA 3.35Å; L371-N406 WeakPolarHBondContact CA-ND2 3.19Å; L371-N406 PolarHBondContact N-ND2 3.48Å; L371-N406 PolarHBondContact O-ND2 2.98Å; I402-N406 VanDerWaalsContact O-CB 3.28Å; I402-N406 WeakPolarHBondContact O-CB 3.4Å; I402-N406 PolarHBondContact O-N 3.34Å; N406-L408 VanDerWaalsContact C-N 3.32Å; N406-L408 PolarHBondContact O-N 3.08Å; N406-I409 PolarHBondContact O-N 3.21Å; N406-T410 WeakPolarHBondContact O-CB 3.49Å; N406-T410 PolarHBondContact O-N 3.36Å; N406-T410 PolarHBondContact O-OG1 2.83Å
407	R	92.9	Very high	90.8	Very high	118 Å²	118	57.9 Å²	57.9	45%	0.445	26%	0.263	S	S	.	.	H	α-helix	trans	-59	-43	177.5	-174.6	175.3	179	130.9	3.4	111.9	R403 R404 I405 T410 V411 D448 E450 I451	R403-R407 WeakPolarHBondContact O-CB 3.18Å; R403-R407 PolarHBondContact O-N 2.87Å; R404-R407 PolarHBondContact O-N 3.45Å; I405-R407 PolarHBondContact O-N 2.97Å; R407-T410 PolarHBondContact O-N 3.35Å; R407-V411 WeakPolarHBondContact O-CG2 3.49Å; R407-V411 PolarHBondContact O-N 3.38Å; R407-D448 IonicContact CZ-OD2 3.32Å; R407-D448 IonicContact NH1-OD2 3.3Å; R407-D448 PolarHBondContact NH1-OD2 3.44Å; R407-D448 IonicContact NH2-OD2 2.99Å; R407-D448 PolarHBondContact NH2-OD2 3.29Å; R407-E450 IonicContact NH2-OE2 2.86Å; R407-I451 HydrophobicContact CG-CD1 4.37Å
408	L	94.1	Very high	92	Very high	35 Å²	35	54.8 Å²	54.8	18%	0.183	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-48.1	-180	179.5	62	0	0	0	111.8	Y322 T324 L330 R404 I405 N406 R412	Y322-L408 HydrophobicContact CE1-CD2 4.18Å; Y322-L408 HydrophobicContact CE1-CG 4.2Å; T324-L408 HydrophobicContact CG2-CD2 4.3Å; L330-L408 HydrophobicContact CD2-CD2 4.27Å; R404-L408 VanDerWaalsContact O-CB 3.27Å; R404-L408 WeakPolarHBondContact O-CB 3.35Å; R404-L408 PolarHBondContact O-N 2.76Å; I405-L408 PolarHBondContact O-N 2.62Å; N406-L408 VanDerWaalsContact C-N 3.32Å; N406-L408 PolarHBondContact O-N 3.08Å; L408-R412 HydrophobicContact CD1-CG 4.25Å; L408-R412 WeakPolarHBondContact O-CB 3.47Å; L408-R412 WeakPolarHBondContact O-CG 3.43Å; L408-R412 PolarHBondContact O-N 3.37Å; L408-R412 VanDerWaalsContact O-N 3.1Å
409	I	95.1	Very high	93.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-45.8	178.6	-63.7	172.3	0	0	0	109.9	L330 V332 L334 L371 V382 I405 N406 V411 R412 F413	L330-I409 HydrophobicContact CD2-CD1 4.17Å; L330-I409 HydrophobicContact CD2-CG1 3.87Å; V332-I409 HydrophobicContact CG1-CG2 4.47Å; V332-I409 HydrophobicContact CG2-CD1 4.04Å; V332-I409 HydrophobicContact CG2-CG1 4.11Å; L334-I409 HydrophobicContact CD1-CG2 3.88Å; L371-I409 HydrophobicContact CD2-CB 4.2Å; L371-I409 HydrophobicContact CD2-CG2 3.5Å; V382-I409 HydrophobicContact CG1-CD1 4.33Å; V382-I409 HydrophobicContact CG2-CD1 3.76Å; I405-I409 HydrophobicContact CG2-CD1 3.58Å; I405-I409 HydrophobicContact CG2-CG1 4.22Å; I405-I409 VanDerWaalsContact O-CG1 3.32Å; I405-I409 WeakPolarHBondContact O-CG1 3.48Å; I405-I409 PolarHBondContact O-N 2.93Å; N406-I409 PolarHBondContact O-N 3.21Å; I409-V411 PolarHBondContact O-N 3.1Å; I409-R412 PolarHBondContact O-N 3.15Å; I409-F413 VanDerWaalsContact O-CB 3.29Å; I409-F413 WeakPolarHBondContact O-CB 3.03Å; I409-F413 PolarHBondContact O-N 3.43Å
410	T	95.6	Very high	93.8	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-56.6	-51.7	179.7	-61	0	0	0	0	112.2	P372 W374 L375 N406 R407 R412 F413 L414 I451	P372-T410 WeakPolarHBondContact CD-OG1 3.42Å; P372-T410 HydrophobicContact CG-CG2 4.1Å; P372-T410 WeakPolarHBondContact CG-OG1 3.38Å; W374-T410 HydrophobicContact CH2-CG2 4.22Å; W374-T410 HydrophobicContact CZ2-CG2 3.63Å; L375-T410 HydrophobicContact CD1-CG2 4.29Å; N406-T410 WeakPolarHBondContact O-CB 3.49Å; N406-T410 PolarHBondContact O-N 3.36Å; N406-T410 PolarHBondContact O-OG1 2.83Å; R407-T410 PolarHBondContact O-N 3.35Å; T410-R412 VanDerWaalsContact C-N 3.34Å; T410-R412 PolarHBondContact O-N 3.39Å; T410-F413 PolarHBondContact O-N 3.37Å; T410-L414 HydrophobicContact CG2-CD1 4.2Å; T410-L414 WeakPolarHBondContact O-CG 3.36Å; T410-L414 PolarHBondContact O-N 3.32Å; T410-I451 HydrophobicContact CG2-CG2 4.36Å
411	V	94.7	Very high	94.2	Very high	67 Å²	67	49 Å²	49	41%	0.406	22%	0.217	S	C	.	.	H	α-helix	trans	-62.6	-41	179.1	172	0	0	0	0	111.4	R407 I409 K415	R407-V411 WeakPolarHBondContact O-CG2 3.49Å; R407-V411 PolarHBondContact O-N 3.38Å; I409-V411 PolarHBondContact O-N 3.1Å; V411-K415 PolarHBondContact O-N 2.92Å
412	R	95.6	Very high	94.4	Very high	100 Å²	100	52.2 Å²	52.2	38%	0.377	24%	0.242	S	C	.	.	H	α-helix	trans	-67.8	-37.3	178.4	-68.5	-67.9	-172.4	-171.1	-1.2	112.2	F320 Y322 L408 I409 T410 K415 F416	F320-R412 HydrophobicContact CE2-CB 4.44Å; F320-R412 HydrophobicContact CZ-CB 3.84Å; Y322-R412 HydrophobicContact CD1-CG 4.47Å; Y322-R412 HydrophobicContact CD2-CG 4.22Å; Y322-R412 HydrophobicContact CE1-CG 4.1Å; Y322-R412 HydrophobicContact CE2-CG 3.83Å; Y322-R412 PolarHBondContact OH-NE 3.1Å; L408-R412 HydrophobicContact CD1-CG 4.25Å; L408-R412 WeakPolarHBondContact O-CB 3.47Å; L408-R412 WeakPolarHBondContact O-CG 3.43Å; L408-R412 PolarHBondContact O-N 3.37Å; L408-R412 VanDerWaalsContact O-N 3.1Å; I409-R412 PolarHBondContact O-N 3.15Å; T410-R412 VanDerWaalsContact C-N 3.34Å; T410-R412 PolarHBondContact O-N 3.39Å; R412-K415 PolarHBondContact O-N 2.84Å; R412-F416 PolarHBondContact O-N 3.36Å
413	F	96.9	Very high	94.7	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-69.6	-42.1	177.3	-174.1	-106	0	0	0	111.9	F320 V336 L375 F377 L378 I409 T410 K415 F416 L417	F320-F413 HydrophobicContact CB-CD2 4.05Å; F320-F413 HydrophobicContact CB-CE2 4.1Å; F320-F413 AromaticContact CD1-CD2 3.95Å; F320-F413 HydrophobicContact CD1-CD2 3.95Å; F320-F413 HydrophobicContact CD2-CD2 4.11Å; F320-F413 HydrophobicContact CE1-CB 4.48Å; F320-F413 HydrophobicContact CE1-CD2 4.43Å; F320-F413 AromaticContact CG-CD2 3.76Å; F320-F413 HydrophobicContact CG-CD2 3.76Å; F320-F413 HydrophobicContact CG-CE2 4.32Å; F320-F413 HydrophobicContact CZ-CB 4.41Å; V336-F413 HydrophobicContact CG2-CE2 4.48Å; V336-F413 HydrophobicContact CG2-CZ 4.05Å; L375-F413 HydrophobicContact CD1-CD1 4.03Å; L375-F413 HydrophobicContact CD2-CD1 3.79Å; L375-F413 HydrophobicContact CD2-CE1 3.72Å; F377-F413 HydrophobicContact CZ-CE1 4.39Å; L378-F413 HydrophobicContact CD1-CD1 4.04Å; L378-F413 HydrophobicContact CD1-CD2 4.21Å; L378-F413 HydrophobicContact CD1-CE1 3.87Å; L378-F413 HydrophobicContact CD1-CE2 4.06Å; L378-F413 HydrophobicContact CD1-CG 4.21Å; L378-F413 HydrophobicContact CD1-CZ 3.91Å; L378-F413 HydrophobicContact CD2-CE1 4.13Å; L378-F413 HydrophobicContact CD2-CE2 3.93Å; L378-F413 HydrophobicContact CD2-CZ 3.54Å; L378-F413 HydrophobicContact CG-CE1 4.49Å; L378-F413 HydrophobicContact CG-CZ 4.32Å; I409-F413 VanDerWaalsContact O-CB 3.29Å; I409-F413 WeakPolarHBondContact O-CB 3.03Å; I409-F413 PolarHBondContact O-N 3.43Å; T410-F413 PolarHBondContact O-N 3.37Å; F413-K415 VanDerWaalsContact C-N 3.32Å; F413-K415 PolarHBondContact O-N 3.4Å; F413-F416 HydrophobicContact CD2-CD1 4.26Å; F413-F416 HydrophobicContact CE2-CD1 4.03Å; F413-F416 HydrophobicContact CE2-CE1 4.39Å; F413-F416 WeakPolarHBondContact O-CA 3.34Å; F413-F416 WeakPolarHBondContact O-CB 3.18Å; F413-F416 PolarHBondContact O-N 2.93Å; F413-F416 VanDerWaalsContact O-N 3.1Å; F413-L417 HydrophobicContact CD1-CD1 4.12Å; F413-L417 HydrophobicContact CD1-CG 4.38Å; F413-L417 HydrophobicContact CE1-CD1 3.61Å; F413-L417 HydrophobicContact CE1-CD2 4.33Å; F413-L417 HydrophobicContact CE1-CG 3.94Å; F413-L417 HydrophobicContact CZ-CD1 4.18Å; F413-L417 HydrophobicContact CZ-CD2 4.06Å; F413-L417 HydrophobicContact CZ-CG 4.1Å; F413-L417 PolarHBondContact O-N 2.86Å
414	L	97	Very high	94.9	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-59.4	-42.9	172.6	-73.2	173	0	0	0	111.8	W374 T410 F416 L417 S418 I451 E454 I455 L458	W374-L414 HydrophobicContact CH2-CD1 4.31Å; W374-L414 HydrophobicContact CH2-CD2 3.79Å; W374-L414 HydrophobicContact CH2-CG 4.16Å; W374-L414 HydrophobicContact CZ3-CD2 4.42Å; T410-L414 HydrophobicContact CG2-CD1 4.2Å; T410-L414 WeakPolarHBondContact O-CG 3.36Å; T410-L414 PolarHBondContact O-N 3.32Å; L414-F416 VanDerWaalsContact C-N 3.31Å; L414-F416 PolarHBondContact O-N 3.12Å; L414-L417 PolarHBondContact O-N 3.32Å; L414-S418 PolarHBondContact O-N 2.82Å; L414-I451 HydrophobicContact CD1-CG2 4.11Å; L414-E454 HydrophobicContact CD1-CB 3.97Å; L414-I455 HydrophobicContact CD1-CG1 3.9Å; L414-I455 HydrophobicContact CD2-CG1 3.87Å; L414-L458 HydrophobicContact CD2-CD1 3.49Å; L414-L458 VanDerWaalsContact CD2-CD1 3.49Å
415	K	96.1	Very high	94.9	Very high	107 Å²	107	51 Å²	51	47%	0.465	25%	0.249	S	C	.	.	H	α-helix	trans	-61	-39.2	173	-175.5	173.4	-177.1	170.8	0	112.5	V411 R412 F413 S418 Q419	V411-K415 PolarHBondContact O-N 2.92Å; R412-K415 PolarHBondContact O-N 2.84Å; F413-K415 VanDerWaalsContact C-N 3.32Å; F413-K415 PolarHBondContact O-N 3.4Å; K415-S418 PolarHBondContact O-N 3.06Å; K415-Q419 WeakPolarHBondContact O-CG 3.48Å; K415-Q419 PolarHBondContact O-N 3.21Å; K415-Q419 VanDerWaalsContact O-N 3.07Å
416	F	97	Very high	95	Very high	26 Å²	26	57.6 Å²	57.6	11%	0.114	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-47.4	174	165.2	-94.8	0	0	0	111.3	Y318 F320 R412 F413 L414 S418 Q419 Q420	Y318-F416 HydrophobicContact CD1-CE1 4.44Å; Y318-F416 HydrophobicContact CD1-CZ 4.16Å; Y318-F416 HydrophobicContact CG-CE1 4.21Å; Y318-F416 HydrophobicContact CG-CZ 4.28Å; F320-F416 HydrophobicContact CB-CD1 4.4Å; F320-F416 HydrophobicContact CB-CE1 4.43Å; F320-F416 HydrophobicContact CD2-CB 3.59Å; F320-F416 HydrophobicContact CD2-CD1 4.12Å; F320-F416 AromaticContact CD2-CD2 3.93Å; F320-F416 HydrophobicContact CD2-CD2 3.93Å; F320-F416 AromaticContact CD2-CG 3.62Å; F320-F416 HydrophobicContact CD2-CG 3.62Å; F320-F416 HydrophobicContact CE2-CB 3.78Å; F320-F416 HydrophobicContact CE2-CG 4.31Å; R412-F416 PolarHBondContact O-N 3.36Å; F413-F416 HydrophobicContact CD2-CD1 4.26Å; F413-F416 HydrophobicContact CE2-CD1 4.03Å; F413-F416 HydrophobicContact CE2-CE1 4.39Å; F413-F416 WeakPolarHBondContact O-CA 3.34Å; F413-F416 WeakPolarHBondContact O-CB 3.18Å; F413-F416 PolarHBondContact O-N 2.93Å; F413-F416 VanDerWaalsContact O-N 3.1Å; L414-F416 VanDerWaalsContact C-N 3.31Å; L414-F416 PolarHBondContact O-N 3.12Å; F416-S418 VanDerWaalsContact C-N 3.3Å; F416-S418 PolarHBondContact O-N 2.8Å; F416-Q419 WeakPolarHBondContact O-CB 3.44Å; F416-Q419 PolarHBondContact O-N 2.93Å; F416-Q419 VanDerWaalsContact O-N 3.11Å; F416-Q420 HydrophobicContact CD1-CG 4.27Å; F416-Q420 HydrophobicContact CD2-CG 4.44Å; F416-Q420 HydrophobicContact CE1-CG 3.8Å; F416-Q420 HydrophobicContact CE2-CG 4.02Å; F416-Q420 HydrophobicContact CZ-CG 3.66Å; F416-Q420 WeakPolarHBondContact O-CG 3.43Å; F416-Q420 PolarHBondContact O-N 3.3Å
417	L	97.2	Very high	95	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-40.5	176.5	-70.5	-179.1	0	0	0	112.1	F413 L414 Q419 Q420 A421 F428 F431 L439 L458	F413-L417 HydrophobicContact CD1-CD1 4.12Å; F413-L417 HydrophobicContact CD1-CG 4.38Å; F413-L417 HydrophobicContact CE1-CD1 3.61Å; F413-L417 HydrophobicContact CE1-CD2 4.33Å; F413-L417 HydrophobicContact CE1-CG 3.94Å; F413-L417 HydrophobicContact CZ-CD1 4.18Å; F413-L417 HydrophobicContact CZ-CD2 4.06Å; F413-L417 HydrophobicContact CZ-CG 4.1Å; F413-L417 PolarHBondContact O-N 2.86Å; L414-L417 PolarHBondContact O-N 3.32Å; L417-Q419 VanDerWaalsContact C-N 3.31Å; L417-Q419 PolarHBondContact O-N 3.25Å; L417-Q420 PolarHBondContact O-N 3.13Å; L417-A421 WeakPolarHBondContact O-CB 3.34Å; L417-A421 PolarHBondContact O-N 3.44Å; L417-F428 HydrophobicContact CB-CE2 4.25Å; L417-F431 HydrophobicContact CD1-CE1 4.13Å; L417-F431 HydrophobicContact CD1-CZ 4.1Å; L417-F431 HydrophobicContact CD2-CD1 4.48Å; L417-F431 HydrophobicContact CD2-CE1 3.85Å; L417-F431 HydrophobicContact CD2-CZ 3.9Å; L417-L439 HydrophobicContact CD1-CD2 4.39Å; L417-L458 HydrophobicContact CB-CD1 3.71Å; L417-L458 HydrophobicContact CB-CD2 3.92Å; L417-L458 HydrophobicContact CB-CG 4.49Å; L417-L458 HydrophobicContact CD1-CD1 3.76Å; L417-L458 HydrophobicContact CG-CD1 4.41Å
418	S	95.7	Very high	95.2	Very high	57 Å²	57	54.5 Å²	54.5	40%	0.399	27%	0.272	S	S	.	.	H	α-helix	trans	-59.8	-41.2	174.7	176.7	0	0	0	0	111.8	L414 K415 F416 A421 S422	L414-S418 PolarHBondContact O-N 2.82Å; K415-S418 PolarHBondContact O-N 3.06Å; F416-S418 VanDerWaalsContact C-N 3.3Å; F416-S418 PolarHBondContact O-N 2.8Å; S418-A421 WeakPolarHBondContact O-CB 3.48Å; S418-A421 PolarHBondContact O-N 2.9Å; S418-S422 PolarHBondContact O-N 3.37Å
419	Q	96	Very high	95.2	Very high	74 Å²	74	55.1 Å²	55.1	35%	0.346	28%	0.275	S	S	.	.	H	α-helix	trans	-65.4	-43	174.3	-69.9	173.6	-1.6	0	0	112.2	K415 F416 L417 A421 S422 R423	K415-Q419 WeakPolarHBondContact O-CG 3.48Å; K415-Q419 PolarHBondContact O-N 3.21Å; K415-Q419 VanDerWaalsContact O-N 3.07Å; F416-Q419 WeakPolarHBondContact O-CB 3.44Å; F416-Q419 PolarHBondContact O-N 2.93Å; F416-Q419 VanDerWaalsContact O-N 3.11Å; L417-Q419 VanDerWaalsContact C-N 3.31Å; L417-Q419 PolarHBondContact O-N 3.25Å; Q419-A421 VanDerWaalsContact C-N 3.3Å; Q419-A421 PolarHBondContact O-N 2.8Å; Q419-S422 PolarHBondContact O-N 2.83Å; Q419-S422 VanDerWaalsContact O-N 3.16Å; Q419-S422 PolarHBondContact O-OG 3.15Å; Q419-R423 WeakPolarHBondContact O-CG 3.48Å; Q419-R423 PolarHBondContact O-N 3.05Å
420	Q	95.9	Very high	95.2	Very high	17 Å²	17	57.8 Å²	57.8	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-41.8	176.5	-63.9	-51.9	-43.3	0	0	111.4	Y318 F416 L417 S422 R423 E424 F428	Y318-Q420 HydrophobicContact CD1-CG 4.12Å; Y318-Q420 HydrophobicContact CE1-CB 4.12Å; Y318-Q420 HydrophobicContact CE1-CG 3.82Å; F416-Q420 HydrophobicContact CD1-CG 4.27Å; F416-Q420 HydrophobicContact CD2-CG 4.44Å; F416-Q420 HydrophobicContact CE1-CG 3.8Å; F416-Q420 HydrophobicContact CE2-CG 4.02Å; F416-Q420 HydrophobicContact CZ-CG 3.66Å; F416-Q420 WeakPolarHBondContact O-CG 3.43Å; F416-Q420 PolarHBondContact O-N 3.3Å; L417-Q420 PolarHBondContact O-N 3.13Å; Q420-S422 PolarHBondContact O-N 3.16Å; Q420-R423 PolarHBondContact O-N 2.74Å; Q420-R423 VanDerWaalsContact O-N 3.15Å; Q420-E424 PolarHBondContact O-N 3.31Å; Q420-F428 HydrophobicContact CB-CD2 4.43Å
421	A	94.8	Very high	95.2	Very high	8 Å²	8	57.7 Å²	57.7	7%	0.066	29%	0.293	C	S	.	.	H	α-helix	trans	-58.7	-31	176.5	0	0	0	0	0	113.6	L417 S418 Q419 T425 F428	L417-A421 WeakPolarHBondContact O-CB 3.34Å; L417-A421 PolarHBondContact O-N 3.44Å; S418-A421 WeakPolarHBondContact O-CB 3.48Å; S418-A421 PolarHBondContact O-N 2.9Å; Q419-A421 VanDerWaalsContact C-N 3.3Å; Q419-A421 PolarHBondContact O-N 2.8Å; A421-T425 PolarHBondContact O-OG1 2.99Å; A421-F428 HydrophobicContact CB-CB 4.4Å; A421-F428 HydrophobicContact CB-CD1 3.45Å; A421-F428 VanDerWaalsContact CB-CD1 3.45Å; A421-F428 HydrophobicContact CB-CD2 3.85Å; A421-F428 HydrophobicContact CB-CE1 3.49Å; A421-F428 VanDerWaalsContact CB-CE1 3.49Å; A421-F428 HydrophobicContact CB-CE2 3.92Å; A421-F428 HydrophobicContact CB-CG 3.62Å; A421-F428 HydrophobicContact CB-CZ 3.75Å
422	S	92.9	Very high	95.2	Very high	93 Å²	93	55.5 Å²	55.5	65%	0.65	28%	0.279	S	S	*	.	H	α-helix	trans	-87	-25.5	177.2	68	0	0	0	0	114.5	S418 Q419 Q420	S418-S422 PolarHBondContact O-N 3.37Å; Q419-S422 PolarHBondContact O-N 2.83Å; Q419-S422 VanDerWaalsContact O-N 3.16Å; Q419-S422 PolarHBondContact O-OG 3.15Å; Q420-S422 PolarHBondContact O-N 3.16Å
423	R	94.1	Very high	95.1	Very high	177 Å²	177	56 Å²	56	67%	0.668	29%	0.29	S	S	*	.	H	α-helix	trans	-92.9	-42.4	-175	-72	178.9	-179.8	-175.6	0.5	112.9	Q419 Q420	Q419-R423 WeakPolarHBondContact O-CG 3.48Å; Q419-R423 PolarHBondContact O-N 3.05Å; Q420-R423 PolarHBondContact O-N 2.74Å; Q420-R423 VanDerWaalsContact O-N 3.15Å
424	E	93.3	Very high	94.9	Very high	90 Å²	90	57.4 Å²	57.4	42%	0.421	30%	0.297	S	S	.	.			trans	-135	68.7	-173.4	-67.3	179.5	-124.5	0	0	109.5	Q420 D426 K427 F428	Q420-E424 PolarHBondContact O-N 3.31Å; E424-D426 PolarHBondContact O-N 3.42Å; E424-K427 HydrophobicContact CB-CB 4.02Å; E424-K427 PolarHBondContact O-N 3.07Å; E424-K427 WeakPolarHBondContact OE2-CD 3.35Å; E424-K427 IonicContact OE2-NZ 3.16Å; E424-F428 PolarHBondContact O-N 3.43Å
425	T	92.7	Very high	94.7	Very high	70 Å²	70	57.5 Å²	57.5	43%	0.429	30%	0.297	S	S	.	.	H	α-helix	trans	-53.7	-46.4	-172.6	-49	0	0	0	0	113.1	A421 K427 F428 I429	A421-T425 PolarHBondContact O-OG1 2.99Å; T425-K427 PolarHBondContact O-N 2.82Å; T425-F428 WeakPolarHBondContact O-CB 3.49Å; T425-F428 PolarHBondContact O-N 3.19Å; T425-I429 HydrophobicContact CG2-CD1 4.04Å; T425-I429 WeakPolarHBondContact O-CG1 3.49Å; T425-I429 PolarHBondContact O-N 3.1Å
426	D	93.5	Very high	94.6	Very high	138 Å²	138	52.6 Å²	52.6	74%	0.738	28%	0.277	S	S	*	.	H	α-helix	trans	-64.6	-41.6	-177.9	-62.5	-26.3	0	0	0	112.2	E424 F428 I429 S430	E424-D426 PolarHBondContact O-N 3.42Å; D426-F428 VanDerWaalsContact C-N 3.3Å; D426-F428 PolarHBondContact O-N 2.96Å; D426-I429 PolarHBondContact O-N 3.42Å; D426-S430 PolarHBondContact O-N 3.38Å
427	K	94.9	Very high	94.4	Very high	81 Å²	81	53 Å²	53	35%	0.352	28%	0.282	S	S	.	.	H	α-helix	trans	-66.7	-35.4	176	-170.9	-177	175.7	180	0	111.3	R317 Y318 E424 T425 F431	R317-K427 WeakPolarHBondContact O-CE 3.32Å; R317-K427 PolarHBondContact O-NZ 3.2Å; R317-K427 VanDerWaalsContact O-NZ 3.09Å; Y318-K427 HydrophobicContact CE1-CD 3.92Å; Y318-K427 HydrophobicContact CE1-CG 4.36Å; Y318-K427 PolarHBondContact OH-O 2.85Å; E424-K427 HydrophobicContact CB-CB 4.02Å; E424-K427 PolarHBondContact O-N 3.07Å; E424-K427 WeakPolarHBondContact OE2-CD 3.35Å; E424-K427 IonicContact OE2-NZ 3.16Å; T425-K427 PolarHBondContact O-N 2.82Å; K427-F431 PolarHBondContact O-N 3.43Å
428	F	96.1	Very high	94.2	Very high	1 Å²	1	53.2 Å²	53.2	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-69	-40.7	175.3	-177.6	-102.1	0	0	0	112.5	Y318 L417 Q420 A421 E424 T425 D426 F431 L432 L458	Y318-F428 WeakPolarHBondContact OH-CA 3.29Å; Y318-F428 PolarHBondContact OH-N 2.86Å; L417-F428 HydrophobicContact CB-CE2 4.25Å; Q420-F428 HydrophobicContact CB-CD2 4.43Å; A421-F428 HydrophobicContact CB-CB 4.4Å; A421-F428 HydrophobicContact CB-CD1 3.45Å; A421-F428 VanDerWaalsContact CB-CD1 3.45Å; A421-F428 HydrophobicContact CB-CD2 3.85Å; A421-F428 HydrophobicContact CB-CE1 3.49Å; A421-F428 VanDerWaalsContact CB-CE1 3.49Å; A421-F428 HydrophobicContact CB-CE2 3.92Å; A421-F428 HydrophobicContact CB-CG 3.62Å; A421-F428 HydrophobicContact CB-CZ 3.75Å; E424-F428 PolarHBondContact O-N 3.43Å; T425-F428 WeakPolarHBondContact O-CB 3.49Å; T425-F428 PolarHBondContact O-N 3.19Å; D426-F428 VanDerWaalsContact C-N 3.3Å; D426-F428 PolarHBondContact O-N 2.96Å; F428-F431 HydrophobicContact CD2-CD1 4.07Å; F428-F431 AromaticContact CE2-CD1 3.96Å; F428-F431 HydrophobicContact CE2-CD1 3.96Å; F428-F431 HydrophobicContact CE2-CE1 4.2Å; F428-F431 WeakPolarHBondContact O-CA 3.45Å; F428-F431 WeakPolarHBondContact O-CB 3.49Å; F428-F431 PolarHBondContact O-N 3.16Å; F428-F431 VanDerWaalsContact O-N 3.14Å; F428-L432 HydrophobicContact CD1-CD1 4Å; F428-L432 HydrophobicContact CD1-CG 4.31Å; F428-L432 HydrophobicContact CE1-CD1 3.48Å; F428-L432 VanDerWaalsContact CE1-CD1 3.48Å; F428-L432 HydrophobicContact CE1-CD2 4.32Å; F428-L432 HydrophobicContact CE1-CG 3.87Å; F428-L432 HydrophobicContact CZ-CD1 4.08Å; F428-L432 HydrophobicContact CZ-CD2 4.06Å; F428-L432 HydrophobicContact CZ-CG 4.05Å; F428-L432 PolarHBondContact O-N 3.45Å; F428-L458 WeakPolarHBondContact CE1-O 3.28Å; F428-L458 HydrophobicContact CE2-CD2 4.49Å; F428-L458 HydrophobicContact CZ-CB 4.09Å; F428-L458 HydrophobicContact CZ-CD2 4.08Å
429	I	94.4	Very high	94.2	Very high	49 Å²	49	50.5 Å²	50.5	25%	0.251	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-48.1	173.6	-69	167.4	0	0	0	110.1	T425 D426 F431 L432 D433	T425-I429 HydrophobicContact CG2-CD1 4.04Å; T425-I429 WeakPolarHBondContact O-CG1 3.49Å; T425-I429 PolarHBondContact O-N 3.1Å; D426-I429 PolarHBondContact O-N 3.42Å; I429-F431 PolarHBondContact O-N 3.11Å; I429-L432 WeakPolarHBondContact O-CA 3.22Å; I429-L432 WeakPolarHBondContact O-CB 3.48Å; I429-L432 PolarHBondContact O-N 3.3Å; I429-D433 PolarHBondContact O-N 3.41Å
430	S	94.2	Very high	94.1	Very high	55 Å²	55	48 Å²	48	39%	0.385	25%	0.252	S	S	.	.	H	α-helix	trans	-59.5	-32.7	174.8	173.8	0	0	0	0	113	R317 D426 D434	R317-S430 PolarHBondContact NH1-O 2.93Å; D426-S430 PolarHBondContact O-N 3.38Å; S430-D434 PolarHBondContact O-N 2.88Å
431	F	96.1	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-42.3	170.3	161.4	-96	0	0	0	113	Y318 V336 F377 L417 K427 F428 I429 D433 D434 Y435 L439	Y318-F431 HydrophobicContact CD2-CD2 4.26Å; Y318-F431 HydrophobicContact CE2-CB 3.78Å; Y318-F431 HydrophobicContact CE2-CD2 4Å; Y318-F431 AromaticContact CE2-CG 3.84Å; Y318-F431 HydrophobicContact CE2-CG 3.84Å; V336-F431 HydrophobicContact CG1-CD2 4Å; V336-F431 HydrophobicContact CG1-CE2 3.87Å; F377-F431 HydrophobicContact CE2-CE2 4.19Å; F377-F431 HydrophobicContact CZ-CE2 4.5Å; F377-F431 HydrophobicContact CZ-CZ 4.41Å; L417-F431 HydrophobicContact CD1-CE1 4.13Å; L417-F431 HydrophobicContact CD1-CZ 4.1Å; L417-F431 HydrophobicContact CD2-CD1 4.48Å; L417-F431 HydrophobicContact CD2-CE1 3.85Å; L417-F431 HydrophobicContact CD2-CZ 3.9Å; K427-F431 PolarHBondContact O-N 3.43Å; F428-F431 HydrophobicContact CD2-CD1 4.07Å; F428-F431 AromaticContact CE2-CD1 3.96Å; F428-F431 HydrophobicContact CE2-CD1 3.96Å; F428-F431 HydrophobicContact CE2-CE1 4.2Å; F428-F431 WeakPolarHBondContact O-CA 3.45Å; F428-F431 WeakPolarHBondContact O-CB 3.49Å; F428-F431 PolarHBondContact O-N 3.16Å; F428-F431 VanDerWaalsContact O-N 3.14Å; I429-F431 PolarHBondContact O-N 3.11Å; F431-D433 VanDerWaalsContact C-N 3.33Å; F431-D433 PolarHBondContact O-N 3.46Å; F431-D434 PolarHBondContact O-N 3.1Å; F431-Y435 AromaticContact CD2-CD2 3.56Å; F431-Y435 HydrophobicContact CD2-CD2 3.56Å; F431-Y435 HydrophobicContact CD2-CE2 4.38Å; F431-Y435 HydrophobicContact CD2-CG 4.08Å; F431-Y435 AromaticContact CE2-CD2 3.73Å; F431-Y435 HydrophobicContact CE2-CD2 3.73Å; F431-Y435 AromaticContact CE2-CG 3.78Å; F431-Y435 HydrophobicContact CE2-CG 3.78Å; F431-Y435 WeakPolarHBondContact O-CB 3.45Å; F431-Y435 PolarHBondContact O-N 2.9Å; F431-L439 HydrophobicContact CE1-CD1 4.36Å
432	L	94.7	Very high	93.9	Very high	20 Å²	20	47.6 Å²	47.6	11%	0.105	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-35.5	176.7	-71.2	178.1	0	0	0	112.6	F428 I429 D434 G436 L439 L458 R460	F428-L432 HydrophobicContact CD1-CD1 4Å; F428-L432 HydrophobicContact CD1-CG 4.31Å; F428-L432 HydrophobicContact CE1-CD1 3.48Å; F428-L432 VanDerWaalsContact CE1-CD1 3.48Å; F428-L432 HydrophobicContact CE1-CD2 4.32Å; F428-L432 HydrophobicContact CE1-CG 3.87Å; F428-L432 HydrophobicContact CZ-CD1 4.08Å; F428-L432 HydrophobicContact CZ-CD2 4.06Å; F428-L432 HydrophobicContact CZ-CG 4.05Å; F428-L432 PolarHBondContact O-N 3.45Å; I429-L432 WeakPolarHBondContact O-CA 3.22Å; I429-L432 WeakPolarHBondContact O-CB 3.48Å; I429-L432 PolarHBondContact O-N 3.3Å; L432-D434 PolarHBondContact O-N 3.2Å; L432-G436 WeakPolarHBondContact O-CA 3.44Å; L432-G436 PolarHBondContact O-N 2.92Å; L432-L439 HydrophobicContact CD2-CD1 3.62Å; L432-L458 WeakPolarHBondContact CD1-O 3Å; L432-R460 HydrophobicContact CD1-CB 3.97Å; L432-R460 HydrophobicContact CD1-CG 3.48Å; L432-R460 VanDerWaalsContact CD1-CG 3.48Å
433	D	92.8	Very high	93.9	Very high	112 Å²	112	43.1 Å²	43.1	60%	0.599	22%	0.217	S	C	*	.	H	α-helix	trans	-63.4	-29.3	177.1	-65.4	-23	0	0	0	112.6	K340 I429 F431	K340-D433 PolarHBondContact NZ-O 3.19Å; K340-D433 VanDerWaalsContact NZ-O 3.12Å; I429-D433 PolarHBondContact O-N 3.41Å; F431-D433 VanDerWaalsContact C-N 3.33Å; F431-D433 PolarHBondContact O-N 3.46Å
434	D	93.3	Very high	93.8	Very high	29 Å²	29	36 Å²	36	16%	0.155	19%	0.193	C	C	.	.	H	α-helix	trans	-94	-40.2	-179.8	-69.5	-29.4	0	0	0	113.2	R317 K340 S430 F431 L432	R317-D434 IonicContact CZ-OD2 3.55Å; R317-D434 VanDerWaalsContact CZ-OD2 3.27Å; R317-D434 IonicContact NH1-OD2 3.22Å; R317-D434 PolarHBondContact NH1-OD2 2.97Å; R317-D434 IonicContact NH2-OD2 2.81Å; R317-D434 PolarHBondContact NH2-OD2 3.03Å; K340-D434 HydrophobicContact CB-CB 4.43Å; K340-D434 WeakPolarHBondContact CD-OD1 3.16Å; K340-D434 HydrophobicContact CG-CB 4.12Å; K340-D434 IonicContact NZ-OD1 2.68Å; S430-D434 PolarHBondContact O-N 2.88Å; F431-D434 PolarHBondContact O-N 3.1Å; L432-D434 PolarHBondContact O-N 3.2Å
435	Y	94	Very high	93.7	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-118.7	-4	-169.4	-66.6	-82	0	0	0	114.4	V336 P337 W339 P341 F377 F431 V437 Y438	V336-Y435 HydrophobicContact CG1-CD2 4.16Å; V336-Y435 HydrophobicContact CG1-CE2 3.75Å; P337-Y435 WeakPolarHBondContact CB-OH 3.33Å; P337-Y435 PolarHBondContact O-OH 3.24Å; W339-Y435 PolarHBondContact O-OH 3.41Å; P341-Y435 HydrophobicContact CG-CD1 4.14Å; P341-Y435 HydrophobicContact CG-CE1 3.78Å; F377-Y435 HydrophobicContact CB-CD1 3.92Å; F377-Y435 HydrophobicContact CB-CE1 3.72Å; F377-Y435 HydrophobicContact CD1-CD1 4.2Å; F377-Y435 AromaticContact CD2-CD1 3.58Å; F377-Y435 HydrophobicContact CD2-CD1 3.58Å; F377-Y435 AromaticContact CD2-CE1 3.7Å; F377-Y435 HydrophobicContact CD2-CE1 3.7Å; F377-Y435 HydrophobicContact CD2-CG 4.37Å; F377-Y435 HydrophobicContact CE2-CD1 4.11Å; F377-Y435 HydrophobicContact CE2-CG 4.49Å; F377-Y435 AromaticContact CG-CD1 3.64Å; F377-Y435 HydrophobicContact CG-CD1 3.64Å; F377-Y435 AromaticContact CG-CE1 3.85Å; F377-Y435 HydrophobicContact CG-CE1 3.85Å; F431-Y435 AromaticContact CD2-CD2 3.56Å; F431-Y435 HydrophobicContact CD2-CD2 3.56Å; F431-Y435 HydrophobicContact CD2-CE2 4.38Å; F431-Y435 HydrophobicContact CD2-CG 4.08Å; F431-Y435 AromaticContact CE2-CD2 3.73Å; F431-Y435 HydrophobicContact CE2-CD2 3.73Å; F431-Y435 AromaticContact CE2-CG 3.78Å; F431-Y435 HydrophobicContact CE2-CG 3.78Å; F431-Y435 WeakPolarHBondContact O-CB 3.45Å; F431-Y435 PolarHBondContact O-N 2.9Å; Y435-V437 PolarHBondContact O-N 2.92Å; Y435-V437 VanDerWaalsContact O-N 3.12Å; Y435-Y438 AromaticContact CD1-CD2 3.99Å; Y435-Y438 HydrophobicContact CD1-CD2 3.99Å; Y435-Y438 AromaticContact CD1-CE2 3.99Å; Y435-Y438 HydrophobicContact CD1-CE2 3.99Å; Y435-Y438 WeakPolarHBondContact O-CB 3.35Å; Y435-Y438 PolarHBondContact O-N 2.92Å
436	G	93.5	Very high	93.6	Very high	5 Å²	5	33.1 Å²	33.1	5%	0.052	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-27.5	-177	0	0	0	0	0	113.6	L432 Y438 L439 K440	L432-G436 WeakPolarHBondContact O-CA 3.44Å; L432-G436 PolarHBondContact O-N 2.92Å; G436-Y438 VanDerWaalsContact C-N 3.27Å; G436-Y438 PolarHBondContact O-N 3.27Å; G436-L439 PolarHBondContact O-N 2.81Å; G436-K440 WeakPolarHBondContact O-CG 3.46Å; G436-K440 PolarHBondContact O-N 3.03Å
437	V	91.5	Very high	93.5	Very high	34 Å²	34	30 Å²	30	21%	0.206	18%	0.176	C	C	.	.	H	α-helix	trans	-59.1	-36.1	172.5	65.6	0	0	0	0	112.7	M346 Y435 K440 E441	M346-V437 HydrophobicContact CE-CB 4.27Å; M346-V437 HydrophobicContact CE-CG1 3.44Å; M346-V437 VanDerWaalsContact CE-CG1 3.44Å; M346-V437 HydrophobicContact CE-CG2 3.85Å; M346-V437 HydrophobicContact SD-CG1 4.37Å; Y435-V437 PolarHBondContact O-N 2.92Å; Y435-V437 VanDerWaalsContact O-N 3.12Å; V437-K440 PolarHBondContact O-N 2.96Å; V437-E441 WeakPolarHBondContact O-CB 3.46Å; V437-E441 PolarHBondContact O-N 3.23Å
438	Y	93.5	Very high	93.4	Very high	5 Å²	5	28.1 Å²	28.1	2%	0.02	17%	0.17	C	C	.	.	H	α-helix	trans	-70.2	-39.5	176.7	-69.8	-88.5	0	0	0	111.6	P341 M346 W374 R376 F377 Y435 G436 K440 E441 G442	P341-Y438 HydrophobicContact CB-CE2 4.41Å; P341-Y438 WeakPolarHBondContact CB-OH 3.38Å; P341-Y438 HydrophobicContact CG-CE2 3.63Å; M346-Y438 HydrophobicContact CG-CE2 4.38Å; M346-Y438 WeakPolarHBondContact CG-OH 3.44Å; W374-Y438 WeakPolarHBondContact CB-O 3.47Å; W374-Y438 WeakPolarHBondContact O-CB 3.36Å; W374-Y438 WeakPolarHBondContact O-CD1 3.39Å; R376-Y438 HydrophobicContact CG-CD1 4.36Å; R376-Y438 HydrophobicContact CG-CE1 3.87Å; R376-Y438 VanDerWaalsContact CZ-CE1 3.46Å; F377-Y438 HydrophobicContact CB-CE1 4.28Å; F377-Y438 HydrophobicContact CB-CE2 4.4Å; F377-Y438 AromaticContact CD1-CD1 3.73Å; F377-Y438 HydrophobicContact CD1-CD1 3.73Å; F377-Y438 AromaticContact CD1-CD2 3.98Å; F377-Y438 HydrophobicContact CD1-CD2 3.98Å; F377-Y438 HydrophobicContact CD1-CE1 4.2Å; F377-Y438 HydrophobicContact CD1-CE2 4.46Å; F377-Y438 AromaticContact CD1-CG 3.58Å; F377-Y438 HydrophobicContact CD1-CG 3.58Å; F377-Y438 HydrophobicContact CE1-CD1 4.46Å; F377-Y438 HydrophobicContact CE1-CG 4.03Å; Y435-Y438 AromaticContact CD1-CD2 3.99Å; Y435-Y438 HydrophobicContact CD1-CD2 3.99Å; Y435-Y438 AromaticContact CD1-CE2 3.99Å; Y435-Y438 HydrophobicContact CD1-CE2 3.99Å; Y435-Y438 WeakPolarHBondContact O-CB 3.35Å; Y435-Y438 PolarHBondContact O-N 2.92Å; G436-Y438 VanDerWaalsContact C-N 3.27Å; G436-Y438 PolarHBondContact O-N 3.27Å; Y438-K440 VanDerWaalsContact C-N 3.31Å; Y438-K440 PolarHBondContact O-N 2.96Å; Y438-E441 WeakPolarHBondContact O-CB 3.46Å; Y438-E441 PolarHBondContact O-N 3.37Å; Y438-G442 PolarHBondContact O-N 3.3Å
439	L	95.4	Very high	93.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.7	-42.5	174.3	-59.4	-172.3	0	0	0	110.7	W374 L417 F431 L432 G436 G442 L443 I455 L458 L459	W374-L439 HydrophobicContact CE3-CD2 4.13Å; W374-L439 HydrophobicContact CZ3-CD2 3.57Å; L417-L439 HydrophobicContact CD1-CD2 4.39Å; F431-L439 HydrophobicContact CE1-CD1 4.36Å; L432-L439 HydrophobicContact CD2-CD1 3.62Å; G436-L439 PolarHBondContact O-N 2.81Å; L439-G442 WeakPolarHBondContact O-CA 3.34Å; L439-G442 PolarHBondContact O-N 2.89Å; L439-G442 VanDerWaalsContact O-N 3.1Å; L439-L443 PolarHBondContact O-N 3.29Å; L439-I455 HydrophobicContact CB-CG2 3.82Å; L439-I455 VanDerWaalsContact O-CG2 3.26Å; L439-I455 WeakPolarHBondContact O-CG2 3.41Å; L439-L458 HydrophobicContact CD1-CB 4.07Å; L439-L458 HydrophobicContact CD1-CD1 4.31Å; L439-L459 HydrophobicContact CB-CD2 4.09Å; L439-L459 HydrophobicContact CD1-CD2 4.44Å
440	K	94.6	Very high	93.1	Very high	22 Å²	22	34.7 Å²	34.7	10%	0.096	20%	0.2	C	C	.	.	H	α-helix	trans	-65.3	-37.6	176.3	-70.2	168.2	-175.8	-172.9	0	112.4	G436 V437 Y438 G442 L443 V444 L459 Y524 D525 V528	G436-K440 WeakPolarHBondContact O-CG 3.46Å; G436-K440 PolarHBondContact O-N 3.03Å; V437-K440 PolarHBondContact O-N 2.96Å; Y438-K440 VanDerWaalsContact C-N 3.31Å; Y438-K440 PolarHBondContact O-N 2.96Å; K440-G442 VanDerWaalsContact C-N 3.32Å; K440-L443 PolarHBondContact O-N 3.49Å; K440-V444 WeakPolarHBondContact O-CG2 3.43Å; K440-V444 PolarHBondContact O-N 2.84Å; K440-L459 HydrophobicContact CG-CD1 4Å; K440-L459 HydrophobicContact CG-CD2 4.02Å; K440-Y524 HydrophobicContact CB-CD2 4.44Å; K440-Y524 HydrophobicContact CB-CE2 4.5Å; K440-Y524 HydrophobicContact CD-CD2 3.71Å; K440-Y524 HydrophobicContact CD-CE2 3.3Å; K440-D525 WeakPolarHBondContact CE-OD1 3.27Å; K440-D525 IonicContact NZ-OD1 2.97Å; K440-D525 PolarHBondContact NZ-OD1 3.42Å; K440-D525 IonicContact NZ-OD2 2.76Å; K440-V528 HydrophobicContact CB-CG1 4.34Å; K440-V528 HydrophobicContact CB-CG2 3.82Å; K440-V528 HydrophobicContact CG-CG1 4.28Å; K440-V528 HydrophobicContact CG-CG2 4.27Å
441	E	92.3	Very high	93.1	Very high	15 Å²	15	32.6 Å²	32.6	7%	0.07	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-43.9	168.7	-175.5	-171.4	148	0	0	111.1	L25 W374 R376 V437 Y438 L443 V444 I445	L25-E441 HydrophobicContact CD2-CB 4.17Å; L25-E441 HydrophobicContact CD2-CG 4.25Å; W374-E441 HydrophobicContact CB-CB 4.37Å; W374-E441 HydrophobicContact CB-CG 4.36Å; R376-E441 IonicContact CZ-OE1 3.75Å; R376-E441 IonicContact CZ-OE2 2.62Å; R376-E441 VanDerWaalsContact CZ-OE2 3.28Å; R376-E441 IonicContact NH1-OE1 3.94Å; R376-E441 PolarHBondContact NH1-OE1 2.93Å; R376-E441 IonicContact NH1-OE2 3.93Å; R376-E441 PolarHBondContact NH1-OE2 3.14Å; R376-E441 IonicContact NH2-OE1 2.71Å; R376-E441 IonicContact NH2-OE2 3.37Å; R376-E441 PolarHBondContact NH2-OE2 2.89Å; V437-E441 WeakPolarHBondContact O-CB 3.46Å; V437-E441 PolarHBondContact O-N 3.23Å; Y438-E441 WeakPolarHBondContact O-CB 3.46Å; Y438-E441 PolarHBondContact O-N 3.37Å; E441-L443 PolarHBondContact O-N 3.5Å; E441-V444 PolarHBondContact O-N 3.3Å; E441-V444 VanDerWaalsContact O-N 3.17Å; E441-I445 HydrophobicContact CG-CD1 3.53Å; E441-I445 HydrophobicContact CG-CG1 4.24Å; E441-I445 WeakPolarHBondContact O-CG1 3.41Å; E441-I445 PolarHBondContact O-N 3.04Å
442	G	93.5	Very high	93	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.4	-42.2	176.2	0	0	0	0	0	113.5	W374 Y438 L439 K440 V444 I445 E446	W374-G442 VanDerWaalsContact CD1-CA 3.45Å; Y438-G442 PolarHBondContact O-N 3.3Å; L439-G442 WeakPolarHBondContact O-CA 3.34Å; L439-G442 PolarHBondContact O-N 2.89Å; L439-G442 VanDerWaalsContact O-N 3.1Å; K440-G442 VanDerWaalsContact C-N 3.32Å; G442-V444 PolarHBondContact O-N 3.18Å; G442-I445 PolarHBondContact O-N 3.02Å; G442-E446 WeakPolarHBondContact O-CB 3.44Å; G442-E446 VanDerWaalsContact O-CG 3.32Å; G442-E446 WeakPolarHBondContact O-CG 3.48Å; G442-E446 PolarHBondContact O-N 3.12Å
443	L	93.4	Very high	93	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-32.4	176.3	-78.7	166.8	0	0	0	114.1	L439 K440 E441 R452 I455 A456 L459 V528 L532	L439-L443 PolarHBondContact O-N 3.29Å; K440-L443 PolarHBondContact O-N 3.49Å; E441-L443 PolarHBondContact O-N 3.5Å; L443-R452 HydrophobicContact CD2-CB 4.09Å; L443-R452 WeakPolarHBondContact CD2-O 3.36Å; L443-R452 PolarHBondContact O-NE 2.96Å; L443-R452 PolarHBondContact O-NH2 3.41Å; L443-I455 HydrophobicContact CD1-CG2 4.11Å; L443-I455 HydrophobicContact CD2-CB 3.95Å; L443-I455 HydrophobicContact CD2-CG2 4.17Å; L443-I455 HydrophobicContact CG-CB 4.01Å; L443-I455 HydrophobicContact CG-CG2 3.67Å; L443-A456 HydrophobicContact CD2-CB 3.97Å; L443-L459 HydrophobicContact CD1-CD1 3.35Å; L443-L459 HydrophobicContact CD1-CG 4.25Å; L443-V528 HydrophobicContact CB-CG1 3.87Å; L443-V528 HydrophobicContact CD1-CG1 3.46Å; L443-V528 VanDerWaalsContact CD1-CG1 3.46Å; L443-V528 HydrophobicContact CG-CG1 4.29Å; L443-L532 HydrophobicContact CD2-CD1 4.1Å; L443-L532 HydrophobicContact CD2-CD2 4.41Å
444	V	91.8	Very high	93.1	Very high	26 Å²	26	32.7 Å²	32.7	16%	0.158	18%	0.179	C	C	.	.	H	α-helix	trans	-85	-40	-178.5	176	0	0	0	0	111.4	K440 E441 G442 V528 Q531	K440-V444 WeakPolarHBondContact O-CG2 3.43Å; K440-V444 PolarHBondContact O-N 2.84Å; E441-V444 PolarHBondContact O-N 3.3Å; E441-V444 VanDerWaalsContact O-N 3.17Å; G442-V444 PolarHBondContact O-N 3.18Å; V444-V528 HydrophobicContact CG2-CG2 4.12Å; V444-Q531 HydrophobicContact CG1-CG 4.47Å; V444-Q531 HydrophobicContact CG2-CB 4.43Å; V444-Q531 HydrophobicContact CG2-CG 4.37Å
445	I	91.1	Very high	93.3	Very high	60 Å²	60	31.3 Å²	31.3	31%	0.308	17%	0.172	S	C	.	.	H	α-helix	trans	-84.8	-35.3	-174.7	-63.6	-179.6	0	0	0	112.2	E441 G442 G447	E441-I445 HydrophobicContact CG-CD1 3.53Å; E441-I445 HydrophobicContact CG-CG1 4.24Å; E441-I445 WeakPolarHBondContact O-CG1 3.41Å; E441-I445 PolarHBondContact O-N 3.04Å; G442-I445 PolarHBondContact O-N 3.02Å; I445-G447 PolarHBondContact O-N 3.4Å
446	E	91.9	Very high	93.4	Very high	41 Å²	41	31.1 Å²	31.1	19%	0.192	17%	0.171	C	C	.	.			trans	-67.2	131	-178	-74.9	-67.9	-175.2	0	0	111.5	W374 G442 I451 R452 I455	W374-E446 PolarHBondContact NE1-OE1 3.49Å; G442-E446 WeakPolarHBondContact O-CB 3.44Å; G442-E446 VanDerWaalsContact O-CG 3.32Å; G442-E446 WeakPolarHBondContact O-CG 3.48Å; G442-E446 PolarHBondContact O-N 3.12Å; E446-I451 HydrophobicContact CG-CG2 4.19Å; E446-R452 HydrophobicContact CB-CG 3.87Å; E446-R452 WeakPolarHBondContact O-CD 3.14Å; E446-R452 PolarHBondContact O-NE 3.16Å; E446-I455 HydrophobicContact CG-CD1 4.33Å
447	G	90.4	Very high	93.4	Very high	72 Å²	72	33.8 Å²	33.8	74%	0.742	18%	0.181	S	C	*	.			trans	-88.9	-15.7	176.9	0	0	0	0	0	113.9	I445	I445-G447 PolarHBondContact O-N 3.4Å
448	D	91.9	Very high	93.7	Very high	41 Å²	41	32.2 Å²	32.2	22%	0.219	17%	0.172	C	C	.	.			trans	-87.6	112.3	-178.6	-169	-35.5	0	0	0	110.8	R407 E450 I451 R452	R407-D448 IonicContact CZ-OD2 3.32Å; R407-D448 IonicContact NH1-OD2 3.3Å; R407-D448 PolarHBondContact NH1-OD2 3.44Å; R407-D448 IonicContact NH2-OD2 2.99Å; R407-D448 PolarHBondContact NH2-OD2 3.29Å; D448-E450 PolarHBondContact O-N 3.1Å; D448-E450 WeakPolarHBondContact OD1-CB 3.43Å; D448-E450 PolarHBondContact OD1-N 3.41Å; D448-I451 HydrophobicContact CB-CB 4.33Å; D448-I451 HydrophobicContact CB-CD1 4.13Å; D448-I451 HydrophobicContact CB-CG1 4.18Å; D448-I451 PolarHBondContact O-N 3.16Å; D448-I451 VanDerWaalsContact O-N 3.17Å; D448-R452 VanDerWaalsContact O-CG 3.23Å; D448-R452 WeakPolarHBondContact O-CG 3.2Å; D448-R452 PolarHBondContact O-N 3.03Å
449	Q	91.8	Very high	93.8	Very high	52 Å²	52	32.2 Å²	32.2	24%	0.243	17%	0.172	C	C	.	.	H	α-helix	trans	-56.9	-34.9	-178.1	-173.5	62	19.4	0	0	113.3	R452 E453 Q534	Q449-R452 PolarHBondContact O-N 3.2Å; Q449-E453 PolarHBondContact NE2-OE1 2.95Å; Q449-E453 WeakPolarHBondContact O-CG 3.45Å; Q449-E453 PolarHBondContact O-N 3.48Å; Q449-Q534 PolarHBondContact NE2-O 3.47Å
450	E	92.5	Very high	93.8	Very high	136 Å²	136	34.8 Å²	34.8	64%	0.636	18%	0.182	S	C	*	.	H	α-helix	trans	-65.5	-45	179.6	-63.3	-179.3	170	0	0	110.9	R407 D448 R452 E453 E454	R407-E450 IonicContact NH2-OE2 2.86Å; D448-E450 PolarHBondContact O-N 3.1Å; D448-E450 WeakPolarHBondContact OD1-CB 3.43Å; D448-E450 PolarHBondContact OD1-N 3.41Å; E450-R452 VanDerWaalsContact C-N 3.33Å; E450-R452 PolarHBondContact O-N 2.95Å; E450-E453 PolarHBondContact O-N 3.21Å; E450-E454 WeakPolarHBondContact O-CG 3.45Å; E450-E454 PolarHBondContact O-N 3.2Å
451	I	94	Very high	93.8	Very high	12 Å²	12	34.1 Å²	34.1	6%	0.062	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-40.3	178.2	-62.6	179.7	0	0	0	110.1	R407 T410 L414 E446 D448 E453 E454 I455	R407-I451 HydrophobicContact CG-CD1 4.37Å; T410-I451 HydrophobicContact CG2-CG2 4.36Å; L414-I451 HydrophobicContact CD1-CG2 4.11Å; E446-I451 HydrophobicContact CG-CG2 4.19Å; D448-I451 HydrophobicContact CB-CB 4.33Å; D448-I451 HydrophobicContact CB-CD1 4.13Å; D448-I451 HydrophobicContact CB-CG1 4.18Å; D448-I451 PolarHBondContact O-N 3.16Å; D448-I451 VanDerWaalsContact O-N 3.17Å; I451-E453 PolarHBondContact O-N 3.29Å; I451-E454 PolarHBondContact O-N 2.83Å; I451-I455 HydrophobicContact CG2-CD1 4.01Å; I451-I455 HydrophobicContact CG2-CG1 4.44Å; I451-I455 VanDerWaalsContact O-CG1 3.28Å; I451-I455 WeakPolarHBondContact O-CG1 3.37Å; I451-I455 PolarHBondContact O-N 3.43Å
452	R	95	Very high	94	Very high	27 Å²	27	34.5 Å²	34.5	10%	0.102	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-46	176.4	-63.2	167.3	85.7	-152.2	8	111	L443 E446 D448 Q449 E450 E454 I455 A456 Q531 L532	L443-R452 HydrophobicContact CD2-CB 4.09Å; L443-R452 WeakPolarHBondContact CD2-O 3.36Å; L443-R452 PolarHBondContact O-NE 2.96Å; L443-R452 PolarHBondContact O-NH2 3.41Å; E446-R452 HydrophobicContact CB-CG 3.87Å; E446-R452 WeakPolarHBondContact O-CD 3.14Å; E446-R452 PolarHBondContact O-NE 3.16Å; D448-R452 VanDerWaalsContact O-CG 3.23Å; D448-R452 WeakPolarHBondContact O-CG 3.2Å; D448-R452 PolarHBondContact O-N 3.03Å; Q449-R452 PolarHBondContact O-N 3.2Å; E450-R452 VanDerWaalsContact C-N 3.33Å; E450-R452 PolarHBondContact O-N 2.95Å; R452-E454 VanDerWaalsContact C-N 3.34Å; R452-E454 PolarHBondContact O-N 2.74Å; R452-I455 PolarHBondContact O-N 2.96Å; R452-A456 WeakPolarHBondContact O-CB 3.27Å; R452-A456 PolarHBondContact O-N 2.89Å; R452-Q531 PolarHBondContact NH1-O 3.42Å; R452-Q531 PolarHBondContact NH2-O 3.16Å; R452-L532 HydrophobicContact CB-CD1 3.99Å
453	E	94.7	Very high	94.2	Very high	36 Å²	36	34.5 Å²	34.5	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-37.9	176.6	-71.2	-176.9	-159.2	0	0	112.2	Q449 E450 I451 I455 A456 K457 L532 Y535 D536	Q449-E453 PolarHBondContact NE2-OE1 2.95Å; Q449-E453 WeakPolarHBondContact O-CG 3.45Å; Q449-E453 PolarHBondContact O-N 3.48Å; E450-E453 PolarHBondContact O-N 3.21Å; I451-E453 PolarHBondContact O-N 3.29Å; E453-I455 VanDerWaalsContact C-N 3.33Å; E453-I455 PolarHBondContact O-N 2.94Å; E453-A456 PolarHBondContact O-N 3.42Å; E453-K457 WeakPolarHBondContact O-CG 3.28Å; E453-K457 PolarHBondContact O-N 3.37Å; E453-L532 HydrophobicContact CG-CD1 4.49Å; E453-Y535 HydrophobicContact CB-CD2 4.29Å; E453-Y535 HydrophobicContact CB-CE2 4.24Å; E453-Y535 HydrophobicContact CG-CD2 4.11Å; E453-D536 PolarHBondContact OE2-N 3.3Å
454	E	94.9	Very high	94.3	Very high	70 Å²	70	35.6 Å²	35.6	33%	0.327	19%	0.187	S	C	.	.	H	α-helix	trans	-63.4	-35.5	172.8	-70.3	-61.5	126.8	0	0	113.1	L414 E450 I451 R452 K457	L414-E454 HydrophobicContact CD1-CB 3.97Å; E450-E454 WeakPolarHBondContact O-CG 3.45Å; E450-E454 PolarHBondContact O-N 3.2Å; I451-E454 PolarHBondContact O-N 2.83Å; R452-E454 VanDerWaalsContact C-N 3.34Å; R452-E454 PolarHBondContact O-N 2.74Å; E454-K457 IonicContact OE1-NZ 3.73Å; E454-K457 PolarHBondContact OE1-NZ 3.41Å
455	I	96.7	Very high	94.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-69.4	-43.1	172.4	-60.9	161.5	0	0	0	110.2	W374 L414 L439 L443 E446 I451 R452 E453 K457 L458	W374-I455 HydrophobicContact CH2-CD1 4.08Å; W374-I455 HydrophobicContact CH2-CG1 4.03Å; W374-I455 HydrophobicContact CZ2-CD1 3.74Å; W374-I455 HydrophobicContact CZ2-CG1 4.16Å; L414-I455 HydrophobicContact CD1-CG1 3.9Å; L414-I455 HydrophobicContact CD2-CG1 3.87Å; L439-I455 HydrophobicContact CB-CG2 3.82Å; L439-I455 VanDerWaalsContact O-CG2 3.26Å; L439-I455 WeakPolarHBondContact O-CG2 3.41Å; L443-I455 HydrophobicContact CD1-CG2 4.11Å; L443-I455 HydrophobicContact CD2-CB 3.95Å; L443-I455 HydrophobicContact CD2-CG2 4.17Å; L443-I455 HydrophobicContact CG-CB 4.01Å; L443-I455 HydrophobicContact CG-CG2 3.67Å; E446-I455 HydrophobicContact CG-CD1 4.33Å; I451-I455 HydrophobicContact CG2-CD1 4.01Å; I451-I455 HydrophobicContact CG2-CG1 4.44Å; I451-I455 VanDerWaalsContact O-CG1 3.28Å; I451-I455 WeakPolarHBondContact O-CG1 3.37Å; I451-I455 PolarHBondContact O-N 3.43Å; R452-I455 PolarHBondContact O-N 2.96Å; E453-I455 VanDerWaalsContact C-N 3.33Å; E453-I455 PolarHBondContact O-N 2.94Å; I455-K457 VanDerWaalsContact C-N 3.27Å; I455-K457 PolarHBondContact O-N 3.48Å; I455-L458 WeakPolarHBondContact O-CB 3.26Å; I455-L458 PolarHBondContact O-N 2.78Å
456	A	96.1	Very high	94.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.9	-35.1	-178.3	0	0	0	0	0	112.4	L443 R452 E453 L458 L459 L474 L532 Y535	L443-A456 HydrophobicContact CD2-CB 3.97Å; R452-A456 WeakPolarHBondContact O-CB 3.27Å; R452-A456 PolarHBondContact O-N 2.89Å; E453-A456 PolarHBondContact O-N 3.42Å; A456-L458 PolarHBondContact O-N 2.68Å; A456-L459 PolarHBondContact O-N 3Å; A456-L459 VanDerWaalsContact O-N 3.14Å; A456-L474 HydrophobicContact CB-CD1 3.78Å; A456-L532 HydrophobicContact CB-CD2 3.49Å; A456-L532 VanDerWaalsContact CB-CD2 3.49Å; A456-Y535 HydrophobicContact CB-CD2 3.97Å; A456-Y535 HydrophobicContact CB-CE2 4.04Å
457	K	94.7	Very high	94.8	Very high	60 Å²	60	37.2 Å²	37.2	26%	0.261	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.4	172.7	-78.4	172.6	-170.7	175.7	0	114	E453 E454 I455 R460 Y535	E453-K457 WeakPolarHBondContact O-CG 3.28Å; E453-K457 PolarHBondContact O-N 3.37Å; E454-K457 IonicContact OE1-NZ 3.73Å; E454-K457 PolarHBondContact OE1-NZ 3.41Å; I455-K457 VanDerWaalsContact C-N 3.27Å; I455-K457 PolarHBondContact O-N 3.48Å; K457-R460 PolarHBondContact O-NH1 3.03Å; K457-Y535 WeakPolarHBondContact CE-OH 3.11Å; K457-Y535 HydrophobicContact CG-CE2 4.04Å; K457-Y535 WeakPolarHBondContact CG-OH 3.46Å
458	L	96.4	Very high	95	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-20.2	-176.5	-62	178.6	0	0	0	112.6	L414 L417 F428 L432 L439 I455 A456 R460	L414-L458 HydrophobicContact CD2-CD1 3.49Å; L414-L458 VanDerWaalsContact CD2-CD1 3.49Å; L417-L458 HydrophobicContact CB-CD1 3.71Å; L417-L458 HydrophobicContact CB-CD2 3.92Å; L417-L458 HydrophobicContact CB-CG 4.49Å; L417-L458 HydrophobicContact CD1-CD1 3.76Å; L417-L458 HydrophobicContact CG-CD1 4.41Å; F428-L458 WeakPolarHBondContact CE1-O 3.28Å; F428-L458 HydrophobicContact CE2-CD2 4.49Å; F428-L458 HydrophobicContact CZ-CB 4.09Å; F428-L458 HydrophobicContact CZ-CD2 4.08Å; L432-L458 WeakPolarHBondContact CD1-O 3Å; L439-L458 HydrophobicContact CD1-CB 4.07Å; L439-L458 HydrophobicContact CD1-CD1 4.31Å; I455-L458 WeakPolarHBondContact O-CB 3.26Å; I455-L458 PolarHBondContact O-N 2.78Å; A456-L458 PolarHBondContact O-N 2.68Å; L458-R460 VanDerWaalsContact C-NH1 3.28Å; L458-R460 PolarHBondContact O-NH1 2.73Å
459	L	96.1	Very high	95	Very high	4 Å²	4	39 Å²	39	2%	0.021	22%	0.22	C	C	.	.			trans	-72.5	156.1	-179.8	-62.7	-172.5	0	0	0	111.8	L439 K440 L443 A456 W461	L439-L459 HydrophobicContact CB-CD2 4.09Å; L439-L459 HydrophobicContact CD1-CD2 4.44Å; K440-L459 HydrophobicContact CG-CD1 4Å; K440-L459 HydrophobicContact CG-CD2 4.02Å; L443-L459 HydrophobicContact CD1-CD1 3.35Å; L443-L459 HydrophobicContact CD1-CG 4.25Å; A456-L459 PolarHBondContact O-N 3Å; A456-L459 VanDerWaalsContact O-N 3.14Å; L459-W461 HydrophobicContact CB-CE3 4.36Å; L459-W461 HydrophobicContact CB-CH2 3.25Å; L459-W461 HydrophobicContact CB-CZ2 3.65Å; L459-W461 HydrophobicContact CB-CZ3 3.6Å; L459-W461 HydrophobicContact CD1-CH2 3.63Å; L459-W461 HydrophobicContact CD1-CZ2 3.57Å; L459-W461 HydrophobicContact CG-CH2 4.07Å; L459-W461 HydrophobicContact CG-CZ2 4.28Å
460	R	95.2	Very high	95.1	Very high	54 Å²	54	41.2 Å²	41.2	20%	0.204	23%	0.23	C	C	.	.			trans	-134.6	137.2	-175	-66	-64.8	179.5	-85.5	3.5	109.9	L432 K457 L458 T472	L432-R460 HydrophobicContact CD1-CB 3.97Å; L432-R460 HydrophobicContact CD1-CG 3.48Å; L432-R460 VanDerWaalsContact CD1-CG 3.48Å; K457-R460 PolarHBondContact O-NH1 3.03Å; L458-R460 VanDerWaalsContact C-NH1 3.28Å; L458-R460 PolarHBondContact O-NH1 2.73Å; R460-T472 VanDerWaalsContact CA-O 3.32Å; R460-T472 WeakPolarHBondContact CA-O 3.33Å
461	W	95.9	Very high	95.2	Very high	9 Å²	9	36.9 Å²	36.9	3%	0.034	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	162.3	177.7	-62	-78.1	0	0	0	110	L459 T471 T472 L474 L518 L520 D525 L529	L459-W461 HydrophobicContact CB-CE3 4.36Å; L459-W461 HydrophobicContact CB-CH2 3.25Å; L459-W461 HydrophobicContact CB-CZ2 3.65Å; L459-W461 HydrophobicContact CB-CZ3 3.6Å; L459-W461 HydrophobicContact CD1-CH2 3.63Å; L459-W461 HydrophobicContact CD1-CZ2 3.57Å; L459-W461 HydrophobicContact CG-CH2 4.07Å; L459-W461 HydrophobicContact CG-CZ2 4.28Å; W461-T471 CarbonylContact O-C 3.52Å; W461-T471 VanDerWaalsContact O-CA 3.22Å; W461-T471 WeakPolarHBondContact O-CA 3.4Å; W461-T472 PolarHBondContact N-O 2.72Å; W461-T472 PolarHBondContact O-N 3.03Å; W461-L474 HydrophobicContact CH2-CD1 4.3Å; W461-L474 HydrophobicContact CH2-CG 4.37Å; W461-L474 HydrophobicContact CZ3-CD1 4.18Å; W461-L474 HydrophobicContact CZ3-CD2 4.17Å; W461-L474 HydrophobicContact CZ3-CG 3.79Å; W461-L518 HydrophobicContact CB-CD2 4.43Å; W461-L518 HydrophobicContact CE3-CD1 4.43Å; W461-L520 HydrophobicContact CD2-CD2 4.3Å; W461-L520 HydrophobicContact CG-CD2 3.85Å; W461-D525 PolarHBondContact NE1-OD2 2.99Å; W461-L529 HydrophobicContact CH2-CD2 3.86Å; W461-L529 HydrophobicContact CZ2-CD1 4.37Å; W461-L529 HydrophobicContact CZ2-CD2 3.77Å; W461-L529 HydrophobicContact CZ2-CG 4.3Å
462	E	96.8	Very high	95.3	Very high	23 Å²	23	36.3 Å²	36.3	11%	0.107	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	165.5	165.8	-68.6	-168.7	-164.1	0	0	111.2	G469 T471 R496 L518 F519 Y521	E462-G469 WeakPolarHBondContact OE1-CA 3.12Å; E462-G469 PolarHBondContact OE1-N 2.97Å; E462-T471 HydrophobicContact CG-CG2 4.42Å; E462-R496 VanDerWaalsContact OE2-CD 3.24Å; E462-R496 WeakPolarHBondContact OE2-CD 3.27Å; E462-R496 IonicContact OE2-CZ 3.83Å; E462-R496 IonicContact OE2-NE 3.5Å; E462-R496 IonicContact OE2-NH1 3.17Å; E462-R496 PolarHBondContact OE2-NH1 2.71Å; E462-R496 VanDerWaalsContact OE2-NH1 3.07Å; E462-L518 CarbonylContact O-C 3.56Å; E462-L518 WeakPolarHBondContact O-CA 3.44Å; E462-F519 HydrophobicContact CB-CB 4.35Å; E462-F519 HydrophobicContact CB-CD2 4.45Å; E462-F519 PolarHBondContact O-N 2.66Å; E462-Y521 HydrophobicContact CB-CE2 4.13Å; E462-Y521 WeakPolarHBondContact CB-OH 3.5Å; E462-Y521 HydrophobicContact CG-CE2 3.81Å; E462-Y521 PolarHBondContact OE2-OH 3.32Å
463	S	97	Very high	95.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.6	-179.6	174	0	0	0	0	111.5	A465 L466 R496 E516 V517	S463-A465 PolarHBondContact O-N 2.72Å; S463-A465 PolarHBondContact OG-N 2.89Å; S463-L466 PolarHBondContact O-N 3.48Å; S463-R496 PolarHBondContact O-NH1 2.83Å; S463-R496 PolarHBondContact O-NH2 3.02Å; S463-E516 WeakPolarHBondContact CB-OE1 3.24Å; S463-E516 WeakPolarHBondContact OG-CG 3.18Å; S463-E516 PolarHBondContact OG-OE1 3.01Å; S463-V517 WeakPolarHBondContact CA-O 3.39Å
464	T	96.2	Very high	95.3	Very high	22 Å²	22	33.7 Å²	33.7	14%	0.135	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-25.3	170.9	53	0	0	0	0	113.5	L466 L505 E516 V517 F519	T464-L466 VanDerWaalsContact C-N 3.29Å; T464-L505 HydrophobicContact CG2-CD1 3.83Å; T464-L505 HydrophobicContact CG2-CD2 4.11Å; T464-E516 WeakPolarHBondContact OG1-CA 3.42Å; T464-V517 HydrophobicContact CG2-CB 3.82Å; T464-V517 HydrophobicContact CG2-CG2 4.46Å; T464-V517 PolarHBondContact N-O 3.08Å; T464-V517 PolarHBondContact OG1-N 3.5Å; T464-F519 HydrophobicContact CG2-CE1 3.66Å; T464-F519 HydrophobicContact CG2-CE2 4.06Å; T464-F519 HydrophobicContact CG2-CZ 3.32Å
465	A	94.4	Very high	95.3	Very high	57 Å²	57	33.3 Å²	33.3	47%	0.471	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.1	179.1	0	0	0	0	0	113.4	S463 E516	S463-A465 PolarHBondContact O-N 2.72Å; S463-A465 PolarHBondContact OG-N 2.89Å; A465-E516 HydrophobicContact CB-CG 3.78Å
466	L	95.6	Very high	95.3	Very high	28 Å²	28	37.3 Å²	37.3	15%	0.147	22%	0.219	C	C	.	.	S	Bend	trans	-119.8	152.1	-174.8	-61.3	178	0	0	0	112	S463 T464 Q470 T472 R496	S463-L466 PolarHBondContact O-N 3.48Å; T464-L466 VanDerWaalsContact C-N 3.29Å; L466-Q470 HydrophobicContact CB-CB 4.35Å; L466-Q470 HydrophobicContact CD1-CG 4.32Å; L466-T472 HydrophobicContact CD1-CG2 4.01Å; L466-R496 PolarHBondContact O-NH2 3.25Å
467	P	95.1	Very high	95.3	Very high	77 Å²	77	37.3 Å²	37.3	50%	0.5	22%	0.219	S	C	.	.			trans	-55.2	152.7	171.3	-24	32.5	0	0	0	113.4	G469 Q470	P467-G469 PolarHBondContact O-N 3.27Å; P467-Q470 WeakPolarHBondContact O-CB 3.03Å; P467-Q470 PolarHBondContact O-N 3.1Å; P467-Q470 VanDerWaalsContact O-N 3.15Å
468	P	94.8	Very high	95.3	Very high	93 Å²	93	35.3 Å²	35.3	60%	0.604	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	137.9	174.4	-26	35	0	0	0	112.8	Q470 R496	P468-Q470 PolarHBondContact O-N 2.82Å; P468-R496 HydrophobicContact CB-CG 4.37Å
469	G	91.9	Very high	95.2	Very high	58 Å²	58	41.8 Å²	41.8	60%	0.598	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	82	-15.5	-177.9	0	0	0	0	0	114.8	E462 P467 T471	E462-G469 WeakPolarHBondContact OE1-CA 3.12Å; E462-G469 PolarHBondContact OE1-N 2.97Å; P467-G469 PolarHBondContact O-N 3.27Å; G469-T471 PolarHBondContact O-N 3.37Å
470	Q	93.8	Very high	95.1	Very high	97 Å²	97	45.9 Å²	45.9	45%	0.453	26%	0.264	S	S	.	.			trans	-82.6	118.4	176.3	-172.2	175	-6.6	0	0	110.4	L466 P467 P468	L466-Q470 HydrophobicContact CB-CB 4.35Å; L466-Q470 HydrophobicContact CD1-CG 4.32Å; P467-Q470 WeakPolarHBondContact O-CB 3.03Å; P467-Q470 PolarHBondContact O-N 3.1Å; P467-Q470 VanDerWaalsContact O-N 3.15Å; P468-Q470 PolarHBondContact O-N 2.82Å
471	T	94.1	Very high	95.1	Very high	46 Å²	46	44.7 Å²	44.7	28%	0.282	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	156.7	176.5	63.9	0	0	0	0	112.2	W461 E462 G469	W461-T471 CarbonylContact O-C 3.52Å; W461-T471 VanDerWaalsContact O-CA 3.22Å; W461-T471 WeakPolarHBondContact O-CA 3.4Å; E462-T471 HydrophobicContact CG-CG2 4.42Å; G469-T471 PolarHBondContact O-N 3.37Å
472	T	95.3	Very high	94.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	169.8	178.6	-164.6	0	0	0	0	110.1	R460 W461 L466 E476 R480 L518	R460-T472 VanDerWaalsContact CA-O 3.32Å; R460-T472 WeakPolarHBondContact CA-O 3.33Å; W461-T472 PolarHBondContact N-O 2.72Å; W461-T472 PolarHBondContact O-N 3.03Å; L466-T472 HydrophobicContact CD1-CG2 4.01Å; T472-E476 WeakPolarHBondContact CA-OE2 3.46Å; T472-E476 WeakPolarHBondContact CB-OE2 3.13Å; T472-E476 WeakPolarHBondContact OG1-CB 3.42Å; T472-E476 PolarHBondContact OG1-OE2 2.84Å; T472-R480 PolarHBondContact OG1-NH2 3.5Å; T472-L518 HydrophobicContact CG2-CD2 3.82Å
473	C	95	Very high	94.5	Very high	8 Å²	8	54 Å²	54	5%	0.054	32%	0.316	C	S	.	.			trans	-118.5	173.7	175.8	72.5	0	0	0	0	111.9	D475 E476 Y477	C473-D475 VanDerWaalsContact C-N 3.32Å; C473-D475 PolarHBondContact O-N 2.78Å; C473-E476 PolarHBondContact O-N 3.48Å; C473-E476 PolarHBondContact SG-N 3.05Å; C473-Y477 PolarHBondContact O-N 3.31Å
474	L	96.1	Very high	94.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-64	-34.3	-179.9	-67.7	169.1	0	0	0	113.2	A456 W461 Y477 A478 I488 L518 L532 Y535 L540	A456-L474 HydrophobicContact CB-CD1 3.78Å; W461-L474 HydrophobicContact CH2-CD1 4.3Å; W461-L474 HydrophobicContact CH2-CG 4.37Å; W461-L474 HydrophobicContact CZ3-CD1 4.18Å; W461-L474 HydrophobicContact CZ3-CD2 4.17Å; W461-L474 HydrophobicContact CZ3-CG 3.79Å; L474-Y477 PolarHBondContact O-N 3.07Å; L474-A478 VanDerWaalsContact O-CB 3.25Å; L474-A478 WeakPolarHBondContact O-CB 3.49Å; L474-A478 PolarHBondContact O-N 2.92Å; L474-I488 HydrophobicContact CD2-CD1 4.21Å; L474-I488 HydrophobicContact CD2-CG2 4.11Å; L474-L518 HydrophobicContact CD2-CD1 3.83Å; L474-L532 HydrophobicContact CD1-CD2 4.43Å; L474-Y535 HydrophobicContact CB-CD1 3.65Å; L474-Y535 HydrophobicContact CB-CD2 4.34Å; L474-Y535 HydrophobicContact CB-CE1 3.45Å; L474-Y535 VanDerWaalsContact CB-CE1 3.45Å; L474-Y535 HydrophobicContact CB-CE2 4.16Å; L474-Y535 HydrophobicContact CB-CG 4.09Å; L474-Y535 HydrophobicContact CD1-CD1 4.13Å; L474-Y535 HydrophobicContact CD1-CD2 3.54Å; L474-Y535 HydrophobicContact CD1-CE1 4.45Å; L474-Y535 HydrophobicContact CD1-CE2 3.89Å; L474-Y535 HydrophobicContact CD1-CG 3.66Å; L474-Y535 HydrophobicContact CG-CD1 4.38Å; L474-Y535 HydrophobicContact CG-CG 4.39Å; L474-L540 HydrophobicContact CD2-CD2 4.19Å
475	D	94.9	Very high	93.8	Very high	62 Å²	62	58.7 Å²	58.7	33%	0.332	36%	0.357	S	S	.	.	H	α-helix	trans	-65.5	-43.3	176.1	-73.5	-22.2	0	0	0	111.5	C473 A478 N479 Y535	C473-D475 VanDerWaalsContact C-N 3.32Å; C473-D475 PolarHBondContact O-N 2.78Å; D475-A478 PolarHBondContact O-N 3.2Å; D475-N479 PolarHBondContact O-N 2.99Å; D475-N479 PolarHBondContact O-ND2 3.27Å; D475-N479 VanDerWaalsContact O-ND2 3.15Å; D475-Y535 VanDerWaalsContact CG-OH 3.27Å; D475-Y535 PolarHBondContact OD1-OH 3.46Å
476	E	95.6	Very high	93.7	Very high	83 Å²	83	65.5 Å²	65.5	39%	0.388	37%	0.37	S	S	.	.	H	α-helix	trans	-65.9	-41.2	177	-76.7	175.8	-170.3	0	0	112.2	T472 C473 N479 R480	T472-E476 WeakPolarHBondContact CA-OE2 3.46Å; T472-E476 WeakPolarHBondContact CB-OE2 3.13Å; T472-E476 WeakPolarHBondContact OG1-CB 3.42Å; T472-E476 PolarHBondContact OG1-OE2 2.84Å; C473-E476 PolarHBondContact O-N 3.48Å; C473-E476 PolarHBondContact SG-N 3.05Å; E476-N479 PolarHBondContact O-N 3.11Å; E476-R480 VanDerWaalsContact O-CZ 3.27Å; E476-R480 PolarHBondContact O-N 3.47Å; E476-R480 PolarHBondContact O-NH1 2.84Å
477	Y	96.9	Very high	93.7	Very high	1 Å²	1	66.4 Å²	66.4	0%	0.004	38%	0.375	C	S	.	.	H	α-helix	trans	-58.8	-49.5	170.8	-178.4	-75.5	0	0	0	110.3	C473 L474 N479 R480 M481 Q485 I488 Y489 E516 L518	C473-Y477 PolarHBondContact O-N 3.31Å; L474-Y477 PolarHBondContact O-N 3.07Å; Y477-N479 PolarHBondContact O-N 3.36Å; Y477-R480 PolarHBondContact O-N 2.7Å; Y477-M481 HydrophobicContact CD1-CG 3.9Å; Y477-M481 HydrophobicContact CD1-SD 4.07Å; Y477-M481 HydrophobicContact CE1-CG 3.69Å; Y477-M481 HydrophobicContact CE1-SD 3.94Å; Y477-M481 WeakPolarHBondContact O-CG 3.33Å; Y477-M481 PolarHBondContact O-N 3.45Å; Y477-Q485 PolarHBondContact OH-NE2 2.7Å; Y477-I488 HydrophobicContact CD1-CB 4.22Å; Y477-I488 HydrophobicContact CD1-CD1 4.31Å; Y477-I488 HydrophobicContact CD1-CG1 3.81Å; Y477-I488 HydrophobicContact CD1-CG2 3.78Å; Y477-I488 HydrophobicContact CE1-CB 3.84Å; Y477-I488 HydrophobicContact CE1-CG1 3.7Å; Y477-I488 HydrophobicContact CE1-CG2 3.64Å; Y477-I488 HydrophobicContact CE2-CG2 4.35Å; Y477-I488 HydrophobicContact CG-CG2 4.25Å; Y477-Y489 PolarHBondContact OH-N 2.78Å; Y477-E516 HydrophobicContact CD2-CB 4.36Å; Y477-E516 HydrophobicContact CD2-CG 3.77Å; Y477-E516 VanDerWaalsContact CD2-OE1 3.29Å; Y477-E516 WeakPolarHBondContact CD2-OE1 3.43Å; Y477-E516 HydrophobicContact CE2-CB 3.71Å; Y477-E516 HydrophobicContact CE2-CG 3.51Å; Y477-E516 WeakPolarHBondContact CE2-O 3.46Å; Y477-E516 PolarHBondContact OH-O 2.86Å; Y477-L518 HydrophobicContact CD2-CD1 4.22Å; Y477-L518 HydrophobicContact CD2-CD2 3.65Å; Y477-L518 HydrophobicContact CD2-CG 3.68Å; Y477-L518 HydrophobicContact CE2-CD2 4.33Å; Y477-L518 HydrophobicContact CE2-CG 3.98Å; Y477-L518 HydrophobicContact CG-CD2 4.45Å
478	A	94.7	Very high	93.7	Very high	17 Å²	17	62.8 Å²	62.8	14%	0.14	35%	0.352	C	S	.	.	H	α-helix	trans	-59.2	-35.7	-178.9	0	0	0	0	0	112.6	L474 D475 R480 M481 K538	L474-A478 VanDerWaalsContact O-CB 3.25Å; L474-A478 WeakPolarHBondContact O-CB 3.49Å; L474-A478 PolarHBondContact O-N 2.92Å; D475-A478 PolarHBondContact O-N 3.2Å; A478-R480 VanDerWaalsContact C-N 3.29Å; A478-R480 PolarHBondContact O-N 3.16Å; A478-M481 HydrophobicContact CB-SD 4.33Å; A478-M481 WeakPolarHBondContact O-CB 3.15Å; A478-M481 PolarHBondContact O-N 2.61Å; A478-K538 HydrophobicContact CB-CD 4.33Å
479	N	94.3	Very high	93.8	Very high	139 Å²	139	59.6 Å²	59.6	74%	0.743	33%	0.328	S	S	*	.	H	α-helix	trans	-69.2	-23.3	176.1	-71	-29.1	0	0	0	113.8	D475 E476 Y477	D475-N479 PolarHBondContact O-N 2.99Å; D475-N479 PolarHBondContact O-ND2 3.27Å; D475-N479 VanDerWaalsContact O-ND2 3.15Å; E476-N479 PolarHBondContact O-N 3.11Å; Y477-N479 PolarHBondContact O-N 3.36Å
480	R	94.6	Very high	94	Very high	90 Å²	90	57 Å²	57	34%	0.34	30%	0.3	S	S	.	.	H	α-helix	trans	-93.9	-6.2	177.7	-69.4	-175	-63.5	-91.9	0.3	113.7	T472 E476 Y477 A478 E516	T472-R480 PolarHBondContact OG1-NH2 3.5Å; E476-R480 VanDerWaalsContact O-CZ 3.27Å; E476-R480 PolarHBondContact O-N 3.47Å; E476-R480 PolarHBondContact O-NH1 2.84Å; Y477-R480 PolarHBondContact O-N 2.7Å; A478-R480 VanDerWaalsContact C-N 3.29Å; A478-R480 PolarHBondContact O-N 3.16Å; R480-E516 WeakPolarHBondContact CB-OE2 3.36Å; R480-E516 IonicContact CZ-OE1 3.79Å; R480-E516 IonicContact CZ-OE2 3.64Å; R480-E516 IonicContact NE-OE1 2.93Å; R480-E516 PolarHBondContact NE-OE1 3.26Å; R480-E516 IonicContact NE-OE2 2.6Å; R480-E516 PolarHBondContact NE-OE2 2.9Å; R480-E516 IonicContact NH2-OE1 3.38Å; R480-E516 PolarHBondContact NH2-OE1 3.21Å; R480-E516 IonicContact NH2-OE2 2.74Å
481	M	93.8	Very high	94.1	Very high	28 Å²	28	52.6 Å²	52.6	14%	0.138	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-62.6	141.8	179.4	-71.3	174.3	70	0	0	112.1	Y477 A478 Q485 N487 I488 K538	Y477-M481 HydrophobicContact CD1-CG 3.9Å; Y477-M481 HydrophobicContact CD1-SD 4.07Å; Y477-M481 HydrophobicContact CE1-CG 3.69Å; Y477-M481 HydrophobicContact CE1-SD 3.94Å; Y477-M481 WeakPolarHBondContact O-CG 3.33Å; Y477-M481 PolarHBondContact O-N 3.45Å; A478-M481 HydrophobicContact CB-SD 4.33Å; A478-M481 WeakPolarHBondContact O-CB 3.15Å; A478-M481 PolarHBondContact O-N 2.61Å; M481-Q485 HydrophobicContact CB-CB 4.42Å; M481-Q485 HydrophobicContact CE-CB 3.79Å; M481-Q485 HydrophobicContact CE-CG 3.53Å; M481-Q485 VanDerWaalsContact CE-O 3.25Å; M481-Q485 WeakPolarHBondContact CE-O 3.47Å; M481-N487 WeakPolarHBondContact CE-O 3.37Å; M481-I488 HydrophobicContact SD-CG1 4.1Å; M481-K538 HydrophobicContact CE-CD 3.99Å; M481-K538 HydrophobicContact CE-CG 4.28Å; M481-K538 HydrophobicContact SD-CD 3.59Å; M481-K538 VanDerWaalsContact SD-CD 3.59Å; M481-K538 HydrophobicContact SD-CG 4.49Å
482	H	90.8	Very high	94.1	Very high	91 Å²	91	51.6 Å²	51.6	42%	0.421	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-68.2	149.8	174.8	-64.8	-67.6	0	0	0	111.7	G484 Q485	H482-G484 PolarHBondContact O-N 2.99Å; H482-Q485 VanDerWaalsContact O-CB 3.31Å; H482-Q485 WeakPolarHBondContact O-CB 3.02Å; H482-Q485 PolarHBondContact O-N 3.37Å
483	P	89.1	Confident	93.9	Very high	138 Å²	138	52.4 Å²	52.4	90%	0.896	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	123.2	173.9	-25.5	34.3	0	0	0	111.9
484	G	88.6	Confident	93.7	Very high	75 Å²	75	56.7 Å²	56.7	77%	0.773	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.1	-10.6	179.8	0	0	0	0	0	115.4	H482 R486	H482-G484 PolarHBondContact O-N 2.99Å; G484-R486 PolarHBondContact O-N 3.41Å
485	Q	91.1	Very high	93.7	Very high	44 Å²	44	59.8 Å²	59.8	21%	0.206	32%	0.324	C	S	.	.			trans	-66.3	128.1	171.8	-171	-175.6	-19	0	0	110	Y477 M481 H482 N487 Y489	Y477-Q485 PolarHBondContact OH-NE2 2.7Å; M481-Q485 HydrophobicContact CB-CB 4.42Å; M481-Q485 HydrophobicContact CE-CB 3.79Å; M481-Q485 HydrophobicContact CE-CG 3.53Å; M481-Q485 VanDerWaalsContact CE-O 3.25Å; M481-Q485 WeakPolarHBondContact CE-O 3.47Å; H482-Q485 VanDerWaalsContact O-CB 3.31Å; H482-Q485 WeakPolarHBondContact O-CB 3.02Å; H482-Q485 PolarHBondContact O-N 3.37Å; Q485-N487 PolarHBondContact NE2-O 3.47Å; Q485-Y489 HydrophobicContact CG-CE2 4.5Å
486	R	92.4	Very high	93.7	Very high	201 Å²	201	58 Å²	58	76%	0.758	31%	0.313	S	S	*	.			trans	-112.1	-6.2	-178.6	-66.2	-172.9	178.9	179.9	-0.5	114.5	G484 K538 T539	G484-R486 PolarHBondContact O-N 3.41Å; R486-K538 VanDerWaalsContact O-CA 3.25Å; R486-K538 WeakPolarHBondContact O-CA 3.27Å; R486-K538 WeakPolarHBondContact O-CB 3.31Å; R486-T539 PolarHBondContact O-N 2.77Å; R486-T539 VanDerWaalsContact O-N 3.07Å
487	N	94.5	Very high	93.7	Very high	47 Å²	47	61.2 Å²	61.2	25%	0.251	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.4	-175.1	-58.4	-28.2	0	0	0	110.6	M481 Q485 Y489 T539	M481-N487 WeakPolarHBondContact CE-O 3.37Å; Q485-N487 PolarHBondContact NE2-O 3.47Å; N487-Y489 HydrophobicContact CB-CE1 3.92Å; N487-Y489 HydrophobicContact CB-CE2 4.04Å; N487-Y489 PolarHBondContact ND2-OH 3.09Å; N487-T539 CarbonylContact C-O 3.57Å; N487-T539 VanDerWaalsContact CA-O 3.26Å; N487-T539 WeakPolarHBondContact CA-O 3.37Å
488	I	96.3	Very high	93.6	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.3	168.3	-63.9	176.5	0	0	0	107	L474 Y477 M481 L518 Y535 K538 T539 L540 T541	L474-I488 HydrophobicContact CD2-CD1 4.21Å; L474-I488 HydrophobicContact CD2-CG2 4.11Å; Y477-I488 HydrophobicContact CD1-CB 4.22Å; Y477-I488 HydrophobicContact CD1-CD1 4.31Å; Y477-I488 HydrophobicContact CD1-CG1 3.81Å; Y477-I488 HydrophobicContact CD1-CG2 3.78Å; Y477-I488 HydrophobicContact CE1-CB 3.84Å; Y477-I488 HydrophobicContact CE1-CG1 3.7Å; Y477-I488 HydrophobicContact CE1-CG2 3.64Å; Y477-I488 HydrophobicContact CE2-CG2 4.35Å; Y477-I488 HydrophobicContact CG-CG2 4.25Å; M481-I488 HydrophobicContact SD-CG1 4.1Å; I488-L518 HydrophobicContact CG2-CD1 3.99Å; I488-Y535 HydrophobicContact CD1-CD1 4.11Å; I488-K538 HydrophobicContact CD1-CB 4.15Å; I488-K538 HydrophobicContact CD1-CD 4.09Å; I488-K538 HydrophobicContact CG1-CB 4.06Å; I488-K538 HydrophobicContact CG1-CD 4.23Å; I488-T539 PolarHBondContact N-O 2.8Å; I488-L540 HydrophobicContact CB-CD2 3.9Å; I488-L540 HydrophobicContact CD1-CD2 4.35Å; I488-L540 HydrophobicContact CG2-CD2 3.83Å; I488-T541 PolarHBondContact O-N 3.03Å
489	Y	96	Very high	93.6	Very high	27 Å²	27	64.3 Å²	64.3	11%	0.106	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.7	-173.8	-62.4	-73.8	0	0	0	112	Y477 Q485 N487 I515 V517 L518 T541 I543 M546	Y477-Y489 PolarHBondContact OH-N 2.78Å; Q485-Y489 HydrophobicContact CG-CE2 4.5Å; N487-Y489 HydrophobicContact CB-CE1 3.92Å; N487-Y489 HydrophobicContact CB-CE2 4.04Å; N487-Y489 PolarHBondContact ND2-OH 3.09Å; Y489-I515 HydrophobicContact CD2-CD1 3.59Å; Y489-I515 HydrophobicContact CD2-CG1 3.74Å; Y489-I515 HydrophobicContact CE2-CD1 3.57Å; Y489-I515 HydrophobicContact CE2-CG1 4.07Å; Y489-I515 HydrophobicContact CG-CD1 4.12Å; Y489-I515 HydrophobicContact CG-CG1 4.43Å; Y489-V517 WeakPolarHBondContact O-CA 3.47Å; Y489-L518 PolarHBondContact O-N 2.92Å; Y489-T541 WeakPolarHBondContact CA-O 3.3Å; Y489-I543 HydrophobicContact CD1-CG2 4.49Å; Y489-M546 HydrophobicContact CD1-SD 3.89Å; Y489-M546 HydrophobicContact CE1-CB 4.16Å; Y489-M546 HydrophobicContact CE1-CG 4.06Å; Y489-M546 HydrophobicContact CE1-SD 3.34Å; Y489-M546 WeakPolarHBondContact CE1-SD 2.84Å
490	F	96.5	Very high	93.6	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158.2	176.7	63.1	-100.2	0	0	0	112.7	L518 L520 E526 L529 L540 T541 S542 I543	F490-L518 CarbonylContact C-O 3.52Å; F490-L518 VanDerWaalsContact CA-O 3.27Å; F490-L518 WeakPolarHBondContact CA-O 3.45Å; F490-L518 HydrophobicContact CB-CB 4.09Å; F490-L520 HydrophobicContact CB-CD1 3.97Å; F490-L520 HydrophobicContact CB-CD2 4.23Å; F490-L520 HydrophobicContact CB-CG 4.09Å; F490-L520 HydrophobicContact CD2-CD1 3.43Å; F490-L520 VanDerWaalsContact CD2-CD1 3.43Å; F490-L520 HydrophobicContact CD2-CG 4.32Å; F490-L520 HydrophobicContact CE2-CD1 4.09Å; F490-L520 HydrophobicContact CG-CD1 3.85Å; F490-E526 HydrophobicContact CE2-CG 4.18Å; F490-L529 HydrophobicContact CB-CD1 4.39Å; F490-L529 HydrophobicContact CD1-CD1 3.98Å; F490-L529 HydrophobicContact CE1-CB 4.24Å; F490-L529 HydrophobicContact CE1-CD1 4.41Å; F490-L529 HydrophobicContact CG-CD1 4.11Å; F490-L529 HydrophobicContact CZ-CB 4.45Å; F490-L540 HydrophobicContact CE1-CB 4.06Å; F490-T541 VanDerWaalsContact CE1-C 3.46Å; F490-T541 PolarHBondContact N-O 3.42Å; F490-T541 VanDerWaalsContact N-O 3.17Å; F490-S542 WeakPolarHBondContact O-CA 3.42Å; F490-I543 PolarHBondContact O-N 2.83Å
491	L	95.3	Very high	93.6	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.3	173.8	173.8	63.1	0	0	0	109.5	A499 L505 V517 L518 F519 L520 I543	L491-A499 HydrophobicContact CD2-CB 4.24Å; L491-L505 HydrophobicContact CD2-CB 4.4Å; L491-V517 HydrophobicContact CB-CG1 3.86Å; L491-L518 PolarHBondContact N-O 3.44Å; L491-F519 HydrophobicContact CB-CD1 4.29Å; L491-F519 HydrophobicContact CD2-CE1 4.25Å; L491-L520 PolarHBondContact O-N 2.81Å; L491-I543 HydrophobicContact CB-CD1 3.82Å; L491-I543 HydrophobicContact CB-CG1 3.99Å; L491-I543 HydrophobicContact CD1-CD1 3.89Å; L491-I543 HydrophobicContact CD1-CG1 3.94Å; L491-I543 HydrophobicContact CD2-CD1 3.95Å; L491-I543 HydrophobicContact CG-CD1 4.08Å; L491-I543 HydrophobicContact CG-CG1 4.44Å
492	S	93.6	Very high	93.7	Very high	26 Å²	26	59.5 Å²	59.5	18%	0.182	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.7	171.6	-63.5	0	0	0	0	111	L520 E526	S492-L520 WeakPolarHBondContact CA-O 3.31Å; S492-E526 VanDerWaalsContact OG-CB 3.31Å; S492-E526 WeakPolarHBondContact OG-CB 3.38Å; S492-E526 WeakPolarHBondContact OG-CG 3.25Å
493	S	92.7	Very high	93.8	Very high	16 Å²	16	55.4 Å²	55.4	11%	0.112	31%	0.308	C	S	.	.			trans	-156.7	145.4	-179.1	176.5	0	0	0	0	109.7	N495 L498 A499 L520 Y521	S493-N495 PolarHBondContact O-N 2.82Å; S493-N495 VanDerWaalsContact O-N 3.12Å; S493-N495 PolarHBondContact OG-O 3.33Å; S493-L498 VanDerWaalsContact OG-CB 3.23Å; S493-L498 WeakPolarHBondContact OG-CB 3.38Å; S493-A499 PolarHBondContact OG-N 2.86Å; S493-L520 PolarHBondContact N-O 3.28Å; S493-Y521 VanDerWaalsContact O-CA 3.31Å; S493-Y521 WeakPolarHBondContact O-CA 3.46Å; S493-Y521 WeakPolarHBondContact O-CD1 3.16Å
494	P	91.1	Very high	94.1	Very high	99 Å²	99	49 Å²	49	64%	0.643	27%	0.266	S	S	*	.	S	Bend	trans	-61.8	-22.5	-177	-23.9	33.7	0	0	0	115.6	L498	P494-L498 HydrophobicContact CB-CD1 4.11Å; P494-L498 HydrophobicContact CG-CD1 3.96Å
495	N	94.8	Very high	94.4	Very high	64 Å²	64	45.5 Å²	45.5	34%	0.342	23%	0.23	S	C	.	.	S	Bend	trans	-161.9	170.4	178	59.5	57.2	0	0	0	111.6	S493 Q497 L498 A499 Y521	S493-N495 PolarHBondContact O-N 2.82Å; S493-N495 VanDerWaalsContact O-N 3.12Å; S493-N495 PolarHBondContact OG-O 3.33Å; N495-Q497 PolarHBondContact O-N 2.98Å; N495-Q497 WeakPolarHBondContact OD1-CB 3.36Å; N495-Q497 PolarHBondContact OD1-N 2.83Å; N495-L498 PolarHBondContact O-N 2.85Å; N495-L498 WeakPolarHBondContact OD1-CG 3.48Å; N495-L498 PolarHBondContact OD1-N 3.43Å; N495-A499 PolarHBondContact O-N 2.59Å; N495-Y521 VanDerWaalsContact C-CE1 3.41Å
496	R	95.5	Very high	94.5	Very high	25 Å²	25	44.7 Å²	44.7	9%	0.094	23%	0.226	C	C	.	.	H	α-helix	trans	-54.2	-47.8	179.6	-177.9	56.8	173.7	-141.2	14.8	113.2	E462 S463 L466 P468 L498 A499 E500 F519 Y521	E462-R496 VanDerWaalsContact OE2-CD 3.24Å; E462-R496 WeakPolarHBondContact OE2-CD 3.27Å; E462-R496 IonicContact OE2-CZ 3.83Å; E462-R496 IonicContact OE2-NE 3.5Å; E462-R496 IonicContact OE2-NH1 3.17Å; E462-R496 PolarHBondContact OE2-NH1 2.71Å; E462-R496 VanDerWaalsContact OE2-NH1 3.07Å; S463-R496 PolarHBondContact O-NH1 2.83Å; S463-R496 PolarHBondContact O-NH2 3.02Å; L466-R496 PolarHBondContact O-NH2 3.25Å; P468-R496 HydrophobicContact CB-CG 4.37Å; R496-L498 PolarHBondContact O-N 2.93Å; R496-A499 WeakPolarHBondContact O-CB 3.12Å; R496-A499 PolarHBondContact O-N 2.85Å; R496-A499 VanDerWaalsContact O-N 3.11Å; R496-E500 HydrophobicContact CG-CG 4.47Å; R496-E500 IonicContact CZ-OE1 2.71Å; R496-E500 VanDerWaalsContact NE-CD 3.26Å; R496-E500 IonicContact NE-OE1 3.81Å; R496-E500 PolarHBondContact NE-OE1 3.48Å; R496-E500 IonicContact NH2-OE1 2.77Å; R496-E500 PolarHBondContact NH2-OE1 3.19Å; R496-E500 PolarHBondContact O-N 3.23Å; R496-F519 VanDerWaalsContact CD-CD2 3.45Å; R496-F519 VanDerWaalsContact CD-CE2 3.46Å; R496-F519 VanDerWaalsContact NH1-CD2 3.34Å; R496-Y521 WeakPolarHBondContact CA-OH 3.29Å; R496-Y521 HydrophobicContact CB-CE1 4.47Å; R496-Y521 VanDerWaalsContact CB-OH 3.29Å; R496-Y521 WeakPolarHBondContact CB-OH 3.37Å; R496-Y521 VanDerWaalsContact CD-OH 3.26Å; R496-Y521 WeakPolarHBondContact CD-OH 3.42Å; R496-Y521 VanDerWaalsContact N-CE1 3.34Å
497	Q	95.5	Very high	94.5	Very high	151 Å²	151	35.2 Å²	35.2	71%	0.706	19%	0.19	S	C	*	.	H	α-helix	trans	-59.2	-48	-176.4	-177.9	-177.3	-3.4	0	0	111.4	N495 A499 E500 S501	N495-Q497 PolarHBondContact O-N 2.98Å; N495-Q497 WeakPolarHBondContact OD1-CB 3.36Å; N495-Q497 PolarHBondContact OD1-N 2.83Å; Q497-A499 VanDerWaalsContact C-N 3.3Å; Q497-A499 PolarHBondContact O-N 2.91Å; Q497-E500 PolarHBondContact O-N 2.86Å; Q497-S501 WeakPolarHBondContact O-CB 3.33Å; Q497-S501 PolarHBondContact O-N 3.22Å; Q497-S501 PolarHBondContact O-OG 3Å
498	L	94.2	Very high	94.4	Very high	82 Å²	82	33.2 Å²	33.2	43%	0.429	18%	0.18	S	C	.	.	H	α-helix	trans	-67.3	-31.9	177.5	-69.1	175.7	0	0	0	112.4	S493 P494 N495 R496 S502	S493-L498 VanDerWaalsContact OG-CB 3.23Å; S493-L498 WeakPolarHBondContact OG-CB 3.38Å; P494-L498 HydrophobicContact CB-CD1 4.11Å; P494-L498 HydrophobicContact CG-CD1 3.96Å; N495-L498 PolarHBondContact O-N 2.85Å; N495-L498 WeakPolarHBondContact OD1-CG 3.48Å; N495-L498 PolarHBondContact OD1-N 3.43Å; R496-L498 PolarHBondContact O-N 2.93Å; L498-S502 PolarHBondContact O-N 2.85Å
499	A	95.2	Very high	94.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.6	-44.6	176.6	0	0	0	0	0	111.3	L491 S493 N495 R496 Q497 S502 L505 F519	L491-A499 HydrophobicContact CD2-CB 4.24Å; S493-A499 PolarHBondContact OG-N 2.86Å; N495-A499 PolarHBondContact O-N 2.59Å; R496-A499 WeakPolarHBondContact O-CB 3.12Å; R496-A499 PolarHBondContact O-N 2.85Å; R496-A499 VanDerWaalsContact O-N 3.11Å; Q497-A499 VanDerWaalsContact C-N 3.3Å; Q497-A499 PolarHBondContact O-N 2.91Å; A499-S502 WeakPolarHBondContact O-CB 3.47Å; A499-S502 PolarHBondContact O-N 3.36Å; A499-L505 WeakPolarHBondContact O-CD2 3.36Å; A499-F519 HydrophobicContact CB-CB 4.45Å; A499-F519 HydrophobicContact CB-CD1 3.61Å; A499-F519 HydrophobicContact CB-CD2 4.03Å; A499-F519 HydrophobicContact CB-CE1 3.66Å; A499-F519 HydrophobicContact CB-CE2 4.07Å; A499-F519 HydrophobicContact CB-CG 3.8Å; A499-F519 HydrophobicContact CB-CZ 3.86Å
500	E	94.8	Very high	93.9	Very high	82 Å²	82	40.5 Å²	40.5	38%	0.383	21%	0.21	S	C	.	.	H	α-helix	trans	-69.1	-34.4	178.1	-72.7	-174.9	158.2	0	0	113.2	R496 Q497 S502 F519	R496-E500 HydrophobicContact CG-CG 4.47Å; R496-E500 IonicContact CZ-OE1 2.71Å; R496-E500 VanDerWaalsContact NE-CD 3.26Å; R496-E500 IonicContact NE-OE1 3.81Å; R496-E500 PolarHBondContact NE-OE1 3.48Å; R496-E500 IonicContact NH2-OE1 2.77Å; R496-E500 PolarHBondContact NH2-OE1 3.19Å; R496-E500 PolarHBondContact O-N 3.23Å; Q497-E500 PolarHBondContact O-N 2.86Å; E500-S502 PolarHBondContact O-N 2.74Å; E500-F519 HydrophobicContact CG-CE2 3.97Å; E500-F519 HydrophobicContact CG-CZ 4.13Å
501	S	94	Very high	93.4	Very high	63 Å²	63	46.1 Å²	46.1	44%	0.441	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	15	174.9	75.2	0	0	0	0	113.3	Q497 H597	Q497-S501 WeakPolarHBondContact O-CB 3.33Å; Q497-S501 PolarHBondContact O-N 3.22Å; Q497-S501 PolarHBondContact O-OG 3Å; S501-H597 PolarHBondContact O-CE1 2.9Å; S501-H597 PolarHBondContact O-NE2 3Å; S501-H597 VanDerWaalsContact O-NE2 3.13Å
502	S	95	Very high	93	Very high	12 Å²	12	49 Å²	49	8%	0.084	25%	0.25	C	C	.	.			trans	-74.5	135.1	-176.8	175	0	0	0	0	111.9	L498 A499 E500 Y504 L505 E506	L498-S502 PolarHBondContact O-N 2.85Å; A499-S502 WeakPolarHBondContact O-CB 3.47Å; A499-S502 PolarHBondContact O-N 3.36Å; E500-S502 PolarHBondContact O-N 2.74Å; S502-Y504 PolarHBondContact O-N 3.4Å; S502-Y504 WeakPolarHBondContact OG-CD2 3.32Å; S502-Y504 PolarHBondContact OG-N 3.26Å; S502-L505 PolarHBondContact O-N 2.99Å; S502-E506 PolarHBondContact O-N 3.3Å; S502-E506 VanDerWaalsContact O-N 3.08Å
503	P	94.6	Very high	92.8	Very high	4 Å²	4	52.2 Å²	52.2	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-28.1	172.7	27.2	-36.2	0	0	0	112.4	A507 L594 H597 F600 Q678	P503-A507 VanDerWaalsContact O-CB 3.31Å; P503-A507 WeakPolarHBondContact O-CB 3.48Å; P503-A507 PolarHBondContact O-N 3.32Å; P503-L594 HydrophobicContact CB-CD2 4.03Å; P503-L594 WeakPolarHBondContact O-CD2 3.22Å; P503-H597 HydrophobicContact CB-CB 4.11Å; P503-F600 HydrophobicContact CB-CB 3.95Å; P503-F600 HydrophobicContact CG-CB 4.09Å; P503-Q678 HydrophobicContact CG-CB 4.41Å
504	Y	94.6	Very high	92.6	Very high	5 Å²	5	57 Å²	57	2%	0.02	29%	0.294	C	S	.	.	H	α-helix	trans	-69.8	-39.8	177.2	-55	-73.4	0	0	0	111.5	S502 A507 V508 E544 I547 F600 V601 A679	S502-Y504 PolarHBondContact O-N 3.4Å; S502-Y504 WeakPolarHBondContact OG-CD2 3.32Å; S502-Y504 PolarHBondContact OG-N 3.26Å; Y504-A507 PolarHBondContact O-N 2.97Å; Y504-V508 PolarHBondContact O-N 3.42Å; Y504-V508 VanDerWaalsContact O-N 3.13Å; Y504-E544 HydrophobicContact CD1-CB 4.27Å; Y504-E544 HydrophobicContact CD1-CG 3.67Å; Y504-E544 HydrophobicContact CD2-CG 4.08Å; Y504-E544 HydrophobicContact CE1-CB 4.42Å; Y504-E544 HydrophobicContact CE1-CG 3.9Å; Y504-E544 HydrophobicContact CE2-CG 4.33Å; Y504-E544 HydrophobicContact CG-CG 3.77Å; Y504-I547 HydrophobicContact CD1-CD1 3.92Å; Y504-I547 HydrophobicContact CG-CD1 4.45Å; Y504-F600 AromaticContact CD1-CD2 3.94Å; Y504-F600 HydrophobicContact CD1-CD2 3.94Å; Y504-F600 HydrophobicContact CD1-CE2 4.29Å; Y504-F600 AromaticContact CE1-CD2 3.54Å; Y504-F600 HydrophobicContact CE1-CD2 3.54Å; Y504-F600 HydrophobicContact CE1-CE2 4.16Å; Y504-F600 HydrophobicContact CE1-CG 4.47Å; Y504-V601 WeakPolarHBondContact CE1-O 3.44Å; Y504-V601 PolarHBondContact OH-O 3.33Å; Y504-A679 VanDerWaalsContact OH-CA 3.22Å; Y504-A679 WeakPolarHBondContact OH-CA 3.38Å; Y504-A679 WeakPolarHBondContact OH-CB 3.12Å
505	L	94.6	Very high	92.6	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-68.3	-40.7	176.8	-178	62.3	0	0	0	110.9	T464 L491 A499 S502 V508 R509 V517 F519 I543	T464-L505 HydrophobicContact CG2-CD1 3.83Å; T464-L505 HydrophobicContact CG2-CD2 4.11Å; L491-L505 HydrophobicContact CD2-CB 4.4Å; A499-L505 WeakPolarHBondContact O-CD2 3.36Å; S502-L505 PolarHBondContact O-N 2.99Å; L505-V508 PolarHBondContact O-N 3.34Å; L505-R509 HydrophobicContact CD1-CG 4.23Å; L505-R509 HydrophobicContact CG-CG 4.44Å; L505-R509 WeakPolarHBondContact O-CB 3.5Å; L505-R509 WeakPolarHBondContact O-CG 3.48Å; L505-R509 PolarHBondContact O-N 3.43Å; L505-V517 HydrophobicContact CD1-CB 4.36Å; L505-V517 HydrophobicContact CD1-CG2 4.02Å; L505-F519 HydrophobicContact CD2-CE1 4.2Å; L505-F519 HydrophobicContact CD2-CZ 3.92Å; L505-I543 HydrophobicContact CB-CD1 4.34Å
506	E	94.2	Very high	92.7	Very high	27 Å²	27	50.4 Å²	50.4	13%	0.126	25%	0.253	C	S	.	.	H	α-helix	trans	-57	-50.9	172.2	179.5	-175.9	-160.5	0	0	111.4	S502 V508 R509 K510 S595 T596 H597	S502-E506 PolarHBondContact O-N 3.3Å; S502-E506 VanDerWaalsContact O-N 3.08Å; E506-V508 VanDerWaalsContact C-N 3.25Å; E506-V508 PolarHBondContact O-N 3.39Å; E506-R509 PolarHBondContact O-N 2.99Å; E506-K510 PolarHBondContact O-N 3.48Å; E506-S595 WeakPolarHBondContact OE1-CA 3.31Å; E506-S595 VanDerWaalsContact OE1-CB 3.25Å; E506-S595 WeakPolarHBondContact OE1-CB 3.11Å; E506-S595 PolarHBondContact OE1-N 3.3Å; E506-S595 PolarHBondContact OE1-OG 3.46Å; E506-T596 PolarHBondContact OE1-N 3.35Å; E506-T596 PolarHBondContact OE1-OG1 3.45Å; E506-T596 PolarHBondContact OE2-OG1 2.89Å; E506-H597 IonicContact OE2-CE1 2.71Å; E506-H597 IonicContact OE2-CG 2.86Å; E506-H597 IonicContact OE2-ND1 3.74Å; E506-H597 PolarHBondContact OE2-ND1 3.1Å
507	A	92.4	Very high	92.7	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-55.4	-41.7	-179.3	0	0	0	0	0	112.7	P503 Y504 I547 R593 L594	P503-A507 VanDerWaalsContact O-CB 3.31Å; P503-A507 WeakPolarHBondContact O-CB 3.48Å; P503-A507 PolarHBondContact O-N 3.32Å; Y504-A507 PolarHBondContact O-N 2.97Å; A507-I547 HydrophobicContact CB-CD1 3.84Å; A507-I547 HydrophobicContact CB-CG1 4.42Å; A507-R593 WeakPolarHBondContact CA-O 3.28Å; A507-R593 HydrophobicContact CB-CB 3.74Å; A507-L594 HydrophobicContact CB-CD2 4.38Å
508	V	92.1	Very high	92.8	Very high	5 Å²	5	42 Å²	42	3%	0.03	22%	0.215	C	C	.	.	H	α-helix	trans	-74	-45.1	179.6	163.9	0	0	0	0	111.7	Y504 L505 E506 K510 K511 N512 I515 I543 M546 I547	Y504-V508 PolarHBondContact O-N 3.42Å; Y504-V508 VanDerWaalsContact O-N 3.13Å; L505-V508 PolarHBondContact O-N 3.34Å; E506-V508 VanDerWaalsContact C-N 3.25Å; E506-V508 PolarHBondContact O-N 3.39Å; V508-K510 VanDerWaalsContact C-N 3.3Å; V508-K510 PolarHBondContact O-N 3.49Å; V508-K511 PolarHBondContact O-N 3.14Å; V508-K511 VanDerWaalsContact O-N 3.14Å; V508-N512 PolarHBondContact O-N 3.26Å; V508-I515 HydrophobicContact CG1-CB 4.37Å; V508-I515 HydrophobicContact CG1-CD1 3.82Å; V508-I515 HydrophobicContact CG1-CG1 4.41Å; V508-I515 HydrophobicContact CG1-CG2 3.26Å; V508-I543 HydrophobicContact CG2-CB 4.12Å; V508-M546 HydrophobicContact CG2-SD 4.33Å; V508-I547 HydrophobicContact CG2-CD1 3.97Å; V508-I547 HydrophobicContact CG2-CG1 3.81Å
509	R	92	Very high	93	Very high	89 Å²	89	38.1 Å²	38.1	34%	0.336	19%	0.194	S	C	.	.	H	α-helix	trans	-63.7	-33	178.4	-79	179.7	168	170.3	-5.9	113.1	L505 E506 K511 N512 P513	L505-R509 HydrophobicContact CD1-CG 4.23Å; L505-R509 HydrophobicContact CG-CG 4.44Å; L505-R509 WeakPolarHBondContact O-CB 3.5Å; L505-R509 WeakPolarHBondContact O-CG 3.48Å; L505-R509 PolarHBondContact O-N 3.43Å; E506-R509 PolarHBondContact O-N 2.99Å; R509-K511 PolarHBondContact O-N 2.86Å; R509-N512 CarbonylContact O-C 3.56Å; R509-P513 WeakPolarHBondContact O-CA 3.38Å; R509-P513 WeakPolarHBondContact O-CD 3.38Å; R509-P513 WeakPolarHBondContact O-CG 3.11Å; R509-P513 VanDerWaalsContact O-N 3.15Å
510	K	88.5	Confident	93	Very high	91 Å²	91	38.2 Å²	38.2	40%	0.396	20%	0.195	S	C	.	.	H	α-helix	trans	-63.5	-32	176	-164.2	174.3	-174.1	-177.8	0	112.2	E506 V508 Q592 R593 L594 E638	E506-K510 PolarHBondContact O-N 3.48Å; V508-K510 VanDerWaalsContact C-N 3.3Å; V508-K510 PolarHBondContact O-N 3.49Å; K510-Q592 VanDerWaalsContact CD-O 3.24Å; K510-Q592 WeakPolarHBondContact CD-O 3.46Å; K510-Q592 WeakPolarHBondContact CE-O 3.45Å; K510-Q592 PolarHBondContact NZ-O 2.91Å; K510-R593 WeakPolarHBondContact CD-O 3.45Å; K510-L594 PolarHBondContact NZ-O 2.98Å; K510-E638 IonicContact NZ-OE2 2.7Å
511	K	86.3	Confident	92.9	Very high	121 Å²	121	37.2 Å²	37.2	53%	0.526	19%	0.188	S	C	.	.	H	α-helix	trans	-85	-42.6	176.6	-173.4	179	-176.9	178.6	0	112.3	V508 R509 D550	V508-K511 PolarHBondContact O-N 3.14Å; V508-K511 VanDerWaalsContact O-N 3.14Å; R509-K511 PolarHBondContact O-N 2.86Å; K511-D550 IonicContact NZ-OD1 2.89Å; K511-D550 PolarHBondContact NZ-OD1 2.91Å; K511-D550 IonicContact NZ-OD2 3.83Å; K511-D550 PolarHBondContact NZ-OD2 3.15Å
512	N	87.8	Confident	92.7	Very high	65 Å²	65	38.3 Å²	38.3	35%	0.348	19%	0.186	S	C	.	.			trans	-141.5	98.3	179.1	-173.6	-2.7	0	0	0	109.8	V508 R509 D514 I515	V508-N512 PolarHBondContact O-N 3.26Å; R509-N512 CarbonylContact O-C 3.56Å; N512-D514 PolarHBondContact O-N 3.04Å; N512-D514 PolarHBondContact OD1-N 3.17Å; N512-I515 HydrophobicContact CB-CB 4.43Å; N512-I515 WeakPolarHBondContact O-CG2 3.48Å; N512-I515 PolarHBondContact O-N 3.01Å
513	P	88.8	Confident	92.1	Very high	92 Å²	92	41 Å²	41	60%	0.597	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.1	-176.5	-26.2	35.3	0	0	0	114.6	R509	R509-P513 WeakPolarHBondContact O-CA 3.38Å; R509-P513 WeakPolarHBondContact O-CD 3.38Å; R509-P513 WeakPolarHBondContact O-CG 3.11Å; R509-P513 VanDerWaalsContact O-N 3.15Å
514	D	89.3	Confident	91.6	Very high	118 Å²	118	43.6 Å²	43.6	63%	0.631	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	1	-170.5	-59.4	-36.8	0	0	0	113.4	N512 E516	N512-D514 PolarHBondContact O-N 3.04Å; N512-D514 PolarHBondContact OD1-N 3.17Å; D514-E516 PolarHBondContact O-N 3.3Å
515	I	91.2	Very high	91.5	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.041	21%	0.213	C	C	.	.			trans	-68.1	119.9	-177.9	-167.8	165.4	0	0	0	112.1	Y489 V508 N512 M546	Y489-I515 HydrophobicContact CD2-CD1 3.59Å; Y489-I515 HydrophobicContact CD2-CG1 3.74Å; Y489-I515 HydrophobicContact CE2-CD1 3.57Å; Y489-I515 HydrophobicContact CE2-CG1 4.07Å; Y489-I515 HydrophobicContact CG-CD1 4.12Å; Y489-I515 HydrophobicContact CG-CG1 4.43Å; V508-I515 HydrophobicContact CG1-CB 4.37Å; V508-I515 HydrophobicContact CG1-CD1 3.82Å; V508-I515 HydrophobicContact CG1-CG1 4.41Å; V508-I515 HydrophobicContact CG1-CG2 3.26Å; N512-I515 HydrophobicContact CB-CB 4.43Å; N512-I515 WeakPolarHBondContact O-CG2 3.48Å; N512-I515 PolarHBondContact O-N 3.01Å; I515-M546 HydrophobicContact CD1-CE 3.99Å; I515-M546 HydrophobicContact CD1-SD 3.97Å
516	E	95.7	Very high	91.3	Very high	16 Å²	16	44 Å²	44	8%	0.075	22%	0.215	C	C	.	.			trans	-76.5	131.9	174.3	-167.8	175.8	159.1	0	0	110.3	S463 T464 A465 Y477 R480 D514	S463-E516 WeakPolarHBondContact CB-OE1 3.24Å; S463-E516 WeakPolarHBondContact OG-CG 3.18Å; S463-E516 PolarHBondContact OG-OE1 3.01Å; T464-E516 WeakPolarHBondContact OG1-CA 3.42Å; A465-E516 HydrophobicContact CB-CG 3.78Å; Y477-E516 HydrophobicContact CD2-CB 4.36Å; Y477-E516 HydrophobicContact CD2-CG 3.77Å; Y477-E516 VanDerWaalsContact CD2-OE1 3.29Å; Y477-E516 WeakPolarHBondContact CD2-OE1 3.43Å; Y477-E516 HydrophobicContact CE2-CB 3.71Å; Y477-E516 HydrophobicContact CE2-CG 3.51Å; Y477-E516 WeakPolarHBondContact CE2-O 3.46Å; Y477-E516 PolarHBondContact OH-O 2.86Å; R480-E516 WeakPolarHBondContact CB-OE2 3.36Å; R480-E516 IonicContact CZ-OE1 3.79Å; R480-E516 IonicContact CZ-OE2 3.64Å; R480-E516 IonicContact NE-OE1 2.93Å; R480-E516 PolarHBondContact NE-OE1 3.26Å; R480-E516 IonicContact NE-OE2 2.6Å; R480-E516 PolarHBondContact NE-OE2 2.9Å; R480-E516 IonicContact NH2-OE1 3.38Å; R480-E516 PolarHBondContact NH2-OE1 3.21Å; R480-E516 IonicContact NH2-OE2 2.74Å; D514-E516 PolarHBondContact O-N 3.3Å
517	V	96.9	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.2	179.1	-176.8	0	0	0	0	108.9	S463 T464 Y489 L491 L505 F519 I543	S463-V517 WeakPolarHBondContact CA-O 3.39Å; T464-V517 HydrophobicContact CG2-CB 3.82Å; T464-V517 HydrophobicContact CG2-CG2 4.46Å; T464-V517 PolarHBondContact N-O 3.08Å; T464-V517 PolarHBondContact OG1-N 3.5Å; Y489-V517 WeakPolarHBondContact O-CA 3.47Å; L491-V517 HydrophobicContact CB-CG1 3.86Å; L505-V517 HydrophobicContact CD1-CB 4.36Å; L505-V517 HydrophobicContact CD1-CG2 4.02Å; V517-F519 HydrophobicContact CG1-CE1 4.46Å; V517-I543 HydrophobicContact CB-CG2 4.45Å; V517-I543 HydrophobicContact CG1-CD1 4.39Å; V517-I543 HydrophobicContact CG1-CG2 3.75Å; V517-I543 HydrophobicContact CG2-CG2 3.79Å
518	L	97.6	Very high	90.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	140.3	172.3	-65.4	177.2	0	0	0	110.8	W461 E462 T472 L474 Y477 I488 Y489 F490 L491 L520	W461-L518 HydrophobicContact CB-CD2 4.43Å; W461-L518 HydrophobicContact CE3-CD1 4.43Å; E462-L518 CarbonylContact O-C 3.56Å; E462-L518 WeakPolarHBondContact O-CA 3.44Å; T472-L518 HydrophobicContact CG2-CD2 3.82Å; L474-L518 HydrophobicContact CD2-CD1 3.83Å; Y477-L518 HydrophobicContact CD2-CD1 4.22Å; Y477-L518 HydrophobicContact CD2-CD2 3.65Å; Y477-L518 HydrophobicContact CD2-CG 3.68Å; Y477-L518 HydrophobicContact CE2-CD2 4.33Å; Y477-L518 HydrophobicContact CE2-CG 3.98Å; Y477-L518 HydrophobicContact CG-CD2 4.45Å; I488-L518 HydrophobicContact CG2-CD1 3.99Å; Y489-L518 PolarHBondContact O-N 2.92Å; F490-L518 CarbonylContact C-O 3.52Å; F490-L518 VanDerWaalsContact CA-O 3.27Å; F490-L518 WeakPolarHBondContact CA-O 3.45Å; F490-L518 HydrophobicContact CB-CB 4.09Å; L491-L518 PolarHBondContact N-O 3.44Å; L518-L520 HydrophobicContact CB-CD2 4.42Å
519	F	97.4	Very high	90.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.1	176.2	-64.6	-30.9	0	0	0	111.4	E462 T464 L491 R496 A499 E500 L505 V517 Y521	E462-F519 HydrophobicContact CB-CB 4.35Å; E462-F519 HydrophobicContact CB-CD2 4.45Å; E462-F519 PolarHBondContact O-N 2.66Å; T464-F519 HydrophobicContact CG2-CE1 3.66Å; T464-F519 HydrophobicContact CG2-CE2 4.06Å; T464-F519 HydrophobicContact CG2-CZ 3.32Å; L491-F519 HydrophobicContact CB-CD1 4.29Å; L491-F519 HydrophobicContact CD2-CE1 4.25Å; R496-F519 VanDerWaalsContact CD-CD2 3.45Å; R496-F519 VanDerWaalsContact CD-CE2 3.46Å; R496-F519 VanDerWaalsContact NH1-CD2 3.34Å; A499-F519 HydrophobicContact CB-CB 4.45Å; A499-F519 HydrophobicContact CB-CD1 3.61Å; A499-F519 HydrophobicContact CB-CD2 4.03Å; A499-F519 HydrophobicContact CB-CE1 3.66Å; A499-F519 HydrophobicContact CB-CE2 4.07Å; A499-F519 HydrophobicContact CB-CG 3.8Å; A499-F519 HydrophobicContact CB-CZ 3.86Å; E500-F519 HydrophobicContact CG-CE2 3.97Å; E500-F519 HydrophobicContact CG-CZ 4.13Å; L505-F519 HydrophobicContact CD2-CE1 4.2Å; L505-F519 HydrophobicContact CD2-CZ 3.92Å; V517-F519 HydrophobicContact CG1-CE1 4.46Å; F519-Y521 HydrophobicContact CB-CD1 4.41Å; F519-Y521 HydrophobicContact CB-CE1 3.56Å; F519-Y521 HydrophobicContact CG-CE1 4.42Å
520	L	95.7	Very high	90.7	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	108.3	-177.8	-43.2	-176.9	0	0	0	109.2	W461 F490 L491 S492 S493 L518 D525 L529	W461-L520 HydrophobicContact CD2-CD2 4.3Å; W461-L520 HydrophobicContact CG-CD2 3.85Å; F490-L520 HydrophobicContact CB-CD1 3.97Å; F490-L520 HydrophobicContact CB-CD2 4.23Å; F490-L520 HydrophobicContact CB-CG 4.09Å; F490-L520 HydrophobicContact CD2-CD1 3.43Å; F490-L520 VanDerWaalsContact CD2-CD1 3.43Å; F490-L520 HydrophobicContact CD2-CG 4.32Å; F490-L520 HydrophobicContact CE2-CD1 4.09Å; F490-L520 HydrophobicContact CG-CD1 3.85Å; L491-L520 PolarHBondContact O-N 2.81Å; S492-L520 WeakPolarHBondContact CA-O 3.31Å; S493-L520 PolarHBondContact N-O 3.28Å; L518-L520 HydrophobicContact CB-CD2 4.42Å; L520-D525 HydrophobicContact CB-CB 3.74Å; L520-D525 HydrophobicContact CD1-CB 4.13Å; L520-D525 HydrophobicContact CD2-CB 4.5Å; L520-D525 HydrophobicContact CG-CB 4.35Å; L520-L529 HydrophobicContact CD1-CD1 3.68Å; L520-L529 HydrophobicContact CD1-CG 4.48Å; L520-L529 HydrophobicContact CD2-CD1 3.75Å; L520-L529 HydrophobicContact CG-CD1 4.38Å
521	Y	93.2	Very high	90.8	Very high	61 Å²	61	41.7 Å²	41.7	24%	0.239	21%	0.211	C	C	.	.			trans	-90.9	-31.1	-175.6	-55.6	-36.6	0	0	0	113.4	E462 S493 N495 R496 F519	E462-Y521 HydrophobicContact CB-CE2 4.13Å; E462-Y521 WeakPolarHBondContact CB-OH 3.5Å; E462-Y521 HydrophobicContact CG-CE2 3.81Å; E462-Y521 PolarHBondContact OE2-OH 3.32Å; S493-Y521 VanDerWaalsContact O-CA 3.31Å; S493-Y521 WeakPolarHBondContact O-CA 3.46Å; S493-Y521 WeakPolarHBondContact O-CD1 3.16Å; N495-Y521 VanDerWaalsContact C-CE1 3.41Å; R496-Y521 WeakPolarHBondContact CA-OH 3.29Å; R496-Y521 HydrophobicContact CB-CE1 4.47Å; R496-Y521 VanDerWaalsContact CB-OH 3.29Å; R496-Y521 WeakPolarHBondContact CB-OH 3.37Å; R496-Y521 VanDerWaalsContact CD-OH 3.26Å; R496-Y521 WeakPolarHBondContact CD-OH 3.42Å; R496-Y521 VanDerWaalsContact N-CE1 3.34Å; F519-Y521 HydrophobicContact CB-CD1 4.41Å; F519-Y521 HydrophobicContact CB-CE1 3.56Å; F519-Y521 HydrophobicContact CG-CE1 4.42Å
522	E	89.6	Confident	91.1	Very high	86 Å²	86	35.9 Å²	35.9	40%	0.402	19%	0.185	S	C	.	.	S	Bend	trans	-80.2	138.4	-178.2	-66.3	-68	137.6	0	0	111	Y524 D525	E522-Y524 HydrophobicContact CB-CD1 4.41Å; E522-Y524 HydrophobicContact CB-CE1 3.87Å; E522-Y524 HydrophobicContact CB-CE2 4.15Å; E522-Y524 HydrophobicContact CG-CE1 4.45Å; E522-Y524 PolarHBondContact O-N 2.97Å; E522-Y524 VanDerWaalsContact OE2-CE1 3.26Å; E522-Y524 WeakPolarHBondContact OE2-CE1 3.32Å; E522-Y524 VanDerWaalsContact OE2-CZ 3.27Å; E522-Y524 PolarHBondContact OE2-OH 3.39Å; E522-D525 WeakPolarHBondContact O-CB 3.39Å; E522-D525 PolarHBondContact O-N 2.91Å; E522-D525 VanDerWaalsContact O-N 3.08Å
523	P	82.2	Confident	91.3	Very high	69 Å²	69	36.1 Å²	36.1	45%	0.448	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-16.4	-170.7	21.7	-30.6	0	0	0	114.8	R614	P523-R614 PolarHBondContact O-NH1 3.26Å
524	Y	84.6	Confident	91.6	Very high	59 Å²	59	35.6 Å²	35.6	23%	0.231	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-9.6	-180	44.7	-84.1	0	0	0	113.2	K440 E522 E526 L527 V528	K440-Y524 HydrophobicContact CB-CD2 4.44Å; K440-Y524 HydrophobicContact CB-CE2 4.5Å; K440-Y524 HydrophobicContact CD-CD2 3.71Å; K440-Y524 HydrophobicContact CD-CE2 3.3Å; E522-Y524 HydrophobicContact CB-CD1 4.41Å; E522-Y524 HydrophobicContact CB-CE1 3.87Å; E522-Y524 HydrophobicContact CB-CE2 4.15Å; E522-Y524 HydrophobicContact CG-CE1 4.45Å; E522-Y524 PolarHBondContact O-N 2.97Å; E522-Y524 VanDerWaalsContact OE2-CE1 3.26Å; E522-Y524 WeakPolarHBondContact OE2-CE1 3.32Å; E522-Y524 VanDerWaalsContact OE2-CZ 3.27Å; E522-Y524 PolarHBondContact OE2-OH 3.39Å; Y524-E526 VanDerWaalsContact C-N 3.26Å; Y524-E526 PolarHBondContact O-N 3.41Å; Y524-L527 PolarHBondContact O-N 3.26Å; Y524-L527 VanDerWaalsContact O-N 3.16Å; Y524-V528 VanDerWaalsContact O-CG2 3.23Å; Y524-V528 WeakPolarHBondContact O-CG2 3.08Å; Y524-V528 PolarHBondContact O-N 3.5Å
525	D	91.5	Very high	91.8	Very high	5 Å²	5	30 Å²	30	3%	0.027	15%	0.152	C	C	.	.	H	α-helix	trans	-60	-39	-179.2	-79.8	-7.4	0	0	0	112.4	K440 W461 L520 E522 L527 V528 L529	K440-D525 WeakPolarHBondContact CE-OD1 3.27Å; K440-D525 IonicContact NZ-OD1 2.97Å; K440-D525 PolarHBondContact NZ-OD1 3.42Å; K440-D525 IonicContact NZ-OD2 2.76Å; W461-D525 PolarHBondContact NE1-OD2 2.99Å; L520-D525 HydrophobicContact CB-CB 3.74Å; L520-D525 HydrophobicContact CD1-CB 4.13Å; L520-D525 HydrophobicContact CD2-CB 4.5Å; L520-D525 HydrophobicContact CG-CB 4.35Å; E522-D525 WeakPolarHBondContact O-CB 3.39Å; E522-D525 PolarHBondContact O-N 2.91Å; E522-D525 VanDerWaalsContact O-N 3.08Å; D525-L527 VanDerWaalsContact C-N 3.35Å; D525-L527 PolarHBondContact O-N 3.21Å; D525-V528 PolarHBondContact O-N 3.21Å; D525-L529 WeakPolarHBondContact O-CG 3.18Å; D525-L529 PolarHBondContact O-N 3.1Å
526	E	89.6	Confident	92	Very high	9 Å²	9	33.4 Å²	33.4	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-58.1	-48.9	176.8	-162.7	169.5	-164.8	0	0	111.3	F490 S492 Y524 V528 L529 M530 G607 R610	F490-E526 HydrophobicContact CE2-CG 4.18Å; S492-E526 VanDerWaalsContact OG-CB 3.31Å; S492-E526 WeakPolarHBondContact OG-CB 3.38Å; S492-E526 WeakPolarHBondContact OG-CG 3.25Å; Y524-E526 VanDerWaalsContact C-N 3.26Å; Y524-E526 PolarHBondContact O-N 3.41Å; E526-V528 VanDerWaalsContact C-N 3.33Å; E526-V528 PolarHBondContact O-N 3.1Å; E526-L529 PolarHBondContact O-N 2.75Å; E526-M530 HydrophobicContact CG-SD 4.35Å; E526-M530 WeakPolarHBondContact O-CB 3.46Å; E526-M530 WeakPolarHBondContact O-CG 3.49Å; E526-M530 PolarHBondContact O-N 2.66Å; E526-G607 WeakPolarHBondContact OE1-CA 3.09Å; E526-G607 PolarHBondContact OE1-N 3Å; E526-R610 VanDerWaalsContact CD-NH1 3.35Å; E526-R610 IonicContact OE1-CZ 3.67Å; E526-R610 IonicContact OE1-NH1 3.9Å; E526-R610 PolarHBondContact OE1-NH1 2.95Å; E526-R610 VanDerWaalsContact OE2-CD 3.28Å; E526-R610 WeakPolarHBondContact OE2-CD 3.43Å; E526-R610 IonicContact OE2-NH1 3.94Å; E526-R610 PolarHBondContact OE2-NH1 3.1Å
527	L	87.2	Confident	91.8	Very high	27 Å²	27	41.4 Å²	41.4	14%	0.141	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-42.2	178.2	178.4	67.4	0	0	0	111.1	Y524 D525 M530 Q531	Y524-L527 PolarHBondContact O-N 3.26Å; Y524-L527 VanDerWaalsContact O-N 3.16Å; D525-L527 VanDerWaalsContact C-N 3.35Å; D525-L527 PolarHBondContact O-N 3.21Å; L527-M530 PolarHBondContact O-N 3.3Å; L527-Q531 HydrophobicContact CD1-CG 4.45Å; L527-Q531 WeakPolarHBondContact O-CB 3.23Å; L527-Q531 WeakPolarHBondContact O-CG 3.16Å; L527-Q531 PolarHBondContact O-N 3.01Å
528	V	91.4	Very high	91.7	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-47.1	-180	171.4	0	0	0	0	110.8	K440 L443 V444 Y524 D525 E526 Q531 L532	K440-V528 HydrophobicContact CB-CG1 4.34Å; K440-V528 HydrophobicContact CB-CG2 3.82Å; K440-V528 HydrophobicContact CG-CG1 4.28Å; K440-V528 HydrophobicContact CG-CG2 4.27Å; L443-V528 HydrophobicContact CB-CG1 3.87Å; L443-V528 HydrophobicContact CD1-CG1 3.46Å; L443-V528 VanDerWaalsContact CD1-CG1 3.46Å; L443-V528 HydrophobicContact CG-CG1 4.29Å; V444-V528 HydrophobicContact CG2-CG2 4.12Å; Y524-V528 VanDerWaalsContact O-CG2 3.23Å; Y524-V528 WeakPolarHBondContact O-CG2 3.08Å; Y524-V528 PolarHBondContact O-N 3.5Å; D525-V528 PolarHBondContact O-N 3.21Å; E526-V528 VanDerWaalsContact C-N 3.33Å; E526-V528 PolarHBondContact O-N 3.1Å; V528-Q531 PolarHBondContact O-N 3.04Å; V528-L532 WeakPolarHBondContact O-CB 3.45Å; V528-L532 PolarHBondContact O-N 3.27Å
529	L	92.4	Very high	91.6	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-69.6	-35.9	178.4	-68.2	-169.9	0	0	0	112.5	W461 F490 L520 D525 E526 L532 S533 L540	W461-L529 HydrophobicContact CH2-CD2 3.86Å; W461-L529 HydrophobicContact CZ2-CD1 4.37Å; W461-L529 HydrophobicContact CZ2-CD2 3.77Å; W461-L529 HydrophobicContact CZ2-CG 4.3Å; F490-L529 HydrophobicContact CB-CD1 4.39Å; F490-L529 HydrophobicContact CD1-CD1 3.98Å; F490-L529 HydrophobicContact CE1-CB 4.24Å; F490-L529 HydrophobicContact CE1-CD1 4.41Å; F490-L529 HydrophobicContact CG-CD1 4.11Å; F490-L529 HydrophobicContact CZ-CB 4.45Å; L520-L529 HydrophobicContact CD1-CD1 3.68Å; L520-L529 HydrophobicContact CD1-CG 4.48Å; L520-L529 HydrophobicContact CD2-CD1 3.75Å; L520-L529 HydrophobicContact CG-CD1 4.38Å; D525-L529 WeakPolarHBondContact O-CG 3.18Å; D525-L529 PolarHBondContact O-N 3.1Å; E526-L529 PolarHBondContact O-N 2.75Å; L529-L532 HydrophobicContact CD2-CD2 4.32Å; L529-L532 PolarHBondContact O-N 3.48Å; L529-S533 PolarHBondContact O-N 3.42Å; L529-L540 HydrophobicContact CD2-CD1 4.34Å
530	M	88.8	Confident	91.5	Very high	70 Å²	70	47.3 Å²	47.3	35%	0.345	24%	0.237	S	C	.	.	H	α-helix	trans	-60.7	-45.9	172.4	-76.9	178.5	70.4	0	0	111.6	E526 L527 L532 S533 A608	E526-M530 HydrophobicContact CG-SD 4.35Å; E526-M530 WeakPolarHBondContact O-CB 3.46Å; E526-M530 WeakPolarHBondContact O-CG 3.49Å; E526-M530 PolarHBondContact O-N 2.66Å; L527-M530 PolarHBondContact O-N 3.3Å; M530-L532 VanDerWaalsContact C-N 3.33Å; M530-L532 PolarHBondContact O-N 2.82Å; M530-S533 PolarHBondContact O-N 3.49Å; M530-S533 VanDerWaalsContact O-N 3.16Å; M530-S533 PolarHBondContact O-OG 3.31Å; M530-S533 VanDerWaalsContact O-OG 3.05Å; M530-A608 HydrophobicContact CE-CB 3.8Å
531	Q	89.8	Confident	91.4	Very high	64 Å²	64	48.4 Å²	48.4	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-43.8	176.1	-74.3	-61.5	-28.4	0	0	111	V444 R452 L527 V528 S533	V444-Q531 HydrophobicContact CG1-CG 4.47Å; V444-Q531 HydrophobicContact CG2-CB 4.43Å; V444-Q531 HydrophobicContact CG2-CG 4.37Å; R452-Q531 PolarHBondContact NH1-O 3.42Å; R452-Q531 PolarHBondContact NH2-O 3.16Å; L527-Q531 HydrophobicContact CD1-CG 4.45Å; L527-Q531 WeakPolarHBondContact O-CB 3.23Å; L527-Q531 WeakPolarHBondContact O-CG 3.16Å; L527-Q531 PolarHBondContact O-N 3.01Å; V528-Q531 PolarHBondContact O-N 3.04Å; Q531-S533 PolarHBondContact O-N 3.3Å; Q531-S533 PolarHBondContact O-OG 2.99Å
532	L	93.1	Very high	91.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.4	-34.2	176.8	-179.3	58.2	0	0	0	112	L443 R452 E453 A456 L474 V528 L529 M530 Q534 L540	L443-L532 HydrophobicContact CD2-CD1 4.1Å; L443-L532 HydrophobicContact CD2-CD2 4.41Å; R452-L532 HydrophobicContact CB-CD1 3.99Å; E453-L532 HydrophobicContact CG-CD1 4.49Å; A456-L532 HydrophobicContact CB-CD2 3.49Å; A456-L532 VanDerWaalsContact CB-CD2 3.49Å; L474-L532 HydrophobicContact CD1-CD2 4.43Å; V528-L532 WeakPolarHBondContact O-CB 3.45Å; V528-L532 PolarHBondContact O-N 3.27Å; L529-L532 HydrophobicContact CD2-CD2 4.32Å; L529-L532 PolarHBondContact O-N 3.48Å; M530-L532 VanDerWaalsContact C-N 3.33Å; M530-L532 PolarHBondContact O-N 2.82Å; L532-Q534 WeakPolarHBondContact CG-O 3.35Å; L532-Q534 PolarHBondContact O-N 3.36Å; L532-L540 HydrophobicContact CB-CD1 3.9Å; L532-L540 HydrophobicContact CD2-CD1 3.6Å; L532-L540 HydrophobicContact CG-CD1 3.66Å
533	S	91.9	Very high	91.6	Very high	69 Å²	69	41.7 Å²	41.7	48%	0.483	22%	0.215	S	C	.	.			trans	64.4	-51	175.7	-62.1	0	0	0	0	115.2	L529 M530 Q531 L540	L529-S533 PolarHBondContact O-N 3.42Å; M530-S533 PolarHBondContact O-N 3.49Å; M530-S533 VanDerWaalsContact O-N 3.16Å; M530-S533 PolarHBondContact O-OG 3.31Å; M530-S533 VanDerWaalsContact O-OG 3.05Å; Q531-S533 PolarHBondContact O-N 3.3Å; Q531-S533 PolarHBondContact O-OG 2.99Å; S533-L540 PolarHBondContact O-N 2.69Å
534	Q	94	Very high	92.1	Very high	82 Å²	82	38.6 Å²	38.6	38%	0.383	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.1	178.4	67.7	173.3	31.8	0	0	111.4	Q449 L532 K538	Q449-Q534 PolarHBondContact NE2-O 3.47Å; L532-Q534 WeakPolarHBondContact CG-O 3.35Å; L532-Q534 PolarHBondContact O-N 3.36Å; Q534-K538 CarbonylContact C-O 3.57Å; Q534-K538 WeakPolarHBondContact CA-O 3.4Å; Q534-K538 WeakPolarHBondContact CB-O 3.26Å
535	Y	95.3	Very high	92.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	125.2	174	179.9	-93.8	0	0	0	109.6	E453 A456 K457 L474 D475 I488 K537 K538	E453-Y535 HydrophobicContact CB-CD2 4.29Å; E453-Y535 HydrophobicContact CB-CE2 4.24Å; E453-Y535 HydrophobicContact CG-CD2 4.11Å; A456-Y535 HydrophobicContact CB-CD2 3.97Å; A456-Y535 HydrophobicContact CB-CE2 4.04Å; K457-Y535 WeakPolarHBondContact CE-OH 3.11Å; K457-Y535 HydrophobicContact CG-CE2 4.04Å; K457-Y535 WeakPolarHBondContact CG-OH 3.46Å; L474-Y535 HydrophobicContact CB-CD1 3.65Å; L474-Y535 HydrophobicContact CB-CD2 4.34Å; L474-Y535 HydrophobicContact CB-CE1 3.45Å; L474-Y535 VanDerWaalsContact CB-CE1 3.45Å; L474-Y535 HydrophobicContact CB-CE2 4.16Å; L474-Y535 HydrophobicContact CB-CG 4.09Å; L474-Y535 HydrophobicContact CD1-CD1 4.13Å; L474-Y535 HydrophobicContact CD1-CD2 3.54Å; L474-Y535 HydrophobicContact CD1-CE1 4.45Å; L474-Y535 HydrophobicContact CD1-CE2 3.89Å; L474-Y535 HydrophobicContact CD1-CG 3.66Å; L474-Y535 HydrophobicContact CG-CD1 4.38Å; L474-Y535 HydrophobicContact CG-CG 4.39Å; D475-Y535 VanDerWaalsContact CG-OH 3.27Å; D475-Y535 PolarHBondContact OD1-OH 3.46Å; I488-Y535 HydrophobicContact CD1-CD1 4.11Å; Y535-K537 PolarHBondContact O-N 3.48Å; Y535-K538 PolarHBondContact N-O 3.35Å; Y535-K538 WeakPolarHBondContact O-CB 3.47Å; Y535-K538 PolarHBondContact O-N 2.96Å
536	D	93.9	Very high	92.2	Very high	79 Å²	79	38.6 Å²	38.6	42%	0.422	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	48.4	-177.4	-174.5	34.6	0	0	0	112.6	E453 K538	E453-D536 PolarHBondContact OE2-N 3.3Å; D536-K538 PolarHBondContact O-N 2.78Å; D536-K538 VanDerWaalsContact O-N 3.09Å; D536-K538 PolarHBondContact O-NZ 2.88Å; D536-K538 VanDerWaalsContact O-NZ 3.11Å; D536-K538 IonicContact OD2-NZ 2.75Å; D536-K538 PolarHBondContact OD2-NZ 2.88Å
537	K	92.6	Very high	92.2	Very high	185 Å²	185	38.4 Å²	38.4	80%	0.804	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	13.7	-178.2	-53.2	173.2	-176.2	171.4	0	115.3	Y535	Y535-K537 PolarHBondContact O-N 3.48Å
538	K	95	Very high	92.1	Very high	39 Å²	39	38.6 Å²	38.6	17%	0.17	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.8	174.6	-59	154.7	-176.6	79.7	0	108.9	A478 M481 R486 I488 Q534 Y535 D536	A478-K538 HydrophobicContact CB-CD 4.33Å; M481-K538 HydrophobicContact CE-CD 3.99Å; M481-K538 HydrophobicContact CE-CG 4.28Å; M481-K538 HydrophobicContact SD-CD 3.59Å; M481-K538 VanDerWaalsContact SD-CD 3.59Å; M481-K538 HydrophobicContact SD-CG 4.49Å; R486-K538 VanDerWaalsContact O-CA 3.25Å; R486-K538 WeakPolarHBondContact O-CA 3.27Å; R486-K538 WeakPolarHBondContact O-CB 3.31Å; I488-K538 HydrophobicContact CD1-CB 4.15Å; I488-K538 HydrophobicContact CD1-CD 4.09Å; I488-K538 HydrophobicContact CG1-CB 4.06Å; I488-K538 HydrophobicContact CG1-CD 4.23Å; Q534-K538 CarbonylContact C-O 3.57Å; Q534-K538 WeakPolarHBondContact CA-O 3.4Å; Q534-K538 WeakPolarHBondContact CB-O 3.26Å; Y535-K538 PolarHBondContact N-O 3.35Å; Y535-K538 WeakPolarHBondContact O-CB 3.47Å; Y535-K538 PolarHBondContact O-N 2.96Å; D536-K538 PolarHBondContact O-N 2.78Å; D536-K538 VanDerWaalsContact O-N 3.09Å; D536-K538 PolarHBondContact O-NZ 2.88Å; D536-K538 VanDerWaalsContact O-NZ 3.11Å; D536-K538 IonicContact OD2-NZ 2.75Å; D536-K538 PolarHBondContact OD2-NZ 2.88Å
539	T	95.4	Very high	91.8	Very high	69 Å²	69	42.9 Å²	42.9	42%	0.423	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	135.1	-179.5	-51	0	0	0	0	109.9	R486 N487 I488	R486-T539 PolarHBondContact O-N 2.77Å; R486-T539 VanDerWaalsContact O-N 3.07Å; N487-T539 CarbonylContact C-O 3.57Å; N487-T539 VanDerWaalsContact CA-O 3.26Å; N487-T539 WeakPolarHBondContact CA-O 3.37Å; I488-T539 PolarHBondContact N-O 2.8Å
540	L	94.9	Very high	91.3	Very high	15 Å²	15	44.6 Å²	44.6	8%	0.079	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122	171.4	-67.6	161.2	0	0	0	108	L474 I488 F490 L529 L532 S533	L474-L540 HydrophobicContact CD2-CD2 4.19Å; I488-L540 HydrophobicContact CB-CD2 3.9Å; I488-L540 HydrophobicContact CD1-CD2 4.35Å; I488-L540 HydrophobicContact CG2-CD2 3.83Å; F490-L540 HydrophobicContact CE1-CB 4.06Å; L529-L540 HydrophobicContact CD2-CD1 4.34Å; L532-L540 HydrophobicContact CB-CD1 3.9Å; L532-L540 HydrophobicContact CD2-CD1 3.6Å; L532-L540 HydrophobicContact CG-CD1 3.66Å; S533-L540 PolarHBondContact O-N 2.69Å
541	T	93.2	Very high	90.2	Very high	25 Å²	25	50.1 Å²	50.1	15%	0.153	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	128.9	-173.5	-54.9	0	0	0	0	111	I488 Y489 F490	I488-T541 PolarHBondContact O-N 3.03Å; Y489-T541 WeakPolarHBondContact CA-O 3.3Å; F490-T541 VanDerWaalsContact CE1-C 3.46Å; F490-T541 PolarHBondContact N-O 3.42Å; F490-T541 VanDerWaalsContact N-O 3.17Å
542	S	93.8	Very high	88.9	Confident	6 Å²	6	49.4 Å²	49.4	4%	0.042	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	142.9	173	100.7	0	0	0	0	109.8	F490 E544 S545 M546	F490-S542 WeakPolarHBondContact O-CA 3.42Å; S542-E544 WeakPolarHBondContact CB-OE2 3.18Å; S542-E544 PolarHBondContact O-N 2.67Å; S542-E544 PolarHBondContact OG-N 3.37Å; S542-E544 PolarHBondContact OG-OE2 3.24Å; S542-S545 PolarHBondContact O-N 3.44Å; S542-S545 VanDerWaalsContact O-N 3.12Å; S542-S545 PolarHBondContact OG-N 3.39Å; S542-S545 VanDerWaalsContact OG-N 3.11Å; S542-S545 PolarHBondContact OG-OG 2.97Å; S542-M546 PolarHBondContact O-N 2.67Å
543	I	93.7	Very high	87.2	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-27.3	178	61	168.1	0	0	0	112.2	Y489 F490 L491 L505 V508 V517 M546 I547	Y489-I543 HydrophobicContact CD1-CG2 4.49Å; F490-I543 PolarHBondContact O-N 2.83Å; L491-I543 HydrophobicContact CB-CD1 3.82Å; L491-I543 HydrophobicContact CB-CG1 3.99Å; L491-I543 HydrophobicContact CD1-CD1 3.89Å; L491-I543 HydrophobicContact CD1-CG1 3.94Å; L491-I543 HydrophobicContact CD2-CD1 3.95Å; L491-I543 HydrophobicContact CG-CD1 4.08Å; L491-I543 HydrophobicContact CG-CG1 4.44Å; L505-I543 HydrophobicContact CB-CD1 4.34Å; V508-I543 HydrophobicContact CG2-CB 4.12Å; V517-I543 HydrophobicContact CB-CG2 4.45Å; V517-I543 HydrophobicContact CG1-CD1 4.39Å; V517-I543 HydrophobicContact CG1-CG2 3.75Å; V517-I543 HydrophobicContact CG2-CG2 3.79Å; I543-M546 WeakPolarHBondContact O-CB 3.28Å; I543-M546 PolarHBondContact O-N 2.71Å; I543-I547 WeakPolarHBondContact O-CD1 3.29Å; I543-I547 WeakPolarHBondContact O-CG1 3.29Å; I543-I547 PolarHBondContact O-N 3.06Å
544	E	91.9	Very high	85.9	Confident	3 Å²	3	53.3 Å²	53.3	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-65.8	-40.2	174.1	-50.9	97.9	140.1	0	0	111.6	Y504 S542 I547 A548 A606 R610	Y504-E544 HydrophobicContact CD1-CB 4.27Å; Y504-E544 HydrophobicContact CD1-CG 3.67Å; Y504-E544 HydrophobicContact CD2-CG 4.08Å; Y504-E544 HydrophobicContact CE1-CB 4.42Å; Y504-E544 HydrophobicContact CE1-CG 3.9Å; Y504-E544 HydrophobicContact CE2-CG 4.33Å; Y504-E544 HydrophobicContact CG-CG 3.77Å; S542-E544 WeakPolarHBondContact CB-OE2 3.18Å; S542-E544 PolarHBondContact O-N 2.67Å; S542-E544 PolarHBondContact OG-N 3.37Å; S542-E544 PolarHBondContact OG-OE2 3.24Å; E544-I547 PolarHBondContact O-N 3.06Å; E544-A548 WeakPolarHBondContact O-CB 3.29Å; E544-A548 PolarHBondContact O-N 3.32Å; E544-A606 HydrophobicContact CB-CB 4.02Å; E544-R610 IonicContact OE1-CZ 3.09Å; E544-R610 IonicContact OE1-NH1 3.59Å; E544-R610 PolarHBondContact OE1-NH1 3.21Å; E544-R610 IonicContact OE1-NH2 2.67Å; E544-R610 PolarHBondContact OE1-NH2 3.22Å
545	S	88.9	Confident	84.8	Confident	23 Å²	23	52.2 Å²	52.2	16%	0.161	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-40.5	176.7	-55.1	0	0	0	0	111	S542 I547 A548 D549	S542-S545 PolarHBondContact O-N 3.44Å; S542-S545 VanDerWaalsContact O-N 3.12Å; S542-S545 PolarHBondContact OG-N 3.39Å; S542-S545 VanDerWaalsContact OG-N 3.11Å; S542-S545 PolarHBondContact OG-OG 2.97Å; S545-I547 VanDerWaalsContact C-N 3.31Å; S545-I547 PolarHBondContact O-N 3.31Å; S545-A548 PolarHBondContact O-N 2.95Å; S545-D549 PolarHBondContact O-N 3.31Å
546	M	89.5	Confident	84	Confident	41 Å²	41	54 Å²	54	20%	0.202	29%	0.294	C	S	.	.	H	α-helix	trans	-57.4	-43.3	172.5	176.7	-174.3	171.5	0	0	112	Y489 V508 I515 S542 I543 D550	Y489-M546 HydrophobicContact CD1-SD 3.89Å; Y489-M546 HydrophobicContact CE1-CB 4.16Å; Y489-M546 HydrophobicContact CE1-CG 4.06Å; Y489-M546 HydrophobicContact CE1-SD 3.34Å; Y489-M546 WeakPolarHBondContact CE1-SD 2.84Å; V508-M546 HydrophobicContact CG2-SD 4.33Å; I515-M546 HydrophobicContact CD1-CE 3.99Å; I515-M546 HydrophobicContact CD1-SD 3.97Å; S542-M546 PolarHBondContact O-N 2.67Å; I543-M546 WeakPolarHBondContact O-CB 3.28Å; I543-M546 PolarHBondContact O-N 2.71Å; M546-D550 WeakPolarHBondContact O-CB 3.49Å; M546-D550 PolarHBondContact O-N 2.92Å; M546-D550 VanDerWaalsContact O-N 3.14Å
547	I	89.7	Confident	83.4	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-39.8	177.5	-68	163.7	0	0	0	111	Y504 A507 V508 I543 E544 S545 R593 F600	Y504-I547 HydrophobicContact CD1-CD1 3.92Å; Y504-I547 HydrophobicContact CG-CD1 4.45Å; A507-I547 HydrophobicContact CB-CD1 3.84Å; A507-I547 HydrophobicContact CB-CG1 4.42Å; V508-I547 HydrophobicContact CG2-CD1 3.97Å; V508-I547 HydrophobicContact CG2-CG1 3.81Å; I543-I547 WeakPolarHBondContact O-CD1 3.29Å; I543-I547 WeakPolarHBondContact O-CG1 3.29Å; I543-I547 PolarHBondContact O-N 3.06Å; E544-I547 PolarHBondContact O-N 3.06Å; S545-I547 VanDerWaalsContact C-N 3.31Å; S545-I547 PolarHBondContact O-N 3.31Å; I547-R593 PolarHBondContact O-NH1 2.7Å; I547-F600 HydrophobicContact CG2-CE2 3.74Å; I547-F600 HydrophobicContact CG2-CZ 3.71Å
548	A	86	Confident	82.8	Confident	30 Å²	30	43.7 Å²	43.7	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-70.7	-36.8	-178.9	0	0	0	0	0	113.1	E544 S545 R604	E544-A548 WeakPolarHBondContact O-CB 3.29Å; E544-A548 PolarHBondContact O-N 3.32Å; S545-A548 PolarHBondContact O-N 2.95Å; A548-R604 HydrophobicContact CB-CG 4.18Å
549	D	84	Confident	81.8	Confident	94 Å²	94	47 Å²	47	50%	0.503	28%	0.284	S	S	.	.	H	α-helix	trans	-82.5	-17.6	179.1	-71.5	-25.6	0	0	0	113.3	S545 M551 R604	S545-D549 PolarHBondContact O-N 3.31Å; D549-M551 PolarHBondContact O-N 3.08Å; D549-R604 IonicContact OD1-NE 3.19Å; D549-R604 IonicContact OD1-NH2 3.26Å
550	D	82.1	Confident	80.8	Confident	37 Å²	37	51.8 Å²	51.8	20%	0.198	30%	0.302	C	S	.	.			trans	-71.2	91.1	176.2	-178.3	31.4	0	0	0	110.9	K511 M546 A552 R593	K511-D550 IonicContact NZ-OD1 2.89Å; K511-D550 PolarHBondContact NZ-OD1 2.91Å; K511-D550 IonicContact NZ-OD2 3.83Å; K511-D550 PolarHBondContact NZ-OD2 3.15Å; M546-D550 WeakPolarHBondContact O-CB 3.49Å; M546-D550 PolarHBondContact O-N 2.92Å; M546-D550 VanDerWaalsContact O-N 3.14Å; D550-A552 PolarHBondContact O-N 3.09Å; D550-A552 WeakPolarHBondContact OD1-CB 3.39Å; D550-A552 PolarHBondContact OD1-N 3.36Å; D550-R593 VanDerWaalsContact CB-NH2 3.26Å; D550-R593 PolarHBondContact O-NH2 3.44Å; D550-R593 IonicContact OD2-CZ 2.99Å; D550-R593 IonicContact OD2-NE 3.63Å; D550-R593 IonicContact OD2-NH2 3.79Å; D550-R593 PolarHBondContact OD2-NH2 3.18Å
551	M	64.7	Low	80.2	Confident	185 Å²	185	55 Å²	55	91%	0.911	31%	0.313	S	S	*	.			trans	-71.2	6	177.4	-62.9	-172.1	70.6	0	0	114.5	D549 N553	D549-M551 PolarHBondContact O-N 3.08Å; M551-N553 PolarHBondContact O-N 2.86Å
552	A	62.4	Low	79.5	Confident	50 Å²	50	63.1 Å²	63.1	41%	0.413	35%	0.349	S	S	.	.	S	Bend	trans	-49.1	146.1	173	0	0	0	0	0	110	D550 T554	D550-A552 PolarHBondContact O-N 3.09Å; D550-A552 WeakPolarHBondContact OD1-CB 3.39Å; D550-A552 PolarHBondContact OD1-N 3.36Å; A552-T554 WeakPolarHBondContact O-CG2 3.28Å; A552-T554 PolarHBondContact O-N 3.33Å
553	N	57.3	Low	79.1	Confident	138 Å²	138	67.6 Å²	67.6	74%	0.738	37%	0.372	S	S	*	.	S	Bend	trans	-70	69.1	-171.1	-150.7	11.1	0	0	0	111.5	M551 D555 S556	M551-N553 PolarHBondContact O-N 2.86Å; N553-D555 VanDerWaalsContact C-N 3.27Å; N553-S556 PolarHBondContact O-OG 3.33Å
554	T	64.6	Low	79	Confident	13 Å²	13	68.4 Å²	68.4	8%	0.08	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.5	-176.4	51.9	0	0	0	0	112.9	A552 S556 K589	A552-T554 WeakPolarHBondContact O-CG2 3.28Å; A552-T554 PolarHBondContact O-N 3.33Å; T554-S556 PolarHBondContact O-N 3.28Å; T554-K589 PolarHBondContact OG1-NZ 3.06Å
555	D	71.7	Confident	79	Confident	59 Å²	59	68.6 Å²	68.6	32%	0.316	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	9.9	-173.7	-61.7	19.4	0	0	0	112.1	N553 K587 K589	N553-D555 VanDerWaalsContact C-N 3.27Å; D555-K587 IonicContact OD2-NZ 2.83Å; D555-K587 PolarHBondContact OD2-NZ 3.42Å; D555-K589 WeakPolarHBondContact OD1-CD 3.44Å; D555-K589 IonicContact OD1-NZ 3.21Å
556	S	79.2	Confident	79.2	Confident	37 Å²	37	73.2 Å²	73.2	26%	0.259	40%	0.396	S	S	.	.	S	Bend	trans	-117	149.4	176.5	69.1	0	0	0	0	111.4	N553 T554 G558 Q592	N553-S556 PolarHBondContact O-OG 3.33Å; T554-S556 PolarHBondContact O-N 3.28Å; S556-G558 PolarHBondContact O-N 2.76Å; S556-Q592 PolarHBondContact O-NE2 3.29Å
557	V	80.5	Confident	79.3	Confident	6 Å²	6	74.9 Å²	74.9	4%	0.036	40%	0.403	C	S	.	.			trans	-75	-13.1	176.6	-171.1	0	0	0	0	112.3	R561 C564 L565 A570 V590 Q592 P637	V557-R561 PolarHBondContact O-NH2 3.3Å; V557-C564 WeakPolarHBondContact CG1-SG 3.38Å; V557-L565 WeakPolarHBondContact CG1-O 3.47Å; V557-A570 HydrophobicContact CG2-CB 3.4Å; V557-A570 VanDerWaalsContact CG2-CB 3.4Å; V557-V590 HydrophobicContact CG2-CG2 4.14Å; V557-Q592 VanDerWaalsContact C-NE2 3.31Å; V557-P637 HydrophobicContact CG1-CB 3.99Å; V557-P637 HydrophobicContact CG1-CG 3.76Å; V557-P637 HydrophobicContact CG2-CB 4.36Å; V557-P637 HydrophobicContact CG2-CG 4.38Å
558	G	80.3	Confident	79.4	Confident	42 Å²	42	80.9 Å²	80.9	43%	0.433	44%	0.436	S	S	.	.			trans	78.1	-146.8	178	0	0	0	0	0	112.1	S556	S556-G558 PolarHBondContact O-N 2.76Å
559	C	73.2	Confident	79.8	Confident	107 Å²	107	82 Å²	82	72%	0.723	44%	0.435	S	S	*	.	S	Bend	trans	-68	141.6	178	-65.4	0	0	0	0	111.1	R561	C559-R561 PolarHBondContact O-N 2.81Å; C559-R561 PolarHBondContact O-NE 3.04Å
560	E	74.3	Confident	80.2	Confident	170 Å²	170	77.5 Å²	77.5	79%	0.794	41%	0.412	S	S	*	.			trans	-58.3	131.2	176.9	-66.6	-168.5	159.3	0	0	111.1
561	R	82.6	Confident	80.8	Confident	84 Å²	84	78.1 Å²	78.1	32%	0.317	42%	0.419	S	S	.	.			trans	-135.3	141.4	-178.3	-73.3	168.3	-78.5	173.1	-4.4	108.7	V557 C559 N563 C564 E638	V557-R561 PolarHBondContact O-NH2 3.3Å; C559-R561 PolarHBondContact O-N 2.81Å; C559-R561 PolarHBondContact O-NE 3.04Å; R561-N563 PolarHBondContact O-N 3.47Å; R561-N563 VanDerWaalsContact O-N 3.09Å; R561-C564 HydrophobicContact CB-CB 3.87Å; R561-C564 PolarHBondContact O-N 3.24Å; R561-C564 VanDerWaalsContact O-N 3.12Å; R561-E638 VanDerWaalsContact CD-OE1 3.28Å; R561-E638 WeakPolarHBondContact CD-OE1 3.27Å; R561-E638 IonicContact CZ-OE1 3.06Å; R561-E638 IonicContact NE-OE1 2.73Å; R561-E638 PolarHBondContact NE-OE1 3.41Å; R561-E638 IonicContact NH1-OE1 2.86Å; R561-E638 PolarHBondContact NH1-OE1 2.95Å; R561-E638 IonicContact NH1-OE2 3.85Å; R561-E638 PolarHBondContact NH1-OE2 3.01Å; R561-E638 VanDerWaalsContact NH1-OE2 3.14Å
562	Q	78.1	Confident	82.2	Confident	195 Å²	195	71.7 Å²	71.7	91%	0.911	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.2	-169.7	-171.6	175.3	1.9	0	0	114.6
563	N	86.6	Confident	83.7	Confident	100 Å²	100	69.4 Å²	69.4	54%	0.535	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	32.9	-178.8	-67.5	-37.8	0	0	0	112.4	R561 E638 R643	R561-N563 PolarHBondContact O-N 3.47Å; R561-N563 VanDerWaalsContact O-N 3.09Å; N563-E638 WeakPolarHBondContact O-CA 3.44Å; N563-R643 WeakPolarHBondContact O-CD 3.37Å; N563-R643 PolarHBondContact O-NE 3.18Å; N563-R643 VanDerWaalsContact O-NE 3.15Å
564	C	91.1	Very high	85.5	Confident	16 Å²	16	63.9 Å²	63.9	11%	0.108	34%	0.338	C	S	.	.	S	Bend	trans	-127.9	145.1	-178.2	-160.6	0	0	0	0	110	V557 R561 P637 E638	V557-C564 WeakPolarHBondContact CG1-SG 3.38Å; R561-C564 HydrophobicContact CB-CB 3.87Å; R561-C564 PolarHBondContact O-N 3.24Å; R561-C564 VanDerWaalsContact O-N 3.12Å; C564-P637 WeakPolarHBondContact CA-O 3.32Å; C564-E638 HydrophobicContact CB-CG 3.95Å; C564-E638 WeakPolarHBondContact SG-CG 3.42Å
565	L	91.8	Very high	87	Confident	8 Å²	8	69.9 Å²	69.9	4%	0.042	37%	0.366	C	S	.	.			trans	-59.4	145.6	169.6	-65.8	178.3	0	0	0	110.4	V557 E569 A570 L573 P637 V642 R643 Y646	V557-L565 WeakPolarHBondContact CG1-O 3.47Å; L565-E569 WeakPolarHBondContact CA-OE2 3.34Å; L565-E569 HydrophobicContact CB-CB 4.24Å; L565-E569 HydrophobicContact CD2-CB 4.32Å; L565-A570 HydrophobicContact CB-CB 4.44Å; L565-L573 HydrophobicContact CD1-CD2 3.91Å; L565-P637 HydrophobicContact CB-CB 4.09Å; L565-P637 HydrophobicContact CG-CB 4.49Å; L565-P637 PolarHBondContact N-O 3.32Å; L565-P637 VanDerWaalsContact N-O 3.07Å; L565-V642 HydrophobicContact CD1-CG1 4.14Å; L565-R643 HydrophobicContact CD2-CB 4.39Å; L565-R643 HydrophobicContact CD2-CG 3.94Å; L565-R643 HydrophobicContact CG-CG 4.01Å; L565-Y646 HydrophobicContact CD1-CG 4.39Å; L565-Y646 HydrophobicContact CD2-CD1 3.59Å; L565-Y646 HydrophobicContact CD2-CE1 4.39Å; L565-Y646 HydrophobicContact CD2-CG 3.78Å
566	K	92.8	Very high	88.1	Confident	120 Å²	120	68.4 Å²	68.4	52%	0.522	36%	0.356	S	S	.	.			trans	-73.1	163.8	169.5	-62.2	178.7	179.9	178.3	0	110.4	D568 E569 A570	K566-D568 VanDerWaalsContact C-N 3.29Å; K566-D568 PolarHBondContact O-N 3.07Å; K566-E569 HydrophobicContact CB-CB 4.48Å; K566-E569 HydrophobicContact CB-CG 3.97Å; K566-E569 PolarHBondContact N-OE2 3.17Å; K566-E569 PolarHBondContact O-N 3.41Å; K566-A570 WeakPolarHBondContact O-CB 3.43Å; K566-A570 PolarHBondContact O-N 3.45Å
567	Q	91.9	Very high	89	Confident	75 Å²	75	66.6 Å²	66.6	35%	0.35	34%	0.343	S	S	.	.	H	α-helix	trans	-57.5	-42.8	-179	-174.2	60.3	50.9	0	0	112.3	A570 S571	Q567-A570 PolarHBondContact O-N 3.11Å; Q567-S571 WeakPolarHBondContact O-CB 3.14Å; Q567-S571 PolarHBondContact O-N 3.41Å; Q567-S571 PolarHBondContact O-OG 2.67Å
568	D	92	Very high	89.7	Confident	133 Å²	133	69.8 Å²	69.8	71%	0.711	36%	0.358	S	S	*	.	H	α-helix	trans	-66.5	-41.2	178.9	-59.8	-21.9	0	0	0	111.8	K566 A570 S571 E572	K566-D568 VanDerWaalsContact C-N 3.29Å; K566-D568 PolarHBondContact O-N 3.07Å; D568-A570 VanDerWaalsContact C-N 3.35Å; D568-S571 PolarHBondContact O-N 3.22Å; D568-E572 WeakPolarHBondContact O-CB 3.24Å; D568-E572 PolarHBondContact O-N 3.17Å
569	E	93.9	Very high	90.4	Very high	52 Å²	52	74.3 Å²	74.3	24%	0.243	37%	0.365	C	S	.	.	H	α-helix	trans	-64.2	-41	177.3	-57.6	176.9	162.4	0	0	111.2	L565 K566 L573 Y646	L565-E569 WeakPolarHBondContact CA-OE2 3.34Å; L565-E569 HydrophobicContact CB-CB 4.24Å; L565-E569 HydrophobicContact CD2-CB 4.32Å; K566-E569 HydrophobicContact CB-CB 4.48Å; K566-E569 HydrophobicContact CB-CG 3.97Å; K566-E569 PolarHBondContact N-OE2 3.17Å; K566-E569 PolarHBondContact O-N 3.41Å; E569-L573 WeakPolarHBondContact O-CB 3.44Å; E569-L573 PolarHBondContact O-N 3.24Å; E569-Y646 HydrophobicContact CB-CD1 4.32Å; E569-Y646 HydrophobicContact CB-CD2 4.25Å; E569-Y646 HydrophobicContact CB-CE1 3.8Å; E569-Y646 HydrophobicContact CB-CE2 3.74Å; E569-Y646 HydrophobicContact CG-CE1 3.81Å; E569-Y646 HydrophobicContact CG-CE2 4.33Å; E569-Y646 WeakPolarHBondContact CG-OH 3.33Å; E569-Y646 WeakPolarHBondContact O-CD2 3.46Å; E569-Y646 WeakPolarHBondContact O-CE2 3.2Å
570	A	93.5	Very high	91.4	Very high	1 Å²	1	70.9 Å²	70.9	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-66.2	-44	175.4	0	0	0	0	0	112.3	V557 L565 K566 Q567 D568 L573 V574 V590	V557-A570 HydrophobicContact CG2-CB 3.4Å; V557-A570 VanDerWaalsContact CG2-CB 3.4Å; L565-A570 HydrophobicContact CB-CB 4.44Å; K566-A570 WeakPolarHBondContact O-CB 3.43Å; K566-A570 PolarHBondContact O-N 3.45Å; Q567-A570 PolarHBondContact O-N 3.11Å; D568-A570 VanDerWaalsContact C-N 3.35Å; A570-L573 PolarHBondContact O-N 3.14Å; A570-V574 WeakPolarHBondContact O-CB 3.43Å; A570-V574 VanDerWaalsContact O-CG2 3.24Å; A570-V574 WeakPolarHBondContact O-CG2 3.42Å; A570-V574 PolarHBondContact O-N 2.93Å; A570-V590 HydrophobicContact CB-CG1 3.78Å
571	S	93.3	Very high	92.3	Very high	49 Å²	49	63 Å²	63	34%	0.343	30%	0.304	S	S	.	.	H	α-helix	trans	-61.2	-44.3	176.4	-74.9	0	0	0	0	111.6	Q567 D568 L573 V574 E575	Q567-S571 WeakPolarHBondContact O-CB 3.14Å; Q567-S571 PolarHBondContact O-N 3.41Å; Q567-S571 PolarHBondContact O-OG 2.67Å; D568-S571 PolarHBondContact O-N 3.22Å; S571-L573 PolarHBondContact O-N 2.59Å; S571-V574 PolarHBondContact O-N 2.86Å; S571-E575 WeakPolarHBondContact O-CG 3.34Å; S571-E575 PolarHBondContact O-N 2.84Å
572	E	94.1	Very high	92.8	Very high	51 Å²	51	60.9 Å²	60.9	24%	0.238	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-45.5	175.8	-171.9	-171.1	131.7	0	0	112.1	D568 V574 E575 W576 Y646 H650 K653	D568-E572 WeakPolarHBondContact O-CB 3.24Å; D568-E572 PolarHBondContact O-N 3.17Å; E572-V574 VanDerWaalsContact C-N 3.35Å; E572-V574 PolarHBondContact O-N 2.89Å; E572-E575 PolarHBondContact O-N 3.35Å; E572-W576 WeakPolarHBondContact O-CB 3.41Å; E572-W576 PolarHBondContact O-N 3.07Å; E572-W576 VanDerWaalsContact O-N 3.08Å; E572-Y646 HydrophobicContact CB-CE2 4.45Å; E572-H650 IonicContact OE1-ND1 2.8Å; E572-K653 WeakPolarHBondContact OE1-CE 3.5Å; E572-K653 IonicContact OE1-NZ 2.9Å; E572-K653 PolarHBondContact OE1-NZ 3.14Å; E572-K653 WeakPolarHBondContact OE2-CE 3.31Å; E572-K653 IonicContact OE2-NZ 3.86Å; E572-K653 PolarHBondContact OE2-NZ 2.93Å
573	L	95.5	Very high	93.4	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-62.2	-42.3	177.2	177.9	62.2	0	0	0	112	L565 E569 A570 S571 W576 A577 L635 V642 L645 Y646 V649	L565-L573 HydrophobicContact CD1-CD2 3.91Å; E569-L573 WeakPolarHBondContact O-CB 3.44Å; E569-L573 PolarHBondContact O-N 3.24Å; A570-L573 PolarHBondContact O-N 3.14Å; S571-L573 PolarHBondContact O-N 2.59Å; L573-W576 HydrophobicContact CD1-CE3 4.05Å; L573-W576 HydrophobicContact CD1-CZ3 4.37Å; L573-W576 PolarHBondContact O-N 3.3Å; L573-A577 VanDerWaalsContact O-CB 3.27Å; L573-A577 WeakPolarHBondContact O-CB 3.37Å; L573-A577 PolarHBondContact O-N 3.39Å; L573-L635 HydrophobicContact CD2-CD1 3.99Å; L573-L635 HydrophobicContact CG-CD1 4.19Å; L573-V642 HydrophobicContact CD2-CG1 3.77Å; L573-L645 HydrophobicContact CD1-CD2 4.01Å; L573-L645 HydrophobicContact CD1-CG 3.89Å; L573-Y646 HydrophobicContact CB-CD2 4.23Å; L573-V649 HydrophobicContact CD1-CG2 4.2Å
574	V	95.4	Very high	93.6	Very high	22 Å²	22	53.3 Å²	53.3	13%	0.133	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-48.9	179.6	164.5	0	0	0	0	110.8	A570 S571 E572 W576 A577 E578 V588 V590	A570-V574 WeakPolarHBondContact O-CB 3.43Å; A570-V574 VanDerWaalsContact O-CG2 3.24Å; A570-V574 WeakPolarHBondContact O-CG2 3.42Å; A570-V574 PolarHBondContact O-N 2.93Å; S571-V574 PolarHBondContact O-N 2.86Å; E572-V574 VanDerWaalsContact C-N 3.35Å; E572-V574 PolarHBondContact O-N 2.89Å; V574-W576 VanDerWaalsContact C-N 3.34Å; V574-W576 PolarHBondContact O-N 3.21Å; V574-A577 PolarHBondContact O-N 3.27Å; V574-E578 WeakPolarHBondContact O-CG 3.39Å; V574-E578 PolarHBondContact O-N 3.35Å; V574-V588 HydrophobicContact CG1-CB 4.23Å; V574-V588 WeakPolarHBondContact CG1-O 3.39Å; V574-V588 HydrophobicContact CG2-CG1 4.37Å; V574-V590 HydrophobicContact CG2-CG1 4.11Å
575	E	94.9	Very high	93.7	Very high	140 Å²	140	53.4 Å²	53.4	65%	0.654	28%	0.278	S	S	*	.	H	α-helix	trans	-60.2	-43.4	178.2	-73.4	179.2	-173	0	0	111.9	S571 E572 E578 K579	S571-E575 WeakPolarHBondContact O-CG 3.34Å; S571-E575 PolarHBondContact O-N 2.84Å; E572-E575 PolarHBondContact O-N 3.35Å; E575-E578 PolarHBondContact O-N 3.2Å; E575-K579 PolarHBondContact O-N 2.7Å; E575-K579 VanDerWaalsContact O-N 3.12Å
576	W	95.7	Very high	93.7	Very high	27 Å²	27	58.8 Å²	58.8	10%	0.102	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-44.3	175.5	173.9	85.8	0	0	0	111.9	E572 L573 V574 E578 K579 V580 L645 V649 Y661 A664 I665 L668	E572-W576 WeakPolarHBondContact O-CB 3.41Å; E572-W576 PolarHBondContact O-N 3.07Å; E572-W576 VanDerWaalsContact O-N 3.08Å; L573-W576 HydrophobicContact CD1-CE3 4.05Å; L573-W576 HydrophobicContact CD1-CZ3 4.37Å; L573-W576 PolarHBondContact O-N 3.3Å; V574-W576 VanDerWaalsContact C-N 3.34Å; V574-W576 PolarHBondContact O-N 3.21Å; W576-E578 PolarHBondContact O-N 3.19Å; W576-K579 PolarHBondContact O-N 3.04Å; W576-V580 HydrophobicContact CD2-CG2 4.14Å; W576-V580 HydrophobicContact CH2-CG2 4.4Å; W576-V580 HydrophobicContact CZ2-CG2 3.79Å; W576-V580 WeakPolarHBondContact O-CG2 3.11Å; W576-V580 PolarHBondContact O-N 2.87Å; W576-L645 HydrophobicContact CH2-CD1 3.99Å; W576-L645 HydrophobicContact CZ3-CD1 3.89Å; W576-L645 HydrophobicContact CZ3-CD2 4.33Å; W576-L645 HydrophobicContact CZ3-CG 4.27Å; W576-V649 HydrophobicContact CB-CG1 4.02Å; W576-V649 HydrophobicContact CD2-CB 4.4Å; W576-V649 HydrophobicContact CD2-CG1 3.92Å; W576-V649 HydrophobicContact CD2-CG2 3.49Å; W576-V649 VanDerWaalsContact CD2-CG2 3.49Å; W576-V649 HydrophobicContact CE3-CG1 4.49Å; W576-V649 HydrophobicContact CE3-CG2 3.46Å; W576-V649 VanDerWaalsContact CE3-CG2 3.46Å; W576-V649 HydrophobicContact CG-CG1 3.66Å; W576-V649 HydrophobicContact CG-CG2 4.16Å; W576-V649 HydrophobicContact CH2-CG2 3.81Å; W576-V649 HydrophobicContact CZ2-CG2 3.83Å; W576-V649 HydrophobicContact CZ3-CG2 3.6Å; W576-Y661 AromaticContact NE1-CE2 3.34Å; W576-Y661 VanDerWaalsContact NE1-CE2 3.34Å; W576-A664 HydrophobicContact CH2-CB 3.71Å; W576-A664 HydrophobicContact CZ2-CB 3.74Å; W576-I665 HydrophobicContact CZ2-CG1 4.12Å; W576-L668 HydrophobicContact CE3-CD2 4.2Å; W576-L668 HydrophobicContact CH2-CB 3.98Å; W576-L668 HydrophobicContact CH2-CD2 3.93Å; W576-L668 HydrophobicContact CZ3-CB 3.98Å; W576-L668 HydrophobicContact CZ3-CD2 3.56Å; W576-L668 HydrophobicContact CZ3-CG 4.22Å
577	A	96.4	Very high	93.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-39.1	-179.7	0	0	0	0	0	112.3	L573 V574 V580 L581 V588 L668	L573-A577 VanDerWaalsContact O-CB 3.27Å; L573-A577 WeakPolarHBondContact O-CB 3.37Å; L573-A577 PolarHBondContact O-N 3.39Å; V574-A577 PolarHBondContact O-N 3.27Å; A577-V580 PolarHBondContact O-N 2.8Å; A577-L581 WeakPolarHBondContact O-CB 3.49Å; A577-L581 WeakPolarHBondContact O-CG 3.27Å; A577-L581 PolarHBondContact O-N 2.87Å; A577-V588 HydrophobicContact CB-CB 4.48Å; A577-V588 HydrophobicContact CB-CG1 4.08Å; A577-V588 HydrophobicContact CB-CG2 4.18Å; A577-L668 HydrophobicContact CB-CD1 3.99Å; A577-L668 HydrophobicContact CB-CD2 3.86Å
578	E	95.7	Very high	93.9	Very high	73 Å²	73	53.5 Å²	53.5	34%	0.341	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-44	173.4	-73.9	-172.7	154.6	0	0	111.6	V574 E575 W576 V580 G582 K587 V588	V574-E578 WeakPolarHBondContact O-CG 3.39Å; V574-E578 PolarHBondContact O-N 3.35Å; E575-E578 PolarHBondContact O-N 3.2Å; W576-E578 PolarHBondContact O-N 3.19Å; E578-V580 PolarHBondContact O-N 2.93Å; E578-G582 PolarHBondContact O-N 3.47Å; E578-K587 WeakPolarHBondContact OE1-CA 3.22Å; E578-K587 WeakPolarHBondContact OE1-CG 3.36Å; E578-V588 HydrophobicContact CG-CB 3.67Å; E578-V588 HydrophobicContact CG-CG2 3.61Å; E578-V588 PolarHBondContact OE1-N 3Å
579	K	94.7	Very high	94	Very high	136 Å²	136	48.5 Å²	48.5	59%	0.591	25%	0.248	S	C	*	.	H	α-helix	trans	-60.4	-44.2	176.2	-176.5	-173.3	171.8	-164.8	0	111.8	E575 W576 E656	E575-K579 PolarHBondContact O-N 2.7Å; E575-K579 VanDerWaalsContact O-N 3.12Å; W576-K579 PolarHBondContact O-N 3.04Å; K579-E656 IonicContact NZ-OE1 2.7Å; K579-E656 PolarHBondContact NZ-OE1 3.38Å
580	V	94.2	Very high	94	Very high	35 Å²	35	46.3 Å²	46.3	21%	0.212	24%	0.238	C	C	.	.	H	α-helix	trans	-73.2	-41	-176.9	173.1	0	0	0	0	112.4	W576 A577 E578 I665 L668	W576-V580 HydrophobicContact CD2-CG2 4.14Å; W576-V580 HydrophobicContact CH2-CG2 4.4Å; W576-V580 HydrophobicContact CZ2-CG2 3.79Å; W576-V580 WeakPolarHBondContact O-CG2 3.11Å; W576-V580 PolarHBondContact O-N 2.87Å; A577-V580 PolarHBondContact O-N 2.8Å; E578-V580 PolarHBondContact O-N 2.93Å; V580-I665 HydrophobicContact CG1-CG1 4.11Å; V580-I665 HydrophobicContact CG1-CG2 4.34Å; V580-I665 HydrophobicContact CG2-CG1 4.43Å; V580-L668 HydrophobicContact CB-CD2 3.88Å; V580-L668 HydrophobicContact CG1-CD2 3.85Å
581	L	94.2	Very high	93.8	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-78.1	-27.3	-179.3	-67.5	172.7	0	0	0	112.4	A577 S583 K584 V585 V588 L633 L668 Y672	A577-L581 WeakPolarHBondContact O-CB 3.49Å; A577-L581 WeakPolarHBondContact O-CG 3.27Å; A577-L581 PolarHBondContact O-N 2.87Å; L581-S583 PolarHBondContact O-N 2.69Å; L581-K584 HydrophobicContact CD2-CD 4.37Å; L581-K584 VanDerWaalsContact O-CB 3.26Å; L581-K584 WeakPolarHBondContact O-CB 3.47Å; L581-K584 WeakPolarHBondContact O-CG 3.46Å; L581-K584 PolarHBondContact O-N 2.92Å; L581-K584 VanDerWaalsContact O-N 3.08Å; L581-V585 HydrophobicContact CB-CG1 4.36Å; L581-V585 HydrophobicContact CB-CG2 3.72Å; L581-V585 HydrophobicContact CD1-CG1 3.95Å; L581-V585 HydrophobicContact CD1-CG2 4.2Å; L581-V588 HydrophobicContact CD1-CG2 4.13Å; L581-L633 HydrophobicContact CD1-CD2 3.68Å; L581-L668 HydrophobicContact CD1-CD1 4.32Å; L581-L668 HydrophobicContact CD1-CD2 4.3Å; L581-L668 HydrophobicContact CD1-CG 4.38Å; L581-L668 HydrophobicContact CD2-CD2 4.34Å; L581-L668 HydrophobicContact CD2-CG 4.33Å; L581-L668 HydrophobicContact CG-CD2 3.94Å; L581-L668 HydrophobicContact CG-CG 4.3Å; L581-Y672 HydrophobicContact CD1-CD2 4.31Å; L581-Y672 HydrophobicContact CD2-CD1 4.38Å; L581-Y672 HydrophobicContact CD2-CD2 4.45Å; L581-Y672 HydrophobicContact CD2-CG 4.03Å
582	G	92.4	Very high	93.6	Very high	39 Å²	39	47.1 Å²	47.1	40%	0.402	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	52.8	-129.1	175.6	0	0	0	0	0	112.1	E578 K584 V585	E578-G582 PolarHBondContact O-N 3.47Å; G582-K584 PolarHBondContact O-N 2.78Å; G582-V585 PolarHBondContact O-N 3.14Å
583	S	90.4	Very high	93.4	Very high	75 Å²	75	45.6 Å²	45.6	52%	0.524	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-69.7	-0.2	-178	64.4	0	0	0	0	115.3	L581 V585 Y626	L581-S583 PolarHBondContact O-N 2.69Å; S583-V585 VanDerWaalsContact C-N 3.32Å; S583-Y626 WeakPolarHBondContact O-CB 3.42Å
584	K	91.3	Very high	93.2	Very high	62 Å²	62	45.6 Å²	45.6	27%	0.27	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-71.7	-28.8	175.5	-65.3	-179.3	-178	-179.3	0	112.1	L581 G582 Y626 P631 N669 Y672	L581-K584 HydrophobicContact CD2-CD 4.37Å; L581-K584 VanDerWaalsContact O-CB 3.26Å; L581-K584 WeakPolarHBondContact O-CB 3.47Å; L581-K584 WeakPolarHBondContact O-CG 3.46Å; L581-K584 PolarHBondContact O-N 2.92Å; L581-K584 VanDerWaalsContact O-N 3.08Å; G582-K584 PolarHBondContact O-N 2.78Å; K584-Y626 HydrophobicContact CB-CD2 4.44Å; K584-Y626 HydrophobicContact CG-CD2 4.22Å; K584-Y626 HydrophobicContact CG-CE2 4.04Å; K584-P631 WeakPolarHBondContact O-CG 3.27Å; K584-N669 PolarHBondContact NZ-OD1 3.12Å; K584-N669 VanDerWaalsContact NZ-OD1 3.12Å; K584-Y672 HydrophobicContact CB-CE1 4.26Å; K584-Y672 HydrophobicContact CD-CE1 4.16Å; K584-Y672 PolarHBondContact O-OH 3.27Å; K584-Y672 VanDerWaalsContact O-OH 3.06Å
585	V	93.4	Very high	92.8	Very high	18 Å²	18	47.7 Å²	47.7	11%	0.109	25%	0.245	C	C	.	.			trans	-124.3	152.3	-177.1	-65.7	0	0	0	0	111.2	L581 G582 S583 V588 P631 L633 Y672	L581-V585 HydrophobicContact CB-CG1 4.36Å; L581-V585 HydrophobicContact CB-CG2 3.72Å; L581-V585 HydrophobicContact CD1-CG1 3.95Å; L581-V585 HydrophobicContact CD1-CG2 4.2Å; G582-V585 PolarHBondContact O-N 3.14Å; S583-V585 VanDerWaalsContact C-N 3.32Å; V585-V588 HydrophobicContact CG2-CG2 4Å; V585-P631 CarbonylContact C-O 3.4Å; V585-P631 WeakPolarHBondContact CA-O 3.29Å; V585-P631 WeakPolarHBondContact CB-O 3.44Å; V585-L633 HydrophobicContact CG1-CB 4.41Å; V585-Y672 HydrophobicContact CG1-CD2 3.94Å; V585-Y672 HydrophobicContact CG1-CE2 3.44Å; V585-Y672 VanDerWaalsContact CG1-CE2 3.44Å
586	K	92.7	Very high	92.6	Very high	120 Å²	120	45.6 Å²	45.6	52%	0.522	24%	0.241	S	C	.	.	S	Bend	trans	-80.1	-38.1	169.4	175.5	165.4	179.6	168.1	0	111.9	E630 P631 I632	K586-E630 HydrophobicContact CB-CB 4.19Å; K586-E630 HydrophobicContact CD-CB 3.75Å; K586-E630 HydrophobicContact CD-CG 4.12Å; K586-E630 VanDerWaalsContact NZ-CD 3.27Å; K586-E630 IonicContact NZ-OE1 3.54Å; K586-E630 PolarHBondContact NZ-OE1 2.93Å; K586-E630 IonicContact NZ-OE2 3.43Å; K586-E630 PolarHBondContact NZ-OE2 3.14Å; K586-P631 PolarHBondContact N-O 3.45Å; K586-I632 HydrophobicContact CB-CG1 4.44Å
587	K	93.5	Very high	92.6	Very high	85 Å²	85	45.9 Å²	45.9	37%	0.37	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	149.7	-178.3	-166.1	-179.2	-178.8	-172.7	0	109.9	D555 E578 I632 L633	D555-K587 IonicContact OD2-NZ 2.83Å; D555-K587 PolarHBondContact OD2-NZ 3.42Å; E578-K587 WeakPolarHBondContact OE1-CA 3.22Å; E578-K587 WeakPolarHBondContact OE1-CG 3.36Å; K587-I632 HydrophobicContact CB-CG1 4.31Å; K587-I632 HydrophobicContact CB-CG2 4.31Å; K587-I632 VanDerWaalsContact O-CA 3.32Å; K587-I632 WeakPolarHBondContact O-CA 3.41Å; K587-L633 PolarHBondContact O-N 3.41Å
588	V	95.1	Very high	92.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140.9	162.5	-174.3	0	0	0	0	108.1	V574 A577 E578 L581 V585 L633 L635	V574-V588 HydrophobicContact CG1-CB 4.23Å; V574-V588 WeakPolarHBondContact CG1-O 3.39Å; V574-V588 HydrophobicContact CG2-CG1 4.37Å; A577-V588 HydrophobicContact CB-CB 4.48Å; A577-V588 HydrophobicContact CB-CG1 4.08Å; A577-V588 HydrophobicContact CB-CG2 4.18Å; E578-V588 HydrophobicContact CG-CB 3.67Å; E578-V588 HydrophobicContact CG-CG2 3.61Å; E578-V588 PolarHBondContact OE1-N 3Å; L581-V588 HydrophobicContact CD1-CG2 4.13Å; V585-V588 HydrophobicContact CG2-CG2 4Å; V588-L633 WeakPolarHBondContact CA-O 3.33Å; V588-L633 HydrophobicContact CG1-CB 4.34Å; V588-L633 HydrophobicContact CG1-CD2 4.39Å; V588-L633 HydrophobicContact CG1-CG 4.48Å; V588-L633 HydrophobicContact CG2-CB 4.25Å; V588-L635 HydrophobicContact CG1-CD1 3.97Å; V588-L635 HydrophobicContact CG1-CG 4.17Å
589	K	93.7	Very high	92.6	Very high	27 Å²	27	43.7 Å²	43.7	12%	0.117	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	164.9	173.9	60.2	171.8	-177.2	171.4	0	110.9	T554 D555 I632 L633 E634 L635	T554-K589 PolarHBondContact OG1-NZ 3.06Å; D555-K589 WeakPolarHBondContact OD1-CD 3.44Å; D555-K589 IonicContact OD1-NZ 3.21Å; K589-I632 HydrophobicContact CD-CG2 4.3Å; K589-I632 HydrophobicContact CG-CG2 4.07Å; K589-L633 PolarHBondContact N-O 3.17Å; K589-E634 HydrophobicContact CD-CG 4.3Å; K589-E634 WeakPolarHBondContact CE-OE1 3.5Å; K589-E634 HydrophobicContact CG-CG 3.94Å; K589-E634 IonicContact NZ-OE1 2.63Å; K589-E634 PolarHBondContact NZ-OE1 2.79Å; K589-E634 IonicContact NZ-OE2 3.14Å; K589-E634 CarbonylContact O-C 3.42Å; K589-E634 WeakPolarHBondContact O-CA 3.16Å; K589-L635 PolarHBondContact O-N 3.24Å
590	V	93.4	Very high	92.6	Very high	6 Å²	6	37.2 Å²	37.2	4%	0.036	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	159.6	165.7	-68.7	0	0	0	0	110.8	V557 A570 V574 L635 P637	V557-V590 HydrophobicContact CG2-CG2 4.14Å; A570-V590 HydrophobicContact CB-CG1 3.78Å; V574-V590 HydrophobicContact CG2-CG1 4.11Å; V590-L635 CarbonylContact C-O 3.51Å; V590-L635 VanDerWaalsContact CA-O 3.31Å; V590-L635 WeakPolarHBondContact CA-O 3.38Å; V590-P637 HydrophobicContact CB-CG 4.49Å
591	T	90.6	Very high	92.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.			trans	-141.5	137.3	177.8	-165	0	0	0	0	111.1	R593 L594 F600 E634 L635 P637	T591-R593 VanDerWaalsContact C-N 3.29Å; T591-R593 WeakPolarHBondContact OG1-CB 3.31Å; T591-R593 WeakPolarHBondContact OG1-CG 3.45Å; T591-R593 PolarHBondContact OG1-N 2.99Å; T591-L594 HydrophobicContact CG2-CD1 4.22Å; T591-L594 HydrophobicContact CG2-CG 4.06Å; T591-F600 HydrophobicContact CG2-CD1 4.5Å; T591-F600 HydrophobicContact CG2-CE1 3.96Å; T591-E634 WeakPolarHBondContact CB-OE2 3.47Å; T591-E634 HydrophobicContact CG2-CB 3.84Å; T591-E634 PolarHBondContact OG1-OE2 3.35Å; T591-L635 PolarHBondContact N-O 2.97Å; T591-P637 VanDerWaalsContact O-CD 3.28Å; T591-P637 WeakPolarHBondContact O-CD 3.49Å
592	Q	88.7	Confident	92.5	Very high	68 Å²	68	35.6 Å²	35.6	32%	0.318	20%	0.198	S	C	.	.	S	Bend	trans	-89.5	1.6	171.3	-62.4	179.3	30.6	0	0	112.2	K510 S556 V557	K510-Q592 VanDerWaalsContact CD-O 3.24Å; K510-Q592 WeakPolarHBondContact CD-O 3.46Å; K510-Q592 WeakPolarHBondContact CE-O 3.45Å; K510-Q592 PolarHBondContact NZ-O 2.91Å; S556-Q592 PolarHBondContact O-NE2 3.29Å; V557-Q592 VanDerWaalsContact C-NE2 3.31Å
593	R	88.7	Confident	92.4	Very high	19 Å²	19	33.9 Å²	33.9	7%	0.072	18%	0.18	C	C	.	.	S	Bend	trans	-78.1	-23.6	-172.2	-63.8	176.9	171.9	156.5	-1.7	113.3	A507 K510 I547 D550 T591 E634	A507-R593 WeakPolarHBondContact CA-O 3.28Å; A507-R593 HydrophobicContact CB-CB 3.74Å; K510-R593 WeakPolarHBondContact CD-O 3.45Å; I547-R593 PolarHBondContact O-NH1 2.7Å; D550-R593 VanDerWaalsContact CB-NH2 3.26Å; D550-R593 PolarHBondContact O-NH2 3.44Å; D550-R593 IonicContact OD2-CZ 2.99Å; D550-R593 IonicContact OD2-NE 3.63Å; D550-R593 IonicContact OD2-NH2 3.79Å; D550-R593 PolarHBondContact OD2-NH2 3.18Å; T591-R593 VanDerWaalsContact C-N 3.29Å; T591-R593 WeakPolarHBondContact OG1-CB 3.31Å; T591-R593 WeakPolarHBondContact OG1-CG 3.45Å; T591-R593 PolarHBondContact OG1-N 2.99Å; R593-E634 IonicContact NH1-OE1 3.02Å
594	L	91.5	Very high	92.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.			trans	-95.4	161.6	-179.5	-59.9	-178.9	0	0	0	112.3	P503 A507 K510 T591 H597 F600 N636	P503-L594 HydrophobicContact CB-CD2 4.03Å; P503-L594 WeakPolarHBondContact O-CD2 3.22Å; A507-L594 HydrophobicContact CB-CD2 4.38Å; K510-L594 PolarHBondContact NZ-O 2.98Å; T591-L594 HydrophobicContact CG2-CD1 4.22Å; T591-L594 HydrophobicContact CG2-CG 4.06Å; L594-H597 HydrophobicContact CD1-CB 4.05Å; L594-H597 HydrophobicContact CD2-CB 4.34Å; L594-F600 HydrophobicContact CD1-CD1 3.6Å; L594-F600 HydrophobicContact CD1-CE1 4.29Å; L594-F600 HydrophobicContact CD2-CD1 3.88Å; L594-F600 HydrophobicContact CD2-CE1 4.24Å; L594-F600 HydrophobicContact CG-CD1 3.86Å; L594-F600 HydrophobicContact CG-CE1 4.14Å; L594-N636 HydrophobicContact CB-CB 3.94Å; L594-N636 HydrophobicContact CD1-CB 4.11Å
595	S	87	Confident	91.7	Very high	67 Å²	67	41.9 Å²	41.9	47%	0.469	20%	0.203	S	C	.	.	S	Bend	trans	-134.5	-53.8	172.4	66.5	0	0	0	0	110.9	E506 N636	E506-S595 WeakPolarHBondContact OE1-CA 3.31Å; E506-S595 VanDerWaalsContact OE1-CB 3.25Å; E506-S595 WeakPolarHBondContact OE1-CB 3.11Å; E506-S595 PolarHBondContact OE1-N 3.3Å; E506-S595 PolarHBondContact OE1-OG 3.46Å; S595-N636 PolarHBondContact O-ND2 3.47Å
596	T	92	Very high	91.2	Very high	96 Å²	96	41.2 Å²	41.2	59%	0.589	20%	0.199	S	C	*	.	S	Bend	trans	-92.8	-31.5	-177.1	59.6	0	0	0	0	113.2	E506 H639	E506-T596 PolarHBondContact OE1-N 3.35Å; E506-T596 PolarHBondContact OE1-OG1 3.45Å; E506-T596 PolarHBondContact OE2-OG1 2.89Å; T596-H639 PolarHBondContact O-CD2 2.97Å; T596-H639 PolarHBondContact O-NE2 3.17Å
597	H	95.6	Very high	90.7	Very high	32 Å²	32	35.8 Å²	35.8	15%	0.148	18%	0.177	C	C	.	.			trans	-85.2	144.9	179.4	-63.6	92.5	0	0	0	111.9	S501 P503 E506 L594 N636	S501-H597 PolarHBondContact O-CE1 2.9Å; S501-H597 PolarHBondContact O-NE2 3Å; S501-H597 VanDerWaalsContact O-NE2 3.13Å; P503-H597 HydrophobicContact CB-CB 4.11Å; E506-H597 IonicContact OE2-CE1 2.71Å; E506-H597 IonicContact OE2-CG 2.86Å; E506-H597 IonicContact OE2-ND1 3.74Å; E506-H597 PolarHBondContact OE2-ND1 3.1Å; L594-H597 HydrophobicContact CD1-CB 4.05Å; L594-H597 HydrophobicContact CD2-CB 4.34Å; H597-N636 VanDerWaalsContact O-CB 3.3Å; H597-N636 WeakPolarHBondContact O-CB 3.49Å; H597-N636 PolarHBondContact O-ND2 3.34Å
598	P	96.2	Very high	90.2	Very high	26 Å²	26	32.3 Å²	32.3	17%	0.169	16%	0.164	C	C	.	.	S	Bend	trans	-74	-34.2	177.3	27.1	-33.4	0	0	0	113	N636 H639 V642 L671	P598-N636 VanDerWaalsContact O-CB 3.29Å; P598-N636 WeakPolarHBondContact O-CB 3.4Å; P598-N636 PolarHBondContact O-N 2.98Å; P598-H639 HydrophobicContact CB-CB 4.37Å; P598-V642 HydrophobicContact CB-CG2 4.13Å; P598-V642 VanDerWaalsContact O-CG2 3.27Å; P598-V642 WeakPolarHBondContact O-CG2 3.49Å; P598-L671 HydrophobicContact CB-CD2 3.72Å; P598-L671 HydrophobicContact CG-CD2 3.67Å
599	C	95.9	Very high	89.7	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	168	-177.7	60	0	0	0	0	111.1	L633 E634 L635 L671	C599-L633 HydrophobicContact CB-CD1 4.1Å; C599-E634 CarbonylContact C-O 3.54Å; C599-E634 WeakPolarHBondContact CA-O 3.42Å; C599-E634 WeakPolarHBondContact CB-O 3.43Å; C599-L635 HydrophobicContact CB-CD2 3.8Å; C599-L671 PolarHBondContact SG-O 3.45Å
600	F	94.8	Very high	89.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	171.1	165.2	74.2	-80.3	0	0	0	110	P503 Y504 I547 T591 L594 E634	P503-F600 HydrophobicContact CB-CB 3.95Å; P503-F600 HydrophobicContact CG-CB 4.09Å; Y504-F600 AromaticContact CD1-CD2 3.94Å; Y504-F600 HydrophobicContact CD1-CD2 3.94Å; Y504-F600 HydrophobicContact CD1-CE2 4.29Å; Y504-F600 AromaticContact CE1-CD2 3.54Å; Y504-F600 HydrophobicContact CE1-CD2 3.54Å; Y504-F600 HydrophobicContact CE1-CE2 4.16Å; Y504-F600 HydrophobicContact CE1-CG 4.47Å; I547-F600 HydrophobicContact CG2-CE2 3.74Å; I547-F600 HydrophobicContact CG2-CZ 3.71Å; T591-F600 HydrophobicContact CG2-CD1 4.5Å; T591-F600 HydrophobicContact CG2-CE1 3.96Å; L594-F600 HydrophobicContact CD1-CD1 3.6Å; L594-F600 HydrophobicContact CD1-CE1 4.29Å; L594-F600 HydrophobicContact CD2-CD1 3.88Å; L594-F600 HydrophobicContact CD2-CE1 4.24Å; L594-F600 HydrophobicContact CG-CD1 3.86Å; L594-F600 HydrophobicContact CG-CE1 4.14Å; F600-E634 HydrophobicContact CD1-CB 3.86Å; F600-E634 HydrophobicContact CE1-CB 3.57Å; F600-E634 HydrophobicContact CE1-CG 4.06Å; F600-E634 WeakPolarHBondContact CE1-OE2 3.28Å; F600-E634 HydrophobicContact CE2-CG 4.36Å; F600-E634 HydrophobicContact CZ-CB 3.95Å; F600-E634 HydrophobicContact CZ-CG 3.9Å; F600-E634 VanDerWaalsContact CZ-OE2 3.23Å; F600-E634 WeakPolarHBondContact CZ-OE2 3.48Å; F600-E634 PolarHBondContact N-O 3.49Å; F600-E634 VanDerWaalsContact N-O 3.08Å; F600-E634 PolarHBondContact O-N 3.41Å
601	V	94.3	Very high	88.7	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.4	175.7	162.5	0	0	0	0	109.7	Y504 V603 P631 I632 L633 Y672 A675 M676	Y504-V601 WeakPolarHBondContact CE1-O 3.44Å; Y504-V601 PolarHBondContact OH-O 3.33Å; V601-V603 HydrophobicContact CG1-CG2 3.81Å; V601-P631 HydrophobicContact CG1-CB 3.57Å; V601-I632 CarbonylContact C-O 3.54Å; V601-I632 VanDerWaalsContact CA-O 3.29Å; V601-I632 WeakPolarHBondContact CA-O 3.39Å; V601-L633 HydrophobicContact CG2-CD1 4.05Å; V601-Y672 HydrophobicContact CG2-CE2 4.47Å; V601-A675 HydrophobicContact CB-CB 4.44Å; V601-A675 HydrophobicContact CG2-CB 3.75Å; V601-M676 HydrophobicContact CB-SD 4.37Å; V601-M676 HydrophobicContact CG1-SD 3.95Å; V601-M676 HydrophobicContact CG2-CG 4.33Å; V601-M676 HydrophobicContact CG2-SD 4.04Å
602	S	91.9	Very high	88.2	Confident	5 Å²	5	38.5 Å²	38.5	4%	0.035	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.6	169.1	48.7	0	0	0	0	110.6	I632 E634	S602-I632 PolarHBondContact N-O 3.23Å; S602-I632 PolarHBondContact O-N 2.91Å; S602-E634 PolarHBondContact OG-OE1 3.31Å
603	V	89.1	Confident	87.8	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.024	18%	0.182	C	C	.	.			trans	-134.3	130	177.3	169.1	0	0	0	0	107.5	V601 A606 M609 I629 P631 L681	V601-V603 HydrophobicContact CG1-CG2 3.81Å; V603-A606 HydrophobicContact CB-CB 4.38Å; V603-M609 HydrophobicContact CG1-CB 4.29Å; V603-M609 HydrophobicContact CG1-CG 3.82Å; V603-I629 HydrophobicContact CG1-CG2 4.13Å; V603-I629 HydrophobicContact CG2-CG2 3.69Å; V603-P631 HydrophobicContact CG2-CB 4Å; V603-L681 HydrophobicContact CB-CD1 4.29Å; V603-L681 HydrophobicContact CG2-CD1 3.72Å
604	R	83.6	Confident	87.1	Confident	174 Å²	174	41.9 Å²	41.9	66%	0.657	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	134.2	171.6	-61.9	-173.5	77	-172.4	1.8	108.1	A548 D549 A606	A548-R604 HydrophobicContact CB-CG 4.18Å; D549-R604 IonicContact OD1-NE 3.19Å; D549-R604 IonicContact OD1-NH2 3.26Å; R604-A606 VanDerWaalsContact C-N 3.35Å; R604-A606 PolarHBondContact O-N 3.47Å
605	E	83.1	Confident	86.3	Confident	130 Å²	130	44.2 Å²	44.2	61%	0.607	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	44.4	-177.9	-51.9	-176.8	167.5	0	0	113.3	G607 A608 M609	E605-G607 PolarHBondContact O-N 2.8Å; E605-G607 VanDerWaalsContact O-N 3.1Å; E605-A608 HydrophobicContact CB-CB 4.02Å; E605-A608 WeakPolarHBondContact O-CB 3.48Å; E605-A608 PolarHBondContact O-N 3.1Å; E605-M609 PolarHBondContact O-N 3.25Å; E605-M609 VanDerWaalsContact O-N 3.09Å
606	A	84.2	Confident	85.6	Confident	4 Å²	4	44.5 Å²	44.5	3%	0.033	22%	0.219	C	C	.	.	H	α-helix	trans	-48.9	-41	-177.6	0	0	0	0	0	113.5	E544 V603 R604 M609 R610	E544-A606 HydrophobicContact CB-CB 4.02Å; V603-A606 HydrophobicContact CB-CB 4.38Å; R604-A606 VanDerWaalsContact C-N 3.35Å; R604-A606 PolarHBondContact O-N 3.47Å; A606-M609 PolarHBondContact O-N 3.4Å; A606-R610 WeakPolarHBondContact O-CG 3.42Å; A606-R610 PolarHBondContact O-N 2.94Å
607	G	82	Confident	84.5	Confident	6 Å²	6	40.7 Å²	40.7	6%	0.062	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-40.5	177.3	0	0	0	0	0	114.2	E526 E605 M609 R610 H611	E526-G607 WeakPolarHBondContact OE1-CA 3.09Å; E526-G607 PolarHBondContact OE1-N 3Å; E605-G607 PolarHBondContact O-N 2.8Å; E605-G607 VanDerWaalsContact O-N 3.1Å; G607-M609 VanDerWaalsContact C-N 3.33Å; G607-M609 PolarHBondContact O-N 3.42Å; G607-R610 PolarHBondContact O-N 3.33Å; G607-H611 PolarHBondContact O-N 3.37Å; G607-H611 VanDerWaalsContact O-N 3.14Å
608	A	82.6	Confident	83.3	Confident	12 Å²	12	40.9 Å²	40.9	10%	0.099	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-47	172.8	0	0	0	0	0	109.7	M530 E605 R610 H611 F612	M530-A608 HydrophobicContact CE-CB 3.8Å; E605-A608 HydrophobicContact CB-CB 4.02Å; E605-A608 WeakPolarHBondContact O-CB 3.48Å; E605-A608 PolarHBondContact O-N 3.1Å; A608-R610 PolarHBondContact O-N 3.4Å; A608-H611 WeakPolarHBondContact O-CB 3.36Å; A608-H611 PolarHBondContact O-N 2.99Å; A608-H611 VanDerWaalsContact O-N 3.12Å; A608-F612 HydrophobicContact CB-CD2 4.3Å; A608-F612 HydrophobicContact CB-CE2 4.42Å; A608-F612 WeakPolarHBondContact O-CD2 3.41Å; A608-F612 PolarHBondContact O-N 3.01Å
609	M	84.7	Confident	82.4	Confident	21 Å²	21	46.4 Å²	46.4	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-41	-178.1	-67.1	-56	111.5	0	0	112.7	V603 E605 A606 G607 H611 F612 L613 V628 L681	V603-M609 HydrophobicContact CG1-CB 4.29Å; V603-M609 HydrophobicContact CG1-CG 3.82Å; E605-M609 PolarHBondContact O-N 3.25Å; E605-M609 VanDerWaalsContact O-N 3.09Å; A606-M609 PolarHBondContact O-N 3.4Å; G607-M609 VanDerWaalsContact C-N 3.33Å; G607-M609 PolarHBondContact O-N 3.42Å; M609-H611 VanDerWaalsContact C-N 3.31Å; M609-H611 PolarHBondContact O-N 2.91Å; M609-F612 HydrophobicContact CE-CD2 3.91Å; M609-F612 HydrophobicContact CE-CE2 4.43Å; M609-F612 PolarHBondContact O-N 3.45Å; M609-L613 WeakPolarHBondContact O-CB 3.34Å; M609-L613 WeakPolarHBondContact O-CG 3.49Å; M609-L613 PolarHBondContact O-N 3.1Å; M609-V628 HydrophobicContact SD-CG1 4.2Å; M609-L681 HydrophobicContact CB-CD2 4.15Å
610	R	86	Confident	81.7	Confident	13 Å²	13	52.2 Å²	52.2	5%	0.049	25%	0.252	C	S	.	.	H	α-helix	trans	-57.3	-44.5	171.9	-71.1	168.6	-174.1	150.4	1.7	111.5	E526 E544 A606 G607 A608 L613 R614 A679 L681	E526-R610 VanDerWaalsContact CD-NH1 3.35Å; E526-R610 IonicContact OE1-CZ 3.67Å; E526-R610 IonicContact OE1-NH1 3.9Å; E526-R610 PolarHBondContact OE1-NH1 2.95Å; E526-R610 VanDerWaalsContact OE2-CD 3.28Å; E526-R610 WeakPolarHBondContact OE2-CD 3.43Å; E526-R610 IonicContact OE2-NH1 3.94Å; E526-R610 PolarHBondContact OE2-NH1 3.1Å; E544-R610 IonicContact OE1-CZ 3.09Å; E544-R610 IonicContact OE1-NH1 3.59Å; E544-R610 PolarHBondContact OE1-NH1 3.21Å; E544-R610 IonicContact OE1-NH2 2.67Å; E544-R610 PolarHBondContact OE1-NH2 3.22Å; A606-R610 WeakPolarHBondContact O-CG 3.42Å; A606-R610 PolarHBondContact O-N 2.94Å; G607-R610 PolarHBondContact O-N 3.33Å; A608-R610 PolarHBondContact O-N 3.4Å; R610-L613 PolarHBondContact O-N 3.42Å; R610-R614 WeakPolarHBondContact O-CG 3.49Å; R610-R614 PolarHBondContact O-N 3.03Å; R610-A679 PolarHBondContact NE-O 3.49Å; R610-A679 PolarHBondContact NH2-O 2.78Å; R610-L681 HydrophobicContact CG-CD2 3.72Å
611	H	80.1	Confident	81.1	Confident	32 Å²	32	56.3 Å²	56.3	15%	0.148	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-44	177.8	177.1	-92.3	0	0	0	112.6	C26 G607 A608 M609 L613 R614 T615	C26-H611 PolarHBondContact SG-NE2 2.69Å; G607-H611 PolarHBondContact O-N 3.37Å; G607-H611 VanDerWaalsContact O-N 3.14Å; A608-H611 WeakPolarHBondContact O-CB 3.36Å; A608-H611 PolarHBondContact O-N 2.99Å; A608-H611 VanDerWaalsContact O-N 3.12Å; M609-H611 VanDerWaalsContact C-N 3.31Å; M609-H611 PolarHBondContact O-N 2.91Å; H611-L613 VanDerWaalsContact C-N 3.3Å; H611-L613 PolarHBondContact O-N 3.12Å; H611-R614 PolarHBondContact O-N 3.41Å; H611-T615 PolarHBondContact O-N 3.11Å; H611-T615 VanDerWaalsContact O-N 3.12Å; H611-T615 PolarHBondContact O-OG1 3.26Å
612	F	80	Confident	80.3	Confident	97 Å²	97	58.2 Å²	58.2	43%	0.425	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-38.5	175.6	-87	-72.3	0	0	0	112	A608 M609 T615 S616 L617	A608-F612 HydrophobicContact CB-CD2 4.3Å; A608-F612 HydrophobicContact CB-CE2 4.42Å; A608-F612 WeakPolarHBondContact O-CD2 3.41Å; A608-F612 PolarHBondContact O-N 3.01Å; M609-F612 HydrophobicContact CE-CD2 3.91Å; M609-F612 HydrophobicContact CE-CE2 4.43Å; M609-F612 PolarHBondContact O-N 3.45Å; F612-T615 PolarHBondContact O-N 2.93Å; F612-T615 PolarHBondContact O-OG1 3.1Å; F612-S616 PolarHBondContact O-N 3.37Å; F612-L617 HydrophobicContact CB-CD1 4.12Å; F612-L617 PolarHBondContact O-N 3.16Å
613	L	80.2	Confident	79.7	Confident	24 Å²	24	63.6 Å²	63.6	13%	0.126	32%	0.319	C	S	.	.	I	π-helix	trans	-60.3	-44.4	173.4	-79.8	169.9	0	0	0	112.9	M609 R610 H611 T615 L617 A618 I629 L681	M609-L613 WeakPolarHBondContact O-CB 3.34Å; M609-L613 WeakPolarHBondContact O-CG 3.49Å; M609-L613 PolarHBondContact O-N 3.1Å; R610-L613 PolarHBondContact O-N 3.42Å; H611-L613 VanDerWaalsContact C-N 3.3Å; H611-L613 PolarHBondContact O-N 3.12Å; L613-T615 VanDerWaalsContact C-N 3.31Å; L613-T615 PolarHBondContact O-N 3.26Å; L613-L617 HydrophobicContact CD2-CB 3.98Å; L613-L617 HydrophobicContact CD2-CD1 4.18Å; L613-L617 HydrophobicContact CG-CD1 4.38Å; L613-A618 WeakPolarHBondContact O-CB 3.29Å; L613-A618 PolarHBondContact O-N 3.21Å; L613-I629 HydrophobicContact CD1-CD1 3.93Å; L613-I629 HydrophobicContact CD2-CD1 4.11Å; L613-I629 HydrophobicContact CG-CD1 4.33Å; L613-L681 HydrophobicContact CD1-CB 4.11Å; L613-L681 HydrophobicContact CD1-CD2 3.45Å; L613-L681 VanDerWaalsContact CD1-CD2 3.45Å; L613-L681 HydrophobicContact CD1-CG 4.38Å
614	R	75.5	Confident	79.4	Confident	134 Å²	134	66.7 Å²	66.7	51%	0.506	33%	0.333	S	S	.	.	I	π-helix	trans	-70.3	-25.4	179.6	-67.9	174.7	-170.9	162.8	4	113.7	P523 R610 H611	P523-R614 PolarHBondContact O-NH1 3.26Å; R610-R614 WeakPolarHBondContact O-CG 3.49Å; R610-R614 PolarHBondContact O-N 3.03Å; H611-R614 PolarHBondContact O-N 3.41Å
615	T	72.9	Confident	79.3	Confident	49 Å²	49	60 Å²	60	30%	0.301	31%	0.308	S	S	.	.	I	π-helix	trans	-105.2	-57	-171.5	52.1	0	0	0	0	113.9	V22 H611 F612 L613	V22-T615 HydrophobicContact CG1-CG2 3.66Å; H611-T615 PolarHBondContact O-N 3.11Å; H611-T615 VanDerWaalsContact O-N 3.12Å; H611-T615 PolarHBondContact O-OG1 3.26Å; F612-T615 PolarHBondContact O-N 2.93Å; F612-T615 PolarHBondContact O-OG1 3.1Å; L613-T615 VanDerWaalsContact C-N 3.31Å; L613-T615 PolarHBondContact O-N 3.26Å
616	S	72.2	Confident	79.4	Confident	73 Å²	73	56.2 Å²	56.2	51%	0.51	29%	0.289	S	S	.	.	I	π-helix	trans	-116	-30.5	-162	-55.2	0	0	0	0	113.5	F612	F612-S616 PolarHBondContact O-N 3.37Å
617	L	69.8	Low	79.4	Confident	16 Å²	16	63.9 Å²	63.9	8%	0.084	32%	0.317	C	S	.	.	I	π-helix	trans	-92.3	-11.7	-177.7	-67.1	172.3	0	0	0	113.3	F612 L613 D619 R620 R625 V628	F612-L617 HydrophobicContact CB-CD1 4.12Å; F612-L617 PolarHBondContact O-N 3.16Å; L613-L617 HydrophobicContact CD2-CB 3.98Å; L613-L617 HydrophobicContact CD2-CD1 4.18Å; L613-L617 HydrophobicContact CG-CD1 4.38Å; L617-D619 PolarHBondContact O-N 3.18Å; L617-D619 VanDerWaalsContact O-N 3.11Å; L617-R620 HydrophobicContact CD2-CG 4.15Å; L617-R620 WeakPolarHBondContact O-CB 3.17Å; L617-R620 PolarHBondContact O-N 3.13Å; L617-R625 HydrophobicContact CB-CG 4.25Å; L617-R625 WeakPolarHBondContact O-CD 3.5Å; L617-V628 HydrophobicContact CD1-CB 4.39Å; L617-V628 HydrophobicContact CD1-CG1 3.97Å; L617-V628 HydrophobicContact CD2-CG2 4.4Å
618	A	70.8	Confident	79.5	Confident	36 Å²	36	67 Å²	67	30%	0.298	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-35.1	-177.6	0	0	0	0	0	113.5	L613	L613-A618 WeakPolarHBondContact O-CB 3.29Å; L613-A618 PolarHBondContact O-N 3.21Å
619	D	77.8	Confident	79.7	Confident	142 Å²	142	66.8 Å²	66.8	76%	0.759	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	7.6	-177.6	-58.5	-34.5	0	0	0	113	L617	L617-D619 PolarHBondContact O-N 3.18Å; L617-D619 VanDerWaalsContact O-N 3.11Å
620	R	79.3	Confident	79.9	Confident	124 Å²	124	70.1 Å²	70.1	47%	0.468	35%	0.347	S	S	.	.	S	Bend	trans	-94.1	146.6	-177.4	-63.7	-68.4	-176.6	151.5	-7.2	112.6	L617 E624 R625	L617-R620 HydrophobicContact CD2-CG 4.15Å; L617-R620 WeakPolarHBondContact O-CB 3.17Å; L617-R620 PolarHBondContact O-N 3.13Å; R620-E624 IonicContact CZ-OE1 3.6Å; R620-E624 IonicContact NH1-OE1 2.66Å; R620-E624 PolarHBondContact NH1-OE1 2.83Å; R620-E624 IonicContact NH1-OE2 2.93Å; R620-R625 HydrophobicContact CB-CG 4.13Å; R620-R625 PolarHBondContact O-NE 3.01Å; R620-R625 VanDerWaalsContact O-NE 3.1Å
621	P	82.4	Confident	80.3	Confident	85 Å²	85	69.5 Å²	69.5	55%	0.552	35%	0.345	S	S	*	.			trans	-54.9	146.5	173.5	-23.3	33.3	0	0	0	112.4	E623 E624 R625	P621-E623 VanDerWaalsContact C-N 3.3Å; P621-E623 PolarHBondContact O-N 2.9Å; P621-E624 PolarHBondContact O-N 3.01Å; P621-E624 VanDerWaalsContact O-N 3.09Å; P621-R625 PolarHBondContact O-N 3.38Å
622	A	79.1	Confident	80.9	Confident	41 Å²	41	70 Å²	70	34%	0.339	35%	0.347	S	S	.	.	H	α-helix	trans	-55.8	-39.8	-174.9	0	0	0	0	0	113.6	E624 R625 Y626	A622-E624 VanDerWaalsContact C-N 3.33Å; A622-E624 PolarHBondContact O-N 2.85Å; A622-R625 WeakPolarHBondContact O-CB 3.47Å; A622-R625 PolarHBondContact O-N 3.16Å; A622-R625 VanDerWaalsContact O-N 3.14Å; A622-Y626 HydrophobicContact CB-CE2 3.88Å; A622-Y626 WeakPolarHBondContact O-CD2 3.46Å; A622-Y626 PolarHBondContact O-N 2.73Å
623	E	78.5	Confident	81.7	Confident	118 Å²	118	65.3 Å²	65.3	55%	0.551	33%	0.327	S	S	*	.	H	α-helix	trans	-64.8	-33.4	178.9	-65.4	-179	-178.7	0	0	114	P621 R625 R627	P621-E623 VanDerWaalsContact C-N 3.3Å; P621-E623 PolarHBondContact O-N 2.9Å; E623-R625 VanDerWaalsContact C-N 3.32Å; E623-R627 WeakPolarHBondContact O-CG 3.4Å; E623-R627 PolarHBondContact O-N 3.45Å; E623-R627 PolarHBondContact O-NE 3.2Å; E623-R627 VanDerWaalsContact O-NE 3.14Å; E623-R627 IonicContact OE2-NH2 3.1Å
624	E	81.8	Confident	82.4	Confident	69 Å²	69	64.2 Å²	64.2	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-70.4	-37.5	175	-166.7	177.9	168.1	0	0	109.4	R620 P621 A622 R627 V628	R620-E624 IonicContact CZ-OE1 3.6Å; R620-E624 IonicContact NH1-OE1 2.66Å; R620-E624 PolarHBondContact NH1-OE1 2.83Å; R620-E624 IonicContact NH1-OE2 2.93Å; P621-E624 PolarHBondContact O-N 3.01Å; P621-E624 VanDerWaalsContact O-N 3.09Å; A622-E624 VanDerWaalsContact C-N 3.33Å; A622-E624 PolarHBondContact O-N 2.85Å; E624-R627 PolarHBondContact O-N 3.16Å; E624-V628 WeakPolarHBondContact O-CG2 3.48Å; E624-V628 PolarHBondContact O-N 2.92Å
625	R	82.9	Confident	83.3	Confident	33 Å²	33	57.8 Å²	57.8	13%	0.125	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-46.9	177.3	-63.7	-174.1	-82.2	153.1	-16	112.6	L617 R620 P621 A622 E623 R627 V628 I629 D683	L617-R625 HydrophobicContact CB-CG 4.25Å; L617-R625 WeakPolarHBondContact O-CD 3.5Å; R620-R625 HydrophobicContact CB-CG 4.13Å; R620-R625 PolarHBondContact O-NE 3.01Å; R620-R625 VanDerWaalsContact O-NE 3.1Å; P621-R625 PolarHBondContact O-N 3.38Å; A622-R625 WeakPolarHBondContact O-CB 3.47Å; A622-R625 PolarHBondContact O-N 3.16Å; A622-R625 VanDerWaalsContact O-N 3.14Å; E623-R625 VanDerWaalsContact C-N 3.32Å; R625-R627 VanDerWaalsContact C-N 3.28Å; R625-R627 PolarHBondContact O-N 2.9Å; R625-V628 PolarHBondContact O-N 3.27Å; R625-V628 VanDerWaalsContact O-N 3.1Å; R625-I629 HydrophobicContact CB-CD1 4.46Å; R625-I629 VanDerWaalsContact O-CG1 3.28Å; R625-I629 WeakPolarHBondContact O-CG1 3.36Å; R625-I629 PolarHBondContact O-N 3.32Å; R625-D683 IonicContact CZ-OD2 2.8Å; R625-D683 IonicContact NH1-OD2 3.78Å; R625-D683 PolarHBondContact NH1-OD2 3.49Å; R625-D683 IonicContact NH2-OD2 2.79Å; R625-D683 PolarHBondContact NH2-OD2 2.94Å
626	Y	84.1	Confident	84.4	Confident	51 Å²	51	55.5 Å²	55.5	20%	0.2	28%	0.283	C	S	.	.	H	α-helix	trans	-64	-34.5	179	-59.7	-52.8	0	0	0	112.7	S583 K584 A622 V628 E630 M676	S583-Y626 WeakPolarHBondContact O-CB 3.42Å; K584-Y626 HydrophobicContact CB-CD2 4.44Å; K584-Y626 HydrophobicContact CG-CD2 4.22Å; K584-Y626 HydrophobicContact CG-CE2 4.04Å; A622-Y626 HydrophobicContact CB-CE2 3.88Å; A622-Y626 WeakPolarHBondContact O-CD2 3.46Å; A622-Y626 PolarHBondContact O-N 2.73Å; Y626-V628 VanDerWaalsContact C-N 3.28Å; Y626-V628 PolarHBondContact O-N 2.89Å; Y626-E630 PolarHBondContact O-N 2.6Å; Y626-M676 HydrophobicContact CE1-CE 4.41Å
627	R	83.9	Confident	85.4	Confident	166 Å²	166	52 Å²	52	63%	0.626	26%	0.259	S	S	*	.	H	α-helix	trans	-65.6	-30	173.6	-80	-176.4	-85.8	-160.6	-7.8	113.5	E623 E624 R625 E630	E623-R627 WeakPolarHBondContact O-CG 3.4Å; E623-R627 PolarHBondContact O-N 3.45Å; E623-R627 PolarHBondContact O-NE 3.2Å; E623-R627 VanDerWaalsContact O-NE 3.14Å; E623-R627 IonicContact OE2-NH2 3.1Å; E624-R627 PolarHBondContact O-N 3.16Å; R625-R627 VanDerWaalsContact C-N 3.28Å; R625-R627 PolarHBondContact O-N 2.9Å; R627-E630 WeakPolarHBondContact O-CG 3.47Å
628	V	84.8	Confident	86.5	Confident	70 Å²	70	53.9 Å²	53.9	42%	0.424	27%	0.267	S	S	.	.	H	α-helix	trans	-83.4	-42	177.5	175.5	0	0	0	0	111.4	M609 L617 E624 R625 Y626	M609-V628 HydrophobicContact SD-CG1 4.2Å; L617-V628 HydrophobicContact CD1-CB 4.39Å; L617-V628 HydrophobicContact CD1-CG1 3.97Å; L617-V628 HydrophobicContact CD2-CG2 4.4Å; E624-V628 WeakPolarHBondContact O-CG2 3.48Å; E624-V628 PolarHBondContact O-N 2.92Å; R625-V628 PolarHBondContact O-N 3.27Å; R625-V628 VanDerWaalsContact O-N 3.1Å; Y626-V628 VanDerWaalsContact C-N 3.28Å; Y626-V628 PolarHBondContact O-N 2.89Å
629	I	87	Confident	87.7	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-72.3	-34.4	-178.2	-63.8	164.8	0	0	0	111.4	V603 L613 R625 P631 L681	V603-I629 HydrophobicContact CG1-CG2 4.13Å; V603-I629 HydrophobicContact CG2-CG2 3.69Å; L613-I629 HydrophobicContact CD1-CD1 3.93Å; L613-I629 HydrophobicContact CD2-CD1 4.11Å; L613-I629 HydrophobicContact CG-CD1 4.33Å; R625-I629 HydrophobicContact CB-CD1 4.46Å; R625-I629 VanDerWaalsContact O-CG1 3.28Å; R625-I629 WeakPolarHBondContact O-CG1 3.36Å; R625-I629 PolarHBondContact O-N 3.32Å; I629-P631 HydrophobicContact CG2-CB 4.21Å; I629-P631 HydrophobicContact CG2-CG 4.34Å; I629-L681 HydrophobicContact CG2-CD1 3.93Å
630	E	89.8	Confident	88.5	Confident	92 Å²	92	54.6 Å²	54.6	43%	0.43	26%	0.259	S	S	.	.			trans	49.8	54.4	-176.5	-66.2	-162	134.2	0	0	114.3	K586 Y626 R627	K586-E630 HydrophobicContact CB-CB 4.19Å; K586-E630 HydrophobicContact CD-CB 3.75Å; K586-E630 HydrophobicContact CD-CG 4.12Å; K586-E630 VanDerWaalsContact NZ-CD 3.27Å; K586-E630 IonicContact NZ-OE1 3.54Å; K586-E630 PolarHBondContact NZ-OE1 2.93Å; K586-E630 IonicContact NZ-OE2 3.43Å; K586-E630 PolarHBondContact NZ-OE2 3.14Å; Y626-E630 PolarHBondContact O-N 2.6Å; R627-E630 WeakPolarHBondContact O-CG 3.47Å
631	P	92.9	Very high	89.3	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.252	C	S	.	.			trans	-71.5	139.3	-172.8	29.8	-32.4	0	0	0	112.2	K584 V585 K586 V601 V603 I629 M676	K584-P631 WeakPolarHBondContact O-CG 3.27Å; V585-P631 CarbonylContact C-O 3.4Å; V585-P631 WeakPolarHBondContact CA-O 3.29Å; V585-P631 WeakPolarHBondContact CB-O 3.44Å; K586-P631 PolarHBondContact N-O 3.45Å; V601-P631 HydrophobicContact CG1-CB 3.57Å; V603-P631 HydrophobicContact CG2-CB 4Å; I629-P631 HydrophobicContact CG2-CB 4.21Å; I629-P631 HydrophobicContact CG2-CG 4.34Å; P631-M676 HydrophobicContact CB-SD 4.13Å; P631-M676 HydrophobicContact CG-SD 4.48Å
632	I	94.1	Very high	89.9	Confident	41 Å²	41	47.4 Å²	47.4	21%	0.21	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.5	173.5	-60.8	173.4	0	0	0	108.5	K586 K587 K589 V601 S602 E634	K586-I632 HydrophobicContact CB-CG1 4.44Å; K587-I632 HydrophobicContact CB-CG1 4.31Å; K587-I632 HydrophobicContact CB-CG2 4.31Å; K587-I632 VanDerWaalsContact O-CA 3.32Å; K587-I632 WeakPolarHBondContact O-CA 3.41Å; K589-I632 HydrophobicContact CD-CG2 4.3Å; K589-I632 HydrophobicContact CG-CG2 4.07Å; V601-I632 CarbonylContact C-O 3.54Å; V601-I632 VanDerWaalsContact CA-O 3.29Å; V601-I632 WeakPolarHBondContact CA-O 3.39Å; S602-I632 PolarHBondContact N-O 3.23Å; S602-I632 PolarHBondContact O-N 2.91Å; I632-E634 HydrophobicContact CG2-CG 4.44Å
633	L	95.6	Very high	90.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.3	176.8	-179.1	65.6	0	0	0	109.8	L581 V585 K587 V588 K589 C599 V601 L635 L668 A675	L581-L633 HydrophobicContact CD1-CD2 3.68Å; V585-L633 HydrophobicContact CG1-CB 4.41Å; K587-L633 PolarHBondContact O-N 3.41Å; V588-L633 WeakPolarHBondContact CA-O 3.33Å; V588-L633 HydrophobicContact CG1-CB 4.34Å; V588-L633 HydrophobicContact CG1-CD2 4.39Å; V588-L633 HydrophobicContact CG1-CG 4.48Å; V588-L633 HydrophobicContact CG2-CB 4.25Å; K589-L633 PolarHBondContact N-O 3.17Å; C599-L633 HydrophobicContact CB-CD1 4.1Å; V601-L633 HydrophobicContact CG2-CD1 4.05Å; L633-L635 HydrophobicContact CD2-CD2 4Å; L633-L635 HydrophobicContact CG-CD2 4.03Å; L633-L668 HydrophobicContact CD2-CD1 4.18Å; L633-A675 HydrophobicContact CD1-CB 4.17Å
634	E	94.6	Very high	91.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.4	177.4	-61.9	-159.4	-159.7	0	0	110.5	K589 T591 R593 C599 F600 S602 I632	K589-E634 HydrophobicContact CD-CG 4.3Å; K589-E634 WeakPolarHBondContact CE-OE1 3.5Å; K589-E634 HydrophobicContact CG-CG 3.94Å; K589-E634 IonicContact NZ-OE1 2.63Å; K589-E634 PolarHBondContact NZ-OE1 2.79Å; K589-E634 IonicContact NZ-OE2 3.14Å; K589-E634 CarbonylContact O-C 3.42Å; K589-E634 WeakPolarHBondContact O-CA 3.16Å; T591-E634 WeakPolarHBondContact CB-OE2 3.47Å; T591-E634 HydrophobicContact CG2-CB 3.84Å; T591-E634 PolarHBondContact OG1-OE2 3.35Å; R593-E634 IonicContact NH1-OE1 3.02Å; C599-E634 CarbonylContact C-O 3.54Å; C599-E634 WeakPolarHBondContact CA-O 3.42Å; C599-E634 WeakPolarHBondContact CB-O 3.43Å; F600-E634 HydrophobicContact CD1-CB 3.86Å; F600-E634 HydrophobicContact CE1-CB 3.57Å; F600-E634 HydrophobicContact CE1-CG 4.06Å; F600-E634 WeakPolarHBondContact CE1-OE2 3.28Å; F600-E634 HydrophobicContact CE2-CG 4.36Å; F600-E634 HydrophobicContact CZ-CB 3.95Å; F600-E634 HydrophobicContact CZ-CG 3.9Å; F600-E634 VanDerWaalsContact CZ-OE2 3.23Å; F600-E634 WeakPolarHBondContact CZ-OE2 3.48Å; F600-E634 PolarHBondContact N-O 3.49Å; F600-E634 VanDerWaalsContact N-O 3.08Å; F600-E634 PolarHBondContact O-N 3.41Å; S602-E634 PolarHBondContact OG-OE1 3.31Å; I632-E634 HydrophobicContact CG2-CG 4.44Å
635	L	95.8	Very high	92.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	136	-178.8	-59.6	178.6	0	0	0	111.5	L573 V588 K589 V590 T591 C599 L633 P637 V642	L573-L635 HydrophobicContact CD2-CD1 3.99Å; L573-L635 HydrophobicContact CG-CD1 4.19Å; V588-L635 HydrophobicContact CG1-CD1 3.97Å; V588-L635 HydrophobicContact CG1-CG 4.17Å; K589-L635 PolarHBondContact O-N 3.24Å; V590-L635 CarbonylContact C-O 3.51Å; V590-L635 VanDerWaalsContact CA-O 3.31Å; V590-L635 WeakPolarHBondContact CA-O 3.38Å; T591-L635 PolarHBondContact N-O 2.97Å; C599-L635 HydrophobicContact CB-CD2 3.8Å; L633-L635 HydrophobicContact CD2-CD2 4Å; L633-L635 HydrophobicContact CG-CD2 4.03Å; L635-P637 VanDerWaalsContact O-CD 3.25Å; L635-P637 WeakPolarHBondContact O-CD 3.41Å; L635-V642 HydrophobicContact CB-CG1 4.3Å
636	N	94.8	Very high	92.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	19%	0.19	C	C	.	.			trans	-86.6	105.4	174.6	179.8	-1.2	0	0	0	110.5	L594 S595 H597 P598 E638 H639 V642	L594-N636 HydrophobicContact CB-CB 3.94Å; L594-N636 HydrophobicContact CD1-CB 4.11Å; S595-N636 PolarHBondContact O-ND2 3.47Å; H597-N636 VanDerWaalsContact O-CB 3.3Å; H597-N636 WeakPolarHBondContact O-CB 3.49Å; H597-N636 PolarHBondContact O-ND2 3.34Å; P598-N636 VanDerWaalsContact O-CB 3.29Å; P598-N636 WeakPolarHBondContact O-CB 3.4Å; P598-N636 PolarHBondContact O-N 2.98Å; N636-E638 PolarHBondContact O-N 3.12Å; N636-E638 VanDerWaalsContact O-N 3.13Å; N636-E638 WeakPolarHBondContact OD1-CB 3.2Å; N636-E638 PolarHBondContact OD1-N 2.86Å; N636-H639 HydrophobicContact CB-CB 4.02Å; N636-H639 PolarHBondContact O-N 2.96Å; N636-H639 VanDerWaalsContact O-N 3.13Å; N636-V642 VanDerWaalsContact O-CB 3.23Å; N636-V642 WeakPolarHBondContact O-CB 3.4Å; N636-V642 WeakPolarHBondContact O-CG1 3.5Å; N636-V642 VanDerWaalsContact O-CG2 3.31Å; N636-V642 WeakPolarHBondContact O-CG2 3.35Å
637	P	94.4	Very high	93.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.4	-176.3	30.3	-35.5	0	0	0	113.7	V557 C564 L565 V590 T591 L635	V557-P637 HydrophobicContact CG1-CB 3.99Å; V557-P637 HydrophobicContact CG1-CG 3.76Å; V557-P637 HydrophobicContact CG2-CB 4.36Å; V557-P637 HydrophobicContact CG2-CG 4.38Å; C564-P637 WeakPolarHBondContact CA-O 3.32Å; L565-P637 HydrophobicContact CB-CB 4.09Å; L565-P637 HydrophobicContact CG-CB 4.49Å; L565-P637 PolarHBondContact N-O 3.32Å; L565-P637 VanDerWaalsContact N-O 3.07Å; V590-P637 HydrophobicContact CB-CG 4.49Å; T591-P637 VanDerWaalsContact O-CD 3.28Å; T591-P637 WeakPolarHBondContact O-CD 3.49Å; L635-P637 VanDerWaalsContact O-CD 3.25Å; L635-P637 WeakPolarHBondContact O-CD 3.41Å
638	E	92.9	Very high	93.7	Very high	54 Å²	54	36.6 Å²	36.6	25%	0.252	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-23.5	175.5	-61.2	-172.6	123.4	0	0	112.9	K510 R561 N563 C564 N636 E640 R643	K510-E638 IonicContact NZ-OE2 2.7Å; R561-E638 VanDerWaalsContact CD-OE1 3.28Å; R561-E638 WeakPolarHBondContact CD-OE1 3.27Å; R561-E638 IonicContact CZ-OE1 3.06Å; R561-E638 IonicContact NE-OE1 2.73Å; R561-E638 PolarHBondContact NE-OE1 3.41Å; R561-E638 IonicContact NH1-OE1 2.86Å; R561-E638 PolarHBondContact NH1-OE1 2.95Å; R561-E638 IonicContact NH1-OE2 3.85Å; R561-E638 PolarHBondContact NH1-OE2 3.01Å; R561-E638 VanDerWaalsContact NH1-OE2 3.14Å; N563-E638 WeakPolarHBondContact O-CA 3.44Å; C564-E638 HydrophobicContact CB-CG 3.95Å; C564-E638 WeakPolarHBondContact SG-CG 3.42Å; N636-E638 PolarHBondContact O-N 3.12Å; N636-E638 VanDerWaalsContact O-N 3.13Å; N636-E638 WeakPolarHBondContact OD1-CB 3.2Å; N636-E638 PolarHBondContact OD1-N 2.86Å; E638-E640 PolarHBondContact O-N 3.16Å; E638-R643 PolarHBondContact O-NE 3.43Å
639	H	95.5	Very high	94.1	Very high	45 Å²	45	33.6 Å²	33.6	21%	0.208	16%	0.157	C	C	.	.	S	Bend	trans	-70.3	135.3	-173	-167.2	-79.9	0	0	0	111.4	T596 P598 N636 L641 V642 R643	T596-H639 PolarHBondContact O-CD2 2.97Å; T596-H639 PolarHBondContact O-NE2 3.17Å; P598-H639 HydrophobicContact CB-CB 4.37Å; N636-H639 HydrophobicContact CB-CB 4.02Å; N636-H639 PolarHBondContact O-N 2.96Å; N636-H639 VanDerWaalsContact O-N 3.13Å; H639-L641 VanDerWaalsContact C-N 3.3Å; H639-L641 VanDerWaalsContact ND1-CB 3.34Å; H639-L641 WeakPolarHBondContact ND1-CB 3.21Å; H639-L641 PolarHBondContact ND1-N 3.43Å; H639-L641 PolarHBondContact O-N 3.36Å; H639-V642 HydrophobicContact CB-CB 4.47Å; H639-V642 HydrophobicContact CB-CG2 4.15Å; H639-V642 PolarHBondContact O-N 3.07Å; H639-R643 PolarHBondContact O-N 2.9Å
640	E	95.3	Very high	94.3	Very high	148 Å²	148	37.5 Å²	37.5	69%	0.692	18%	0.175	S	C	*	.	H	α-helix	trans	-55.9	-43.5	-176.9	-173.7	178.7	172	0	0	112.5	E638 V642 R643 Y644	E638-E640 PolarHBondContact O-N 3.16Å; E640-V642 VanDerWaalsContact C-N 3.3Å; E640-V642 PolarHBondContact O-N 3.25Å; E640-R643 PolarHBondContact O-N 3.39Å; E640-Y644 WeakPolarHBondContact O-CB 3.47Å; E640-Y644 PolarHBondContact O-N 2.88Å
641	L	94.7	Very high	94.2	Very high	59 Å²	59	36.2 Å²	36.2	31%	0.309	18%	0.18	S	C	.	.	H	α-helix	trans	-62.4	-33.2	177.4	-170	56.6	0	0	0	113.7	H639 Y644 L645 V667 L671	H639-L641 VanDerWaalsContact C-N 3.3Å; H639-L641 VanDerWaalsContact ND1-CB 3.34Å; H639-L641 WeakPolarHBondContact ND1-CB 3.21Å; H639-L641 PolarHBondContact ND1-N 3.43Å; H639-L641 PolarHBondContact O-N 3.36Å; L641-Y644 HydrophobicContact CD1-CD1 4.33Å; L641-L645 WeakPolarHBondContact O-CB 3.29Å; L641-L645 PolarHBondContact O-N 3.11Å; L641-V667 HydrophobicContact CD1-CG1 4.09Å; L641-V667 HydrophobicContact CG-CG1 4.44Å; L641-L671 HydrophobicContact CD2-CD2 3.6Å; L641-L671 HydrophobicContact CD2-CG 4.38Å; L641-L671 HydrophobicContact CG-CD2 4.26Å
642	V	96.2	Very high	94	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-75.3	-39.4	177.6	177.2	0	0	0	0	110.4	L565 L573 P598 L635 N636 H639 E640 L645 Y646	L565-V642 HydrophobicContact CD1-CG1 4.14Å; L573-V642 HydrophobicContact CD2-CG1 3.77Å; P598-V642 HydrophobicContact CB-CG2 4.13Å; P598-V642 VanDerWaalsContact O-CG2 3.27Å; P598-V642 WeakPolarHBondContact O-CG2 3.49Å; L635-V642 HydrophobicContact CB-CG1 4.3Å; N636-V642 VanDerWaalsContact O-CB 3.23Å; N636-V642 WeakPolarHBondContact O-CB 3.4Å; N636-V642 WeakPolarHBondContact O-CG1 3.5Å; N636-V642 VanDerWaalsContact O-CG2 3.31Å; N636-V642 WeakPolarHBondContact O-CG2 3.35Å; H639-V642 HydrophobicContact CB-CB 4.47Å; H639-V642 HydrophobicContact CB-CG2 4.15Å; H639-V642 PolarHBondContact O-N 3.07Å; E640-V642 VanDerWaalsContact C-N 3.3Å; E640-V642 PolarHBondContact O-N 3.25Å; V642-L645 WeakPolarHBondContact O-CB 3.27Å; V642-L645 PolarHBondContact O-N 2.94Å; V642-Y646 PolarHBondContact O-N 3.46Å
643	R	95	Very high	93.3	Very high	71 Å²	71	39.8 Å²	39.8	27%	0.268	20%	0.195	S	C	.	.	H	α-helix	trans	-64.1	-40.3	171.6	-68.1	-173.2	-72.4	131.9	0.9	112	N563 L565 E638 H639 E640 Y646 N647	N563-R643 WeakPolarHBondContact O-CD 3.37Å; N563-R643 PolarHBondContact O-NE 3.18Å; N563-R643 VanDerWaalsContact O-NE 3.15Å; L565-R643 HydrophobicContact CD2-CB 4.39Å; L565-R643 HydrophobicContact CD2-CG 3.94Å; L565-R643 HydrophobicContact CG-CG 4.01Å; E638-R643 PolarHBondContact O-NE 3.43Å; H639-R643 PolarHBondContact O-N 2.9Å; E640-R643 PolarHBondContact O-N 3.39Å; R643-Y646 PolarHBondContact O-N 2.75Å; R643-N647 VanDerWaalsContact O-CG 3.29Å; R643-N647 PolarHBondContact O-N 3.19Å; R643-N647 PolarHBondContact O-ND2 3.01Å
644	Y	94.9	Very high	92.3	Very high	66 Å²	66	47.8 Å²	47.8	26%	0.259	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-46.5	173.6	179.5	-110.5	0	0	0	111.2	E640 L641 Y646 N647 L648 R702	E640-Y644 WeakPolarHBondContact O-CB 3.47Å; E640-Y644 PolarHBondContact O-N 2.88Å; L641-Y644 HydrophobicContact CD1-CD1 4.33Å; Y644-Y646 VanDerWaalsContact C-N 3.34Å; Y644-Y646 PolarHBondContact O-N 3.36Å; Y644-N647 WeakPolarHBondContact O-CB 3.47Å; Y644-N647 PolarHBondContact O-N 2.76Å; Y644-N647 VanDerWaalsContact O-N 3.14Å; Y644-L648 HydrophobicContact CD1-CD1 4.15Å; Y644-L648 HydrophobicContact CD1-CG 4.45Å; Y644-L648 HydrophobicContact CE1-CD1 3.66Å; Y644-L648 HydrophobicContact CE1-CD2 4.32Å; Y644-L648 HydrophobicContact CE1-CG 4.12Å; Y644-L648 HydrophobicContact CE2-CD2 4.17Å; Y644-L648 WeakPolarHBondContact O-CG 3.45Å; Y644-L648 PolarHBondContact O-N 3.1Å; Y644-R702 PolarHBondContact OH-NH1 3.08Å
645	L	96.2	Very high	91.7	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-46.8	175.3	178.5	61.9	0	0	0	111.6	L573 W576 L641 V642 N647 L648 V649 A664 V667 L668 L671	L573-L645 HydrophobicContact CD1-CD2 4.01Å; L573-L645 HydrophobicContact CD1-CG 3.89Å; W576-L645 HydrophobicContact CH2-CD1 3.99Å; W576-L645 HydrophobicContact CZ3-CD1 3.89Å; W576-L645 HydrophobicContact CZ3-CD2 4.33Å; W576-L645 HydrophobicContact CZ3-CG 4.27Å; L641-L645 WeakPolarHBondContact O-CB 3.29Å; L641-L645 PolarHBondContact O-N 3.11Å; V642-L645 WeakPolarHBondContact O-CB 3.27Å; V642-L645 PolarHBondContact O-N 2.94Å; L645-N647 VanDerWaalsContact C-N 3.33Å; L645-N647 PolarHBondContact O-N 3.21Å; L645-L648 WeakPolarHBondContact O-CB 3.46Å; L645-L648 PolarHBondContact O-N 3.13Å; L645-V649 HydrophobicContact CD1-CG2 4.45Å; L645-V649 WeakPolarHBondContact O-CG2 3.34Å; L645-V649 PolarHBondContact O-N 2.95Å; L645-A664 HydrophobicContact CD1-CB 4.02Å; L645-A664 WeakPolarHBondContact CD1-O 3.38Å; L645-V667 HydrophobicContact CB-CG1 4.28Å; L645-V667 HydrophobicContact CD1-CB 4.09Å; L645-V667 HydrophobicContact CD1-CG1 4.01Å; L645-L668 HydrophobicContact CD1-CB 4.45Å; L645-L668 HydrophobicContact CD2-CB 4.32Å; L645-L668 HydrophobicContact CD2-CD1 4.13Å; L645-L671 HydrophobicContact CD2-CD1 4.03Å
646	Y	95.8	Very high	90.9	Very high	15 Å²	15	56 Å²	56	6%	0.059	28%	0.282	C	S	.	.	H	α-helix	trans	-57	-45.1	174.8	172.6	-106.9	0	0	0	112.2	L565 E569 E572 L573 V642 R643 Y644 L648 V649 H650	L565-Y646 HydrophobicContact CD1-CG 4.39Å; L565-Y646 HydrophobicContact CD2-CD1 3.59Å; L565-Y646 HydrophobicContact CD2-CE1 4.39Å; L565-Y646 HydrophobicContact CD2-CG 3.78Å; E569-Y646 HydrophobicContact CB-CD1 4.32Å; E569-Y646 HydrophobicContact CB-CD2 4.25Å; E569-Y646 HydrophobicContact CB-CE1 3.8Å; E569-Y646 HydrophobicContact CB-CE2 3.74Å; E569-Y646 HydrophobicContact CG-CE1 3.81Å; E569-Y646 HydrophobicContact CG-CE2 4.33Å; E569-Y646 WeakPolarHBondContact CG-OH 3.33Å; E569-Y646 WeakPolarHBondContact O-CD2 3.46Å; E569-Y646 WeakPolarHBondContact O-CE2 3.2Å; E572-Y646 HydrophobicContact CB-CE2 4.45Å; L573-Y646 HydrophobicContact CB-CD2 4.23Å; V642-Y646 PolarHBondContact O-N 3.46Å; R643-Y646 PolarHBondContact O-N 2.75Å; Y644-Y646 VanDerWaalsContact C-N 3.34Å; Y644-Y646 PolarHBondContact O-N 3.36Å; Y646-L648 VanDerWaalsContact C-N 3.29Å; Y646-L648 PolarHBondContact O-N 2.89Å; Y646-V649 PolarHBondContact O-N 3.39Å; Y646-V649 VanDerWaalsContact O-N 3.14Å; Y646-H650 HydrophobicContact CE1-CB 4.38Å; Y646-H650 HydrophobicContact CE2-CB 4.4Å; Y646-H650 AromaticContact CZ-ND1 3.78Å; Y646-H650 WeakPolarHBondContact O-CB 3.36Å; Y646-H650 PolarHBondContact O-N 2.9Å; Y646-H650 PolarHBondContact OH-ND1 2.99Å; Y646-H650 VanDerWaalsContact OH-ND1 3.11Å
647	N	94	Very high	90	Very high	95 Å²	95	64.9 Å²	64.9	51%	0.508	32%	0.324	S	S	.	.	H	α-helix	trans	-60.9	-37.1	178.6	-67.9	-23.9	0	0	0	112.6	R643 Y644 L645 A651	R643-N647 VanDerWaalsContact O-CG 3.29Å; R643-N647 PolarHBondContact O-N 3.19Å; R643-N647 PolarHBondContact O-ND2 3.01Å; Y644-N647 WeakPolarHBondContact O-CB 3.47Å; Y644-N647 PolarHBondContact O-N 2.76Å; Y644-N647 VanDerWaalsContact O-N 3.14Å; L645-N647 VanDerWaalsContact C-N 3.33Å; L645-N647 PolarHBondContact O-N 3.21Å; N647-A651 VanDerWaalsContact O-CB 3.24Å; N647-A651 WeakPolarHBondContact O-CB 3.43Å; N647-A651 PolarHBondContact O-N 2.76Å
648	L	93.1	Very high	89.6	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-64.9	-43.8	174.4	-61.3	-177.7	0	0	0	112	Y644 L645 Y646 S652 L663 A664 V667	Y644-L648 HydrophobicContact CD1-CD1 4.15Å; Y644-L648 HydrophobicContact CD1-CG 4.45Å; Y644-L648 HydrophobicContact CE1-CD1 3.66Å; Y644-L648 HydrophobicContact CE1-CD2 4.32Å; Y644-L648 HydrophobicContact CE1-CG 4.12Å; Y644-L648 HydrophobicContact CE2-CD2 4.17Å; Y644-L648 WeakPolarHBondContact O-CG 3.45Å; Y644-L648 PolarHBondContact O-N 3.1Å; L645-L648 WeakPolarHBondContact O-CB 3.46Å; L645-L648 PolarHBondContact O-N 3.13Å; Y646-L648 VanDerWaalsContact C-N 3.29Å; Y646-L648 PolarHBondContact O-N 2.89Å; L648-S652 WeakPolarHBondContact O-CB 3.45Å; L648-S652 PolarHBondContact O-N 3.45Å; L648-S652 VanDerWaalsContact O-N 3.15Å; L648-S652 PolarHBondContact O-OG 3.42Å; L648-L663 HydrophobicContact CD1-CB 4.39Å; L648-L663 HydrophobicContact CD1-CD2 4.06Å; L648-L663 HydrophobicContact CD1-CG 3.87Å; L648-L663 HydrophobicContact CD2-CD2 4.34Å; L648-A664 HydrophobicContact CB-CB 3.78Å; L648-A664 HydrophobicContact CD1-CB 4.21Å; L648-V667 HydrophobicContact CD1-CG2 4.36Å
649	V	93	Very high	89.3	Confident	8 Å²	8	72.2 Å²	72.2	5%	0.048	36%	0.358	C	S	.	.	H	α-helix	trans	-64.4	-46.1	178.2	175.9	0	0	0	0	110.2	L573 W576 L645 Y646 A651 S652 K653 A664	L573-V649 HydrophobicContact CD1-CG2 4.2Å; W576-V649 HydrophobicContact CB-CG1 4.02Å; W576-V649 HydrophobicContact CD2-CB 4.4Å; W576-V649 HydrophobicContact CD2-CG1 3.92Å; W576-V649 HydrophobicContact CD2-CG2 3.49Å; W576-V649 VanDerWaalsContact CD2-CG2 3.49Å; W576-V649 HydrophobicContact CE3-CG1 4.49Å; W576-V649 HydrophobicContact CE3-CG2 3.46Å; W576-V649 VanDerWaalsContact CE3-CG2 3.46Å; W576-V649 HydrophobicContact CG-CG1 3.66Å; W576-V649 HydrophobicContact CG-CG2 4.16Å; W576-V649 HydrophobicContact CH2-CG2 3.81Å; W576-V649 HydrophobicContact CZ2-CG2 3.83Å; W576-V649 HydrophobicContact CZ3-CG2 3.6Å; L645-V649 HydrophobicContact CD1-CG2 4.45Å; L645-V649 WeakPolarHBondContact O-CG2 3.34Å; L645-V649 PolarHBondContact O-N 2.95Å; Y646-V649 PolarHBondContact O-N 3.39Å; Y646-V649 VanDerWaalsContact O-N 3.14Å; V649-A651 PolarHBondContact O-N 3.39Å; V649-S652 WeakPolarHBondContact CA-OG 3.27Å; V649-S652 PolarHBondContact O-N 3.06Å; V649-S652 VanDerWaalsContact O-N 3.15Å; V649-S652 PolarHBondContact O-OG 3.17Å; V649-S652 VanDerWaalsContact O-OG 3.08Å; V649-K653 PolarHBondContact O-N 3.28Å; V649-A664 HydrophobicContact CG2-CB 4.13Å
650	H	91.1	Very high	89	Confident	89 Å²	89	72.1 Å²	72.1	41%	0.412	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-41.3	179.5	-167.1	88.1	0	0	0	112.4	E572 Y646 S652 K653	E572-H650 IonicContact OE1-ND1 2.8Å; Y646-H650 HydrophobicContact CE1-CB 4.38Å; Y646-H650 HydrophobicContact CE2-CB 4.4Å; Y646-H650 AromaticContact CZ-ND1 3.78Å; Y646-H650 WeakPolarHBondContact O-CB 3.36Å; Y646-H650 PolarHBondContact O-N 2.9Å; Y646-H650 PolarHBondContact OH-ND1 2.99Å; Y646-H650 VanDerWaalsContact OH-ND1 3.11Å; H650-S652 PolarHBondContact O-N 2.97Å; H650-K653 PolarHBondContact CE1-NZ 3.14Å; H650-K653 WeakPolarHBondContact ND1-CE 3.29Å; H650-K653 PolarHBondContact ND1-NZ 3.29Å; H650-K653 WeakPolarHBondContact O-CG 3.46Å
651	A	89.3	Confident	88.8	Confident	65 Å²	65	66.6 Å²	66.6	54%	0.537	33%	0.332	S	S	.	.	H	α-helix	trans	-68.9	-21.1	176.6	0	0	0	0	0	113.6	N647 V649	N647-A651 VanDerWaalsContact O-CB 3.24Å; N647-A651 WeakPolarHBondContact O-CB 3.43Å; N647-A651 PolarHBondContact O-N 2.76Å; V649-A651 PolarHBondContact O-N 3.39Å
652	S	87.3	Confident	88.7	Confident	6 Å²	6	66.2 Å²	66.2	4%	0.042	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	7.2	-176.9	56.2	0	0	0	0	114.8	L648 V649 H650 D654 S655 S658	L648-S652 WeakPolarHBondContact O-CB 3.45Å; L648-S652 PolarHBondContact O-N 3.45Å; L648-S652 VanDerWaalsContact O-N 3.15Å; L648-S652 PolarHBondContact O-OG 3.42Å; V649-S652 WeakPolarHBondContact CA-OG 3.27Å; V649-S652 PolarHBondContact O-N 3.06Å; V649-S652 VanDerWaalsContact O-N 3.15Å; V649-S652 PolarHBondContact O-OG 3.17Å; V649-S652 VanDerWaalsContact O-OG 3.08Å; H650-S652 PolarHBondContact O-N 2.97Å; S652-D654 PolarHBondContact O-N 2.83Å; S652-D654 VanDerWaalsContact O-N 3.11Å; S652-S655 CarbonylContact O-C 3.55Å; S652-S655 PolarHBondContact O-N 2.86Å; S652-S655 VanDerWaalsContact O-N 3.07Å; S652-S658 WeakPolarHBondContact CB-OG 3.39Å
653	K	79.8	Confident	88.6	Confident	110 Å²	110	66.5 Å²	66.5	48%	0.478	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-37.7	179.9	-79.4	-177.2	176.9	-173.7	0	114.4	E572 V649 H650	E572-K653 WeakPolarHBondContact OE1-CE 3.5Å; E572-K653 IonicContact OE1-NZ 2.9Å; E572-K653 PolarHBondContact OE1-NZ 3.14Å; E572-K653 WeakPolarHBondContact OE2-CE 3.31Å; E572-K653 IonicContact OE2-NZ 3.86Å; E572-K653 PolarHBondContact OE2-NZ 2.93Å; V649-K653 PolarHBondContact O-N 3.28Å; H650-K653 PolarHBondContact CE1-NZ 3.14Å; H650-K653 WeakPolarHBondContact ND1-CE 3.29Å; H650-K653 PolarHBondContact ND1-NZ 3.29Å; H650-K653 WeakPolarHBondContact O-CG 3.46Å
654	D	75.5	Confident	88.6	Confident	168 Å²	168	63.1 Å²	63.1	90%	0.898	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-11.2	-174.3	-61.4	-35	0	0	0	113.6	S652	S652-D654 PolarHBondContact O-N 2.83Å; S652-D654 VanDerWaalsContact O-N 3.11Å
655	S	81.2	Confident	88.6	Confident	53 Å²	53	62.3 Å²	62.3	37%	0.371	32%	0.323	S	S	.	.			trans	-155.5	106.4	-178.3	-176.8	0	0	0	0	113.1	S652 Q657 S658	S652-S655 CarbonylContact O-C 3.55Å; S652-S655 PolarHBondContact O-N 2.86Å; S652-S655 VanDerWaalsContact O-N 3.07Å; S655-Q657 PolarHBondContact O-N 3.06Å; S655-Q657 VanDerWaalsContact O-N 3.08Å; S655-Q657 PolarHBondContact OG-N 3.22Å; S655-S658 VanDerWaalsContact O-CB 3.3Å; S655-S658 WeakPolarHBondContact O-CB 3.36Å; S655-S658 PolarHBondContact O-N 3.26Å; S655-S658 PolarHBondContact O-OG 3.09Å
656	E	78.3	Confident	88.5	Confident	120 Å²	120	62.9 Å²	62.9	56%	0.561	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.9	168	-65.9	-171	165	0	0	112.4	K579 Y661	K579-E656 IonicContact NZ-OE1 2.7Å; K579-E656 PolarHBondContact NZ-OE1 3.38Å; E656-Y661 HydrophobicContact CB-CD1 4.16Å; E656-Y661 HydrophobicContact CB-CE1 3.95Å; E656-Y661 HydrophobicContact CB-CE2 4.5Å; E656-Y661 HydrophobicContact CG-CE1 4.24Å; E656-Y661 HydrophobicContact CG-CE2 4.11Å; E656-Y661 WeakPolarHBondContact O-CD1 3.34Å
657	Q	77.1	Confident	88.5	Confident	187 Å²	187	62.4 Å²	62.4	87%	0.874	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	2.1	175.7	-64.7	175.2	4.8	0	0	113.1	S655	S655-Q657 PolarHBondContact O-N 3.06Å; S655-Q657 VanDerWaalsContact O-N 3.08Å; S655-Q657 PolarHBondContact OG-N 3.22Å
658	S	85.1	Confident	88.6	Confident	29 Å²	29	57.9 Å²	57.9	20%	0.203	30%	0.302	C	S	.	.	S	Bend	trans	-67.8	149.2	177.9	64	0	0	0	0	111.9	S652 S655 D660 Y661 S662	S652-S658 WeakPolarHBondContact CB-OG 3.39Å; S655-S658 VanDerWaalsContact O-CB 3.3Å; S655-S658 WeakPolarHBondContact O-CB 3.36Å; S655-S658 PolarHBondContact O-N 3.26Å; S655-S658 PolarHBondContact O-OG 3.09Å; S658-D660 PolarHBondContact O-N 2.75Å; S658-Y661 WeakPolarHBondContact O-CB 3.35Å; S658-Y661 PolarHBondContact O-N 2.93Å; S658-Y661 VanDerWaalsContact O-N 3.15Å; S658-Y661 WeakPolarHBondContact OG-CB 3.44Å; S658-Y661 PolarHBondContact OG-N 3.16Å; S658-Y661 VanDerWaalsContact OG-N 3.13Å; S658-S662 PolarHBondContact O-N 2.89Å
659	K	87.5	Confident	88.6	Confident	179 Å²	179	59 Å²	59	78%	0.778	31%	0.307	S	S	*	.	H	α-helix	trans	-58.3	-34.5	171.7	-68.2	-173.2	177.2	-171.6	0	111.5	S662 L663	K659-S662 PolarHBondContact O-N 3.36Å; K659-L663 WeakPolarHBondContact O-CB 3.4Å; K659-L663 PolarHBondContact O-N 3.08Å
660	D	88.6	Confident	88.7	Confident	43 Å²	43	60.8 Å²	60.8	23%	0.23	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-41	175.8	-73.3	-41.9	0	0	0	112.3	S658 L663 A664 R702	S658-D660 PolarHBondContact O-N 2.75Å; D660-L663 PolarHBondContact O-N 2.86Å; D660-A664 WeakPolarHBondContact O-CB 3.43Å; D660-A664 PolarHBondContact O-N 2.66Å; D660-R702 IonicContact OD1-CZ 3.27Å; D660-R702 IonicContact OD1-NH1 2.72Å; D660-R702 PolarHBondContact OD1-NH1 3.38Å; D660-R702 IonicContact OD1-NH2 3.97Å; D660-R702 PolarHBondContact OD1-NH2 2.93Å
661	Y	91.8	Very high	89	Confident	32 Å²	32	56.7 Å²	56.7	13%	0.125	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-46.5	176.2	-168.5	-103.3	0	0	0	112	W576 E656 S658 L663 A664 I665	W576-Y661 AromaticContact NE1-CE2 3.34Å; W576-Y661 VanDerWaalsContact NE1-CE2 3.34Å; E656-Y661 HydrophobicContact CB-CD1 4.16Å; E656-Y661 HydrophobicContact CB-CE1 3.95Å; E656-Y661 HydrophobicContact CB-CE2 4.5Å; E656-Y661 HydrophobicContact CG-CE1 4.24Å; E656-Y661 HydrophobicContact CG-CE2 4.11Å; E656-Y661 WeakPolarHBondContact O-CD1 3.34Å; S658-Y661 WeakPolarHBondContact O-CB 3.35Å; S658-Y661 PolarHBondContact O-N 2.93Å; S658-Y661 VanDerWaalsContact O-N 3.15Å; S658-Y661 WeakPolarHBondContact OG-CB 3.44Å; S658-Y661 PolarHBondContact OG-N 3.16Å; S658-Y661 VanDerWaalsContact OG-N 3.13Å; Y661-L663 VanDerWaalsContact C-N 3.31Å; Y661-L663 PolarHBondContact O-N 2.83Å; Y661-A664 WeakPolarHBondContact O-CB 3.25Å; Y661-A664 PolarHBondContact O-N 2.62Å; Y661-I665 HydrophobicContact CD1-CD1 3.68Å; Y661-I665 HydrophobicContact CD1-CG1 4.45Å; Y661-I665 HydrophobicContact CE1-CD1 3.37Å; Y661-I665 HydrophobicContact CE1-CG1 4.29Å; Y661-I665 WeakPolarHBondContact O-CG1 3.43Å; Y661-I665 PolarHBondContact O-N 2.89Å
662	S	92.1	Very high	89.2	Confident	52 Å²	52	53.6 Å²	53.6	36%	0.364	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-40.8	177	-177.8	0	0	0	0	112.1	S658 K659 S666 K698	S658-S662 PolarHBondContact O-N 2.89Å; K659-S662 PolarHBondContact O-N 3.36Å; S662-S666 PolarHBondContact O-N 3.49Å; S662-S666 VanDerWaalsContact O-N 3.15Å; S662-S666 PolarHBondContact O-OG 3.4Å; S662-K698 PolarHBondContact OG-NZ 2.9Å
663	L	93.6	Very high	89.6	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-40.9	175.3	179.4	61.7	0	0	0	112	L648 K659 D660 Y661 I665 S666 V667 L695 K698 L699 R702	L648-L663 HydrophobicContact CD1-CB 4.39Å; L648-L663 HydrophobicContact CD1-CD2 4.06Å; L648-L663 HydrophobicContact CD1-CG 3.87Å; L648-L663 HydrophobicContact CD2-CD2 4.34Å; K659-L663 WeakPolarHBondContact O-CB 3.4Å; K659-L663 PolarHBondContact O-N 3.08Å; D660-L663 PolarHBondContact O-N 2.86Å; Y661-L663 VanDerWaalsContact C-N 3.31Å; Y661-L663 PolarHBondContact O-N 2.83Å; L663-I665 VanDerWaalsContact C-N 3.3Å; L663-I665 PolarHBondContact O-N 3.12Å; L663-S666 PolarHBondContact O-N 3.12Å; L663-S666 VanDerWaalsContact O-N 3.13Å; L663-V667 HydrophobicContact CD1-CG2 4.24Å; L663-V667 HydrophobicContact CG-CG2 4.4Å; L663-V667 WeakPolarHBondContact O-CG2 3.27Å; L663-V667 PolarHBondContact O-N 3.29Å; L663-L695 HydrophobicContact CD1-CD1 3.71Å; L663-K698 HydrophobicContact CD1-CB 3.9Å; L663-L699 HydrophobicContact CD1-CD2 3.89Å; L663-L699 HydrophobicContact CD1-CG 4.05Å; L663-L699 HydrophobicContact CD2-CD2 4.11Å; L663-R702 VanDerWaalsContact CD2-NH1 3.28Å
664	A	94.5	Very high	90.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.2	-45	175.6	0	0	0	0	0	110.9	W576 L645 L648 V649 D660 Y661 S666 V667 L668	W576-A664 HydrophobicContact CH2-CB 3.71Å; W576-A664 HydrophobicContact CZ2-CB 3.74Å; L645-A664 HydrophobicContact CD1-CB 4.02Å; L645-A664 WeakPolarHBondContact CD1-O 3.38Å; L648-A664 HydrophobicContact CB-CB 3.78Å; L648-A664 HydrophobicContact CD1-CB 4.21Å; V649-A664 HydrophobicContact CG2-CB 4.13Å; D660-A664 WeakPolarHBondContact O-CB 3.43Å; D660-A664 PolarHBondContact O-N 2.66Å; Y661-A664 WeakPolarHBondContact O-CB 3.25Å; Y661-A664 PolarHBondContact O-N 2.62Å; A664-S666 PolarHBondContact O-N 2.92Å; A664-V667 PolarHBondContact O-N 3.01Å; A664-L668 WeakPolarHBondContact O-CB 3.39Å; A664-L668 PolarHBondContact O-N 3.44Å
665	I	94.9	Very high	91.2	Very high	49 Å²	49	42.1 Å²	42.1	25%	0.251	22%	0.216	S	C	.	.	H	α-helix	trans	-60	-44.8	175.3	-69.8	173.9	0	0	0	111.3	W576 V580 Y661 L663 L668 N669	W576-I665 HydrophobicContact CZ2-CG1 4.12Å; V580-I665 HydrophobicContact CG1-CG1 4.11Å; V580-I665 HydrophobicContact CG1-CG2 4.34Å; V580-I665 HydrophobicContact CG2-CG1 4.43Å; Y661-I665 HydrophobicContact CD1-CD1 3.68Å; Y661-I665 HydrophobicContact CD1-CG1 4.45Å; Y661-I665 HydrophobicContact CE1-CD1 3.37Å; Y661-I665 HydrophobicContact CE1-CG1 4.29Å; Y661-I665 WeakPolarHBondContact O-CG1 3.43Å; Y661-I665 PolarHBondContact O-N 2.89Å; L663-I665 VanDerWaalsContact C-N 3.3Å; L663-I665 PolarHBondContact O-N 3.12Å; I665-L668 PolarHBondContact O-N 2.84Å; I665-N669 VanDerWaalsContact CG2-ND2 3.28Å; I665-N669 WeakPolarHBondContact CG2-ND2 3.45Å; I665-N669 WeakPolarHBondContact O-CB 3.49Å; I665-N669 PolarHBondContact O-N 2.92Å; I665-N669 PolarHBondContact O-ND2 3.29Å
666	S	94.3	Very high	91.7	Very high	12 Å²	12	39.8 Å²	39.8	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-41.3	177.7	-71.2	0	0	0	0	112	S662 L663 A664 H670 D694 K698	S662-S666 PolarHBondContact O-N 3.49Å; S662-S666 VanDerWaalsContact O-N 3.15Å; S662-S666 PolarHBondContact O-OG 3.4Å; L663-S666 PolarHBondContact O-N 3.12Å; L663-S666 VanDerWaalsContact O-N 3.13Å; A664-S666 PolarHBondContact O-N 2.92Å; S666-H670 WeakPolarHBondContact O-CB 3.3Å; S666-H670 PolarHBondContact O-N 2.87Å; S666-D694 PolarHBondContact OG-OD2 3.08Å; S666-D694 VanDerWaalsContact OG-OD2 3.05Å; S666-K698 PolarHBondContact OG-NZ 3.42Å
667	V	95.5	Very high	92.3	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-63.8	-47.7	176.2	173	0	0	0	0	110.8	L641 L645 L648 L663 A664 H670 L671 L695	L641-V667 HydrophobicContact CD1-CG1 4.09Å; L641-V667 HydrophobicContact CG-CG1 4.44Å; L645-V667 HydrophobicContact CB-CG1 4.28Å; L645-V667 HydrophobicContact CD1-CB 4.09Å; L645-V667 HydrophobicContact CD1-CG1 4.01Å; L648-V667 HydrophobicContact CD1-CG2 4.36Å; L663-V667 HydrophobicContact CD1-CG2 4.24Å; L663-V667 HydrophobicContact CG-CG2 4.4Å; L663-V667 WeakPolarHBondContact O-CG2 3.27Å; L663-V667 PolarHBondContact O-N 3.29Å; A664-V667 PolarHBondContact O-N 3.01Å; V667-H670 PolarHBondContact O-N 3.08Å; V667-L671 HydrophobicContact CG1-CD1 4.2Å; V667-L671 HydrophobicContact CG1-CG 4.47Å; V667-L671 WeakPolarHBondContact O-CG 3.34Å; V667-L671 PolarHBondContact O-N 2.88Å; V667-L695 HydrophobicContact CG2-CD1 3.65Å
668	L	96.3	Very high	93	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.3	-45.2	178.8	179.5	66.3	0	0	0	112	W576 A577 V580 L581 L633 L645 A664 I665 H670 L671 Y672	W576-L668 HydrophobicContact CE3-CD2 4.2Å; W576-L668 HydrophobicContact CH2-CB 3.98Å; W576-L668 HydrophobicContact CH2-CD2 3.93Å; W576-L668 HydrophobicContact CZ3-CB 3.98Å; W576-L668 HydrophobicContact CZ3-CD2 3.56Å; W576-L668 HydrophobicContact CZ3-CG 4.22Å; A577-L668 HydrophobicContact CB-CD1 3.99Å; A577-L668 HydrophobicContact CB-CD2 3.86Å; V580-L668 HydrophobicContact CB-CD2 3.88Å; V580-L668 HydrophobicContact CG1-CD2 3.85Å; L581-L668 HydrophobicContact CD1-CD1 4.32Å; L581-L668 HydrophobicContact CD1-CD2 4.3Å; L581-L668 HydrophobicContact CD1-CG 4.38Å; L581-L668 HydrophobicContact CD2-CD2 4.34Å; L581-L668 HydrophobicContact CD2-CG 4.33Å; L581-L668 HydrophobicContact CG-CD2 3.94Å; L581-L668 HydrophobicContact CG-CG 4.3Å; L633-L668 HydrophobicContact CD2-CD1 4.18Å; L645-L668 HydrophobicContact CD1-CB 4.45Å; L645-L668 HydrophobicContact CD2-CB 4.32Å; L645-L668 HydrophobicContact CD2-CD1 4.13Å; A664-L668 WeakPolarHBondContact O-CB 3.39Å; A664-L668 PolarHBondContact O-N 3.44Å; I665-L668 PolarHBondContact O-N 2.84Å; L668-H670 VanDerWaalsContact C-N 3.3Å; L668-H670 PolarHBondContact O-N 3.34Å; L668-L671 PolarHBondContact O-N 2.86Å; L668-Y672 WeakPolarHBondContact O-CB 3.36Å; L668-Y672 PolarHBondContact O-N 3.3Å
669	N	94.4	Very high	93.2	Very high	25 Å²	25	29.9 Å²	29.9	13%	0.134	16%	0.157	C	C	.	.	H	α-helix	trans	-63	-38.3	177.4	-79.6	-68.5	0	0	0	111.5	K584 I665 Y672 D673	K584-N669 PolarHBondContact NZ-OD1 3.12Å; K584-N669 VanDerWaalsContact NZ-OD1 3.12Å; I665-N669 VanDerWaalsContact CG2-ND2 3.28Å; I665-N669 WeakPolarHBondContact CG2-ND2 3.45Å; I665-N669 WeakPolarHBondContact O-CB 3.49Å; I665-N669 PolarHBondContact O-N 2.92Å; I665-N669 PolarHBondContact O-ND2 3.29Å; N669-Y672 PolarHBondContact O-N 2.83Å; N669-D673 WeakPolarHBondContact O-CB 3.38Å; N669-D673 VanDerWaalsContact O-CG 3.3Å; N669-D673 PolarHBondContact O-N 3.07Å
670	H	95	Very high	93.3	Very high	47 Å²	47	23.5 Å²	23.5	22%	0.218	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-43.8	175.8	-176.6	78.6	0	0	0	112.2	S666 V667 L668 Y672 D673 T674 T692 L695	S666-H670 WeakPolarHBondContact O-CB 3.3Å; S666-H670 PolarHBondContact O-N 2.87Å; V667-H670 PolarHBondContact O-N 3.08Å; L668-H670 VanDerWaalsContact C-N 3.3Å; L668-H670 PolarHBondContact O-N 3.34Å; H670-Y672 VanDerWaalsContact C-N 3.34Å; H670-Y672 PolarHBondContact O-N 2.92Å; H670-D673 PolarHBondContact O-N 3.04Å; H670-T674 WeakPolarHBondContact O-CB 3.3Å; H670-T674 VanDerWaalsContact O-CG2 3.27Å; H670-T674 WeakPolarHBondContact O-CG2 3.3Å; H670-T674 PolarHBondContact O-N 2.87Å; H670-T674 PolarHBondContact O-OG1 2.78Å; H670-T692 PolarHBondContact CE1-OG1 3.17Å; H670-T692 PolarHBondContact ND1-OG1 3.15Å; H670-L695 HydrophobicContact CB-CD2 3.63Å
671	L	96.1	Very high	93.3	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-58.2	-45.3	172.7	-74.9	178.3	0	0	0	111.6	P598 C599 L641 L645 V667 L668 T674 A675	P598-L671 HydrophobicContact CB-CD2 3.72Å; P598-L671 HydrophobicContact CG-CD2 3.67Å; C599-L671 PolarHBondContact SG-O 3.45Å; L641-L671 HydrophobicContact CD2-CD2 3.6Å; L641-L671 HydrophobicContact CD2-CG 4.38Å; L641-L671 HydrophobicContact CG-CD2 4.26Å; L645-L671 HydrophobicContact CD2-CD1 4.03Å; V667-L671 HydrophobicContact CG1-CD1 4.2Å; V667-L671 HydrophobicContact CG1-CG 4.47Å; V667-L671 WeakPolarHBondContact O-CG 3.34Å; V667-L671 PolarHBondContact O-N 2.88Å; L668-L671 PolarHBondContact O-N 2.86Å; L671-T674 WeakPolarHBondContact CA-OG1 3.26Å; L671-T674 PolarHBondContact O-OG1 2.86Å; L671-A675 VanDerWaalsContact O-CB 3.27Å; L671-A675 WeakPolarHBondContact O-CB 3.43Å; L671-A675 PolarHBondContact O-N 2.76Å
672	Y	95.3	Very high	93	Very high	1 Å²	1	21.9 Å²	21.9	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-49.2	177.3	176.1	-103.2	0	0	0	112.2	L581 K584 V585 V601 L668 N669 H670 T674 A675 M676	L581-Y672 HydrophobicContact CD1-CD2 4.31Å; L581-Y672 HydrophobicContact CD2-CD1 4.38Å; L581-Y672 HydrophobicContact CD2-CD2 4.45Å; L581-Y672 HydrophobicContact CD2-CG 4.03Å; K584-Y672 HydrophobicContact CB-CE1 4.26Å; K584-Y672 HydrophobicContact CD-CE1 4.16Å; K584-Y672 PolarHBondContact O-OH 3.27Å; K584-Y672 VanDerWaalsContact O-OH 3.06Å; V585-Y672 HydrophobicContact CG1-CD2 3.94Å; V585-Y672 HydrophobicContact CG1-CE2 3.44Å; V585-Y672 VanDerWaalsContact CG1-CE2 3.44Å; V601-Y672 HydrophobicContact CG2-CE2 4.47Å; L668-Y672 WeakPolarHBondContact O-CB 3.36Å; L668-Y672 PolarHBondContact O-N 3.3Å; N669-Y672 PolarHBondContact O-N 2.83Å; H670-Y672 VanDerWaalsContact C-N 3.34Å; H670-Y672 PolarHBondContact O-N 2.92Å; Y672-T674 PolarHBondContact O-N 3.27Å; Y672-A675 PolarHBondContact O-N 2.79Å; Y672-M676 HydrophobicContact CD1-CG 4.29Å; Y672-M676 HydrophobicContact CD2-CG 4.27Å; Y672-M676 HydrophobicContact CE1-CG 3.83Å; Y672-M676 HydrophobicContact CE2-CG 3.77Å; Y672-M676 HydrophobicContact CE2-SD 4.12Å; Y672-M676 WeakPolarHBondContact O-CB 3.37Å; Y672-M676 WeakPolarHBondContact O-CG 3.24Å; Y672-M676 PolarHBondContact O-N 2.74Å
673	D	94.1	Very high	92.5	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.027	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-40	-178.5	-74.3	-23.8	0	0	0	112	N669 H670 M676 A677 L688 R691	N669-D673 WeakPolarHBondContact O-CB 3.38Å; N669-D673 VanDerWaalsContact O-CG 3.3Å; N669-D673 PolarHBondContact O-N 3.07Å; H670-D673 PolarHBondContact O-N 3.04Å; D673-M676 PolarHBondContact O-N 2.86Å; D673-A677 WeakPolarHBondContact O-CB 3.08Å; D673-A677 PolarHBondContact O-N 2.8Å; D673-L688 HydrophobicContact CB-CD1 3.72Å; D673-R691 IonicContact OD1-NH2 2.99Å; D673-R691 IonicContact OD2-CZ 2.77Å; D673-R691 IonicContact OD2-NE 2.65Å; D673-R691 PolarHBondContact OD2-NE 3.13Å; D673-R691 IonicContact OD2-NH2 2.7Å; D673-R691 PolarHBondContact OD2-NH2 3.07Å
674	T	94	Very high	92	Very high	38 Å²	38	26.9 Å²	26.9	23%	0.233	16%	0.158	C	C	.	.	H	α-helix	trans	-67	-39.8	176.3	51.5	0	0	0	0	111.7	H670 L671 Y672 A677 Q678	H670-T674 WeakPolarHBondContact O-CB 3.3Å; H670-T674 VanDerWaalsContact O-CG2 3.27Å; H670-T674 WeakPolarHBondContact O-CG2 3.3Å; H670-T674 PolarHBondContact O-N 2.87Å; H670-T674 PolarHBondContact O-OG1 2.78Å; L671-T674 WeakPolarHBondContact CA-OG1 3.26Å; L671-T674 PolarHBondContact O-OG1 2.86Å; Y672-T674 PolarHBondContact O-N 3.27Å; T674-A677 WeakPolarHBondContact O-CB 3.43Å; T674-A677 PolarHBondContact O-N 2.97Å; T674-Q678 WeakPolarHBondContact O-CG 2.97Å; T674-Q678 PolarHBondContact O-N 2.71Å
675	A	94.8	Very high	91.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-40.6	173.6	0	0	0	0	0	112.5	V601 L633 L671 Y672 A677 Q678 A679	V601-A675 HydrophobicContact CB-CB 4.44Å; V601-A675 HydrophobicContact CG2-CB 3.75Å; L633-A675 HydrophobicContact CD1-CB 4.17Å; L671-A675 VanDerWaalsContact O-CB 3.27Å; L671-A675 WeakPolarHBondContact O-CB 3.43Å; L671-A675 PolarHBondContact O-N 2.76Å; Y672-A675 PolarHBondContact O-N 2.79Å; A675-A677 VanDerWaalsContact C-N 3.33Å; A675-A677 PolarHBondContact O-N 2.77Å; A675-Q678 PolarHBondContact O-N 2.86Å; A675-A679 WeakPolarHBondContact O-CB 3.19Å; A675-A679 PolarHBondContact O-N 3.16Å
676	M	93.1	Very high	91.3	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.02	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-36.9	172.6	-74	-65.1	-73.3	0	0	112.1	V601 Y626 P631 Y672 D673 A679 G680 L681 L682	V601-M676 HydrophobicContact CB-SD 4.37Å; V601-M676 HydrophobicContact CG1-SD 3.95Å; V601-M676 HydrophobicContact CG2-CG 4.33Å; V601-M676 HydrophobicContact CG2-SD 4.04Å; Y626-M676 HydrophobicContact CE1-CE 4.41Å; P631-M676 HydrophobicContact CB-SD 4.13Å; P631-M676 HydrophobicContact CG-SD 4.48Å; Y672-M676 HydrophobicContact CD1-CG 4.29Å; Y672-M676 HydrophobicContact CD2-CG 4.27Å; Y672-M676 HydrophobicContact CE1-CG 3.83Å; Y672-M676 HydrophobicContact CE2-CG 3.77Å; Y672-M676 HydrophobicContact CE2-SD 4.12Å; Y672-M676 WeakPolarHBondContact O-CB 3.37Å; Y672-M676 WeakPolarHBondContact O-CG 3.24Å; Y672-M676 PolarHBondContact O-N 2.74Å; D673-M676 PolarHBondContact O-N 2.86Å; M676-A679 PolarHBondContact O-N 2.8Å; M676-G680 PolarHBondContact O-N 2.92Å; M676-L681 HydrophobicContact CE-CB 3.66Å; M676-L681 PolarHBondContact O-N 2.87Å; M676-L681 HydrophobicContact SD-CB 4.39Å; M676-L682 HydrophobicContact CB-CB 4.27Å; M676-L682 PolarHBondContact O-N 3.02Å; M676-L682 VanDerWaalsContact O-N 3.16Å
677	A	91.4	Very high	91	Very high	43 Å²	43	40.1 Å²	40.1	36%	0.355	21%	0.214	S	C	.	.	H	α-helix	trans	-65.8	-45.5	174.8	0	0	0	0	0	111.5	D673 T674 A675 A679 G680 L682	D673-A677 WeakPolarHBondContact O-CB 3.08Å; D673-A677 PolarHBondContact O-N 2.8Å; T674-A677 WeakPolarHBondContact O-CB 3.43Å; T674-A677 PolarHBondContact O-N 2.97Å; A675-A677 VanDerWaalsContact C-N 3.33Å; A675-A677 PolarHBondContact O-N 2.77Å; A677-A679 VanDerWaalsContact C-N 3.25Å; A677-A679 PolarHBondContact O-N 2.81Å; A677-G680 PolarHBondContact O-N 2.84Å; A677-L682 HydrophobicContact CB-CB 4.04Å; A677-L682 HydrophobicContact CB-CD2 3.83Å
678	Q	90.9	Very high	90.8	Very high	81 Å²	81	41.3 Å²	41.3	38%	0.379	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-33.7	174.2	-73.3	174.5	-21.3	0	0	112.2	P503 T674 A675 G680	P503-Q678 HydrophobicContact CG-CB 4.41Å; T674-Q678 WeakPolarHBondContact O-CG 2.97Å; T674-Q678 PolarHBondContact O-N 2.71Å; A675-Q678 PolarHBondContact O-N 2.86Å; Q678-G680 PolarHBondContact O-N 3.15Å
679	A	90.1	Very high	90.6	Very high	3 Å²	3	44 Å²	44	3%	0.025	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-12	172.2	0	0	0	0	0	113.7	Y504 R610 A675 M676 A677 L681	Y504-A679 VanDerWaalsContact OH-CA 3.22Å; Y504-A679 WeakPolarHBondContact OH-CA 3.38Å; Y504-A679 WeakPolarHBondContact OH-CB 3.12Å; R610-A679 PolarHBondContact NE-O 3.49Å; R610-A679 PolarHBondContact NH2-O 2.78Å; A675-A679 WeakPolarHBondContact O-CB 3.19Å; A675-A679 PolarHBondContact O-N 3.16Å; M676-A679 PolarHBondContact O-N 2.8Å; A677-A679 VanDerWaalsContact C-N 3.25Å; A677-A679 PolarHBondContact O-N 2.81Å; A679-L681 VanDerWaalsContact C-N 3.25Å; A679-L681 HydrophobicContact CB-CB 4.27Å; A679-L681 HydrophobicContact CB-CD1 3.87Å; A679-L681 HydrophobicContact CB-CG 3.92Å; A679-L681 PolarHBondContact O-N 2.77Å
680	G	88.1	Confident	90.6	Very high	45 Å²	45	46.7 Å²	46.7	46%	0.464	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	22.3	-171.9	0	0	0	0	0	113.4	M676 A677 Q678	M676-G680 PolarHBondContact O-N 2.92Å; A677-G680 PolarHBondContact O-N 2.84Å; Q678-G680 PolarHBondContact O-N 3.15Å
681	L	88.5	Confident	90.4	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.042	27%	0.268	C	S	.	.			trans	-113.8	0.7	-175.3	-59	174.9	0	0	0	112.9	V603 M609 R610 L613 I629 M676 A679	V603-L681 HydrophobicContact CB-CD1 4.29Å; V603-L681 HydrophobicContact CG2-CD1 3.72Å; M609-L681 HydrophobicContact CB-CD2 4.15Å; R610-L681 HydrophobicContact CG-CD2 3.72Å; L613-L681 HydrophobicContact CD1-CB 4.11Å; L613-L681 HydrophobicContact CD1-CD2 3.45Å; L613-L681 VanDerWaalsContact CD1-CD2 3.45Å; L613-L681 HydrophobicContact CD1-CG 4.38Å; I629-L681 HydrophobicContact CG2-CD1 3.93Å; M676-L681 HydrophobicContact CE-CB 3.66Å; M676-L681 PolarHBondContact O-N 2.87Å; M676-L681 HydrophobicContact SD-CB 4.39Å; A679-L681 VanDerWaalsContact C-N 3.25Å; A679-L681 HydrophobicContact CB-CB 4.27Å; A679-L681 HydrophobicContact CB-CD1 3.87Å; A679-L681 HydrophobicContact CB-CG 3.92Å; A679-L681 PolarHBondContact O-N 2.77Å
682	L	87.2	Confident	90.4	Very high	34 Å²	34	50.2 Å²	50.2	18%	0.178	28%	0.279	C	S	.	.			trans	-77	124.4	173.9	-176	69.5	0	0	0	110.8	M676 A677 I685 L688	M676-L682 HydrophobicContact CB-CB 4.27Å; M676-L682 PolarHBondContact O-N 3.02Å; M676-L682 VanDerWaalsContact O-N 3.16Å; A677-L682 HydrophobicContact CB-CB 4.04Å; A677-L682 HydrophobicContact CB-CD2 3.83Å; L682-I685 HydrophobicContact CD2-CG1 4.14Å; L682-I685 HydrophobicContact CG-CG1 4.46Å; L682-L688 HydrophobicContact CD2-CB 4.14Å; L682-L688 HydrophobicContact CD2-CD2 3.7Å
683	D	81.1	Confident	90.3	Very high	90 Å²	90	53.9 Å²	53.9	48%	0.481	30%	0.302	S	S	.	.			trans	-95.9	-47.3	177.5	177.8	47	0	0	0	112.3	R625 I685	R625-D683 IonicContact CZ-OD2 2.8Å; R625-D683 IonicContact NH1-OD2 3.78Å; R625-D683 PolarHBondContact NH1-OD2 3.49Å; R625-D683 IonicContact NH2-OD2 2.79Å; R625-D683 PolarHBondContact NH2-OD2 2.94Å; D683-I685 PolarHBondContact O-N 3.49Å; D683-I685 VanDerWaalsContact O-N 3.17Å
684	D	82.8	Confident	90.3	Very high	72 Å²	72	56.5 Å²	56.5	39%	0.385	32%	0.316	S	S	.	.			trans	-92.6	74	-177	-176	24.2	0	0	0	112.7	R686 G687 L688	D684-R686 PolarHBondContact O-N 2.88Å; D684-R686 PolarHBondContact OD1-N 2.6Å; D684-G687 VanDerWaalsContact CG-N 3.3Å; D684-G687 PolarHBondContact O-N 2.85Å; D684-G687 PolarHBondContact OD1-N 2.96Å; D684-G687 VanDerWaalsContact OD2-CA 3.24Å; D684-G687 WeakPolarHBondContact OD2-CA 3.46Å; D684-G687 PolarHBondContact OD2-N 2.73Å; D684-L688 PolarHBondContact O-N 3.06Å
685	I	85.7	Confident	90.3	Very high	118 Å²	118	55.3 Å²	55.3	61%	0.605	31%	0.308	S	S	*	.	H	α-helix	trans	-61.9	-32.4	174.6	-60	172.7	0	0	0	111.2	L682 D683 L688 A689	L682-I685 HydrophobicContact CD2-CG1 4.14Å; L682-I685 HydrophobicContact CG-CG1 4.46Å; D683-I685 PolarHBondContact O-N 3.49Å; D683-I685 VanDerWaalsContact O-N 3.17Å; I685-L688 WeakPolarHBondContact O-CB 3.5Å; I685-L688 PolarHBondContact O-N 2.81Å; I685-A689 PolarHBondContact O-N 3.38Å
686	R	88.8	Confident	90.3	Very high	211 Å²	211	59.1 Å²	59.1	80%	0.796	33%	0.331	S	S	*	.	H	α-helix	trans	-68.9	-41.1	179.7	-71	-178.2	-69.4	-175.9	-2.8	111.4	D684 L688 A689 S690	D684-R686 PolarHBondContact O-N 2.88Å; D684-R686 PolarHBondContact OD1-N 2.6Å; R686-L688 VanDerWaalsContact C-N 3.35Å; R686-A689 WeakPolarHBondContact O-CB 3.4Å; R686-A689 PolarHBondContact O-N 3Å; R686-S690 PolarHBondContact O-N 3.38Å
687	G	88.6	Confident	90.3	Very high	11 Å²	11	64.3 Å²	64.3	11%	0.113	36%	0.355	C	S	.	.	H	α-helix	trans	-66.5	-33.9	174.3	0	0	0	0	0	113.5	D684 A689 S690 R691	D684-G687 VanDerWaalsContact CG-N 3.3Å; D684-G687 PolarHBondContact O-N 2.85Å; D684-G687 PolarHBondContact OD1-N 2.96Å; D684-G687 VanDerWaalsContact OD2-CA 3.24Å; D684-G687 WeakPolarHBondContact OD2-CA 3.46Å; D684-G687 PolarHBondContact OD2-N 2.73Å; G687-A689 VanDerWaalsContact C-N 3.28Å; G687-A689 PolarHBondContact O-N 2.92Å; G687-S690 PolarHBondContact O-N 3.36Å; G687-R691 VanDerWaalsContact C-CZ 3.43Å; G687-R691 VanDerWaalsContact C-NH1 3.34Å; G687-R691 WeakPolarHBondContact O-CG 3.21Å; G687-R691 PolarHBondContact O-N 2.93Å; G687-R691 PolarHBondContact O-NH1 3.24Å
688	L	91.6	Very high	90.4	Very high	29 Å²	29	64.6 Å²	64.6	15%	0.152	35%	0.348	C	S	.	.	H	α-helix	trans	-57.4	-43	171.6	165.3	63.1	0	0	0	110.7	D673 L682 D684 I685 R686 S690 R691 T692	D673-L688 HydrophobicContact CB-CD1 3.72Å; L682-L688 HydrophobicContact CD2-CB 4.14Å; L682-L688 HydrophobicContact CD2-CD2 3.7Å; D684-L688 PolarHBondContact O-N 3.06Å; I685-L688 WeakPolarHBondContact O-CB 3.5Å; I685-L688 PolarHBondContact O-N 2.81Å; R686-L688 VanDerWaalsContact C-N 3.35Å; L688-S690 PolarHBondContact O-N 2.9Å; L688-R691 PolarHBondContact O-N 3.47Å; L688-T692 WeakPolarHBondContact CD1-OG1 3.37Å; L688-T692 VanDerWaalsContact O-CB 3.32Å; L688-T692 WeakPolarHBondContact O-CB 3.45Å; L688-T692 PolarHBondContact O-N 3.1Å; L688-T692 PolarHBondContact O-OG1 3.09Å
689	A	92	Very high	90.4	Very high	56 Å²	56	63.8 Å²	63.8	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-60.2	-47.7	178	0	0	0	0	0	111.8	I685 R686 G687 R691 T692 T693	I685-A689 PolarHBondContact O-N 3.38Å; R686-A689 WeakPolarHBondContact O-CB 3.4Å; R686-A689 PolarHBondContact O-N 3Å; G687-A689 VanDerWaalsContact C-N 3.28Å; G687-A689 PolarHBondContact O-N 2.92Å; A689-R691 PolarHBondContact O-N 3.33Å; A689-T692 PolarHBondContact O-N 3.01Å; A689-T693 PolarHBondContact O-N 3.43Å; A689-T693 PolarHBondContact O-OG1 3.42Å
690	S	93	Very high	90.5	Very high	83 Å²	83	66.8 Å²	66.8	58%	0.58	36%	0.364	S	S	*	.	H	α-helix	trans	-62.1	-43.3	177.5	-61.1	0	0	0	0	113.1	R686 G687 L688 T692 T693 D694	R686-S690 PolarHBondContact O-N 3.38Å; G687-S690 PolarHBondContact O-N 3.36Å; L688-S690 PolarHBondContact O-N 2.9Å; S690-T692 VanDerWaalsContact C-N 3.3Å; S690-T692 PolarHBondContact O-N 3.47Å; S690-T693 PolarHBondContact O-N 3.28Å; S690-D694 PolarHBondContact O-N 2.97Å; S690-D694 VanDerWaalsContact O-N 3.07Å
691	R	92.2	Very high	90.5	Very high	82 Å²	82	70.4 Å²	70.4	31%	0.309	37%	0.369	S	S	.	.	H	α-helix	trans	-67.1	-32.6	177.2	-71.4	-174.2	-66.3	-83.4	4.6	112.4	D673 G687 L688 A689 L695	D673-R691 IonicContact OD1-NH2 2.99Å; D673-R691 IonicContact OD2-CZ 2.77Å; D673-R691 IonicContact OD2-NE 2.65Å; D673-R691 PolarHBondContact OD2-NE 3.13Å; D673-R691 IonicContact OD2-NH2 2.7Å; D673-R691 PolarHBondContact OD2-NH2 3.07Å; G687-R691 VanDerWaalsContact C-CZ 3.43Å; G687-R691 VanDerWaalsContact C-NH1 3.34Å; G687-R691 WeakPolarHBondContact O-CG 3.21Å; G687-R691 PolarHBondContact O-N 2.93Å; G687-R691 PolarHBondContact O-NH1 3.24Å; L688-R691 PolarHBondContact O-N 3.47Å; A689-R691 PolarHBondContact O-N 3.33Å; R691-L695 WeakPolarHBondContact O-CB 3.49Å; R691-L695 PolarHBondContact O-N 3.08Å
692	T	94.3	Very high	90.3	Very high	41 Å²	41	75.5 Å²	75.5	25%	0.252	39%	0.388	S	S	.	.	H	α-helix	trans	-68	-41.2	174.4	-56.7	0	0	0	0	110.9	H670 L688 A689 S690 L695 V696	H670-T692 PolarHBondContact CE1-OG1 3.17Å; H670-T692 PolarHBondContact ND1-OG1 3.15Å; L688-T692 WeakPolarHBondContact CD1-OG1 3.37Å; L688-T692 VanDerWaalsContact O-CB 3.32Å; L688-T692 WeakPolarHBondContact O-CB 3.45Å; L688-T692 PolarHBondContact O-N 3.1Å; L688-T692 PolarHBondContact O-OG1 3.09Å; A689-T692 PolarHBondContact O-N 3.01Å; S690-T692 VanDerWaalsContact C-N 3.3Å; S690-T692 PolarHBondContact O-N 3.47Å; T692-L695 PolarHBondContact O-N 2.75Å; T692-V696 WeakPolarHBondContact O-CG2 3.32Å; T692-V696 PolarHBondContact O-N 2.89Å
693	T	94.3	Very high	90.1	Very high	78 Å²	78	79.7 Å²	79.7	48%	0.479	42%	0.415	S	S	.	.	H	α-helix	trans	-60	-47.3	173.3	-55.2	0	0	0	0	111.7	A689 S690 L695 V696 E697	A689-T693 PolarHBondContact O-N 3.43Å; A689-T693 PolarHBondContact O-OG1 3.42Å; S690-T693 PolarHBondContact O-N 3.28Å; T693-L695 VanDerWaalsContact C-N 3.33Å; T693-L695 PolarHBondContact O-N 2.87Å; T693-V696 PolarHBondContact O-N 3.08Å; T693-V696 VanDerWaalsContact O-N 3.17Å; T693-E697 HydrophobicContact CG2-CG 4.48Å; T693-E697 WeakPolarHBondContact O-CG 3.48Å; T693-E697 PolarHBondContact O-N 2.92Å
694	D	93.1	Very high	89.8	Confident	60 Å²	60	85.5 Å²	85.5	32%	0.321	44%	0.436	S	S	.	.	H	α-helix	trans	-58.3	-42.4	175.7	171.7	73.2	0	0	0	112.3	S666 S690 E697 K698	S666-D694 PolarHBondContact OG-OD2 3.08Å; S666-D694 VanDerWaalsContact OG-OD2 3.05Å; S690-D694 PolarHBondContact O-N 2.97Å; S690-D694 VanDerWaalsContact O-N 3.07Å; D694-E697 PolarHBondContact O-N 2.66Å; D694-K698 WeakPolarHBondContact O-CG 3.43Å; D694-K698 PolarHBondContact O-N 3.34Å; D694-K698 VanDerWaalsContact OD1-CE 3.28Å; D694-K698 WeakPolarHBondContact OD1-CE 3.3Å; D694-K698 IonicContact OD1-NZ 2.87Å; D694-K698 PolarHBondContact OD1-NZ 3Å; D694-K698 WeakPolarHBondContact OD2-CE 3.41Å; D694-K698 IonicContact OD2-NZ 2.66Å; D694-K698 PolarHBondContact OD2-NZ 3.48Å
695	L	94.5	Very high	90.1	Very high	13 Å²	13	86.2 Å²	86.2	7%	0.068	44%	0.438	C	S	.	.	H	α-helix	trans	-60.6	-46.7	174.7	172.8	60.9	0	0	0	111.7	L663 V667 H670 R691 T692 T693 K698 L699	L663-L695 HydrophobicContact CD1-CD1 3.71Å; V667-L695 HydrophobicContact CG2-CD1 3.65Å; H670-L695 HydrophobicContact CB-CD2 3.63Å; R691-L695 WeakPolarHBondContact O-CB 3.49Å; R691-L695 PolarHBondContact O-N 3.08Å; T692-L695 PolarHBondContact O-N 2.75Å; T693-L695 VanDerWaalsContact C-N 3.33Å; T693-L695 PolarHBondContact O-N 2.87Å; L695-K698 PolarHBondContact O-N 2.83Å; L695-L699 HydrophobicContact CD1-CD1 4.05Å; L695-L699 HydrophobicContact CD1-CG 4.16Å; L695-L699 HydrophobicContact CG-CD1 4.06Å; L695-L699 VanDerWaalsContact O-CG 3.31Å; L695-L699 WeakPolarHBondContact O-CG 3.43Å; L695-L699 PolarHBondContact O-N 3.17Å
696	V	94.6	Very high	90.4	Very high	79 Å²	79	84.5 Å²	84.5	48%	0.479	43%	0.43	S	S	.	.	H	α-helix	trans	-64.4	-42	179.6	173.2	0	0	0	0	110.9	T692 T693 L699 V700	T692-V696 WeakPolarHBondContact O-CG2 3.32Å; T692-V696 PolarHBondContact O-N 2.89Å; T693-V696 PolarHBondContact O-N 3.08Å; T693-V696 VanDerWaalsContact O-N 3.17Å; V696-L699 PolarHBondContact O-N 3.48Å; V696-V700 HydrophobicContact CG1-CG2 4.38Å; V696-V700 VanDerWaalsContact O-CG2 3.29Å; V696-V700 WeakPolarHBondContact O-CG2 3.32Å; V696-V700 PolarHBondContact O-N 3.06Å
697	E	94.1	Very high	90.5	Very high	114 Å²	114	77.5 Å²	77.5	53%	0.533	41%	0.409	S	S	.	.	H	α-helix	trans	-59.2	-47.9	175.5	-74.4	176.8	177.5	0	0	111.4	T693 D694 L699 V700 E701	T693-E697 HydrophobicContact CG2-CG 4.48Å; T693-E697 WeakPolarHBondContact O-CG 3.48Å; T693-E697 PolarHBondContact O-N 2.92Å; D694-E697 PolarHBondContact O-N 2.66Å; E697-L699 VanDerWaalsContact C-N 3.33Å; E697-L699 PolarHBondContact O-N 3.09Å; E697-V700 PolarHBondContact O-N 2.78Å; E697-E701 WeakPolarHBondContact O-CG 3.36Å; E697-E701 PolarHBondContact O-N 2.77Å
698	K	92.3	Very high	90.6	Very high	48 Å²	48	81.4 Å²	81.4	21%	0.209	43%	0.427	C	S	.	.	H	α-helix	trans	-61.8	-37.6	176.4	-72.6	168.8	174	166.3	0	113.1	S662 L663 S666 D694 L695 R702	S662-K698 PolarHBondContact OG-NZ 2.9Å; L663-K698 HydrophobicContact CD1-CB 3.9Å; S666-K698 PolarHBondContact OG-NZ 3.42Å; D694-K698 WeakPolarHBondContact O-CG 3.43Å; D694-K698 PolarHBondContact O-N 3.34Å; D694-K698 VanDerWaalsContact OD1-CE 3.28Å; D694-K698 WeakPolarHBondContact OD1-CE 3.3Å; D694-K698 IonicContact OD1-NZ 2.87Å; D694-K698 PolarHBondContact OD1-NZ 3Å; D694-K698 WeakPolarHBondContact OD2-CE 3.41Å; D694-K698 IonicContact OD2-NZ 2.66Å; D694-K698 PolarHBondContact OD2-NZ 3.48Å; L695-K698 PolarHBondContact O-N 2.83Å; K698-R702 PolarHBondContact O-N 2.94Å; K698-R702 VanDerWaalsContact O-N 3.15Å
699	L	91.3	Very high	90.5	Very high	64 Å²	64	84.7 Å²	84.7	34%	0.335	44%	0.444	S	S	.	.	H	α-helix	trans	-66.9	-42.8	175.2	-73.4	170.8	0	0	0	111.5	L663 L695 V696 E697 E701 R702 T703	L663-L699 HydrophobicContact CD1-CD2 3.89Å; L663-L699 HydrophobicContact CD1-CG 4.05Å; L663-L699 HydrophobicContact CD2-CD2 4.11Å; L695-L699 HydrophobicContact CD1-CD1 4.05Å; L695-L699 HydrophobicContact CD1-CG 4.16Å; L695-L699 HydrophobicContact CG-CD1 4.06Å; L695-L699 VanDerWaalsContact O-CG 3.31Å; L695-L699 WeakPolarHBondContact O-CG 3.43Å; L695-L699 PolarHBondContact O-N 3.17Å; V696-L699 PolarHBondContact O-N 3.48Å; E697-L699 VanDerWaalsContact C-N 3.33Å; E697-L699 PolarHBondContact O-N 3.09Å; L699-E701 VanDerWaalsContact C-N 3.34Å; L699-E701 PolarHBondContact O-N 2.9Å; L699-R702 PolarHBondContact O-N 2.93Å; L699-T703 PolarHBondContact O-N 3.35Å
700	V	92.2	Very high	90.4	Very high	67 Å²	67	86.6 Å²	86.6	41%	0.406	44%	0.443	S	S	.	.	H	α-helix	trans	-62.8	-42	175.8	170.7	0	0	0	0	110.9	V696 E697 R702 T703 K704	V696-V700 HydrophobicContact CG1-CG2 4.38Å; V696-V700 VanDerWaalsContact O-CG2 3.29Å; V696-V700 WeakPolarHBondContact O-CG2 3.32Å; V696-V700 PolarHBondContact O-N 3.06Å; E697-V700 PolarHBondContact O-N 2.78Å; V700-R702 VanDerWaalsContact C-N 3.28Å; V700-R702 PolarHBondContact O-N 3.13Å; V700-T703 PolarHBondContact O-N 3.13Å; V700-T703 PolarHBondContact O-OG1 2.9Å; V700-K704 PolarHBondContact O-N 3.24Å
701	E	88.5	Confident	90.2	Very high	121 Å²	121	86.9 Å²	86.9	57%	0.565	43%	0.433	S	S	*	.	H	α-helix	trans	-63.1	-31	176.1	-75.1	-175.5	176	0	0	113.6	E697 L699	E697-E701 WeakPolarHBondContact O-CG 3.36Å; E697-E701 PolarHBondContact O-N 2.77Å; L699-E701 VanDerWaalsContact C-N 3.34Å; L699-E701 PolarHBondContact O-N 2.9Å
702	R	83.6	Confident	90.1	Very high	114 Å²	114	87.2 Å²	87.2	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-73.2	-30.1	176	-171.1	-170.1	-175.3	112.8	13	112.7	Y644 D660 L663 K698 L699 V700 K704	Y644-R702 PolarHBondContact OH-NH1 3.08Å; D660-R702 IonicContact OD1-CZ 3.27Å; D660-R702 IonicContact OD1-NH1 2.72Å; D660-R702 PolarHBondContact OD1-NH1 3.38Å; D660-R702 IonicContact OD1-NH2 3.97Å; D660-R702 PolarHBondContact OD1-NH2 2.93Å; L663-R702 VanDerWaalsContact CD2-NH1 3.28Å; K698-R702 PolarHBondContact O-N 2.94Å; K698-R702 VanDerWaalsContact O-N 3.15Å; L699-R702 PolarHBondContact O-N 2.93Å; V700-R702 VanDerWaalsContact C-N 3.28Å; V700-R702 PolarHBondContact O-N 3.13Å; R702-K704 VanDerWaalsContact C-N 3.32Å
703	T	82.9	Confident	89.7	Confident	122 Å²	122	91.1 Å²	91.1	75%	0.748	46%	0.458	S	S	*	.	H	α-helix	trans	-78.5	-17.8	178.1	57.2	0	0	0	0	113.7	L699 V700	L699-T703 PolarHBondContact O-N 3.35Å; V700-T703 PolarHBondContact O-N 3.13Å; V700-T703 PolarHBondContact O-OG1 2.9Å
704	K	75.4	Confident	89.3	Confident	213 Å²	213	92.3 Å²	92.3	93%	0.926	46%	0.456	S	S	*	.			trans	-85.8	0	172.4	-69.3	177	-179.1	174.3	0	110.2	V700 R702	V700-K704 PolarHBondContact O-N 3.24Å; R702-K704 VanDerWaalsContact C-N 3.32Å

Retrieved 704 of 704 residues in 206.9 ms (Link to these results)

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