A0A077YXF7_TRITR Loading...

DUF7107 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YXF7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 579 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	38.8	Very low	231 Å²	231	134.6 Å²	134.6	100%	1.138	77%	0.774	S	S	*	*				0	93	0	-80.3	175.3	140.3	0	0	106.3
2	L	36	Very low	38.6	Very low	171 Å²	171	130.5 Å²	130.5	90%	0.895	78%	0.782	S	S	*	*				60.9	125	104	-78.2	163.7	0	0	0	111.4
3	A	38.9	Very low	38.5	Very low	70 Å²	70	125.5 Å²	125.5	58%	0.579	77%	0.774	S	S	*	*			cis	167.9	157.7	-11.1	0	0	0	0	0	104.2
4	K	40	Very low	38.4	Very low	183 Å²	183	127.1 Å²	127.1	80%	0.796	77%	0.774	S	S	*	*			trans	74.2	146.2	152.2	-69.5	176.6	170.7	-166.9	0	117.2
5	D	41.3	Very low	38.4	Very low	115 Å²	115	131.7 Å²	131.7	62%	0.615	77%	0.774	S	S	*	*			cis	-171.2	145.5	1.7	-108.2	-17.8	0	0	0	109.1
6	T	39.9	Very low	38.2	Very low	113 Å²	113	129.1 Å²	129.1	69%	0.693	77%	0.772	S	S	*	*			trans	44.1	120.7	136	63.8	0	0	0	0	121.9
7	S	37.4	Very low	38.3	Very low	101 Å²	101	129.6 Å²	129.6	71%	0.706	77%	0.769	S	S	*	*				79.5	143.3	100.7	98.2	0	0	0	0	113.8
8	T	39.4	Very low	38.3	Very low	122 Å²	122	130.2 Å²	130.2	75%	0.748	77%	0.767	S	S	*	*			cis	-178.8	122.7	48.2	-10.2	0	0	0	0	106.3
9	A	37.9	Very low	38.3	Very low	87 Å²	87	130.6 Å²	130.6	72%	0.719	77%	0.765	S	S	*	*				42	129.7	112.8	0	0	0	0	0	119.1
10	L	38.6	Very low	38.1	Very low	159 Å²	159	131.4 Å²	131.4	83%	0.832	77%	0.765	S	S	*	*			trans	164.8	101.5	141.7	-88.2	156.1	0	0	0	109.8
11	T	38.5	Very low	38.1	Very low	129 Å²	129	130.6 Å²	130.6	79%	0.791	76%	0.762	S	S	*	*				80.5	128.5	95.9	53.4	0	0	0	0	117.9
12	G	36.7	Very low	37.9	Very low	85 Å²	85	129.8 Å²	129.8	88%	0.876	75%	0.748	S	S	*	*			trans	108.8	131	156.2	0	0	0	0	0	114.2
13	G	36.9	Very low	37.8	Very low	65 Å²	65	127.4 Å²	127.4	67%	0.67	74%	0.74	S	S	*	*			cis	166.3	155.9	2.6	0	0	0	0	0	109.7
14	L	37.5	Very low	37.7	Very low	148 Å²	148	131.7 Å²	131.7	78%	0.775	75%	0.748	S	S	*	*			trans	67.6	113.5	152.9	-68.4	126.4	0	0	0	120.8
15	Y	38.7	Very low	37.6	Very low	197 Å²	197	131 Å²	131	77%	0.773	75%	0.753	S	S	*	*				174.2	118.5	94.1	-103.1	-80.6	0	0	0	111.1	L17	Y15-L17 HydrophobicContact CD1-CD1 4.33Å; Y15-L17 HydrophobicContact CE1-CD1 4.48Å
16	A	35.4	Very low	37.4	Very low	90 Å²	90	132.8 Å²	132.8	74%	0.744	76%	0.762	S	S	*	*			trans	-92.7	143.5	158.8	0	0	0	0	0	108.3
17	L	39.2	Very low	37.1	Very low	138 Å²	138	132.4 Å²	132.4	72%	0.723	76%	0.763	S	S	*	*			trans	-171.1	127.1	158.9	-102.5	160.9	0	0	0	112.2	Y15	Y15-L17 HydrophobicContact CD1-CD1 4.33Å; Y15-L17 HydrophobicContact CE1-CD1 4.48Å
18	L	38.5	Very low	37	Very low	139 Å²	139	134.3 Å²	134.3	73%	0.728	76%	0.764	S	S	*	*			trans	82.7	112.1	147.1	-53.4	165.9	0	0	0	119
19	L	37.3	Very low	36.8	Very low	139 Å²	139	136.1 Å²	136.1	73%	0.728	77%	0.768	S	S	*	*				93.4	108.7	53.7	-91.2	150.7	0	0	0	114.4
20	N	34.5	Very low	36.5	Very low	145 Å²	145	136.6 Å²	136.6	78%	0.775	77%	0.767	S	S	*	*				77.2	142.1	128.6	-99	-18.1	0	0	0	123.1
21	V	39.2	Very low	36.3	Very low	115 Å²	115	135.5 Å²	135.5	70%	0.697	77%	0.766	S	S	*	*			trans	91.1	98.3	153.7	-151.6	0	0	0	0	119.1
22	Y	33.5	Very low	35.9	Very low	214 Å²	214	138.1 Å²	138.1	84%	0.839	77%	0.767	S	S	*	*				-170.7	113.3	101.3	-125.6	-90.2	0	0	0	111.7
23	V	35.4	Very low	35.9	Very low	122 Å²	122	139.5 Å²	139.5	74%	0.739	76%	0.758	S	S	*	*			trans	-93.8	147.4	168.8	176.4	0	0	0	0	107.4
24	Q	36.8	Very low	35.5	Very low	159 Å²	159	147.1 Å²	147.1	74%	0.743	77%	0.767	S	S	*	*			trans	126.2	95.4	156.1	-71.3	169.9	-31.4	0	0	113.9
25	N	38.2	Very low	35.4	Very low	169 Å²	169	147.8 Å²	147.8	90%	0.904	77%	0.77	S	S	*	*				-167.4	107.7	109.1	-93	-33.8	0	0	0	111
26	L	35.9	Very low	35.2	Very low	152 Å²	152	144.3 Å²	144.3	80%	0.796	77%	0.77	S	S	*	*			trans	-72.4	144.3	166.7	-85.4	99.7	0	0	0	110.8
27	C	33.7	Very low	35.1	Very low	105 Å²	105	145.8 Å²	145.8	71%	0.709	77%	0.772	S	S	*	*				178.4	108.9	115.9	-98.8	0	0	0	0	108.3
28	L	35.7	Very low	35	Very low	141 Å²	141	145.4 Å²	145.4	74%	0.738	78%	0.775	S	S	*	*				67.9	115.7	102.8	-68.9	174.3	0	0	0	111.6
29	L	35.3	Very low	34.8	Very low	160 Å²	160	145.3 Å²	145.3	84%	0.838	78%	0.78	S	S	*	*			cis	-157.1	138.6	40.9	-93	132.6	0	0	0	111.7
30	S	31.1	Very low	34.6	Very low	98 Å²	98	146.4 Å²	146.4	69%	0.685	78%	0.782	S	S	*	*			trans	-77.4	138.4	164.8	51.9	0	0	0	0	112.1
31	V	35.1	Very low	34.5	Very low	135 Å²	135	147.8 Å²	147.8	82%	0.818	78%	0.781	S	S	*	*			trans	-132.7	108.4	145.6	178.4	0	0	0	0	108	V33	V31-V33 HydrophobicContact CG1-CG2 4.27Å
32	F	30	Very low	34.2	Very low	184 Å²	184	149.3 Å²	149.3	81%	0.807	79%	0.791	S	S	*	*			trans	-80.4	126.4	167.4	-109.3	-95	0	0	0	108.5
33	V	35.5	Very low	34.1	Very low	115 Å²	115	144.7 Å²	144.7	70%	0.697	79%	0.785	S	S	*	*			trans	-132.6	110.8	154.3	179.3	0	0	0	0	108.2	V31 L35	V31-V33 HydrophobicContact CG1-CG2 4.27Å; V33-L35 HydrophobicContact CG1-CD1 4.43Å; V33-L35 HydrophobicContact CG1-CG 4.22Å
34	R	29.9	Very low	33.8	Very low	225 Å²	225	145.4 Å²	145.4	85%	0.849	78%	0.782	S	S	*	*			trans	-74.1	124.4	164.2	-78.2	177.4	174.9	176	-1.7	108.3
35	L	34.5	Very low	33.7	Very low	161 Å²	161	144.8 Å²	144.8	84%	0.843	78%	0.782	S	S	*	*			trans	-142.4	136.5	154.7	-74.8	176.7	0	0	0	110.6	V33	V33-L35 HydrophobicContact CG1-CD1 4.43Å; V33-L35 HydrophobicContact CG1-CG 4.22Å
36	T	35.3	Very low	33.3	Very low	124 Å²	124	145.9 Å²	145.9	76%	0.761	78%	0.775	S	S	*	*			trans	-71.5	163	-172.1	43	0	0	0	0	114
37	P	33.1	Very low	33.1	Very low	122 Å²	122	144.1 Å²	144.1	79%	0.792	77%	0.77	S	S	*	*			trans	-90.5	120.2	-170.7	34.3	-28.7	0	0	0	111.9
38	T	36.9	Very low	32.9	Very low	130 Å²	130	144.5 Å²	144.5	80%	0.798	77%	0.774	S	S	*	*			trans	-145.3	113.8	159.7	48.4	0	0	0	0	110
39	V	34.7	Very low	32.8	Very low	137 Å²	137	146 Å²	146	83%	0.83	78%	0.779	S	S	*	*			trans	17.4	130.4	146.1	-172	0	0	0	0	118
40	E	32.8	Very low	32.8	Very low	162 Å²	162	147.8 Å²	147.8	76%	0.757	78%	0.783	S	S	*	*			trans	108.2	121.7	162.8	-83.8	176.5	-161.8	0	0	119.5
41	K	32.1	Very low	32.9	Very low	173 Å²	173	152 Å²	152	75%	0.752	79%	0.792	S	S	*	*			trans	69.5	97	155.8	-65.3	172.6	-176.5	164.7	0	117.4	T43	K41-T43 PolarHBondContact O-N 3.02Å
42	T	32.4	Very low	32.9	Very low	148 Å²	148	153.3 Å²	153.3	91%	0.908	79%	0.794	S	S	*	*			trans	-60	94.3	165.7	-43.3	0	0	0	0	110.1	M44	T42-M44 PolarHBondContact O-N 3.43Å
43	T	31	Very low	33	Very low	116 Å²	116	149.6 Å²	149.6	71%	0.712	80%	0.798	S	S	*	*			trans	-73	115.3	166.7	-55.8	0	0	0	0	107.6	K41 I45	K41-T43 PolarHBondContact O-N 3.02Å; T43-I45 PolarHBondContact O-N 3.45Å
44	M	30.6	Very low	33	Very low	137 Å²	137	147.4 Å²	147.4	68%	0.675	79%	0.787	S	S	*	*			trans	-66.1	116.8	169.3	-94.7	-150	-73.8	0	0	109.2	T42 Y46	T42-M44 PolarHBondContact O-N 3.43Å; M44-Y46 HydrophobicContact CB-CE2 4.45Å; M44-Y46 PolarHBondContact O-N 2.97Å
45	I	33.3	Very low	33.5	Very low	147 Å²	147	142.1 Å²	142.1	75%	0.754	78%	0.78	S	S	*	*			trans	-80.9	107.4	169.9	-59.2	174.4	0	0	0	107.1	T43 V47	T43-I45 PolarHBondContact O-N 3.45Å; I45-V47 HydrophobicContact CG2-CG2 4.14Å; I45-V47 PolarHBondContact O-N 3Å
46	Y	29.7	Very low	33.7	Very low	192 Å²	192	140.2 Å²	140.2	75%	0.753	78%	0.777	S	S	*	*			trans	-75	108.6	166.9	-73.9	-89.4	0	0	0	108.4	M44 S48	M44-Y46 HydrophobicContact CB-CE2 4.45Å; M44-Y46 PolarHBondContact O-N 2.97Å; Y46-S48 PolarHBondContact O-N 3.34Å
47	V	32.7	Very low	34.4	Very low	115 Å²	115	136.6 Å²	136.6	70%	0.697	77%	0.765	S	S	*	*			trans	-88	97.8	165.2	-176.2	0	0	0	0	107.1	I45 M49	I45-V47 HydrophobicContact CG2-CG2 4.14Å; I45-V47 PolarHBondContact O-N 3Å; V47-M49 HydrophobicContact CG1-CG 4.11Å; V47-M49 PolarHBondContact O-N 3.05Å
48	S	28.5	Very low	35.5	Very low	112 Å²	112	134.9 Å²	134.9	78%	0.783	76%	0.756	S	S	*	*			trans	-73.9	109.8	166.6	48.4	0	0	0	0	108.7	Y46	Y46-S48 PolarHBondContact O-N 3.34Å
49	M	35.2	Very low	37	Very low	173 Å²	173	135 Å²	135	85%	0.852	74%	0.742	S	S	*	*			trans	-99.7	129	163	-67.7	-158.9	-71.2	0	0	108.5	V47	V47-M49 HydrophobicContact CG1-CG 4.11Å; V47-M49 PolarHBondContact O-N 3.05Å
50	E	34.5	Very low	39.3	Very low	197 Å²	197	133 Å²	133	92%	0.921	73%	0.734	S	S	*	*			trans	-60.8	144.1	-169.8	-74.1	168.8	144.4	0	0	113.7	D52	E50-D52 PolarHBondContact O-N 3.25Å
51	E	32.9	Very low	42	Very low	188 Å²	188	125.4 Å²	125.4	88%	0.879	70%	0.699	S	S	*	*			trans	-69.4	113.3	-177.5	-69.9	173.2	130.1	0	0	112.1
52	D	35.6	Very low	44.6	Very low	161 Å²	161	121.5 Å²	121.5	86%	0.861	69%	0.686	S	S	*	*			trans	-91.2	107.9	147.2	-84.6	-30.8	0	0	0	108.6	E50 S54	E50-D52 PolarHBondContact O-N 3.25Å; D52-S54 PolarHBondContact O-N 3.46Å
53	A	32.5	Very low	47.1	Very low	106 Å²	106	118.3 Å²	118.3	88%	0.876	66%	0.66	S	S	*	*			trans	-50.3	99.4	-174.3	0	0	0	0	0	113.4
54	S	35.5	Very low	49.8	Very low	69 Å²	69	114 Å²	114	48%	0.483	63%	0.631	S	S	.	*			trans	-129.1	119.3	152.6	53.5	0	0	0	0	108.2	D52	D52-S54 PolarHBondContact O-N 3.46Å
55	T	39.1	Very low	52.4	Low	114 Å²	114	113.9 Å²	113.9	70%	0.699	63%	0.629	S	S	*	*			trans	-39.9	130.1	-173.5	-25.8	0	0	0	0	112.6	G57 S58	T55-G57 PolarHBondContact O-N 2.87Å; T55-S58 PolarHBondContact O-N 3.26Å
56	P	39.4	Very low	55	Low	121 Å²	121	110.7 Å²	110.7	79%	0.786	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	96.3	-175.7	27.1	-32.3	0	0	0	109.7
57	G	49.9	Very low	57.8	Low	49 Å²	49	102 Å²	102	51%	0.505	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	141.6	3.2	177.6	0	0	0	0	0	117	T55	T55-G57 PolarHBondContact O-N 2.87Å
58	S	55.7	Low	60.3	Low	86 Å²	86	103.4 Å²	103.4	60%	0.601	58%	0.579	S	S	*	*			trans	-111.3	8.6	-173.4	96.2	0	0	0	0	116.7	T55	T55-S58 PolarHBondContact O-N 3.26Å
59	R	69.3	Low	62.8	Low	132 Å²	132	101.3 Å²	101.3	50%	0.498	58%	0.576	S	S	.	*			trans	-89.8	116.8	170.9	-74.9	-167.7	-170.8	-179.1	5.6	109.6	M68 C78	R59-M68 PolarHBondContact NH1-SD 2.85Å; R59-M68 VanDerWaalsContact NH1-SD 3.4Å; R59-C78 PolarHBondContact O-N 3.43Å; R59-C78 VanDerWaalsContact O-N 3.08Å
60	S	83.4	Confident	65.2	Low	96 Å²	96	99.3 Å²	99.3	67%	0.671	56%	0.564	S	S	*	*	B	Isolated β-bridge	trans	-69.3	137.6	168.1	54.3	0	0	0	0	109.3	Y76	S60-Y76 CarbonylContact C-O 3.42Å; S60-Y76 WeakPolarHBondContact CA-O 3.49Å
61	C	89.7	Confident	67.9	Low	1 Å²	1	90.7 Å²	90.7	1%	0.007	53%	0.526	C	S	.	.			trans	-128.9	148.6	174.8	57.9	0	0	0	0	110.3	E66 C67 C73 Y76 H77	C61-E66 WeakPolarHBondContact CA-OE2 3.45Å; C61-E66 HydrophobicContact CB-CB 3.99Å; C61-C67 VanDerWaalsContact SG-SG 3.64Å; C61-C73 HydrophobicContact CB-CB 3.92Å; C61-C73 WeakPolarHBondContact CB-SG 3.47Å; C61-C73 WeakPolarHBondContact SG-CA 3.43Å; C61-C73 WeakPolarHBondContact SG-CB 3.39Å; C61-C73 CovalentContact SG-SG 2.03Å; C61-C73 PolarHBondContact SG-SG 2.82Å; C61-Y76 PolarHBondContact N-O 3.06Å; C61-Y76 CarbonylContact O-C 3.51Å; C61-Y76 WeakPolarHBondContact O-CA 3.43Å; C61-Y76 VanDerWaalsContact O-CB 3.29Å; C61-Y76 WeakPolarHBondContact O-CB 3.44Å; C61-Y76 VanDerWaalsContact O-CD1 3.29Å; C61-Y76 WeakPolarHBondContact O-CD1 3.43Å; C61-H77 PolarHBondContact SG-N 3.19Å; C61-H77 VanDerWaalsContact SG-N 3.39Å
62	N	84.9	Confident	70.7	Confident	92 Å²	92	81.8 Å²	81.8	49%	0.492	48%	0.484	S	S	.	.	S	Bend	trans	-100.1	-27.8	165.9	-59.7	-63.3	0	0	0	111.8	E66	N62-E66 WeakPolarHBondContact CB-OE1 3.26Å; N62-E66 PolarHBondContact N-OE2 3.17Å
63	F	85.4	Confident	73.3	Confident	81 Å²	81	74.8 Å²	74.8	36%	0.355	45%	0.447	S	S	.	.	S	Bend	trans	-140.5	163.6	-176.8	-45.4	-76.3	0	0	0	110.7	E65 E66 R308	F63-E65 VanDerWaalsContact C-N 3.28Å; F63-E65 PolarHBondContact O-N 3.46Å; F63-E66 WeakPolarHBondContact CD2-OE1 3.45Å; F63-E66 PolarHBondContact O-N 3.43Å; F63-R308 VanDerWaalsContact CE1-NH2 3.32Å
64	Q	87.4	Confident	75.9	Confident	24 Å²	24	71.6 Å²	71.6	11%	0.112	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-59.6	-34.4	-177.3	177.7	53.7	47.9	0	0	113.4	E66 C67 S71 R99 I101	Q64-E66 PolarHBondContact O-N 3.45Å; Q64-C67 WeakPolarHBondContact O-CB 3.4Å; Q64-C67 PolarHBondContact O-N 2.98Å; Q64-S71 PolarHBondContact NE2-O 3.25Å; Q64-R99 HydrophobicContact CG-CB 4.46Å; Q64-I101 HydrophobicContact CG-CG1 4.33Å; Q64-I101 VanDerWaalsContact NE2-CD1 3.32Å
65	E	86	Confident	78.2	Confident	135 Å²	135	75.6 Å²	75.6	63%	0.631	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-67.8	-19.7	-179	-65.4	131	-138.6	0	0	113.9	F63 C67	F63-E65 VanDerWaalsContact C-N 3.28Å; F63-E65 PolarHBondContact O-N 3.46Å; E65-C67 PolarHBondContact O-N 2.9Å
66	E	87.6	Confident	80.6	Confident	80 Å²	80	76.1 Å²	76.1	37%	0.374	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-75.1	-14.1	176.7	-63.1	179.1	-160.6	0	0	112.1	C61 N62 F63 Q64	C61-E66 WeakPolarHBondContact CA-OE2 3.45Å; C61-E66 HydrophobicContact CB-CB 3.99Å; N62-E66 WeakPolarHBondContact CB-OE1 3.26Å; N62-E66 PolarHBondContact N-OE2 3.17Å; F63-E66 WeakPolarHBondContact CD2-OE1 3.45Å; F63-E66 PolarHBondContact O-N 3.43Å; Q64-E66 PolarHBondContact O-N 3.45Å
67	C	88	Confident	83	Confident	10 Å²	10	74.9 Å²	74.9	7%	0.068	40%	0.4	C	S	.	.	S	Bend	trans	-91.7	115.7	178.4	-64.6	0	0	0	0	110.8	C61 Q64 E65 S71 C78	C61-C67 VanDerWaalsContact SG-SG 3.64Å; Q64-C67 WeakPolarHBondContact O-CB 3.4Å; Q64-C67 PolarHBondContact O-N 2.98Å; E65-C67 PolarHBondContact O-N 2.9Å; C67-S71 WeakPolarHBondContact CB-OG 3.36Å; C67-C78 WeakPolarHBondContact CA-SG 3.5Å; C67-C78 HydrophobicContact CB-CB 3.83Å; C67-C78 WeakPolarHBondContact CB-SG 3.29Å; C67-C78 WeakPolarHBondContact SG-CA 3.47Å; C67-C78 WeakPolarHBondContact SG-CB 3.28Å; C67-C78 CovalentContact SG-SG 2.05Å; C67-C78 PolarHBondContact SG-SG 2.49Å
68	M	84.8	Confident	85	Confident	144 Å²	144	73.3 Å²	73.3	71%	0.709	38%	0.381	S	S	*	.			trans	-77.9	147.5	-179.8	-69.3	-175.4	146.5	0	0	112	R59 S71	R59-M68 PolarHBondContact NH1-SD 2.85Å; R59-M68 VanDerWaalsContact NH1-SD 3.4Å; M68-S71 PolarHBondContact O-OG 2.8Å
69	G	83	Confident	86.7	Confident	69 Å²	69	71.9 Å²	71.9	71%	0.711	37%	0.369	S	S	*	.	S	Bend	trans	67.7	-138.8	174.3	0	0	0	0	0	113.4	S71	G69-S71 VanDerWaalsContact C-N 3.32Å; G69-S71 PolarHBondContact O-N 2.96Å
70	Q	85.5	Confident	87.8	Confident	131 Å²	131	68.3 Å²	68.3	61%	0.612	37%	0.367	S	S	*	.	S	Bend	trans	-92.6	58.7	179.6	-62.4	-179.9	-22.1	0	0	110.6	A81 F106	Q70-A81 PolarHBondContact O-N 2.79Å; Q70-F106 HydrophobicContact CB-CE1 4.25Å; Q70-F106 HydrophobicContact CG-CE1 4.12Å
71	S	91.1	Very high	88.2	Confident	16 Å²	16	63.8 Å²	63.8	11%	0.112	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.1	177	59.7	0	0	0	0	111.4	Q64 C67 M68 G69 V79	Q64-S71 PolarHBondContact NE2-O 3.25Å; C67-S71 WeakPolarHBondContact CB-OG 3.36Å; M68-S71 PolarHBondContact O-OG 2.8Å; G69-S71 VanDerWaalsContact C-N 3.32Å; G69-S71 PolarHBondContact O-N 2.96Å; S71-V79 CarbonylContact C-O 3.5Å; S71-V79 WeakPolarHBondContact CA-O 3.46Å; S71-V79 WeakPolarHBondContact CB-O 3.49Å
72	V	90.8	Very high	88.4	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	140.5	177.7	-68.5	0	0	0	0	111.8	I74 V79 A81 R99 I101 F106 P108	V72-I74 HydrophobicContact CB-CG1 4.44Å; V72-I74 HydrophobicContact CG2-CD1 3.55Å; V72-I74 HydrophobicContact CG2-CG1 3.83Å; V72-I74 PolarHBondContact O-N 2.88Å; V72-V79 PolarHBondContact N-O 3.08Å; V72-V79 PolarHBondContact O-N 2.8Å; V72-A81 HydrophobicContact CB-CB 4.28Å; V72-A81 HydrophobicContact CG1-CB 3.67Å; V72-A81 HydrophobicContact CG2-CB 3.94Å; V72-R99 HydrophobicContact CB-CB 4.42Å; V72-R99 HydrophobicContact CB-CG 3.96Å; V72-R99 HydrophobicContact CG1-CB 3.77Å; V72-R99 HydrophobicContact CG1-CG 3.85Å; V72-I101 HydrophobicContact CG1-CD1 3.97Å; V72-F106 HydrophobicContact CG1-CB 3.92Å; V72-P108 HydrophobicContact CG2-CB 4.2Å
73	C	90.3	Very high	88.8	Confident	14 Å²	14	65.4 Å²	65.4	10%	0.095	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	108.8	173.9	-172.5	0	0	0	0	110.2	C61	C61-C73 HydrophobicContact CB-CB 3.92Å; C61-C73 WeakPolarHBondContact CB-SG 3.47Å; C61-C73 WeakPolarHBondContact SG-CA 3.43Å; C61-C73 WeakPolarHBondContact SG-CB 3.39Å; C61-C73 CovalentContact SG-SG 2.03Å; C61-C73 PolarHBondContact SG-SG 2.82Å
74	I	86.4	Confident	89	Confident	39 Å²	39	62.8 Å²	62.8	20%	0.2	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.9	178.2	-63.2	179.4	0	0	0	108.2	V72 Y76 H77 V79 P108	V72-I74 HydrophobicContact CB-CG1 4.44Å; V72-I74 HydrophobicContact CG2-CD1 3.55Å; V72-I74 HydrophobicContact CG2-CG1 3.83Å; V72-I74 PolarHBondContact O-N 2.88Å; I74-Y76 PolarHBondContact O-N 2.98Å; I74-H77 PolarHBondContact N-O 3.09Å; I74-H77 PolarHBondContact O-N 3.39Å; I74-H77 VanDerWaalsContact O-O 3.1Å; I74-V79 HydrophobicContact CB-CG2 4.33Å; I74-P108 HydrophobicContact CD1-CB 3.84Å; I74-P108 HydrophobicContact CD1-CG 3.56Å
75	Q	85.3	Confident	89	Confident	153 Å²	153	71 Å²	71	72%	0.715	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	44.5	178.3	-64.1	-179.7	-22.5	0	0	113.1	H77	Q75-H77 PolarHBondContact O-CD2 2.93Å; Q75-H77 PolarHBondContact O-N 3.33Å
76	Y	88.8	Confident	89	Confident	125 Å²	125	70.3 Å²	70.3	49%	0.49	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	20.3	-176.5	-49.1	-90.7	0	0	0	115.8	S60 C61 I74	S60-Y76 CarbonylContact C-O 3.42Å; S60-Y76 WeakPolarHBondContact CA-O 3.49Å; C61-Y76 PolarHBondContact N-O 3.06Å; C61-Y76 CarbonylContact O-C 3.51Å; C61-Y76 WeakPolarHBondContact O-CA 3.43Å; C61-Y76 VanDerWaalsContact O-CB 3.29Å; C61-Y76 WeakPolarHBondContact O-CB 3.44Å; C61-Y76 VanDerWaalsContact O-CD1 3.29Å; C61-Y76 WeakPolarHBondContact O-CD1 3.43Å; I74-Y76 PolarHBondContact O-N 2.98Å
77	H	89.8	Confident	89.2	Confident	95 Å²	95	72 Å²	72	44%	0.44	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.8	175	-65.3	-71.4	0	0	0	111.1	C61 I74 Q75 V79	C61-H77 PolarHBondContact SG-N 3.19Å; C61-H77 VanDerWaalsContact SG-N 3.39Å; I74-H77 PolarHBondContact N-O 3.09Å; I74-H77 PolarHBondContact O-N 3.39Å; I74-H77 VanDerWaalsContact O-O 3.1Å; Q75-H77 PolarHBondContact O-CD2 2.93Å; Q75-H77 PolarHBondContact O-N 3.33Å; H77-V79 PolarHBondContact O-N 3.3Å
78	C	91.7	Very high	89.4	Confident	17 Å²	17	71.6 Å²	71.6	12%	0.115	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	115.4	170	-63.4	0	0	0	0	110.1	R59 C67	R59-C78 PolarHBondContact O-N 3.43Å; R59-C78 VanDerWaalsContact O-N 3.08Å; C67-C78 WeakPolarHBondContact CA-SG 3.5Å; C67-C78 HydrophobicContact CB-CB 3.83Å; C67-C78 WeakPolarHBondContact CB-SG 3.29Å; C67-C78 WeakPolarHBondContact SG-CA 3.47Å; C67-C78 WeakPolarHBondContact SG-CB 3.28Å; C67-C78 CovalentContact SG-SG 2.05Å; C67-C78 PolarHBondContact SG-SG 2.49Å
79	V	90.9	Very high	89.7	Confident	55 Å²	55	73 Å²	73	33%	0.333	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133	-179.9	-172.2	0	0	0	0	109	S71 V72 I74 H77 A81 P108	S71-V79 CarbonylContact C-O 3.5Å; S71-V79 WeakPolarHBondContact CA-O 3.46Å; S71-V79 WeakPolarHBondContact CB-O 3.49Å; V72-V79 PolarHBondContact N-O 3.08Å; V72-V79 PolarHBondContact O-N 2.8Å; I74-V79 HydrophobicContact CB-CG2 4.33Å; H77-V79 PolarHBondContact O-N 3.3Å; V79-A81 PolarHBondContact O-N 3.35Å; V79-P108 HydrophobicContact CG1-CB 4.15Å
80	A	92	Very high	89.9	Confident	57 Å²	57	72.4 Å²	72.4	47%	0.471	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	139.2	176.2	0	0	0	0	0	111.6	P108 I109	A80-P108 WeakPolarHBondContact O-CA 3.26Å; A80-I109 HydrophobicContact CB-CD1 3.99Å; A80-I109 PolarHBondContact O-N 3.49Å
81	A	93.2	Very high	89.9	Confident	1 Å²	1	71.2 Å²	71.2	1%	0.008	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.9	-170.4	0	0	0	0	0	111.6	Q70 V72 V79 F106 R107	Q70-A81 PolarHBondContact O-N 2.79Å; V72-A81 HydrophobicContact CB-CB 4.28Å; V72-A81 HydrophobicContact CG1-CB 3.67Å; V72-A81 HydrophobicContact CG2-CB 3.94Å; V79-A81 PolarHBondContact O-N 3.35Å; A81-F106 HydrophobicContact CB-CB 4.07Å; A81-F106 HydrophobicContact CB-CD1 4.15Å; A81-R107 CarbonylContact C-O 3.45Å; A81-R107 WeakPolarHBondContact CA-O 3.23Å; A81-R107 WeakPolarHBondContact CB-O 3.15Å
82	E	93.2	Very high	89.6	Confident	70 Å²	70	74.7 Å²	74.7	33%	0.327	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.1	172.9	61.1	-178.1	-167.9	0	0	110.2	F106 R107 I109	E82-F106 CarbonylContact O-C 3.46Å; E82-F106 WeakPolarHBondContact O-CA 3.49Å; E82-R107 HydrophobicContact CG-CG 3.81Å; E82-R107 PolarHBondContact N-O 3.09Å; E82-R107 PolarHBondContact O-N 2.66Å; E82-R107 IonicContact OE1-CZ 3.44Å; E82-R107 IonicContact OE1-NE 2.66Å; E82-R107 PolarHBondContact OE1-NE 2.93Å; E82-R107 IonicContact OE1-NH2 3.07Å; E82-R107 PolarHBondContact OE1-NH2 3.28Å; E82-I109 HydrophobicContact CB-CG1 4.21Å; E82-I109 HydrophobicContact CG-CG1 4.37Å
83	P	92.8	Very high	89.4	Confident	58 Å²	58	79.8 Å²	79.8	38%	0.377	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	145.1	174.7	28.5	-33.7	0	0	0	110.3	F106	P83-F106 HydrophobicContact CB-CD1 4.42Å; P83-F106 HydrophobicContact CB-CE1 4.05Å; P83-F106 HydrophobicContact CB-CE2 4.19Å; P83-F106 HydrophobicContact CB-CZ 3.93Å; P83-F106 HydrophobicContact CG-CE1 4.39Å
84	T	90.6	Very high	89.4	Confident	26 Å²	26	80 Å²	80	16%	0.16	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	176.8	172.1	67.9	0	0	0	0	110.2	H86 C105 R107	T84-H86 PolarHBondContact O-N 2.73Å; T84-H86 PolarHBondContact OG1-N 2.81Å; T84-C105 WeakPolarHBondContact CB-O 3.46Å; T84-C105 WeakPolarHBondContact CG2-O 3.33Å; T84-C105 PolarHBondContact N-O 2.87Å; T84-C105 WeakPolarHBondContact OG1-CB 3.41Å; T84-C105 PolarHBondContact OG1-O 2.81Å; T84-R107 HydrophobicContact CG2-CB 3.99Å; T84-R107 HydrophobicContact CG2-CG 3.9Å
85	E	86.7	Confident	89.4	Confident	195 Å²	195	79.8 Å²	79.8	91%	0.911	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	0.2	176	-62.4	179	-175.6	0	0	113.1
86	H	86.8	Confident	89.3	Confident	122 Å²	122	78.5 Å²	78.5	57%	0.565	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.5	-176.6	-59.1	-55	0	0	0	112.1	T84 C105	T84-H86 PolarHBondContact O-N 2.73Å; T84-H86 PolarHBondContact OG1-N 2.81Å; H86-C105 HydrophobicContact CB-CB 4.35Å; H86-C105 PolarHBondContact O-N 2.79Å
87	T	91.3	Very high	89.1	Confident	114 Å²	114	73.3 Å²	73.3	70%	0.699	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	146.9	169.9	55.4	0	0	0	0	110.9	G103	T87-G103 CarbonylContact C-O 3.57Å; T87-G103 WeakPolarHBondContact CA-O 3.43Å
88	C	93.2	Very high	89.2	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.014	40%	0.404	C	S	.	.			trans	-143.2	151.2	-178.8	58.9	0	0	0	0	112.3	Q93 C94 C100 G103 M104 C105	C88-Q93 VanDerWaalsContact CA-OE1 3.3Å; C88-Q93 HydrophobicContact CB-CB 4.1Å; C88-C94 VanDerWaalsContact SG-SG 3.69Å; C88-C100 HydrophobicContact CB-CB 3.85Å; C88-C100 WeakPolarHBondContact CB-SG 3.36Å; C88-C100 PolarHBondContact O-SG 3.23Å; C88-C100 VanDerWaalsContact O-SG 3.37Å; C88-C100 WeakPolarHBondContact SG-CA 3.44Å; C88-C100 WeakPolarHBondContact SG-CB 3.48Å; C88-C100 CovalentContact SG-SG 2.02Å; C88-C100 PolarHBondContact SG-SG 3.08Å; C88-G103 PolarHBondContact N-O 3.11Å; C88-G103 CarbonylContact O-C 3.55Å; C88-G103 VanDerWaalsContact O-CA 3.23Å; C88-G103 WeakPolarHBondContact O-CA 3.43Å; C88-M104 PolarHBondContact SG-O 2.88Å; C88-M104 VanDerWaalsContact SG-O 3.4Å; C88-C105 VanDerWaalsContact CB-SG 3.54Å
89	H	89.6	Confident	89.1	Confident	175 Å²	175	71.6 Å²	71.6	81%	0.81	41%	0.406	S	S	*	.	S	Bend	trans	-110	-16.1	169.3	-60.5	-62.7	0	0	0	111.7
90	S	88	Confident	89.2	Confident	55 Å²	55	70.2 Å²	70.2	39%	0.385	40%	0.399	S	S	.	.	S	Bend	trans	-148.2	161.7	176.7	70	0	0	0	0	110.9	A92 Q93	S90-A92 PolarHBondContact O-N 2.93Å; S90-Q93 PolarHBondContact O-N 3.48Å
91	Q	84.9	Confident	89.1	Confident	106 Å²	106	69 Å²	69	50%	0.495	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-61.3	-25.5	178.3	-62.4	-179.7	13.1	0	0	113.1	Q93 C94 C100	Q91-Q93 PolarHBondContact O-N 3.27Å; Q91-C94 PolarHBondContact O-N 2.96Å; Q91-C100 HydrophobicContact CG-CB 4.45Å
92	A	85	Confident	88.8	Confident	89 Å²	89	74.6 Å²	74.6	74%	0.736	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-70.2	-18.1	-179.2	0	0	0	0	0	113.8	S90 C94	S90-A92 PolarHBondContact O-N 2.93Å; A92-C94 VanDerWaalsContact C-N 3.33Å
93	Q	87.9	Confident	88.7	Confident	107 Å²	107	72.9 Å²	72.9	50%	0.5	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-84.7	-9.4	177.7	-68.8	177.2	-24	0	0	113.2	C88 S90 Q91	C88-Q93 VanDerWaalsContact CA-OE1 3.3Å; C88-Q93 HydrophobicContact CB-CB 4.1Å; S90-Q93 PolarHBondContact O-N 3.48Å; Q91-Q93 PolarHBondContact O-N 3.27Å
94	C	89.7	Confident	88.6	Confident	18 Å²	18	74.1 Å²	74.1	12%	0.122	43%	0.426	C	S	.	.	S	Bend	trans	-92.3	156.3	-179.9	-59.3	0	0	0	0	111.8	C88 Q91 A92 E98 C105	C88-C94 VanDerWaalsContact SG-SG 3.69Å; Q91-C94 PolarHBondContact O-N 2.96Å; A92-C94 VanDerWaalsContact C-N 3.33Å; C94-E98 HydrophobicContact CB-CB 3.72Å; C94-C105 WeakPolarHBondContact CA-SG 3.36Å; C94-C105 HydrophobicContact CB-CB 3.7Å; C94-C105 WeakPolarHBondContact CB-SG 3.42Å; C94-C105 VanDerWaalsContact SG-CA 3.52Å; C94-C105 WeakPolarHBondContact SG-CB 3.47Å; C94-C105 CovalentContact SG-SG 2.04Å; C94-C105 PolarHBondContact SG-SG 2.75Å
95	G	85.9	Confident	88.8	Confident	36 Å²	36	72.9 Å²	72.9	37%	0.371	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-63.3	168.4	177.1	0	0	0	0	0	113.2	G97 E98	G95-G97 PolarHBondContact O-N 3.09Å; G95-G97 VanDerWaalsContact O-N 3.14Å; G95-E98 WeakPolarHBondContact CA-OE2 3.15Å; G95-E98 PolarHBondContact N-OE2 3.23Å; G95-E98 VanDerWaalsContact O-CB 3.31Å; G95-E98 WeakPolarHBondContact O-CB 3.45Å; G95-E98 PolarHBondContact O-N 2.89Å
96	V	84.3	Confident	89.1	Confident	125 Å²	125	64.2 Å²	64.2	76%	0.758	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	119	177.2	179.6	0	0	0	0	110.1	E98 L400	V96-E98 VanDerWaalsContact C-N 3.34Å; V96-L400 HydrophobicContact CB-CD2 4.41Å; V96-L400 HydrophobicContact CG1-CD2 3.4Å; V96-L400 HydrophobicContact CG1-CG 4.35Å
97	G	84.5	Confident	89.4	Confident	17 Å²	17	64.1 Å²	64.1	18%	0.175	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-0.1	-179.3	0	0	0	0	0	113.9	G95 P108 L400	G95-G97 PolarHBondContact O-N 3.09Å; G95-G97 VanDerWaalsContact O-N 3.14Å; G97-P108 VanDerWaalsContact O-CD 3.24Å; G97-P108 WeakPolarHBondContact O-CD 3.49Å; G97-L400 VanDerWaalsContact N-CD2 3.31Å
98	E	91	Very high	89.4	Confident	32 Å²	32	60.7 Å²	60.7	15%	0.15	35%	0.352	C	S	.	.			trans	-95.4	160.9	175.5	-53.5	-175.1	163	0	0	110.9	C94 G95 V96 F106 R107	C94-E98 HydrophobicContact CB-CB 3.72Å; G95-E98 WeakPolarHBondContact CA-OE2 3.15Å; G95-E98 PolarHBondContact N-OE2 3.23Å; G95-E98 VanDerWaalsContact O-CB 3.31Å; G95-E98 WeakPolarHBondContact O-CB 3.45Å; G95-E98 PolarHBondContact O-N 2.89Å; V96-E98 VanDerWaalsContact C-N 3.34Å; E98-F106 CarbonylContact C-O 3.53Å; E98-F106 WeakPolarHBondContact CA-O 3.45Å; E98-F106 WeakPolarHBondContact CB-O 3.14Å; E98-R107 HydrophobicContact CG-CB 3.79Å
99	R	89.6	Confident	89.2	Confident	44 Å²	44	64.5 Å²	64.5	17%	0.166	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	140.9	178	-62.4	-68.8	179.1	-103.4	7.7	110.3	Q64 V72 I101 C105 F106	Q64-R99 HydrophobicContact CG-CB 4.46Å; V72-R99 HydrophobicContact CB-CB 4.42Å; V72-R99 HydrophobicContact CB-CG 3.96Å; V72-R99 HydrophobicContact CG1-CB 3.77Å; V72-R99 HydrophobicContact CG1-CG 3.85Å; R99-I101 HydrophobicContact CB-CG1 4.46Å; R99-I101 PolarHBondContact O-N 2.83Å; R99-C105 CarbonylContact O-C 3.53Å; R99-C105 WeakPolarHBondContact O-CA 3.14Å; R99-F106 PolarHBondContact N-O 2.87Å; R99-F106 PolarHBondContact O-N 2.83Å
100	C	92	Very high	88.6	Confident	26 Å²	26	60.6 Å²	60.6	18%	0.176	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	116.4	174.2	-168	0	0	0	0	109.8	C88 Q91	C88-C100 HydrophobicContact CB-CB 3.85Å; C88-C100 WeakPolarHBondContact CB-SG 3.36Å; C88-C100 PolarHBondContact O-SG 3.23Å; C88-C100 VanDerWaalsContact O-SG 3.37Å; C88-C100 WeakPolarHBondContact SG-CA 3.44Å; C88-C100 WeakPolarHBondContact SG-CB 3.48Å; C88-C100 CovalentContact SG-SG 2.02Å; C88-C100 PolarHBondContact SG-SG 3.08Å; Q91-C100 HydrophobicContact CG-CB 4.45Å
101	I	90.3	Very high	87.1	Confident	32 Å²	32	67.1 Å²	67.1	16%	0.164	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	118.3	176.9	-51.2	176.9	0	0	0	107.7	Q64 V72 R99 G103 M104 F106	Q64-I101 HydrophobicContact CG-CG1 4.33Å; Q64-I101 VanDerWaalsContact NE2-CD1 3.32Å; V72-I101 HydrophobicContact CG1-CD1 3.97Å; R99-I101 HydrophobicContact CB-CG1 4.46Å; R99-I101 PolarHBondContact O-N 2.83Å; I101-G103 VanDerWaalsContact C-N 3.26Å; I101-G103 PolarHBondContact O-N 3.42Å; I101-M104 PolarHBondContact N-O 3.21Å; I101-M104 PolarHBondContact O-N 3.27Å; I101-M104 VanDerWaalsContact O-N 3.16Å; I101-F106 HydrophobicContact CB-CD2 3.59Å; I101-F106 HydrophobicContact CB-CE2 3.74Å; I101-F106 HydrophobicContact CB-CG 4.31Å; I101-F106 HydrophobicContact CD1-CB 3.89Å; I101-F106 HydrophobicContact CD1-CD1 4.26Å; I101-F106 HydrophobicContact CD1-CD2 3.96Å; I101-F106 HydrophobicContact CD1-CG 3.78Å; I101-F106 HydrophobicContact CG1-CB 4.36Å; I101-F106 HydrophobicContact CG1-CD2 3.95Å; I101-F106 HydrophobicContact CG1-CG 4.25Å; I101-F106 HydrophobicContact CG2-CE2 4.34Å
102	S	87.9	Confident	85.2	Confident	118 Å²	118	73 Å²	73	83%	0.825	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.5	177	-55.7	0	0	0	0	114.5
103	G	90.3	Very high	83	Confident	34 Å²	34	80.6 Å²	80.6	35%	0.351	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-0.5	176.1	0	0	0	0	0	115.7	T87 C88 I101	T87-G103 CarbonylContact C-O 3.57Å; T87-G103 WeakPolarHBondContact CA-O 3.43Å; C88-G103 PolarHBondContact N-O 3.11Å; C88-G103 CarbonylContact O-C 3.55Å; C88-G103 VanDerWaalsContact O-CA 3.23Å; C88-G103 WeakPolarHBondContact O-CA 3.43Å; I101-G103 VanDerWaalsContact C-N 3.26Å; I101-G103 PolarHBondContact O-N 3.42Å
104	M	92.2	Very high	80.7	Confident	83 Å²	83	87.1 Å²	87.1	41%	0.409	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.8	179.2	-66	178.8	-71.7	0	0	110.7	C88 I101 F106	C88-M104 PolarHBondContact SG-O 2.88Å; C88-M104 VanDerWaalsContact SG-O 3.4Å; I101-M104 PolarHBondContact N-O 3.21Å; I101-M104 PolarHBondContact O-N 3.27Å; I101-M104 VanDerWaalsContact O-N 3.16Å; M104-F106 HydrophobicContact CB-CD2 4.49Å; M104-F106 HydrophobicContact CB-CE2 4.09Å; M104-F106 WeakPolarHBondContact O-CD2 3.43Å
105	C	93.5	Very high	78.1	Confident	0 Å²	0	93.8 Å²	93.8	0%	0	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.4	172.8	-65.9	0	0	0	0	109.5	T84 H86 C88 C94 R99	T84-C105 WeakPolarHBondContact CB-O 3.46Å; T84-C105 WeakPolarHBondContact CG2-O 3.33Å; T84-C105 PolarHBondContact N-O 2.87Å; T84-C105 WeakPolarHBondContact OG1-CB 3.41Å; T84-C105 PolarHBondContact OG1-O 2.81Å; H86-C105 HydrophobicContact CB-CB 4.35Å; H86-C105 PolarHBondContact O-N 2.79Å; C88-C105 VanDerWaalsContact CB-SG 3.54Å; C94-C105 WeakPolarHBondContact CA-SG 3.36Å; C94-C105 HydrophobicContact CB-CB 3.7Å; C94-C105 WeakPolarHBondContact CB-SG 3.42Å; C94-C105 VanDerWaalsContact SG-CA 3.52Å; C94-C105 WeakPolarHBondContact SG-CB 3.47Å; C94-C105 CovalentContact SG-SG 2.04Å; C94-C105 PolarHBondContact SG-SG 2.75Å; R99-C105 CarbonylContact O-C 3.53Å; R99-C105 WeakPolarHBondContact O-CA 3.14Å
106	F	94.1	Very high	75.5	Confident	13 Å²	13	104 Å²	104	6%	0.057	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.5	176.3	-81.5	-110.4	0	0	0	109.6	Q70 V72 A81 E82 P83 E98 R99 I101 M104	Q70-F106 HydrophobicContact CB-CE1 4.25Å; Q70-F106 HydrophobicContact CG-CE1 4.12Å; V72-F106 HydrophobicContact CG1-CB 3.92Å; A81-F106 HydrophobicContact CB-CB 4.07Å; A81-F106 HydrophobicContact CB-CD1 4.15Å; E82-F106 CarbonylContact O-C 3.46Å; E82-F106 WeakPolarHBondContact O-CA 3.49Å; P83-F106 HydrophobicContact CB-CD1 4.42Å; P83-F106 HydrophobicContact CB-CE1 4.05Å; P83-F106 HydrophobicContact CB-CE2 4.19Å; P83-F106 HydrophobicContact CB-CZ 3.93Å; P83-F106 HydrophobicContact CG-CE1 4.39Å; E98-F106 CarbonylContact C-O 3.53Å; E98-F106 WeakPolarHBondContact CA-O 3.45Å; E98-F106 WeakPolarHBondContact CB-O 3.14Å; R99-F106 PolarHBondContact N-O 2.87Å; R99-F106 PolarHBondContact O-N 2.83Å; I101-F106 HydrophobicContact CB-CD2 3.59Å; I101-F106 HydrophobicContact CB-CE2 3.74Å; I101-F106 HydrophobicContact CB-CG 4.31Å; I101-F106 HydrophobicContact CD1-CB 3.89Å; I101-F106 HydrophobicContact CD1-CD1 4.26Å; I101-F106 HydrophobicContact CD1-CD2 3.96Å; I101-F106 HydrophobicContact CD1-CG 3.78Å; I101-F106 HydrophobicContact CG1-CB 4.36Å; I101-F106 HydrophobicContact CG1-CD2 3.95Å; I101-F106 HydrophobicContact CG1-CG 4.25Å; I101-F106 HydrophobicContact CG2-CE2 4.34Å; M104-F106 HydrophobicContact CB-CD2 4.49Å; M104-F106 HydrophobicContact CB-CE2 4.09Å; M104-F106 WeakPolarHBondContact O-CD2 3.43Å
107	R	93	Very high	73.1	Confident	121 Å²	121	107.3 Å²	107.3	46%	0.457	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	145.5	176.7	70.3	179	-171.3	162.1	-0.7	110.8	A81 E82 T84 E98 I109	A81-R107 CarbonylContact C-O 3.45Å; A81-R107 WeakPolarHBondContact CA-O 3.23Å; A81-R107 WeakPolarHBondContact CB-O 3.15Å; E82-R107 HydrophobicContact CG-CG 3.81Å; E82-R107 PolarHBondContact N-O 3.09Å; E82-R107 PolarHBondContact O-N 2.66Å; E82-R107 IonicContact OE1-CZ 3.44Å; E82-R107 IonicContact OE1-NE 2.66Å; E82-R107 PolarHBondContact OE1-NE 2.93Å; E82-R107 IonicContact OE1-NH2 3.07Å; E82-R107 PolarHBondContact OE1-NH2 3.28Å; T84-R107 HydrophobicContact CG2-CB 3.99Å; T84-R107 HydrophobicContact CG2-CG 3.9Å; E98-R107 HydrophobicContact CG-CB 3.79Å; R107-I109 PolarHBondContact O-N 3.41Å
108	P	91.6	Very high	70.6	Confident	42 Å²	42	112 Å²	112	27%	0.273	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	136.6	177.6	22.4	-32.2	0	0	0	111.6	V72 I74 V79 A80 G97 S110	V72-P108 HydrophobicContact CG2-CB 4.2Å; I74-P108 HydrophobicContact CD1-CB 3.84Å; I74-P108 HydrophobicContact CD1-CG 3.56Å; V79-P108 HydrophobicContact CG1-CB 4.15Å; A80-P108 WeakPolarHBondContact O-CA 3.26Å; G97-P108 VanDerWaalsContact O-CD 3.24Å; G97-P108 WeakPolarHBondContact O-CD 3.49Å; P108-S110 PolarHBondContact O-N 2.79Å
109	I	89.1	Confident	68	Low	82 Å²	82	119.2 Å²	119.2	42%	0.421	55%	0.55	S	S	.	.			trans	-66.9	104.9	176.5	-60.4	172.7	0	0	0	107.6	A80 E82 R107 K111	A80-I109 HydrophobicContact CB-CD1 3.99Å; A80-I109 PolarHBondContact O-N 3.49Å; E82-I109 HydrophobicContact CB-CG1 4.21Å; E82-I109 HydrophobicContact CG-CG1 4.37Å; R107-I109 PolarHBondContact O-N 3.41Å; I109-K111 PolarHBondContact O-N 2.83Å
110	S	76.4	Confident	65.4	Low	92 Å²	92	123.7 Å²	123.7	64%	0.643	57%	0.572	S	S	*	*			trans	-63.1	121.3	174.4	69.4	0	0	0	0	109.2	P108 R112	P108-S110 PolarHBondContact O-N 2.79Å; S110-R112 PolarHBondContact O-N 2.8Å
111	K	55.2	Low	62.7	Low	192 Å²	192	130.7 Å²	130.7	84%	0.835	60%	0.597	S	S	*	*	S	Bend	trans	-70.3	64.6	168.7	-71.7	-172.7	179.4	177.7	0	109.9	I109	I109-K111 PolarHBondContact O-N 2.83Å
112	R	46.7	Very low	60.1	Low	229 Å²	229	136.7 Å²	136.7	86%	0.864	63%	0.629	S	S	*	*			trans	-142.2	59.6	167	-80.4	-157.9	171.5	-164	-0.6	111.1	S110	S110-R112 PolarHBondContact O-N 2.8Å
113	R	38.5	Very low	57.5	Low	249 Å²	249	139 Å²	139	94%	0.94	63%	0.627	S	S	*	*			trans	-127	69.3	148.8	-77.5	-168	176.5	-175.1	2.3	109	Q115	R113-Q115 PolarHBondContact O-N 3.05Å
114	R	39.3	Very low	55.2	Low	245 Å²	245	145.3 Å²	145.3	93%	0.925	65%	0.651	S	S	*	*			trans	-79.6	106	153	-81.5	-172.2	177	167.7	-0.4	106.2
115	Q	34.8	Very low	52.7	Low	158 Å²	158	146 Å²	146	74%	0.738	67%	0.67	S	S	*	*			trans	33.7	102.1	154.7	-68.8	169.3	-10.9	0	0	116.6	R113 Y117	R113-Q115 PolarHBondContact O-N 3.05Å; Q115-Y117 HydrophobicContact CB-CD2 4.28Å; Q115-Y117 PolarHBondContact O-N 3.37Å; Q115-Y117 VanDerWaalsContact O-N 3.09Å
116	R	32	Very low	50.1	Low	251 Å²	251	149.2 Å²	149.2	95%	0.947	70%	0.703	S	S	*	*			trans	-62.5	102.7	149.1	-81.1	-177.3	-173.9	171.8	0.8	107
117	Y	33	Very low	47.4	Very low	194 Å²	194	158.7 Å²	158.7	76%	0.761	75%	0.745	S	S	*	*			trans	-90.5	130.6	154.7	-103.3	-87.3	0	0	0	107.7	Q115	Q115-Y117 HydrophobicContact CB-CD2 4.28Å; Q115-Y117 PolarHBondContact O-N 3.37Å; Q115-Y117 VanDerWaalsContact O-N 3.09Å
118	P	32.3	Very low	44.6	Very low	114 Å²	114	159.9 Å²	159.9	74%	0.74	76%	0.761	S	S	*	*			trans	-79.3	125.5	176.1	31.4	-28.3	0	0	0	108.6
119	H	37	Very low	42.2	Very low	184 Å²	184	164.8 Å²	164.8	85%	0.852	79%	0.79	S	S	*	*			trans	-140.8	92.7	161.5	-133.2	-64.5	0	0	0	110.6
120	E	34.6	Very low	39.7	Very low	138 Å²	138	165 Å²	165	65%	0.645	80%	0.804	S	S	*	*			trans	-2.4	143.5	136.9	-114.2	173.2	155.8	0	0	120.4
121	Y	34.3	Very low	38.1	Very low	174 Å²	174	172.1 Å²	172.1	68%	0.682	82%	0.818	S	S	*	*			trans	73.1	104.7	157.2	-67.3	-73.5	0	0	0	120.7
122	N	36.2	Very low	37.1	Very low	157 Å²	157	166.4 Å²	166.4	84%	0.84	82%	0.815	S	S	*	*				-171.5	120.3	92.3	-97.9	-22.2	0	0	0	112.1
123	E	33.7	Very low	36.7	Very low	168 Å²	168	161.9 Å²	161.9	79%	0.785	82%	0.815	S	S	*	*			trans	-58.1	148.1	159.2	-68.9	168.8	126	0	0	110.7
124	L	42.5	Very low	36.7	Very low	165 Å²	165	154.9 Å²	154.9	86%	0.864	81%	0.81	S	S	*	*				178.4	101.9	117.6	-91.7	158.5	0	0	0	110.7
125	A	40.1	Very low	36.5	Very low	97 Å²	97	154.2 Å²	154.2	80%	0.802	81%	0.809	S	S	*	*				50.5	128.2	126.3	0	0	0	0	0	121.8
126	G	37.1	Very low	36.6	Very low	68 Å²	68	151.3 Å²	151.3	70%	0.701	81%	0.806	S	S	*	*			trans	103.4	129.6	141.8	0	0	0	0	0	114.1
127	F	39	Very low	36.8	Very low	212 Å²	212	147.6 Å²	147.6	93%	0.93	80%	0.8	S	S	*	*			cis	-164.3	138.8	18.2	-126.3	-98.9	0	0	0	107.9
128	D	34.1	Very low	36.9	Very low	147 Å²	147	149.9 Å²	149.9	79%	0.786	81%	0.809	S	S	*	*			trans	-62.3	147.6	164.2	-96	-46.1	0	0	0	111.5
129	T	40.4	Very low	37.2	Very low	144 Å²	144	151.8 Å²	151.8	88%	0.883	81%	0.813	S	S	*	*				-173	125.4	127.8	20.3	0	0	0	0	112.1
130	A	36.6	Very low	37.2	Very low	88 Å²	88	151.8 Å²	151.8	73%	0.727	81%	0.813	S	S	*	*			trans	-76.2	145.6	172.8	0	0	0	0	0	112.3
131	Y	42.3	Very low	37.2	Very low	240 Å²	240	153 Å²	153	94%	0.941	82%	0.821	S	S	*	*			trans	-166.9	114.3	147.2	-109.3	-78.1	0	0	0	111.5
132	G	34.1	Very low	37.4	Very low	73 Å²	73	154.7 Å²	154.7	75%	0.753	83%	0.828	S	S	*	*			trans	73.4	127.7	135	0	0	0	0	0	121.9
133	P	39.3	Very low	37.4	Very low	134 Å²	134	156.3 Å²	156.3	87%	0.87	83%	0.83	S	S	*	*			trans	-96.5	152.7	172.2	37	-29.6	0	0	0	113.2
134	A	38.4	Very low	37.4	Very low	102 Å²	102	155.6 Å²	155.6	84%	0.843	83%	0.832	S	S	*	*			trans	-157.9	142.1	160.6	0	0	0	0	0	112.4
135	Y	35.5	Very low	37.1	Very low	231 Å²	231	153.1 Å²	153.1	91%	0.906	83%	0.828	S	S	*	*			trans	-48.4	150.1	176.3	-81.5	-110.9	0	0	0	115.7
136	S	37	Very low	36.8	Very low	97 Å²	97	157 Å²	157	68%	0.678	83%	0.83	S	S	*	*				165.6	144	106.4	65.5	0	0	0	0	113.8
137	Q	35.4	Very low	36.8	Very low	173 Å²	173	160.5 Å²	160.5	81%	0.808	83%	0.832	S	S	*	*			trans	61.5	100.2	146.9	-79.7	175.7	-51.1	0	0	119.4
138	Y	35.8	Very low	36.5	Very low	241 Å²	241	156.6 Å²	156.6	95%	0.945	82%	0.82	S	S	*	*			trans	-146.6	88.3	135	-100.2	-79.5	0	0	0	108.1
139	D	37.1	Very low	36.6	Very low	155 Å²	155	160.6 Å²	160.6	83%	0.829	83%	0.825	S	S	*	*			trans	-125.9	141.9	158.8	-122.5	-21.4	0	0	0	105.3
140	Q	37.1	Very low	36.3	Very low	184 Å²	184	162.1 Å²	162.1	86%	0.86	82%	0.82	S	S	*	*			trans	82.3	96	180	-54	178.9	-20.9	0	0	117
141	M	35	Very low	36.8	Very low	163 Å²	163	163.1 Å²	163.1	80%	0.803	82%	0.819	S	S	*	*			trans	-167.5	142.1	136.6	-101.6	175.8	79.3	0	0	108.6
142	Y	38.9	Very low	36.9	Very low	210 Å²	210	156.8 Å²	156.8	82%	0.824	81%	0.807	S	S	*	*			trans	98	59.5	-177.1	-62.3	-78.5	0	0	0	117.3
143	E	36	Very low	36.9	Very low	190 Å²	190	160.1 Å²	160.1	89%	0.888	81%	0.813	S	S	*	*				-89	157.5	128.6	-79.7	-176.6	151.9	0	0	108.5
144	D	34.7	Very low	36.9	Very low	154 Å²	154	163 Å²	163	82%	0.824	81%	0.812	S	S	*	*			trans	76.9	87.8	179	-79.3	-16.5	0	0	0	118.9
145	S	36.3	Very low	37	Very low	112 Å²	112	162.6 Å²	162.6	78%	0.783	81%	0.809	S	S	*	*			trans	-155.1	97	132.2	62.7	0	0	0	0	110	D147	S145-D147 PolarHBondContact O-N 2.88Å
146	Q	33.6	Very low	36.8	Very low	180 Å²	180	157.1 Å²	157.1	84%	0.841	81%	0.805	S	S	*	*			trans	-65.3	119.2	157.3	-69.6	179	-12.4	0	0	107.9
147	D	35.4	Very low	36.8	Very low	140 Å²	140	162.7 Å²	162.7	75%	0.749	81%	0.812	S	S	*	*			trans	-155.9	92	158.8	-92.8	-35	0	0	0	110.7	S145 Y149	S145-D147 PolarHBondContact O-N 2.88Å; D147-Y149 PolarHBondContact O-N 3.4Å
148	I	32.6	Very low	37	Very low	131 Å²	131	162.3 Å²	162.3	67%	0.672	81%	0.811	S	S	*	*			trans	18.8	101.8	130.5	-51	174.6	0	0	0	115	F150	I148-F150 HydrophobicContact CG2-CD2 3.53Å; I148-F150 HydrophobicContact CG2-CE2 3.32Å; I148-F150 HydrophobicContact CG2-CZ 4.28Å
149	Y	36.9	Very low	37.3	Very low	231 Å²	231	155.7 Å²	155.7	91%	0.906	80%	0.797	S	S	*	*			trans	-122	104.3	158.2	-120.8	-92.7	0	0	0	109.7	D147	D147-Y149 PolarHBondContact O-N 3.4Å
150	F	34.8	Very low	37.6	Very low	175 Å²	175	153.8 Å²	153.8	77%	0.768	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-64.9	135.1	172.2	-76.3	-93	0	0	0	110.8	I148	I148-F150 HydrophobicContact CG2-CD2 3.53Å; I148-F150 HydrophobicContact CG2-CE2 3.32Å; I148-F150 HydrophobicContact CG2-CZ 4.28Å
151	P	46.1	Very low	37.6	Very low	110 Å²	110	156.4 Å²	156.4	71%	0.714	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-80.1	145.7	163.8	32.4	-29.5	0	0	0	109.9	T153	P151-T153 PolarHBondContact O-N 3.19Å
152	P	44.8	Very low	37.8	Very low	106 Å²	106	156 Å²	156	69%	0.688	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-70.1	125.7	175.9	28.5	-30.7	0	0	0	109.9	F154	P152-F154 PolarHBondContact O-N 2.02Å
153	T	35	Very low	37.6	Very low	143 Å²	143	151.2 Å²	151.2	88%	0.877	79%	0.789	S	S	*	*			trans	-55.4	112	165.5	41.6	0	0	0	0	110.3	P151	P151-T153 PolarHBondContact O-N 3.19Å
154	F	37.8	Very low	37.4	Very low	195 Å²	195	151.6 Å²	151.6	86%	0.855	79%	0.791	S	S	*	*			trans	-99.9	133	162.4	-96.9	-87	0	0	0	110.2	P152	P152-F154 PolarHBondContact O-N 2.02Å
155	A	40.3	Very low	37.3	Very low	93 Å²	93	150.5 Å²	150.5	77%	0.769	79%	0.794	S	S	*	*			trans	-57	145	-172.5	0	0	0	0	0	113.3	Y157	A155-Y157 PolarHBondContact O-N 3.37Å
156	S	32.4	Very low	37.2	Very low	117 Å²	117	150.9 Å²	150.9	82%	0.818	80%	0.797	S	S	*	*			trans	-48.6	113.8	174.1	51.3	0	0	0	0	112.8
157	Y	37.3	Very low	37	Very low	213 Å²	213	145.7 Å²	145.7	84%	0.835	79%	0.791	S	S	*	*			trans	-101.1	107.3	159.4	-155.7	-93.1	0	0	0	107.3	A155 P159	A155-Y157 PolarHBondContact O-N 3.37Å; Y157-P159 VanDerWaalsContact O-CD 3.31Å; Y157-P159 WeakPolarHBondContact O-CD 3.45Å
158	E	38.8	Very low	37	Very low	166 Å²	166	145.1 Å²	145.1	78%	0.776	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-75.5	116.1	169.4	-91.2	-174.7	142.4	0	0	108.7
159	P	43.3	Very low	36.8	Very low	102 Å²	102	148.4 Å²	148.4	66%	0.662	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.8	146.5	169.8	29.2	-30.9	0	0	0	110	Y157	Y157-P159 VanDerWaalsContact O-CD 3.31Å; Y157-P159 WeakPolarHBondContact O-CD 3.45Å
160	P	43.4	Very low	36.7	Very low	114 Å²	114	144.6 Å²	144.6	74%	0.74	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-63.2	139.9	-177	25.1	-32.3	0	0	0	111.5	I162	P160-I162 PolarHBondContact O-N 3.36Å
161	R	36.4	Very low	36.2	Very low	239 Å²	239	141.8 Å²	141.8	90%	0.902	80%	0.8	S	S	*	*			trans	-66.7	113.2	177.5	-64.1	-177.2	-170.1	-171.6	3	110
162	I	38.3	Very low	35.4	Very low	156 Å²	156	143 Å²	143	80%	0.8	81%	0.808	S	S	*	*			trans	-83.7	136.2	171.1	-58.5	175.3	0	0	0	108.8	P160	P160-I162 PolarHBondContact O-N 3.36Å
163	P	35.3	Very low	34.5	Very low	109 Å²	109	140.8 Å²	140.8	71%	0.708	80%	0.798	S	S	*	*			trans	-67.7	143.7	-178.2	-12	27.1	0	0	0	112	C165	P163-C165 PolarHBondContact O-N 3.42Å
164	Q	31.1	Very low	34.1	Very low	197 Å²	197	141.1 Å²	141.1	92%	0.921	79%	0.791	S	S	*	*			trans	-64	115.1	174.1	-71.1	175.8	-20	0	0	110.7
165	C	33.5	Very low	33.7	Very low	131 Å²	131	138 Å²	138	89%	0.885	79%	0.793	S	S	*	*			trans	-98.7	105.1	162.5	-72.8	0	0	0	0	108.9	P163	P163-C165 PolarHBondContact O-N 3.42Å
166	S	32.9	Very low	33.1	Very low	121 Å²	121	138.9 Å²	138.9	85%	0.846	79%	0.791	S	S	*	*			trans	-74.3	126.1	166.1	49.8	0	0	0	0	110.6
167	G	29.7	Very low	32.9	Very low	70 Å²	70	139.4 Å²	139.4	72%	0.722	79%	0.79	S	S	*	*			trans	108.9	135.4	158.5	0	0	0	0	0	115.7
168	V	35.2	Very low	32.4	Very low	129 Å²	129	136.2 Å²	136.2	78%	0.782	79%	0.787	S	S	*	*			trans	92.2	102.7	172.1	-159.5	0	0	0	0	115.6	I170	V168-I170 HydrophobicContact CG1-CD1 4.05Å; V168-I170 HydrophobicContact CG1-CG1 3.95Å
169	E	29.5	Very low	31.8	Very low	199 Å²	199	133.6 Å²	133.6	93%	0.93	79%	0.788	S	S	*	*			trans	-67	115.9	165.9	-68.4	172.2	144.7	0	0	110.2
170	I	34.5	Very low	31.2	Very low	152 Å²	152	136.8 Å²	136.8	78%	0.779	80%	0.798	S	S	*	*			trans	-141.7	126.2	164.6	-54.9	-178.8	0	0	0	109.4	V168	V168-I170 HydrophobicContact CG1-CD1 4.05Å; V168-I170 HydrophobicContact CG1-CG1 3.95Å
171	C	25.1	Very low	30.4	Very low	116 Å²	116	140 Å²	140	78%	0.784	80%	0.803	S	S	*	*			trans	-71.8	155.1	179.4	-69.7	0	0	0	0	113.3
172	P	28	Very low	30.2	Very low	136 Å²	136	137.7 Å²	137.7	88%	0.883	80%	0.803	S	S	*	*	S	Bend	trans	-110.8	82.4	159.3	35.4	-21.7	0	0	0	110.2
173	A	25.7	Very low	29.5	Very low	58 Å²	58	134.9 Å²	134.9	48%	0.479	80%	0.797	S	S	.	*			trans	-159.5	56.2	165.7	0	0	0	0	0	110.6
174	M	26.8	Very low	29.1	Very low	150 Å²	150	136.9 Å²	136.9	74%	0.739	80%	0.801	S	S	*	*			trans	-168.6	117.3	166.9	-110.6	176.1	165.5	0	0	108
175	C	29.1	Very low	28.9	Very low	131 Å²	131	133 Å²	133	89%	0.885	79%	0.791	S	S	*	*				-161.7	117.5	126.1	-96.6	0	0	0	0	107.9
176	C	28.1	Very low	28.5	Very low	110 Å²	110	133.6 Å²	133.6	74%	0.743	79%	0.785	S	S	*	*			trans	-46.4	156	159.6	-60.2	0	0	0	0	110.5	D178	C176-D178 PolarHBondContact O-N 2.93Å; C176-D178 VanDerWaalsContact O-N 3.08Å
177	T	27.9	Very low	28.2	Very low	128 Å²	128	133.5 Å²	133.5	79%	0.785	78%	0.784	S	S	*	*	S	Bend	trans	-34.9	112.4	160.7	46.3	0	0	0	0	111.5
178	D	27.7	Very low	27.9	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	78%	0.784	S	S	*	*			trans	-162	122.9	135.1	-92	-31	0	0	0	109.1	C176	C176-D178 PolarHBondContact O-N 2.93Å; C176-D178 VanDerWaalsContact O-N 3.08Å
179	S	26.7	Very low	27.5	Very low	112 Å²	112	139.8 Å²	139.8	78%	0.783	79%	0.791	S	S	*	*			trans	25	102.1	143.5	-42.4	0	0	0	0	116.7
180	L	30.3	Very low	27.2	Very low	169 Å²	169	136 Å²	136	89%	0.885	78%	0.782	S	S	*	*			trans	-156.9	113.8	144.8	-103.8	154.7	0	0	0	109.2
181	E	25.6	Very low	26.7	Very low	182 Å²	182	132 Å²	132	85%	0.85	78%	0.777	S	S	*	*			trans	-49.1	132.6	160.8	-65.3	173.2	131.5	0	0	109.3
182	E	32	Very low	26.6	Very low	190 Å²	190	135.6 Å²	135.6	89%	0.888	78%	0.78	S	S	*	*			trans	-155.2	117	144	-115	170.7	-158.8	0	0	111
183	S	24.8	Very low	26.6	Very low	97 Å²	97	140.1 Å²	140.1	68%	0.678	78%	0.781	S	S	*	*			trans	-58.9	140.1	168.4	51.6	0	0	0	0	112.6
184	L	27.2	Very low	26.7	Very low	151 Å²	151	149 Å²	149	79%	0.791	80%	0.802	S	S	*	*				175.9	108.7	121	-111.8	86.4	0	0	0	108.3
185	V	26.7	Very low	26.6	Very low	116 Å²	116	153.8 Å²	153.8	70%	0.703	81%	0.812	S	S	*	*				86.2	123.1	95	172.7	0	0	0	0	113.8
186	D	24.9	Very low	26.5	Very low	142 Å²	142	153.2 Å²	153.2	76%	0.759	81%	0.809	S	S	*	*			trans	75.3	101.1	161.4	-67.8	-20.3	0	0	0	120.8
187	S	26.8	Very low	26.3	Very low	120 Å²	120	152.9 Å²	152.9	84%	0.839	81%	0.814	S	S	*	*				-168.7	145.4	83.2	66.3	0	0	0	0	111.9
188	T	23.7	Very low	26.2	Very low	118 Å²	118	152 Å²	152	72%	0.724	81%	0.811	S	S	*	*			trans	-80.2	136.1	-166.8	37.2	0	0	0	0	113.2
189	F	25.5	Very low	26	Very low	212 Å²	212	150.1 Å²	150.1	93%	0.93	81%	0.809	S	S	*	*			trans	-150.9	112.5	137.7	-127.5	-90.2	0	0	0	111
190	V	23.2	Very low	26	Very low	121 Å²	121	154.1 Å²	154.1	73%	0.733	81%	0.813	S	S	*	*			trans	-87.1	119.7	-176.2	174	0	0	0	0	109.3
191	G	25.4	Very low	25.7	Very low	66 Å²	66	153.4 Å²	153.4	68%	0.68	81%	0.808	S	S	*	*			trans	-134.4	91.6	169.4	0	0	0	0	0	111.2
192	K	22.9	Very low	25.8	Very low	193 Å²	193	150.3 Å²	150.3	84%	0.839	81%	0.807	S	S	*	*			trans	-68.3	123.8	173.2	-73.7	175.1	175.4	173.2	0	110
193	Y	28.3	Very low	25.5	Very low	231 Å²	231	147 Å²	147	91%	0.906	80%	0.8	S	S	*	*			trans	-127.5	125	159.4	-86.2	-84.1	0	0	0	112.5
194	R	26.6	Very low	25.6	Very low	245 Å²	245	148.6 Å²	148.6	93%	0.925	81%	0.808	S	S	*	*			trans	-68.7	142.9	178	-88.8	178.4	166.8	172.5	-4.4	111
195	R	24.5	Very low	25.7	Very low	250 Å²	250	152.5 Å²	152.5	94%	0.943	81%	0.814	S	S	*	*			trans	-69.2	131.7	168.9	-70.2	178.3	177.6	-178.5	-3.1	111.2
196	S	26.7	Very low	25.8	Very low	118 Å²	118	154 Å²	154	83%	0.825	82%	0.818	S	S	*	*			trans	-158	106.7	149.3	46.3	0	0	0	0	108.8
197	A	24.2	Very low	26	Very low	103 Å²	103	151.6 Å²	151.6	85%	0.851	82%	0.817	S	S	*	*			trans	-103.4	145.1	169.5	0	0	0	0	0	109.2
198	P	25.7	Very low	26.1	Very low	111 Å²	111	153.1 Å²	153.1	72%	0.721	82%	0.816	S	S	*	*			trans	-112.8	129.3	146.1	16	3.3	0	0	0	110.2
199	S	24.3	Very low	26.5	Very low	106 Å²	106	155.7 Å²	155.7	74%	0.741	83%	0.825	S	S	*	*			trans	-56	132.6	171.6	44.4	0	0	0	0	113.7
200	F	27.3	Very low	26.5	Very low	195 Å²	195	150.2 Å²	150.2	86%	0.855	82%	0.819	S	S	*	*			trans	-143.6	149.5	154	-81.1	-74.5	0	0	0	113.2
201	I	23.2	Very low	26.8	Very low	155 Å²	155	152.9 Å²	152.9	80%	0.795	83%	0.829	S	S	*	*			trans	-76.3	132.2	-163.3	-64.9	149.4	0	0	0	111.1
202	S	28.6	Very low	26.7	Very low	116 Å²	116	154.4 Å²	154.4	81%	0.811	83%	0.829	S	S	*	*			trans	-109.8	125	164.2	43.6	0	0	0	0	110.4
203	T	25	Very low	26.9	Very low	121 Å²	121	153 Å²	153	74%	0.742	83%	0.83	S	S	*	*			trans	-82.8	147.1	175.9	41.2	0	0	0	0	110.8
204	P	27.5	Very low	26.6	Very low	131 Å²	131	152.2 Å²	152.2	85%	0.851	83%	0.825	S	S	*	*			trans	-81.6	137.9	-179.5	32.1	-31.2	0	0	0	111
205	Y	28.2	Very low	26.7	Very low	233 Å²	233	146.2 Å²	146.2	91%	0.914	82%	0.815	S	S	*	*			trans	-108.4	133	169.5	-153.9	-93.3	0	0	0	111
206	N	30.1	Very low	26.8	Very low	148 Å²	148	143.2 Å²	143.2	79%	0.791	81%	0.809	S	S	*	*			trans	-61.1	139	-175.6	-91.2	-34.2	0	0	0	113.3
207	A	28.1	Very low	26.8	Very low	90 Å²	90	143.5 Å²	143.5	74%	0.744	81%	0.806	S	S	*	*			trans	-76.3	121.8	163	0	0	0	0	0	109.5
208	D	28.9	Very low	27.1	Very low	152 Å²	152	144.3 Å²	144.3	81%	0.813	80%	0.803	S	S	*	*			trans	-174.4	105.5	151.1	-91.9	-27.9	0	0	0	107.1
209	N	31.2	Very low	27.1	Very low	172 Å²	172	145.7 Å²	145.7	92%	0.92	81%	0.81	S	S	*	*			trans	-176.4	113.4	141.4	-90.6	-26.4	0	0	0	111.2
210	A	26	Very low	27.4	Very low	97 Å²	97	146.4 Å²	146.4	80%	0.802	81%	0.812	S	S	*	*			trans	-70	141.1	170.8	0	0	0	0	0	111.4
211	L	29.3	Very low	27.7	Very low	178 Å²	178	144 Å²	144	93%	0.932	81%	0.813	S	S	*	*			trans	-125.6	111.1	155.2	-91.5	164.8	0	0	0	109.1
212	S	24.9	Very low	27.9	Very low	97 Å²	97	141.9 Å²	141.9	68%	0.678	81%	0.812	S	S	*	*			trans	-63.2	129.2	179.3	55.7	0	0	0	0	112.6
213	L	25.6	Very low	28.1	Very low	165 Å²	165	145.8 Å²	145.8	86%	0.864	82%	0.817	S	S	*	*			trans	-100.6	109.3	156.4	-124.5	121.5	0	0	0	108	V215	L213-V215 PolarHBondContact O-N 2.87Å
214	R	23.5	Very low	28.4	Very low	214 Å²	214	149.7 Å²	149.7	81%	0.808	82%	0.824	S	S	*	*			trans	-77.6	114.3	173.8	-72.4	-176.2	179.1	-178.7	-0.1	109
215	V	28.3	Very low	28.4	Very low	118 Å²	118	149.2 Å²	149.2	72%	0.715	82%	0.821	S	S	*	*			trans	-115.3	118.9	161.9	-178.8	0	0	0	0	107.4	L213 T217	L213-V215 PolarHBondContact O-N 2.87Å; V215-T217 PolarHBondContact O-N 3.16Å
216	F	25.5	Very low	28.5	Very low	187 Å²	187	150.4 Å²	150.4	82%	0.82	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-71.7	119.1	175.9	-76.4	-93.9	0	0	0	109.6
217	T	28.2	Very low	28.5	Very low	124 Å²	124	154.6 Å²	154.6	76%	0.761	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-94.9	133.2	167.5	45	0	0	0	0	110	V215	V215-T217 PolarHBondContact O-N 3.16Å
218	P	28.9	Very low	28.3	Very low	120 Å²	120	156.2 Å²	156.2	78%	0.779	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-76.3	134.8	169.4	29.8	-28.4	0	0	0	109.7
219	T	25.5	Very low	28.2	Very low	141 Å²	141	155.4 Å²	155.4	87%	0.865	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-70.5	129.4	-179.8	-14.3	0	0	0	0	111
220	P	32.6	Very low	28	Very low	121 Å²	121	155.2 Å²	155.2	79%	0.786	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-101.8	127.6	163.2	29.9	-18.6	0	0	0	110.8
221	T	32	Very low	28.1	Very low	144 Å²	144	160.5 Å²	160.5	88%	0.883	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-67.8	144.6	172.4	37.5	0	0	0	0	112.3
222	S	28.4	Very low	28.1	Very low	111 Å²	111	159.4 Å²	159.4	78%	0.776	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-57.5	142.4	-175.5	57.8	0	0	0	0	116.2
223	E	31.3	Very low	28.2	Very low	197 Å²	197	163.7 Å²	163.7	92%	0.921	83%	0.83	S	S	*	*			trans	-159.6	156.6	134.4	-112.3	174.3	-165.8	0	0	112.8
224	K	31.9	Very low	28.5	Very low	203 Å²	203	162.3 Å²	162.3	88%	0.883	83%	0.829	S	S	*	*			trans	-85.8	164.7	-145.6	-76.7	171	177.7	171.9	0	116.9
225	P	27.4	Very low	28.7	Very low	122 Å²	122	158.5 Å²	158.5	79%	0.792	83%	0.828	S	S	*	*			trans	-93.5	157.7	-171.7	37.4	-33.8	0	0	0	114.3
226	R	30.4	Very low	28.6	Very low	258 Å²	258	160 Å²	160	97%	0.974	83%	0.83	S	S	*	*			trans	-132.5	138.3	165	-89.4	-174.2	175.1	173.7	-0.6	113.6
227	R	31	Very low	28.7	Very low	236 Å²	236	157.9 Å²	157.9	89%	0.891	83%	0.827	S	S	*	*			trans	-53.1	139.8	-169.8	-70.8	169	175.4	175.2	-3.1	119.7
228	V	23.5	Very low	28.8	Very low	123 Å²	123	163 Å²	163	75%	0.745	83%	0.832	S	S	*	*				42.6	124.6	118.2	-170.9	0	0	0	0	120.2
229	V	27.5	Very low	28.7	Very low	136 Å²	136	164.7 Å²	164.7	82%	0.824	83%	0.834	S	S	*	*			trans	-141.2	137	133.7	-178.3	0	0	0	0	109.1
230	Q	25.9	Very low	28.7	Very low	167 Å²	167	162.7 Å²	162.7	78%	0.78	83%	0.826	S	S	*	*			trans	-105.5	145.2	-171.7	-157.3	177.9	-2.6	0	0	109.2
231	F	27.6	Very low	28.7	Very low	208 Å²	208	163.6 Å²	163.6	91%	0.912	82%	0.824	S	S	*	*			trans	-145.8	156.7	159.7	-97.8	-76.6	0	0	0	111.6
232	D	30.2	Very low	28.7	Very low	156 Å²	156	164.9 Å²	164.9	83%	0.834	82%	0.824	S	S	*	*			trans	-100.5	163.9	-137.7	-145.1	-16.2	0	0	0	115.4
233	K	26.3	Very low	28.7	Very low	186 Å²	186	167.1 Å²	167.1	81%	0.809	83%	0.828	S	S	*	*			trans	-84.7	137.5	179.2	-77	176.1	171.7	-179.2	0	112.6
234	T	32.5	Very low	28.7	Very low	137 Å²	137	166.4 Å²	166.4	84%	0.84	82%	0.824	S	S	*	*			trans	-174.6	123.4	145.3	42	0	0	0	0	105
235	V	28.2	Very low	28.8	Very low	133 Å²	133	162.3 Å²	162.3	81%	0.806	82%	0.816	S	S	*	*				-164.5	116.4	64.4	169.5	0	0	0	0	107.2
236	M	25.1	Very low	28.8	Very low	150 Å²	150	161.2 Å²	161.2	74%	0.739	81%	0.811	S	S	*	*			trans	-103.1	122.2	156.4	-99.5	-79.3	-105.7	0	0	104.9
237	D	28	Very low	28.9	Very low	142 Å²	142	155.5 Å²	155.5	76%	0.759	80%	0.8	S	S	*	*			trans	167.8	106.7	153	-90.4	-18.1	0	0	0	107.5
238	R	29.7	Very low	28.9	Very low	232 Å²	232	151.4 Å²	151.4	88%	0.875	79%	0.791	S	S	*	*				164.9	126	127.7	-90.6	167.2	-175.3	-150.5	-1.1	111.9
239	L	28.1	Very low	29.3	Very low	156 Å²	156	151.1 Å²	151.1	82%	0.817	79%	0.785	S	S	*	*			trans	95.2	72.4	149.9	-58.2	155	0	0	0	116.5
240	S	26	Very low	29.5	Very low	99 Å²	99	149.9 Å²	149.9	69%	0.692	78%	0.778	S	S	*	*				-50.3	126.9	118.6	44.1	0	0	0	0	110.3
241	D	31.6	Very low	29.8	Very low	140 Å²	140	150.7 Å²	150.7	75%	0.749	78%	0.779	S	S	*	*			trans	162.4	141.6	136.4	-76	-20.5	0	0	0	109.5
242	L	32.8	Very low	30.1	Very low	170 Å²	170	146 Å²	146	89%	0.89	77%	0.772	S	S	*	*			trans	98.1	83	158.5	-48.3	-179.1	0	0	0	117.9
243	D	28	Very low	30.1	Very low	158 Å²	158	142.9 Å²	142.9	85%	0.845	77%	0.768	S	S	*	*			trans	-52	159.3	133.1	-77.9	-48.4	0	0	0	112.5
244	E	31.6	Very low	30.5	Very low	182 Å²	182	139.9 Å²	139.9	85%	0.85	77%	0.771	S	S	*	*			trans	87.9	111.1	156.9	-74.3	-168.6	157.4	0	0	121.3
245	V	32.7	Very low	30.3	Very low	118 Å²	118	139.7 Å²	139.7	72%	0.715	77%	0.769	S	S	*	*				86.3	100.6	124.2	-179.7	0	0	0	0	119.2
246	S	29	Very low	30.6	Very low	99 Å²	99	139.2 Å²	139.2	69%	0.692	77%	0.771	S	S	*	*			trans	71.7	139.8	133.5	78.2	0	0	0	0	122.8
247	N	31.9	Very low	30.7	Very low	137 Å²	137	141.6 Å²	141.6	73%	0.733	78%	0.778	S	S	*	*			trans	83.7	105.2	146.1	-81.6	4.5	0	0	0	121.1
248	E	30.9	Very low	30.9	Very low	151 Å²	151	139.7 Å²	139.7	71%	0.706	78%	0.781	S	S	*	*				74.3	133.2	119.8	-80.6	-164.7	-179.5	0	0	120.9
249	N	31.8	Very low	30.8	Very low	116 Å²	116	134.7 Å²	134.7	62%	0.62	78%	0.782	S	S	*	*			trans	93.3	94.6	143.7	-68.1	-27.9	0	0	0	119.1
250	T	31.7	Very low	30.8	Very low	110 Å²	110	130.9 Å²	130.9	68%	0.675	78%	0.781	S	S	*	*				79.6	122.8	118.1	51.2	0	0	0	0	120.1
251	K	32.2	Very low	30.6	Very low	185 Å²	185	132.7 Å²	132.7	80%	0.804	79%	0.792	S	S	*	*				106.2	129.3	124.1	-86.5	169.8	-178.1	176.6	0	118.2
252	S	33.5	Very low	30.6	Very low	108 Å²	108	134 Å²	134	76%	0.755	80%	0.797	S	S	*	*			trans	83.6	99.5	142.7	38.1	0	0	0	0	119.7
253	A	31.1	Very low	30.2	Very low	92 Å²	92	132.9 Å²	132.9	76%	0.76	79%	0.792	S	S	*	*				63.6	119.6	111.1	0	0	0	0	0	118.6
254	S	33.5	Very low	30.3	Very low	123 Å²	123	133.3 Å²	133.3	86%	0.86	79%	0.789	S	S	*	*				178.6	142.6	92.4	42.3	0	0	0	0	112.3
255	V	28.4	Very low	30	Very low	133 Å²	133	133.5 Å²	133.5	81%	0.806	79%	0.787	S	S	*	*			trans	-79.3	141	-178.9	168.4	0	0	0	0	110.3
256	S	34.4	Very low	29.7	Very low	122 Å²	122	132.7 Å²	132.7	85%	0.853	79%	0.787	S	S	*	*			trans	-154.9	123.1	139.1	50.1	0	0	0	0	112.5
257	K	27.9	Very low	29.6	Very low	200 Å²	200	138.8 Å²	138.8	87%	0.87	79%	0.794	S	S	*	*			trans	-68.6	145	170.1	-74.6	168.9	169.4	171.5	0	110.5
258	A	31.6	Very low	29.2	Very low	102 Å²	102	138.3 Å²	138.3	84%	0.843	80%	0.8	S	S	*	*			trans	-159.2	124.2	141.3	0	0	0	0	0	111.3
259	S	28.3	Very low	29.1	Very low	127 Å²	127	136.3 Å²	136.3	89%	0.888	80%	0.8	S	S	*	*			trans	-70.4	150.8	174.7	58.2	0	0	0	0	113.3
260	G	27	Very low	28.8	Very low	76 Å²	76	136.7 Å²	136.7	78%	0.784	81%	0.812	S	S	*	*			trans	-169.7	96.1	161.4	0	0	0	0	0	111.8
261	C	23.1	Very low	28.7	Very low	137 Å²	137	136.3 Å²	136.3	93%	0.926	81%	0.81	S	S	*	*			trans	-68.7	127.3	165.3	-70.6	0	0	0	0	109.6
262	I	30.8	Very low	28.4	Very low	169 Å²	169	133.2 Å²	133.2	87%	0.867	81%	0.812	S	S	*	*			trans	-144	127.5	150.9	-61.4	-173.3	0	0	0	109
263	D	25.1	Very low	28.2	Very low	145 Å²	145	134.3 Å²	134.3	78%	0.775	81%	0.808	S	S	*	*			trans	-51.8	163.2	172.6	-77.1	-56.1	0	0	0	115.1
264	Q	29.2	Very low	28	Very low	168 Å²	168	136.4 Å²	136.4	79%	0.785	81%	0.811	S	S	*	*			trans	125	113.2	136.8	-64.7	-171.2	7.6	0	0	115.3
265	K	26.1	Very low	27.8	Very low	186 Å²	186	136.8 Å²	136.8	81%	0.809	80%	0.8	S	S	*	*			trans	50.9	115.2	130.2	-73.9	176.9	174.9	173.2	0	117.4
266	S	26.2	Very low	27.8	Very low	101 Å²	101	136.2 Å²	136.2	71%	0.706	79%	0.793	S	S	*	*				101.3	143.2	120.9	82.5	0	0	0	0	118.6
267	R	27.4	Very low	27.5	Very low	226 Å²	226	135.2 Å²	135.2	85%	0.853	79%	0.792	S	S	*	*			trans	91.4	99.3	152.8	-66.1	174.2	-175.2	-164.2	0.3	117	P269	R267-P269 WeakPolarHBondContact O-CD 3.26Å
268	C	22.9	Very low	28.2	Very low	128 Å²	128	131.8 Å²	131.8	87%	0.865	78%	0.783	S	S	*	*			trans	-47.5	136.6	145.8	-58.4	0	0	0	0	110.8
269	P	29.6	Very low	29.5	Very low	108 Å²	108	133.5 Å²	133.5	70%	0.701	78%	0.778	S	S	*	*			trans	-112.1	109.7	153.5	18	1.7	0	0	0	109.1	R267 T271	R267-P269 WeakPolarHBondContact O-CD 3.26Å; P269-T271 PolarHBondContact O-N 3.41Å
270	S	25.4	Very low	31.5	Very low	124 Å²	124	130 Å²	130	87%	0.867	75%	0.75	S	S	*	*			trans	-64.2	105.8	157.9	23.4	0	0	0	0	108.3
271	T	28.4	Very low	34	Very low	103 Å²	103	128.9 Å²	128.9	63%	0.632	73%	0.729	S	S	*	*			trans	-144.4	121.7	169.5	5.1	0	0	0	0	108.4	P269 I273	P269-T271 PolarHBondContact O-N 3.41Å; T271-I273 PolarHBondContact O-N 3.49Å
272	S	25.7	Very low	36.8	Very low	120 Å²	120	123.9 Å²	123.9	84%	0.839	69%	0.693	S	S	*	*			trans	-56.6	103.7	173.6	52.5	0	0	0	0	110.2
273	I	30.3	Very low	39.2	Very low	131 Å²	131	124.2 Å²	124.2	67%	0.672	69%	0.688	S	S	*	*			trans	-94.1	108.7	171.2	-57.4	178.6	0	0	0	107.2	T271 M275	T271-I273 PolarHBondContact O-N 3.49Å; I273-M275 HydrophobicContact CB-CG 4.21Å; I273-M275 HydrophobicContact CG2-CG 3.48Å; I273-M275 VanDerWaalsContact CG2-CG 3.48Å; I273-M275 PolarHBondContact O-N 3.33Å
274	V	26.6	Very low	42	Very low	136 Å²	136	119.7 Å²	119.7	82%	0.824	66%	0.664	S	S	*	*			trans	-60.2	107.4	156.4	175.6	0	0	0	0	105.7
275	M	30.1	Very low	44.4	Very low	131 Å²	131	117.4 Å²	117.4	65%	0.645	66%	0.663	S	S	*	*			trans	-101.2	125.1	176.8	-70.6	-170.4	74.6	0	0	110.2	I273	I273-M275 HydrophobicContact CB-CG 4.21Å; I273-M275 HydrophobicContact CG2-CG 3.48Å; I273-M275 VanDerWaalsContact CG2-CG 3.48Å; I273-M275 PolarHBondContact O-N 3.33Å
276	D	28.1	Very low	47.2	Very low	120 Å²	120	111 Å²	111	64%	0.642	64%	0.643	S	S	*	*			trans	-55.1	159.7	176.2	-80.1	-50.8	0	0	0	114.3	N278	D276-N278 PolarHBondContact O-N 2.85Å
277	A	28.3	Very low	50.1	Low	102 Å²	102	111.8 Å²	111.8	84%	0.843	64%	0.635	S	S	*	*			trans	-57.5	114.6	-176.1	0	0	0	0	0	113.1
278	N	42.4	Very low	52.9	Low	127 Å²	127	102.4 Å²	102.4	68%	0.679	60%	0.601	S	S	*	*			trans	-122.6	139	156.8	-106.1	-7.7	0	0	0	106.9	D276 D280	D276-N278 PolarHBondContact O-N 2.85Å; N278-D280 PolarHBondContact O-N 3.41Å
279	D	58.7	Low	55.8	Low	138 Å²	138	99.3 Å²	99.3	74%	0.738	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.5	0.7	-156.4	-146.7	13.4	0	0	0	118.4	C281 N282	D279-C281 VanDerWaalsContact C-N 3.34Å; D279-C281 PolarHBondContact O-N 2.87Å; D279-N282 PolarHBondContact O-ND2 3Å
280	D	70.9	Confident	58.4	Low	55 Å²	55	101.6 Å²	101.6	29%	0.294	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.4	-12.3	-173.5	-57.7	-20.6	0	0	0	113.5	N278 F343 N371 S372	N278-D280 PolarHBondContact O-N 3.41Å; D280-F343 HydrophobicContact CB-CZ 3.75Å; D280-N371 WeakPolarHBondContact O-CA 3.21Å; D280-S372 PolarHBondContact O-N 3.01Å
281	C	78.1	Confident	61.2	Low	51 Å²	51	96.7 Å²	96.7	35%	0.345	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	101.9	-179.4	179.5	0	0	0	0	110.9	D279 F343 S372	D279-C281 VanDerWaalsContact C-N 3.34Å; D279-C281 PolarHBondContact O-N 2.87Å; C281-F343 HydrophobicContact CB-CE1 4.25Å; C281-S372 CarbonylContact C-O 3.57Å; C281-S372 WeakPolarHBondContact CA-O 2.93Å
282	N	82.5	Confident	63.9	Low	33 Å²	33	96.7 Å²	96.7	18%	0.176	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	113.1	-174.9	-70.3	-81.2	0	0	0	110.6	D279 S372 Y373 K374	D279-N282 PolarHBondContact O-ND2 3Å; N282-S372 PolarHBondContact N-O 3.38Å; N282-Y373 HydrophobicContact CB-CD1 3.56Å; N282-Y373 HydrophobicContact CB-CE1 3.91Å; N282-Y373 HydrophobicContact CB-CG 4.37Å; N282-Y373 CarbonylContact O-C 3.53Å; N282-Y373 WeakPolarHBondContact O-CA 3.31Å; N282-K374 PolarHBondContact O-N 3.4Å
283	K	81.7	Confident	66.8	Low	175 Å²	175	96.5 Å²	96.5	76%	0.761	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.2	173.3	-68.5	-178.6	-178.3	175.9	0	109.7	K374	K283-K374 HydrophobicContact CG-CB 4.45Å
284	L	83.5	Confident	69.3	Low	50 Å²	50	92.7 Å²	92.7	26%	0.262	52%	0.516	S	S	.	.			trans	-112.3	127.5	-179.6	-67	170.2	0	0	0	109.8	S286 Y373 K374 F375	L284-S286 PolarHBondContact O-N 3.36Å; L284-Y373 HydrophobicContact CD1-CD1 4.14Å; L284-K374 PolarHBondContact N-O 2.93Å; L284-F375 HydrophobicContact CB-CD1 4.13Å; L284-F375 HydrophobicContact CB-CE1 4.18Å; L284-F375 HydrophobicContact CD1-CD1 4.16Å; L284-F375 HydrophobicContact CD1-CE1 3.45Å; L284-F375 VanDerWaalsContact CD1-CE1 3.45Å; L284-F375 HydrophobicContact CD1-CE2 4.04Å; L284-F375 HydrophobicContact CD1-CZ 3.38Å; L284-F375 HydrophobicContact CG-CE1 4.46Å
285	P	80.3	Confident	72.4	Confident	120 Å²	120	89.1 Å²	89.1	78%	0.779	49%	0.493	S	S	*	.	S	Bend	trans	-77.3	21.2	-177	33.7	-36.8	0	0	0	113.2
286	S	85.1	Confident	75.2	Confident	53 Å²	53	86.7 Å²	86.7	37%	0.371	49%	0.485	S	S	.	.	S	Bend	trans	-122.8	161.4	-176.1	65.9	0	0	0	0	111.3	L284 F375 L376	L284-S286 PolarHBondContact O-N 3.36Å; S286-F375 WeakPolarHBondContact O-CB 3.04Å; S286-F375 WeakPolarHBondContact O-CD1 3.23Å; S286-L376 PolarHBondContact O-N 2.84Å
287	H	86.1	Confident	78.1	Confident	117 Å²	117	81.2 Å²	81.2	54%	0.542	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-67.7	154.4	160.9	-70.7	-81.9	0	0	0	110.2	P289 D377	H287-P289 WeakPolarHBondContact O-CD 3.42Å; H287-D377 IonicContact CG-OD2 3.41Å; H287-D377 IonicContact ND1-OD2 3.02Å; H287-D377 PolarHBondContact ND1-OD2 3.03Å
288	L	85.5	Confident	81	Confident	29 Å²	29	81.5 Å²	81.5	15%	0.152	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-62.9	127.3	173.6	-179.4	70.6	0	0	0	109.5	M291 I297 V335 F375 D377 C378 L380	L288-M291 HydrophobicContact CD2-CG 4Å; L288-M291 HydrophobicContact CG-CG 4.42Å; L288-I297 HydrophobicContact CD1-CD1 4.01Å; L288-V335 HydrophobicContact CD2-CG1 4.05Å; L288-V335 HydrophobicContact CD2-CG2 3.75Å; L288-F375 HydrophobicContact CB-CB 4.29Å; L288-F375 HydrophobicContact CB-CD1 4.12Å; L288-F375 HydrophobicContact CB-CD2 4.15Å; L288-F375 HydrophobicContact CB-CG 3.92Å; L288-F375 HydrophobicContact CD1-CD1 4.34Å; L288-F375 HydrophobicContact CD1-CD2 3.73Å; L288-F375 HydrophobicContact CD1-CE1 3.98Å; L288-F375 HydrophobicContact CD1-CE2 3.33Å; L288-F375 HydrophobicContact CD1-CG 4.22Å; L288-F375 HydrophobicContact CD1-CZ 3.46Å; L288-F375 VanDerWaalsContact CD1-CZ 3.46Å; L288-F375 HydrophobicContact CG-CD2 4.5Å; L288-D377 PolarHBondContact N-OD1 3.04Å; L288-C378 VanDerWaalsContact CB-SG 3.54Å; L288-L380 HydrophobicContact CD1-CD2 4.31Å
289	P	84	Confident	83.1	Confident	63 Å²	63	75.5 Å²	75.5	41%	0.409	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-58.2	150.6	171.9	-23.7	34.7	0	0	0	111.2	H287 M291 I297	H287-P289 WeakPolarHBondContact O-CD 3.42Å; P289-M291 PolarHBondContact O-N 2.98Å; P289-M291 VanDerWaalsContact O-N 3.09Å; P289-I297 HydrophobicContact CG-CD1 4.49Å; P289-I297 HydrophobicContact CG-CG1 4.4Å
290	K	84.1	Confident	84.3	Confident	156 Å²	156	71.3 Å²	71.3	68%	0.678	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-58	119.1	177.8	-69.8	-172.1	177.6	-174	0	111.2	E292 N295	K290-E292 HydrophobicContact CB-CG 4.3Å; K290-E292 PolarHBondContact O-N 3.39Å; K290-N295 PolarHBondContact O-ND2 3.32Å
291	M	85.2	Confident	84.9	Confident	21 Å²	21	76.2 Å²	76.2	10%	0.103	42%	0.415	C	S	.	.			trans	-80.6	66	178.6	-63.6	-69.6	-74.2	0	0	110.9	L288 P289 I297 V306 Y319 L321 A333 L380	L288-M291 HydrophobicContact CD2-CG 4Å; L288-M291 HydrophobicContact CG-CG 4.42Å; P289-M291 PolarHBondContact O-N 2.98Å; P289-M291 VanDerWaalsContact O-N 3.09Å; M291-I297 HydrophobicContact SD-CD1 3.86Å; M291-V306 HydrophobicContact CE-CG2 4.38Å; M291-V306 HydrophobicContact SD-CG2 4.32Å; M291-Y319 HydrophobicContact CB-CD1 4.19Å; M291-Y319 HydrophobicContact CB-CD2 4.25Å; M291-Y319 HydrophobicContact CB-CE1 3.67Å; M291-Y319 HydrophobicContact CB-CE2 3.76Å; M291-Y319 HydrophobicContact CB-CG 4.44Å; M291-Y319 VanDerWaalsContact CB-CZ 3.44Å; M291-Y319 HydrophobicContact CE-CD1 4.23Å; M291-Y319 HydrophobicContact CE-CD2 3.45Å; M291-Y319 VanDerWaalsContact CE-CD2 3.45Å; M291-Y319 HydrophobicContact CE-CE2 4.09Å; M291-Y319 HydrophobicContact CE-CG 3.53Å; M291-Y319 HydrophobicContact CG-CD2 4.46Å; M291-Y319 HydrophobicContact CG-CE2 4.17Å; M291-Y319 WeakPolarHBondContact O-CE1 3.37Å; M291-L321 HydrophobicContact CE-CD2 4.05Å; M291-A333 HydrophobicContact CE-CB 4.47Å; M291-L380 HydrophobicContact CE-CD1 4.36Å
292	E	84.6	Confident	85.3	Confident	103 Å²	103	76.1 Å²	76.1	48%	0.481	41%	0.413	S	S	.	.			trans	-101.5	146.5	175.5	-60.6	168.5	178.1	0	0	110.2	K290 G294 N295 V306	K290-E292 HydrophobicContact CB-CG 4.3Å; K290-E292 PolarHBondContact O-N 3.39Å; E292-G294 PolarHBondContact O-N 3.07Å; E292-N295 VanDerWaalsContact O-CB 3.26Å; E292-N295 WeakPolarHBondContact O-CB 3.3Å; E292-N295 PolarHBondContact O-N 3.15Å; E292-V306 WeakPolarHBondContact O-CB 3.38Å
293	I	85.9	Confident	85.7	Confident	115 Å²	115	79.9 Å²	79.9	59%	0.59	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	132.6	179	-64.1	172.2	0	0	0	109.8	N295 V306 Q307	I293-N295 VanDerWaalsContact C-N 3.34Å; I293-V306 CarbonylContact C-O 3.58Å; I293-V306 WeakPolarHBondContact CA-O 3.45Å; I293-Q307 WeakPolarHBondContact CG2-O 3.44Å
294	G	84.2	Confident	86.2	Confident	51 Å²	51	73 Å²	73	53%	0.526	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-19.8	-175.6	0	0	0	0	0	113.7	E292 V306	E292-G294 PolarHBondContact O-N 3.07Å; G294-V306 PolarHBondContact N-O 3.32Å
295	N	90.2	Very high	86.5	Confident	62 Å²	62	71.6 Å²	71.6	33%	0.332	39%	0.392	S	S	.	.			trans	-66.4	152.7	176.4	-71.2	-4.8	0	0	0	111.1	K290 E292 I293 S305 V306	K290-N295 PolarHBondContact O-ND2 3.32Å; E292-N295 VanDerWaalsContact O-CB 3.26Å; E292-N295 WeakPolarHBondContact O-CB 3.3Å; E292-N295 PolarHBondContact O-N 3.15Å; I293-N295 VanDerWaalsContact C-N 3.34Å; N295-S305 WeakPolarHBondContact O-CA 3.28Å; N295-V306 PolarHBondContact O-N 3.09Å
296	V	89.7	Confident	87	Confident	79 Å²	79	66 Å²	66	48%	0.479	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	124.8	174.2	177.2	0	0	0	0	108.6	K303 Y304 L324	V296-K303 HydrophobicContact CG1-CB 4.09Å; V296-Y304 CarbonylContact C-O 3.47Å; V296-Y304 VanDerWaalsContact CA-O 3.23Å; V296-Y304 WeakPolarHBondContact CA-O 3.44Å; V296-L324 HydrophobicContact CG1-CD1 3.73Å; V296-L324 HydrophobicContact CG2-CD1 4.08Å
297	I	90	Very high	87	Confident	5 Å²	5	68 Å²	68	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.8	172.4	-171.9	167.1	0	0	0	109.1	L288 P289 M291 L299 K303 Y304 V306 L321 L380	L288-I297 HydrophobicContact CD1-CD1 4.01Å; P289-I297 HydrophobicContact CG-CD1 4.49Å; P289-I297 HydrophobicContact CG-CG1 4.4Å; M291-I297 HydrophobicContact SD-CD1 3.86Å; I297-L299 HydrophobicContact CD1-CD2 3.82Å; I297-L299 HydrophobicContact CD1-CG 4.36Å; I297-L299 HydrophobicContact CG1-CD2 3.98Å; I297-L299 HydrophobicContact CG1-CG 4.2Å; I297-L299 HydrophobicContact CG2-CG 4.48Å; I297-K303 WeakPolarHBondContact O-CA 3.44Å; I297-Y304 PolarHBondContact N-O 3.22Å; I297-Y304 PolarHBondContact O-N 2.9Å; I297-V306 HydrophobicContact CG2-CG2 4.4Å; I297-L321 HydrophobicContact CG2-CD1 4.11Å; I297-L321 HydrophobicContact CG2-CD2 4.46Å; I297-L380 HydrophobicContact CD1-CD2 4.29Å
298	Q	89.2	Confident	86.8	Confident	109 Å²	109	67 Å²	67	51%	0.509	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.7	171	-176.3	168.5	-19.9	0	0	108.6	S300 V302 K303	Q298-S300 PolarHBondContact NE2-O 2.94Å; Q298-V302 WeakPolarHBondContact CA-O 3.1Å; Q298-K303 HydrophobicContact CB-CG 4.24Å; Q298-K303 HydrophobicContact CG-CG 4.17Å
299	L	86.9	Confident	86.6	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117	175.2	-61.5	178.6	0	0	0	107.2	I297 N301 V302 Y304 L321 Y373 F375 L380 T382	I297-L299 HydrophobicContact CD1-CD2 3.82Å; I297-L299 HydrophobicContact CD1-CG 4.36Å; I297-L299 HydrophobicContact CG1-CD2 3.98Å; I297-L299 HydrophobicContact CG1-CG 4.2Å; I297-L299 HydrophobicContact CG2-CG 4.48Å; L299-N301 PolarHBondContact O-N 3.42Å; L299-V302 PolarHBondContact N-O 3.09Å; L299-V302 PolarHBondContact O-N 3.04Å; L299-V302 VanDerWaalsContact O-O 3.11Å; L299-Y304 HydrophobicContact CB-CD2 4.17Å; L299-Y304 HydrophobicContact CB-CE2 4.03Å; L299-Y304 HydrophobicContact CD1-CD2 4.17Å; L299-Y304 HydrophobicContact CD1-CE2 4.33Å; L299-Y304 HydrophobicContact CG-CD2 4.28Å; L299-L321 HydrophobicContact CD1-CD1 3.91Å; L299-Y373 HydrophobicContact CB-CD1 4.46Å; L299-Y373 HydrophobicContact CB-CE1 3.85Å; L299-Y373 HydrophobicContact CB-CE2 4.35Å; L299-Y373 HydrophobicContact CD1-CE2 4.25Å; L299-Y373 HydrophobicContact CD2-CD1 4.14Å; L299-Y373 HydrophobicContact CD2-CD2 4.35Å; L299-Y373 HydrophobicContact CD2-CE1 4.36Å; L299-Y373 HydrophobicContact CD2-CG 4.13Å; L299-F375 HydrophobicContact CD2-CZ 4.31Å; L299-L380 HydrophobicContact CD1-CD2 3.91Å; L299-L380 HydrophobicContact CD2-CD2 3.82Å; L299-T382 HydrophobicContact CD1-CG2 4.23Å
300	S	83	Confident	86.3	Confident	50 Å²	50	66.3 Å²	66.3	35%	0.35	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	-119.6	-168.1	-57.1	0	0	0	0	111.3	Q298 Y373	Q298-S300 PolarHBondContact NE2-O 2.94Å; S300-Y373 WeakPolarHBondContact OG-CE1 3.48Å
301	N	83.2	Confident	85.5	Confident	157 Å²	157	63.5 Å²	63.5	84%	0.84	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	2.6	-177.9	-65.2	-25	0	0	0	113.7	L299	L299-N301 PolarHBondContact O-N 3.42Å
302	V	86.9	Confident	84.4	Confident	50 Å²	50	64.4 Å²	64.4	30%	0.303	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.1	-174.3	-173.6	0	0	0	0	110.7	Q298 L299 Y304 P323	Q298-V302 WeakPolarHBondContact CA-O 3.1Å; L299-V302 PolarHBondContact N-O 3.09Å; L299-V302 PolarHBondContact O-N 3.04Å; L299-V302 VanDerWaalsContact O-O 3.11Å; V302-Y304 HydrophobicContact CB-CD2 4.36Å; V302-Y304 HydrophobicContact CB-CE2 3.58Å; V302-Y304 HydrophobicContact CG1-CD2 4.1Å; V302-Y304 HydrophobicContact CG1-CE1 4.05Å; V302-Y304 HydrophobicContact CG1-CE2 3.51Å; V302-Y304 VanDerWaalsContact CG1-CZ 3.47Å; V302-P323 HydrophobicContact CG1-CB 4Å
303	K	90.2	Very high	83.5	Confident	112 Å²	112	61 Å²	61	49%	0.487	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.7	173.5	-65.9	-178.3	-179.1	178.1	0	109.7	V296 I297 Q298 P323 L324	V296-K303 HydrophobicContact CG1-CB 4.09Å; I297-K303 WeakPolarHBondContact O-CA 3.44Å; Q298-K303 HydrophobicContact CB-CG 4.24Å; Q298-K303 HydrophobicContact CG-CG 4.17Å; K303-P323 WeakPolarHBondContact O-CA 3.31Å; K303-L324 HydrophobicContact CB-CD1 3.75Å; K303-L324 HydrophobicContact CB-CG 4.24Å; K303-L324 PolarHBondContact O-N 2.97Å
304	Y	91.9	Very high	82.4	Confident	30 Å²	30	56.1 Å²	56.1	12%	0.118	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	141.8	179	-63.6	-90.1	0	0	0	111.1	V296 I297 L299 V302 L321 Y322 P323 I331	V296-Y304 CarbonylContact C-O 3.47Å; V296-Y304 VanDerWaalsContact CA-O 3.23Å; V296-Y304 WeakPolarHBondContact CA-O 3.44Å; I297-Y304 PolarHBondContact N-O 3.22Å; I297-Y304 PolarHBondContact O-N 2.9Å; L299-Y304 HydrophobicContact CB-CD2 4.17Å; L299-Y304 HydrophobicContact CB-CE2 4.03Å; L299-Y304 HydrophobicContact CD1-CD2 4.17Å; L299-Y304 HydrophobicContact CD1-CE2 4.33Å; L299-Y304 HydrophobicContact CG-CD2 4.28Å; V302-Y304 HydrophobicContact CB-CD2 4.36Å; V302-Y304 HydrophobicContact CB-CE2 3.58Å; V302-Y304 HydrophobicContact CG1-CD2 4.1Å; V302-Y304 HydrophobicContact CG1-CE1 4.05Å; V302-Y304 HydrophobicContact CG1-CE2 3.51Å; V302-Y304 VanDerWaalsContact CG1-CZ 3.47Å; Y304-L321 HydrophobicContact CD1-CB 3.95Å; Y304-L321 HydrophobicContact CG-CB 4.12Å; Y304-Y322 CarbonylContact C-O 3.56Å; Y304-Y322 VanDerWaalsContact CA-O 3.31Å; Y304-Y322 WeakPolarHBondContact CA-O 3.41Å; Y304-P323 HydrophobicContact CD1-CB 3.98Å; Y304-P323 HydrophobicContact CE1-CB 3.82Å; Y304-P323 HydrophobicContact CE1-CG 4.3Å; Y304-I331 HydrophobicContact CD1-CD1 4.17Å; Y304-I331 HydrophobicContact CD1-CG1 4.26Å; Y304-I331 HydrophobicContact CE1-CD1 3.66Å; Y304-I331 HydrophobicContact CE1-CG1 3.94Å; Y304-I331 HydrophobicContact CE2-CD1 4.12Å
305	S	90.7	Very high	81.8	Confident	21 Å²	21	54.2 Å²	54.2	15%	0.147	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.6	164.5	-179.4	0	0	0	0	109.6	N295 Q307 Y322	N295-S305 WeakPolarHBondContact O-CA 3.28Å; S305-Q307 PolarHBondContact O-N 2.99Å; S305-Y322 PolarHBondContact N-O 3.07Å; S305-Y322 PolarHBondContact O-N 3.35Å
306	V	90.8	Very high	80.9	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.006	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	111.1	170.4	-175.8	0	0	0	0	107.4	M291 E292 I293 G294 N295 I297 Y319 L321	M291-V306 HydrophobicContact CE-CG2 4.38Å; M291-V306 HydrophobicContact SD-CG2 4.32Å; E292-V306 WeakPolarHBondContact O-CB 3.38Å; I293-V306 CarbonylContact C-O 3.58Å; I293-V306 WeakPolarHBondContact CA-O 3.45Å; G294-V306 PolarHBondContact N-O 3.32Å; N295-V306 PolarHBondContact O-N 3.09Å; I297-V306 HydrophobicContact CG2-CG2 4.4Å; V306-Y319 HydrophobicContact CG1-CD1 3.77Å; V306-Y319 HydrophobicContact CG1-CG 4.41Å; V306-L321 HydrophobicContact CB-CD2 4.12Å; V306-L321 HydrophobicContact CG1-CD2 4.27Å; V306-L321 HydrophobicContact CG2-CD2 3.7Å
307	Q	84.9	Confident	80.3	Confident	95 Å²	95	54.2 Å²	54.2	44%	0.444	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-30.9	-174.8	-68.4	-164.9	5.8	0	0	113.9	I293 S305 A320 Y322	I293-Q307 WeakPolarHBondContact CG2-O 3.44Å; S305-Q307 PolarHBondContact O-N 2.99Å; Q307-A320 PolarHBondContact N-O 3.41Å; Q307-Y322 HydrophobicContact CB-CD2 3.69Å; Q307-Y322 HydrophobicContact CB-CE2 3.9Å; Q307-Y322 VanDerWaalsContact CD-CG 3.43Å; Q307-Y322 HydrophobicContact CG-CD2 3.51Å; Q307-Y322 HydrophobicContact CG-CE2 4.16Å; Q307-Y322 HydrophobicContact CG-CG 4.1Å; Q307-Y322 VanDerWaalsContact NE2-CB 3.35Å; Q307-Y322 VanDerWaalsContact OE1-CD2 3.26Å
308	R	82.7	Confident	80	Confident	96 Å²	96	54 Å²	54	36%	0.362	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	136.4	-171.8	-175.3	174.2	-176.3	170.8	8.1	111.1	F63 L310 Y319 A320	F63-R308 VanDerWaalsContact CE1-NH2 3.32Å; R308-L310 HydrophobicContact CG-CD2 4.23Å; R308-Y319 CarbonylContact O-C 3.42Å; R308-Y319 WeakPolarHBondContact O-CA 3.05Å; R308-A320 HydrophobicContact CB-CB 4.15Å; R308-A320 PolarHBondContact O-N 3.24Å
309	L	80.9	Confident	80.1	Confident	56 Å²	56	51 Å²	51	29%	0.293	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	135.2	160.7	-179.6	66.5	0	0	0	108.3	D311 Y319	L309-D311 WeakPolarHBondContact CD2-OD1 3.3Å; L309-D311 VanDerWaalsContact CG-OD1 3.26Å; L309-D311 WeakPolarHBondContact CG-OD1 3.48Å; L309-Y319 HydrophobicContact CB-CD1 4.47Å; L309-Y319 HydrophobicContact CB-CE1 4.38Å; L309-Y319 HydrophobicContact CD1-CD1 3.96Å; L309-Y319 HydrophobicContact CD1-CE1 3.56Å; L309-Y319 HydrophobicContact CD1-CE2 4.24Å; L309-Y319 HydrophobicContact CD1-CG 4.47Å; L309-Y319 HydrophobicContact CG-CE1 4.5Å
310	L	77.6	Confident	80.2	Confident	23 Å²	23	51.1 Å²	51.1	12%	0.12	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	104.7	179.6	-57.6	170.8	0	0	0	108	R308 G312 F315 N316 G317 S318 Y332	R308-L310 HydrophobicContact CG-CD2 4.23Å; L310-G312 VanDerWaalsContact C-N 3.32Å; L310-F315 HydrophobicContact CD1-CB 3.77Å; L310-N316 CarbonylContact O-C 3.56Å; L310-N316 VanDerWaalsContact O-CA 3.3Å; L310-N316 WeakPolarHBondContact O-CA 3.35Å; L310-N316 PolarHBondContact O-OD1 3.42Å; L310-G317 PolarHBondContact O-N 3.18Å; L310-S318 WeakPolarHBondContact CB-O 3.27Å; L310-S318 WeakPolarHBondContact CG-O 3.42Å; L310-S318 PolarHBondContact N-O 3.49Å; L310-Y332 HydrophobicContact CD1-CD1 3.4Å; L310-Y332 HydrophobicContact CD1-CE1 3.31Å; L310-Y332 HydrophobicContact CD1-CG 4.47Å; L310-Y332 HydrophobicContact CD2-CE1 4.45Å; L310-Y332 HydrophobicContact CG-CE1 4.48Å
311	D	66	Low	80.5	Confident	97 Å²	97	48.7 Å²	48.7	52%	0.519	27%	0.27	S	S	.	.			trans	-95.1	16.1	-176.5	-63.7	-39.2	0	0	0	113	L309 N316	L309-D311 WeakPolarHBondContact CD2-OD1 3.3Å; L309-D311 VanDerWaalsContact CG-OD1 3.26Å; L309-D311 WeakPolarHBondContact CG-OD1 3.48Å; D311-N316 VanDerWaalsContact C-OD1 3.25Å; D311-N316 WeakPolarHBondContact CA-OD1 3.22Å; D311-N316 PolarHBondContact O-OD1 2.84Å
312	G	62.8	Low	80.9	Confident	40 Å²	40	44.2 Å²	44.2	41%	0.412	24%	0.241	S	C	.	.	S	Bend	trans	-162	164.9	-176.5	0	0	0	0	0	113.8	L310	L310-G312 VanDerWaalsContact C-N 3.32Å
313	G	66.2	Low	81	Confident	32 Å²	32	42.3 Å²	42.3	33%	0.33	23%	0.23	S	C	.	.	S	Bend	trans	72.4	-160.9	-178.2	0	0	0	0	0	113.4	F315 N316	G313-F315 VanDerWaalsContact C-N 3.29Å; G313-F315 PolarHBondContact O-N 2.64Å; G313-N316 WeakPolarHBondContact O-CB 3.43Å; G313-N316 PolarHBondContact O-N 3.3Å
314	P	63	Low	80.9	Confident	12 Å²	12	41.3 Å²	41.3	8%	0.078	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-19.1	-171.7	24.7	-27.6	0	0	0	114.5	N316 G437 L440 S471 N472	P314-N316 VanDerWaalsContact C-N 3.33Å; P314-G437 WeakPolarHBondContact CD-O 3.4Å; P314-L440 HydrophobicContact CG-CD2 3.4Å; P314-L440 VanDerWaalsContact CG-CD2 3.4Å; P314-L440 HydrophobicContact CG-CG 4Å; P314-S471 WeakPolarHBondContact CB-OG 3.47Å; P314-S471 WeakPolarHBondContact CG-OG 3.38Å; P314-N472 HydrophobicContact CB-CB 4.29Å
315	F	72.1	Confident	80.4	Confident	11 Å²	11	45.2 Å²	45.2	5%	0.048	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	22.1	177	-59.3	-66.1	0	0	0	111.7	L310 G313 G317 S318 Y332 A367 F383 L440	L310-F315 HydrophobicContact CD1-CB 3.77Å; G313-F315 VanDerWaalsContact C-N 3.29Å; G313-F315 PolarHBondContact O-N 2.64Å; F315-G317 PolarHBondContact O-N 2.92Å; F315-S318 WeakPolarHBondContact O-CA 3.28Å; F315-S318 WeakPolarHBondContact O-CB 3.32Å; F315-S318 PolarHBondContact O-N 3.28Å; F315-S318 PolarHBondContact O-OG 3.29Å; F315-Y332 HydrophobicContact CD2-CD2 4.03Å; F315-Y332 AromaticContact CD2-CE2 3.86Å; F315-Y332 HydrophobicContact CD2-CE2 3.86Å; F315-Y332 HydrophobicContact CD2-CG 4.42Å; F315-Y332 HydrophobicContact CE1-CD2 4.39Å; F315-Y332 AromaticContact CE2-CD2 3.76Å; F315-Y332 HydrophobicContact CE2-CD2 3.76Å; F315-Y332 AromaticContact CE2-CE2 3.59Å; F315-Y332 HydrophobicContact CE2-CE2 3.59Å; F315-Y332 HydrophobicContact CG-CD2 4.44Å; F315-Y332 HydrophobicContact CG-CG 4.47Å; F315-Y332 AromaticContact CZ-CD2 3.97Å; F315-Y332 HydrophobicContact CZ-CD2 3.97Å; F315-Y332 HydrophobicContact CZ-CE2 4.22Å; F315-A367 HydrophobicContact CZ-CB 4.25Å; F315-F383 HydrophobicContact CE1-CB 4.4Å; F315-F383 HydrophobicContact CE1-CD1 4.32Å; F315-F383 HydrophobicContact CE1-CG 4.19Å; F315-L440 HydrophobicContact CE2-CD1 3.58Å; F315-L440 HydrophobicContact CE2-CD2 4.24Å; F315-L440 HydrophobicContact CE2-CG 4.49Å; F315-L440 HydrophobicContact CZ-CD1 3.95Å
316	N	70.4	Confident	79.5	Confident	102 Å²	102	53 Å²	53	55%	0.545	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	128.8	176.9	-172.4	16.8	0	0	0	111.1	L310 D311 G313 P314 S318	L310-N316 CarbonylContact O-C 3.56Å; L310-N316 VanDerWaalsContact O-CA 3.3Å; L310-N316 WeakPolarHBondContact O-CA 3.35Å; L310-N316 PolarHBondContact O-OD1 3.42Å; D311-N316 VanDerWaalsContact C-OD1 3.25Å; D311-N316 WeakPolarHBondContact CA-OD1 3.22Å; D311-N316 PolarHBondContact O-OD1 2.84Å; G313-N316 WeakPolarHBondContact O-CB 3.43Å; G313-N316 PolarHBondContact O-N 3.3Å; P314-N316 VanDerWaalsContact C-N 3.33Å; N316-S318 VanDerWaalsContact C-N 3.34Å
317	G	77	Confident	78.6	Confident	39 Å²	39	55.5 Å²	55.5	40%	0.402	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	9	-173.3	0	0	0	0	0	115	L310 F315	L310-G317 PolarHBondContact O-N 3.18Å; F315-G317 PolarHBondContact O-N 2.92Å
318	S	84.6	Confident	77.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	163.4	175.6	-46.6	0	0	0	0	111.4	L310 F315 N316 A333	L310-S318 WeakPolarHBondContact CB-O 3.27Å; L310-S318 WeakPolarHBondContact CG-O 3.42Å; L310-S318 PolarHBondContact N-O 3.49Å; F315-S318 WeakPolarHBondContact O-CA 3.28Å; F315-S318 WeakPolarHBondContact O-CB 3.32Å; F315-S318 PolarHBondContact O-N 3.28Å; F315-S318 PolarHBondContact O-OG 3.29Å; N316-S318 VanDerWaalsContact C-N 3.34Å; S318-A333 CarbonylContact C-O 3.52Å; S318-A333 WeakPolarHBondContact CA-O 3.36Å; S318-A333 WeakPolarHBondContact CB-O 3.32Å
319	Y	89.4	Confident	77.6	Confident	46 Å²	46	64.3 Å²	64.3	18%	0.18	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.5	-176.8	-60.5	-91.3	0	0	0	111	M291 V306 R308 L309 Y332 A333 V335	M291-Y319 HydrophobicContact CB-CD1 4.19Å; M291-Y319 HydrophobicContact CB-CD2 4.25Å; M291-Y319 HydrophobicContact CB-CE1 3.67Å; M291-Y319 HydrophobicContact CB-CE2 3.76Å; M291-Y319 HydrophobicContact CB-CG 4.44Å; M291-Y319 VanDerWaalsContact CB-CZ 3.44Å; M291-Y319 HydrophobicContact CE-CD1 4.23Å; M291-Y319 HydrophobicContact CE-CD2 3.45Å; M291-Y319 VanDerWaalsContact CE-CD2 3.45Å; M291-Y319 HydrophobicContact CE-CE2 4.09Å; M291-Y319 HydrophobicContact CE-CG 3.53Å; M291-Y319 HydrophobicContact CG-CD2 4.46Å; M291-Y319 HydrophobicContact CG-CE2 4.17Å; M291-Y319 WeakPolarHBondContact O-CE1 3.37Å; V306-Y319 HydrophobicContact CG1-CD1 3.77Å; V306-Y319 HydrophobicContact CG1-CG 4.41Å; R308-Y319 CarbonylContact O-C 3.42Å; R308-Y319 WeakPolarHBondContact O-CA 3.05Å; L309-Y319 HydrophobicContact CB-CD1 4.47Å; L309-Y319 HydrophobicContact CB-CE1 4.38Å; L309-Y319 HydrophobicContact CD1-CD1 3.96Å; L309-Y319 HydrophobicContact CD1-CE1 3.56Å; L309-Y319 HydrophobicContact CD1-CE2 4.24Å; L309-Y319 HydrophobicContact CD1-CG 4.47Å; L309-Y319 HydrophobicContact CG-CE1 4.5Å; Y319-Y332 CarbonylContact O-C 3.45Å; Y319-Y332 WeakPolarHBondContact O-CA 3.3Å; Y319-A333 PolarHBondContact N-O 2.73Å; Y319-A333 PolarHBondContact O-N 2.89Å; Y319-V335 HydrophobicContact CE2-CG2 4.11Å
320	A	89.1	Confident	77.9	Confident	3 Å²	3	62.3 Å²	62.3	3%	0.025	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	119.1	166.4	0	0	0	0	0	109.6	Q307 R308 Y322 F330	Q307-A320 PolarHBondContact N-O 3.41Å; R308-A320 HydrophobicContact CB-CB 4.15Å; R308-A320 PolarHBondContact O-N 3.24Å; A320-Y322 HydrophobicContact CB-CE2 3.98Å; A320-F330 HydrophobicContact CB-CD2 4.29Å
321	L	91	Very high	78.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.7	-177.2	-58.8	-168.2	0	0	0	110.2	M291 I297 L299 Y304 V306 F330 I331 A333	M291-L321 HydrophobicContact CE-CD2 4.05Å; I297-L321 HydrophobicContact CG2-CD1 4.11Å; I297-L321 HydrophobicContact CG2-CD2 4.46Å; L299-L321 HydrophobicContact CD1-CD1 3.91Å; Y304-L321 HydrophobicContact CD1-CB 3.95Å; Y304-L321 HydrophobicContact CG-CB 4.12Å; V306-L321 HydrophobicContact CB-CD2 4.12Å; V306-L321 HydrophobicContact CG1-CD2 4.27Å; V306-L321 HydrophobicContact CG2-CD2 3.7Å; L321-F330 CarbonylContact O-C 3.46Å; L321-F330 VanDerWaalsContact O-CA 3.26Å; L321-F330 WeakPolarHBondContact O-CA 3.46Å; L321-F330 VanDerWaalsContact O-CB 3.28Å; L321-F330 WeakPolarHBondContact O-CB 3.35Å; L321-I331 HydrophobicContact CB-CD1 4.39Å; L321-I331 HydrophobicContact CB-CG1 3.72Å; L321-I331 HydrophobicContact CD1-CD1 4.34Å; L321-I331 HydrophobicContact CD1-CG1 4.39Å; L321-I331 HydrophobicContact CG-CG1 4.44Å; L321-I331 PolarHBondContact N-O 3.37Å; L321-I331 PolarHBondContact O-N 2.92Å; L321-A333 HydrophobicContact CD1-CB 3.43Å; L321-A333 VanDerWaalsContact CD1-CB 3.43Å; L321-A333 HydrophobicContact CG-CB 3.76Å
322	Y	90.2	Very high	79.6	Confident	63 Å²	63	58.9 Å²	58.9	25%	0.247	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.3	-179	-72.8	-104.1	0	0	0	110.1	Y304 S305 Q307 A320 F330	Y304-Y322 CarbonylContact C-O 3.56Å; Y304-Y322 VanDerWaalsContact CA-O 3.31Å; Y304-Y322 WeakPolarHBondContact CA-O 3.41Å; S305-Y322 PolarHBondContact N-O 3.07Å; S305-Y322 PolarHBondContact O-N 3.35Å; Q307-Y322 HydrophobicContact CB-CD2 3.69Å; Q307-Y322 HydrophobicContact CB-CE2 3.9Å; Q307-Y322 VanDerWaalsContact CD-CG 3.43Å; Q307-Y322 HydrophobicContact CG-CD2 3.51Å; Q307-Y322 HydrophobicContact CG-CE2 4.16Å; Q307-Y322 HydrophobicContact CG-CG 4.1Å; Q307-Y322 VanDerWaalsContact NE2-CB 3.35Å; Q307-Y322 VanDerWaalsContact OE1-CD2 3.26Å; A320-Y322 HydrophobicContact CB-CE2 3.98Å; Y322-F330 HydrophobicContact CD1-CB 3.68Å; Y322-F330 HydrophobicContact CD2-CB 3.91Å; Y322-F330 HydrophobicContact CE1-CB 3.61Å; Y322-F330 AromaticContact CE1-CD1 3.96Å; Y322-F330 HydrophobicContact CE1-CD1 3.96Å; Y322-F330 HydrophobicContact CE1-CG 4.02Å; Y322-F330 HydrophobicContact CE2-CB 3.85Å; Y322-F330 HydrophobicContact CE2-CG 4.2Å; Y322-F330 HydrophobicContact CG-CB 3.84Å; Y322-F330 AromaticContact CZ-CD1 3.95Å; Y322-F330 AromaticContact CZ-CG 3.82Å
323	P	89.9	Confident	80.9	Confident	10 Å²	10	57 Å²	57	7%	0.065	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	140.2	179.2	29	-34.9	0	0	0	110.7	V302 K303 Y304 D325 K326 S327 R329	V302-P323 HydrophobicContact CG1-CB 4Å; K303-P323 WeakPolarHBondContact O-CA 3.31Å; Y304-P323 HydrophobicContact CD1-CB 3.98Å; Y304-P323 HydrophobicContact CE1-CB 3.82Å; Y304-P323 HydrophobicContact CE1-CG 4.3Å; P323-D325 VanDerWaalsContact CB-OD1 3.29Å; P323-D325 WeakPolarHBondContact CB-OD1 3.5Å; P323-D325 WeakPolarHBondContact CG-OD1 3.3Å; P323-D325 PolarHBondContact O-N 3.3Å; P323-K326 PolarHBondContact O-N 3.17Å; P323-S327 WeakPolarHBondContact CG-OG 3.33Å; P323-R329 WeakPolarHBondContact CD-O 3.41Å; P323-R329 WeakPolarHBondContact CG-O 3.33Å
324	L	86.7	Confident	82.1	Confident	90 Å²	90	56.6 Å²	56.6	47%	0.471	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.6	-176.7	-71.1	-176.6	0	0	0	113.3	V296 K303 K326	V296-L324 HydrophobicContact CG1-CD1 3.73Å; V296-L324 HydrophobicContact CG2-CD1 4.08Å; K303-L324 HydrophobicContact CB-CD1 3.75Å; K303-L324 HydrophobicContact CB-CG 4.24Å; K303-L324 PolarHBondContact O-N 2.97Å; L324-K326 PolarHBondContact O-N 3.32Å; L324-K326 VanDerWaalsContact O-N 3.11Å
325	D	82.9	Confident	83.4	Confident	112 Å²	112	58.7 Å²	58.7	60%	0.599	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-2.5	172	65.4	10.6	0	0	0	113.4	P323 S327	P323-D325 VanDerWaalsContact CB-OD1 3.29Å; P323-D325 WeakPolarHBondContact CB-OD1 3.5Å; P323-D325 WeakPolarHBondContact CG-OD1 3.3Å; P323-D325 PolarHBondContact O-N 3.3Å; D325-S327 PolarHBondContact O-N 2.99Å; D325-S327 WeakPolarHBondContact OD1-CB 3.42Å; D325-S327 PolarHBondContact OD1-N 3.16Å; D325-S327 PolarHBondContact OD1-OG 3.31Å
326	K	72	Confident	84.1	Confident	186 Å²	186	59 Å²	59	81%	0.809	29%	0.291	S	S	*	.			trans	64	22.7	-179.2	-51.2	176.5	-178	170.9	0	113.5	P323 L324 E328	P323-K326 PolarHBondContact O-N 3.17Å; L324-K326 PolarHBondContact O-N 3.32Å; L324-K326 VanDerWaalsContact O-N 3.11Å; K326-E328 PolarHBondContact O-N 2.73Å
327	S	71.6	Confident	84.8	Confident	53 Å²	53	61.1 Å²	61.1	37%	0.371	30%	0.298	S	S	.	.			trans	-59.9	137.7	165.1	59.4	0	0	0	0	109.4	P323 D325 R329	P323-S327 WeakPolarHBondContact CG-OG 3.33Å; D325-S327 PolarHBondContact O-N 2.99Å; D325-S327 WeakPolarHBondContact OD1-CB 3.42Å; D325-S327 PolarHBondContact OD1-N 3.16Å; D325-S327 PolarHBondContact OD1-OG 3.31Å; S327-R329 PolarHBondContact O-N 3.18Å; S327-R329 VanDerWaalsContact O-N 3.08Å
328	E	67.6	Low	84.7	Confident	161 Å²	161	62.7 Å²	62.7	75%	0.752	31%	0.307	S	S	*	.	S	Bend	trans	-69.6	-7.5	-173.5	-63.2	-165.9	157.5	0	0	113.5	K326	K326-E328 PolarHBondContact O-N 2.73Å
329	R	79.4	Confident	84.4	Confident	214 Å²	214	67.2 Å²	67.2	81%	0.808	34%	0.338	S	S	*	.			trans	-93.6	112.3	-177.7	-63.7	-174.8	-178.2	-178.1	1.9	109.5	P323 S327	P323-R329 WeakPolarHBondContact CD-O 3.41Å; P323-R329 WeakPolarHBondContact CG-O 3.33Å; S327-R329 PolarHBondContact O-N 3.18Å; S327-R329 VanDerWaalsContact O-N 3.08Å
330	F	85.9	Confident	84.1	Confident	15 Å²	15	66.4 Å²	66.4	7%	0.066	34%	0.339	C	S	.	.			trans	-88.1	167.5	166.6	67.2	-82.4	0	0	0	110	A320 L321 Y322 Y332 G385 Y386 R387	A320-F330 HydrophobicContact CB-CD2 4.29Å; L321-F330 CarbonylContact O-C 3.46Å; L321-F330 VanDerWaalsContact O-CA 3.26Å; L321-F330 WeakPolarHBondContact O-CA 3.46Å; L321-F330 VanDerWaalsContact O-CB 3.28Å; L321-F330 WeakPolarHBondContact O-CB 3.35Å; Y322-F330 HydrophobicContact CD1-CB 3.68Å; Y322-F330 HydrophobicContact CD2-CB 3.91Å; Y322-F330 HydrophobicContact CE1-CB 3.61Å; Y322-F330 AromaticContact CE1-CD1 3.96Å; Y322-F330 HydrophobicContact CE1-CD1 3.96Å; Y322-F330 HydrophobicContact CE1-CG 4.02Å; Y322-F330 HydrophobicContact CE2-CB 3.85Å; Y322-F330 HydrophobicContact CE2-CG 4.2Å; Y322-F330 HydrophobicContact CG-CB 3.84Å; Y322-F330 AromaticContact CZ-CD1 3.95Å; Y322-F330 AromaticContact CZ-CG 3.82Å; F330-Y332 HydrophobicContact CD2-CD1 4.45Å; F330-Y332 HydrophobicContact CD2-CE1 4.32Å; F330-Y332 HydrophobicContact CE2-CD1 4.03Å; F330-Y332 HydrophobicContact CE2-CD2 4.49Å; F330-Y332 AromaticContact CE2-CE1 3.52Å; F330-Y332 HydrophobicContact CE2-CE1 3.52Å; F330-Y332 HydrophobicContact CE2-CE2 4.04Å; F330-Y332 AromaticContact CE2-CZ 3.56Å; F330-Y332 HydrophobicContact CZ-CE1 4.44Å; F330-G385 VanDerWaalsContact O-CA 3.23Å; F330-G385 WeakPolarHBondContact O-CA 2.99Å; F330-G385 PolarHBondContact O-N 2.89Å; F330-Y386 WeakPolarHBondContact CZ-O 3.26Å; F330-R387 HydrophobicContact CE1-CG 3.63Å; F330-R387 HydrophobicContact CZ-CG 4.11Å
331	I	89.9	Confident	84	Confident	30 Å²	30	72 Å²	72	15%	0.154	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.8	170.5	64.1	177.4	0	0	0	109.5	Y304 L321 T382 F383	Y304-I331 HydrophobicContact CD1-CD1 4.17Å; Y304-I331 HydrophobicContact CD1-CG1 4.26Å; Y304-I331 HydrophobicContact CE1-CD1 3.66Å; Y304-I331 HydrophobicContact CE1-CG1 3.94Å; Y304-I331 HydrophobicContact CE2-CD1 4.12Å; L321-I331 HydrophobicContact CB-CD1 4.39Å; L321-I331 HydrophobicContact CB-CG1 3.72Å; L321-I331 HydrophobicContact CD1-CD1 4.34Å; L321-I331 HydrophobicContact CD1-CG1 4.39Å; L321-I331 HydrophobicContact CG-CG1 4.44Å; L321-I331 PolarHBondContact N-O 3.37Å; L321-I331 PolarHBondContact O-N 2.92Å; I331-T382 HydrophobicContact CD1-CG2 3.91Å; I331-F383 WeakPolarHBondContact CB-O 3.44Å
332	Y	89.6	Confident	84	Confident	18 Å²	18	72.3 Å²	72.3	7%	0.071	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.3	167.2	-65.3	-59.1	0	0	0	109.9	L310 F315 Y319 F330 T382 F383 A384 Y386	L310-Y332 HydrophobicContact CD1-CD1 3.4Å; L310-Y332 HydrophobicContact CD1-CE1 3.31Å; L310-Y332 HydrophobicContact CD1-CG 4.47Å; L310-Y332 HydrophobicContact CD2-CE1 4.45Å; L310-Y332 HydrophobicContact CG-CE1 4.48Å; F315-Y332 HydrophobicContact CD2-CD2 4.03Å; F315-Y332 AromaticContact CD2-CE2 3.86Å; F315-Y332 HydrophobicContact CD2-CE2 3.86Å; F315-Y332 HydrophobicContact CD2-CG 4.42Å; F315-Y332 HydrophobicContact CE1-CD2 4.39Å; F315-Y332 AromaticContact CE2-CD2 3.76Å; F315-Y332 HydrophobicContact CE2-CD2 3.76Å; F315-Y332 AromaticContact CE2-CE2 3.59Å; F315-Y332 HydrophobicContact CE2-CE2 3.59Å; F315-Y332 HydrophobicContact CG-CD2 4.44Å; F315-Y332 HydrophobicContact CG-CG 4.47Å; F315-Y332 AromaticContact CZ-CD2 3.97Å; F315-Y332 HydrophobicContact CZ-CD2 3.97Å; F315-Y332 HydrophobicContact CZ-CE2 4.22Å; Y319-Y332 CarbonylContact O-C 3.45Å; Y319-Y332 WeakPolarHBondContact O-CA 3.3Å; F330-Y332 HydrophobicContact CD2-CD1 4.45Å; F330-Y332 HydrophobicContact CD2-CE1 4.32Å; F330-Y332 HydrophobicContact CE2-CD1 4.03Å; F330-Y332 HydrophobicContact CE2-CD2 4.49Å; F330-Y332 AromaticContact CE2-CE1 3.52Å; F330-Y332 HydrophobicContact CE2-CE1 3.52Å; F330-Y332 HydrophobicContact CE2-CE2 4.04Å; F330-Y332 AromaticContact CE2-CZ 3.56Å; F330-Y332 HydrophobicContact CZ-CE1 4.44Å; Y332-T382 CarbonylContact O-C 3.57Å; Y332-T382 VanDerWaalsContact O-CA 3.22Å; Y332-T382 WeakPolarHBondContact O-CA 3.04Å; Y332-F383 PolarHBondContact N-O 3.49Å; Y332-F383 PolarHBondContact O-N 3.5Å; Y332-A384 WeakPolarHBondContact CD2-O 3.22Å; Y332-Y386 HydrophobicContact CE2-CD2 4.35Å; Y332-Y386 VanDerWaalsContact CE2-N 3.31Å; Y332-Y386 PolarHBondContact OH-O 3.45Å
333	A	91.3	Very high	84.2	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.7	178.3	0	0	0	0	0	110.4	M291 S318 Y319 L321 L380 L381	M291-A333 HydrophobicContact CE-CB 4.47Å; S318-A333 CarbonylContact C-O 3.52Å; S318-A333 WeakPolarHBondContact CA-O 3.36Å; S318-A333 WeakPolarHBondContact CB-O 3.32Å; Y319-A333 PolarHBondContact N-O 2.73Å; Y319-A333 PolarHBondContact O-N 2.89Å; L321-A333 HydrophobicContact CD1-CB 3.43Å; L321-A333 VanDerWaalsContact CD1-CB 3.43Å; L321-A333 HydrophobicContact CG-CB 3.76Å; A333-L380 HydrophobicContact CB-CD1 3.99Å; A333-L380 HydrophobicContact CB-CD2 4.34Å; A333-L380 HydrophobicContact CB-CG 4.23Å; A333-L381 CarbonylContact C-O 3.55Å; A333-L381 WeakPolarHBondContact CA-O 3.22Å
334	K	90.4	Very high	84.3	Confident	24 Å²	24	74 Å²	74	10%	0.104	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.1	-178.7	-173.4	-173.4	-174.8	-173.4	0	109.1	V336 E342 L381 F383	K334-V336 HydrophobicContact CD-CG1 3.91Å; K334-V336 HydrophobicContact CG-CG1 3.92Å; K334-E342 IonicContact NZ-OE1 3.8Å; K334-E342 PolarHBondContact NZ-OE1 2.81Å; K334-E342 IonicContact NZ-OE2 2.6Å; K334-E342 PolarHBondContact NZ-OE2 2.83Å; K334-L381 PolarHBondContact N-O 3.34Å; K334-L381 PolarHBondContact O-N 2.88Å; K334-F383 HydrophobicContact CB-CE2 3.84Å; K334-F383 HydrophobicContact CD-CE2 4.28Å; K334-F383 HydrophobicContact CD-CZ 4.42Å
335	V	89.7	Confident	84.6	Confident	56 Å²	56	70.2 Å²	70.2	34%	0.339	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123.9	172.9	-174.5	0	0	0	0	108.1	L288 Y319 C378 L380	L288-V335 HydrophobicContact CD2-CG1 4.05Å; L288-V335 HydrophobicContact CD2-CG2 3.75Å; Y319-V335 HydrophobicContact CE2-CG2 4.11Å; V335-C378 HydrophobicContact CG1-CB 4.04Å; V335-L380 HydrophobicContact CG2-CD1 3.65Å
336	V	88.3	Confident	85.1	Confident	18 Å²	18	65 Å²	65	11%	0.109	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	161.2	178.2	-57.5	0	0	0	0	110.7	K334 C378 E379 L381	K334-V336 HydrophobicContact CD-CG1 3.91Å; K334-V336 HydrophobicContact CG-CG1 3.92Å; V336-C378 WeakPolarHBondContact O-CB 3.16Å; V336-E379 HydrophobicContact CG2-CB 3.82Å; V336-E379 HydrophobicContact CG2-CG 4.12Å; V336-E379 WeakPolarHBondContact CG2-O 3.49Å; V336-E379 PolarHBondContact N-O 3.11Å; V336-E379 PolarHBondContact O-N 3.22Å; V336-L381 HydrophobicContact CG1-CD1 4.09Å; V336-L381 HydrophobicContact CG1-CG 4.37Å; V336-L381 HydrophobicContact CG2-CD1 3.98Å; V336-L381 HydrophobicContact CG2-CD2 4.44Å; V336-L381 HydrophobicContact CG2-CG 3.84Å
337	Q	84.2	Confident	86.1	Confident	146 Å²	146	58 Å²	58	68%	0.682	30%	0.304	S	S	*	.			trans	-68.1	147.3	172.5	-65.7	177.9	1.3	0	0	109.7	S339 S340	Q337-S339 PolarHBondContact O-N 3.07Å; Q337-S340 VanDerWaalsContact O-CB 3.26Å; Q337-S340 WeakPolarHBondContact O-CB 3.38Å; Q337-S340 PolarHBondContact O-N 3.4Å
338	A	75.9	Confident	87.2	Confident	71 Å²	71	58.7 Å²	58.7	59%	0.587	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-12.3	-176.7	0	0	0	0	0	114.8
339	S	76.8	Confident	88.4	Confident	95 Å²	95	51 Å²	51	66%	0.664	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	11.8	174.9	64.1	0	0	0	0	113.6	Q337	Q337-S339 PolarHBondContact O-N 3.07Å
340	S	83.7	Confident	89.1	Confident	29 Å²	29	43.8 Å²	43.8	20%	0.203	24%	0.238	C	C	.	.			trans	-77.5	123.7	-178.8	-173.1	0	0	0	0	111.3	Q337 E342	Q337-S340 VanDerWaalsContact O-CB 3.26Å; Q337-S340 WeakPolarHBondContact O-CB 3.38Å; Q337-S340 PolarHBondContact O-N 3.4Å; S340-E342 VanDerWaalsContact C-N 3.25Å; S340-E342 PolarHBondContact O-N 2.78Å; S340-E342 WeakPolarHBondContact OG-CB 3.22Å; S340-E342 PolarHBondContact OG-N 3.07Å
341	D	87.8	Confident	89.3	Confident	120 Å²	120	47.4 Å²	47.4	64%	0.642	26%	0.255	S	S	*	.			trans	-84.5	3.2	174.3	-66.2	-35.2	0	0	0	113	F343 L344 L345	D341-F343 VanDerWaalsContact C-N 3.28Å; D341-F343 PolarHBondContact O-N 3.39Å; D341-L344 PolarHBondContact O-N 3Å; D341-L344 VanDerWaalsContact O-N 3.09Å; D341-L345 PolarHBondContact O-N 2.92Å
342	E	91.2	Very high	89.5	Confident	7 Å²	7	49 Å²	49	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-36.4	-174.6	-175.5	173.5	-177.4	0	0	112.8	K334 S340 S346 L381	K334-E342 IonicContact NZ-OE1 3.8Å; K334-E342 PolarHBondContact NZ-OE1 2.81Å; K334-E342 IonicContact NZ-OE2 2.6Å; K334-E342 PolarHBondContact NZ-OE2 2.83Å; S340-E342 VanDerWaalsContact C-N 3.25Å; S340-E342 PolarHBondContact O-N 2.78Å; S340-E342 WeakPolarHBondContact OG-CB 3.22Å; S340-E342 PolarHBondContact OG-N 3.07Å; E342-S346 VanDerWaalsContact O-CB 3.27Å; E342-S346 WeakPolarHBondContact O-CB 3.26Å; E342-S346 PolarHBondContact O-N 3.29Å; E342-S346 PolarHBondContact O-OG 3.18Å; E342-L381 HydrophobicContact CB-CD1 4Å; E342-L381 HydrophobicContact CG-CD1 4.05Å
343	F	92.8	Very high	89.7	Confident	18 Å²	18	48.3 Å²	48.3	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-70.8	-42.8	175.6	-179.7	-108.9	0	0	0	112.4	D280 C281 D341 S346 K347 A369 L381	D280-F343 HydrophobicContact CB-CZ 3.75Å; C281-F343 HydrophobicContact CB-CE1 4.25Å; D341-F343 VanDerWaalsContact C-N 3.28Å; D341-F343 PolarHBondContact O-N 3.39Å; F343-S346 WeakPolarHBondContact O-CB 3.47Å; F343-S346 PolarHBondContact O-N 3.01Å; F343-K347 WeakPolarHBondContact O-CB 3.45Å; F343-K347 PolarHBondContact O-N 3.19Å; F343-A369 HydrophobicContact CD2-CB 4.05Å; F343-L381 HydrophobicContact CB-CD1 4.46Å; F343-L381 HydrophobicContact CB-CD2 3.71Å; F343-L381 HydrophobicContact CD2-CD2 4.3Å; F343-L381 HydrophobicContact CG-CD2 4.26Å
344	L	92.2	Very high	89.5	Confident	90 Å²	90	52.1 Å²	52.1	47%	0.471	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-46.3	178.8	179.9	60.9	0	0	0	110.5	D341 S346 K347 Q348	D341-L344 PolarHBondContact O-N 3Å; D341-L344 VanDerWaalsContact O-N 3.09Å; L344-S346 VanDerWaalsContact C-N 3.35Å; L344-S346 PolarHBondContact O-N 2.66Å; L344-K347 PolarHBondContact O-N 2.98Å; L344-Q348 WeakPolarHBondContact O-CG 3.38Å; L344-Q348 PolarHBondContact O-N 2.81Å
345	L	93.5	Very high	89.4	Confident	12 Å²	12	55.1 Å²	55.1	6%	0.063	31%	0.311	C	S	.	.	H	α-helix	trans	-58.8	-46.9	173.7	179.2	65.5	0	0	0	111.2	D341 K347 Q348 M349 V429 F473 A476 Q478	D341-L345 PolarHBondContact O-N 2.92Å; L345-K347 VanDerWaalsContact C-N 3.29Å; L345-K347 PolarHBondContact O-N 2.82Å; L345-Q348 PolarHBondContact O-N 2.78Å; L345-M349 HydrophobicContact CD1-CG 4.19Å; L345-M349 HydrophobicContact CD1-SD 4.31Å; L345-M349 HydrophobicContact CG-CG 4.36Å; L345-M349 HydrophobicContact CG-SD 4.09Å; L345-M349 WeakPolarHBondContact O-CB 3.37Å; L345-M349 VanDerWaalsContact O-CG 3.28Å; L345-M349 WeakPolarHBondContact O-CG 3.12Å; L345-M349 PolarHBondContact O-N 2.82Å; L345-V429 HydrophobicContact CD1-CG2 4.21Å; L345-F473 HydrophobicContact CD2-CB 4.35Å; L345-F473 HydrophobicContact CD2-CD1 4.45Å; L345-A476 HydrophobicContact CD2-CB 3.57Å; L345-A476 WeakPolarHBondContact CD2-O 3.07Å; L345-Q478 HydrophobicContact CD1-CB 3.94Å
346	S	94.3	Very high	89.3	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.007	31%	0.305	C	S	.	.	H	α-helix	trans	-57.8	-41.7	178.2	-69.8	0	0	0	0	112.4	E342 F343 L344 R350 A369	E342-S346 VanDerWaalsContact O-CB 3.27Å; E342-S346 WeakPolarHBondContact O-CB 3.26Å; E342-S346 PolarHBondContact O-N 3.29Å; E342-S346 PolarHBondContact O-OG 3.18Å; F343-S346 WeakPolarHBondContact O-CB 3.47Å; F343-S346 PolarHBondContact O-N 3.01Å; L344-S346 VanDerWaalsContact C-N 3.35Å; L344-S346 PolarHBondContact O-N 2.66Å; S346-R350 VanDerWaalsContact C-NH1 3.32Å; S346-R350 WeakPolarHBondContact O-CG 3.28Å; S346-R350 PolarHBondContact O-N 2.96Å; S346-R350 VanDerWaalsContact O-N 3.11Å; S346-R350 PolarHBondContact O-NH1 3.37Å; S346-R350 VanDerWaalsContact O-NH1 3.07Å; S346-A369 PolarHBondContact OG-N 2.89Å; S346-A369 VanDerWaalsContact OG-N 3.16Å
347	K	92.8	Very high	89.2	Confident	40 Å²	40	58.9 Å²	58.9	17%	0.174	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-51.3	177.5	-178.4	176.7	176.6	176.6	0	111.2	F343 L344 L345 M349 R350 E351	F343-K347 WeakPolarHBondContact O-CB 3.45Å; F343-K347 PolarHBondContact O-N 3.19Å; L344-K347 PolarHBondContact O-N 2.98Å; L345-K347 VanDerWaalsContact C-N 3.29Å; L345-K347 PolarHBondContact O-N 2.82Å; K347-M349 VanDerWaalsContact C-N 3.31Å; K347-M349 PolarHBondContact O-N 3.05Å; K347-R350 PolarHBondContact O-N 2.82Å; K347-R350 VanDerWaalsContact O-N 3.15Å; K347-E351 WeakPolarHBondContact CE-OE1 3.36Å; K347-E351 WeakPolarHBondContact O-CG 3.31Å; K347-E351 PolarHBondContact O-N 3.26Å
348	Q	93.2	Very high	89.3	Confident	68 Å²	68	60.4 Å²	60.4	32%	0.318	32%	0.324	S	S	.	.	H	α-helix	trans	-57.8	-43.5	177.8	-72.3	172.2	-29.4	0	0	111.9	L344 L345 E351 L352	L344-Q348 WeakPolarHBondContact O-CG 3.38Å; L344-Q348 PolarHBondContact O-N 2.81Å; L345-Q348 PolarHBondContact O-N 2.78Å; Q348-E351 PolarHBondContact O-N 3.25Å; Q348-L352 VanDerWaalsContact O-CG 3.3Å; Q348-L352 WeakPolarHBondContact O-CG 3.37Å; Q348-L352 PolarHBondContact O-N 2.88Å
349	M	94.5	Very high	89.9	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-45.6	176.2	-75.4	-175.5	74.5	0	0	111.9	L345 K347 E351 L352 L353 F366 L368 I427 V429 F473	L345-M349 HydrophobicContact CD1-CG 4.19Å; L345-M349 HydrophobicContact CD1-SD 4.31Å; L345-M349 HydrophobicContact CG-CG 4.36Å; L345-M349 HydrophobicContact CG-SD 4.09Å; L345-M349 WeakPolarHBondContact O-CB 3.37Å; L345-M349 VanDerWaalsContact O-CG 3.28Å; L345-M349 WeakPolarHBondContact O-CG 3.12Å; L345-M349 PolarHBondContact O-N 2.82Å; K347-M349 VanDerWaalsContact C-N 3.31Å; K347-M349 PolarHBondContact O-N 3.05Å; M349-E351 PolarHBondContact O-N 2.89Å; M349-L352 PolarHBondContact O-N 2.04Å; M349-L353 HydrophobicContact CB-CD1 4.49Å; M349-L353 VanDerWaalsContact O-CB 3.31Å; M349-L353 WeakPolarHBondContact O-CB 3.5Å; M349-L353 WeakPolarHBondContact O-CD1 3.37Å; M349-L353 WeakPolarHBondContact O-CG 3.36Å; M349-L353 PolarHBondContact O-N 3.39Å; M349-F366 HydrophobicContact CE-CD1 4.42Å; M349-F366 HydrophobicContact CE-CG 4.39Å; M349-L368 HydrophobicContact CB-CD1 3.77Å; M349-L368 HydrophobicContact CB-CD2 4.38Å; M349-L368 HydrophobicContact CE-CD2 4.18Å; M349-L368 HydrophobicContact SD-CD2 3.88Å; M349-I427 HydrophobicContact CE-CD1 3.81Å; M349-I427 HydrophobicContact CG-CD1 4.07Å; M349-V429 HydrophobicContact CE-CG1 4.21Å; M349-V429 HydrophobicContact CE-CG2 4.38Å; M349-V429 HydrophobicContact CG-CG2 3.95Å; M349-V429 HydrophobicContact SD-CG1 4.16Å; M349-V429 HydrophobicContact SD-CG2 4.1Å; M349-F473 HydrophobicContact CE-CD1 4.16Å; M349-F473 HydrophobicContact CE-CE1 3.42Å; M349-F473 VanDerWaalsContact CE-CE1 3.42Å; M349-F473 HydrophobicContact CE-CZ 3.9Å; M349-F473 HydrophobicContact SD-CD1 3.7Å; M349-F473 HydrophobicContact SD-CE1 3.61Å; M349-F473 HydrophobicContact SD-CZ 4.41Å
350	R	92.8	Very high	90.3	Very high	62 Å²	62	56.4 Å²	56.4	23%	0.234	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-46.5	177.2	-76.9	-168	-59.4	-83.2	18.9	112.1	S346 K347 L352 L353 C354 L368 A369 V370	S346-R350 VanDerWaalsContact C-NH1 3.32Å; S346-R350 WeakPolarHBondContact O-CG 3.28Å; S346-R350 PolarHBondContact O-N 2.96Å; S346-R350 VanDerWaalsContact O-N 3.11Å; S346-R350 PolarHBondContact O-NH1 3.37Å; S346-R350 VanDerWaalsContact O-NH1 3.07Å; K347-R350 PolarHBondContact O-N 2.82Å; K347-R350 VanDerWaalsContact O-N 3.15Å; R350-L352 VanDerWaalsContact C-N 3.34Å; R350-L352 PolarHBondContact O-N 2.78Å; R350-L353 PolarHBondContact O-N 3.39Å; R350-C354 WeakPolarHBondContact O-CB 3.39Å; R350-C354 PolarHBondContact O-N 3.34Å; R350-C354 PolarHBondContact O-SG 2.77Å; R350-C354 VanDerWaalsContact O-SG 3.35Å; R350-L368 HydrophobicContact CG-CB 4.32Å; R350-L368 HydrophobicContact CG-CD1 3.61Å; R350-A369 VanDerWaalsContact CZ-O 3.22Å; R350-A369 PolarHBondContact NH1-O 3.34Å; R350-A369 PolarHBondContact NH2-O 3.24Å; R350-A369 VanDerWaalsContact NH2-O 3.09Å; R350-V370 PolarHBondContact NH2-O 3.21Å
351	E	91.5	Very high	90.2	Very high	90 Å²	90	58.6 Å²	58.6	42%	0.421	29%	0.288	S	S	.	.	H	α-helix	trans	-60.1	-44.6	179.6	-70.5	170.7	-177.9	0	0	111.4	K347 Q348 M349 S355	K347-E351 WeakPolarHBondContact CE-OE1 3.36Å; K347-E351 WeakPolarHBondContact O-CG 3.31Å; K347-E351 PolarHBondContact O-N 3.26Å; Q348-E351 PolarHBondContact O-N 3.25Å; M349-E351 PolarHBondContact O-N 2.89Å; E351-S355 VanDerWaalsContact O-CB 3.26Å; E351-S355 WeakPolarHBondContact O-CB 3.42Å; E351-S355 PolarHBondContact O-N 2.78Å; E351-S355 VanDerWaalsContact O-N 3.08Å; E351-S355 PolarHBondContact O-OG 2.88Å
352	L	93.1	Very high	90.2	Very high	65 Å²	65	53.2 Å²	53.2	34%	0.34	26%	0.26	S	S	.	.	H	α-helix	trans	-68.7	-41.5	178.3	-68.3	171.9	0	0	0	112.8	Q348 M349 R350 C354 S355 D356 I427	Q348-L352 VanDerWaalsContact O-CG 3.3Å; Q348-L352 WeakPolarHBondContact O-CG 3.37Å; Q348-L352 PolarHBondContact O-N 2.88Å; M349-L352 PolarHBondContact O-N 2.04Å; R350-L352 VanDerWaalsContact C-N 3.34Å; R350-L352 PolarHBondContact O-N 2.78Å; L352-C354 VanDerWaalsContact C-N 3.34Å; L352-C354 PolarHBondContact O-N 2.74Å; L352-S355 WeakPolarHBondContact CA-OG 3.39Å; L352-S355 PolarHBondContact O-OG 2.84Å; L352-D356 PolarHBondContact O-N 2.74Å; L352-I427 HydrophobicContact CB-CB 4.36Å; L352-I427 HydrophobicContact CB-CG2 3.79Å; L352-I427 HydrophobicContact CD1-CB 4.02Å; L352-I427 HydrophobicContact CD1-CG2 4.33Å
353	L	92.8	Very high	89.9	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-67.1	-33.4	179.5	-70.9	165.8	0	0	0	112.8	M349 R350 L359 A363 F366 L368 A423 I427	M349-L353 HydrophobicContact CB-CD1 4.49Å; M349-L353 VanDerWaalsContact O-CB 3.31Å; M349-L353 WeakPolarHBondContact O-CB 3.5Å; M349-L353 WeakPolarHBondContact O-CD1 3.37Å; M349-L353 WeakPolarHBondContact O-CG 3.36Å; M349-L353 PolarHBondContact O-N 3.39Å; R350-L353 PolarHBondContact O-N 3.39Å; L353-L359 HydrophobicContact CD2-CB 4.17Å; L353-L359 HydrophobicContact CD2-CD1 4.36Å; L353-A363 HydrophobicContact CB-CB 4.4Å; L353-F366 HydrophobicContact CD1-CD2 3.45Å; L353-F366 VanDerWaalsContact CD1-CD2 3.45Å; L353-F366 HydrophobicContact CD1-CE2 3.91Å; L353-F366 HydrophobicContact CD1-CG 4.39Å; L353-F366 HydrophobicContact CD2-CD2 4.17Å; L353-F366 HydrophobicContact CD2-CE2 3.75Å; L353-F366 HydrophobicContact CG-CD2 4.48Å; L353-L368 HydrophobicContact CD1-CD1 4.15Å; L353-A423 HydrophobicContact CD2-CB 4.23Å; L353-I427 HydrophobicContact CD2-CD1 4.45Å
354	C	88.4	Confident	89.6	Confident	80 Å²	80	59 Å²	59	54%	0.541	30%	0.296	S	S	.	.	H	α-helix	trans	-83	-30.5	179.5	-70.1	0	0	0	0	113.1	R350 L352	R350-C354 WeakPolarHBondContact O-CB 3.39Å; R350-C354 PolarHBondContact O-N 3.34Å; R350-C354 PolarHBondContact O-SG 2.77Å; R350-C354 VanDerWaalsContact O-SG 3.35Å; L352-C354 VanDerWaalsContact C-N 3.34Å; L352-C354 PolarHBondContact O-N 2.74Å
355	S	88.2	Confident	89.5	Confident	87 Å²	87	54.7 Å²	54.7	61%	0.608	27%	0.273	S	S	*	.	H	α-helix	trans	-77.9	-33	-177	54.4	0	0	0	0	113.7	E351 L352	E351-S355 VanDerWaalsContact O-CB 3.26Å; E351-S355 WeakPolarHBondContact O-CB 3.42Å; E351-S355 PolarHBondContact O-N 2.78Å; E351-S355 VanDerWaalsContact O-N 3.08Å; E351-S355 PolarHBondContact O-OG 2.88Å; L352-S355 WeakPolarHBondContact CA-OG 3.39Å; L352-S355 PolarHBondContact O-OG 2.84Å
356	D	87.7	Confident	89.5	Confident	40 Å²	40	54.3 Å²	54.3	21%	0.214	27%	0.271	C	S	.	.			trans	-92.5	115.2	178.4	-168	-26.8	0	0	0	111.4	L352 R358 L359 R360	L352-D356 PolarHBondContact O-N 2.74Å; D356-R358 PolarHBondContact O-N 3.27Å; D356-R358 VanDerWaalsContact O-N 3.11Å; D356-R358 WeakPolarHBondContact OD1-CB 3.4Å; D356-R358 WeakPolarHBondContact OD1-CG 3.3Å; D356-R358 IonicContact OD1-CZ 3.82Å; D356-R358 PolarHBondContact OD1-N 3.4Å; D356-R358 IonicContact OD1-NE 2.79Å; D356-R358 PolarHBondContact OD1-NE 3.34Å; D356-R358 IonicContact OD1-NH2 3.1Å; D356-R358 IonicContact OD2-CZ 2.98Å; D356-R358 IonicContact OD2-NE 2.66Å; D356-R358 PolarHBondContact OD2-NE 3.47Å; D356-R358 VanDerWaalsContact OD2-NE 3.15Å; D356-R358 IonicContact OD2-NH2 2.66Å; D356-R358 PolarHBondContact OD2-NH2 3.08Å; D356-L359 HydrophobicContact CB-CB 4.17Å; D356-L359 HydrophobicContact CB-CD1 3.83Å; D356-L359 HydrophobicContact CB-CG 3.84Å; D356-L359 WeakPolarHBondContact O-CB 3.26Å; D356-L359 PolarHBondContact O-N 2.82Å; D356-R360 PolarHBondContact O-N 2.75Å
357	E	86.2	Confident	89.4	Confident	114 Å²	114	54.4 Å²	54.4	53%	0.533	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-50.8	-37.2	176.8	-169.8	66.7	-133.4	0	0	112.4	L359 R360	E357-L359 PolarHBondContact O-N 3.44Å; E357-R360 PolarHBondContact O-N 3.05Å; E357-R360 WeakPolarHBondContact OE1-CD 3.46Å; E357-R360 IonicContact OE1-CZ 2.8Å; E357-R360 IonicContact OE1-NE 3Å; E357-R360 IonicContact OE1-NH1 2.63Å; E357-R360 PolarHBondContact OE1-NH1 3.16Å; E357-R360 VanDerWaalsContact OE1-NH1 3.1Å; E357-R360 IonicContact OE2-CZ 3.93Å; E357-R360 IonicContact OE2-NE 3.15Å; E357-R360 IonicContact OE2-NH1 2.71Å; E357-R360 PolarHBondContact OE2-NH1 3.16Å; E357-R360 IonicContact OE2-NH2 3.2Å; E357-R360 PolarHBondContact OE2-NH2 2.75Å
358	R	85.4	Confident	89.4	Confident	177 Å²	177	53.1 Å²	53.1	67%	0.668	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-66.7	-22.8	-178.3	-56	174.3	-66.1	174.8	2	112.1	D356	D356-R358 PolarHBondContact O-N 3.27Å; D356-R358 VanDerWaalsContact O-N 3.11Å; D356-R358 WeakPolarHBondContact OD1-CB 3.4Å; D356-R358 WeakPolarHBondContact OD1-CG 3.3Å; D356-R358 IonicContact OD1-CZ 3.82Å; D356-R358 PolarHBondContact OD1-N 3.4Å; D356-R358 IonicContact OD1-NE 2.79Å; D356-R358 PolarHBondContact OD1-NE 3.34Å; D356-R358 IonicContact OD1-NH2 3.1Å; D356-R358 IonicContact OD2-CZ 2.98Å; D356-R358 IonicContact OD2-NE 2.66Å; D356-R358 PolarHBondContact OD2-NE 3.47Å; D356-R358 VanDerWaalsContact OD2-NE 3.15Å; D356-R358 IonicContact OD2-NH2 2.66Å; D356-R358 PolarHBondContact OD2-NH2 3.08Å
359	L	89.6	Confident	89.4	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-97.9	-12.8	-176.1	-61.6	-175.6	0	0	0	113.3	L353 D356 E357 M361 S362 A363 A423 L426 I427	L353-L359 HydrophobicContact CD2-CB 4.17Å; L353-L359 HydrophobicContact CD2-CD1 4.36Å; D356-L359 HydrophobicContact CB-CB 4.17Å; D356-L359 HydrophobicContact CB-CD1 3.83Å; D356-L359 HydrophobicContact CB-CG 3.84Å; D356-L359 WeakPolarHBondContact O-CB 3.26Å; D356-L359 PolarHBondContact O-N 2.82Å; E357-L359 PolarHBondContact O-N 3.44Å; L359-M361 PolarHBondContact O-N 3.43Å; L359-M361 VanDerWaalsContact O-N 3.16Å; L359-S362 CarbonylContact O-C 3.5Å; L359-S362 WeakPolarHBondContact O-CA 3.04Å; L359-S362 PolarHBondContact O-N 3.42Å; L359-A363 PolarHBondContact O-N 3.13Å; L359-A423 HydrophobicContact CD2-CB 3.91Å; L359-L426 HydrophobicContact CD2-CB 4.08Å; L359-L426 HydrophobicContact CD2-CD1 3.55Å; L359-L426 HydrophobicContact CD2-CG 4.45Å; L359-I427 HydrophobicContact CD1-CG2 3.39Å
360	R	83.7	Confident	89.2	Confident	78 Å²	78	52.8 Å²	52.8	29%	0.294	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-55.6	-37.1	-177	-73.3	-172	178.7	162.4	6.2	113.4	D356 E357 S362 A363	D356-R360 PolarHBondContact O-N 2.75Å; E357-R360 PolarHBondContact O-N 3.05Å; E357-R360 WeakPolarHBondContact OE1-CD 3.46Å; E357-R360 IonicContact OE1-CZ 2.8Å; E357-R360 IonicContact OE1-NE 3Å; E357-R360 IonicContact OE1-NH1 2.63Å; E357-R360 PolarHBondContact OE1-NH1 3.16Å; E357-R360 VanDerWaalsContact OE1-NH1 3.1Å; E357-R360 IonicContact OE2-CZ 3.93Å; E357-R360 IonicContact OE2-NE 3.15Å; E357-R360 IonicContact OE2-NH1 2.71Å; E357-R360 PolarHBondContact OE2-NH1 3.16Å; E357-R360 IonicContact OE2-NH2 3.2Å; E357-R360 PolarHBondContact OE2-NH2 2.75Å; R360-S362 PolarHBondContact O-N 3.45Å; R360-S362 VanDerWaalsContact O-N 3.13Å; R360-A363 WeakPolarHBondContact O-CB 3.25Å; R360-A363 PolarHBondContact O-N 3.2Å; R360-A363 VanDerWaalsContact O-N 3.12Å
361	M	82.7	Confident	89.2	Confident	76 Å²	76	51.7 Å²	51.7	37%	0.374	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-64.5	-16.8	177.1	-56.1	-46	-72.5	0	0	113.7	L359 R462 P464 V465	L359-M361 PolarHBondContact O-N 3.43Å; L359-M361 VanDerWaalsContact O-N 3.16Å; M361-R462 WeakPolarHBondContact CE-O 3.27Å; M361-P464 HydrophobicContact CE-CB 3.67Å; M361-P464 VanDerWaalsContact CE-CD 3.47Å; M361-P464 HydrophobicContact CE-CG 4.02Å; M361-P464 VanDerWaalsContact CE-N 3.29Å; M361-P464 WeakPolarHBondContact O-CA 3.33Å; M361-V465 PolarHBondContact O-N 2.76Å
362	S	87.7	Confident	89.3	Confident	7 Å²	7	47.4 Å²	47.4	5%	0.049	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-108.9	-1.3	178.1	-55.1	0	0	0	0	113	L359 R360 N364 A365 F366	L359-S362 CarbonylContact O-C 3.5Å; L359-S362 WeakPolarHBondContact O-CA 3.04Å; L359-S362 PolarHBondContact O-N 3.42Å; R360-S362 PolarHBondContact O-N 3.45Å; R360-S362 VanDerWaalsContact O-N 3.13Å; S362-N364 PolarHBondContact O-N 3.02Å; S362-A365 WeakPolarHBondContact O-CB 3.49Å; S362-A365 PolarHBondContact O-N 3.42Å; S362-F366 WeakPolarHBondContact O-CD2 3.04Å; S362-F366 WeakPolarHBondContact O-CE2 3.41Å
363	A	85.3	Confident	89.2	Confident	31 Å²	31	44.9 Å²	44.9	26%	0.256	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-59.7	-36.9	-176.7	0	0	0	0	0	112.2	L353 L359 R360 A365	L353-A363 HydrophobicContact CB-CB 4.4Å; L359-A363 PolarHBondContact O-N 3.13Å; R360-A363 WeakPolarHBondContact O-CB 3.25Å; R360-A363 PolarHBondContact O-N 3.2Å; R360-A363 VanDerWaalsContact O-N 3.12Å; A363-A365 PolarHBondContact O-N 3.32Å
364	N	85	Confident	89.1	Confident	114 Å²	114	48.8 Å²	48.8	61%	0.61	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-75.2	-11.6	177.5	-72.4	-30	0	0	0	114.2	S362 F366 K469	S362-N364 PolarHBondContact O-N 3.02Å; N364-F366 PolarHBondContact O-N 3.39Å; N364-K469 VanDerWaalsContact O-CE 3.25Å; N364-K469 WeakPolarHBondContact O-CE 3.04Å; N364-K469 PolarHBondContact O-NZ 3.41Å
365	A	91.6	Very high	89.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-74	-9.2	-172.6	0	0	0	0	0	114	S362 A363 M420 V465 K469 L470	S362-A365 WeakPolarHBondContact O-CB 3.49Å; S362-A365 PolarHBondContact O-N 3.42Å; A363-A365 PolarHBondContact O-N 3.32Å; A365-M420 HydrophobicContact CB-CE 4.16Å; A365-M420 HydrophobicContact CB-CG 3.81Å; A365-V465 HydrophobicContact CB-CB 3.78Å; A365-V465 HydrophobicContact CB-CG1 3.62Å; A365-V465 HydrophobicContact CB-CG2 4.13Å; A365-K469 CarbonylContact O-C 3.58Å; A365-K469 VanDerWaalsContact O-CA 3.32Å; A365-K469 WeakPolarHBondContact O-CA 3.33Å; A365-L470 PolarHBondContact O-N 2.86Å
366	F	93.5	Very high	89	Confident	5 Å²	5	47.1 Å²	47.1	2%	0.022	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-123.7	124.8	-171.4	-53.7	-70.9	0	0	0	112	M349 L353 S362 N364 L368 M420 A423 M424 K469 L470 F473	M349-F366 HydrophobicContact CE-CD1 4.42Å; M349-F366 HydrophobicContact CE-CG 4.39Å; L353-F366 HydrophobicContact CD1-CD2 3.45Å; L353-F366 VanDerWaalsContact CD1-CD2 3.45Å; L353-F366 HydrophobicContact CD1-CE2 3.91Å; L353-F366 HydrophobicContact CD1-CG 4.39Å; L353-F366 HydrophobicContact CD2-CD2 4.17Å; L353-F366 HydrophobicContact CD2-CE2 3.75Å; L353-F366 HydrophobicContact CG-CD2 4.48Å; S362-F366 WeakPolarHBondContact O-CD2 3.04Å; S362-F366 WeakPolarHBondContact O-CE2 3.41Å; N364-F366 PolarHBondContact O-N 3.39Å; F366-L368 HydrophobicContact CB-CD1 4.05Å; F366-L368 HydrophobicContact CB-CD2 3.94Å; F366-L368 HydrophobicContact CB-CG 3.74Å; F366-L368 PolarHBondContact O-N 2.89Å; F366-L368 VanDerWaalsContact O-N 3.17Å; F366-M420 HydrophobicContact CE1-CB 4.19Å; F366-M420 HydrophobicContact CE1-CG 4.46Å; F366-M420 HydrophobicContact CZ-CB 4.27Å; F366-A423 HydrophobicContact CE2-CB 4.07Å; F366-A423 HydrophobicContact CZ-CB 4Å; F366-M424 HydrophobicContact CE1-CG 3.84Å; F366-M424 HydrophobicContact CE1-SD 4.19Å; F366-M424 HydrophobicContact CZ-CG 3.94Å; F366-K469 WeakPolarHBondContact O-CE 3.45Å; F366-L470 CarbonylContact C-O 3.59Å; F366-L470 WeakPolarHBondContact CA-O 3.1Å; F366-L470 HydrophobicContact CD1-CB 4.09Å; F366-L470 HydrophobicContact CD1-CD2 4.29Å; F366-L470 HydrophobicContact CE1-CB 4.47Å; F366-L470 HydrophobicContact CE1-CD2 4.13Å; F366-F473 HydrophobicContact CB-CE2 4.35Å; F366-F473 HydrophobicContact CB-CZ 4.24Å; F366-F473 HydrophobicContact CD1-CE2 4.4Å; F366-F473 AromaticContact CD1-CZ 3.65Å; F366-F473 HydrophobicContact CD1-CZ 3.65Å; F366-F473 HydrophobicContact CE1-CZ 4.41Å; F366-F473 HydrophobicContact CG-CZ 4.3Å
367	A	91.6	Very high	89	Confident	2 Å²	2	49.2 Å²	49.2	2%	0.017	24%	0.239	C	C	.	.			trans	-83.9	82.3	174.1	0	0	0	0	0	109.5	F315 Y386 L440 K469 L470	F315-A367 HydrophobicContact CZ-CB 4.25Å; A367-Y386 HydrophobicContact CB-CE2 4.34Å; A367-L440 HydrophobicContact CB-CD1 4.34Å; A367-K469 VanDerWaalsContact CA-CE 3.5Å; A367-K469 HydrophobicContact CB-CD 4.16Å; A367-K469 HydrophobicContact CB-CG 4.11Å; A367-L470 PolarHBondContact N-O 3.1Å
368	L	93	Very high	89.1	Confident	14 Å²	14	44.5 Å²	44.5	7%	0.073	22%	0.219	C	C	.	.			trans	-93.9	149	-176.3	-57.3	176.4	0	0	0	111.2	M349 R350 L353 F366 V370 F473	M349-L368 HydrophobicContact CB-CD1 3.77Å; M349-L368 HydrophobicContact CB-CD2 4.38Å; M349-L368 HydrophobicContact CE-CD2 4.18Å; M349-L368 HydrophobicContact SD-CD2 3.88Å; R350-L368 HydrophobicContact CG-CB 4.32Å; R350-L368 HydrophobicContact CG-CD1 3.61Å; L353-L368 HydrophobicContact CD1-CD1 4.15Å; F366-L368 HydrophobicContact CB-CD1 4.05Å; F366-L368 HydrophobicContact CB-CD2 3.94Å; F366-L368 HydrophobicContact CB-CG 3.74Å; F366-L368 PolarHBondContact O-N 2.89Å; F366-L368 VanDerWaalsContact O-N 3.17Å; L368-V370 PolarHBondContact O-N 3.46Å; L368-F473 HydrophobicContact CD2-CD1 4.5Å; L368-F473 HydrophobicContact CD2-CD2 3.85Å; L368-F473 HydrophobicContact CD2-CE1 4.43Å; L368-F473 HydrophobicContact CD2-CE2 3.77Å; L368-F473 HydrophobicContact CD2-CG 4.23Å; L368-F473 HydrophobicContact CD2-CZ 4.1Å
369	A	92.9	Very high	89.3	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.			trans	-67.4	119	180	0	0	0	0	0	110.9	F343 S346 R350 L381 T382 F383	F343-A369 HydrophobicContact CD2-CB 4.05Å; S346-A369 PolarHBondContact OG-N 2.89Å; S346-A369 VanDerWaalsContact OG-N 3.16Å; R350-A369 VanDerWaalsContact CZ-O 3.22Å; R350-A369 PolarHBondContact NH1-O 3.34Å; R350-A369 PolarHBondContact NH2-O 3.24Å; R350-A369 VanDerWaalsContact NH2-O 3.09Å; A369-L381 HydrophobicContact CB-CB 4.25Å; A369-L381 HydrophobicContact CB-CD1 4.35Å; A369-T382 CarbonylContact C-O 3.6Å; A369-F383 HydrophobicContact CB-CD1 4.16Å; A369-F383 HydrophobicContact CB-CE1 3.63Å; A369-F383 HydrophobicContact CB-CE2 4.35Å; A369-F383 HydrophobicContact CB-CZ 3.73Å
370	V	91.3	Very high	89.4	Confident	60 Å²	60	36.1 Å²	36.1	36%	0.364	19%	0.187	S	C	.	.			trans	-76.5	-51.8	-175.7	-177.1	0	0	0	0	111.2	R350 L368 T382	R350-V370 PolarHBondContact NH2-O 3.21Å; L368-V370 PolarHBondContact O-N 3.46Å; V370-T382 PolarHBondContact N-O 3.37Å
371	N	92	Very high	89.9	Confident	39 Å²	39	32.4 Å²	32.4	21%	0.209	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	155.9	-179.9	-48.7	-70.4	0	0	0	111	D280 Y373 L381 T382	D280-N371 WeakPolarHBondContact O-CA 3.21Å; N371-Y373 HydrophobicContact CB-CD2 4.49Å; N371-Y373 HydrophobicContact CB-CE2 3.76Å; N371-L381 WeakPolarHBondContact O-CA 3.48Å; N371-T382 VanDerWaalsContact CB-OG1 3.3Å; N371-T382 WeakPolarHBondContact CB-OG1 3.35Å; N371-T382 PolarHBondContact N-O 3.02Å; N371-T382 PolarHBondContact N-OG1 3.35Å; N371-T382 PolarHBondContact ND2-OG1 3.48Å; N371-T382 PolarHBondContact O-N 3.11Å
372	S	93	Very high	90.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.2	171.4	160.7	0	0	0	0	109.7	D280 C281 N282 E379	D280-S372 PolarHBondContact O-N 3.01Å; C281-S372 CarbonylContact C-O 3.57Å; C281-S372 WeakPolarHBondContact CA-O 2.93Å; N282-S372 PolarHBondContact N-O 3.38Å; S372-E379 VanDerWaalsContact CB-OE1 3.28Å; S372-E379 WeakPolarHBondContact CB-OE1 3.36Å; S372-E379 VanDerWaalsContact OG-CD 3.29Å; S372-E379 PolarHBondContact OG-OE1 3.09Å
373	Y	91.6	Very high	90.5	Very high	12 Å²	12	28.9 Å²	28.9	5%	0.047	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	110.7	171.8	-59	-94.3	0	0	0	108.8	N282 L284 L299 S300 N371 F375 E379 L380 T382	N282-Y373 HydrophobicContact CB-CD1 3.56Å; N282-Y373 HydrophobicContact CB-CE1 3.91Å; N282-Y373 HydrophobicContact CB-CG 4.37Å; N282-Y373 CarbonylContact O-C 3.53Å; N282-Y373 WeakPolarHBondContact O-CA 3.31Å; L284-Y373 HydrophobicContact CD1-CD1 4.14Å; L299-Y373 HydrophobicContact CB-CD1 4.46Å; L299-Y373 HydrophobicContact CB-CE1 3.85Å; L299-Y373 HydrophobicContact CB-CE2 4.35Å; L299-Y373 HydrophobicContact CD1-CE2 4.25Å; L299-Y373 HydrophobicContact CD2-CD1 4.14Å; L299-Y373 HydrophobicContact CD2-CD2 4.35Å; L299-Y373 HydrophobicContact CD2-CE1 4.36Å; L299-Y373 HydrophobicContact CD2-CG 4.13Å; S300-Y373 WeakPolarHBondContact OG-CE1 3.48Å; N371-Y373 HydrophobicContact CB-CD2 4.49Å; N371-Y373 HydrophobicContact CB-CE2 3.76Å; Y373-F375 WeakPolarHBondContact O-CD2 3.18Å; Y373-E379 CarbonylContact O-C 3.57Å; Y373-E379 WeakPolarHBondContact O-CA 3.12Å; Y373-L380 PolarHBondContact N-O 3.4Å; Y373-L380 PolarHBondContact O-N 3.26Å; Y373-T382 HydrophobicContact CD2-CG2 4.01Å; Y373-T382 HydrophobicContact CE2-CG2 3.59Å
374	K	90.4	Very high	90.6	Very high	84 Å²	84	29.2 Å²	29.2	37%	0.365	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	107.5	-177.8	-65.2	-173.5	176.1	-175.4	0	109.7	N282 K283 L284 E379	N282-K374 PolarHBondContact O-N 3.4Å; K283-K374 HydrophobicContact CG-CB 4.45Å; L284-K374 PolarHBondContact N-O 2.93Å; K374-E379 HydrophobicContact CG-CG 4.12Å
375	F	88.9	Confident	90.3	Very high	18 Å²	18	25 Å²	25	8%	0.079	14%	0.141	C	C	.	.			trans	-90	173.1	172.1	-65	-90.6	0	0	0	110	L284 S286 L288 L299 Y373 D377 C378 L380	L284-F375 HydrophobicContact CB-CD1 4.13Å; L284-F375 HydrophobicContact CB-CE1 4.18Å; L284-F375 HydrophobicContact CD1-CD1 4.16Å; L284-F375 HydrophobicContact CD1-CE1 3.45Å; L284-F375 VanDerWaalsContact CD1-CE1 3.45Å; L284-F375 HydrophobicContact CD1-CE2 4.04Å; L284-F375 HydrophobicContact CD1-CZ 3.38Å; L284-F375 HydrophobicContact CG-CE1 4.46Å; S286-F375 WeakPolarHBondContact O-CB 3.04Å; S286-F375 WeakPolarHBondContact O-CD1 3.23Å; L288-F375 HydrophobicContact CB-CB 4.29Å; L288-F375 HydrophobicContact CB-CD1 4.12Å; L288-F375 HydrophobicContact CB-CD2 4.15Å; L288-F375 HydrophobicContact CB-CG 3.92Å; L288-F375 HydrophobicContact CD1-CD1 4.34Å; L288-F375 HydrophobicContact CD1-CD2 3.73Å; L288-F375 HydrophobicContact CD1-CE1 3.98Å; L288-F375 HydrophobicContact CD1-CE2 3.33Å; L288-F375 HydrophobicContact CD1-CG 4.22Å; L288-F375 HydrophobicContact CD1-CZ 3.46Å; L288-F375 VanDerWaalsContact CD1-CZ 3.46Å; L288-F375 HydrophobicContact CG-CD2 4.5Å; L299-F375 HydrophobicContact CD2-CZ 4.31Å; Y373-F375 WeakPolarHBondContact O-CD2 3.18Å; F375-D377 PolarHBondContact O-N 3.21Å; F375-C378 CarbonylContact C-O 3.56Å; F375-C378 WeakPolarHBondContact CA-O 2.9Å; F375-C378 WeakPolarHBondContact CB-O 3.36Å; F375-C378 PolarHBondContact N-O 3.42Å; F375-L380 HydrophobicContact CD2-CB 4.33Å; F375-L380 HydrophobicContact CE2-CB 3.85Å; F375-L380 HydrophobicContact CE2-CD2 4.39Å
376	L	86.4	Confident	89.4	Confident	115 Å²	115	27.2 Å²	27.2	60%	0.602	15%	0.15	S	C	*	.	S	Bend	trans	-64.1	-28.6	179.5	-67.4	176.5	0	0	0	113.6	S286	S286-L376 PolarHBondContact O-N 2.84Å
377	D	86.7	Confident	88.3	Confident	83 Å²	83	35.8 Å²	35.8	44%	0.444	18%	0.182	S	C	.	.	S	Bend	trans	-112	-21.2	-172.3	48.8	3.8	0	0	0	114.4	H287 L288 F375	H287-D377 IonicContact CG-OD2 3.41Å; H287-D377 IonicContact ND1-OD2 3.02Å; H287-D377 PolarHBondContact ND1-OD2 3.03Å; L288-D377 PolarHBondContact N-OD1 3.04Å; F375-D377 PolarHBondContact O-N 3.21Å
378	C	88.6	Confident	87.4	Confident	16 Å²	16	37 Å²	37	11%	0.108	19%	0.188	C	C	.	.			trans	-158.9	178.1	-175	63.3	0	0	0	0	112.1	L288 V335 V336 F375	L288-C378 VanDerWaalsContact CB-SG 3.54Å; V335-C378 HydrophobicContact CG1-CB 4.04Å; V336-C378 WeakPolarHBondContact O-CB 3.16Å; F375-C378 CarbonylContact C-O 3.56Å; F375-C378 WeakPolarHBondContact CA-O 2.9Å; F375-C378 WeakPolarHBondContact CB-O 3.36Å; F375-C378 PolarHBondContact N-O 3.42Å
379	E	90.6	Very high	87	Confident	5 Å²	5	40.3 Å²	40.3	2%	0.023	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.8	172.2	178.9	171.4	-179.6	0	0	109.3	V336 S372 Y373 K374 L381	V336-E379 HydrophobicContact CG2-CB 3.82Å; V336-E379 HydrophobicContact CG2-CG 4.12Å; V336-E379 WeakPolarHBondContact CG2-O 3.49Å; V336-E379 PolarHBondContact N-O 3.11Å; V336-E379 PolarHBondContact O-N 3.22Å; S372-E379 VanDerWaalsContact CB-OE1 3.28Å; S372-E379 WeakPolarHBondContact CB-OE1 3.36Å; S372-E379 VanDerWaalsContact OG-CD 3.29Å; S372-E379 PolarHBondContact OG-OE1 3.09Å; Y373-E379 CarbonylContact O-C 3.57Å; Y373-E379 WeakPolarHBondContact O-CA 3.12Å; K374-E379 HydrophobicContact CG-CG 4.12Å; E379-L381 HydrophobicContact CG-CD2 3.78Å; E379-L381 WeakPolarHBondContact OE1-CD2 3.4Å
380	L	92	Very high	86.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114.4	176.6	-172.7	78.3	0	0	0	108.6	L288 M291 I297 L299 A333 V335 Y373 F375	L288-L380 HydrophobicContact CD1-CD2 4.31Å; M291-L380 HydrophobicContact CE-CD1 4.36Å; I297-L380 HydrophobicContact CD1-CD2 4.29Å; L299-L380 HydrophobicContact CD1-CD2 3.91Å; L299-L380 HydrophobicContact CD2-CD2 3.82Å; A333-L380 HydrophobicContact CB-CD1 3.99Å; A333-L380 HydrophobicContact CB-CD2 4.34Å; A333-L380 HydrophobicContact CB-CG 4.23Å; V335-L380 HydrophobicContact CG2-CD1 3.65Å; Y373-L380 PolarHBondContact N-O 3.4Å; Y373-L380 PolarHBondContact O-N 3.26Å; F375-L380 HydrophobicContact CD2-CB 4.33Å; F375-L380 HydrophobicContact CE2-CB 3.85Å; F375-L380 HydrophobicContact CE2-CD2 4.39Å
381	L	93	Very high	86.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.9	176.8	-57.1	-172.4	0	0	0	109.7	A333 K334 V336 E342 F343 A369 N371 E379 F383	A333-L381 CarbonylContact C-O 3.55Å; A333-L381 WeakPolarHBondContact CA-O 3.22Å; K334-L381 PolarHBondContact N-O 3.34Å; K334-L381 PolarHBondContact O-N 2.88Å; V336-L381 HydrophobicContact CG1-CD1 4.09Å; V336-L381 HydrophobicContact CG1-CG 4.37Å; V336-L381 HydrophobicContact CG2-CD1 3.98Å; V336-L381 HydrophobicContact CG2-CD2 4.44Å; V336-L381 HydrophobicContact CG2-CG 3.84Å; E342-L381 HydrophobicContact CB-CD1 4Å; E342-L381 HydrophobicContact CG-CD1 4.05Å; F343-L381 HydrophobicContact CB-CD1 4.46Å; F343-L381 HydrophobicContact CB-CD2 3.71Å; F343-L381 HydrophobicContact CD2-CD2 4.3Å; F343-L381 HydrophobicContact CG-CD2 4.26Å; A369-L381 HydrophobicContact CB-CB 4.25Å; A369-L381 HydrophobicContact CB-CD1 4.35Å; N371-L381 WeakPolarHBondContact O-CA 3.48Å; E379-L381 HydrophobicContact CG-CD2 3.78Å; E379-L381 WeakPolarHBondContact OE1-CD2 3.4Å; L381-F383 HydrophobicContact CB-CE2 3.76Å; L381-F383 HydrophobicContact CB-CZ 4.17Å
382	T	92.9	Very high	86.8	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.018	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138	175.4	65	0	0	0	0	111.5	L299 I331 Y332 A369 V370 N371 Y373	L299-T382 HydrophobicContact CD1-CG2 4.23Å; I331-T382 HydrophobicContact CD1-CG2 3.91Å; Y332-T382 CarbonylContact O-C 3.57Å; Y332-T382 VanDerWaalsContact O-CA 3.22Å; Y332-T382 WeakPolarHBondContact O-CA 3.04Å; A369-T382 CarbonylContact C-O 3.6Å; V370-T382 PolarHBondContact N-O 3.37Å; N371-T382 VanDerWaalsContact CB-OG1 3.3Å; N371-T382 WeakPolarHBondContact CB-OG1 3.35Å; N371-T382 PolarHBondContact N-O 3.02Å; N371-T382 PolarHBondContact N-OG1 3.35Å; N371-T382 PolarHBondContact ND2-OG1 3.48Å; N371-T382 PolarHBondContact O-N 3.11Å; Y373-T382 HydrophobicContact CD2-CG2 4.01Å; Y373-T382 HydrophobicContact CE2-CG2 3.59Å
383	F	91.2	Very high	86.6	Confident	6 Å²	6	41 Å²	41	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	154	176.2	-53.1	-106.9	0	0	0	109	F315 I331 Y332 K334 A369 L381 G385	F315-F383 HydrophobicContact CE1-CB 4.4Å; F315-F383 HydrophobicContact CE1-CD1 4.32Å; F315-F383 HydrophobicContact CE1-CG 4.19Å; I331-F383 WeakPolarHBondContact CB-O 3.44Å; Y332-F383 PolarHBondContact N-O 3.49Å; Y332-F383 PolarHBondContact O-N 3.5Å; K334-F383 HydrophobicContact CB-CE2 3.84Å; K334-F383 HydrophobicContact CD-CE2 4.28Å; K334-F383 HydrophobicContact CD-CZ 4.42Å; A369-F383 HydrophobicContact CB-CD1 4.16Å; A369-F383 HydrophobicContact CB-CE1 3.63Å; A369-F383 HydrophobicContact CB-CE2 4.35Å; A369-F383 HydrophobicContact CB-CZ 3.73Å; L381-F383 HydrophobicContact CB-CE2 3.76Å; L381-F383 HydrophobicContact CB-CZ 4.17Å; F383-G385 PolarHBondContact O-N 2.78Å
384	A	86.9	Confident	86.6	Confident	37 Å²	37	40.5 Å²	40.5	31%	0.306	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	134.7	171.3	0	0	0	0	0	110.3	Y332 Y386	Y332-A384 WeakPolarHBondContact CD2-O 3.22Å; A384-Y386 HydrophobicContact CB-CE2 3.91Å; A384-Y386 WeakPolarHBondContact CB-OH 3.19Å; A384-Y386 WeakPolarHBondContact O-CD2 3.23Å; A384-Y386 WeakPolarHBondContact O-CE2 3.28Å
385	G	77.8	Confident	86.7	Confident	25 Å²	25	36.6 Å²	36.6	26%	0.258	19%	0.185	S	C	.	.			trans	-72.3	134.5	176	0	0	0	0	0	111.2	F330 F383	F330-G385 VanDerWaalsContact O-CA 3.23Å; F330-G385 WeakPolarHBondContact O-CA 2.99Å; F330-G385 PolarHBondContact O-N 2.89Å; F383-G385 PolarHBondContact O-N 2.78Å
386	Y	73.6	Confident	86.9	Confident	47 Å²	47	38.9 Å²	38.9	18%	0.184	20%	0.2	C	C	.	.			trans	-128.7	128.8	177.5	-64	-69.7	0	0	0	108.6	F330 Y332 A367 A384 N388 L440 K469	F330-Y386 WeakPolarHBondContact CZ-O 3.26Å; Y332-Y386 HydrophobicContact CE2-CD2 4.35Å; Y332-Y386 VanDerWaalsContact CE2-N 3.31Å; Y332-Y386 PolarHBondContact OH-O 3.45Å; A367-Y386 HydrophobicContact CB-CE2 4.34Å; A384-Y386 HydrophobicContact CB-CE2 3.91Å; A384-Y386 WeakPolarHBondContact CB-OH 3.19Å; A384-Y386 WeakPolarHBondContact O-CD2 3.23Å; A384-Y386 WeakPolarHBondContact O-CE2 3.28Å; Y386-N388 PolarHBondContact O-N 3.17Å; Y386-L440 HydrophobicContact CD2-CD1 4.37Å; Y386-K469 HydrophobicContact CE1-CD 4.13Å; Y386-K469 HydrophobicContact CE2-CD 3.98Å; Y386-K469 VanDerWaalsContact OH-CE 3.28Å; Y386-K469 WeakPolarHBondContact OH-CE 3.16Å; Y386-K469 PolarHBondContact OH-NZ 2.6Å
387	R	70.7	Confident	87.1	Confident	186 Å²	186	34.8 Å²	34.8	70%	0.702	18%	0.18	S	C	*	.			trans	-77.5	27.5	176.5	-66	-172.7	-177.7	170.2	5.4	112.8	F330	F330-R387 HydrophobicContact CE1-CG 3.63Å; F330-R387 HydrophobicContact CZ-CG 4.11Å
388	N	72.8	Confident	87.4	Confident	26 Å²	26	31.1 Å²	31.1	14%	0.139	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-97.2	140.8	-161.5	-66.7	-7.9	0	0	0	110.9	Y386 L440 F441 N442	Y386-N388 PolarHBondContact O-N 3.17Å; N388-L440 HydrophobicContact CB-CB 4.27Å; N388-F441 WeakPolarHBondContact CB-O 3.43Å; N388-F441 PolarHBondContact ND2-O 3.08Å; N388-F441 PolarHBondContact OD1-O 2.8Å; N388-N442 WeakPolarHBondContact ND2-CA 2.89Å; N388-N442 PolarHBondContact ND2-OD1 3.25Å
389	R	83.5	Confident	87.6	Confident	84 Å²	84	34.1 Å²	34.1	32%	0.317	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-84	157.1	168.3	-71.8	-175.4	179.7	155.5	5.6	110.2	E393 V394 F441 I579	R389-E393 HydrophobicContact CB-CB 4.19Å; R389-V394 HydrophobicContact CB-CG2 4.05Å; R389-F441 PolarHBondContact O-N 2.87Å; R389-I579 PolarHBondContact NH1-O 3.23Å
390	S	89.4	Confident	87.7	Confident	4 Å²	4	36.6 Å²	36.6	3%	0.028	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-64.3	150.2	164.6	63.7	0	0	0	0	110.1	A392 E393 V394 G437 L439	S390-A392 PolarHBondContact O-N 3.32Å; S390-E393 PolarHBondContact N-OE2 3.31Å; S390-E393 WeakPolarHBondContact O-CB 3.49Å; S390-E393 PolarHBondContact O-N 2.82Å; S390-E393 VanDerWaalsContact OG-CD 3.26Å; S390-E393 WeakPolarHBondContact OG-CG 3.21Å; S390-E393 PolarHBondContact OG-N 2.95Å; S390-E393 PolarHBondContact OG-OE2 3.4Å; S390-V394 PolarHBondContact O-N 2.85Å; S390-G437 WeakPolarHBondContact CB-O 3.28Å; S390-L439 CarbonylContact C-O 3.51Å; S390-L439 WeakPolarHBondContact CA-O 3.48Å
391	L	91.9	Very high	87.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-31	175.3	-173.6	58.2	0	0	0	110	V394 M395 F413 L436 L439 F441 L468	L391-V394 PolarHBondContact O-N 3.17Å; L391-M395 HydrophobicContact CD1-CG 4.23Å; L391-M395 HydrophobicContact CD1-SD 4.44Å; L391-M395 HydrophobicContact CG-CG 4.29Å; L391-M395 WeakPolarHBondContact O-CB 3.42Å; L391-M395 VanDerWaalsContact O-CG 3.23Å; L391-M395 WeakPolarHBondContact O-CG 3.36Å; L391-M395 PolarHBondContact O-N 3.27Å; L391-F413 HydrophobicContact CD1-CE2 4.11Å; L391-F413 HydrophobicContact CD1-CZ 4.1Å; L391-L436 HydrophobicContact CB-CD2 4.46Å; L391-L436 HydrophobicContact CD2-CD2 3.74Å; L391-L436 HydrophobicContact CG-CD2 4.05Å; L391-L436 PolarHBondContact N-O 3.08Å; L391-L439 HydrophobicContact CB-CB 4.01Å; L391-L439 WeakPolarHBondContact CB-O 3.46Å; L391-L439 HydrophobicContact CD2-CB 4.36Å; L391-L439 HydrophobicContact CD2-CD1 4.13Å; L391-L439 PolarHBondContact N-O 3.43Å; L391-F441 HydrophobicContact CD1-CD2 4.15Å; L391-L468 HydrophobicContact CD1-CD2 4.3Å; L391-L468 HydrophobicContact CD2-CD1 4.33Å; L391-L468 HydrophobicContact CD2-CD2 4.03Å
392	A	91.2	Very high	87.7	Confident	30 Å²	30	50.5 Å²	50.5	25%	0.248	24%	0.243	C	C	.	.	H	α-helix	trans	-55.7	-50.4	170.4	0	0	0	0	0	112.2	S390 M395 V396 L436	S390-A392 PolarHBondContact O-N 3.32Å; A392-M395 PolarHBondContact O-N 3.41Å; A392-V396 VanDerWaalsContact O-CG2 3.28Å; A392-V396 WeakPolarHBondContact O-CG2 3.29Å; A392-V396 PolarHBondContact O-N 3.37Å; A392-L436 HydrophobicContact CB-CB 3.81Å; A392-L436 PolarHBondContact N-O 3.06Å
393	E	89.3	Confident	87.6	Confident	80 Å²	80	52.2 Å²	52.2	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-65.4	-39.2	178.9	-70.8	162.7	140	0	0	112.4	R389 S390 V396 T397	R389-E393 HydrophobicContact CB-CB 4.19Å; S390-E393 PolarHBondContact N-OE2 3.31Å; S390-E393 WeakPolarHBondContact O-CB 3.49Å; S390-E393 PolarHBondContact O-N 2.82Å; S390-E393 VanDerWaalsContact OG-CD 3.26Å; S390-E393 WeakPolarHBondContact OG-CG 3.21Å; S390-E393 PolarHBondContact OG-N 2.95Å; S390-E393 PolarHBondContact OG-OE2 3.4Å; E393-V396 PolarHBondContact O-N 2.72Å; E393-T397 PolarHBondContact O-N 2.95Å; E393-T397 PolarHBondContact O-OG1 2.75Å
394	V	91.2	Very high	87.6	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-49.7	174.7	175.7	0	0	0	0	110	R389 S390 L391 V396 T397 V398 F441 L576	R389-V394 HydrophobicContact CB-CG2 4.05Å; S390-V394 PolarHBondContact O-N 2.85Å; L391-V394 PolarHBondContact O-N 3.17Å; V394-V396 PolarHBondContact O-N 2.86Å; V394-T397 WeakPolarHBondContact O-CA 3.48Å; V394-T397 WeakPolarHBondContact O-CB 3.31Å; V394-T397 PolarHBondContact O-N 3.43Å; V394-V398 HydrophobicContact CG1-CG2 4.43Å; V394-V398 WeakPolarHBondContact O-CG2 3.49Å; V394-V398 PolarHBondContact O-N 3.29Å; V394-F441 HydrophobicContact CG2-CB 3.94Å; V394-F441 HydrophobicContact CG2-CG 4.18Å; V394-L576 HydrophobicContact CG1-CD2 3.95Å
395	M	92.8	Very high	87.9	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-67.4	-34.2	-178.7	-67	-48.6	-55.7	0	0	113	L391 A392 T397 V398 R399 L405 F410 F413 C500	L391-M395 HydrophobicContact CD1-CG 4.23Å; L391-M395 HydrophobicContact CD1-SD 4.44Å; L391-M395 HydrophobicContact CG-CG 4.29Å; L391-M395 WeakPolarHBondContact O-CB 3.42Å; L391-M395 VanDerWaalsContact O-CG 3.23Å; L391-M395 WeakPolarHBondContact O-CG 3.36Å; L391-M395 PolarHBondContact O-N 3.27Å; A392-M395 PolarHBondContact O-N 3.41Å; M395-T397 VanDerWaalsContact C-N 3.3Å; M395-V398 HydrophobicContact CE-CB 4.45Å; M395-V398 HydrophobicContact CE-CG1 4.24Å; M395-V398 PolarHBondContact O-N 3.37Å; M395-R399 WeakPolarHBondContact O-CG 3.47Å; M395-R399 PolarHBondContact O-N 3.23Å; M395-L405 HydrophobicContact CE-CD1 4.18Å; M395-L405 HydrophobicContact SD-CD1 4.46Å; M395-F410 HydrophobicContact CE-CE1 3.9Å; M395-F410 HydrophobicContact CE-CZ 4.28Å; M395-F413 HydrophobicContact SD-CE2 4.29Å; M395-C500 WeakPolarHBondContact CE-O 3.32Å
396	V	91.8	Very high	88.6	Confident	65 Å²	65	60.8 Å²	60.8	39%	0.394	28%	0.276	S	S	.	.	H	α-helix	trans	-60	-44	169.4	167	0	0	0	0	110.3	A392 E393 V394 R399 L400	A392-V396 VanDerWaalsContact O-CG2 3.28Å; A392-V396 WeakPolarHBondContact O-CG2 3.29Å; A392-V396 PolarHBondContact O-N 3.37Å; E393-V396 PolarHBondContact O-N 2.72Å; V394-V396 PolarHBondContact O-N 2.86Å; V396-R399 PolarHBondContact O-N 3.38Å; V396-L400 HydrophobicContact CG1-CD1 3.72Å; V396-L400 HydrophobicContact CG1-CG 4.33Å; V396-L400 WeakPolarHBondContact O-CB 3.09Å; V396-L400 VanDerWaalsContact O-CG 3.27Å; V396-L400 WeakPolarHBondContact O-CG 3.24Å; V396-L400 PolarHBondContact O-N 3.23Å
397	T	91.8	Very high	89.7	Confident	30 Å²	30	58.9 Å²	58.9	18%	0.184	27%	0.269	C	S	.	.	H	α-helix	trans	-66.6	-42.3	179.3	-54.3	0	0	0	0	112.4	E393 V394 M395 R399 L400 K401 I579	E393-T397 PolarHBondContact O-N 2.95Å; E393-T397 PolarHBondContact O-OG1 2.75Å; V394-T397 WeakPolarHBondContact O-CA 3.48Å; V394-T397 WeakPolarHBondContact O-CB 3.31Å; V394-T397 PolarHBondContact O-N 3.43Å; M395-T397 VanDerWaalsContact C-N 3.3Å; T397-R399 VanDerWaalsContact C-N 3.31Å; T397-R399 PolarHBondContact O-N 2.85Å; T397-L400 PolarHBondContact O-N 2.87Å; T397-K401 HydrophobicContact CG2-CD 4.13Å; T397-K401 HydrophobicContact CG2-CG 4.41Å; T397-K401 WeakPolarHBondContact O-CB 3.04Å; T397-K401 WeakPolarHBondContact O-CG 3.4Å; T397-K401 PolarHBondContact O-N 2.81Å; T397-I579 HydrophobicContact CG2-CG2 3.45Å; T397-I579 VanDerWaalsContact CG2-CG2 3.45Å
398	V	93	Very high	90.9	Very high	5 Å²	5	50 Å²	50	3%	0.03	24%	0.235	C	C	.	.	H	α-helix	trans	-55	-47.1	173.4	167	0	0	0	0	110.7	V394 M395 K401 K402 I403 L405 L576 I579	V394-V398 HydrophobicContact CG1-CG2 4.43Å; V394-V398 WeakPolarHBondContact O-CG2 3.49Å; V394-V398 PolarHBondContact O-N 3.29Å; M395-V398 HydrophobicContact CE-CB 4.45Å; M395-V398 HydrophobicContact CE-CG1 4.24Å; M395-V398 PolarHBondContact O-N 3.37Å; V398-K401 PolarHBondContact O-N 2.98Å; V398-K402 PolarHBondContact O-N 3.36Å; V398-K402 VanDerWaalsContact O-N 3.1Å; V398-I403 HydrophobicContact CG1-CB 4.02Å; V398-I403 HydrophobicContact CG1-CG2 4.37Å; V398-I403 WeakPolarHBondContact CG1-O 3.44Å; V398-I403 PolarHBondContact O-N 2.64Å; V398-L405 HydrophobicContact CG1-CD1 3.85Å; V398-L405 HydrophobicContact CG1-CG 4.05Å; V398-L405 HydrophobicContact CG2-CD1 4.29Å; V398-L576 HydrophobicContact CG2-CD2 3.58Å; V398-I579 HydrophobicContact CG2-CD1 4.27Å
399	R	92.2	Very high	91.9	Very high	79 Å²	79	48.8 Å²	48.8	30%	0.298	23%	0.228	S	C	.	.	H	α-helix	trans	-66.7	-44.9	178.3	-69.9	177	-165.9	110.7	8.9	112.5	M395 V396 T397 K401 K402 S499 C500	M395-R399 WeakPolarHBondContact O-CG 3.47Å; M395-R399 PolarHBondContact O-N 3.23Å; V396-R399 PolarHBondContact O-N 3.38Å; T397-R399 VanDerWaalsContact C-N 3.31Å; T397-R399 PolarHBondContact O-N 2.85Å; R399-K401 VanDerWaalsContact C-N 3.29Å; R399-K401 PolarHBondContact O-N 3.4Å; R399-K402 PolarHBondContact O-N 2.91Å; R399-S499 PolarHBondContact NH2-O 3.04Å; R399-C500 PolarHBondContact NH2-O 3.34Å
400	L	92	Very high	92.5	Very high	57 Å²	57	45.3 Å²	45.3	30%	0.298	22%	0.216	S	C	.	.	H	α-helix	trans	-58.9	-41.1	176.9	-75.9	167.4	0	0	0	111.9	V96 G97 V396 T397 K402	V96-L400 HydrophobicContact CB-CD2 4.41Å; V96-L400 HydrophobicContact CG1-CD2 3.4Å; V96-L400 HydrophobicContact CG1-CG 4.35Å; G97-L400 VanDerWaalsContact N-CD2 3.31Å; V396-L400 HydrophobicContact CG1-CD1 3.72Å; V396-L400 HydrophobicContact CG1-CG 4.33Å; V396-L400 WeakPolarHBondContact O-CB 3.09Å; V396-L400 VanDerWaalsContact O-CG 3.27Å; V396-L400 WeakPolarHBondContact O-CG 3.24Å; V396-L400 PolarHBondContact O-N 3.23Å; T397-L400 PolarHBondContact O-N 2.87Å; L400-K402 PolarHBondContact O-N 2.66Å
401	K	93.3	Very high	92.8	Very high	110 Å²	110	45.1 Å²	45.1	48%	0.478	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-0.9	176.3	-68.3	-175.7	177.1	180	0	113.4	T397 V398 R399 I403	T397-K401 HydrophobicContact CG2-CD 4.13Å; T397-K401 HydrophobicContact CG2-CG 4.41Å; T397-K401 WeakPolarHBondContact O-CB 3.04Å; T397-K401 WeakPolarHBondContact O-CG 3.4Å; T397-K401 PolarHBondContact O-N 2.81Å; V398-K401 PolarHBondContact O-N 2.98Å; R399-K401 VanDerWaalsContact C-N 3.29Å; R399-K401 PolarHBondContact O-N 3.4Å; K401-I403 HydrophobicContact CB-CD1 3.73Å; K401-I403 HydrophobicContact CB-CG1 3.77Å; K401-I403 HydrophobicContact CD-CD1 3.97Å; K401-I403 PolarHBondContact O-N 2.84Å
402	K	91.6	Very high	93	Very high	182 Å²	182	45.2 Å²	45.2	79%	0.791	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	34	-176.1	-58.4	-178.1	178.8	-179.6	0	113.2	V398 R399 L400 K404	V398-K402 PolarHBondContact O-N 3.36Å; V398-K402 VanDerWaalsContact O-N 3.1Å; R399-K402 PolarHBondContact O-N 2.91Å; L400-K402 PolarHBondContact O-N 2.66Å; K402-K404 PolarHBondContact O-N 2.82Å
403	I	91.7	Very high	93.2	Very high	40 Å²	40	43.8 Å²	43.8	21%	0.205	20%	0.203	C	C	.	.			trans	-74.9	123.7	177.5	-64.5	169.6	0	0	0	107.8	V398 K401 L405 L575 I579	V398-I403 HydrophobicContact CG1-CB 4.02Å; V398-I403 HydrophobicContact CG1-CG2 4.37Å; V398-I403 WeakPolarHBondContact CG1-O 3.44Å; V398-I403 PolarHBondContact O-N 2.64Å; K401-I403 HydrophobicContact CB-CD1 3.73Å; K401-I403 HydrophobicContact CB-CG1 3.77Å; K401-I403 HydrophobicContact CD-CD1 3.97Å; K401-I403 PolarHBondContact O-N 2.84Å; I403-L405 HydrophobicContact CG2-CD2 3.93Å; I403-L405 HydrophobicContact CG2-CG 4.37Å; I403-L575 HydrophobicContact CD1-CD2 4.26Å; I403-L575 HydrophobicContact CG2-CD2 3.75Å; I403-I579 HydrophobicContact CD1-CD1 3.47Å; I403-I579 VanDerWaalsContact CD1-CD1 3.47Å
404	K	90.4	Very high	93.5	Very high	195 Å²	195	40 Å²	40	85%	0.848	19%	0.185	S	C	*	.			trans	-92.2	111.8	174.4	-66.2	-175.4	178.3	-177.1	0	108.4	K402	K402-K404 PolarHBondContact O-N 2.82Å
405	L	93.3	Very high	93.7	Very high	16 Å²	16	40 Å²	40	8%	0.084	19%	0.185	C	C	.	.			trans	-89.6	145.1	174.5	-61	174.2	0	0	0	110.3	M395 V398 I403 I409 F410 E572 L576	M395-L405 HydrophobicContact CE-CD1 4.18Å; M395-L405 HydrophobicContact SD-CD1 4.46Å; V398-L405 HydrophobicContact CG1-CD1 3.85Å; V398-L405 HydrophobicContact CG1-CG 4.05Å; V398-L405 HydrophobicContact CG2-CD1 4.29Å; I403-L405 HydrophobicContact CG2-CD2 3.93Å; I403-L405 HydrophobicContact CG2-CG 4.37Å; L405-I409 HydrophobicContact CB-CB 4.49Å; L405-I409 HydrophobicContact CD1-CG2 4.2Å; L405-F410 HydrophobicContact CB-CE2 3.7Å; L405-F410 HydrophobicContact CB-CZ 3.88Å; L405-F410 HydrophobicContact CD1-CZ 4.1Å; L405-E572 HydrophobicContact CD2-CB 4.17Å; L405-E572 HydrophobicContact CD2-CG 4.33Å; L405-L576 HydrophobicContact CD1-CD1 4.48Å; L405-L576 HydrophobicContact CD1-CD2 4.25Å; L405-L576 HydrophobicContact CD2-CD2 4.36Å; L405-L576 HydrophobicContact CD2-CG 4.42Å
406	H	94	Very high	93.8	Very high	36 Å²	36	39.8 Å²	39.8	17%	0.167	18%	0.184	C	C	.	.			trans	-73.9	154.1	176.6	-158.1	-81.8	0	0	0	111.4	G408 I409 F410 W565 Q568 E572	H406-G408 PolarHBondContact ND1-N 2.96Å; H406-G408 PolarHBondContact O-N 3.14Å; H406-I409 PolarHBondContact O-N 2.87Å; H406-F410 WeakPolarHBondContact O-CD2 3.06Å; H406-W565 AromaticContact CE1-CD1 3.44Å; H406-W565 VanDerWaalsContact CE1-CD1 3.44Å; H406-W565 AromaticContact CE1-CD2 3.07Å; H406-W565 AromaticContact CE1-CE2 3.14Å; H406-W565 AromaticContact CE1-CE3 3.62Å; H406-W565 AromaticContact CE1-CG 3.29Å; H406-W565 AromaticContact CE1-CZ2 3.72Å; H406-W565 AromaticContact CE1-NE1 3.35Å; H406-W565 PolarHBondContact CE1-NE1 3.3Å; H406-W565 AromaticContact ND1-CD1 3.7Å; H406-W565 AromaticContact ND1-CD2 3.61Å; H406-W565 AromaticContact ND1-CG 3.38Å; H406-W565 AromaticContact NE2-CD2 3.62Å; H406-W565 AromaticContact NE2-CE2 3.7Å; H406-W565 AromaticContact NE2-CE3 3.68Å; H406-W565 AromaticContact NE2-CH2 3.9Å; H406-W565 AromaticContact NE2-CZ2 3.85Å; H406-W565 AromaticContact NE2-CZ3 3.83Å; H406-Q568 HydrophobicContact CB-CG 3.73Å; H406-E572 WeakPolarHBondContact CB-OE1 3.39Å; H406-E572 WeakPolarHBondContact CB-OE2 3.16Å; H406-E572 VanDerWaalsContact N-CD 3.34Å; H406-E572 PolarHBondContact N-OE1 3.25Å; H406-E572 PolarHBondContact N-OE2 3.11Å
407	E	95.4	Very high	94	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.033	17%	0.166	C	C	.	.	H	α-helix	trans	-48.9	-34.6	174.4	-171.2	179.3	176.9	0	0	112.7	I409 F410 A411 W527 N528 W532 V561	E407-I409 VanDerWaalsContact C-N 3.28Å; E407-I409 PolarHBondContact O-N 3.24Å; E407-F410 PolarHBondContact O-N 3.3Å; E407-A411 WeakPolarHBondContact O-CB 3.29Å; E407-A411 PolarHBondContact O-N 2.74Å; E407-W527 HydrophobicContact CB-CD2 3.73Å; E407-W527 HydrophobicContact CB-CE3 4.28Å; E407-W527 HydrophobicContact CB-CG 3.87Å; E407-W527 HydrophobicContact CB-CZ2 4.29Å; E407-W527 HydrophobicContact CG-CB 4.33Å; E407-W527 HydrophobicContact CG-CD2 3.76Å; E407-W527 HydrophobicContact CG-CE3 3.9Å; E407-W527 HydrophobicContact CG-CG 3.96Å; E407-W527 VanDerWaalsContact OE2-CA 3.26Å; E407-W527 WeakPolarHBondContact OE2-CA 3.33Å; E407-W527 WeakPolarHBondContact OE2-CB 3.18Å; E407-N528 PolarHBondContact OE1-N 3.36Å; E407-N528 PolarHBondContact OE2-N 3.24Å; E407-W532 HydrophobicContact CG-CZ2 4.19Å; E407-W532 VanDerWaalsContact OE1-CD1 3.31Å; E407-W532 PolarHBondContact OE1-NE1 3.29Å; E407-V561 HydrophobicContact CG-CG1 3.92Å
408	G	95.6	Very high	94.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.5	-31.5	-178.2	0	0	0	0	0	113.4	H406 Y412 V569	H406-G408 PolarHBondContact ND1-N 2.96Å; H406-G408 PolarHBondContact O-N 3.14Å; G408-Y412 WeakPolarHBondContact O-CB 3.35Å; G408-Y412 PolarHBondContact O-N 3.17Å; G408-V569 VanDerWaalsContact C-CG2 3.45Å
409	I	94.9	Very high	94.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.3	-45.5	176.5	-69.6	-69.7	0	0	0	110.6	L405 H406 E407 Y412 F413 V569 E572 L573 L576	L405-I409 HydrophobicContact CB-CB 4.49Å; L405-I409 HydrophobicContact CD1-CG2 4.2Å; H406-I409 PolarHBondContact O-N 2.87Å; E407-I409 VanDerWaalsContact C-N 3.28Å; E407-I409 PolarHBondContact O-N 3.24Å; I409-Y412 PolarHBondContact O-N 3.3Å; I409-Y412 VanDerWaalsContact O-N 3.16Å; I409-F413 HydrophobicContact CG2-CD2 4.19Å; I409-F413 HydrophobicContact CG2-CE1 4.13Å; I409-F413 HydrophobicContact CG2-CE2 3.65Å; I409-F413 HydrophobicContact CG2-CZ 3.62Å; I409-F413 WeakPolarHBondContact O-CG 3.48Å; I409-F413 PolarHBondContact O-N 3.3Å; I409-V569 HydrophobicContact CD1-CB 4.4Å; I409-V569 HydrophobicContact CD1-CG1 4.05Å; I409-E572 HydrophobicContact CD1-CB 3.69Å; I409-E572 HydrophobicContact CG1-CB 3.72Å; I409-E572 WeakPolarHBondContact CG1-OE2 3.35Å; I409-L573 HydrophobicContact CD1-CD2 3.91Å; I409-L573 HydrophobicContact CD1-CG 3.69Å; I409-L576 HydrophobicContact CG2-CD1 4.09Å
410	F	95.6	Very high	94.3	Very high	12 Å²	12	32 Å²	32	5%	0.053	14%	0.144	C	C	.	.	H	α-helix	trans	-68.9	-37	179	-58.1	-76.9	0	0	0	111.8	M395 L405 H406 E407 Y412 F413 L414 C500 I501 W527 W532	M395-F410 HydrophobicContact CE-CE1 3.9Å; M395-F410 HydrophobicContact CE-CZ 4.28Å; L405-F410 HydrophobicContact CB-CE2 3.7Å; L405-F410 HydrophobicContact CB-CZ 3.88Å; L405-F410 HydrophobicContact CD1-CZ 4.1Å; H406-F410 WeakPolarHBondContact O-CD2 3.06Å; E407-F410 PolarHBondContact O-N 3.3Å; F410-Y412 VanDerWaalsContact C-N 3.3Å; F410-Y412 PolarHBondContact O-N 2.89Å; F410-F413 HydrophobicContact CD1-CD2 4.4Å; F410-F413 PolarHBondContact O-N 2.66Å; F410-L414 WeakPolarHBondContact O-CB 3.32Å; F410-L414 PolarHBondContact O-N 2.86Å; F410-C500 HydrophobicContact CD1-CB 3.88Å; F410-C500 HydrophobicContact CE1-CB 3.98Å; F410-I501 HydrophobicContact CB-CD1 4.33Å; F410-I501 HydrophobicContact CB-CG1 4.05Å; F410-I501 HydrophobicContact CD1-CG1 3.63Å; F410-I501 HydrophobicContact CD2-CG1 4.36Å; F410-I501 HydrophobicContact CE1-CG1 4.12Å; F410-I501 HydrophobicContact CG-CG1 3.75Å; F410-W527 HydrophobicContact CB-CH2 4.46Å; F410-W527 AromaticContact CD2-CH2 3.18Å; F410-W527 HydrophobicContact CD2-CH2 3.18Å; F410-W527 AromaticContact CD2-CZ2 3.63Å; F410-W527 HydrophobicContact CD2-CZ2 3.63Å; F410-W527 HydrophobicContact CD2-CZ3 4.13Å; F410-W527 AromaticContact CE2-CH2 3.44Å; F410-W527 HydrophobicContact CE2-CH2 3.44Å; F410-W527 VanDerWaalsContact CE2-CH2 3.44Å; F410-W527 AromaticContact CE2-CZ2 3.66Å; F410-W527 HydrophobicContact CE2-CZ2 3.66Å; F410-W527 AromaticContact CG-CH2 3.93Å; F410-W527 HydrophobicContact CG-CH2 3.93Å; F410-W527 HydrophobicContact CZ-CH2 4.37Å; F410-W532 HydrophobicContact CB-CH2 4.06Å; F410-W532 HydrophobicContact CB-CZ2 4.12Å
411	A	96.5	Very high	94.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.5	-42.2	169.8	0	0	0	0	0	111.1	E407 L414 L415 F558 V561 V562	E407-A411 WeakPolarHBondContact O-CB 3.29Å; E407-A411 PolarHBondContact O-N 2.74Å; A411-L414 WeakPolarHBondContact O-CB 3.24Å; A411-L414 PolarHBondContact O-N 2.05Å; A411-L415 WeakPolarHBondContact O-CG 3.27Å; A411-L415 PolarHBondContact O-N 2.76Å; A411-F558 HydrophobicContact CB-CB 4.26Å; A411-F558 HydrophobicContact CB-CD1 3.68Å; A411-F558 HydrophobicContact CB-CG 4.39Å; A411-V561 HydrophobicContact CB-CB 4.07Å; A411-V561 HydrophobicContact CB-CG1 3.77Å; A411-V562 HydrophobicContact CB-CG2 3.74Å
412	Y	95.1	Very high	94.3	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-67.7	-43.5	178.1	-171.8	-106.8	0	0	0	112.9	G408 I409 F410 L414 L415 E416 F447 F451 L467 V562	G408-Y412 WeakPolarHBondContact O-CB 3.35Å; G408-Y412 PolarHBondContact O-N 3.17Å; I409-Y412 PolarHBondContact O-N 3.3Å; I409-Y412 VanDerWaalsContact O-N 3.16Å; F410-Y412 VanDerWaalsContact C-N 3.3Å; F410-Y412 PolarHBondContact O-N 2.89Å; Y412-L414 PolarHBondContact O-N 3.24Å; Y412-L415 PolarHBondContact O-N 2.97Å; Y412-L415 VanDerWaalsContact O-N 3.13Å; Y412-E416 HydrophobicContact CE1-CG 4.12Å; Y412-E416 PolarHBondContact O-N 3.49Å; Y412-E416 VanDerWaalsContact O-N 3.12Å; Y412-E416 PolarHBondContact OH-OE1 3.15Å; Y412-E416 VanDerWaalsContact OH-OE1 3.13Å; Y412-F447 HydrophobicContact CD1-CZ 4.38Å; Y412-F447 HydrophobicContact CE1-CE1 4.22Å; Y412-F447 AromaticContact CE1-CE2 3.97Å; Y412-F447 HydrophobicContact CE1-CE2 3.97Å; Y412-F447 AromaticContact CE1-CZ 3.38Å; Y412-F447 HydrophobicContact CE1-CZ 3.38Å; Y412-F447 HydrophobicContact CE2-CZ 4.49Å; Y412-F447 AromaticContact CZ-CE2 3.59Å; Y412-F447 AromaticContact CZ-CZ 3.47Å; Y412-F447 VanDerWaalsContact CZ-CZ 3.47Å; Y412-F447 WeakPolarHBondContact OH-CE2 3.32Å; Y412-F447 VanDerWaalsContact OH-CZ 3.26Å; Y412-F447 WeakPolarHBondContact OH-CZ 3.22Å; Y412-F451 HydrophobicContact CD2-CD2 4.45Å; Y412-F451 AromaticContact CD2-CE2 3.72Å; Y412-F451 HydrophobicContact CD2-CE2 3.72Å; Y412-F451 AromaticContact CE2-CD2 3.96Å; Y412-F451 HydrophobicContact CE2-CD2 3.96Å; Y412-F451 AromaticContact CE2-CE2 3.67Å; Y412-F451 HydrophobicContact CE2-CE2 3.67Å; Y412-F451 HydrophobicContact CG-CE2 4.33Å; Y412-L467 HydrophobicContact CD1-CD2 4.01Å; Y412-L467 HydrophobicContact CE1-CB 4.29Å; Y412-L467 HydrophobicContact CE1-CD2 3.88Å; Y412-V562 HydrophobicContact CD2-CG1 4.27Å; Y412-V562 HydrophobicContact CD2-CG2 4.43Å
413	F	95.6	Very high	94.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.9	-42.9	171.3	-67.5	-20	0	0	0	111.5	L391 M395 I409 F410 L415 E416 I417 F441 L467 L468 I497 L576	L391-F413 HydrophobicContact CD1-CE2 4.11Å; L391-F413 HydrophobicContact CD1-CZ 4.1Å; M395-F413 HydrophobicContact SD-CE2 4.29Å; I409-F413 HydrophobicContact CG2-CD2 4.19Å; I409-F413 HydrophobicContact CG2-CE1 4.13Å; I409-F413 HydrophobicContact CG2-CE2 3.65Å; I409-F413 HydrophobicContact CG2-CZ 3.62Å; I409-F413 WeakPolarHBondContact O-CG 3.48Å; I409-F413 PolarHBondContact O-N 3.3Å; F410-F413 HydrophobicContact CD1-CD2 4.4Å; F410-F413 PolarHBondContact O-N 2.66Å; F413-L415 PolarHBondContact O-N 2.69Å; F413-E416 PolarHBondContact O-N 2.79Å; F413-I417 WeakPolarHBondContact O-CG1 3.46Å; F413-I417 PolarHBondContact O-N 3.46Å; F413-F441 HydrophobicContact CE1-CE2 4.07Å; F413-F441 HydrophobicContact CZ-CE2 4.24Å; F413-L467 HydrophobicContact CD1-CD2 4.08Å; F413-L467 HydrophobicContact CE1-CD2 3.65Å; F413-L468 HydrophobicContact CB-CD1 4.32Å; F413-L468 HydrophobicContact CD1-CD1 4.22Å; F413-L468 HydrophobicContact CG-CD1 4.48Å; F413-I497 HydrophobicContact CB-CD1 3.93Å; F413-L576 HydrophobicContact CZ-CD1 3.89Å
414	L	96.3	Very high	94.5	Very high	0 Å²	0	17 Å²	17	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.8	-42.8	176.7	173.2	57.6	0	0	0	111.8	F410 A411 Y412 E416 I417 L418 M493 I497 W532 F535 F558	F410-L414 WeakPolarHBondContact O-CB 3.32Å; F410-L414 PolarHBondContact O-N 2.86Å; A411-L414 WeakPolarHBondContact O-CB 3.24Å; A411-L414 PolarHBondContact O-N 2.05Å; Y412-L414 PolarHBondContact O-N 3.24Å; L414-E416 VanDerWaalsContact C-N 3.31Å; L414-E416 PolarHBondContact O-N 2.98Å; L414-I417 PolarHBondContact O-N 3.48Å; L414-L418 HydrophobicContact CD1-CD1 3.93Å; L414-L418 HydrophobicContact CD1-CG 3.83Å; L414-L418 HydrophobicContact CG-CD1 3.83Å; L414-L418 HydrophobicContact CG-CG 4.26Å; L414-L418 VanDerWaalsContact O-CB 3.29Å; L414-L418 WeakPolarHBondContact O-CB 3.4Å; L414-L418 VanDerWaalsContact O-CG 3.28Å; L414-L418 WeakPolarHBondContact O-CG 3.04Å; L414-L418 PolarHBondContact O-N 2.93Å; L414-M493 HydrophobicContact CD1-CE 4.42Å; L414-M493 HydrophobicContact CD1-CG 3.86Å; L414-M493 HydrophobicContact CD1-SD 3.78Å; L414-I497 HydrophobicContact CB-CD1 3.86Å; L414-I497 HydrophobicContact CB-CG1 4Å; L414-I497 HydrophobicContact CD1-CG1 4.01Å; L414-W532 HydrophobicContact CD2-CH2 4.37Å; L414-W532 HydrophobicContact CD2-CZ3 4.16Å; L414-F535 HydrophobicContact CD1-CE1 4.35Å; L414-F535 HydrophobicContact CD1-CE2 3.53Å; L414-F535 HydrophobicContact CD1-CZ 3.4Å; L414-F535 VanDerWaalsContact CD1-CZ 3.4Å; L414-F535 HydrophobicContact CD2-CD2 3.95Å; L414-F535 HydrophobicContact CD2-CE1 4.26Å; L414-F535 HydrophobicContact CD2-CE2 3.65Å; L414-F535 HydrophobicContact CD2-CG 4.39Å; L414-F535 HydrophobicContact CD2-CZ 3.84Å; L414-F535 HydrophobicContact CG-CE2 4.24Å; L414-F535 HydrophobicContact CG-CZ 4.3Å; L414-F558 HydrophobicContact CD2-CD1 4.25Å; L414-F558 HydrophobicContact CD2-CD2 3.29Å; L414-F558 HydrophobicContact CD2-CE1 4.19Å; L414-F558 HydrophobicContact CD2-CE2 3.23Å; L414-F558 HydrophobicContact CD2-CG 3.83Å; L414-F558 HydrophobicContact CD2-CZ 3.71Å; L414-F558 HydrophobicContact CG-CD2 4.32Å
415	L	95.4	Very high	94.5	Very high	1 Å²	1	11 Å²	11	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-60.2	-39.5	176.9	-68.5	176.9	0	0	0	112.5	A411 Y412 F413 L418 K419 E555 F558 V562	A411-L415 WeakPolarHBondContact O-CG 3.27Å; A411-L415 PolarHBondContact O-N 2.76Å; Y412-L415 PolarHBondContact O-N 2.97Å; Y412-L415 VanDerWaalsContact O-N 3.13Å; F413-L415 PolarHBondContact O-N 2.69Å; L415-L418 HydrophobicContact CD2-CD1 4.39Å; L415-K419 WeakPolarHBondContact O-CG 3.39Å; L415-K419 PolarHBondContact O-N 2.92Å; L415-E555 HydrophobicContact CD2-CB 4.46Å; L415-E555 HydrophobicContact CD2-CG 3.95Å; L415-F558 HydrophobicContact CD2-CB 4.06Å; L415-F558 HydrophobicContact CG-CB 4.35Å; L415-V562 HydrophobicContact CD1-CB 4.45Å; L415-V562 HydrophobicContact CD1-CG2 3.81Å
416	E	94.5	Very high	94.4	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-69.1	-44.4	175.7	-72.6	-149.2	163.3	0	0	112.5	Y412 F413 L414 L418 K419 M420 V465 A466 L467 L468	Y412-E416 HydrophobicContact CE1-CG 4.12Å; Y412-E416 PolarHBondContact O-N 3.49Å; Y412-E416 VanDerWaalsContact O-N 3.12Å; Y412-E416 PolarHBondContact OH-OE1 3.15Å; Y412-E416 VanDerWaalsContact OH-OE1 3.13Å; F413-E416 PolarHBondContact O-N 2.79Å; L414-E416 VanDerWaalsContact C-N 3.31Å; L414-E416 PolarHBondContact O-N 2.98Å; E416-L418 VanDerWaalsContact C-N 3.31Å; E416-L418 PolarHBondContact O-N 3.36Å; E416-K419 WeakPolarHBondContact O-CB 3.32Å; E416-K419 PolarHBondContact O-N 3.32Å; E416-M420 WeakPolarHBondContact O-CG 3.19Å; E416-M420 PolarHBondContact O-N 2.9Å; E416-M420 VanDerWaalsContact O-N 3.11Å; E416-V465 HydrophobicContact CB-CG1 4.28Å; E416-V465 HydrophobicContact CG-CG1 4.41Å; E416-A466 PolarHBondContact OE1-N 2.85Å; E416-L467 WeakPolarHBondContact OE1-CB 3.31Å; E416-L467 PolarHBondContact OE1-N 3.19Å; E416-L467 WeakPolarHBondContact OE2-CB 3.4Å; E416-L467 PolarHBondContact OE2-N 3.15Å; E416-L468 HydrophobicContact CB-CD1 4.26Å; E416-L468 VanDerWaalsContact OE2-CB 3.29Å; E416-L468 WeakPolarHBondContact OE2-CB 3.42Å; E416-L468 WeakPolarHBondContact OE2-CG 3.26Å; E416-L468 PolarHBondContact OE2-N 3Å
417	I	95.6	Very high	94.3	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.3	-36.6	177.4	-59.9	172.2	0	0	0	110.7	F413 L414 K419 M420 V421 L434 L439 L468 M493 C496 I497	F413-I417 WeakPolarHBondContact O-CG1 3.46Å; F413-I417 PolarHBondContact O-N 3.46Å; L414-I417 PolarHBondContact O-N 3.48Å; I417-K419 VanDerWaalsContact C-N 3.31Å; I417-K419 PolarHBondContact O-N 3.26Å; I417-M420 WeakPolarHBondContact O-CB 3.24Å; I417-M420 PolarHBondContact O-N 3.43Å; I417-V421 HydrophobicContact CG2-CG2 4.2Å; I417-V421 WeakPolarHBondContact O-CG2 3.26Å; I417-V421 PolarHBondContact O-N 3Å; I417-L434 HydrophobicContact CG2-CD2 4.18Å; I417-L439 HydrophobicContact CD1-CD1 3.67Å; I417-L439 HydrophobicContact CG1-CD1 4.16Å; I417-L468 HydrophobicContact CD1-CD1 4.42Å; I417-L468 HydrophobicContact CG1-CD1 4.02Å; I417-M493 HydrophobicContact CB-CG 4.22Å; I417-M493 HydrophobicContact CG2-CB 3.69Å; I417-M493 HydrophobicContact CG2-CG 3.52Å; I417-M493 HydrophobicContact CG2-SD 4.2Å; I417-C496 HydrophobicContact CD1-CB 4.06Å; I417-I497 HydrophobicContact CD1-CD1 3.79Å; I417-I497 HydrophobicContact CD1-CG1 4.25Å
418	L	94.9	Very high	94.1	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-57.3	-43.9	173.7	-84.3	165.5	0	0	0	111.5	L414 L415 E416 V421 R422 M493 M551 E555	L414-L418 HydrophobicContact CD1-CD1 3.93Å; L414-L418 HydrophobicContact CD1-CG 3.83Å; L414-L418 HydrophobicContact CG-CD1 3.83Å; L414-L418 HydrophobicContact CG-CG 4.26Å; L414-L418 VanDerWaalsContact O-CB 3.29Å; L414-L418 WeakPolarHBondContact O-CB 3.4Å; L414-L418 VanDerWaalsContact O-CG 3.28Å; L414-L418 WeakPolarHBondContact O-CG 3.04Å; L414-L418 PolarHBondContact O-N 2.93Å; L415-L418 HydrophobicContact CD2-CD1 4.39Å; E416-L418 VanDerWaalsContact C-N 3.31Å; E416-L418 PolarHBondContact O-N 3.36Å; L418-V421 PolarHBondContact O-N 3.11Å; L418-R422 VanDerWaalsContact O-CB 3.31Å; L418-R422 WeakPolarHBondContact O-CB 3.32Å; L418-R422 PolarHBondContact O-N 2.91Å; L418-M493 HydrophobicContact CB-SD 4.32Å; L418-M493 HydrophobicContact CD2-CE 3.63Å; L418-M493 HydrophobicContact CD2-SD 3.46Å; L418-M493 WeakPolarHBondContact CD2-SD 3.18Å; L418-M493 HydrophobicContact CG-CE 4.35Å; L418-M493 HydrophobicContact CG-SD 3.61Å; L418-M551 HydrophobicContact CD2-CB 4.17Å; L418-M551 HydrophobicContact CD2-CE 3.92Å; L418-M551 HydrophobicContact CD2-CG 3.91Å; L418-M551 VanDerWaalsContact O-CE 3.24Å; L418-M551 WeakPolarHBondContact O-CE 3.38Å; L418-E555 HydrophobicContact CD1-CB 4.37Å
419	K	93.6	Very high	94	Very high	13 Å²	13	12.7 Å²	12.7	6%	0.057	6%	0.061	C	C	.	.	H	α-helix	trans	-62.8	-42.6	175.9	-69.9	169.9	-172.8	176.6	0	111.6	L415 E416 I417 R422 A423 Y460 R461 L463 V465	L415-K419 WeakPolarHBondContact O-CG 3.39Å; L415-K419 PolarHBondContact O-N 2.92Å; E416-K419 WeakPolarHBondContact O-CB 3.32Å; E416-K419 PolarHBondContact O-N 3.32Å; I417-K419 VanDerWaalsContact C-N 3.31Å; I417-K419 PolarHBondContact O-N 3.26Å; K419-R422 PolarHBondContact O-N 3.33Å; K419-A423 WeakPolarHBondContact O-CB 3.25Å; K419-A423 PolarHBondContact O-N 3.16Å; K419-Y460 PolarHBondContact NZ-O 3.35Å; K419-R461 VanDerWaalsContact CE-O 3.26Å; K419-R461 WeakPolarHBondContact CE-O 3.28Å; K419-R461 PolarHBondContact NZ-O 2.89Å; K419-L463 PolarHBondContact NZ-O 3.28Å; K419-V465 HydrophobicContact CB-CG2 3.58Å; K419-V465 HydrophobicContact CD-CG2 3.85Å; K419-V465 HydrophobicContact CG-CG2 4.36Å
420	M	95.1	Very high	93.9	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60	-48.8	174.2	-64.3	173.6	-173.3	0	0	112.1	A365 F366 E416 I417 R422 A423 M424 L439 V465 L468 L470	A365-M420 HydrophobicContact CB-CE 4.16Å; A365-M420 HydrophobicContact CB-CG 3.81Å; F366-M420 HydrophobicContact CE1-CB 4.19Å; F366-M420 HydrophobicContact CE1-CG 4.46Å; F366-M420 HydrophobicContact CZ-CB 4.27Å; E416-M420 WeakPolarHBondContact O-CG 3.19Å; E416-M420 PolarHBondContact O-N 2.9Å; E416-M420 VanDerWaalsContact O-N 3.11Å; I417-M420 WeakPolarHBondContact O-CB 3.24Å; I417-M420 PolarHBondContact O-N 3.43Å; M420-R422 VanDerWaalsContact C-N 3.32Å; M420-R422 PolarHBondContact O-N 2.93Å; M420-A423 PolarHBondContact O-N 2.84Å; M420-M424 WeakPolarHBondContact O-CG 3.34Å; M420-M424 PolarHBondContact O-N 3.22Å; M420-L439 HydrophobicContact CE-CD2 4.23Å; M420-L439 HydrophobicContact SD-CD2 3.84Å; M420-V465 HydrophobicContact CE-CG1 3.56Å; M420-L468 VanDerWaalsContact CE-C 3.44Å; M420-L468 HydrophobicContact CE-CB 3.5Å; M420-L468 WeakPolarHBondContact CE-O 3.46Å; M420-L470 HydrophobicContact SD-CB 3.98Å
421	V	94.1	Very high	93.8	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.012	6%	0.061	C	C	.	.	H	α-helix	trans	-63.1	-40.5	179.6	173.1	0	0	0	0	110.8	I417 L418 M424 Q425 L434 N489 M493 M551	I417-V421 HydrophobicContact CG2-CG2 4.2Å; I417-V421 WeakPolarHBondContact O-CG2 3.26Å; I417-V421 PolarHBondContact O-N 3Å; L418-V421 PolarHBondContact O-N 3.11Å; V421-M424 HydrophobicContact CG2-CE 4.36Å; V421-M424 PolarHBondContact O-N 2.69Å; V421-Q425 WeakPolarHBondContact O-CB 3.49Å; V421-Q425 PolarHBondContact O-N 3.03Å; V421-L434 HydrophobicContact CG2-CD2 3.86Å; V421-N489 HydrophobicContact CG1-CB 4.04Å; V421-N489 HydrophobicContact CG2-CB 4.26Å; V421-M493 HydrophobicContact CG2-CB 3.99Å; V421-M493 HydrophobicContact CG2-SD 4.14Å; V421-M551 HydrophobicContact CB-CE 4Å; V421-M551 HydrophobicContact CG1-CE 3.85Å; V421-M551 HydrophobicContact CG1-SD 4.22Å
422	R	92	Very high	93.6	Very high	70 Å²	70	17 Å²	17	26%	0.264	8%	0.078	S	C	.	.	H	α-helix	trans	-63.5	-45.7	177.7	-171.3	-177.6	-66.8	-123.1	-2.5	110.6	L418 K419 M420 Q425 L426 M551 D552 E555	L418-R422 VanDerWaalsContact O-CB 3.31Å; L418-R422 WeakPolarHBondContact O-CB 3.32Å; L418-R422 PolarHBondContact O-N 2.91Å; K419-R422 PolarHBondContact O-N 3.33Å; M420-R422 VanDerWaalsContact C-N 3.32Å; M420-R422 PolarHBondContact O-N 2.93Å; R422-Q425 PolarHBondContact O-N 3.21Å; R422-L426 HydrophobicContact CG-CD1 4.29Å; R422-L426 WeakPolarHBondContact O-CG 3.36Å; R422-L426 PolarHBondContact O-N 3.37Å; R422-M551 HydrophobicContact CB-CE 3.69Å; R422-D552 IonicContact CZ-OD1 3.9Å; R422-D552 IonicContact NH1-OD1 2.65Å; R422-D552 PolarHBondContact NH1-OD1 3.29Å; R422-D552 IonicContact NH2-OD1 3.4Å; R422-D552 PolarHBondContact NH2-OD1 3.12Å; R422-E555 IonicContact CZ-OE2 3.75Å; R422-E555 IonicContact NE-OE2 2.73Å; R422-E555 IonicContact NH2-OE2 3.59Å; R422-E555 PolarHBondContact NH2-OE2 3.46Å
423	A	93.8	Very high	93.3	Very high	2 Å²	2	18 Å²	18	2%	0.017	9%	0.086	C	C	.	.	H	α-helix	trans	-61	-47.9	177.1	0	0	0	0	0	111.4	L353 L359 F366 K419 M420 Q425 L426 I427	L353-A423 HydrophobicContact CD2-CB 4.23Å; L359-A423 HydrophobicContact CD2-CB 3.91Å; F366-A423 HydrophobicContact CE2-CB 4.07Å; F366-A423 HydrophobicContact CZ-CB 4Å; K419-A423 WeakPolarHBondContact O-CB 3.25Å; K419-A423 PolarHBondContact O-N 3.16Å; M420-A423 PolarHBondContact O-N 2.84Å; A423-Q425 VanDerWaalsContact C-N 3.34Å; A423-Q425 PolarHBondContact O-N 2.87Å; A423-L426 PolarHBondContact O-N 3.46Å; A423-I427 WeakPolarHBondContact O-CG1 3.28Å; A423-I427 PolarHBondContact O-N 2.86Å; A423-I427 VanDerWaalsContact O-N 3.13Å
424	M	93.9	Very high	93.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.7	-41.5	175.7	-74.9	-168.8	-67.5	0	0	112.6	F366 M420 V421 L426 I427 G428 V429 H431 L470 N489	F366-M424 HydrophobicContact CE1-CG 3.84Å; F366-M424 HydrophobicContact CE1-SD 4.19Å; F366-M424 HydrophobicContact CZ-CG 3.94Å; M420-M424 WeakPolarHBondContact O-CG 3.34Å; M420-M424 PolarHBondContact O-N 3.22Å; V421-M424 HydrophobicContact CG2-CE 4.36Å; V421-M424 PolarHBondContact O-N 2.69Å; M424-L426 VanDerWaalsContact C-N 3.33Å; M424-L426 PolarHBondContact O-N 3.38Å; M424-I427 WeakPolarHBondContact O-CG1 3.35Å; M424-I427 PolarHBondContact O-N 3.11Å; M424-G428 PolarHBondContact O-N 3.17Å; M424-V429 HydrophobicContact CB-CB 4.45Å; M424-V429 HydrophobicContact CG-CB 4.47Å; M424-V429 HydrophobicContact CG-CG1 4.45Å; M424-V429 PolarHBondContact O-N 3.25Å; M424-V429 HydrophobicContact SD-CG1 4.42Å; M424-H431 HydrophobicContact SD-CB 4.03Å; M424-L470 HydrophobicContact CE-CD2 3.75Å; M424-L470 HydrophobicContact SD-CD2 3.84Å; M424-N489 HydrophobicContact CE-CB 4.29Å
425	Q	90.2	Very high	92.9	Very high	70 Å²	70	21.6 Å²	21.6	33%	0.327	11%	0.105	S	C	.	.	H	α-helix	trans	-61.7	-40.9	176.2	-175.8	-177.9	-5.2	0	0	111.9	V421 R422 A423 G428 T548	V421-Q425 WeakPolarHBondContact O-CB 3.49Å; V421-Q425 PolarHBondContact O-N 3.03Å; R422-Q425 PolarHBondContact O-N 3.21Å; A423-Q425 VanDerWaalsContact C-N 3.34Å; A423-Q425 PolarHBondContact O-N 2.87Å; Q425-G428 PolarHBondContact O-N 2.96Å; Q425-T548 PolarHBondContact NE2-OG1 3.5Å
426	L	90.2	Very high	92.8	Very high	78 Å²	78	22.3 Å²	22.3	41%	0.408	11%	0.109	S	C	.	.	H	α-helix	trans	-69.6	-35	-179.1	-73.7	169.9	0	0	0	113	L359 R422 A423 M424	L359-L426 HydrophobicContact CD2-CB 4.08Å; L359-L426 HydrophobicContact CD2-CD1 3.55Å; L359-L426 HydrophobicContact CD2-CG 4.45Å; R422-L426 HydrophobicContact CG-CD1 4.29Å; R422-L426 WeakPolarHBondContact O-CG 3.36Å; R422-L426 PolarHBondContact O-N 3.37Å; A423-L426 PolarHBondContact O-N 3.46Å; M424-L426 VanDerWaalsContact C-N 3.33Å; M424-L426 PolarHBondContact O-N 3.38Å
427	I	92.4	Very high	92.6	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.031	12%	0.119	C	C	.	.	H	α-helix	trans	-91.3	0.7	177.8	67.6	-178.5	0	0	0	113.5	M349 L352 L353 L359 A423 M424 V429 Q478 W479	M349-I427 HydrophobicContact CE-CD1 3.81Å; M349-I427 HydrophobicContact CG-CD1 4.07Å; L352-I427 HydrophobicContact CB-CB 4.36Å; L352-I427 HydrophobicContact CB-CG2 3.79Å; L352-I427 HydrophobicContact CD1-CB 4.02Å; L352-I427 HydrophobicContact CD1-CG2 4.33Å; L353-I427 HydrophobicContact CD2-CD1 4.45Å; L359-I427 HydrophobicContact CD1-CG2 3.39Å; A423-I427 WeakPolarHBondContact O-CG1 3.28Å; A423-I427 PolarHBondContact O-N 2.86Å; A423-I427 VanDerWaalsContact O-N 3.13Å; M424-I427 WeakPolarHBondContact O-CG1 3.35Å; M424-I427 PolarHBondContact O-N 3.11Å; I427-V429 HydrophobicContact CD1-CB 4.26Å; I427-V429 HydrophobicContact CD1-CG2 3.86Å; I427-V429 HydrophobicContact CG1-CB 4.05Å; I427-V429 HydrophobicContact CG1-CG2 3.76Å; I427-Q478 PolarHBondContact O-NE2 3.12Å; I427-W479 WeakPolarHBondContact O-CZ2 3.29Å
428	G	91.1	Very high	92.4	Very high	9 Å²	9	23.9 Å²	23.9	9%	0.093	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	24.5	178.1	0	0	0	0	0	115	M424 Q425 Q478 W479	M424-G428 PolarHBondContact O-N 3.17Å; Q425-G428 PolarHBondContact O-N 2.96Å; G428-Q478 CarbonylContact O-C 3.5Å; G428-Q478 WeakPolarHBondContact O-CA 3.28Å; G428-W479 PolarHBondContact O-N 3.13Å
429	V	93.4	Very high	92.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	134	-178.5	171	0	0	0	0	111.3	L345 M349 M424 I427 F473 A476 E477 Q478 N489	L345-V429 HydrophobicContact CD1-CG2 4.21Å; M349-V429 HydrophobicContact CE-CG1 4.21Å; M349-V429 HydrophobicContact CE-CG2 4.38Å; M349-V429 HydrophobicContact CG-CG2 3.95Å; M349-V429 HydrophobicContact SD-CG1 4.16Å; M349-V429 HydrophobicContact SD-CG2 4.1Å; M424-V429 HydrophobicContact CB-CB 4.45Å; M424-V429 HydrophobicContact CG-CB 4.47Å; M424-V429 HydrophobicContact CG-CG1 4.45Å; M424-V429 PolarHBondContact O-N 3.25Å; M424-V429 HydrophobicContact SD-CG1 4.42Å; I427-V429 HydrophobicContact CD1-CB 4.26Å; I427-V429 HydrophobicContact CD1-CG2 3.86Å; I427-V429 HydrophobicContact CG1-CB 4.05Å; I427-V429 HydrophobicContact CG1-CG2 3.76Å; V429-F473 HydrophobicContact CG1-CE1 4.48Å; V429-A476 HydrophobicContact CG1-CB 4.43Å; V429-E477 WeakPolarHBondContact CA-O 3.48Å; V429-Q478 HydrophobicContact CG2-CB 4.31Å; V429-Q478 HydrophobicContact CG2-CG 3.89Å; V429-N489 PolarHBondContact O-ND2 3.13Å
430	V	93.7	Very high	92.2	Very high	8 Å²	8	23.3 Å²	23.3	5%	0.048	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.3	167.8	177.9	0	0	0	0	109.2	Y432 A476 E477 P480 I488	V430-Y432 HydrophobicContact CB-CD2 4.39Å; V430-Y432 HydrophobicContact CB-CE2 4.1Å; V430-Y432 HydrophobicContact CG1-CD1 3.99Å; V430-Y432 HydrophobicContact CG1-CD2 3.87Å; V430-Y432 HydrophobicContact CG1-CE1 3.93Å; V430-Y432 HydrophobicContact CG1-CE2 3.85Å; V430-Y432 HydrophobicContact CG1-CG 3.98Å; V430-Y432 WeakPolarHBondContact O-CD2 3.48Å; V430-A476 CarbonylContact O-C 3.59Å; V430-A476 WeakPolarHBondContact O-CA 3.48Å; V430-A476 WeakPolarHBondContact O-CB 3.34Å; V430-E477 PolarHBondContact N-O 2.71Å; V430-E477 PolarHBondContact O-N 2.69Å; V430-P480 HydrophobicContact CB-CG 4.16Å; V430-P480 HydrophobicContact CG2-CG 3.67Å; V430-I488 HydrophobicContact CG1-CB 3.88Å; V430-I488 HydrophobicContact CG1-CD1 4.18Å; V430-I488 HydrophobicContact CG1-CG2 3.84Å
431	H	93.4	Very high	91.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.			trans	-79.9	-29.3	-175	-167.6	-88.1	0	0	0	112.9	M424 S433 L434 S471 N472 F473 N489	M424-H431 HydrophobicContact SD-CB 4.03Å; H431-S433 PolarHBondContact CE1-O 3.42Å; H431-S433 PolarHBondContact CE1-OG 2.92Å; H431-S433 PolarHBondContact ND1-N 2.75Å; H431-S433 PolarHBondContact ND1-O 3.36Å; H431-S433 PolarHBondContact ND1-OG 2.77Å; H431-S433 PolarHBondContact O-N 3.43Å; H431-L434 PolarHBondContact ND1-N 2.99Å; H431-S471 PolarHBondContact CE1-O 3.3Å; H431-S471 VanDerWaalsContact CE1-O 3.24Å; H431-S471 PolarHBondContact NE2-O 2.9Å; H431-N472 PolarHBondContact CE1-O 3.49Å; H431-N472 VanDerWaalsContact CE1-O 3.29Å; H431-N472 PolarHBondContact NE2-O 2.79Å; H431-F473 AromaticContact CD2-CD1 3.76Å; H431-F473 AromaticContact CD2-CE1 3.5Å; H431-F473 AromaticContact CD2-CZ 3.74Å; H431-N489 PolarHBondContact N-OD1 2.98Å
432	Y	90.5	Very high	91.3	Very high	94 Å²	94	25.8 Å²	25.8	37%	0.369	13%	0.132	S	C	.	.	S	Bend	trans	61.1	-27	-172.2	-63.2	-81.6	0	0	0	116.8	V430 L475 E477 I488	V430-Y432 HydrophobicContact CB-CD2 4.39Å; V430-Y432 HydrophobicContact CB-CE2 4.1Å; V430-Y432 HydrophobicContact CG1-CD1 3.99Å; V430-Y432 HydrophobicContact CG1-CD2 3.87Å; V430-Y432 HydrophobicContact CG1-CE1 3.93Å; V430-Y432 HydrophobicContact CG1-CE2 3.85Å; V430-Y432 HydrophobicContact CG1-CG 3.98Å; V430-Y432 WeakPolarHBondContact O-CD2 3.48Å; Y432-L475 WeakPolarHBondContact CD2-O 3.4Å; Y432-E477 HydrophobicContact CE2-CB 3.78Å; Y432-E477 PolarHBondContact OH-OE2 2.8Å; Y432-I488 HydrophobicContact CD1-CD1 3.97Å; Y432-I488 HydrophobicContact CD1-CG2 4.23Å; Y432-I488 HydrophobicContact CE1-CD1 3.62Å
433	S	89.5	Confident	90.3	Very high	22 Å²	22	26.5 Å²	26.5	15%	0.154	14%	0.141	C	C	.	.			trans	-120.6	42.9	179.2	61.1	0	0	0	0	113.3	H431 D435 N438	H431-S433 PolarHBondContact CE1-O 3.42Å; H431-S433 PolarHBondContact CE1-OG 2.92Å; H431-S433 PolarHBondContact ND1-N 2.75Å; H431-S433 PolarHBondContact ND1-O 3.36Å; H431-S433 PolarHBondContact ND1-OG 2.77Å; H431-S433 PolarHBondContact O-N 3.43Å; S433-D435 PolarHBondContact O-N 2.9Å; S433-N438 PolarHBondContact O-ND2 3Å; S433-N438 PolarHBondContact OG-ND2 2.98Å
434	L	92.9	Very high	89.1	Confident	10 Å²	10	28.5 Å²	28.5	5%	0.052	16%	0.155	C	C	.	.			trans	-72.3	96.7	172.8	178.9	61.7	0	0	0	108.9	I417 V421 H431 L439 L470 N489 G492 M493 C496	I417-L434 HydrophobicContact CG2-CD2 4.18Å; V421-L434 HydrophobicContact CG2-CD2 3.86Å; H431-L434 PolarHBondContact ND1-N 2.99Å; L434-L439 HydrophobicContact CD1-CD2 4.33Å; L434-L470 HydrophobicContact CD1-CD1 3.53Å; L434-L470 HydrophobicContact CD1-CD2 4.03Å; L434-L470 HydrophobicContact CD1-CG 4.4Å; L434-N489 WeakPolarHBondContact CD2-O 3.45Å; L434-G492 WeakPolarHBondContact O-CA 3.48Å; L434-M493 HydrophobicContact CD2-CB 4.17Å; L434-C496 PolarHBondContact O-SG 2.71Å; L434-C496 VanDerWaalsContact O-SG 3.41Å
435	D	91.5	Very high	87.3	Confident	66 Å²	66	31.9 Å²	31.9	35%	0.353	18%	0.183	S	C	.	.	S	Bend	trans	-140.2	173.1	-179.3	64.9	53.5	0	0	0	111.2	S433 G437 N438 L439 C496	S433-D435 PolarHBondContact O-N 2.9Å; D435-G437 VanDerWaalsContact C-N 3.28Å; D435-G437 PolarHBondContact O-N 2.82Å; D435-G437 VanDerWaalsContact OD1-CA 3.28Å; D435-G437 WeakPolarHBondContact OD1-CA 3.42Å; D435-G437 PolarHBondContact OD1-N 2.6Å; D435-N438 PolarHBondContact O-N 3.26Å; D435-N438 PolarHBondContact OD1-N 2.88Å; D435-N438 PolarHBondContact OD1-ND2 3.49Å; D435-N438 PolarHBondContact OD2-ND2 3.04Å; D435-N438 VanDerWaalsContact OD2-ND2 3.07Å; D435-L439 PolarHBondContact O-N 2.77Å; D435-C496 VanDerWaalsContact C-SG 3.5Å; D435-C496 WeakPolarHBondContact CA-SG 2.95Å
436	L	92.4	Very high	86.4	Confident	17 Å²	17	34.1 Å²	34.1	9%	0.089	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.9	-179.2	-63.8	-176.1	0	0	0	114.3	L391 A392 N438 L439 C496 C500	L391-L436 HydrophobicContact CB-CD2 4.46Å; L391-L436 HydrophobicContact CD2-CD2 3.74Å; L391-L436 HydrophobicContact CG-CD2 4.05Å; L391-L436 PolarHBondContact N-O 3.08Å; A392-L436 HydrophobicContact CB-CB 3.81Å; A392-L436 PolarHBondContact N-O 3.06Å; L436-N438 VanDerWaalsContact C-N 3.29Å; L436-L439 HydrophobicContact CD2-CD1 4.45Å; L436-C496 HydrophobicContact CD2-CB 4.11Å; L436-C500 WeakPolarHBondContact CD2-SG 3.37Å
437	G	90.7	Very high	86	Confident	21 Å²	21	31 Å²	31	22%	0.216	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-29.7	176.4	0	0	0	0	0	111.6	P314 S390 D435	P314-G437 WeakPolarHBondContact CD-O 3.4Å; S390-G437 WeakPolarHBondContact CB-O 3.28Å; D435-G437 VanDerWaalsContact C-N 3.28Å; D435-G437 PolarHBondContact O-N 2.82Å; D435-G437 VanDerWaalsContact OD1-CA 3.28Å; D435-G437 WeakPolarHBondContact OD1-CA 3.42Å; D435-G437 PolarHBondContact OD1-N 2.6Å
438	N	92	Very high	85.6	Confident	11 Å²	11	31.8 Å²	31.8	6%	0.059	18%	0.184	C	C	.	.	S	Bend	trans	-92.1	-3.4	-179.8	-65.7	-38.8	0	0	0	114.8	S433 D435 L436 L470 S471 N472	S433-N438 PolarHBondContact O-ND2 3Å; S433-N438 PolarHBondContact OG-ND2 2.98Å; D435-N438 PolarHBondContact O-N 3.26Å; D435-N438 PolarHBondContact OD1-N 2.88Å; D435-N438 PolarHBondContact OD1-ND2 3.49Å; D435-N438 PolarHBondContact OD2-ND2 3.04Å; D435-N438 VanDerWaalsContact OD2-ND2 3.07Å; L436-N438 VanDerWaalsContact C-N 3.29Å; N438-L470 HydrophobicContact CB-CD1 4.24Å; N438-L470 CarbonylContact O-C 3.55Å; N438-S471 PolarHBondContact O-N 3.49Å; N438-S471 PolarHBondContact O-OG 2.92Å; N438-N472 VanDerWaalsContact OD1-CB 3.32Å; N438-N472 WeakPolarHBondContact OD1-CB 3.16Å; N438-N472 PolarHBondContact OD1-ND2 3.44Å
439	L	93.4	Very high	85.2	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	114.3	172.4	-71.3	167.4	0	0	0	110	S390 L391 I417 M420 L434 D435 L436 L470 C496	S390-L439 CarbonylContact C-O 3.51Å; S390-L439 WeakPolarHBondContact CA-O 3.48Å; L391-L439 HydrophobicContact CB-CB 4.01Å; L391-L439 WeakPolarHBondContact CB-O 3.46Å; L391-L439 HydrophobicContact CD2-CB 4.36Å; L391-L439 HydrophobicContact CD2-CD1 4.13Å; L391-L439 PolarHBondContact N-O 3.43Å; I417-L439 HydrophobicContact CD1-CD1 3.67Å; I417-L439 HydrophobicContact CG1-CD1 4.16Å; M420-L439 HydrophobicContact CE-CD2 4.23Å; M420-L439 HydrophobicContact SD-CD2 3.84Å; L434-L439 HydrophobicContact CD1-CD2 4.33Å; D435-L439 PolarHBondContact O-N 2.77Å; L436-L439 HydrophobicContact CD2-CD1 4.45Å; L439-L470 HydrophobicContact CD2-CB 4.25Å; L439-L470 HydrophobicContact CD2-CD1 4.11Å; L439-C496 HydrophobicContact CD1-CB 4.4Å
440	L	91	Very high	84.8	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	135.1	174.3	-62	169.1	0	0	0	110.2	P314 F315 A367 Y386 N388 L468 K469	P314-L440 HydrophobicContact CG-CD2 3.4Å; P314-L440 VanDerWaalsContact CG-CD2 3.4Å; P314-L440 HydrophobicContact CG-CG 4Å; F315-L440 HydrophobicContact CE2-CD1 3.58Å; F315-L440 HydrophobicContact CE2-CD2 4.24Å; F315-L440 HydrophobicContact CE2-CG 4.49Å; F315-L440 HydrophobicContact CZ-CD1 3.95Å; A367-L440 HydrophobicContact CB-CD1 4.34Å; Y386-L440 HydrophobicContact CD2-CD1 4.37Å; N388-L440 HydrophobicContact CB-CB 4.27Å; L440-L468 CarbonylContact O-C 3.58Å; L440-L468 WeakPolarHBondContact O-CA 3.46Å; L440-K469 HydrophobicContact CB-CB 4.23Å; L440-K469 WeakPolarHBondContact CB-O 3.29Å; L440-K469 PolarHBondContact N-O 3.34Å; L440-K469 PolarHBondContact O-N 3.23Å
441	F	88.8	Confident	84.6	Confident	15 Å²	15	39.3 Å²	39.3	7%	0.066	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	111.1	175.3	-169.1	-92.8	0	0	0	110.5	N388 R389 L391 V394 F413 L467 L468 L576	N388-F441 WeakPolarHBondContact CB-O 3.43Å; N388-F441 PolarHBondContact ND2-O 3.08Å; N388-F441 PolarHBondContact OD1-O 2.8Å; R389-F441 PolarHBondContact O-N 2.87Å; L391-F441 HydrophobicContact CD1-CD2 4.15Å; V394-F441 HydrophobicContact CG2-CB 3.94Å; V394-F441 HydrophobicContact CG2-CG 4.18Å; F413-F441 HydrophobicContact CE1-CE2 4.07Å; F413-F441 HydrophobicContact CZ-CE2 4.24Å; F441-L467 CarbonylContact C-O 3.53Å; F441-L467 HydrophobicContact CD2-CD1 4.37Å; F441-L467 HydrophobicContact CD2-CG 4.24Å; F441-L467 HydrophobicContact CE1-CD1 4.04Å; F441-L467 HydrophobicContact CE2-CD1 3.67Å; F441-L467 HydrophobicContact CE2-CD2 3.91Å; F441-L467 HydrophobicContact CE2-CG 3.71Å; F441-L467 HydrophobicContact CZ-CD1 3.49Å; F441-L467 VanDerWaalsContact CZ-CD1 3.49Å; F441-L467 HydrophobicContact CZ-CD2 4.36Å; F441-L467 HydrophobicContact CZ-CG 4.07Å; F441-L468 HydrophobicContact CD2-CD2 4.03Å; F441-L576 HydrophobicContact CE1-CB 4.33Å; F441-L576 HydrophobicContact CE2-CB 4.48Å; F441-L576 HydrophobicContact CE2-CD1 4.42Å; F441-L576 HydrophobicContact CZ-CB 3.74Å; F441-L576 HydrophobicContact CZ-CD1 4.38Å
442	N	81.2	Confident	84.4	Confident	40 Å²	40	44.7 Å²	44.7	21%	0.214	24%	0.239	C	C	.	.			trans	-96.4	125.4	-170.5	-170.9	44.4	0	0	0	113.6	N388 S444 A466 L467	N388-N442 WeakPolarHBondContact ND2-CA 2.89Å; N388-N442 PolarHBondContact ND2-OD1 3.25Å; N442-S444 PolarHBondContact O-N 3.36Å; N442-A466 WeakPolarHBondContact CB-O 3.05Å; N442-A466 PolarHBondContact ND2-O 3.09Å; N442-L467 WeakPolarHBondContact CB-O 3Å; N442-L467 PolarHBondContact N-O 3.42Å
443	D	70.5	Confident	84.4	Confident	85 Å²	85	46 Å²	46	46%	0.455	25%	0.252	S	S	.	.			trans	-87.7	72.1	172.4	-173.8	12.8	0	0	0	111.1	A445 K577	D443-A445 PolarHBondContact O-N 3.1Å; D443-K577 VanDerWaalsContact CG-CE 3.43Å; D443-K577 WeakPolarHBondContact OD1-CD 3.5Å; D443-K577 WeakPolarHBondContact OD1-CE 3.39Å; D443-K577 IonicContact OD1-NZ 2.66Å; D443-K577 PolarHBondContact OD1-NZ 2.85Å; D443-K577 WeakPolarHBondContact OD2-CE 3.31Å; D443-K577 IonicContact OD2-NZ 3.84Å; D443-K577 PolarHBondContact OD2-NZ 3.07Å
444	S	68.2	Low	84.5	Confident	43 Å²	43	45.5 Å²	45.5	30%	0.301	25%	0.248	S	C	.	.			trans	-79.4	112.4	169	-176.6	0	0	0	0	109.7	N442 N446 F447	N442-S444 PolarHBondContact O-N 3.36Å; S444-N446 PolarHBondContact O-N 2.74Å; S444-F447 WeakPolarHBondContact O-CB 3.34Å; S444-F447 PolarHBondContact O-N 3.27Å
445	A	57	Low	84.4	Confident	71 Å²	71	54.7 Å²	54.7	59%	0.587	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.4	-179.4	0	0	0	0	0	113.4	D443	D443-A445 PolarHBondContact O-N 3.1Å
446	N	71.6	Confident	84.5	Confident	118 Å²	118	60.2 Å²	60.2	63%	0.631	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-16	-174.6	-62.9	-11.7	0	0	0	113.3	S444 L448 E449 D450	S444-N446 PolarHBondContact O-N 2.74Å; N446-L448 PolarHBondContact O-N 3.04Å; N446-E449 PolarHBondContact O-N 3.26Å; N446-D450 PolarHBondContact O-N 3.49Å
447	F	81.2	Confident	84.5	Confident	11 Å²	11	60.4 Å²	60.4	5%	0.048	30%	0.301	C	S	.	.	H	α-helix	trans	-59.8	-43.1	-173.5	160.8	-118.8	0	0	0	113.1	Y412 S444 E449 D450 F451 A466 L467 L573	Y412-F447 HydrophobicContact CD1-CZ 4.38Å; Y412-F447 HydrophobicContact CE1-CE1 4.22Å; Y412-F447 AromaticContact CE1-CE2 3.97Å; Y412-F447 HydrophobicContact CE1-CE2 3.97Å; Y412-F447 AromaticContact CE1-CZ 3.38Å; Y412-F447 HydrophobicContact CE1-CZ 3.38Å; Y412-F447 HydrophobicContact CE2-CZ 4.49Å; Y412-F447 AromaticContact CZ-CE2 3.59Å; Y412-F447 AromaticContact CZ-CZ 3.47Å; Y412-F447 VanDerWaalsContact CZ-CZ 3.47Å; Y412-F447 WeakPolarHBondContact OH-CE2 3.32Å; Y412-F447 VanDerWaalsContact OH-CZ 3.26Å; Y412-F447 WeakPolarHBondContact OH-CZ 3.22Å; S444-F447 WeakPolarHBondContact O-CB 3.34Å; S444-F447 PolarHBondContact O-N 3.27Å; F447-E449 PolarHBondContact O-N 2.71Å; F447-D450 PolarHBondContact O-N 2.83Å; F447-F451 HydrophobicContact CE2-CB 4Å; F447-F451 AromaticContact CE2-CD2 3.92Å; F447-F451 HydrophobicContact CE2-CD2 3.92Å; F447-F451 HydrophobicContact CE2-CG 4.39Å; F447-F451 HydrophobicContact CZ-CB 4.26Å; F447-F451 AromaticContact CZ-CD2 3.82Å; F447-F451 HydrophobicContact CZ-CD2 3.82Å; F447-F451 HydrophobicContact CZ-CG 4.33Å; F447-F451 WeakPolarHBondContact O-CB 3.37Å; F447-F451 PolarHBondContact O-N 2.87Å; F447-A466 HydrophobicContact CB-CB 3.89Å; F447-A466 HydrophobicContact CD2-CB 3.79Å; F447-A466 HydrophobicContact CG-CB 3.98Å; F447-L467 HydrophobicContact CD1-CD1 4.28Å; F447-L467 HydrophobicContact CE1-CB 4.33Å; F447-L467 HydrophobicContact CE1-CD1 4.15Å; F447-L467 HydrophobicContact CE1-CD2 4.39Å; F447-L573 HydrophobicContact CE1-CD1 3.77Å; F447-L573 HydrophobicContact CE1-CD2 4.46Å; F447-L573 HydrophobicContact CZ-CD1 3.92Å
448	L	82.8	Confident	84.6	Confident	23 Å²	23	63 Å²	63	12%	0.12	31%	0.309	C	S	.	.	H	α-helix	trans	-66	-28.1	-177.9	-73.2	173.7	0	0	0	112.5	N446 R452 L573	N446-L448 PolarHBondContact O-N 3.04Å; L448-R452 WeakPolarHBondContact O-CB 3.34Å; L448-R452 WeakPolarHBondContact O-CD 3.25Å; L448-R452 WeakPolarHBondContact O-CG 3.33Å; L448-R452 PolarHBondContact O-N 2.79Å; L448-R452 VanDerWaalsContact O-N 3.09Å; L448-L573 HydrophobicContact CD2-CB 4Å; L448-L573 HydrophobicContact CD2-CD1 4.21Å
449	E	83.8	Confident	84.6	Confident	106 Å²	106	64.6 Å²	64.6	50%	0.495	32%	0.318	S	S	.	.	H	α-helix	trans	-69.8	-49.8	175.4	-66.4	-53.2	131.3	0	0	110.9	N446 F447 F451 R452 L453	N446-E449 PolarHBondContact O-N 3.26Å; F447-E449 PolarHBondContact O-N 2.71Å; E449-F451 VanDerWaalsContact C-N 3.26Å; E449-F451 PolarHBondContact O-N 2.89Å; E449-R452 WeakPolarHBondContact O-CB 3.48Å; E449-R452 PolarHBondContact O-N 3.43Å; E449-R452 IonicContact OE1-CZ 3.98Å; E449-R452 IonicContact OE1-NH1 2.97Å; E449-R452 PolarHBondContact OE1-NH1 3.49Å; E449-L453 WeakPolarHBondContact O-CG 3.03Å; E449-L453 PolarHBondContact O-N 2.91Å
450	D	85.3	Confident	84.5	Confident	69 Å²	69	64.6 Å²	64.6	37%	0.369	32%	0.318	S	S	.	.	H	α-helix	trans	-59.9	-39.3	176.9	-65.7	-24.5	0	0	0	111.6	N446 F447 R452 L453 L463	N446-D450 PolarHBondContact O-N 3.49Å; F447-D450 PolarHBondContact O-N 2.83Å; D450-R452 VanDerWaalsContact C-N 3.34Å; D450-R452 PolarHBondContact O-N 2.9Å; D450-L453 PolarHBondContact O-N 3.08Å; D450-L463 HydrophobicContact CB-CD2 3.91Å
451	F	89	Confident	84.5	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.009	33%	0.332	C	S	.	.	H	α-helix	trans	-62.2	-40.1	175.7	-169.1	-81.2	0	0	0	112.2	Y412 F447 E449 L453 C454 Y460 L463 V562 R566 V569 I570	Y412-F451 HydrophobicContact CD2-CD2 4.45Å; Y412-F451 AromaticContact CD2-CE2 3.72Å; Y412-F451 HydrophobicContact CD2-CE2 3.72Å; Y412-F451 AromaticContact CE2-CD2 3.96Å; Y412-F451 HydrophobicContact CE2-CD2 3.96Å; Y412-F451 AromaticContact CE2-CE2 3.67Å; Y412-F451 HydrophobicContact CE2-CE2 3.67Å; Y412-F451 HydrophobicContact CG-CE2 4.33Å; F447-F451 HydrophobicContact CE2-CB 4Å; F447-F451 AromaticContact CE2-CD2 3.92Å; F447-F451 HydrophobicContact CE2-CD2 3.92Å; F447-F451 HydrophobicContact CE2-CG 4.39Å; F447-F451 HydrophobicContact CZ-CB 4.26Å; F447-F451 AromaticContact CZ-CD2 3.82Å; F447-F451 HydrophobicContact CZ-CD2 3.82Å; F447-F451 HydrophobicContact CZ-CG 4.33Å; F447-F451 WeakPolarHBondContact O-CB 3.37Å; F447-F451 PolarHBondContact O-N 2.87Å; E449-F451 VanDerWaalsContact C-N 3.26Å; E449-F451 PolarHBondContact O-N 2.89Å; F451-L453 VanDerWaalsContact C-N 3.26Å; F451-L453 PolarHBondContact O-N 3.38Å; F451-C454 WeakPolarHBondContact O-CB 3.45Å; F451-C454 PolarHBondContact O-N 3.35Å; F451-Y460 HydrophobicContact CD1-CE1 4.36Å; F451-Y460 HydrophobicContact CD2-CD1 4.21Å; F451-Y460 HydrophobicContact CD2-CE1 4Å; F451-Y460 AromaticContact CE1-CE1 3.93Å; F451-Y460 HydrophobicContact CE1-CE1 3.93Å; F451-Y460 AromaticContact CE2-CD1 3.81Å; F451-Y460 HydrophobicContact CE2-CD1 3.81Å; F451-Y460 AromaticContact CE2-CE1 3.54Å; F451-Y460 HydrophobicContact CE2-CE1 3.54Å; F451-Y460 HydrophobicContact CG-CE1 4.39Å; F451-Y460 HydrophobicContact CZ-CD1 4.2Å; F451-Y460 AromaticContact CZ-CE1 3.49Å; F451-Y460 HydrophobicContact CZ-CE1 3.49Å; F451-Y460 VanDerWaalsContact CZ-CE1 3.49Å; F451-L463 HydrophobicContact CD2-CD1 4.03Å; F451-V562 HydrophobicContact CE2-CG1 4.01Å; F451-V562 HydrophobicContact CZ-CG1 3.71Å; F451-R566 HydrophobicContact CE1-CB 4.43Å; F451-V569 HydrophobicContact CE1-CB 4.48Å; F451-V569 HydrophobicContact CE1-CG1 4.05Å; F451-V569 HydrophobicContact CE2-CG1 4.04Å; F451-V569 HydrophobicContact CZ-CB 4.14Å; F451-V569 HydrophobicContact CZ-CG1 3.45Å; F451-V569 VanDerWaalsContact CZ-CG1 3.45Å; F451-I570 HydrophobicContact CD1-CD1 4.01Å; F451-I570 HydrophobicContact CD1-CG1 3.58Å; F451-I570 HydrophobicContact CE1-CD1 4.15Å; F451-I570 HydrophobicContact CE1-CG1 3.67Å
452	R	89.5	Confident	84.4	Confident	113 Å²	113	76.6 Å²	76.6	43%	0.426	36%	0.363	S	S	.	.	H	α-helix	trans	-66.9	-26	178.3	-77.8	168.2	-176.8	131.3	6.9	113	L448 E449 D450 C454 I570	L448-R452 WeakPolarHBondContact O-CB 3.34Å; L448-R452 WeakPolarHBondContact O-CD 3.25Å; L448-R452 WeakPolarHBondContact O-CG 3.33Å; L448-R452 PolarHBondContact O-N 2.79Å; L448-R452 VanDerWaalsContact O-N 3.09Å; E449-R452 WeakPolarHBondContact O-CB 3.48Å; E449-R452 PolarHBondContact O-N 3.43Å; E449-R452 IonicContact OE1-CZ 3.98Å; E449-R452 IonicContact OE1-NH1 2.97Å; E449-R452 PolarHBondContact OE1-NH1 3.49Å; D450-R452 VanDerWaalsContact C-N 3.34Å; D450-R452 PolarHBondContact O-N 2.9Å; R452-C454 VanDerWaalsContact C-N 3.27Å; R452-C454 PolarHBondContact O-N 2.87Å; R452-I570 HydrophobicContact CG-CD1 3.91Å
453	L	90.5	Very high	84.8	Confident	121 Å²	121	75.4 Å²	75.4	63%	0.634	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.2	179	-66	174.9	0	0	0	113.6	E449 D450 F451 R455	E449-L453 WeakPolarHBondContact O-CG 3.03Å; E449-L453 PolarHBondContact O-N 2.91Å; D450-L453 PolarHBondContact O-N 3.08Å; F451-L453 VanDerWaalsContact C-N 3.26Å; F451-L453 PolarHBondContact O-N 3.38Å; L453-R455 PolarHBondContact O-N 3.37Å
454	C	91.5	Very high	85.7	Confident	12 Å²	12	73.1 Å²	73.1	8%	0.081	35%	0.346	C	S	.	.			trans	-67	118.6	178.4	-66.6	0	0	0	0	111.5	F451 R452 D459 Y460	F451-C454 WeakPolarHBondContact O-CB 3.45Å; F451-C454 PolarHBondContact O-N 3.35Å; R452-C454 VanDerWaalsContact C-N 3.27Å; R452-C454 PolarHBondContact O-N 2.87Å; C454-D459 HydrophobicContact CB-CB 3.8Å; C454-Y460 HydrophobicContact CB-CD1 4.05Å; C454-Y460 HydrophobicContact CB-CE1 3.55Å; C454-Y460 HydrophobicContact CB-CE2 4.48Å
455	R	91.8	Very high	86.7	Confident	203 Å²	203	71.1 Å²	71.1	77%	0.766	33%	0.332	S	S	*	.			trans	-107.4	-19.4	-178.4	-61.7	-171.9	-177.1	-171.7	0.5	113.1	L453 D459 Y563	L453-R455 PolarHBondContact O-N 3.37Å; R455-D459 PolarHBondContact N-OD2 2.92Å; R455-Y563 WeakPolarHBondContact O-CE2 3.31Å; R455-Y563 PolarHBondContact O-OH 3.1Å
456	R	92.7	Very high	88.2	Confident	182 Å²	182	68.4 Å²	68.4	69%	0.687	31%	0.31	S	S	*	.	S	Bend	trans	-125.4	156.1	178.2	-61.5	179.7	176.5	174.8	-0.7	109.8	D458 D459	R456-D458 VanDerWaalsContact C-N 3.26Å; R456-D458 PolarHBondContact O-N 3.34Å; R456-D459 PolarHBondContact N-OD2 3.07Å; R456-D459 WeakPolarHBondContact O-CB 3.4Å; R456-D459 PolarHBondContact O-N 2.77Å; R456-D459 VanDerWaalsContact O-N 3.15Å
457	S	92.7	Very high	89	Confident	20 Å²	20	63.2 Å²	63.2	14%	0.14	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-36.7	177.5	51.1	0	0	0	0	112.4	D459 Y460 C559 N560	S457-D459 PolarHBondContact O-N 3.05Å; S457-Y460 WeakPolarHBondContact O-CD2 3.23Å; S457-Y460 PolarHBondContact O-N 2.91Å; S457-C559 WeakPolarHBondContact O-CB 3.26Å; S457-N560 WeakPolarHBondContact CB-OD1 3.46Å; S457-N560 PolarHBondContact OG-OD1 3.38Å
458	D	91.7	Very high	89.5	Confident	75 Å²	75	62.8 Å²	62.8	40%	0.401	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.9	177.5	-74.2	-40.4	0	0	0	114.4	R456 Y460 R461	R456-D458 VanDerWaalsContact C-N 3.26Å; R456-D458 PolarHBondContact O-N 3.34Å; D458-Y460 PolarHBondContact O-N 2.87Å; D458-R461 WeakPolarHBondContact O-CB 3.5Å; D458-R461 PolarHBondContact O-N 3.02Å; D458-R461 IonicContact OD1-CZ 3.88Å; D458-R461 IonicContact OD1-NE 3.6Å; D458-R461 IonicContact OD1-NH1 2.88Å; D458-R461 PolarHBondContact OD1-NH1 3.36Å
459	D	92.9	Very high	90	Very high	45 Å²	45	62.5 Å²	62.5	24%	0.241	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-32.4	-179.4	-61.3	-23.2	0	0	0	110.9	C454 R455 R456 S457 R461 R462 L463	C454-D459 HydrophobicContact CB-CB 3.8Å; R455-D459 PolarHBondContact N-OD2 2.92Å; R456-D459 PolarHBondContact N-OD2 3.07Å; R456-D459 WeakPolarHBondContact O-CB 3.4Å; R456-D459 PolarHBondContact O-N 2.77Å; R456-D459 VanDerWaalsContact O-N 3.15Å; S457-D459 PolarHBondContact O-N 3.05Å; D459-R461 PolarHBondContact O-N 3.39Å; D459-R462 PolarHBondContact O-N 2.87Å; D459-L463 PolarHBondContact O-N 3.18Å
460	Y	91.3	Very high	90.5	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-27.3	178.1	-60.7	-63.5	0	0	0	113.2	K419 F451 C454 S457 D458 R462 L463 V562 Y563 R566	K419-Y460 PolarHBondContact NZ-O 3.35Å; F451-Y460 HydrophobicContact CD1-CE1 4.36Å; F451-Y460 HydrophobicContact CD2-CD1 4.21Å; F451-Y460 HydrophobicContact CD2-CE1 4Å; F451-Y460 AromaticContact CE1-CE1 3.93Å; F451-Y460 HydrophobicContact CE1-CE1 3.93Å; F451-Y460 AromaticContact CE2-CD1 3.81Å; F451-Y460 HydrophobicContact CE2-CD1 3.81Å; F451-Y460 AromaticContact CE2-CE1 3.54Å; F451-Y460 HydrophobicContact CE2-CE1 3.54Å; F451-Y460 HydrophobicContact CG-CE1 4.39Å; F451-Y460 HydrophobicContact CZ-CD1 4.2Å; F451-Y460 AromaticContact CZ-CE1 3.49Å; F451-Y460 HydrophobicContact CZ-CE1 3.49Å; F451-Y460 VanDerWaalsContact CZ-CE1 3.49Å; C454-Y460 HydrophobicContact CB-CD1 4.05Å; C454-Y460 HydrophobicContact CB-CE1 3.55Å; C454-Y460 HydrophobicContact CB-CE2 4.48Å; S457-Y460 WeakPolarHBondContact O-CD2 3.23Å; S457-Y460 PolarHBondContact O-N 2.91Å; D458-Y460 PolarHBondContact O-N 2.87Å; Y460-R462 PolarHBondContact O-N 3.08Å; Y460-L463 HydrophobicContact CD1-CD1 3.92Å; Y460-L463 PolarHBondContact O-N 2.03Å; Y460-V562 HydrophobicContact CD1-CG1 4.03Å; Y460-V562 HydrophobicContact CD2-CB 4.33Å; Y460-V562 HydrophobicContact CD2-CG1 4.03Å; Y460-V562 HydrophobicContact CE1-CG1 3.93Å; Y460-V562 HydrophobicContact CE2-CB 4.42Å; Y460-V562 HydrophobicContact CE2-CG1 3.93Å; Y460-V562 HydrophobicContact CG-CG1 4.1Å; Y460-Y563 AromaticContact CE2-CD2 3.96Å; Y460-Y563 HydrophobicContact CE2-CD2 3.96Å; Y460-Y563 HydrophobicContact CE2-CG 4.42Å; Y460-R566 WeakPolarHBondContact OH-CB 3.39Å
461	R	90.1	Very high	90.8	Very high	77 Å²	77	54.1 Å²	54.1	29%	0.291	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-34.1	174.2	-61.2	-177.9	157.6	162.8	-24.1	111.6	K419 D458 D459 D552 E555 S556 C559	K419-R461 VanDerWaalsContact CE-O 3.26Å; K419-R461 WeakPolarHBondContact CE-O 3.28Å; K419-R461 PolarHBondContact NZ-O 2.89Å; D458-R461 WeakPolarHBondContact O-CB 3.5Å; D458-R461 PolarHBondContact O-N 3.02Å; D458-R461 IonicContact OD1-CZ 3.88Å; D458-R461 IonicContact OD1-NE 3.6Å; D458-R461 IonicContact OD1-NH1 2.88Å; D458-R461 PolarHBondContact OD1-NH1 3.36Å; D459-R461 PolarHBondContact O-N 3.39Å; R461-D552 PolarHBondContact NH2-O 2.86Å; R461-E555 HydrophobicContact CG-CG 3.98Å; R461-S556 VanDerWaalsContact NH2-N 3.15Å; R461-S556 PolarHBondContact NH2-OG 2.96Å; R461-C559 WeakPolarHBondContact CG-SG 3.45Å
462	R	88.4	Confident	90.7	Very high	192 Å²	192	56 Å²	56	73%	0.725	25%	0.247	S	C	*	.	H	α-helix	trans	-87	-11.8	-175.4	-59.9	-179.1	-178.2	-176.8	-0.7	113.6	M361 D459 Y460	M361-R462 WeakPolarHBondContact CE-O 3.27Å; D459-R462 PolarHBondContact O-N 2.87Å; Y460-R462 PolarHBondContact O-N 3.08Å
463	L	89.4	Confident	90.8	Very high	15 Å²	15	50.8 Å²	50.8	8%	0.079	23%	0.227	C	C	.	.	S	Bend	trans	-64.2	142.4	175.8	-68.5	-179.8	0	0	0	111.1	K419 D450 F451 D459 Y460	K419-L463 PolarHBondContact NZ-O 3.28Å; D450-L463 HydrophobicContact CB-CD2 3.91Å; F451-L463 HydrophobicContact CD2-CD1 4.03Å; D459-L463 PolarHBondContact O-N 3.18Å; Y460-L463 HydrophobicContact CD1-CD1 3.92Å; Y460-L463 PolarHBondContact O-N 2.03Å
464	P	89.6	Confident	90.7	Very high	36 Å²	36	53.3 Å²	53.3	23%	0.234	23%	0.228	C	C	.	.			trans	-65.5	156	170.9	27.8	-31.3	0	0	0	110	M361 A466	M361-P464 HydrophobicContact CE-CB 3.67Å; M361-P464 VanDerWaalsContact CE-CD 3.47Å; M361-P464 HydrophobicContact CE-CG 4.02Å; M361-P464 VanDerWaalsContact CE-N 3.29Å; M361-P464 WeakPolarHBondContact O-CA 3.33Å; P464-A466 PolarHBondContact O-N 3.45Å
465	V	89.2	Confident	90.5	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.012	25%	0.253	C	S	.	.			trans	-69.2	115.1	165.6	-179.7	0	0	0	0	107.4	M361 A365 E416 K419 M420 L468	M361-V465 PolarHBondContact O-N 2.76Å; A365-V465 HydrophobicContact CB-CB 3.78Å; A365-V465 HydrophobicContact CB-CG1 3.62Å; A365-V465 HydrophobicContact CB-CG2 4.13Å; E416-V465 HydrophobicContact CB-CG1 4.28Å; E416-V465 HydrophobicContact CG-CG1 4.41Å; K419-V465 HydrophobicContact CB-CG2 3.58Å; K419-V465 HydrophobicContact CD-CG2 3.85Å; K419-V465 HydrophobicContact CG-CG2 4.36Å; M420-V465 HydrophobicContact CE-CG1 3.56Å; V465-L468 VanDerWaalsContact CG1-O 3.26Å; V465-L468 WeakPolarHBondContact CG1-O 3.39Å
466	A	86.9	Confident	90.5	Very high	14 Å²	14	49.2 Å²	49.2	12%	0.116	22%	0.223	C	C	.	.			trans	-129.6	-27.9	-171	0	0	0	0	0	113	E416 N442 F447 P464	E416-A466 PolarHBondContact OE1-N 2.85Å; N442-A466 WeakPolarHBondContact CB-O 3.05Å; N442-A466 PolarHBondContact ND2-O 3.09Å; F447-A466 HydrophobicContact CB-CB 3.89Å; F447-A466 HydrophobicContact CD2-CB 3.79Å; F447-A466 HydrophobicContact CG-CB 3.98Å; P464-A466 PolarHBondContact O-N 3.45Å
467	L	88.9	Confident	90.4	Very high	9 Å²	9	44.4 Å²	44.4	5%	0.047	21%	0.208	C	C	.	.	S	Bend	trans	-91.9	-32.3	-174.8	-171.1	66.1	0	0	0	113.1	Y412 F413 E416 F441 N442 F447 L573	Y412-L467 HydrophobicContact CD1-CD2 4.01Å; Y412-L467 HydrophobicContact CE1-CB 4.29Å; Y412-L467 HydrophobicContact CE1-CD2 3.88Å; F413-L467 HydrophobicContact CD1-CD2 4.08Å; F413-L467 HydrophobicContact CE1-CD2 3.65Å; E416-L467 WeakPolarHBondContact OE1-CB 3.31Å; E416-L467 PolarHBondContact OE1-N 3.19Å; E416-L467 WeakPolarHBondContact OE2-CB 3.4Å; E416-L467 PolarHBondContact OE2-N 3.15Å; F441-L467 CarbonylContact C-O 3.53Å; F441-L467 HydrophobicContact CD2-CD1 4.37Å; F441-L467 HydrophobicContact CD2-CG 4.24Å; F441-L467 HydrophobicContact CE1-CD1 4.04Å; F441-L467 HydrophobicContact CE2-CD1 3.67Å; F441-L467 HydrophobicContact CE2-CD2 3.91Å; F441-L467 HydrophobicContact CE2-CG 3.71Å; F441-L467 HydrophobicContact CZ-CD1 3.49Å; F441-L467 VanDerWaalsContact CZ-CD1 3.49Å; F441-L467 HydrophobicContact CZ-CD2 4.36Å; F441-L467 HydrophobicContact CZ-CG 4.07Å; N442-L467 WeakPolarHBondContact CB-O 3Å; N442-L467 PolarHBondContact N-O 3.42Å; F447-L467 HydrophobicContact CD1-CD1 4.28Å; F447-L467 HydrophobicContact CE1-CB 4.33Å; F447-L467 HydrophobicContact CE1-CD1 4.15Å; F447-L467 HydrophobicContact CE1-CD2 4.39Å; L467-L573 HydrophobicContact CD1-CD2 4.4Å; L467-L573 HydrophobicContact CD2-CD2 3.4Å
468	L	92.3	Very high	90.2	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.3	-177.4	-59.7	180	0	0	0	110.8	L391 F413 E416 I417 M420 L440 F441 V465	L391-L468 HydrophobicContact CD1-CD2 4.3Å; L391-L468 HydrophobicContact CD2-CD1 4.33Å; L391-L468 HydrophobicContact CD2-CD2 4.03Å; F413-L468 HydrophobicContact CB-CD1 4.32Å; F413-L468 HydrophobicContact CD1-CD1 4.22Å; F413-L468 HydrophobicContact CG-CD1 4.48Å; E416-L468 HydrophobicContact CB-CD1 4.26Å; E416-L468 VanDerWaalsContact OE2-CB 3.29Å; E416-L468 WeakPolarHBondContact OE2-CB 3.42Å; E416-L468 WeakPolarHBondContact OE2-CG 3.26Å; E416-L468 PolarHBondContact OE2-N 3Å; I417-L468 HydrophobicContact CD1-CD1 4.42Å; I417-L468 HydrophobicContact CG1-CD1 4.02Å; M420-L468 VanDerWaalsContact CE-C 3.44Å; M420-L468 HydrophobicContact CE-CB 3.5Å; M420-L468 WeakPolarHBondContact CE-O 3.46Å; L440-L468 CarbonylContact O-C 3.58Å; L440-L468 WeakPolarHBondContact O-CA 3.46Å; F441-L468 HydrophobicContact CD2-CD2 4.03Å; V465-L468 VanDerWaalsContact CG1-O 3.26Å; V465-L468 WeakPolarHBondContact CG1-O 3.39Å
469	K	92.6	Very high	89.9	Confident	16 Å²	16	50.1 Å²	50.1	7%	0.07	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	118.2	175.1	-168.1	167.6	-168	133.4	0	110.9	N364 A365 F366 A367 Y386 L440	N364-K469 VanDerWaalsContact O-CE 3.25Å; N364-K469 WeakPolarHBondContact O-CE 3.04Å; N364-K469 PolarHBondContact O-NZ 3.41Å; A365-K469 CarbonylContact O-C 3.58Å; A365-K469 VanDerWaalsContact O-CA 3.32Å; A365-K469 WeakPolarHBondContact O-CA 3.33Å; F366-K469 WeakPolarHBondContact O-CE 3.45Å; A367-K469 VanDerWaalsContact CA-CE 3.5Å; A367-K469 HydrophobicContact CB-CD 4.16Å; A367-K469 HydrophobicContact CB-CG 4.11Å; Y386-K469 HydrophobicContact CE1-CD 4.13Å; Y386-K469 HydrophobicContact CE2-CD 3.98Å; Y386-K469 VanDerWaalsContact OH-CE 3.28Å; Y386-K469 WeakPolarHBondContact OH-CE 3.16Å; Y386-K469 PolarHBondContact OH-NZ 2.6Å; L440-K469 HydrophobicContact CB-CB 4.23Å; L440-K469 WeakPolarHBondContact CB-O 3.29Å; L440-K469 PolarHBondContact N-O 3.34Å; L440-K469 PolarHBondContact O-N 3.23Å
470	L	94.1	Very high	89.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	138.5	177	-177.5	61.1	0	0	0	110.6	A365 F366 A367 M420 M424 L434 N438 L439 F473	A365-L470 PolarHBondContact O-N 2.86Å; F366-L470 CarbonylContact C-O 3.59Å; F366-L470 WeakPolarHBondContact CA-O 3.1Å; F366-L470 HydrophobicContact CD1-CB 4.09Å; F366-L470 HydrophobicContact CD1-CD2 4.29Å; F366-L470 HydrophobicContact CE1-CB 4.47Å; F366-L470 HydrophobicContact CE1-CD2 4.13Å; A367-L470 PolarHBondContact N-O 3.1Å; M420-L470 HydrophobicContact SD-CB 3.98Å; M424-L470 HydrophobicContact CE-CD2 3.75Å; M424-L470 HydrophobicContact SD-CD2 3.84Å; L434-L470 HydrophobicContact CD1-CD1 3.53Å; L434-L470 HydrophobicContact CD1-CD2 4.03Å; L434-L470 HydrophobicContact CD1-CG 4.4Å; N438-L470 HydrophobicContact CB-CD1 4.24Å; N438-L470 CarbonylContact O-C 3.55Å; L439-L470 HydrophobicContact CD2-CB 4.25Å; L439-L470 HydrophobicContact CD2-CD1 4.11Å; L470-F473 HydrophobicContact CD2-CZ 4.18Å; L470-F473 HydrophobicContact CG-CE2 4.47Å; L470-F473 HydrophobicContact CG-CZ 4.21Å
471	S	91.8	Very high	89.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.258	C	S	.	.			trans	-139.4	174.2	-174.1	58.4	0	0	0	0	111	P314 H431 N438	P314-S471 WeakPolarHBondContact CB-OG 3.47Å; P314-S471 WeakPolarHBondContact CG-OG 3.38Å; H431-S471 PolarHBondContact CE1-O 3.3Å; H431-S471 VanDerWaalsContact CE1-O 3.24Å; H431-S471 PolarHBondContact NE2-O 2.9Å; N438-S471 PolarHBondContact O-N 3.49Å; N438-S471 PolarHBondContact O-OG 2.92Å
472	N	88	Confident	88.5	Confident	42 Å²	42	54.2 Å²	54.2	23%	0.225	26%	0.261	C	S	.	.			trans	66.2	67	178.4	-169.5	19.1	0	0	0	114.6	P314 H431 N438 R474	P314-N472 HydrophobicContact CB-CB 4.29Å; H431-N472 PolarHBondContact CE1-O 3.49Å; H431-N472 VanDerWaalsContact CE1-O 3.29Å; H431-N472 PolarHBondContact NE2-O 2.79Å; N438-N472 VanDerWaalsContact OD1-CB 3.32Å; N438-N472 WeakPolarHBondContact OD1-CB 3.16Å; N438-N472 PolarHBondContact OD1-ND2 3.44Å; N472-R474 PolarHBondContact O-N 3.29Å
473	F	91.5	Very high	87.4	Confident	2 Å²	2	52 Å²	52	1%	0.009	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-82.2	16.7	178.7	-75.3	-92.9	0	0	0	114.2	L345 M349 F366 L368 V429 H431 L470 L475 A476	L345-F473 HydrophobicContact CD2-CB 4.35Å; L345-F473 HydrophobicContact CD2-CD1 4.45Å; M349-F473 HydrophobicContact CE-CD1 4.16Å; M349-F473 HydrophobicContact CE-CE1 3.42Å; M349-F473 VanDerWaalsContact CE-CE1 3.42Å; M349-F473 HydrophobicContact CE-CZ 3.9Å; M349-F473 HydrophobicContact SD-CD1 3.7Å; M349-F473 HydrophobicContact SD-CE1 3.61Å; M349-F473 HydrophobicContact SD-CZ 4.41Å; F366-F473 HydrophobicContact CB-CE2 4.35Å; F366-F473 HydrophobicContact CB-CZ 4.24Å; F366-F473 HydrophobicContact CD1-CE2 4.4Å; F366-F473 AromaticContact CD1-CZ 3.65Å; F366-F473 HydrophobicContact CD1-CZ 3.65Å; F366-F473 HydrophobicContact CE1-CZ 4.41Å; F366-F473 HydrophobicContact CG-CZ 4.3Å; L368-F473 HydrophobicContact CD2-CD1 4.5Å; L368-F473 HydrophobicContact CD2-CD2 3.85Å; L368-F473 HydrophobicContact CD2-CE1 4.43Å; L368-F473 HydrophobicContact CD2-CE2 3.77Å; L368-F473 HydrophobicContact CD2-CG 4.23Å; L368-F473 HydrophobicContact CD2-CZ 4.1Å; V429-F473 HydrophobicContact CG1-CE1 4.48Å; H431-F473 AromaticContact CD2-CD1 3.76Å; H431-F473 AromaticContact CD2-CE1 3.5Å; H431-F473 AromaticContact CD2-CZ 3.74Å; L470-F473 HydrophobicContact CD2-CZ 4.18Å; L470-F473 HydrophobicContact CG-CE2 4.47Å; L470-F473 HydrophobicContact CG-CZ 4.21Å; F473-L475 VanDerWaalsContact C-N 3.3Å; F473-L475 PolarHBondContact O-N 2.87Å; F473-A476 HydrophobicContact CB-CB 4.12Å; F473-A476 HydrophobicContact CD1-CB 3.7Å; F473-A476 HydrophobicContact CG-CB 4.38Å; F473-A476 WeakPolarHBondContact O-CB 3.46Å; F473-A476 PolarHBondContact O-N 3.5Å; F473-A476 VanDerWaalsContact O-N 3.11Å
474	R	88	Confident	86.4	Confident	174 Å²	174	56.2 Å²	56.2	66%	0.657	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-59.1	-38.5	-173.9	-178.9	-178.5	174.4	-175.1	-0.4	113.6	N472	N472-R474 PolarHBondContact O-N 3.29Å
475	L	87.7	Confident	85.7	Confident	114 Å²	114	54.8 Å²	54.8	60%	0.597	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-98.7	-2.1	-179.7	-61.6	179.8	0	0	0	112.3	Y432 F473	Y432-L475 WeakPolarHBondContact CD2-O 3.4Å; F473-L475 VanDerWaalsContact C-N 3.3Å; F473-L475 PolarHBondContact O-N 2.87Å
476	A	91.6	Very high	84.6	Confident	16 Å²	16	60.3 Å²	60.3	13%	0.132	30%	0.302	C	S	.	.			trans	-70	144.2	-174.5	0	0	0	0	0	110.4	L345 V429 V430 F473	L345-A476 HydrophobicContact CD2-CB 3.57Å; L345-A476 WeakPolarHBondContact CD2-O 3.07Å; V429-A476 HydrophobicContact CG1-CB 4.43Å; V430-A476 CarbonylContact O-C 3.59Å; V430-A476 WeakPolarHBondContact O-CA 3.48Å; V430-A476 WeakPolarHBondContact O-CB 3.34Å; F473-A476 HydrophobicContact CB-CB 4.12Å; F473-A476 HydrophobicContact CD1-CB 3.7Å; F473-A476 HydrophobicContact CG-CB 4.38Å; F473-A476 WeakPolarHBondContact O-CB 3.46Å; F473-A476 PolarHBondContact O-N 3.5Å; F473-A476 VanDerWaalsContact O-N 3.11Å
477	E	89.9	Confident	84.5	Confident	81 Å²	81	63.6 Å²	63.6	38%	0.379	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	140.8	-177.5	-169.7	-177.9	174.8	0	0	109.4	V429 V430 Y432 P480	V429-E477 WeakPolarHBondContact CA-O 3.48Å; V430-E477 PolarHBondContact N-O 2.71Å; V430-E477 PolarHBondContact O-N 2.69Å; Y432-E477 HydrophobicContact CE2-CB 3.78Å; Y432-E477 PolarHBondContact OH-OE2 2.8Å; E477-P480 HydrophobicContact CG-CB 4.27Å; E477-P480 WeakPolarHBondContact OE2-CB 3.38Å
478	Q	89.3	Confident	84.5	Confident	46 Å²	46	65.4 Å²	65.4	22%	0.215	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.1	173.3	-157.2	-175.4	16.2	0	0	110.4	L345 I427 G428 V429	L345-Q478 HydrophobicContact CD1-CB 3.94Å; I427-Q478 PolarHBondContact O-NE2 3.12Å; G428-Q478 CarbonylContact O-C 3.5Å; G428-Q478 WeakPolarHBondContact O-CA 3.28Å; V429-Q478 HydrophobicContact CG2-CB 4.31Å; V429-Q478 HydrophobicContact CG2-CG 3.89Å
479	W	85.1	Confident	84.5	Confident	168 Å²	168	65.9 Å²	65.9	64%	0.636	32%	0.323	S	S	*	.	S	Bend	trans	50.4	54.2	-176.7	-54.4	109	0	0	0	113.8	I427 G428 T481	I427-W479 WeakPolarHBondContact O-CZ2 3.29Å; G428-W479 PolarHBondContact O-N 3.13Å; W479-T481 PolarHBondContact O-N 2.63Å
480	P	85.2	Confident	84.4	Confident	17 Å²	17	65.2 Å²	65.2	11%	0.11	32%	0.32	C	S	.	.			trans	-56.8	138.7	177.1	25.3	-36.3	0	0	0	111.5	V430 E477 S482	V430-P480 HydrophobicContact CB-CG 4.16Å; V430-P480 HydrophobicContact CG2-CG 3.67Å; E477-P480 HydrophobicContact CG-CB 4.27Å; E477-P480 WeakPolarHBondContact OE2-CB 3.38Å; P480-S482 PolarHBondContact O-N 3.46Å
481	T	81.3	Confident	84.1	Confident	142 Å²	142	66.5 Å²	66.5	87%	0.871	33%	0.328	S	S	*	.	S	Bend	trans	-72.6	-13	-175.7	55.1	0	0	0	0	114.1	W479	W479-T481 PolarHBondContact O-N 2.63Å
482	S	77.6	Confident	84.1	Confident	51 Å²	51	67 Å²	67	36%	0.357	33%	0.333	S	S	.	.			trans	-76.4	132.1	-175.5	74.7	0	0	0	0	112	P480 N484 S485	P480-S482 PolarHBondContact O-N 3.46Å; S482-N484 PolarHBondContact O-N 3.23Å; S482-N484 VanDerWaalsContact O-N 3.09Å; S482-S485 VanDerWaalsContact O-CB 3.29Å; S482-S485 WeakPolarHBondContact O-CB 3.48Å; S482-S485 PolarHBondContact O-N 3.4Å; S482-S485 VanDerWaalsContact O-N 3.08Å; S482-S485 PolarHBondContact O-OG 2.94Å; S482-S485 WeakPolarHBondContact OG-CB 3.38Å; S482-S485 PolarHBondContact OG-N 2.93Å
483	E	66.3	Low	84.4	Confident	146 Å²	146	65 Å²	65	68%	0.682	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-24	174.6	-73.3	-166.5	-176.5	0	0	112.9	K544	E483-K544 IonicContact OE2-NZ 3.69Å; E483-K544 PolarHBondContact OE2-NZ 3.31Å
484	N	68.4	Low	84.5	Confident	103 Å²	103	64.9 Å²	64.9	55%	0.551	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.2	-178.7	-69.5	-29.3	0	0	0	113.8	S482 N486 W487 I488	S482-N484 PolarHBondContact O-N 3.23Å; S482-N484 VanDerWaalsContact O-N 3.09Å; N484-N486 VanDerWaalsContact C-N 3.28Å; N484-N486 PolarHBondContact O-N 3.08Å; N484-W487 HydrophobicContact CB-CZ2 4.43Å; N484-W487 VanDerWaalsContact O-CD1 3.22Å; N484-W487 PolarHBondContact O-NE1 3.21Å; N484-W487 VanDerWaalsContact O-NE1 3.08Å; N484-I488 WeakPolarHBondContact O-CG1 3.03Å
485	S	74.8	Confident	84.6	Confident	5 Å²	5	61.7 Å²	61.7	4%	0.035	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-61.9	-34.6	-177.3	58.5	0	0	0	0	113.6	S482 W487 I488	S482-S485 VanDerWaalsContact O-CB 3.29Å; S482-S485 WeakPolarHBondContact O-CB 3.48Å; S482-S485 PolarHBondContact O-N 3.4Å; S482-S485 VanDerWaalsContact O-N 3.08Å; S482-S485 PolarHBondContact O-OG 2.94Å; S482-S485 WeakPolarHBondContact OG-CB 3.38Å; S482-S485 PolarHBondContact OG-N 2.93Å; S485-W487 PolarHBondContact O-N 2.97Å; S485-I488 PolarHBondContact O-N 2.96Å
486	N	66.4	Low	84.9	Confident	119 Å²	119	56.4 Å²	56.4	64%	0.636	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-61.7	-19	-170.5	-72.7	-22.8	0	0	0	115.5	N484	N484-N486 VanDerWaalsContact C-N 3.28Å; N484-N486 PolarHBondContact O-N 3.08Å
487	W	83.2	Confident	85	Confident	83 Å²	83	55.6 Å²	55.6	31%	0.314	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-117.8	-1.1	-177.7	59	-80.8	0	0	0	113.5	N484 S485 N489 S490 V491 P542 V547	N484-W487 HydrophobicContact CB-CZ2 4.43Å; N484-W487 VanDerWaalsContact O-CD1 3.22Å; N484-W487 PolarHBondContact O-NE1 3.21Å; N484-W487 VanDerWaalsContact O-NE1 3.08Å; S485-W487 PolarHBondContact O-N 2.97Å; W487-N489 PolarHBondContact O-N 3.35Å; W487-S490 WeakPolarHBondContact O-CB 3.37Å; W487-S490 PolarHBondContact O-N 3.44Å; W487-S490 VanDerWaalsContact O-N 3.09Å; W487-V491 HydrophobicContact CD2-CG2 4.32Å; W487-V491 HydrophobicContact CE3-CG2 3.13Å; W487-V491 HydrophobicContact CZ3-CG2 3.26Å; W487-V491 WeakPolarHBondContact O-CG2 3.43Å; W487-V491 PolarHBondContact O-N 3.28Å; W487-P542 HydrophobicContact CB-CG 3.8Å; W487-P542 HydrophobicContact CD2-CG 4.39Å; W487-P542 HydrophobicContact CG-CG 4Å; W487-V547 HydrophobicContact CB-CG2 4.33Å
488	I	89.1	Confident	85.1	Confident	47 Å²	47	52.2 Å²	52.2	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-47.2	-178.7	-67.3	179.3	0	0	0	111.1	V430 Y432 N484 S485 S490 V491 G492	V430-I488 HydrophobicContact CG1-CB 3.88Å; V430-I488 HydrophobicContact CG1-CD1 4.18Å; V430-I488 HydrophobicContact CG1-CG2 3.84Å; Y432-I488 HydrophobicContact CD1-CD1 3.97Å; Y432-I488 HydrophobicContact CD1-CG2 4.23Å; Y432-I488 HydrophobicContact CE1-CD1 3.62Å; N484-I488 WeakPolarHBondContact O-CG1 3.03Å; S485-I488 PolarHBondContact O-N 2.96Å; I488-S490 VanDerWaalsContact C-N 3.28Å; I488-S490 PolarHBondContact O-N 3.31Å; I488-V491 PolarHBondContact O-N 3.16Å; I488-G492 PolarHBondContact O-N 3.48Å
489	N	92.1	Very high	85.2	Confident	11 Å²	11	51.1 Å²	51.1	6%	0.059	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-37.4	177.1	-67.2	-16.3	0	0	0	111.3	V421 M424 V429 H431 L434 W487 V491 G492 M493	V421-N489 HydrophobicContact CG1-CB 4.04Å; V421-N489 HydrophobicContact CG2-CB 4.26Å; M424-N489 HydrophobicContact CE-CB 4.29Å; V429-N489 PolarHBondContact O-ND2 3.13Å; H431-N489 PolarHBondContact N-OD1 2.98Å; L434-N489 WeakPolarHBondContact CD2-O 3.45Å; W487-N489 PolarHBondContact O-N 3.35Å; N489-V491 PolarHBondContact O-N 2.99Å; N489-G492 PolarHBondContact O-N 3.28Å; N489-M493 PolarHBondContact O-N 3.12Å
490	S	91	Very high	85.6	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-67.2	-36	178.2	-46.3	0	0	0	0	112.5	W487 I488 M493 A494 V547	W487-S490 WeakPolarHBondContact O-CB 3.37Å; W487-S490 PolarHBondContact O-N 3.44Å; W487-S490 VanDerWaalsContact O-N 3.09Å; I488-S490 VanDerWaalsContact C-N 3.28Å; I488-S490 PolarHBondContact O-N 3.31Å; S490-M493 PolarHBondContact O-N 3.4Å; S490-A494 PolarHBondContact O-N 2.99Å; S490-A494 VanDerWaalsContact O-N 3.09Å; S490-V547 WeakPolarHBondContact OG-CG1 3.31Å
491	V	89	Confident	85.9	Confident	28 Å²	28	43.6 Å²	43.6	17%	0.17	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-46.6	170.6	176.9	0	0	0	0	110.7	W487 I488 N489 M493 A494 R495	W487-V491 HydrophobicContact CD2-CG2 4.32Å; W487-V491 HydrophobicContact CE3-CG2 3.13Å; W487-V491 HydrophobicContact CZ3-CG2 3.26Å; W487-V491 WeakPolarHBondContact O-CG2 3.43Å; W487-V491 PolarHBondContact O-N 3.28Å; I488-V491 PolarHBondContact O-N 3.16Å; N489-V491 PolarHBondContact O-N 2.99Å; V491-M493 VanDerWaalsContact C-N 3.25Å; V491-M493 PolarHBondContact O-N 3.3Å; V491-A494 PolarHBondContact O-N 3.24Å; V491-A494 VanDerWaalsContact O-N 3.11Å; V491-R495 HydrophobicContact CG1-CG 4.22Å; V491-R495 WeakPolarHBondContact O-CG 3.43Å; V491-R495 PolarHBondContact O-N 2.71Å
492	G	91.9	Very high	86.1	Confident	10 Å²	10	38.2 Å²	38.2	10%	0.103	20%	0.196	C	C	.	.	H	α-helix	trans	-54.4	-44.3	176.2	0	0	0	0	0	111.5	L434 I488 N489 R495 C496	L434-G492 WeakPolarHBondContact O-CA 3.48Å; I488-G492 PolarHBondContact O-N 3.48Å; N489-G492 PolarHBondContact O-N 3.28Å; G492-R495 PolarHBondContact O-N 2.96Å; G492-C496 WeakPolarHBondContact O-CB 3.29Å; G492-C496 PolarHBondContact O-N 2.89Å; G492-C496 PolarHBondContact O-SG 2.94Å
493	M	93.9	Very high	86.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-48.5	173.9	171.2	-178.2	75.7	0	0	112.8	L414 I417 L418 V421 L434 N489 S490 V491 R495 C496 I497 F535 F539	L414-M493 HydrophobicContact CD1-CE 4.42Å; L414-M493 HydrophobicContact CD1-CG 3.86Å; L414-M493 HydrophobicContact CD1-SD 3.78Å; I417-M493 HydrophobicContact CB-CG 4.22Å; I417-M493 HydrophobicContact CG2-CB 3.69Å; I417-M493 HydrophobicContact CG2-CG 3.52Å; I417-M493 HydrophobicContact CG2-SD 4.2Å; L418-M493 HydrophobicContact CB-SD 4.32Å; L418-M493 HydrophobicContact CD2-CE 3.63Å; L418-M493 HydrophobicContact CD2-SD 3.46Å; L418-M493 WeakPolarHBondContact CD2-SD 3.18Å; L418-M493 HydrophobicContact CG-CE 4.35Å; L418-M493 HydrophobicContact CG-SD 3.61Å; V421-M493 HydrophobicContact CG2-CB 3.99Å; V421-M493 HydrophobicContact CG2-SD 4.14Å; L434-M493 HydrophobicContact CD2-CB 4.17Å; N489-M493 PolarHBondContact O-N 3.12Å; S490-M493 PolarHBondContact O-N 3.4Å; V491-M493 VanDerWaalsContact C-N 3.25Å; V491-M493 PolarHBondContact O-N 3.3Å; M493-R495 VanDerWaalsContact C-N 3.31Å; M493-R495 PolarHBondContact O-N 3.13Å; M493-C496 WeakPolarHBondContact O-CB 3.47Å; M493-C496 PolarHBondContact O-N 3.49Å; M493-I497 WeakPolarHBondContact O-CG1 3.48Å; M493-I497 PolarHBondContact O-N 3.18Å; M493-F535 HydrophobicContact CE-CE2 4.06Å; M493-F535 HydrophobicContact CE-CZ 4.19Å; M493-F535 HydrophobicContact CG-CZ 4.49Å; M493-F539 HydrophobicContact CE-CD1 4.28Å; M493-F539 HydrophobicContact CE-CD2 4.07Å; M493-F539 HydrophobicContact CE-CE1 3.99Å; M493-F539 HydrophobicContact CE-CE2 3.79Å; M493-F539 HydrophobicContact CE-CG 4.29Å; M493-F539 HydrophobicContact CE-CZ 3.73Å
494	A	92.1	Very high	87.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.2	-41.2	178	0	0	0	0	0	111.7	S490 V491 Y498 F535 F536 F539	S490-A494 PolarHBondContact O-N 2.99Å; S490-A494 VanDerWaalsContact O-N 3.09Å; V491-A494 PolarHBondContact O-N 3.24Å; V491-A494 VanDerWaalsContact O-N 3.11Å; A494-Y498 WeakPolarHBondContact O-CB 3.49Å; A494-Y498 PolarHBondContact O-N 3.07Å; A494-F535 HydrophobicContact CB-CE1 4.3Å; A494-F535 HydrophobicContact CB-CZ 4.43Å; A494-F536 WeakPolarHBondContact O-CE1 3.46Å; A494-F539 HydrophobicContact CB-CB 4.27Å
495	R	91.1	Very high	87.6	Confident	107 Å²	107	33.2 Å²	33.2	40%	0.404	18%	0.178	S	C	.	.	H	α-helix	trans	-63.6	-47.2	175.2	-67.3	-179.9	75.9	167.9	1	111.7	V491 G492 M493 I497 Y498 S499 D505 L506	V491-R495 HydrophobicContact CG1-CG 4.22Å; V491-R495 WeakPolarHBondContact O-CG 3.43Å; V491-R495 PolarHBondContact O-N 2.71Å; G492-R495 PolarHBondContact O-N 2.96Å; M493-R495 VanDerWaalsContact C-N 3.31Å; M493-R495 PolarHBondContact O-N 3.13Å; R495-I497 VanDerWaalsContact C-N 3.35Å; R495-I497 PolarHBondContact O-N 3.24Å; R495-Y498 PolarHBondContact O-N 2.98Å; R495-S499 WeakPolarHBondContact O-CB 3.41Å; R495-S499 PolarHBondContact O-N 2.97Å; R495-S499 PolarHBondContact O-OG 2.97Å; R495-D505 IonicContact CZ-OD1 2.75Å; R495-D505 IonicContact CZ-OD2 2.8Å; R495-D505 IonicContact NE-OD1 2.83Å; R495-D505 PolarHBondContact NE-OD1 3.45Å; R495-D505 IonicContact NH2-OD1 3.37Å; R495-D505 PolarHBondContact NH2-OD1 3.41Å; R495-D505 IonicContact NH2-OD2 3.1Å; R495-D505 PolarHBondContact NH2-OD2 2.94Å; R495-L506 HydrophobicContact CG-CB 4.07Å; R495-L506 HydrophobicContact CG-CD2 4.18Å
496	C	93.5	Very high	87.6	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.014	18%	0.178	C	C	.	.	H	α-helix	trans	-52.6	-53	175.8	-76	0	0	0	0	111.4	I417 L434 D435 L436 L439 G492 M493 Y498 S499 C500	I417-C496 HydrophobicContact CD1-CB 4.06Å; L434-C496 PolarHBondContact O-SG 2.71Å; L434-C496 VanDerWaalsContact O-SG 3.41Å; D435-C496 VanDerWaalsContact C-SG 3.5Å; D435-C496 WeakPolarHBondContact CA-SG 2.95Å; L436-C496 HydrophobicContact CD2-CB 4.11Å; L439-C496 HydrophobicContact CD1-CB 4.4Å; G492-C496 WeakPolarHBondContact O-CB 3.29Å; G492-C496 PolarHBondContact O-N 2.89Å; G492-C496 PolarHBondContact O-SG 2.94Å; M493-C496 WeakPolarHBondContact O-CB 3.47Å; M493-C496 PolarHBondContact O-N 3.49Å; C496-Y498 PolarHBondContact O-N 3.46Å; C496-S499 PolarHBondContact O-N 3.43Å; C496-C500 PolarHBondContact O-N 3.29Å
497	I	94.5	Very high	87.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.9	-39.2	-176	-64.6	-62.1	0	0	0	111.6	F413 L414 I417 M493 R495 C500 I501 W532 F535 F536	F413-I497 HydrophobicContact CB-CD1 3.93Å; L414-I497 HydrophobicContact CB-CD1 3.86Å; L414-I497 HydrophobicContact CB-CG1 4Å; L414-I497 HydrophobicContact CD1-CG1 4.01Å; I417-I497 HydrophobicContact CD1-CD1 3.79Å; I417-I497 HydrophobicContact CD1-CG1 4.25Å; M493-I497 WeakPolarHBondContact O-CG1 3.48Å; M493-I497 PolarHBondContact O-N 3.18Å; R495-I497 VanDerWaalsContact C-N 3.35Å; R495-I497 PolarHBondContact O-N 3.24Å; I497-C500 WeakPolarHBondContact O-CB 3.36Å; I497-C500 PolarHBondContact O-N 3.43Å; I497-I501 HydrophobicContact CG2-CD1 3.77Å; I497-I501 WeakPolarHBondContact O-CD1 3.44Å; I497-I501 WeakPolarHBondContact O-CG1 3.29Å; I497-I501 PolarHBondContact O-N 2.94Å; I497-W532 HydrophobicContact CG2-CE3 4.46Å; I497-W532 HydrophobicContact CG2-CH2 3.82Å; I497-W532 HydrophobicContact CG2-CZ3 3.41Å; I497-W532 VanDerWaalsContact CG2-CZ3 3.41Å; I497-F535 HydrophobicContact CB-CE1 4.48Å; I497-F536 HydrophobicContact CB-CE1 4.48Å; I497-F536 HydrophobicContact CG2-CE1 4.34Å; I497-F536 HydrophobicContact CG2-CZ 4.14Å
498	Y	92	Very high	86.5	Confident	10 Å²	10	34 Å²	34	4%	0.039	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-47.1	172.8	-174.8	-92.2	0	0	0	111.7	A494 R495 C496 C500 I501 C502 D504 D505 L506 C519 R522 F536	A494-Y498 WeakPolarHBondContact O-CB 3.49Å; A494-Y498 PolarHBondContact O-N 3.07Å; R495-Y498 PolarHBondContact O-N 2.98Å; C496-Y498 PolarHBondContact O-N 3.46Å; Y498-C500 VanDerWaalsContact C-N 3.29Å; Y498-C500 PolarHBondContact O-N 3.06Å; Y498-I501 PolarHBondContact O-N 3.29Å; Y498-I501 VanDerWaalsContact O-N 3.1Å; Y498-C502 HydrophobicContact CD1-CB 4.27Å; Y498-C502 HydrophobicContact CE1-CB 3.88Å; Y498-C502 HydrophobicContact CE2-CB 4.43Å; Y498-C502 WeakPolarHBondContact O-CB 3.38Å; Y498-C502 PolarHBondContact O-N 3.47Å; Y498-D504 HydrophobicContact CE1-CB 4.43Å; Y498-D505 WeakPolarHBondContact CE1-O 3.46Å; Y498-L506 VanDerWaalsContact CD1-CA 3.46Å; Y498-L506 HydrophobicContact CD1-CB 3.68Å; Y498-L506 HydrophobicContact CD1-CD1 3.88Å; Y498-L506 HydrophobicContact CD1-CG 4.39Å; Y498-L506 HydrophobicContact CD2-CD1 3.38Å; Y498-L506 HydrophobicContact CE1-CB 4.3Å; Y498-L506 HydrophobicContact CE1-CD1 4.15Å; Y498-L506 HydrophobicContact CE2-CD1 3.68Å; Y498-L506 HydrophobicContact CG-CB 3.87Å; Y498-L506 HydrophobicContact CG-CD1 3.47Å; Y498-L506 VanDerWaalsContact CG-CD1 3.47Å; Y498-L506 HydrophobicContact CG-CG 4.21Å; Y498-C519 HydrophobicContact CE2-CB 4.19Å; Y498-R522 WeakPolarHBondContact OH-CD 3.36Å; Y498-F536 HydrophobicContact CD2-CE1 4.31Å; Y498-F536 HydrophobicContact CD2-CE2 4.42Å; Y498-F536 HydrophobicContact CD2-CZ 4.26Å
499	S	91.2	Very high	84.7	Confident	22 Å²	22	37.8 Å²	37.8	15%	0.154	20%	0.2	C	C	.	.	H	α-helix	trans	-66	-28.5	177.3	-64.1	0	0	0	0	113.2	R399 R495 C496 G503 D504	R399-S499 PolarHBondContact NH2-O 3.04Å; R495-S499 WeakPolarHBondContact O-CB 3.41Å; R495-S499 PolarHBondContact O-N 2.97Å; R495-S499 PolarHBondContact O-OG 2.97Å; C496-S499 PolarHBondContact O-N 3.43Å; S499-G503 VanDerWaalsContact O-CA 3.28Å; S499-G503 WeakPolarHBondContact O-CA 3.43Å; S499-G503 PolarHBondContact O-N 3.46Å; S499-D504 VanDerWaalsContact CA-O 3.22Å; S499-D504 WeakPolarHBondContact CA-O 3.41Å; S499-D504 WeakPolarHBondContact CB-O 3.48Å; S499-D504 PolarHBondContact OG-O 3.05Å
500	C	92.7	Very high	83	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-49.3	168.5	-84.7	0	0	0	0	110.8	M395 R399 F410 L436 C496 I497 Y498	M395-C500 WeakPolarHBondContact CE-O 3.32Å; R399-C500 PolarHBondContact NH2-O 3.34Å; F410-C500 HydrophobicContact CD1-CB 3.88Å; F410-C500 HydrophobicContact CE1-CB 3.98Å; L436-C500 WeakPolarHBondContact CD2-SG 3.37Å; C496-C500 PolarHBondContact O-N 3.29Å; I497-C500 WeakPolarHBondContact O-CB 3.36Å; I497-C500 PolarHBondContact O-N 3.43Å; Y498-C500 VanDerWaalsContact C-N 3.29Å; Y498-C500 PolarHBondContact O-N 3.06Å
501	I	91.7	Very high	81.3	Confident	27 Å²	27	47.9 Å²	47.9	14%	0.138	24%	0.237	C	C	.	.	H	α-helix	trans	-73.5	-52.3	-173.4	-63.6	159.8	0	0	0	111.1	F410 I497 Y498 L523 W527 W532 F536	F410-I501 HydrophobicContact CB-CD1 4.33Å; F410-I501 HydrophobicContact CB-CG1 4.05Å; F410-I501 HydrophobicContact CD1-CG1 3.63Å; F410-I501 HydrophobicContact CD2-CG1 4.36Å; F410-I501 HydrophobicContact CE1-CG1 4.12Å; F410-I501 HydrophobicContact CG-CG1 3.75Å; I497-I501 HydrophobicContact CG2-CD1 3.77Å; I497-I501 WeakPolarHBondContact O-CD1 3.44Å; I497-I501 WeakPolarHBondContact O-CG1 3.29Å; I497-I501 PolarHBondContact O-N 2.94Å; Y498-I501 PolarHBondContact O-N 3.29Å; Y498-I501 VanDerWaalsContact O-N 3.1Å; I501-L523 HydrophobicContact CD1-CD2 4.43Å; I501-L523 HydrophobicContact CG2-CD2 3.75Å; I501-W527 HydrophobicContact CB-CH2 4.45Å; I501-W527 HydrophobicContact CB-CZ3 4.4Å; I501-W527 HydrophobicContact CD1-CH2 4.45Å; I501-W527 HydrophobicContact CD1-CZ3 3.83Å; I501-W527 HydrophobicContact CG1-CH2 3.95Å; I501-W527 HydrophobicContact CG1-CZ3 3.82Å; I501-W527 HydrophobicContact CG2-CH2 3.76Å; I501-W527 HydrophobicContact CG2-CZ3 3.64Å; I501-W532 HydrophobicContact CD1-CD2 4.41Å; I501-W532 HydrophobicContact CD1-CE3 4.04Å; I501-W532 HydrophobicContact CD1-CH2 3.99Å; I501-W532 HydrophobicContact CD1-CZ2 4.35Å; I501-W532 HydrophobicContact CD1-CZ3 3.84Å; I501-F536 HydrophobicContact CD1-CE2 4.39Å; I501-F536 HydrophobicContact CD1-CZ 3.93Å
502	C	86.6	Confident	79.8	Confident	29 Å²	29	52 Å²	52	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-92.5	-23.2	-169.4	-60.2	0	0	0	0	113.3	Y498 D504	Y498-C502 HydrophobicContact CD1-CB 4.27Å; Y498-C502 HydrophobicContact CE1-CB 3.88Å; Y498-C502 HydrophobicContact CE2-CB 4.43Å; Y498-C502 WeakPolarHBondContact O-CB 3.38Å; Y498-C502 PolarHBondContact O-N 3.47Å; C502-D504 PolarHBondContact O-N 2.88Å
503	G	85.5	Confident	78.4	Confident	34 Å²	34	60.8 Å²	60.8	35%	0.351	29%	0.294	S	S	.	.	S	Bend	trans	76.6	2.2	-173.3	0	0	0	0	0	115.2	S499	S499-G503 VanDerWaalsContact O-CA 3.28Å; S499-G503 WeakPolarHBondContact O-CA 3.43Å; S499-G503 PolarHBondContact O-N 3.46Å
504	D	80.5	Confident	76.8	Confident	78 Å²	78	63.6 Å²	63.6	42%	0.417	31%	0.312	S	S	.	.	S	Bend	trans	-112.9	162.7	177.7	-66.4	-25.5	0	0	0	110.3	Y498 S499 C502 R522	Y498-D504 HydrophobicContact CE1-CB 4.43Å; S499-D504 VanDerWaalsContact CA-O 3.22Å; S499-D504 WeakPolarHBondContact CA-O 3.41Å; S499-D504 WeakPolarHBondContact CB-O 3.48Å; S499-D504 PolarHBondContact OG-O 3.05Å; C502-D504 PolarHBondContact O-N 2.88Å; D504-R522 IonicContact OD2-CZ 3.76Å; D504-R522 IonicContact OD2-NH1 2.69Å; D504-R522 PolarHBondContact OD2-NH1 3.31Å
505	D	76.2	Confident	75.3	Confident	82 Å²	82	72.6 Å²	72.6	44%	0.439	35%	0.345	S	S	.	.			trans	-68.5	149.2	166.5	-165.4	8.7	0	0	0	109.5	R495 Y498 E507	R495-D505 IonicContact CZ-OD1 2.75Å; R495-D505 IonicContact CZ-OD2 2.8Å; R495-D505 IonicContact NE-OD1 2.83Å; R495-D505 PolarHBondContact NE-OD1 3.45Å; R495-D505 IonicContact NH2-OD1 3.37Å; R495-D505 PolarHBondContact NH2-OD1 3.41Å; R495-D505 IonicContact NH2-OD2 3.1Å; R495-D505 PolarHBondContact NH2-OD2 2.94Å; Y498-D505 WeakPolarHBondContact CE1-O 3.46Å; D505-E507 PolarHBondContact O-N 3.1Å
506	L	75.3	Confident	73.9	Confident	10 Å²	10	72.1 Å²	72.1	5%	0.052	35%	0.35	C	S	.	.			trans	-72.4	85.2	175.2	-179	68.3	0	0	0	108.3	R495 Y498 L508	R495-L506 HydrophobicContact CG-CB 4.07Å; R495-L506 HydrophobicContact CG-CD2 4.18Å; Y498-L506 VanDerWaalsContact CD1-CA 3.46Å; Y498-L506 HydrophobicContact CD1-CB 3.68Å; Y498-L506 HydrophobicContact CD1-CD1 3.88Å; Y498-L506 HydrophobicContact CD1-CG 4.39Å; Y498-L506 HydrophobicContact CD2-CD1 3.38Å; Y498-L506 HydrophobicContact CE1-CB 4.3Å; Y498-L506 HydrophobicContact CE1-CD1 4.15Å; Y498-L506 HydrophobicContact CE2-CD1 3.68Å; Y498-L506 HydrophobicContact CG-CB 3.87Å; Y498-L506 HydrophobicContact CG-CD1 3.47Å; Y498-L506 VanDerWaalsContact CG-CD1 3.47Å; Y498-L506 HydrophobicContact CG-CG 4.21Å; L506-L508 HydrophobicContact CD2-CD2 4.38Å; L506-L508 HydrophobicContact CG-CD2 4.44Å; L506-L508 PolarHBondContact O-N 3.45Å
507	E	66.4	Low	72.6	Confident	125 Å²	125	72.7 Å²	72.7	58%	0.584	35%	0.353	S	S	*	.			trans	-65.4	116.9	164.2	-70.3	-169.4	174.1	0	0	107.8	D505 Q509	D505-E507 PolarHBondContact O-N 3.1Å; E507-Q509 HydrophobicContact CB-CG 4.23Å; E507-Q509 PolarHBondContact O-N 2.92Å; E507-Q509 PolarHBondContact OE2-NE2 2.8Å
508	L	59.5	Low	71.3	Confident	89 Å²	89	75 Å²	75	47%	0.466	37%	0.366	S	S	.	.			trans	-71	67.2	174.5	-62.7	168.5	0	0	0	109.2	L506 R510 I517 P540	L506-L508 HydrophobicContact CD2-CD2 4.38Å; L506-L508 HydrophobicContact CG-CD2 4.44Å; L506-L508 PolarHBondContact O-N 3.45Å; L508-R510 VanDerWaalsContact C-N 3.27Å; L508-R510 PolarHBondContact O-N 3.38Å; L508-I517 HydrophobicContact CD2-CD1 3.33Å; L508-I517 HydrophobicContact CD2-CG1 3.95Å; L508-P540 HydrophobicContact CD2-CB 3.79Å; L508-P540 HydrophobicContact CD2-CG 4.07Å
509	Q	52.5	Low	70.5	Confident	126 Å²	126	74.7 Å²	74.7	59%	0.589	37%	0.365	S	S	*	.			trans	-70.7	92.9	169.8	-66.5	-160.8	2.4	0	0	107.5	E507 R511	E507-Q509 HydrophobicContact CB-CG 4.23Å; E507-Q509 PolarHBondContact O-N 2.92Å; E507-Q509 PolarHBondContact OE2-NE2 2.8Å; Q509-R511 PolarHBondContact O-N 3.43Å
510	R	56.1	Low	69.5	Low	136 Å²	136	75.2 Å²	75.2	51%	0.513	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-70.4	123.9	173.9	-73.8	-175.1	175.8	177.4	-1.6	108	L508	L508-R510 VanDerWaalsContact C-N 3.27Å; L508-R510 PolarHBondContact O-N 3.38Å
511	R	56	Low	68.8	Low	90 Å²	90	82 Å²	82	34%	0.34	40%	0.403	S	S	.	.			trans	-51	129.5	168.2	-77.5	-174.7	173.4	-161.4	4.2	108.8	Q509 W513 T514 R515 L516 D518	Q509-R511 PolarHBondContact O-N 3.43Å; R511-W513 PolarHBondContact O-N 2.92Å; R511-W513 VanDerWaalsContact O-N 3.08Å; R511-T514 VanDerWaalsContact CB-OG1 3.26Å; R511-T514 WeakPolarHBondContact CB-OG1 3.42Å; R511-T514 PolarHBondContact O-N 3.25Å; R511-R515 VanDerWaalsContact O-CA 3.3Å; R511-R515 WeakPolarHBondContact O-CA 3.28Å; R511-R515 PolarHBondContact O-N 3.42Å; R511-L516 PolarHBondContact N-O 3.13Å; R511-D518 HydrophobicContact CG-CB 4.09Å; R511-D518 IonicContact CZ-OD2 3.33Å; R511-D518 IonicContact NE-OD2 3.93Å; R511-D518 PolarHBondContact NE-OD2 2.97Å; R511-D518 IonicContact NH2-OD1 2.69Å; R511-D518 IonicContact NH2-OD2 3.91Å; R511-D518 PolarHBondContact NH2-OD2 3.28Å
512	P	56.8	Low	68.4	Low	113 Å²	113	86.4 Å²	86.4	73%	0.734	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.2	-175	-26.4	31.5	0	0	0	113.7
513	W	61.8	Low	68.3	Low	195 Å²	195	85.2 Å²	85.2	74%	0.739	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-31.6	-175.4	53.3	96	0	0	0	114.8	R511	R511-W513 PolarHBondContact O-N 2.92Å; R511-W513 VanDerWaalsContact O-N 3.08Å
514	T	61.6	Low	68.4	Low	60 Å²	60	86 Å²	86	37%	0.368	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-16.8	179.6	61	0	0	0	0	114.1	R511 L516	R511-T514 VanDerWaalsContact CB-OG1 3.26Å; R511-T514 WeakPolarHBondContact CB-OG1 3.42Å; R511-T514 PolarHBondContact O-N 3.25Å; T514-L516 HydrophobicContact CG2-CD1 4.37Å; T514-L516 PolarHBondContact O-N 3.12Å; T514-L516 WeakPolarHBondContact OG1-CB 3.29Å; T514-L516 PolarHBondContact OG1-N 3.05Å
515	R	59.3	Low	68.6	Low	188 Å²	188	91.1 Å²	91.1	71%	0.709	43%	0.428	S	S	*	.			trans	54.7	10.1	-164.7	-58.8	-179.2	179.8	176.3	0.5	114.7	R511	R511-R515 VanDerWaalsContact O-CA 3.3Å; R511-R515 WeakPolarHBondContact O-CA 3.28Å; R511-R515 PolarHBondContact O-N 3.42Å
516	L	61.6	Low	69.2	Low	97 Å²	97	91.9 Å²	91.9	51%	0.508	44%	0.44	S	S	.	.			trans	-77.1	147.7	175.2	-66.9	166.6	0	0	0	109.5	R511 T514	R511-L516 PolarHBondContact N-O 3.13Å; T514-L516 HydrophobicContact CG2-CD1 4.37Å; T514-L516 PolarHBondContact O-N 3.12Å; T514-L516 WeakPolarHBondContact OG1-CB 3.29Å; T514-L516 PolarHBondContact OG1-N 3.05Å
517	I	66.1	Low	70	Confident	14 Å²	14	92.5 Å²	92.5	7%	0.072	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-78.2	134.5	171.5	-61.2	160.3	0	0	0	106.3	L508 F536 S537 P540	L508-I517 HydrophobicContact CD2-CD1 3.33Å; L508-I517 HydrophobicContact CD2-CG1 3.95Å; I517-F536 WeakPolarHBondContact CD1-O 3.43Å; I517-S537 PolarHBondContact O-OG 3.22Å; I517-P540 HydrophobicContact CD1-CB 3.55Å; I517-P540 HydrophobicContact CD1-CG 3.49Å; I517-P540 VanDerWaalsContact CD1-CG 3.49Å
518	D	68.7	Low	71.3	Confident	49 Å²	49	90 Å²	90	26%	0.262	43%	0.432	S	S	.	.			trans	-131.4	116.3	-179.7	-178	21	0	0	0	110.3	R511 T520	R511-D518 HydrophobicContact CG-CB 4.09Å; R511-D518 IonicContact CZ-OD2 3.33Å; R511-D518 IonicContact NE-OD2 3.93Å; R511-D518 PolarHBondContact NE-OD2 2.97Å; R511-D518 IonicContact NH2-OD1 2.69Å; R511-D518 IonicContact NH2-OD2 3.91Å; R511-D518 PolarHBondContact NH2-OD2 3.28Å; D518-T520 WeakPolarHBondContact OD1-CG2 3.35Å; D518-T520 PolarHBondContact OD1-N 2.73Å; D518-T520 PolarHBondContact OD1-OG1 3Å; D518-T520 VanDerWaalsContact OD1-OG1 3.08Å
519	C	74	Confident	72.8	Confident	4 Å²	4	87.7 Å²	87.7	3%	0.027	42%	0.417	C	S	.	.			trans	-110.4	5.9	-179.9	-55.4	0	0	0	0	111.5	Y498 D521 R522 L523 N533 F536	Y498-C519 HydrophobicContact CE2-CB 4.19Å; C519-D521 PolarHBondContact O-N 3.41Å; C519-D521 VanDerWaalsContact O-N 3.07Å; C519-R522 PolarHBondContact O-N 3.5Å; C519-L523 HydrophobicContact CB-CD1 4.28Å; C519-L523 HydrophobicContact CB-CG 4.39Å; C519-L523 WeakPolarHBondContact O-CG 3.42Å; C519-L523 PolarHBondContact O-N 3.31Å; C519-N533 WeakPolarHBondContact CA-OD1 3.38Å; C519-N533 WeakPolarHBondContact CB-OD1 3.25Å; C519-N533 PolarHBondContact N-OD1 3.4Å; C519-F536 HydrophobicContact CB-CD2 4.14Å
520	T	71.7	Confident	74.6	Confident	33 Å²	33	89.3 Å²	89.3	20%	0.202	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-44	-173.2	46.4	0	0	0	0	112.8	D518 R522 L523 R529 N533	D518-T520 WeakPolarHBondContact OD1-CG2 3.35Å; D518-T520 PolarHBondContact OD1-N 2.73Å; D518-T520 PolarHBondContact OD1-OG1 3Å; D518-T520 VanDerWaalsContact OD1-OG1 3.08Å; T520-R522 VanDerWaalsContact C-N 3.27Å; T520-R522 PolarHBondContact O-N 2.9Å; T520-L523 PolarHBondContact O-N 3.12Å; T520-R529 PolarHBondContact O-NE 3.03Å; T520-N533 WeakPolarHBondContact CG2-ND2 3.16Å; T520-N533 PolarHBondContact N-OD1 3.36Å
521	D	76.9	Confident	76.4	Confident	143 Å²	143	83.4 Å²	83.4	77%	0.765	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.8	-168.7	-59.4	-12	0	0	0	112	C519	C519-D521 PolarHBondContact O-N 3.41Å; C519-D521 VanDerWaalsContact O-N 3.07Å
522	R	83	Confident	78.2	Confident	120 Å²	120	79.1 Å²	79.1	45%	0.453	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-18.8	178.6	-61	-110.4	-172.9	-177.8	5.9	112.5	Y498 D504 C519 T520	Y498-R522 WeakPolarHBondContact OH-CD 3.36Å; D504-R522 IonicContact OD2-CZ 3.76Å; D504-R522 IonicContact OD2-NH1 2.69Å; D504-R522 PolarHBondContact OD2-NH1 3.31Å; C519-R522 PolarHBondContact O-N 3.5Å; T520-R522 VanDerWaalsContact C-N 3.27Å; T520-R522 PolarHBondContact O-N 2.9Å
523	L	85.5	Confident	79.7	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.021	36%	0.356	C	S	.	.	S	Bend	trans	-89.4	144.7	-178.3	-64	173.1	0	0	0	111.1	I501 C519 T520 W527 R529 W532 F536	I501-L523 HydrophobicContact CD1-CD2 4.43Å; I501-L523 HydrophobicContact CG2-CD2 3.75Å; C519-L523 HydrophobicContact CB-CD1 4.28Å; C519-L523 HydrophobicContact CB-CG 4.39Å; C519-L523 WeakPolarHBondContact O-CG 3.42Å; C519-L523 PolarHBondContact O-N 3.31Å; T520-L523 PolarHBondContact O-N 3.12Å; L523-W527 HydrophobicContact CD2-CE3 4.33Å; L523-W527 HydrophobicContact CD2-CZ3 4.34Å; L523-R529 HydrophobicContact CB-CG 4.17Å; L523-R529 PolarHBondContact O-NE 2.71Å; L523-R529 PolarHBondContact O-NH2 3.08Å; L523-W532 HydrophobicContact CD1-CB 3.44Å; L523-W532 VanDerWaalsContact CD1-CB 3.44Å; L523-W532 HydrophobicContact CD1-CG 4.18Å; L523-F536 HydrophobicContact CD2-CE2 4.35Å
524	P	86.2	Confident	81	Confident	51 Å²	51	68.3 Å²	68.3	33%	0.331	34%	0.337	S	S	.	.			trans	-55.8	145.5	174.2	-26.7	36.4	0	0	0	113	S526 W527 R529	P524-S526 PolarHBondContact O-N 3.33Å; P524-W527 HydrophobicContact CB-CD2 4.2Å; P524-W527 HydrophobicContact CB-CG 3.98Å; P524-W527 HydrophobicContact CG-CD2 3.91Å; P524-W527 HydrophobicContact CG-CG 4.23Å; P524-W527 HydrophobicContact CG-CH2 4.45Å; P524-W527 HydrophobicContact CG-CZ2 3.9Å; P524-W527 PolarHBondContact O-N 3.12Å; P524-R529 PolarHBondContact O-NE 3.42Å; P524-R529 VanDerWaalsContact O-NE 3.07Å
525	F	86	Confident	82.4	Confident	185 Å²	185	65.4 Å²	65.4	81%	0.811	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-26.3	-179.9	-75.4	-86.8	0	0	0	113.2	W527 R529	F525-W527 VanDerWaalsContact C-N 3.25Å; F525-W527 PolarHBondContact O-N 3.15Å; F525-R529 VanDerWaalsContact CA-NH2 3.28Å; F525-R529 VanDerWaalsContact CE2-NH2 3.35Å; F525-R529 VanDerWaalsContact N-NH2 3.2Å
526	S	87.9	Confident	83.9	Confident	98 Å²	98	56.5 Å²	56.5	69%	0.685	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.8	-179.3	60.1	0	0	0	0	114.1	P524	P524-S526 PolarHBondContact O-N 3.33Å
527	W	92.8	Very high	85	Confident	22 Å²	22	53.3 Å²	53.3	8%	0.083	27%	0.271	C	S	.	.	S	Bend	trans	-94.3	161.9	-175.9	-69.3	15.7	0	0	0	111.8	E407 F410 I501 L523 P524 F525 R529 W532	E407-W527 HydrophobicContact CB-CD2 3.73Å; E407-W527 HydrophobicContact CB-CE3 4.28Å; E407-W527 HydrophobicContact CB-CG 3.87Å; E407-W527 HydrophobicContact CB-CZ2 4.29Å; E407-W527 HydrophobicContact CG-CB 4.33Å; E407-W527 HydrophobicContact CG-CD2 3.76Å; E407-W527 HydrophobicContact CG-CE3 3.9Å; E407-W527 HydrophobicContact CG-CG 3.96Å; E407-W527 VanDerWaalsContact OE2-CA 3.26Å; E407-W527 WeakPolarHBondContact OE2-CA 3.33Å; E407-W527 WeakPolarHBondContact OE2-CB 3.18Å; F410-W527 HydrophobicContact CB-CH2 4.46Å; F410-W527 AromaticContact CD2-CH2 3.18Å; F410-W527 HydrophobicContact CD2-CH2 3.18Å; F410-W527 AromaticContact CD2-CZ2 3.63Å; F410-W527 HydrophobicContact CD2-CZ2 3.63Å; F410-W527 HydrophobicContact CD2-CZ3 4.13Å; F410-W527 AromaticContact CE2-CH2 3.44Å; F410-W527 HydrophobicContact CE2-CH2 3.44Å; F410-W527 VanDerWaalsContact CE2-CH2 3.44Å; F410-W527 AromaticContact CE2-CZ2 3.66Å; F410-W527 HydrophobicContact CE2-CZ2 3.66Å; F410-W527 AromaticContact CG-CH2 3.93Å; F410-W527 HydrophobicContact CG-CH2 3.93Å; F410-W527 HydrophobicContact CZ-CH2 4.37Å; I501-W527 HydrophobicContact CB-CH2 4.45Å; I501-W527 HydrophobicContact CB-CZ3 4.4Å; I501-W527 HydrophobicContact CD1-CH2 4.45Å; I501-W527 HydrophobicContact CD1-CZ3 3.83Å; I501-W527 HydrophobicContact CG1-CH2 3.95Å; I501-W527 HydrophobicContact CG1-CZ3 3.82Å; I501-W527 HydrophobicContact CG2-CH2 3.76Å; I501-W527 HydrophobicContact CG2-CZ3 3.64Å; L523-W527 HydrophobicContact CD2-CE3 4.33Å; L523-W527 HydrophobicContact CD2-CZ3 4.34Å; P524-W527 HydrophobicContact CB-CD2 4.2Å; P524-W527 HydrophobicContact CB-CG 3.98Å; P524-W527 HydrophobicContact CG-CD2 3.91Å; P524-W527 HydrophobicContact CG-CG 4.23Å; P524-W527 HydrophobicContact CG-CH2 4.45Å; P524-W527 HydrophobicContact CG-CZ2 3.9Å; P524-W527 PolarHBondContact O-N 3.12Å; F525-W527 VanDerWaalsContact C-N 3.25Å; F525-W527 PolarHBondContact O-N 3.15Å; W527-R529 PolarHBondContact O-N 3.44Å; W527-W532 AromaticContact CE3-NE1 3.67Å; W527-W532 HydrophobicContact CZ3-CZ2 4.45Å
528	N	92.5	Very high	86	Confident	72 Å²	72	53.5 Å²	53.5	39%	0.385	27%	0.274	S	S	.	.			trans	-72.3	77.6	169	-170.8	-17.3	0	0	0	111.1	E407 H530 L531 W532	E407-N528 PolarHBondContact OE1-N 3.36Å; E407-N528 PolarHBondContact OE2-N 3.24Å; N528-H530 PolarHBondContact O-N 3.19Å; N528-H530 PolarHBondContact OD1-N 2.82Å; N528-L531 HydrophobicContact CB-CB 4.12Å; N528-L531 VanDerWaalsContact CG-CB 3.47Å; N528-L531 PolarHBondContact O-N 2.9Å; N528-L531 WeakPolarHBondContact OD1-CB 3.26Å; N528-L531 PolarHBondContact OD1-N 3.22Å; N528-L531 VanDerWaalsContact OD1-N 3.08Å; N528-W532 VanDerWaalsContact O-CD1 3.29Å; N528-W532 PolarHBondContact O-N 3.35Å; N528-W532 VanDerWaalsContact O-N 3.16Å
529	R	91.4	Very high	86.6	Confident	42 Å²	42	51.2 Å²	51.2	16%	0.158	26%	0.262	C	S	.	.	H	α-helix	trans	-59.2	-31.9	-177.4	-68.7	-179.4	171.5	-174.6	-8.1	113.2	T520 L523 P524 F525 W527 N533	T520-R529 PolarHBondContact O-NE 3.03Å; L523-R529 HydrophobicContact CB-CG 4.17Å; L523-R529 PolarHBondContact O-NE 2.71Å; L523-R529 PolarHBondContact O-NH2 3.08Å; P524-R529 PolarHBondContact O-NE 3.42Å; P524-R529 VanDerWaalsContact O-NE 3.07Å; F525-R529 VanDerWaalsContact CA-NH2 3.28Å; F525-R529 VanDerWaalsContact CE2-NH2 3.35Å; F525-R529 VanDerWaalsContact N-NH2 3.2Å; W527-R529 PolarHBondContact O-N 3.44Å; R529-N533 VanDerWaalsContact O-CB 3.29Å; R529-N533 WeakPolarHBondContact O-CB 3.49Å; R529-N533 VanDerWaalsContact O-CG 3.24Å; R529-N533 PolarHBondContact O-N 3.22Å; R529-N533 PolarHBondContact O-ND2 2.74Å
530	H	90.8	Very high	86.6	Confident	160 Å²	160	51.5 Å²	51.5	74%	0.741	26%	0.264	S	S	*	.	H	α-helix	trans	-65.3	-47.4	177.4	-67.7	-61.7	0	0	0	111.4	N528 N533 D534	N528-H530 PolarHBondContact O-N 3.19Å; N528-H530 PolarHBondContact OD1-N 2.82Å; H530-N533 PolarHBondContact O-N 3.48Å; H530-D534 WeakPolarHBondContact O-CB 3.39Å; H530-D534 PolarHBondContact O-N 3.18Å
531	L	94	Very high	86.4	Confident	12 Å²	12	53.4 Å²	53.4	6%	0.063	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-46.9	177.5	175.3	60.2	0	0	0	112	N528 D534 F535 F554 E557 F558 V561	N528-L531 HydrophobicContact CB-CB 4.12Å; N528-L531 VanDerWaalsContact CG-CB 3.47Å; N528-L531 PolarHBondContact O-N 2.9Å; N528-L531 WeakPolarHBondContact OD1-CB 3.26Å; N528-L531 PolarHBondContact OD1-N 3.22Å; N528-L531 VanDerWaalsContact OD1-N 3.08Å; L531-D534 PolarHBondContact O-N 2.91Å; L531-F535 PolarHBondContact O-N 3.21Å; L531-F554 HydrophobicContact CD1-CD1 4.16Å; L531-F554 HydrophobicContact CD1-CE1 4.25Å; L531-E557 HydrophobicContact CD1-CB 3.57Å; L531-E557 HydrophobicContact CD1-CG 3.91Å; L531-E557 HydrophobicContact CD2-CB 4.01Å; L531-E557 HydrophobicContact CG-CB 4.45Å; L531-F558 HydrophobicContact CD1-CE2 4.49Å; L531-F558 HydrophobicContact CD1-CZ 4.45Å; L531-F558 HydrophobicContact CD2-CD1 4.21Å; L531-F558 HydrophobicContact CD2-CE1 3.91Å; L531-F558 HydrophobicContact CD2-CZ 4.19Å; L531-F558 HydrophobicContact CG-CE1 4.13Å; L531-F558 HydrophobicContact CG-CE2 4.43Å; L531-F558 HydrophobicContact CG-CZ 3.93Å; L531-V561 HydrophobicContact CD2-CG2 3.72Å
532	W	92.8	Very high	85.9	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.9	-41.6	178.9	-78.5	104.8	0	0	0	113.1	E407 F410 L414 I497 I501 L523 W527 N528 D534 F535 F536 F558	E407-W532 HydrophobicContact CG-CZ2 4.19Å; E407-W532 VanDerWaalsContact OE1-CD1 3.31Å; E407-W532 PolarHBondContact OE1-NE1 3.29Å; F410-W532 HydrophobicContact CB-CH2 4.06Å; F410-W532 HydrophobicContact CB-CZ2 4.12Å; L414-W532 HydrophobicContact CD2-CH2 4.37Å; L414-W532 HydrophobicContact CD2-CZ3 4.16Å; I497-W532 HydrophobicContact CG2-CE3 4.46Å; I497-W532 HydrophobicContact CG2-CH2 3.82Å; I497-W532 HydrophobicContact CG2-CZ3 3.41Å; I497-W532 VanDerWaalsContact CG2-CZ3 3.41Å; I501-W532 HydrophobicContact CD1-CD2 4.41Å; I501-W532 HydrophobicContact CD1-CE3 4.04Å; I501-W532 HydrophobicContact CD1-CH2 3.99Å; I501-W532 HydrophobicContact CD1-CZ2 4.35Å; I501-W532 HydrophobicContact CD1-CZ3 3.84Å; L523-W532 HydrophobicContact CD1-CB 3.44Å; L523-W532 VanDerWaalsContact CD1-CB 3.44Å; L523-W532 HydrophobicContact CD1-CG 4.18Å; W527-W532 AromaticContact CE3-NE1 3.67Å; W527-W532 HydrophobicContact CZ3-CZ2 4.45Å; N528-W532 VanDerWaalsContact O-CD1 3.29Å; N528-W532 PolarHBondContact O-N 3.35Å; N528-W532 VanDerWaalsContact O-N 3.16Å; W532-D534 VanDerWaalsContact C-N 3.34Å; W532-F535 HydrophobicContact CE3-CD1 4.24Å; W532-F535 HydrophobicContact CZ3-CD1 4.33Å; W532-F535 WeakPolarHBondContact O-CB 2.89Å; W532-F535 PolarHBondContact O-N 3.31Å; W532-F536 HydrophobicContact CB-CD2 4.39Å; W532-F536 HydrophobicContact CB-CE2 4.18Å; W532-F536 HydrophobicContact CD2-CE2 4.36Å; W532-F536 AromaticContact CE3-CE2 3.64Å; W532-F536 HydrophobicContact CE3-CE2 3.64Å; W532-F536 AromaticContact CE3-CZ 3.73Å; W532-F536 HydrophobicContact CE3-CZ 3.73Å; W532-F536 HydrophobicContact CZ3-CE2 4.45Å; W532-F536 HydrophobicContact CZ3-CZ 4.09Å; W532-F536 WeakPolarHBondContact O-CD2 2.98Å; W532-F536 PolarHBondContact O-N 3.16Å; W532-F558 AromaticContact CD2-CE1 3.93Å; W532-F558 HydrophobicContact CD2-CE1 3.93Å; W532-F558 HydrophobicContact CD2-CZ 4Å; W532-F558 AromaticContact CE2-CE1 3.59Å; W532-F558 HydrophobicContact CE3-CE1 4.07Å; W532-F558 AromaticContact CE3-CZ 3.82Å; W532-F558 HydrophobicContact CE3-CZ 3.82Å; W532-F558 HydrophobicContact CH2-CD1 4.37Å; W532-F558 AromaticContact CH2-CE1 3.65Å; W532-F558 HydrophobicContact CH2-CE1 3.65Å; W532-F558 HydrophobicContact CH2-CZ 4.05Å; W532-F558 HydrophobicContact CZ2-CD1 4.23Å; W532-F558 AromaticContact CZ2-CE1 3.49Å; W532-F558 HydrophobicContact CZ2-CE1 3.49Å; W532-F558 VanDerWaalsContact CZ2-CE1 3.49Å; W532-F558 HydrophobicContact CZ2-CZ 4.23Å; W532-F558 AromaticContact CZ3-CE1 3.91Å; W532-F558 HydrophobicContact CZ3-CE1 3.91Å; W532-F558 AromaticContact CZ3-CZ 3.82Å; W532-F558 HydrophobicContact CZ3-CZ 3.82Å
533	N	88.7	Confident	85.1	Confident	18 Å²	18	52.2 Å²	52.2	10%	0.096	27%	0.267	C	S	.	.	H	α-helix	trans	-66	-37.9	176.2	-76.9	-36.8	0	0	0	112.4	C519 T520 R529 H530 F535 F536 S537	C519-N533 WeakPolarHBondContact CA-OD1 3.38Å; C519-N533 WeakPolarHBondContact CB-OD1 3.25Å; C519-N533 PolarHBondContact N-OD1 3.4Å; T520-N533 WeakPolarHBondContact CG2-ND2 3.16Å; T520-N533 PolarHBondContact N-OD1 3.36Å; R529-N533 VanDerWaalsContact O-CB 3.29Å; R529-N533 WeakPolarHBondContact O-CB 3.49Å; R529-N533 VanDerWaalsContact O-CG 3.24Å; R529-N533 PolarHBondContact O-N 3.22Å; R529-N533 PolarHBondContact O-ND2 2.74Å; H530-N533 PolarHBondContact O-N 3.48Å; N533-F535 VanDerWaalsContact C-N 3.33Å; N533-F536 PolarHBondContact O-N 2.81Å; N533-S537 WeakPolarHBondContact O-CB 3.37Å; N533-S537 PolarHBondContact O-N 2.93Å; N533-S537 PolarHBondContact O-OG 3.19Å
534	D	89.8	Confident	83.8	Confident	62 Å²	62	59.9 Å²	59.9	33%	0.332	30%	0.3	S	S	.	.	H	α-helix	trans	-61	-44.6	173.3	-171.9	26.8	0	0	0	110.6	H530 L531 W532 S537 S538 K553 F554	H530-D534 WeakPolarHBondContact O-CB 3.39Å; H530-D534 PolarHBondContact O-N 3.18Å; L531-D534 PolarHBondContact O-N 2.91Å; W532-D534 VanDerWaalsContact C-N 3.34Å; D534-S537 PolarHBondContact O-N 3.02Å; D534-S538 VanDerWaalsContact O-CB 3.26Å; D534-S538 WeakPolarHBondContact O-CB 3.43Å; D534-S538 PolarHBondContact O-N 2.74Å; D534-S538 PolarHBondContact O-OG 3.26Å; D534-K553 IonicContact OD1-NZ 2.6Å; D534-K553 WeakPolarHBondContact OD2-CE 3.26Å; D534-K553 IonicContact OD2-NZ 3.12Å; D534-K553 PolarHBondContact OD2-NZ 3.21Å; D534-F554 HydrophobicContact CB-CE1 4.3Å; D534-F554 HydrophobicContact CB-CZ 4.41Å
535	F	91.8	Very high	82.4	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58	-55.3	173.9	172.6	-97.6	0	0	0	112.8	L414 M493 A494 I497 L531 W532 N533 S537 S538 F539 F554 F558	L414-F535 HydrophobicContact CD1-CE1 4.35Å; L414-F535 HydrophobicContact CD1-CE2 3.53Å; L414-F535 HydrophobicContact CD1-CZ 3.4Å; L414-F535 VanDerWaalsContact CD1-CZ 3.4Å; L414-F535 HydrophobicContact CD2-CD2 3.95Å; L414-F535 HydrophobicContact CD2-CE1 4.26Å; L414-F535 HydrophobicContact CD2-CE2 3.65Å; L414-F535 HydrophobicContact CD2-CG 4.39Å; L414-F535 HydrophobicContact CD2-CZ 3.84Å; L414-F535 HydrophobicContact CG-CE2 4.24Å; L414-F535 HydrophobicContact CG-CZ 4.3Å; M493-F535 HydrophobicContact CE-CE2 4.06Å; M493-F535 HydrophobicContact CE-CZ 4.19Å; M493-F535 HydrophobicContact CG-CZ 4.49Å; A494-F535 HydrophobicContact CB-CE1 4.3Å; A494-F535 HydrophobicContact CB-CZ 4.43Å; I497-F535 HydrophobicContact CB-CE1 4.48Å; L531-F535 PolarHBondContact O-N 3.21Å; W532-F535 HydrophobicContact CE3-CD1 4.24Å; W532-F535 HydrophobicContact CZ3-CD1 4.33Å; W532-F535 WeakPolarHBondContact O-CB 2.89Å; W532-F535 PolarHBondContact O-N 3.31Å; N533-F535 VanDerWaalsContact C-N 3.33Å; F535-S537 PolarHBondContact O-N 3.42Å; F535-S538 PolarHBondContact O-N 3.07Å; F535-F539 AromaticContact CD2-CD2 3.83Å; F535-F539 HydrophobicContact CD2-CD2 3.83Å; F535-F539 AromaticContact CD2-CE2 3.54Å; F535-F539 HydrophobicContact CD2-CE2 3.54Å; F535-F539 AromaticContact CE2-CD2 3.55Å; F535-F539 HydrophobicContact CE2-CD2 3.55Å; F535-F539 AromaticContact CE2-CE2 3.3Å; F535-F539 HydrophobicContact CE2-CE2 3.3Å; F535-F539 HydrophobicContact CE2-CZ 4.41Å; F535-F539 HydrophobicContact CZ-CD2 4.12Å; F535-F539 HydrophobicContact CZ-CE2 4.25Å; F535-F554 HydrophobicContact CB-CD1 4Å; F535-F554 HydrophobicContact CB-CE1 3.77Å; F535-F554 HydrophobicContact CB-CZ 4.1Å; F535-F554 HydrophobicContact CD2-CB 4.24Å; F535-F554 HydrophobicContact CD2-CD1 4.13Å; F535-F554 AromaticContact CD2-CD2 3.92Å; F535-F554 HydrophobicContact CD2-CD2 3.92Å; F535-F554 HydrophobicContact CD2-CE2 4.34Å; F535-F554 AromaticContact CD2-CG 3.83Å; F535-F554 HydrophobicContact CD2-CG 3.83Å; F535-F558 HydrophobicContact CB-CE2 4.12Å; F535-F558 HydrophobicContact CB-CZ 4.19Å; F535-F558 AromaticContact CD2-CE2 3.98Å; F535-F558 HydrophobicContact CD2-CE2 3.98Å; F535-F558 HydrophobicContact CG-CE2 4.1Å; F535-F558 HydrophobicContact CG-CZ 4.35Å
536	F	89.6	Confident	82.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.4	-24.5	-177.7	-67.7	-55.4	0	0	0	113.3	A494 I497 Y498 I501 I517 C519 L523 W532 N533 P540	A494-F536 WeakPolarHBondContact O-CE1 3.46Å; I497-F536 HydrophobicContact CB-CE1 4.48Å; I497-F536 HydrophobicContact CG2-CE1 4.34Å; I497-F536 HydrophobicContact CG2-CZ 4.14Å; Y498-F536 HydrophobicContact CD2-CE1 4.31Å; Y498-F536 HydrophobicContact CD2-CE2 4.42Å; Y498-F536 HydrophobicContact CD2-CZ 4.26Å; I501-F536 HydrophobicContact CD1-CE2 4.39Å; I501-F536 HydrophobicContact CD1-CZ 3.93Å; I517-F536 WeakPolarHBondContact CD1-O 3.43Å; C519-F536 HydrophobicContact CB-CD2 4.14Å; L523-F536 HydrophobicContact CD2-CE2 4.35Å; W532-F536 HydrophobicContact CB-CD2 4.39Å; W532-F536 HydrophobicContact CB-CE2 4.18Å; W532-F536 HydrophobicContact CD2-CE2 4.36Å; W532-F536 AromaticContact CE3-CE2 3.64Å; W532-F536 HydrophobicContact CE3-CE2 3.64Å; W532-F536 AromaticContact CE3-CZ 3.73Å; W532-F536 HydrophobicContact CE3-CZ 3.73Å; W532-F536 HydrophobicContact CZ3-CE2 4.45Å; W532-F536 HydrophobicContact CZ3-CZ 4.09Å; W532-F536 WeakPolarHBondContact O-CD2 2.98Å; W532-F536 PolarHBondContact O-N 3.16Å; N533-F536 PolarHBondContact O-N 2.81Å; F536-P540 WeakPolarHBondContact O-CD 3.04Å; F536-P540 VanDerWaalsContact O-CG 3.25Å; F536-P540 WeakPolarHBondContact O-CG 3.38Å
537	S	84.9	Confident	82	Confident	30 Å²	30	55.2 Å²	55.2	21%	0.21	27%	0.274	C	S	.	.	H	α-helix	trans	-81.1	-28	175.5	-62.3	0	0	0	0	113.2	I517 N533 D534 F535	I517-S537 PolarHBondContact O-OG 3.22Å; N533-S537 WeakPolarHBondContact O-CB 3.37Å; N533-S537 PolarHBondContact O-N 2.93Å; N533-S537 PolarHBondContact O-OG 3.19Å; D534-S537 PolarHBondContact O-N 3.02Å; F535-S537 PolarHBondContact O-N 3.42Å
538	S	87	Confident	81.6	Confident	19 Å²	19	57.6 Å²	57.6	13%	0.133	29%	0.291	C	S	.	.	H	α-helix	trans	-78.4	-42.7	-170.4	-69.1	0	0	0	0	114	D534 F535	D534-S538 VanDerWaalsContact O-CB 3.26Å; D534-S538 WeakPolarHBondContact O-CB 3.43Å; D534-S538 PolarHBondContact O-N 2.74Å; D534-S538 PolarHBondContact O-OG 3.26Å; F535-S538 PolarHBondContact O-N 3.07Å
539	F	82.2	Confident	81.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-82.1	-28.9	-172.7	-73.4	-70.4	0	0	0	116.7	M493 A494 F535 S541 P542 V547 L550 M551 F554	M493-F539 HydrophobicContact CE-CD1 4.28Å; M493-F539 HydrophobicContact CE-CD2 4.07Å; M493-F539 HydrophobicContact CE-CE1 3.99Å; M493-F539 HydrophobicContact CE-CE2 3.79Å; M493-F539 HydrophobicContact CE-CG 4.29Å; M493-F539 HydrophobicContact CE-CZ 3.73Å; A494-F539 HydrophobicContact CB-CB 4.27Å; F535-F539 AromaticContact CD2-CD2 3.83Å; F535-F539 HydrophobicContact CD2-CD2 3.83Å; F535-F539 AromaticContact CD2-CE2 3.54Å; F535-F539 HydrophobicContact CD2-CE2 3.54Å; F535-F539 AromaticContact CE2-CD2 3.55Å; F535-F539 HydrophobicContact CE2-CD2 3.55Å; F535-F539 AromaticContact CE2-CE2 3.3Å; F535-F539 HydrophobicContact CE2-CE2 3.3Å; F535-F539 HydrophobicContact CE2-CZ 4.41Å; F535-F539 HydrophobicContact CZ-CD2 4.12Å; F535-F539 HydrophobicContact CZ-CE2 4.25Å; F539-S541 PolarHBondContact O-N 3.32Å; F539-P542 WeakPolarHBondContact O-CD 3.2Å; F539-V547 HydrophobicContact CE1-CG1 4.34Å; F539-L550 HydrophobicContact CE1-CB 4.02Å; F539-L550 HydrophobicContact CZ-CB 3.97Å; F539-M551 HydrophobicContact CE1-CG 3.98Å; F539-M551 HydrophobicContact CZ-CG 4.04Å; F539-F554 HydrophobicContact CD2-CD2 4.47Å; F539-F554 AromaticContact CE2-CD2 3.47Å; F539-F554 HydrophobicContact CE2-CD2 3.47Å; F539-F554 VanDerWaalsContact CE2-CD2 3.47Å; F539-F554 AromaticContact CE2-CE2 3.87Å; F539-F554 HydrophobicContact CE2-CE2 3.87Å; F539-F554 HydrophobicContact CE2-CG 4.42Å; F539-F554 AromaticContact CZ-CD2 3.9Å; F539-F554 HydrophobicContact CZ-CD2 3.9Å; F539-F554 HydrophobicContact CZ-CE2 4.45Å
540	P	72.2	Confident	81.5	Confident	11 Å²	11	59.7 Å²	59.7	7%	0.071	30%	0.295	C	S	.	.	S	Bend	trans	-74.8	-10.4	177.6	-26	39.9	0	0	0	114.8	L508 I517 F536	L508-P540 HydrophobicContact CD2-CB 3.79Å; L508-P540 HydrophobicContact CD2-CG 4.07Å; I517-P540 HydrophobicContact CD1-CB 3.55Å; I517-P540 HydrophobicContact CD1-CG 3.49Å; I517-P540 VanDerWaalsContact CD1-CG 3.49Å; F536-P540 WeakPolarHBondContact O-CD 3.04Å; F536-P540 VanDerWaalsContact O-CG 3.25Å; F536-P540 WeakPolarHBondContact O-CG 3.38Å
541	S	68	Low	81.6	Confident	73 Å²	73	52.1 Å²	52.1	51%	0.51	26%	0.26	S	S	.	.	S	Bend	trans	-149.2	62.4	176.9	-68.6	0	0	0	0	110.6	F539 R543	F539-S541 PolarHBondContact O-N 3.32Å; S541-R543 PolarHBondContact O-N 3.29Å
542	P	66.6	Low	81.5	Confident	29 Å²	29	54.8 Å²	54.8	19%	0.188	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-67.2	136.8	-178.5	29.1	-29	0	0	0	108.3	W487 F539 K544 V547 L550	W487-P542 HydrophobicContact CB-CG 3.8Å; W487-P542 HydrophobicContact CD2-CG 4.39Å; W487-P542 HydrophobicContact CG-CG 4Å; F539-P542 WeakPolarHBondContact O-CD 3.2Å; P542-K544 PolarHBondContact O-N 2.99Å; P542-V547 HydrophobicContact CB-CG2 3.81Å; P542-V547 HydrophobicContact CG-CG2 4.04Å; P542-L550 HydrophobicContact CB-CD1 4.47Å
543	R	66.6	Low	81.5	Confident	208 Å²	208	58 Å²	58	79%	0.785	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-61.7	139.9	165	-65.8	-179.2	179	-175	1.1	107.2	S541 N545 D546	S541-R543 PolarHBondContact O-N 3.29Å; R543-N545 PolarHBondContact O-N 3.4Å; R543-N545 VanDerWaalsContact O-N 3.16Å; R543-D546 HydrophobicContact CB-CB 4.35Å; R543-D546 VanDerWaalsContact O-CB 3.28Å; R543-D546 WeakPolarHBondContact O-CB 2.95Å; R543-D546 PolarHBondContact O-N 2.65Å
544	K	57.4	Low	81.8	Confident	166 Å²	166	57.1 Å²	57.1	72%	0.722	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	127.1	178.5	-83.6	-170.7	170.5	-167.8	0	108.6	E483 P542	E483-K544 IonicContact OE2-NZ 3.69Å; E483-K544 PolarHBondContact OE2-NZ 3.31Å; P542-K544 PolarHBondContact O-N 2.99Å
545	N	58.2	Low	82.1	Confident	171 Å²	171	54.9 Å²	54.9	91%	0.914	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	11.8	-178.1	-50.8	-27.3	0	0	0	118.2	R543	R543-N545 PolarHBondContact O-N 3.4Å; R543-N545 VanDerWaalsContact O-N 3.16Å
546	D	79.7	Confident	82.2	Confident	48 Å²	48	56.7 Å²	56.7	26%	0.257	28%	0.284	S	S	.	.			trans	-96.6	-14.3	-176.1	-151.8	-2.7	0	0	0	114.6	R543 T548 Y549 L550	R543-D546 HydrophobicContact CB-CB 4.35Å; R543-D546 VanDerWaalsContact O-CB 3.28Å; R543-D546 WeakPolarHBondContact O-CB 2.95Å; R543-D546 PolarHBondContact O-N 2.65Å; D546-T548 PolarHBondContact O-N 2.85Å; D546-Y549 PolarHBondContact O-N 3.24Å; D546-Y549 VanDerWaalsContact O-N 3.15Å; D546-Y549 VanDerWaalsContact OD1-CD1 3.24Å; D546-Y549 WeakPolarHBondContact OD1-CD1 3.16Å; D546-L550 HydrophobicContact CB-CD1 4.18Å; D546-L550 HydrophobicContact CB-CG 4.41Å; D546-L550 WeakPolarHBondContact O-CG 3.5Å; D546-L550 PolarHBondContact O-N 3.46Å
547	V	84.3	Confident	82.6	Confident	17 Å²	17	60.7 Å²	60.7	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-59	-45.3	-167.3	-179.4	0	0	0	0	112.9	W487 S490 F539 P542 Y549 L550 M551	W487-V547 HydrophobicContact CB-CG2 4.33Å; S490-V547 WeakPolarHBondContact OG-CG1 3.31Å; F539-V547 HydrophobicContact CE1-CG1 4.34Å; P542-V547 HydrophobicContact CB-CG2 3.81Å; P542-V547 HydrophobicContact CG-CG2 4.04Å; V547-Y549 PolarHBondContact O-N 3.27Å; V547-L550 PolarHBondContact O-N 3.3Å; V547-M551 HydrophobicContact CG1-CG 4.41Å; V547-M551 HydrophobicContact CG1-SD 4.1Å; V547-M551 VanDerWaalsContact O-CG 3.27Å; V547-M551 WeakPolarHBondContact O-CG 3.15Å; V547-M551 PolarHBondContact O-N 3.28Å
548	T	86	Confident	83.2	Confident	71 Å²	71	59.3 Å²	59.3	44%	0.436	29%	0.293	S	S	.	.	H	α-helix	trans	-64.2	-42	179.8	-56.7	0	0	0	0	111.9	Q425 D546 M551 D552	Q425-T548 PolarHBondContact NE2-OG1 3.5Å; D546-T548 PolarHBondContact O-N 2.85Å; T548-M551 PolarHBondContact O-N 3.46Å; T548-D552 PolarHBondContact O-N 3.5Å
549	Y	89.8	Confident	83.6	Confident	149 Å²	149	58.4 Å²	58.4	58%	0.584	29%	0.286	S	S	*	.	H	α-helix	trans	-62.7	-44.7	175.8	170.7	-96.9	0	0	0	111.4	D546 V547 M551 D552 K553	D546-Y549 PolarHBondContact O-N 3.24Å; D546-Y549 VanDerWaalsContact O-N 3.15Å; D546-Y549 VanDerWaalsContact OD1-CD1 3.24Å; D546-Y549 WeakPolarHBondContact OD1-CD1 3.16Å; V547-Y549 PolarHBondContact O-N 3.27Å; Y549-M551 VanDerWaalsContact C-N 3.31Å; Y549-M551 PolarHBondContact O-N 3.44Å; Y549-D552 PolarHBondContact O-N 3.19Å; Y549-K553 HydrophobicContact CE1-CD 4.49Å; Y549-K553 WeakPolarHBondContact O-CB 3.49Å; Y549-K553 PolarHBondContact O-N 3.41Å
550	L	91.5	Very high	84.3	Confident	9 Å²	9	61.6 Å²	61.6	5%	0.047	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-42.2	175.7	-67.4	172.1	0	0	0	111.5	F539 P542 D546 V547 K553 F554	F539-L550 HydrophobicContact CE1-CB 4.02Å; F539-L550 HydrophobicContact CZ-CB 3.97Å; P542-L550 HydrophobicContact CB-CD1 4.47Å; D546-L550 HydrophobicContact CB-CD1 4.18Å; D546-L550 HydrophobicContact CB-CG 4.41Å; D546-L550 WeakPolarHBondContact O-CG 3.5Å; D546-L550 PolarHBondContact O-N 3.46Å; V547-L550 PolarHBondContact O-N 3.3Å; L550-K553 PolarHBondContact O-N 3.36Å; L550-F554 HydrophobicContact CB-CD2 4.37Å; L550-F554 HydrophobicContact CB-CE2 4.33Å; L550-F554 HydrophobicContact CD2-CE2 4.16Å; L550-F554 WeakPolarHBondContact O-CD2 3.41Å; L550-F554 PolarHBondContact O-N 3.15Å
551	M	91.7	Very high	85.5	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-46.6	176.2	-70.7	178.4	76.3	0	0	111.9	L418 V421 R422 F539 V547 T548 Y549 K553 F554 E555	L418-M551 HydrophobicContact CD2-CB 4.17Å; L418-M551 HydrophobicContact CD2-CE 3.92Å; L418-M551 HydrophobicContact CD2-CG 3.91Å; L418-M551 VanDerWaalsContact O-CE 3.24Å; L418-M551 WeakPolarHBondContact O-CE 3.38Å; V421-M551 HydrophobicContact CB-CE 4Å; V421-M551 HydrophobicContact CG1-CE 3.85Å; V421-M551 HydrophobicContact CG1-SD 4.22Å; R422-M551 HydrophobicContact CB-CE 3.69Å; F539-M551 HydrophobicContact CE1-CG 3.98Å; F539-M551 HydrophobicContact CZ-CG 4.04Å; V547-M551 HydrophobicContact CG1-CG 4.41Å; V547-M551 HydrophobicContact CG1-SD 4.1Å; V547-M551 VanDerWaalsContact O-CG 3.27Å; V547-M551 WeakPolarHBondContact O-CG 3.15Å; V547-M551 PolarHBondContact O-N 3.28Å; T548-M551 PolarHBondContact O-N 3.46Å; Y549-M551 VanDerWaalsContact C-N 3.31Å; Y549-M551 PolarHBondContact O-N 3.44Å; M551-K553 PolarHBondContact O-N 3.35Å; M551-F554 PolarHBondContact O-N 3.23Å; M551-E555 WeakPolarHBondContact O-CB 3.39Å; M551-E555 PolarHBondContact O-N 3.33Å
552	D	92.3	Very high	86.8	Confident	68 Å²	68	58.3 Å²	58.3	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-42	177.9	-71.3	-27.8	0	0	0	112.2	R422 R461 T548 Y549 S556	R422-D552 IonicContact CZ-OD1 3.9Å; R422-D552 IonicContact NH1-OD1 2.65Å; R422-D552 PolarHBondContact NH1-OD1 3.29Å; R422-D552 IonicContact NH2-OD1 3.4Å; R422-D552 PolarHBondContact NH2-OD1 3.12Å; R461-D552 PolarHBondContact NH2-O 2.86Å; T548-D552 PolarHBondContact O-N 3.5Å; Y549-D552 PolarHBondContact O-N 3.19Å; D552-S556 PolarHBondContact O-N 3.45Å; D552-S556 VanDerWaalsContact O-N 3.13Å
553	K	94.1	Very high	88.2	Confident	66 Å²	66	60.8 Å²	60.8	29%	0.287	29%	0.286	S	S	.	.	H	α-helix	trans	-58.3	-58.1	175.3	176	-172.7	169.3	-168.8	0	110.8	D534 Y549 L550 M551 E555 S556 E557	D534-K553 IonicContact OD1-NZ 2.6Å; D534-K553 WeakPolarHBondContact OD2-CE 3.26Å; D534-K553 IonicContact OD2-NZ 3.12Å; D534-K553 PolarHBondContact OD2-NZ 3.21Å; Y549-K553 HydrophobicContact CE1-CD 4.49Å; Y549-K553 WeakPolarHBondContact O-CB 3.49Å; Y549-K553 PolarHBondContact O-N 3.41Å; L550-K553 PolarHBondContact O-N 3.36Å; M551-K553 PolarHBondContact O-N 3.35Å; K553-E555 PolarHBondContact O-N 3.39Å; K553-S556 VanDerWaalsContact O-CB 3.28Å; K553-S556 WeakPolarHBondContact O-CB 3.29Å; K553-S556 PolarHBondContact O-N 3.13Å; K553-S556 VanDerWaalsContact O-N 3.12Å; K553-E557 PolarHBondContact O-N 3.42Å; K553-E557 VanDerWaalsContact O-N 3.12Å
554	F	95.1	Very high	89.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-68.5	-34.6	-175.8	-71.2	-58.6	0	0	0	112.3	L531 D534 F535 F539 L550 M551 S556 E557 F558	L531-F554 HydrophobicContact CD1-CD1 4.16Å; L531-F554 HydrophobicContact CD1-CE1 4.25Å; D534-F554 HydrophobicContact CB-CE1 4.3Å; D534-F554 HydrophobicContact CB-CZ 4.41Å; F535-F554 HydrophobicContact CB-CD1 4Å; F535-F554 HydrophobicContact CB-CE1 3.77Å; F535-F554 HydrophobicContact CB-CZ 4.1Å; F535-F554 HydrophobicContact CD2-CB 4.24Å; F535-F554 HydrophobicContact CD2-CD1 4.13Å; F535-F554 AromaticContact CD2-CD2 3.92Å; F535-F554 HydrophobicContact CD2-CD2 3.92Å; F535-F554 HydrophobicContact CD2-CE2 4.34Å; F535-F554 AromaticContact CD2-CG 3.83Å; F535-F554 HydrophobicContact CD2-CG 3.83Å; F539-F554 HydrophobicContact CD2-CD2 4.47Å; F539-F554 AromaticContact CE2-CD2 3.47Å; F539-F554 HydrophobicContact CE2-CD2 3.47Å; F539-F554 VanDerWaalsContact CE2-CD2 3.47Å; F539-F554 AromaticContact CE2-CE2 3.87Å; F539-F554 HydrophobicContact CE2-CE2 3.87Å; F539-F554 HydrophobicContact CE2-CG 4.42Å; F539-F554 AromaticContact CZ-CD2 3.9Å; F539-F554 HydrophobicContact CZ-CD2 3.9Å; F539-F554 HydrophobicContact CZ-CE2 4.45Å; L550-F554 HydrophobicContact CB-CD2 4.37Å; L550-F554 HydrophobicContact CB-CE2 4.33Å; L550-F554 HydrophobicContact CD2-CE2 4.16Å; L550-F554 WeakPolarHBondContact O-CD2 3.41Å; L550-F554 PolarHBondContact O-N 3.15Å; M551-F554 PolarHBondContact O-N 3.23Å; F554-S556 PolarHBondContact O-N 2.75Å; F554-E557 PolarHBondContact O-N 2.93Å; F554-F558 HydrophobicContact CB-CD2 4.03Å; F554-F558 HydrophobicContact CB-CE2 4.13Å; F554-F558 AromaticContact CD1-CE2 3.95Å; F554-F558 HydrophobicContact CD1-CE2 3.95Å; F554-F558 HydrophobicContact CG-CE2 4.36Å; F554-F558 WeakPolarHBondContact O-CB 3.38Å; F554-F558 WeakPolarHBondContact O-CD2 3.21Å; F554-F558 PolarHBondContact O-N 2.91Å
555	E	95	Very high	91.2	Very high	15 Å²	15	52.7 Å²	52.7	7%	0.07	26%	0.262	C	S	.	.	H	α-helix	trans	-57.2	-41.2	171.7	-173.3	175.1	-173.3	0	0	111.2	L415 L418 R422 R461 M551 K553 C559	L415-E555 HydrophobicContact CD2-CB 4.46Å; L415-E555 HydrophobicContact CD2-CG 3.95Å; L418-E555 HydrophobicContact CD1-CB 4.37Å; R422-E555 IonicContact CZ-OE2 3.75Å; R422-E555 IonicContact NE-OE2 2.73Å; R422-E555 IonicContact NH2-OE2 3.59Å; R422-E555 PolarHBondContact NH2-OE2 3.46Å; R461-E555 HydrophobicContact CG-CG 3.98Å; M551-E555 WeakPolarHBondContact O-CB 3.39Å; M551-E555 PolarHBondContact O-N 3.33Å; K553-E555 PolarHBondContact O-N 3.39Å; E555-C559 VanDerWaalsContact O-CB 3.25Å; E555-C559 WeakPolarHBondContact O-CB 3.29Å; E555-C559 PolarHBondContact O-N 2.98Å; E555-C559 PolarHBondContact O-SG 3.21Å
556	S	95.1	Very high	92.9	Very high	39 Å²	39	48.9 Å²	48.9	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-51.4	176	-146.1	0	0	0	0	112.9	R461 D552 K553 F554 C559 N560	R461-S556 VanDerWaalsContact NH2-N 3.15Å; R461-S556 PolarHBondContact NH2-OG 2.96Å; D552-S556 PolarHBondContact O-N 3.45Å; D552-S556 VanDerWaalsContact O-N 3.13Å; K553-S556 VanDerWaalsContact O-CB 3.28Å; K553-S556 WeakPolarHBondContact O-CB 3.29Å; K553-S556 PolarHBondContact O-N 3.13Å; K553-S556 VanDerWaalsContact O-N 3.12Å; F554-S556 PolarHBondContact O-N 2.75Å; S556-C559 WeakPolarHBondContact O-CB 3.43Å; S556-C559 PolarHBondContact O-N 3.3Å; S556-N560 PolarHBondContact O-N 3.45Å; S556-N560 PolarHBondContact O-ND2 3.35Å
557	E	96.6	Very high	93.5	Very high	84 Å²	84	52 Å²	52	39%	0.393	25%	0.251	S	S	.	.	H	α-helix	trans	-64.3	-45.5	-175.8	-67.9	-64.5	147.4	0	0	110.9	L531 K553 F554 C559 N560 V561	L531-E557 HydrophobicContact CD1-CB 3.57Å; L531-E557 HydrophobicContact CD1-CG 3.91Å; L531-E557 HydrophobicContact CD2-CB 4.01Å; L531-E557 HydrophobicContact CG-CB 4.45Å; K553-E557 PolarHBondContact O-N 3.42Å; K553-E557 VanDerWaalsContact O-N 3.12Å; F554-E557 PolarHBondContact O-N 2.93Å; E557-C559 PolarHBondContact O-N 3.25Å; E557-N560 WeakPolarHBondContact O-CB 3.49Å; E557-N560 PolarHBondContact O-N 3.3Å; E557-N560 VanDerWaalsContact O-N 3.12Å; E557-V561 PolarHBondContact O-N 3.02Å; E557-V561 VanDerWaalsContact O-N 3.13Å
558	F	97	Very high	93.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-73.5	-27.1	-179.9	-73.1	-67.2	0	0	0	113.2	A411 L414 L415 L531 W532 F535 F554 N560 V561 V562	A411-F558 HydrophobicContact CB-CB 4.26Å; A411-F558 HydrophobicContact CB-CD1 3.68Å; A411-F558 HydrophobicContact CB-CG 4.39Å; L414-F558 HydrophobicContact CD2-CD1 4.25Å; L414-F558 HydrophobicContact CD2-CD2 3.29Å; L414-F558 HydrophobicContact CD2-CE1 4.19Å; L414-F558 HydrophobicContact CD2-CE2 3.23Å; L414-F558 HydrophobicContact CD2-CG 3.83Å; L414-F558 HydrophobicContact CD2-CZ 3.71Å; L414-F558 HydrophobicContact CG-CD2 4.32Å; L415-F558 HydrophobicContact CD2-CB 4.06Å; L415-F558 HydrophobicContact CG-CB 4.35Å; L531-F558 HydrophobicContact CD1-CE2 4.49Å; L531-F558 HydrophobicContact CD1-CZ 4.45Å; L531-F558 HydrophobicContact CD2-CD1 4.21Å; L531-F558 HydrophobicContact CD2-CE1 3.91Å; L531-F558 HydrophobicContact CD2-CZ 4.19Å; L531-F558 HydrophobicContact CG-CE1 4.13Å; L531-F558 HydrophobicContact CG-CE2 4.43Å; L531-F558 HydrophobicContact CG-CZ 3.93Å; W532-F558 AromaticContact CD2-CE1 3.93Å; W532-F558 HydrophobicContact CD2-CE1 3.93Å; W532-F558 HydrophobicContact CD2-CZ 4Å; W532-F558 AromaticContact CE2-CE1 3.59Å; W532-F558 HydrophobicContact CE3-CE1 4.07Å; W532-F558 AromaticContact CE3-CZ 3.82Å; W532-F558 HydrophobicContact CE3-CZ 3.82Å; W532-F558 HydrophobicContact CH2-CD1 4.37Å; W532-F558 AromaticContact CH2-CE1 3.65Å; W532-F558 HydrophobicContact CH2-CE1 3.65Å; W532-F558 HydrophobicContact CH2-CZ 4.05Å; W532-F558 HydrophobicContact CZ2-CD1 4.23Å; W532-F558 AromaticContact CZ2-CE1 3.49Å; W532-F558 HydrophobicContact CZ2-CE1 3.49Å; W532-F558 VanDerWaalsContact CZ2-CE1 3.49Å; W532-F558 HydrophobicContact CZ2-CZ 4.23Å; W532-F558 AromaticContact CZ3-CE1 3.91Å; W532-F558 HydrophobicContact CZ3-CE1 3.91Å; W532-F558 AromaticContact CZ3-CZ 3.82Å; W532-F558 HydrophobicContact CZ3-CZ 3.82Å; F535-F558 HydrophobicContact CB-CE2 4.12Å; F535-F558 HydrophobicContact CB-CZ 4.19Å; F535-F558 AromaticContact CD2-CE2 3.98Å; F535-F558 HydrophobicContact CD2-CE2 3.98Å; F535-F558 HydrophobicContact CG-CE2 4.1Å; F535-F558 HydrophobicContact CG-CZ 4.35Å; F554-F558 HydrophobicContact CB-CD2 4.03Å; F554-F558 HydrophobicContact CB-CE2 4.13Å; F554-F558 AromaticContact CD1-CE2 3.95Å; F554-F558 HydrophobicContact CD1-CE2 3.95Å; F554-F558 HydrophobicContact CG-CE2 4.36Å; F554-F558 WeakPolarHBondContact O-CB 3.38Å; F554-F558 WeakPolarHBondContact O-CD2 3.21Å; F554-F558 PolarHBondContact O-N 2.91Å; F558-N560 VanDerWaalsContact C-N 3.26Å; F558-N560 PolarHBondContact O-N 3.33Å; F558-V561 HydrophobicContact CD1-CB 4.44Å; F558-V561 HydrophobicContact CD1-CG2 4.23Å; F558-V561 PolarHBondContact O-N 3.47Å; F558-V562 WeakPolarHBondContact O-CG2 3.5Å; F558-V562 PolarHBondContact O-N 3.25Å
559	C	96.8	Very high	94.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-39	166.5	-82.7	0	0	0	0	112.1	S457 R461 E555 S556 E557 Y563	S457-C559 WeakPolarHBondContact O-CB 3.26Å; R461-C559 WeakPolarHBondContact CG-SG 3.45Å; E555-C559 VanDerWaalsContact O-CB 3.25Å; E555-C559 WeakPolarHBondContact O-CB 3.29Å; E555-C559 PolarHBondContact O-N 2.98Å; E555-C559 PolarHBondContact O-SG 3.21Å; S556-C559 WeakPolarHBondContact O-CB 3.43Å; S556-C559 PolarHBondContact O-N 3.3Å; E557-C559 PolarHBondContact O-N 3.25Å; C559-Y563 VanDerWaalsContact O-CB 3.29Å; C559-Y563 WeakPolarHBondContact O-CB 3.45Å; C559-Y563 PolarHBondContact O-N 2.86Å
560	N	96.3	Very high	94.2	Very high	67 Å²	67	45.1 Å²	45.1	36%	0.358	22%	0.218	S	C	.	.	H	α-helix	trans	-69	-37.3	175.3	-66.7	-31.8	0	0	0	112.2	S457 S556 E557 F558 Y563 T564	S457-N560 WeakPolarHBondContact CB-OD1 3.46Å; S457-N560 PolarHBondContact OG-OD1 3.38Å; S556-N560 PolarHBondContact O-N 3.45Å; S556-N560 PolarHBondContact O-ND2 3.35Å; E557-N560 WeakPolarHBondContact O-CB 3.49Å; E557-N560 PolarHBondContact O-N 3.3Å; E557-N560 VanDerWaalsContact O-N 3.12Å; F558-N560 VanDerWaalsContact C-N 3.26Å; F558-N560 PolarHBondContact O-N 3.33Å; N560-Y563 PolarHBondContact O-N 3.36Å; N560-T564 WeakPolarHBondContact O-CB 3.35Å; N560-T564 PolarHBondContact O-N 3.18Å; N560-T564 PolarHBondContact O-OG1 3.34Å
561	V	96.4	Very high	94.2	Very high	15 Å²	15	52.8 Å²	52.8	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-62.3	-48.6	174.1	177.8	0	0	0	0	110.7	E407 A411 L531 E557 F558 Y563 T564 W565	E407-V561 HydrophobicContact CG-CG1 3.92Å; A411-V561 HydrophobicContact CB-CB 4.07Å; A411-V561 HydrophobicContact CB-CG1 3.77Å; L531-V561 HydrophobicContact CD2-CG2 3.72Å; E557-V561 PolarHBondContact O-N 3.02Å; E557-V561 VanDerWaalsContact O-N 3.13Å; F558-V561 HydrophobicContact CD1-CB 4.44Å; F558-V561 HydrophobicContact CD1-CG2 4.23Å; F558-V561 PolarHBondContact O-N 3.47Å; V561-Y563 VanDerWaalsContact C-N 3.34Å; V561-Y563 PolarHBondContact O-N 3.41Å; V561-T564 PolarHBondContact O-N 3.19Å; V561-W565 VanDerWaalsContact O-CD1 3.31Å; V561-W565 PolarHBondContact O-N 2.76Å
562	V	95.9	Very high	94.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-43.9	177.1	174.6	0	0	0	0	110.9	A411 Y412 L415 F451 Y460 F558 T564 W565 R566	A411-V562 HydrophobicContact CB-CG2 3.74Å; Y412-V562 HydrophobicContact CD2-CG1 4.27Å; Y412-V562 HydrophobicContact CD2-CG2 4.43Å; L415-V562 HydrophobicContact CD1-CB 4.45Å; L415-V562 HydrophobicContact CD1-CG2 3.81Å; F451-V562 HydrophobicContact CE2-CG1 4.01Å; F451-V562 HydrophobicContact CZ-CG1 3.71Å; Y460-V562 HydrophobicContact CD1-CG1 4.03Å; Y460-V562 HydrophobicContact CD2-CB 4.33Å; Y460-V562 HydrophobicContact CD2-CG1 4.03Å; Y460-V562 HydrophobicContact CE1-CG1 3.93Å; Y460-V562 HydrophobicContact CE2-CB 4.42Å; Y460-V562 HydrophobicContact CE2-CG1 3.93Å; Y460-V562 HydrophobicContact CG-CG1 4.1Å; F558-V562 WeakPolarHBondContact O-CG2 3.5Å; F558-V562 PolarHBondContact O-N 3.25Å; V562-T564 PolarHBondContact O-N 3.23Å; V562-W565 CarbonylContact O-C 3.48Å; V562-W565 PolarHBondContact O-N 2.92Å; V562-R566 VanDerWaalsContact O-CA 3.29Å; V562-R566 WeakPolarHBondContact O-CA 3.48Å; V562-R566 PolarHBondContact O-N 3.45Å
563	Y	95.6	Very high	94	Very high	81 Å²	81	50.3 Å²	50.3	32%	0.318	23%	0.233	S	C	.	.	H	α-helix	trans	-59.7	-47.1	178.6	-175.5	-104.5	0	0	0	112.7	R455 Y460 C559 N560 V561 W565 R566	R455-Y563 WeakPolarHBondContact O-CE2 3.31Å; R455-Y563 PolarHBondContact O-OH 3.1Å; Y460-Y563 AromaticContact CE2-CD2 3.96Å; Y460-Y563 HydrophobicContact CE2-CD2 3.96Å; Y460-Y563 HydrophobicContact CE2-CG 4.42Å; C559-Y563 VanDerWaalsContact O-CB 3.29Å; C559-Y563 WeakPolarHBondContact O-CB 3.45Å; C559-Y563 PolarHBondContact O-N 2.86Å; N560-Y563 PolarHBondContact O-N 3.36Å; V561-Y563 VanDerWaalsContact C-N 3.34Å; V561-Y563 PolarHBondContact O-N 3.41Å; Y563-W565 PolarHBondContact O-N 3.36Å; Y563-R566 VanDerWaalsContact CZ-NH1 3.3Å; Y563-R566 WeakPolarHBondContact O-CB 3.17Å; Y563-R566 PolarHBondContact O-N 3.13Å; Y563-R566 PolarHBondContact OH-NH1 3.38Å
564	T	94.9	Very high	93.7	Very high	95 Å²	95	49 Å²	49	58%	0.583	23%	0.232	S	C	*	.	H	α-helix	trans	-57.1	-39.9	178.9	-58.9	0	0	0	0	111.2	N560 V561 V562	N560-T564 WeakPolarHBondContact O-CB 3.35Å; N560-T564 PolarHBondContact O-N 3.18Å; N560-T564 PolarHBondContact O-OG1 3.34Å; V561-T564 PolarHBondContact O-N 3.19Å; V562-T564 PolarHBondContact O-N 3.23Å
565	W	93.7	Very high	93.3	Very high	109 Å²	109	52 Å²	52	41%	0.413	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	17.8	-174.8	-61.7	110.2	0	0	0	114.2	H406 V561 V562 Y563 L567 Q568 V569	H406-W565 AromaticContact CE1-CD1 3.44Å; H406-W565 VanDerWaalsContact CE1-CD1 3.44Å; H406-W565 AromaticContact CE1-CD2 3.07Å; H406-W565 AromaticContact CE1-CE2 3.14Å; H406-W565 AromaticContact CE1-CE3 3.62Å; H406-W565 AromaticContact CE1-CG 3.29Å; H406-W565 AromaticContact CE1-CZ2 3.72Å; H406-W565 AromaticContact CE1-NE1 3.35Å; H406-W565 PolarHBondContact CE1-NE1 3.3Å; H406-W565 AromaticContact ND1-CD1 3.7Å; H406-W565 AromaticContact ND1-CD2 3.61Å; H406-W565 AromaticContact ND1-CG 3.38Å; H406-W565 AromaticContact NE2-CD2 3.62Å; H406-W565 AromaticContact NE2-CE2 3.7Å; H406-W565 AromaticContact NE2-CE3 3.68Å; H406-W565 AromaticContact NE2-CH2 3.9Å; H406-W565 AromaticContact NE2-CZ2 3.85Å; H406-W565 AromaticContact NE2-CZ3 3.83Å; V561-W565 VanDerWaalsContact O-CD1 3.31Å; V561-W565 PolarHBondContact O-N 2.76Å; V562-W565 CarbonylContact O-C 3.48Å; V562-W565 PolarHBondContact O-N 2.92Å; Y563-W565 PolarHBondContact O-N 3.36Å; W565-L567 VanDerWaalsContact C-N 3.29Å; W565-L567 PolarHBondContact O-N 2.77Å; W565-L567 VanDerWaalsContact O-N 3.1Å; W565-Q568 WeakPolarHBondContact O-CA 3.46Å; W565-Q568 WeakPolarHBondContact O-CB 3.18Å; W565-Q568 PolarHBondContact O-N 3.32Å; W565-V569 HydrophobicContact CB-CG2 4.43Å; W565-V569 WeakPolarHBondContact O-CG2 3.49Å; W565-V569 PolarHBondContact O-N 2.76Å
566	R	93.4	Very high	93	Very high	92 Å²	92	51.2 Å²	51.2	35%	0.347	25%	0.245	S	C	.	.	H	α-helix	trans	-53.6	-39.5	-168.8	70.6	-175.3	-175.1	-144.8	-1.6	114.8	F451 Y460 V562 Y563 V569 I570	F451-R566 HydrophobicContact CE1-CB 4.43Å; Y460-R566 WeakPolarHBondContact OH-CB 3.39Å; V562-R566 VanDerWaalsContact O-CA 3.29Å; V562-R566 WeakPolarHBondContact O-CA 3.48Å; V562-R566 PolarHBondContact O-N 3.45Å; Y563-R566 VanDerWaalsContact CZ-NH1 3.3Å; Y563-R566 WeakPolarHBondContact O-CB 3.17Å; Y563-R566 PolarHBondContact O-N 3.13Å; Y563-R566 PolarHBondContact OH-NH1 3.38Å; R566-V569 PolarHBondContact O-N 3.04Å; R566-I570 VanDerWaalsContact O-CG1 3.29Å; R566-I570 WeakPolarHBondContact O-CG1 3.32Å; R566-I570 PolarHBondContact O-N 2.81Å
567	L	91.7	Very high	92.5	Very high	113 Å²	113	53.7 Å²	53.7	59%	0.592	25%	0.25	S	S	*	.	H	α-helix	trans	-69.3	-37.3	180	-66.8	179.1	0	0	0	111.5	W565 R571	W565-L567 VanDerWaalsContact C-N 3.29Å; W565-L567 PolarHBondContact O-N 2.77Å; W565-L567 VanDerWaalsContact O-N 3.1Å; L567-R571 WeakPolarHBondContact O-CG 3.45Å; L567-R571 PolarHBondContact O-N 3.2Å
568	Q	92.8	Very high	91.8	Very high	65 Å²	65	57.3 Å²	57.3	30%	0.304	27%	0.267	S	S	.	.	H	α-helix	trans	-70.4	-41.3	176	-169.6	61	21.2	0	0	110.6	H406 W565 I570 R571 E572	H406-Q568 HydrophobicContact CB-CG 3.73Å; W565-Q568 WeakPolarHBondContact O-CA 3.46Å; W565-Q568 WeakPolarHBondContact O-CB 3.18Å; W565-Q568 PolarHBondContact O-N 3.32Å; Q568-I570 PolarHBondContact O-N 3.3Å; Q568-R571 PolarHBondContact O-N 3.33Å; Q568-E572 HydrophobicContact CG-CG 4.46Å; Q568-E572 WeakPolarHBondContact CG-OE1 3.43Å; Q568-E572 PolarHBondContact NE2-OE1 3.09Å; Q568-E572 WeakPolarHBondContact O-CB 3.44Å; Q568-E572 WeakPolarHBondContact O-CG 3.36Å; Q568-E572 PolarHBondContact O-N 3.45Å
569	V	92.5	Very high	90.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.8	-47.6	174	172	0	0	0	0	111	G408 I409 F451 W565 R566 R571 E572 L573	G408-V569 VanDerWaalsContact C-CG2 3.45Å; I409-V569 HydrophobicContact CD1-CB 4.4Å; I409-V569 HydrophobicContact CD1-CG1 4.05Å; F451-V569 HydrophobicContact CE1-CB 4.48Å; F451-V569 HydrophobicContact CE1-CG1 4.05Å; F451-V569 HydrophobicContact CE2-CG1 4.04Å; F451-V569 HydrophobicContact CZ-CB 4.14Å; F451-V569 HydrophobicContact CZ-CG1 3.45Å; F451-V569 VanDerWaalsContact CZ-CG1 3.45Å; W565-V569 HydrophobicContact CB-CG2 4.43Å; W565-V569 WeakPolarHBondContact O-CG2 3.49Å; W565-V569 PolarHBondContact O-N 2.76Å; R566-V569 PolarHBondContact O-N 3.04Å; V569-R571 PolarHBondContact O-N 3.34Å; V569-E572 PolarHBondContact O-N 3.06Å; V569-L573 HydrophobicContact CG1-CD1 3.58Å; V569-L573 HydrophobicContact CG1-CG 4.15Å; V569-L573 VanDerWaalsContact O-CB 3.31Å; V569-L573 WeakPolarHBondContact O-CB 3.49Å; V569-L573 WeakPolarHBondContact O-CG 3.43Å; V569-L573 PolarHBondContact O-N 3.1Å
570	I	90.6	Very high	90.6	Very high	27 Å²	27	61.6 Å²	61.6	14%	0.138	29%	0.288	C	S	.	.	H	α-helix	trans	-58.5	-45.7	177.7	-69.6	161.9	0	0	0	111.8	F451 R452 R566 Q568 S574	F451-I570 HydrophobicContact CD1-CD1 4.01Å; F451-I570 HydrophobicContact CD1-CG1 3.58Å; F451-I570 HydrophobicContact CE1-CD1 4.15Å; F451-I570 HydrophobicContact CE1-CG1 3.67Å; R452-I570 HydrophobicContact CG-CD1 3.91Å; R566-I570 VanDerWaalsContact O-CG1 3.29Å; R566-I570 WeakPolarHBondContact O-CG1 3.32Å; R566-I570 PolarHBondContact O-N 2.81Å; Q568-I570 PolarHBondContact O-N 3.3Å; I570-S574 PolarHBondContact O-N 3.3Å; I570-S574 VanDerWaalsContact O-N 3.1Å; I570-S574 PolarHBondContact O-OG 3.39Å; I570-S574 VanDerWaalsContact O-OG 3.13Å
571	R	90.8	Very high	90.3	Very high	170 Å²	170	61.3 Å²	61.3	64%	0.642	28%	0.284	S	S	*	.	H	α-helix	trans	-63.5	-46.6	-179.9	-72.2	173.3	179.7	173.7	-1.1	111.7	L567 Q568 V569 S574 L575	L567-R571 WeakPolarHBondContact O-CG 3.45Å; L567-R571 PolarHBondContact O-N 3.2Å; Q568-R571 PolarHBondContact O-N 3.33Å; V569-R571 PolarHBondContact O-N 3.34Å; R571-S574 PolarHBondContact O-N 2.98Å; R571-L575 PolarHBondContact O-N 3.42Å
572	E	92.1	Very high	90	Very high	13 Å²	13	63.8 Å²	63.8	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-72.1	-31.7	-178.3	-72.5	176.9	-177.7	0	0	112.3	L405 H406 I409 Q568 V569 L575 L576	L405-E572 HydrophobicContact CD2-CB 4.17Å; L405-E572 HydrophobicContact CD2-CG 4.33Å; H406-E572 WeakPolarHBondContact CB-OE1 3.39Å; H406-E572 WeakPolarHBondContact CB-OE2 3.16Å; H406-E572 VanDerWaalsContact N-CD 3.34Å; H406-E572 PolarHBondContact N-OE1 3.25Å; H406-E572 PolarHBondContact N-OE2 3.11Å; I409-E572 HydrophobicContact CD1-CB 3.69Å; I409-E572 HydrophobicContact CG1-CB 3.72Å; I409-E572 WeakPolarHBondContact CG1-OE2 3.35Å; Q568-E572 HydrophobicContact CG-CG 4.46Å; Q568-E572 WeakPolarHBondContact CG-OE1 3.43Å; Q568-E572 PolarHBondContact NE2-OE1 3.09Å; Q568-E572 WeakPolarHBondContact O-CB 3.44Å; Q568-E572 WeakPolarHBondContact O-CG 3.36Å; Q568-E572 PolarHBondContact O-N 3.45Å; V569-E572 PolarHBondContact O-N 3.06Å; E572-L575 WeakPolarHBondContact O-CB 3.48Å; E572-L575 PolarHBondContact O-N 2.66Å; E572-L576 VanDerWaalsContact O-CG 3.31Å; E572-L576 WeakPolarHBondContact O-CG 3.44Å; E572-L576 PolarHBondContact O-N 3Å
573	L	88.7	Confident	89.7	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-64.8	-39.8	170.8	-73.9	170	0	0	0	112.1	I409 F447 L448 L467 V569 L575 L576 K577	I409-L573 HydrophobicContact CD1-CD2 3.91Å; I409-L573 HydrophobicContact CD1-CG 3.69Å; F447-L573 HydrophobicContact CE1-CD1 3.77Å; F447-L573 HydrophobicContact CE1-CD2 4.46Å; F447-L573 HydrophobicContact CZ-CD1 3.92Å; L448-L573 HydrophobicContact CD2-CB 4Å; L448-L573 HydrophobicContact CD2-CD1 4.21Å; L467-L573 HydrophobicContact CD1-CD2 4.4Å; L467-L573 HydrophobicContact CD2-CD2 3.4Å; V569-L573 HydrophobicContact CG1-CD1 3.58Å; V569-L573 HydrophobicContact CG1-CG 4.15Å; V569-L573 VanDerWaalsContact O-CB 3.31Å; V569-L573 WeakPolarHBondContact O-CB 3.49Å; V569-L573 WeakPolarHBondContact O-CG 3.43Å; V569-L573 PolarHBondContact O-N 3.1Å; L573-L575 VanDerWaalsContact C-N 3.34Å; L573-L576 PolarHBondContact O-N 2.94Å; L573-K577 PolarHBondContact O-N 2.91Å
574	S	86.4	Confident	89.3	Confident	39 Å²	39	66.8 Å²	66.8	27%	0.273	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-41.5	173.1	-61.7	0	0	0	0	111.3	I570 R571 L576 K577 E578	I570-S574 PolarHBondContact O-N 3.3Å; I570-S574 VanDerWaalsContact O-N 3.1Å; I570-S574 PolarHBondContact O-OG 3.39Å; I570-S574 VanDerWaalsContact O-OG 3.13Å; R571-S574 PolarHBondContact O-N 2.98Å; S574-L576 PolarHBondContact O-N 3.27Å; S574-K577 WeakPolarHBondContact O-CB 3.18Å; S574-K577 PolarHBondContact O-N 3.24Å; S574-E578 PolarHBondContact O-N 3.49Å
575	L	88	Confident	88.9	Confident	62 Å²	62	64.9 Å²	64.9	33%	0.325	29%	0.293	S	S	.	.	H	α-helix	trans	-62	-42.4	173.6	178.8	66.4	0	0	0	112.3	I403 R571 E572 L573 K577 E578 I579	I403-L575 HydrophobicContact CD1-CD2 4.26Å; I403-L575 HydrophobicContact CG2-CD2 3.75Å; R571-L575 PolarHBondContact O-N 3.42Å; E572-L575 WeakPolarHBondContact O-CB 3.48Å; E572-L575 PolarHBondContact O-N 2.66Å; L573-L575 VanDerWaalsContact C-N 3.34Å; L575-K577 VanDerWaalsContact C-N 3.3Å; L575-K577 PolarHBondContact O-N 3.49Å; L575-E578 PolarHBondContact O-N 3.26Å; L575-I579 HydrophobicContact CG-CD1 4.43Å; L575-I579 WeakPolarHBondContact O-CG1 3.29Å; L575-I579 PolarHBondContact O-N 3.26Å
576	L	88.4	Confident	88.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-33.1	177.8	-73.6	173.7	0	0	0	112.5	V394 V398 L405 I409 F413 F441 E572 L573 S574 E578 I579	V394-L576 HydrophobicContact CG1-CD2 3.95Å; V398-L576 HydrophobicContact CG2-CD2 3.58Å; L405-L576 HydrophobicContact CD1-CD1 4.48Å; L405-L576 HydrophobicContact CD1-CD2 4.25Å; L405-L576 HydrophobicContact CD2-CD2 4.36Å; L405-L576 HydrophobicContact CD2-CG 4.42Å; I409-L576 HydrophobicContact CG2-CD1 4.09Å; F413-L576 HydrophobicContact CZ-CD1 3.89Å; F441-L576 HydrophobicContact CE1-CB 4.33Å; F441-L576 HydrophobicContact CE2-CB 4.48Å; F441-L576 HydrophobicContact CE2-CD1 4.42Å; F441-L576 HydrophobicContact CZ-CB 3.74Å; F441-L576 HydrophobicContact CZ-CD1 4.38Å; E572-L576 VanDerWaalsContact O-CG 3.31Å; E572-L576 WeakPolarHBondContact O-CG 3.44Å; E572-L576 PolarHBondContact O-N 3Å; L573-L576 PolarHBondContact O-N 2.94Å; S574-L576 PolarHBondContact O-N 3.27Å; L576-E578 VanDerWaalsContact C-N 3.3Å; L576-E578 PolarHBondContact O-N 3.33Å; L576-I579 HydrophobicContact CD2-CD1 4.31Å; L576-I579 PolarHBondContact O-N 3.26Å
577	K	83.6	Confident	88.2	Confident	90 Å²	90	59.4 Å²	59.4	39%	0.391	28%	0.28	S	S	.	.	H	α-helix	trans	-66.2	-31.2	174.2	175.3	174.7	169.7	147.8	0	112.8	D443 L573 S574 L575 I579	D443-K577 VanDerWaalsContact CG-CE 3.43Å; D443-K577 WeakPolarHBondContact OD1-CD 3.5Å; D443-K577 WeakPolarHBondContact OD1-CE 3.39Å; D443-K577 IonicContact OD1-NZ 2.66Å; D443-K577 PolarHBondContact OD1-NZ 2.85Å; D443-K577 WeakPolarHBondContact OD2-CE 3.31Å; D443-K577 IonicContact OD2-NZ 3.84Å; D443-K577 PolarHBondContact OD2-NZ 3.07Å; L573-K577 PolarHBondContact O-N 2.91Å; S574-K577 WeakPolarHBondContact O-CB 3.18Å; S574-K577 PolarHBondContact O-N 3.24Å; L575-K577 VanDerWaalsContact C-N 3.3Å; L575-K577 PolarHBondContact O-N 3.49Å; K577-I579 VanDerWaalsContact C-N 3.3Å
578	E	81.9	Confident	87.9	Confident	160 Å²	160	54.9 Å²	54.9	75%	0.748	25%	0.254	S	S	*	.	H	α-helix	trans	-75.1	-17	175.9	-68.2	175.3	-175.6	0	0	113.5	S574 L575 L576	S574-E578 PolarHBondContact O-N 3.49Å; L575-E578 PolarHBondContact O-N 3.26Å; L576-E578 VanDerWaalsContact C-N 3.3Å; L576-E578 PolarHBondContact O-N 3.33Å
579	I	79.2	Confident	87.5	Confident	28 Å²	28	54 Å²	54	14%	0.144	25%	0.25	C	C	.	.			trans	-88	0	-177.4	-69.5	171.3	0	0	0	111.7	R389 T397 V398 I403 L575 L576 K577	R389-I579 PolarHBondContact NH1-O 3.23Å; T397-I579 HydrophobicContact CG2-CG2 3.45Å; T397-I579 VanDerWaalsContact CG2-CG2 3.45Å; V398-I579 HydrophobicContact CG2-CD1 4.27Å; I403-I579 HydrophobicContact CD1-CD1 3.47Å; I403-I579 VanDerWaalsContact CD1-CD1 3.47Å; L575-I579 HydrophobicContact CG-CD1 4.43Å; L575-I579 WeakPolarHBondContact O-CG1 3.29Å; L575-I579 PolarHBondContact O-N 3.26Å; L576-I579 HydrophobicContact CD2-CD1 4.31Å; L576-I579 PolarHBondContact O-N 3.26Å; K577-I579 VanDerWaalsContact C-N 3.3Å

Retrieved 579 of 579 residues in 577.1 ms (Link to these results)

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