A0A077Z854_TRITR Loading...

APOBEC N domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z854, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 609 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	30.2	Very low	237 Å²	237	173.7 Å²	173.7	100%	1.167	85%	0.845	S	S	*	*				0	102.4	0	-80	-71.3	-106.3	0	0	105.5
2	D	32.8	Very low	29.9	Very low	141 Å²	141	179.9 Å²	179.9	75%	0.754	85%	0.853	S	S	*	*			trans	-56.9	151.6	-169.9	-54.8	-65.6	0	0	0	113.9
3	Y	41	Very low	29.5	Very low	238 Å²	238	173.4 Å²	173.4	93%	0.933	84%	0.838	S	S	*	*				-160.4	89.1	126	-104.1	-75.8	0	0	0	108.1
4	L	27.5	Very low	29.2	Very low	151 Å²	151	171.6 Å²	171.6	79%	0.791	84%	0.835	S	S	*	*			trans	-79.8	142.6	146	-84.8	157.5	0	0	0	107.1
5	E	31.9	Very low	28.7	Very low	177 Å²	177	169.6 Å²	169.6	83%	0.827	83%	0.83	S	S	*	*				161.5	117.2	125.1	-88.5	178.6	177.8	0	0	112.3
6	D	26.8	Very low	28.8	Very low	145 Å²	145	166.6 Å²	166.6	78%	0.775	83%	0.831	S	S	*	*				36.4	125.8	129.6	-76.1	-23.6	0	0	0	121.4
7	R	33.6	Very low	28.4	Very low	241 Å²	241	168 Å²	168	91%	0.909	83%	0.831	S	S	*	*			trans	-157.6	92.5	132	-114.1	170.3	175.2	-178.8	-1.1	113.3
8	T	27.1	Very low	28.3	Very low	109 Å²	109	168.2 Å²	168.2	67%	0.669	83%	0.83	S	S	*	*			trans	7.2	132.1	134.6	41.2	0	0	0	0	121
9	E	21.5	Very low	28	Very low	178 Å²	178	165.3 Å²	165.3	83%	0.832	83%	0.827	S	S	*	*			trans	17.8	127.3	133.5	-69.1	177.2	155.6	0	0	119.9
10	S	30.2	Very low	28	Very low	118 Å²	118	167.4 Å²	167.4	83%	0.825	83%	0.827	S	S	*	*			trans	-147.3	109.7	142.4	33.2	0	0	0	0	111.4
11	H	21.5	Very low	27.7	Very low	176 Å²	176	162.7 Å²	162.7	82%	0.815	82%	0.821	S	S	*	*			trans	-51.4	132.1	155.3	-89.7	-76.6	0	0	0	111
12	R	27.7	Very low	26.9	Very low	248 Å²	248	159.7 Å²	159.7	94%	0.936	81%	0.809	S	S	*	*			trans	-143.7	108.3	146.3	-98.9	-172.6	178.6	-179.9	-0.8	111.1
13	S	23.7	Very low	26.6	Very low	95 Å²	95	158.6 Å²	158.6	66%	0.664	81%	0.812	S	S	*	*			trans	-53.1	144.6	155.8	-37.1	0	0	0	0	111.3
14	N	25.3	Very low	25.6	Very low	148 Å²	148	154.5 Å²	154.5	79%	0.791	81%	0.806	S	S	*	*				-177	130	115	-97.3	-6.3	0	0	0	112.6
15	D	22	Very low	25.5	Very low	142 Å²	142	152.5 Å²	152.5	76%	0.759	81%	0.805	S	S	*	*			trans	-21.9	137.7	154	-67.6	-59.2	0	0	0	116.8
16	S	29.7	Very low	25.1	Very low	122 Å²	122	152.4 Å²	152.4	85%	0.853	80%	0.804	S	S	*	*			trans	-150.9	94.8	145.1	-71.1	0	0	0	0	109.5
17	K	22.9	Very low	25.1	Very low	190 Å²	190	153.2 Å²	153.2	83%	0.826	81%	0.807	S	S	*	*			trans	-51.4	131.6	159.9	-68.7	168.2	174	173.1	0	110.3
18	Q	27.1	Very low	24.6	Very low	172 Å²	172	149.4 Å²	149.4	80%	0.804	80%	0.8	S	S	*	*			trans	-139	95.5	143.8	-80.1	-167.1	-5.2	0	0	109.8
19	S	21.5	Very low	24.4	Very low	112 Å²	112	151.1 Å²	151.1	78%	0.783	81%	0.805	S	S	*	*			trans	-80.7	117	152.4	50.4	0	0	0	0	108.8
20	Y	28.2	Very low	24.5	Very low	208 Å²	208	150.2 Å²	150.2	82%	0.816	81%	0.805	S	S	*	*			trans	-122.4	124.1	150.3	-81.5	-88.9	0	0	0	103.6
21	G	22.7	Very low	24	Very low	68 Å²	68	150.3 Å²	150.3	70%	0.701	80%	0.801	S	S	*	*			cis	119.4	103.6	38.4	0	0	0	0	0	105.7
22	L	20.7	Very low	24.1	Very low	175 Å²	175	146.6 Å²	146.6	92%	0.916	79%	0.79	S	S	*	*			trans	-58.9	142	171.4	-79.7	119.4	0	0	0	110.7
23	S	26.2	Very low	23.8	Very low	117 Å²	117	142.3 Å²	142.3	82%	0.818	79%	0.786	S	S	*	*			trans	-156.6	118.3	150	39	0	0	0	0	110.8
24	D	20.5	Very low	23.7	Very low	152 Å²	152	146.5 Å²	146.5	81%	0.813	79%	0.789	S	S	*	*			trans	-46.6	146.7	161.8	-69.6	-58.9	0	0	0	113.3
25	S	25.7	Very low	23.5	Very low	109 Å²	109	148.4 Å²	148.4	76%	0.762	79%	0.793	S	S	*	*				166	124.3	114	45.5	0	0	0	0	112.7
26	H	22.6	Very low	23.5	Very low	175 Å²	175	149 Å²	149	81%	0.81	79%	0.793	S	S	*	*			trans	30.5	111.5	141.1	-81.7	-87.7	0	0	0	120.1
27	L	26.4	Very low	23	Very low	162 Å²	162	151.2 Å²	151.2	85%	0.848	79%	0.79	S	S	*	*				-152.8	101	129.9	-138.3	78	0	0	0	111.5
28	E	23.8	Very low	22.9	Very low	162 Å²	162	150 Å²	150	76%	0.757	79%	0.79	S	S	*	*			trans	41.7	112.3	140	-62.3	-179.5	158	0	0	121.9
29	N	21.8	Very low	22.6	Very low	145 Å²	145	148 Å²	148	78%	0.775	79%	0.791	S	S	*	*				26.5	104	128.6	-74.4	-19.1	0	0	0	118.7
30	L	23.6	Very low	22.6	Very low	158 Å²	158	148.4 Å²	148.4	83%	0.827	79%	0.788	S	S	*	*			trans	-134.8	79.3	137.5	-100.2	133	0	0	0	108.8	T32	L30-T32 HydrophobicContact CD2-CG2 4.36Å; L30-T32 PolarHBondContact O-N 3.32Å
31	T	20.8	Very low	22.3	Very low	121 Å²	121	143.8 Å²	143.8	74%	0.742	79%	0.785	S	S	*	*			trans	-70	101.5	154.1	38.8	0	0	0	0	108.3
32	T	24	Very low	22.3	Very low	97 Å²	97	146 Å²	146	60%	0.595	79%	0.786	S	S	*	*			trans	-115.2	83.6	157.9	36.9	0	0	0	0	108.7	L30 Y34	L30-T32 HydrophobicContact CD2-CG2 4.36Å; L30-T32 PolarHBondContact O-N 3.32Å; T32-Y34 HydrophobicContact CG2-CE2 4.25Å; T32-Y34 PolarHBondContact O-N 2.79Å
33	N	20.8	Very low	22.5	Very low	159 Å²	159	143.2 Å²	143.2	85%	0.85	78%	0.779	S	S	*	*			trans	-59.4	108.1	150.8	-81.8	-30.8	0	0	0	107.5
34	Y	22.6	Very low	22.4	Very low	183 Å²	183	146.8 Å²	146.8	72%	0.718	78%	0.783	S	S	*	*			trans	-113.5	95.1	155.8	-88.6	-80.7	0	0	0	108.3	T32 M36	T32-Y34 HydrophobicContact CG2-CE2 4.25Å; T32-Y34 PolarHBondContact O-N 2.79Å; Y34-M36 HydrophobicContact CD1-CE 3.95Å; Y34-M36 HydrophobicContact CE1-CE 4.49Å
35	Q	19.4	Very low	22.5	Very low	188 Å²	188	143.7 Å²	143.7	88%	0.879	78%	0.778	S	S	*	*			trans	-64.9	130	142.6	-77.1	175	-48.9	0	0	107.1
36	M	21.9	Very low	22.5	Very low	154 Å²	154	146.1 Å²	146.1	76%	0.759	78%	0.782	S	S	*	*			trans	-142.2	86.3	165.2	-141.7	-177.2	-65.5	0	0	105.4	Y34	Y34-M36 HydrophobicContact CD1-CE 3.95Å; Y34-M36 HydrophobicContact CE1-CE 4.49Å
37	E	19.7	Very low	22.8	Very low	168 Å²	168	143.3 Å²	143.3	79%	0.785	78%	0.779	S	S	*	*				54.6	103.4	103.7	-82.7	-170.5	166.6	0	0	113.8	T39	E37-T39 PolarHBondContact O-N 3.44Å; E37-T39 VanDerWaalsContact O-N 3.07Å
38	I	20.7	Very low	22.5	Very low	164 Å²	164	143.7 Å²	143.7	84%	0.841	78%	0.781	S	S	*	*			trans	-61.7	101.9	162.3	-61.2	167.1	0	0	0	106.9	T40	I38-T40 HydrophobicContact CG2-CG2 4.41Å
39	T	21.8	Very low	22.5	Very low	132 Å²	132	141.2 Å²	141.2	81%	0.81	78%	0.782	S	S	*	*			trans	-93.9	103.1	164.1	23	0	0	0	0	109.2	E37	E37-T39 PolarHBondContact O-N 3.44Å; E37-T39 VanDerWaalsContact O-N 3.07Å
40	T	21.4	Very low	22.4	Very low	119 Å²	119	143 Å²	143	73%	0.73	79%	0.788	S	S	*	*			trans	-67.5	164.3	156.2	46.4	0	0	0	0	111.2	I38	I38-T40 HydrophobicContact CG2-CG2 4.41Å
41	C	21.2	Very low	22.3	Very low	111 Å²	111	141.7 Å²	141.7	75%	0.75	79%	0.786	S	S	*	*			trans	105	96.1	165	-168.6	0	0	0	0	113.5
42	T	23.4	Very low	22.4	Very low	116 Å²	116	141 Å²	141	71%	0.712	79%	0.787	S	S	*	*				65.6	110.6	87.1	58	0	0	0	0	116.1
43	C	25	Very low	22.4	Very low	115 Å²	115	142.9 Å²	142.9	78%	0.777	80%	0.798	S	S	*	*			trans	57.8	97.1	143.7	-36	0	0	0	0	118.7
44	E	24.1	Very low	22.4	Very low	193 Å²	193	144.3 Å²	144.3	90%	0.902	80%	0.796	S	S	*	*			trans	-176.2	102.4	150	-103.4	162.9	-156.3	0	0	106.9
45	A	22.7	Very low	22.6	Very low	87 Å²	87	141.6 Å²	141.6	72%	0.719	80%	0.799	S	S	*	*				62.2	100.3	77.6	0	0	0	0	0	115.3
46	L	24.8	Very low	23	Very low	159 Å²	159	136.2 Å²	136.2	83%	0.832	79%	0.786	S	S	*	*			trans	69.2	160.1	156.1	-73.1	149.2	0	0	0	118.5
47	P	28.2	Very low	23.5	Very low	116 Å²	116	133.5 Å²	133.5	75%	0.753	78%	0.783	S	S	*	*			cis	-129.1	168.1	6.8	35.8	-16.4	0	0	0	116.8
48	L	21.3	Very low	24.3	Very low	171 Å²	171	136.3 Å²	136.3	90%	0.895	79%	0.786	S	S	*	*			trans	-60.8	123.8	168	-69.3	151.4	0	0	0	111.6
49	S	22.3	Very low	25.4	Very low	110 Å²	110	135.3 Å²	135.3	77%	0.769	78%	0.781	S	S	*	*			trans	-145	122.2	154.9	66.9	0	0	0	0	110.7	T51	S49-T51 PolarHBondContact O-N 3.46Å
50	M	20.7	Very low	27.1	Very low	182 Å²	182	130 Å²	130	90%	0.897	75%	0.749	S	S	*	*			trans	-61.3	125.7	169	-60.8	-150	86.7	0	0	110
51	T	22.1	Very low	28.8	Very low	130 Å²	130	131.3 Å²	131.3	80%	0.798	75%	0.752	S	S	*	*			trans	174.9	132.1	135.1	26.7	0	0	0	0	110.7	S49	S49-T51 PolarHBondContact O-N 3.46Å
52	S	22.5	Very low	30.8	Very low	107 Å²	107	128.3 Å²	128.3	75%	0.748	73%	0.728	S	S	*	*			trans	67.2	111	169.5	81.2	0	0	0	0	117.6	K54	S52-K54 PolarHBondContact O-N 3.36Å
53	V	22.9	Very low	32.7	Very low	137 Å²	137	129.5 Å²	129.5	83%	0.83	73%	0.73	S	S	*	*			trans	-58.8	95.1	162.7	178.6	0	0	0	0	108.4	T55	V53-T55 HydrophobicContact CG1-CG2 4.33Å
54	K	22	Very low	34.6	Very low	189 Å²	189	127 Å²	127	82%	0.822	72%	0.718	S	S	*	*			trans	-99.8	106.3	146.2	-82	-176.4	177.8	178.8	0	105.3	S52 A56	S52-K54 PolarHBondContact O-N 3.36Å; K54-A56 VanDerWaalsContact C-N 3.28Å; K54-A56 PolarHBondContact O-N 2.77Å
55	T	25.8	Very low	36.5	Very low	125 Å²	125	118 Å²	118	77%	0.767	68%	0.676	S	S	*	*			trans	-49.7	97.5	167.2	31.9	0	0	0	0	107.8	V53 S57	V53-T55 HydrophobicContact CG1-CG2 4.33Å; T55-S57 PolarHBondContact O-N 3.07Å
56	A	28.5	Very low	38.5	Very low	75 Å²	75	120.3 Å²	120.3	62%	0.62	67%	0.67	S	S	*	*			trans	-55	109.9	161.8	0	0	0	0	0	104.8	K54 W58	K54-A56 VanDerWaalsContact C-N 3.28Å; K54-A56 PolarHBondContact O-N 2.77Å; A56-W58 VanDerWaalsContact C-N 3.25Å; A56-W58 PolarHBondContact O-N 3.44Å
57	S	31.7	Very low	40.8	Very low	97 Å²	97	113 Å²	113	68%	0.678	63%	0.632	S	S	*	*			trans	-64.7	92.6	177.5	52.3	0	0	0	0	107	T55 I59	T55-S57 PolarHBondContact O-N 3.07Å; S57-I59 PolarHBondContact O-N 2.99Å
58	W	37.3	Very low	42.4	Very low	228 Å²	228	113 Å²	113	86%	0.864	62%	0.617	S	S	*	*			trans	-62	107.2	170.1	-82.7	78.9	0	0	0	107.4	A56 C60	A56-W58 VanDerWaalsContact C-N 3.25Å; A56-W58 PolarHBondContact O-N 3.44Å; W58-C60 PolarHBondContact O-N 2.81Å
59	I	44.5	Very low	44.5	Very low	142 Å²	142	112.8 Å²	112.8	73%	0.728	61%	0.609	S	S	*	*			trans	-71.5	116.1	173.4	-59.7	172.9	0	0	0	106.4	S57 N61	S57-I59 PolarHBondContact O-N 2.99Å; I59-N61 PolarHBondContact O-N 2.98Å
60	C	57.1	Low	46.6	Very low	21 Å²	21	114.8 Å²	114.8	14%	0.142	60%	0.601	C	S	.	*			trans	-67.6	121.2	179.8	176.9	0	0	0	0	110.6	W58 N62 R68 C74 C80	W58-C60 PolarHBondContact O-N 2.81Å; C60-N62 VanDerWaalsContact C-N 3.31Å; C60-N62 PolarHBondContact O-N 3.08Å; C60-R68 WeakPolarHBondContact O-CD 3.19Å; C60-C74 WeakPolarHBondContact CB-SG 3.42Å; C60-C80 VanDerWaalsContact SG-CB 3.52Å; C60-C80 VanDerWaalsContact SG-SG 3.67Å
61	N	56	Low	48.4	Very low	146 Å²	146	109.6 Å²	109.6	78%	0.781	59%	0.594	S	S	*	*			trans	-86.1	5.6	178.3	-77.2	-12.9	0	0	0	114.1	I59 R68	I59-N61 PolarHBondContact O-N 2.98Å; N61-R68 PolarHBondContact O-NH1 3.07Å
62	N	64.1	Low	50.3	Low	49 Å²	49	109.4 Å²	109.4	26%	0.262	58%	0.584	S	S	.	*			trans	-91.1	118.5	-176.1	-167.6	-21.4	0	0	0	111.1	C60 A64 C65 C80	C60-N62 VanDerWaalsContact C-N 3.31Å; C60-N62 PolarHBondContact O-N 3.08Å; N62-A64 PolarHBondContact O-N 2.77Å; N62-A64 VanDerWaalsContact O-N 3.13Å; N62-A64 PolarHBondContact OD1-N 3.03Å; N62-C65 PolarHBondContact O-N 2.75Å; N62-C80 HydrophobicContact CB-CB 4.43Å
63	D	63.3	Low	52.1	Low	140 Å²	140	108.1 Å²	108.1	75%	0.749	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-20.7	178.8	-65.3	-34.3	0	0	0	113.1	R68	D63-R68 IonicContact OD1-CZ 3.72Å; D63-R68 VanDerWaalsContact OD1-CZ 3.29Å; D63-R68 IonicContact OD1-NH1 2.96Å; D63-R68 PolarHBondContact OD1-NH1 3.08Å; D63-R68 IonicContact OD1-NH2 3.38Å; D63-R68 PolarHBondContact OD1-NH2 3.38Å
64	A	64.7	Low	53.9	Low	62 Å²	62	103.5 Å²	103.5	51%	0.512	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.5	-8	179.9	0	0	0	0	0	115	N62 K66 Y79	N62-A64 PolarHBondContact O-N 2.77Å; N62-A64 VanDerWaalsContact O-N 3.13Å; N62-A64 PolarHBondContact OD1-N 3.03Å; A64-K66 PolarHBondContact O-N 2.93Å; A64-Y79 HydrophobicContact CB-CD1 4.02Å; A64-Y79 HydrophobicContact CB-CE1 4.09Å
65	C	64	Low	55.9	Low	4 Å²	4	99.8 Å²	99.8	3%	0.027	54%	0.539	C	S	.	.			trans	-81.5	120.3	-179.6	-178.2	0	0	0	0	111.1	N62 C67 R68 C78 C80	N62-C65 PolarHBondContact O-N 2.75Å; C65-C67 VanDerWaalsContact C-N 3.28Å; C65-C67 PolarHBondContact O-N 3.49Å; C65-R68 WeakPolarHBondContact O-CB 3.4Å; C65-R68 PolarHBondContact O-N 3.35Å; C65-R68 VanDerWaalsContact O-N 3.15Å; C65-C78 WeakPolarHBondContact CB-SG 3.12Å; C65-C78 WeakPolarHBondContact SG-CB 3.28Å; C65-C78 CovalentContact SG-SG 2.08Å; C65-C78 PolarHBondContact SG-SG 3.02Å; C65-C80 HydrophobicContact CB-CB 4.31Å
66	K	65.5	Low	57.2	Low	136 Å²	136	100.6 Å²	100.6	59%	0.591	54%	0.539	S	S	*	.	H	α-helix	trans	-58.4	-34.7	178.1	-74.5	-173.1	175.9	-174.4	0	112.9	A64 R68 K69 Y70	A64-K66 PolarHBondContact O-N 2.93Å; K66-R68 PolarHBondContact O-N 2.82Å; K66-K69 WeakPolarHBondContact O-CB 3.3Å; K66-K69 PolarHBondContact O-N 2.95Å; K66-Y70 VanDerWaalsContact O-CD2 3.28Å; K66-Y70 WeakPolarHBondContact O-CD2 3.38Å; K66-Y70 PolarHBondContact O-N 2.99Å
67	C	72.1	Confident	58.4	Low	7 Å²	7	98.9 Å²	98.9	5%	0.047	53%	0.528	C	S	.	.	H	α-helix	trans	-58.7	-33.3	178.2	-52.1	0	0	0	0	112.5	C65 Y70 G71 E72	C65-C67 VanDerWaalsContact C-N 3.28Å; C65-C67 PolarHBondContact O-N 3.49Å; C67-Y70 CarbonylContact O-C 3.27Å; C67-Y70 PolarHBondContact O-N 3.32Å; C67-G71 PolarHBondContact O-N 3.14Å; C67-E72 HydrophobicContact CB-CB 4.4Å; C67-E72 PolarHBondContact O-N 3.39Å
68	R	62.8	Low	59.6	Low	115 Å²	115	94.7 Å²	94.7	43%	0.434	50%	0.499	S	S	.	.	H	α-helix	trans	-67.5	-38.4	176.2	-178.2	-176.8	169.7	-167	-11.5	112.1	C60 N61 D63 C65 K66 Y70 G71	C60-R68 WeakPolarHBondContact O-CD 3.19Å; N61-R68 PolarHBondContact O-NH1 3.07Å; D63-R68 IonicContact OD1-CZ 3.72Å; D63-R68 VanDerWaalsContact OD1-CZ 3.29Å; D63-R68 IonicContact OD1-NH1 2.96Å; D63-R68 PolarHBondContact OD1-NH1 3.08Å; D63-R68 IonicContact OD1-NH2 3.38Å; D63-R68 PolarHBondContact OD1-NH2 3.38Å; C65-R68 WeakPolarHBondContact O-CB 3.4Å; C65-R68 PolarHBondContact O-N 3.35Å; C65-R68 VanDerWaalsContact O-N 3.15Å; K66-R68 PolarHBondContact O-N 2.82Å; R68-Y70 PolarHBondContact O-N 2.79Å; R68-G71 PolarHBondContact O-N 3.39Å
69	K	64.5	Low	60.4	Low	167 Å²	167	90.5 Å²	90.5	73%	0.726	48%	0.484	S	S	*	.	H	α-helix	trans	-59.3	-31.7	176.9	-170	-176.9	178.3	-171.1	0	111.5	K66	K66-K69 WeakPolarHBondContact O-CB 3.3Å; K66-K69 PolarHBondContact O-N 2.95Å
70	Y	67.4	Low	61	Low	151 Å²	151	85.4 Å²	85.4	59%	0.592	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	2.1	-177.9	-60.2	-65.9	0	0	0	114.1	K66 C67 R68 E72	K66-Y70 VanDerWaalsContact O-CD2 3.28Å; K66-Y70 WeakPolarHBondContact O-CD2 3.38Å; K66-Y70 PolarHBondContact O-N 2.99Å; C67-Y70 CarbonylContact O-C 3.27Å; C67-Y70 PolarHBondContact O-N 3.32Å; R68-Y70 PolarHBondContact O-N 2.79Å; Y70-E72 VanDerWaalsContact C-N 3.27Å; Y70-E72 PolarHBondContact O-N 2.64Å
71	G	57.6	Low	60.9	Low	74 Å²	74	89.2 Å²	89.2	76%	0.763	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	20.5	-179.8	0	0	0	0	0	114.7	C67 R68	C67-G71 PolarHBondContact O-N 3.14Å; R68-G71 PolarHBondContact O-N 3.39Å
72	E	62.9	Low	60.4	Low	126 Å²	126	89.9 Å²	89.9	59%	0.589	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-95.4	154.2	-177	-64.7	-178.4	166.3	0	0	112.5	C67 Y70	C67-E72 HydrophobicContact CB-CB 4.4Å; C67-E72 PolarHBondContact O-N 3.39Å; Y70-E72 VanDerWaalsContact C-N 3.27Å; Y70-E72 PolarHBondContact O-N 2.64Å
73	A	59.1	Low	59.1	Low	80 Å²	80	92.1 Å²	92.1	66%	0.661	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-67	136.9	172.4	0	0	0	0	0	111.2
74	C	60.8	Low	57.7	Low	39 Å²	39	90.6 Å²	90.6	26%	0.264	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-70.1	137	178.5	-63.1	0	0	0	0	111.8	C60 C78	C60-C74 WeakPolarHBondContact CB-SG 3.42Å; C74-C78 HydrophobicContact CB-CB 4.38Å
75	H	64.1	Low	56.2	Low	111 Å²	111	94.4 Å²	94.4	51%	0.514	49%	0.493	S	S	.	.			trans	-109.6	170.2	177.7	56.2	91.6	0	0	0	111.3	G77 C78	H75-G77 PolarHBondContact ND1-N 3.29Å; H75-G77 PolarHBondContact O-N 3.12Å; H75-C78 PolarHBondContact O-N 3.08Å
76	N	52.6	Low	54.6	Low	143 Å²	143	101.7 Å²	101.7	77%	0.765	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-1.1	-177.2	-67.3	-10.5	0	0	0	115.3	Q81	N76-Q81 PolarHBondContact OD1-OE1 2.66Å
77	G	55.1	Low	52.8	Low	38 Å²	38	103.7 Å²	103.7	39%	0.392	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-10.2	175.2	0	0	0	0	0	115.3	H75	H75-G77 PolarHBondContact ND1-N 3.29Å; H75-G77 PolarHBondContact O-N 3.12Å
78	C	56.9	Low	50.8	Low	10 Å²	10	109.5 Å²	109.5	7%	0.068	57%	0.574	C	S	.	*	S	Bend	trans	-68	147.4	-178.4	-163.6	0	0	0	0	110.9	C65 C74 H75 C80 Q81 K82	C65-C78 WeakPolarHBondContact CB-SG 3.12Å; C65-C78 WeakPolarHBondContact SG-CB 3.28Å; C65-C78 CovalentContact SG-SG 2.08Å; C65-C78 PolarHBondContact SG-SG 3.02Å; C74-C78 HydrophobicContact CB-CB 4.38Å; H75-C78 PolarHBondContact O-N 3.08Å; C78-C80 PolarHBondContact O-N 2.78Å; C78-C80 VanDerWaalsContact O-N 3.1Å; C78-Q81 PolarHBondContact O-N 3.22Å; C78-K82 PolarHBondContact O-N 2.75Å
79	Y	54.2	Low	49.1	Very low	140 Å²	140	108.1 Å²	108.1	55%	0.549	60%	0.595	S	S	.	*	G	3₁₀ helix	trans	-47.2	-35.9	172.4	-169.4	-101.4	0	0	0	113.6	A64 Q81 K82	A64-Y79 HydrophobicContact CB-CD1 4.02Å; A64-Y79 HydrophobicContact CB-CE1 4.09Å; Y79-Q81 VanDerWaalsContact C-N 3.33Å; Y79-Q81 PolarHBondContact O-N 3.4Å; Y79-K82 PolarHBondContact O-N 2.9Å
80	C	56.9	Low	47.2	Very low	35 Å²	35	107.4 Å²	107.4	24%	0.236	60%	0.598	C	S	.	*	G	3₁₀ helix	trans	-69.9	-22.9	178.2	61.1	0	0	0	0	114.6	C60 N62 C65 C78	C60-C80 VanDerWaalsContact SG-CB 3.52Å; C60-C80 VanDerWaalsContact SG-SG 3.67Å; N62-C80 HydrophobicContact CB-CB 4.43Å; C65-C80 HydrophobicContact CB-CB 4.31Å; C78-C80 PolarHBondContact O-N 2.78Å; C78-C80 VanDerWaalsContact O-N 3.1Å
81	Q	53.6	Low	45.2	Very low	101 Å²	101	105.8 Å²	105.8	47%	0.472	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-88.2	-15.9	172.9	-84.6	-127.9	-7.6	0	0	113	N76 C78 Y79 L83	N76-Q81 PolarHBondContact OD1-OE1 2.66Å; C78-Q81 PolarHBondContact O-N 3.22Å; Y79-Q81 VanDerWaalsContact C-N 3.33Å; Y79-Q81 PolarHBondContact O-N 3.4Å; Q81-L83 VanDerWaalsContact C-N 3.33Å
82	K	45.5	Very low	43.7	Very low	159 Å²	159	107.8 Å²	107.8	69%	0.691	61%	0.606	S	S	*	*	S	Bend	trans	-86.7	0.7	178.5	-74.9	-174.9	177.1	177	0	113.9	C78 Y79	C78-K82 PolarHBondContact O-N 2.75Å; Y79-K82 PolarHBondContact O-N 2.9Å
83	L	36.9	Very low	41.9	Very low	96 Å²	96	106.5 Å²	106.5	50%	0.503	61%	0.611	S	S	.	*	S	Bend	trans	-78	130.9	164.1	-71.8	168.1	0	0	0	107.4	Q81 N85	Q81-L83 VanDerWaalsContact C-N 3.33Å; L83-N85 PolarHBondContact O-N 3.29Å
84	P	34.7	Very low	40.2	Very low	109 Å²	109	112.5 Å²	112.5	71%	0.708	62%	0.622	S	S	*	*			trans	-59.9	114.9	-178.2	24.1	-29.9	0	0	0	107.6	D86	P84-D86 PolarHBondContact O-N 2.78Å; P84-D86 VanDerWaalsContact O-N 3.08Å
85	N	32.1	Very low	38.4	Very low	142 Å²	142	119.4 Å²	119.4	76%	0.759	66%	0.655	S	S	*	*			trans	-53.5	116.6	156.1	-72.7	-33.2	0	0	0	104.9	L83 E87	L83-N85 PolarHBondContact O-N 3.29Å; N85-E87 VanDerWaalsContact C-N 3.26Å; N85-E87 PolarHBondContact O-N 3.18Å
86	D	31.2	Very low	36.4	Very low	157 Å²	157	117.1 Å²	117.1	84%	0.84	66%	0.662	S	S	*	*			trans	-54.1	101	166.4	-78.3	-42	0	0	0	106.6	P84 D88	P84-D86 PolarHBondContact O-N 2.78Å; P84-D86 VanDerWaalsContact O-N 3.08Å; D86-D88 PolarHBondContact O-N 3.24Å
87	E	28.8	Very low	35.1	Very low	178 Å²	178	114.9 Å²	114.9	83%	0.832	66%	0.664	S	S	*	*			trans	-62.7	95	156.9	-67.3	-132.1	145.8	0	0	105.9	N85	N85-E87 VanDerWaalsContact C-N 3.26Å; N85-E87 PolarHBondContact O-N 3.18Å
88	D	29.7	Very low	33.6	Very low	129 Å²	129	121 Å²	121	69%	0.69	69%	0.685	S	S	*	*				177.2	126.5	122.3	-84.7	-32.6	0	0	0	107.4	D86 I90	D86-D88 PolarHBondContact O-N 3.24Å; D88-I90 VanDerWaalsContact C-N 3.3Å; D88-I90 PolarHBondContact O-N 2.62Å
89	G	25.8	Very low	31.9	Very low	86 Å²	86	125.2 Å²	125.2	89%	0.887	71%	0.714	S	S	*	*			trans	-58.7	91.9	172.8	0	0	0	0	0	110.5	T91	G89-T91 PolarHBondContact O-N 3.48Å
90	I	24.9	Very low	30.4	Very low	152 Å²	152	127.5 Å²	127.5	78%	0.779	73%	0.727	S	S	*	*			trans	-94.7	98.7	168.3	-59.1	178.7	0	0	0	106.6	D88 S92	D88-I90 VanDerWaalsContact C-N 3.3Å; D88-I90 PolarHBondContact O-N 2.62Å; I90-S92 PolarHBondContact O-N 3.27Å
91	T	25.7	Very low	28.7	Very low	116 Å²	116	133.2 Å²	133.2	71%	0.712	76%	0.755	S	S	*	*			trans	-39.6	130.9	169.3	47.9	0	0	0	0	111.7	G89 S93	G89-T91 PolarHBondContact O-N 3.48Å; T91-S93 VanDerWaalsContact C-N 3.34Å; T91-S93 PolarHBondContact O-N 3.2Å
92	S	25.2	Very low	27.2	Very low	116 Å²	116	138 Å²	138	81%	0.811	77%	0.774	S	S	*	*	S	Bend	trans	-49.5	88.5	174.2	-171	0	0	0	0	111.9	I90	I90-S92 PolarHBondContact O-N 3.27Å
93	S	25.6	Very low	26	Very low	100 Å²	100	142.4 Å²	142.4	70%	0.699	79%	0.786	S	S	*	*			trans	-164.4	64.3	171.5	-72	0	0	0	0	109.5	T91	T91-S93 VanDerWaalsContact C-N 3.34Å; T91-S93 PolarHBondContact O-N 3.2Å
94	K	23.9	Very low	25.3	Very low	206 Å²	206	144.3 Å²	144.3	90%	0.896	80%	0.796	S	S	*	*			trans	153.3	61	157	-85	164.2	-178.9	179.2	0	110.7	G96	K94-G96 PolarHBondContact O-N 3.06Å
95	L	23.4	Very low	24.5	Very low	183 Å²	183	143.6 Å²	143.6	96%	0.958	80%	0.799	S	S	*	*			trans	-78.4	95.2	147.1	-101.5	96.7	0	0	0	106.5
96	G	21.5	Very low	23.9	Very low	64 Å²	64	143.9 Å²	143.9	66%	0.66	80%	0.8	S	S	*	*			trans	-168.6	85.4	-177.6	0	0	0	0	0	111.4	K94	K94-G96 PolarHBondContact O-N 3.06Å
97	A	25	Very low	23.3	Very low	96 Å²	96	144.9 Å²	144.9	79%	0.793	80%	0.801	S	S	*	*			trans	78.4	144	160.3	0	0	0	0	0	119.8
98	I	23.9	Very low	22.8	Very low	165 Å²	165	144 Å²	144	85%	0.846	80%	0.801	S	S	*	*			trans	105.8	84.8	154.8	-47.1	172.5	0	0	0	117.2
99	C	20.7	Very low	22.4	Very low	99 Å²	99	144.3 Å²	144.3	67%	0.669	81%	0.808	S	S	*	*			trans	-12.4	135.9	136	-161.4	0	0	0	0	119.6
100	K	24.4	Very low	22.6	Very low	188 Å²	188	146 Å²	146	82%	0.817	80%	0.803	S	S	*	*	S	Bend	trans	45.5	129.6	144.2	-66.2	178	-176.2	179.1	0	121
101	N	21.2	Very low	22.5	Very low	155 Å²	155	145 Å²	145	83%	0.829	81%	0.809	S	S	*	*			trans	70.1	94.9	161.8	-73	-13.4	0	0	0	117.3
102	K	22	Very low	22.4	Very low	201 Å²	201	143 Å²	143	87%	0.874	81%	0.805	S	S	*	*				-165.6	129.4	129.8	-106.2	160.8	-171.9	-178	0	111.8	I104	K102-I104 PolarHBondContact O-N 3.13Å
103	R	19.5	Very low	22.3	Very low	253 Å²	253	145.2 Å²	145.2	96%	0.955	81%	0.807	S	S	*	*			trans	-46.8	124.9	160.9	-78	173.9	170.2	156.9	-1.8	109.3
104	I	21.3	Very low	22.3	Very low	136 Å²	136	148 Å²	148	70%	0.697	81%	0.814	S	S	*	*			trans	-123.9	110.8	159.3	-61.3	-178.6	0	0	0	107.3	K102 L106	K102-I104 PolarHBondContact O-N 3.13Å; I104-L106 HydrophobicContact CG2-CB 4.4Å; I104-L106 HydrophobicContact CG2-CD1 3.43Å; I104-L106 VanDerWaalsContact CG2-CD1 3.43Å; I104-L106 HydrophobicContact CG2-CG 4.49Å
105	A	18.2	Very low	22.2	Very low	94 Å²	94	144.9 Å²	144.9	78%	0.777	81%	0.806	S	S	*	*			trans	-81.7	124.6	157.6	0	0	0	0	0	107.2
106	L	20.1	Very low	22.2	Very low	148 Å²	148	143.1 Å²	143.1	78%	0.775	80%	0.798	S	S	*	*			trans	-145.5	97.5	164	-113.4	118.3	0	0	0	105.2	I104	I104-L106 HydrophobicContact CG2-CB 4.4Å; I104-L106 HydrophobicContact CG2-CD1 3.43Å; I104-L106 VanDerWaalsContact CG2-CD1 3.43Å; I104-L106 HydrophobicContact CG2-CG 4.49Å
107	M	18.4	Very low	22.3	Very low	177 Å²	177	144.9 Å²	144.9	87%	0.872	80%	0.8	S	S	*	*				57.6	109.9	82.2	-68.5	-78.9	-95.7	0	0	112.5
108	I	19.1	Very low	22.3	Very low	160 Å²	160	149.2 Å²	149.2	82%	0.821	80%	0.804	S	S	*	*			trans	-58.8	141	176.8	-62	156.2	0	0	0	111.4
109	T	21.8	Very low	22.2	Very low	136 Å²	136	146.3 Å²	146.3	83%	0.834	80%	0.804	S	S	*	*			trans	-142.4	140.9	142.5	38	0	0	0	0	111
110	P	28.2	Very low	22.4	Very low	121 Å²	121	146.1 Å²	146.1	79%	0.786	81%	0.81	S	S	*	*			trans	-93.2	141.6	-170.3	36.1	-30.4	0	0	0	111.6
111	S	23.9	Very low	22.4	Very low	130 Å²	130	145.1 Å²	145.1	91%	0.909	81%	0.813	S	S	*	*			trans	-142.1	142.8	158.6	-161.2	0	0	0	0	111.2
112	A	22.9	Very low	22.6	Very low	76 Å²	76	144.2 Å²	144.2	63%	0.628	81%	0.812	S	S	*	*			trans	-86.1	166.7	-164	0	0	0	0	0	114.1
113	N	23.8	Very low	22.8	Very low	161 Å²	161	138.9 Å²	138.9	86%	0.861	81%	0.806	S	S	*	*			trans	78.4	124.8	170.4	-50.4	-22.2	0	0	0	113.5
114	N	25.1	Very low	22.9	Very low	158 Å²	158	134 Å²	134	85%	0.845	79%	0.794	S	S	*	*				-160.1	150.2	51.4	-158.3	-2.8	0	0	0	111.3
115	I	22.1	Very low	23	Very low	142 Å²	142	137.3 Å²	137.3	73%	0.728	80%	0.803	S	S	*	*			trans	-81.9	129	-178.9	-68.1	157.9	0	0	0	108.6
116	N	23.1	Very low	23.4	Very low	145 Å²	145	141 Å²	141	78%	0.775	80%	0.802	S	S	*	*			trans	178.3	134.6	133.8	-95.6	-20.3	0	0	0	113.2
117	S	24.8	Very low	23.6	Very low	101 Å²	101	142 Å²	142	71%	0.706	80%	0.803	S	S	*	*			trans	89.9	102.4	153	-41.4	0	0	0	0	119.7
118	Q	23.2	Very low	24.3	Very low	187 Å²	187	142.5 Å²	142.5	87%	0.874	80%	0.803	S	S	*	*				70.8	117.9	128.7	-67.1	-179.3	-5.2	0	0	120.6	A120	Q118-A120 PolarHBondContact O-N 3.43Å
119	A	23.4	Very low	24.8	Very low	104 Å²	104	140.9 Å²	140.9	86%	0.86	80%	0.801	S	S	*	*			trans	62.6	42.8	140.2	0	0	0	0	0	117.9	L121	A119-L121 PolarHBondContact O-N 3.24Å
120	A	24.1	Very low	25.5	Very low	95 Å²	95	138 Å²	138	79%	0.785	79%	0.79	S	S	*	*			trans	-86	108.8	157.2	0	0	0	0	0	108.8	Q118 V122	Q118-A120 PolarHBondContact O-N 3.43Å; A120-V122 PolarHBondContact O-N 2.93Å
121	L	24.6	Very low	26.1	Very low	168 Å²	168	136.5 Å²	136.5	88%	0.88	79%	0.788	S	S	*	*			trans	-21	117.3	162	-76.8	143.2	0	0	0	111.7	A119 A123	A119-L121 PolarHBondContact O-N 3.24Å; L121-A123 PolarHBondContact O-N 2.77Å
122	V	24.3	Very low	26.9	Very low	135 Å²	135	139.7 Å²	139.7	82%	0.818	78%	0.78	S	S	*	*			trans	-59.2	88.2	163.4	178.2	0	0	0	0	106.1	A120 E124	A120-V122 PolarHBondContact O-N 2.93Å; V122-E124 PolarHBondContact O-N 3.1Å
123	A	26.3	Very low	27.9	Very low	89 Å²	89	137 Å²	137	74%	0.736	76%	0.756	S	S	*	*			trans	-62.9	91.7	159.8	0	0	0	0	0	104.2	L121 K125	L121-A123 PolarHBondContact O-N 2.77Å; A123-K125 VanDerWaalsContact C-N 3.26Å; A123-K125 PolarHBondContact O-N 2.92Å
124	E	23.4	Very low	29	Very low	152 Å²	152	137.6 Å²	137.6	71%	0.71	75%	0.751	S	S	*	*			trans	-47.1	106.4	160.8	-80.9	-172.7	160.8	0	0	105.4	V122 K126	V122-E124 PolarHBondContact O-N 3.1Å; E124-K126 PolarHBondContact O-N 3.41Å
125	K	23.4	Very low	30.1	Very low	205 Å²	205	131.7 Å²	131.7	89%	0.891	72%	0.722	S	S	*	*			trans	-64	76.4	164.1	-132.4	180	-174	176.4	0	103.8	A123 E127	A123-K125 VanDerWaalsContact C-N 3.26Å; A123-K125 PolarHBondContact O-N 2.92Å; K125-E127 PolarHBondContact O-N 3.37Å
126	K	25.7	Very low	31.2	Very low	172 Å²	172	131.8 Å²	131.8	75%	0.748	72%	0.724	S	S	*	*			trans	-58.7	96.8	157.9	-95.6	-176.9	179.6	170.7	0	102.8	E124 Q128	E124-K126 PolarHBondContact O-N 3.41Å; K126-Q128 PolarHBondContact O-N 3.2Å
127	E	24.4	Very low	32	Very low	169 Å²	169	130.5 Å²	130.5	79%	0.79	71%	0.713	S	S	*	*			trans	-41.8	100.3	171.2	-160.7	171.2	-167.6	0	0	105	K125 T129	K125-E127 PolarHBondContact O-N 3.37Å; E127-T129 PolarHBondContact O-N 2.89Å
128	Q	32	Very low	32.5	Very low	186 Å²	186	128.5 Å²	128.5	87%	0.869	71%	0.708	S	S	*	*			trans	-58.5	96.6	172.3	-86.5	173.1	-5.2	0	0	102.6	K126 A130	K126-Q128 PolarHBondContact O-N 3.2Å; Q128-A130 PolarHBondContact O-N 3.39Å
129	T	31.3	Very low	33.7	Very low	127 Å²	127	126.1 Å²	126.1	78%	0.779	71%	0.712	S	S	*	*			trans	-58.1	94.2	172	35.8	0	0	0	0	104	E127 A131	E127-T129 PolarHBondContact O-N 2.89Å; T129-A131 PolarHBondContact O-N 3.12Å
130	A	36.7	Very low	34.4	Very low	75 Å²	75	124.5 Å²	124.5	62%	0.62	70%	0.695	S	S	*	*			trans	-46.1	114.4	-170.6	0	0	0	0	0	106.9	Q128 R132	Q128-A130 PolarHBondContact O-N 3.39Å; A130-R132 VanDerWaalsContact C-N 3.3Å; A130-R132 VanDerWaalsContact O-CG 3.28Å; A130-R132 WeakPolarHBondContact O-CG 3.44Å; A130-R132 PolarHBondContact O-N 3.4Å
131	A	40.4	Very low	35.5	Very low	90 Å²	90	131.4 Å²	131.4	74%	0.744	70%	0.701	S	S	*	*			trans	-53.5	93.9	-169.9	0	0	0	0	0	109.8	T129	T129-A131 PolarHBondContact O-N 3.12Å
132	R	40.2	Very low	36.4	Very low	197 Å²	197	132 Å²	132	74%	0.743	70%	0.696	S	S	*	*			trans	-72.6	131.7	178.8	-62.8	-177.3	176.1	169	-1.3	105.8	A130 K134	A130-R132 VanDerWaalsContact C-N 3.3Å; A130-R132 VanDerWaalsContact O-CG 3.28Å; A130-R132 WeakPolarHBondContact O-CG 3.44Å; A130-R132 PolarHBondContact O-N 3.4Å; R132-K134 PolarHBondContact O-N 2.96Å
133	C	43.4	Very low	37.5	Very low	18 Å²	18	134.5 Å²	134.5	12%	0.122	69%	0.691	C	S	.	*			trans	-60	132.4	164.7	83.3	0	0	0	0	107.3	C135 R153	C133-C135 HydrophobicContact CB-CB 4.43Å; C133-C135 WeakPolarHBondContact CB-SG 3.25Å; C133-C135 PolarHBondContact O-N 3.27Å; C133-C135 WeakPolarHBondContact SG-CB 3.22Å; C133-C135 CovalentContact SG-SG 2.06Å; C133-C135 PolarHBondContact SG-SG 3.46Å; C133-R153 HydrophobicContact CB-CG 3.78Å
134	K	46.8	Very low	38.5	Very low	174 Å²	174	132.4 Å²	132.4	76%	0.757	67%	0.67	S	S	*	*			trans	-76.2	26.7	175.3	-67.8	-173.5	179	-176.2	0	111.6	R132 N136 T171	R132-K134 PolarHBondContact O-N 2.96Å; K134-N136 PolarHBondContact O-N 3.44Å; K134-T171 HydrophobicContact CB-CG2 3.78Å; K134-T171 WeakPolarHBondContact O-CG2 3.41Å
135	C	48.7	Very low	39.7	Very low	35 Å²	35	132.4 Å²	132.4	24%	0.236	67%	0.674	C	S	.	*			trans	-57.8	107.8	179.4	-50	0	0	0	0	108.5	C133 H137	C133-C135 HydrophobicContact CB-CB 4.43Å; C133-C135 WeakPolarHBondContact CB-SG 3.25Å; C133-C135 PolarHBondContact O-N 3.27Å; C133-C135 WeakPolarHBondContact SG-CB 3.22Å; C133-C135 CovalentContact SG-SG 2.06Å; C133-C135 PolarHBondContact SG-SG 3.46Å; C135-H137 PolarHBondContact O-N 2.74Å
136	N	44.8	Very low	40.8	Very low	143 Å²	143	127.3 Å²	127.3	77%	0.765	65%	0.653	S	S	*	*			trans	-92.1	84.5	-168.4	-144.8	20.3	0	0	0	107.7	K134	K134-N136 PolarHBondContact O-N 3.44Å
137	H	39.8	Very low	41.9	Very low	119 Å²	119	123 Å²	123	55%	0.551	65%	0.645	S	S	*	*			trans	-88.2	115.8	159.1	-109.2	-68.5	0	0	0	107.9	C135 S139 S169	C135-H137 PolarHBondContact O-N 2.74Å; H137-S139 PolarHBondContact O-N 3.19Å; H137-S169 PolarHBondContact NE2-OG 3.27Å
138	G	35.1	Very low	43	Very low	58 Å²	58	117.1 Å²	117.1	60%	0.598	63%	0.629	S	S	*	*			trans	-48.1	133.5	167.7	0	0	0	0	0	111.1	S140	G138-S140 VanDerWaalsContact C-N 3.26Å; G138-S140 PolarHBondContact O-N 2.94Å
139	S	48.2	Very low	43.9	Very low	137 Å²	137	115.1 Å²	115.1	96%	0.958	62%	0.618	S	S	*	*	S	Bend	trans	55.5	-6.9	156.8	155	0	0	0	0	121.1	H137	H137-S139 PolarHBondContact O-N 3.19Å
140	S	39.8	Very low	44.9	Very low	70 Å²	70	109.6 Å²	109.6	49%	0.49	58%	0.584	S	S	.	*	S	Bend	trans	-124.3	136.2	-178.8	70.6	0	0	0	0	113.9	G138 K142	G138-S140 VanDerWaalsContact C-N 3.26Å; G138-S140 PolarHBondContact O-N 2.94Å; S140-K142 PolarHBondContact O-N 3.03Å
141	R	46.5	Very low	45.8	Very low	241 Å²	241	109 Å²	109	91%	0.909	57%	0.569	S	S	*	*	S	Bend	trans	-54.1	7.6	-170.9	-97.1	172.7	173.5	162.2	-3.3	117.6	R143	R141-R143 PolarHBondContact O-N 2.98Å
142	K	43.1	Very low	46.3	Very low	180 Å²	180	104.8 Å²	104.8	78%	0.783	53%	0.533	S	S	*	.			trans	-84.7	59.7	175.8	-64.4	-174.3	-177.4	177.2	0	111.5	S140	S140-K142 PolarHBondContact O-N 3.03Å
143	R	47.9	Very low	46.9	Very low	187 Å²	187	98.2 Å²	98.2	71%	0.706	51%	0.508	S	S	*	.			trans	-60.8	146.8	160.8	-73.9	-177.7	-76.7	-166.2	-2.8	107.9	R141 I145	R141-R143 PolarHBondContact O-N 2.98Å; R143-I145 WeakPolarHBondContact O-CG1 3.34Å; R143-I145 PolarHBondContact O-N 3.5Å
144	C	47.6	Very low	47.3	Very low	45 Å²	45	102.1 Å²	102.1	30%	0.304	52%	0.521	S	S	.	.			trans	-56.5	100.8	175	-164.9	0	0	0	0	109.2	Q146	C144-Q146 VanDerWaalsContact C-N 3.3Å; C144-Q146 PolarHBondContact O-N 2.04Å
145	I	48.8	Very low	47.5	Very low	153 Å²	153	95.3 Å²	95.3	79%	0.785	50%	0.497	S	S	*	.	S	Bend	trans	-69.5	-31.2	-161.8	-57.9	175.8	0	0	0	110.8	R143	R143-I145 WeakPolarHBondContact O-CG1 3.34Å; R143-I145 PolarHBondContact O-N 3.5Å
146	Q	46.3	Very low	47.7	Very low	97 Å²	97	94 Å²	94	45%	0.453	49%	0.487	S	S	.	.			trans	-102	88.4	176.5	-83.8	168.6	-9.4	0	0	110.1	C144 G148 K149	C144-Q146 VanDerWaalsContact C-N 3.3Å; C144-Q146 PolarHBondContact O-N 2.04Å; Q146-G148 PolarHBondContact O-N 3.44Å; Q146-G148 VanDerWaalsContact O-N 3.08Å; Q146-K149 HydrophobicContact CB-CB 4.15Å; Q146-K149 HydrophobicContact CB-CD 4.44Å; Q146-K149 HydrophobicContact CB-CG 4.15Å; Q146-K149 PolarHBondContact O-N 3.22Å; Q146-K149 VanDerWaalsContact O-N 3.07Å; Q146-K149 VanDerWaalsContact OE1-CE 3.26Å
147	S	47.1	Very low	48.1	Very low	83 Å²	83	91.4 Å²	91.4	58%	0.58	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-34.9	174.4	51.3	0	0	0	0	113.5	R153	S147-R153 VanDerWaalsContact CA-NH1 3.3Å; S147-R153 VanDerWaalsContact CB-NH1 3.34Å; S147-R153 WeakPolarHBondContact O-CD 3.29Å
148	G	48.9	Very low	48.7	Very low	45 Å²	45	87.7 Å²	87.7	46%	0.464	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-22	-178.8	0	0	0	0	0	115.7	Q146 R154	Q146-G148 PolarHBondContact O-N 3.44Å; Q146-G148 VanDerWaalsContact O-N 3.08Å; G148-R154 VanDerWaalsContact O-CZ 3.26Å; G148-R154 PolarHBondContact O-NE 3.15Å; G148-R154 VanDerWaalsContact O-NE 3.12Å; G148-R154 PolarHBondContact O-NH2 3.5Å
149	K	50.7	Low	49.6	Very low	144 Å²	144	85.5 Å²	85.5	63%	0.626	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-9.1	-168.5	-64.2	-165.5	-166.3	165.3	0	115.8	Q146 E151	Q146-K149 HydrophobicContact CB-CB 4.15Å; Q146-K149 HydrophobicContact CB-CD 4.44Å; Q146-K149 HydrophobicContact CB-CG 4.15Å; Q146-K149 PolarHBondContact O-N 3.22Å; Q146-K149 VanDerWaalsContact O-N 3.07Å; Q146-K149 VanDerWaalsContact OE1-CE 3.26Å; K149-E151 PolarHBondContact O-N 2.66Å
150	C	52.5	Low	49.8	Very low	10 Å²	10	80.7 Å²	80.7	7%	0.068	40%	0.396	C	S	.	.			trans	-79.3	115.8	-179.3	-176	0	0	0	0	110.4	C152 R153 C164	C150-C152 PolarHBondContact O-N 3.32Å; C150-R153 HydrophobicContact CB-CB 4.47Å; C150-R153 HydrophobicContact CB-CG 4.11Å; C150-R153 PolarHBondContact O-N 2.04Å; C150-R153 VanDerWaalsContact O-N 3.08Å; C150-C164 VanDerWaalsContact SG-SG 3.61Å
151	E	54.2	Low	50.4	Low	64 Å²	64	83.3 Å²	83.3	30%	0.299	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-54.5	-41.9	177.5	-67.5	-177.1	171.5	0	0	111.8	K149 R153 R154 S160 L163 F245	K149-E151 PolarHBondContact O-N 2.66Å; E151-R153 PolarHBondContact O-N 2.7Å; E151-R154 PolarHBondContact O-N 2.76Å; E151-S160 PolarHBondContact OE2-OG 2.69Å; E151-L163 WeakPolarHBondContact OE1-CD1 3.15Å; E151-L163 VanDerWaalsContact OE2-CB 3.3Å; E151-L163 WeakPolarHBondContact OE2-CB 3.34Å; E151-L163 VanDerWaalsContact OE2-CD1 3.28Å; E151-L163 WeakPolarHBondContact OE2-CD1 2.96Å; E151-F245 HydrophobicContact CG-CE1 4.33Å
152	C	51	Low	50.7	Low	0 Å²	0	80.7 Å²	80.7	0%	0	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-61.3	-18.7	-178.6	-38.6	0	0	0	0	113.3	C150 K157 V158 C159 C164 C170 N172	C150-C152 PolarHBondContact O-N 3.32Å; C152-K157 WeakPolarHBondContact O-CA 3.37Å; C152-V158 WeakPolarHBondContact CA-O 3.41Å; C152-C159 HydrophobicContact CB-CB 3.52Å; C152-C159 WeakPolarHBondContact CB-SG 3.19Å; C152-C159 WeakPolarHBondContact SG-CA 3.47Å; C152-C159 WeakPolarHBondContact SG-CB 3.36Å; C152-C159 CovalentContact SG-SG 2.04Å; C152-C159 PolarHBondContact SG-SG 2.92Å; C152-C164 WeakPolarHBondContact SG-CB 3.15Å; C152-C164 PolarHBondContact SG-SG 3.02Å; C152-C170 VanDerWaalsContact CB-SG 3.53Å; C152-N172 HydrophobicContact CB-CB 4Å; C152-N172 PolarHBondContact O-ND2 2.84Å
153	R	53.2	Low	51.1	Low	59 Å²	59	77.6 Å²	77.6	22%	0.223	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-81.8	-20.1	178.2	-77	-175.1	-179	-156.5	6.3	114.1	C133 S147 C150 E151	C133-R153 HydrophobicContact CB-CG 3.78Å; S147-R153 VanDerWaalsContact CA-NH1 3.3Å; S147-R153 VanDerWaalsContact CB-NH1 3.34Å; S147-R153 WeakPolarHBondContact O-CD 3.29Å; C150-R153 HydrophobicContact CB-CB 4.47Å; C150-R153 HydrophobicContact CB-CG 4.11Å; C150-R153 PolarHBondContact O-N 2.04Å; C150-R153 VanDerWaalsContact O-N 3.08Å; E151-R153 PolarHBondContact O-N 2.7Å
154	R	52.5	Low	51.5	Low	101 Å²	101	68.9 Å²	68.9	38%	0.381	36%	0.356	S	S	.	.	S	Bend	trans	-91.4	170.4	-170.5	-50.9	-162.8	-169.2	153.1	-11.4	110	G148 E151 K157 F245	G148-R154 VanDerWaalsContact O-CZ 3.26Å; G148-R154 PolarHBondContact O-NE 3.15Å; G148-R154 VanDerWaalsContact O-NE 3.12Å; G148-R154 PolarHBondContact O-NH2 3.5Å; E151-R154 PolarHBondContact O-N 2.76Å; R154-K157 PolarHBondContact O-N 3.24Å; R154-F245 HydrophobicContact CB-CE2 3.46Å; R154-F245 VanDerWaalsContact CB-CE2 3.46Å; R154-F245 HydrophobicContact CB-CZ 3.43Å; R154-F245 VanDerWaalsContact CB-CZ 3.43Å; R154-F245 HydrophobicContact CG-CE2 4.37Å; R154-F245 HydrophobicContact CG-CZ 3.92Å
155	A	50.7	Low	51.9	Low	31 Å²	31	77.2 Å²	77.2	26%	0.256	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-44	139.6	-166.8	0	0	0	0	0	113.6	K157 D240 A241	A155-K157 VanDerWaalsContact C-N 3.25Å; A155-K157 PolarHBondContact O-N 2.06Å; A155-D240 HydrophobicContact CB-CB 4.35Å; A155-A241 HydrophobicContact CB-CB 3.74Å
156	F	52.5	Low	52.1	Low	8 Å²	8	71 Å²	71	4%	0.035	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	71.9	-8.1	-166.7	-62.7	-90.3	0	0	0	117.6	V158 L208 F219 Q237 L238 A241	F156-V158 HydrophobicContact CB-CG2 3.81Å; F156-V158 PolarHBondContact O-N 2.99Å; F156-V158 VanDerWaalsContact O-N 3.09Å; F156-L208 HydrophobicContact CD1-CD1 3.68Å; F156-L208 HydrophobicContact CE1-CD1 3.56Å; F156-L208 HydrophobicContact CG-CD1 4.27Å; F156-L208 HydrophobicContact CZ-CD1 4.11Å; F156-F219 AromaticContact CE1-CZ 4Å; F156-F219 HydrophobicContact CE1-CZ 4Å; F156-F219 HydrophobicContact CZ-CZ 4.36Å; F156-Q237 VanDerWaalsContact CE2-O 3.29Å; F156-Q237 WeakPolarHBondContact CE2-O 3.4Å; F156-L238 HydrophobicContact CE2-CB 4.26Å; F156-L238 HydrophobicContact CE2-CD1 3.79Å; F156-L238 HydrophobicContact CZ-CB 3.88Å; F156-L238 HydrophobicContact CZ-CD1 3.62Å; F156-L238 HydrophobicContact CZ-CG 4.3Å; F156-A241 HydrophobicContact CD2-CB 3.27Å; F156-A241 HydrophobicContact CE2-CB 3.35Å
157	K	54.1	Low	52.3	Low	88 Å²	88	72.6 Å²	72.6	38%	0.383	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	54	31	176.3	-62.6	175.8	177.8	179.7	0	111.6	C152 R154 A155 C159 N172 Q177	C152-K157 WeakPolarHBondContact O-CA 3.37Å; R154-K157 PolarHBondContact O-N 3.24Å; A155-K157 VanDerWaalsContact C-N 3.25Å; A155-K157 PolarHBondContact O-N 2.06Å; K157-C159 PolarHBondContact O-N 2.67Å; K157-N172 HydrophobicContact CB-CB 3.94Å; K157-N172 VanDerWaalsContact O-CB 3.3Å; K157-N172 WeakPolarHBondContact O-CB 3.38Å; K157-Q177 PolarHBondContact O-NE2 3.26Å
158	V	52.8	Low	52.3	Low	41 Å²	41	72 Å²	72	25%	0.248	36%	0.358	C	S	.	.			trans	-76.8	122.5	179	179.9	0	0	0	0	107.9	C152 F156 Y215	C152-V158 WeakPolarHBondContact CA-O 3.41Å; F156-V158 HydrophobicContact CB-CG2 3.81Å; F156-V158 PolarHBondContact O-N 2.99Å; F156-V158 VanDerWaalsContact O-N 3.09Å; V158-Y215 HydrophobicContact CB-CE1 4.38Å; V158-Y215 HydrophobicContact CG1-CD1 3.95Å; V158-Y215 HydrophobicContact CG1-CE1 3.35Å; V158-Y215 HydrophobicContact CG1-CE2 4.33Å; V158-Y215 HydrophobicContact CG2-CD1 3.88Å; V158-Y215 HydrophobicContact CG2-CE1 4.16Å; V158-Y215 HydrophobicContact CG2-CG 4.08Å
159	C	54.3	Low	52.3	Low	11 Å²	11	71.2 Å²	71.2	7%	0.074	35%	0.345	C	S	.	.			trans	-108.9	111.9	-180	-157.4	0	0	0	0	110.5	C152 K157 C164 C170 N172	C152-C159 HydrophobicContact CB-CB 3.52Å; C152-C159 WeakPolarHBondContact CB-SG 3.19Å; C152-C159 WeakPolarHBondContact SG-CA 3.47Å; C152-C159 WeakPolarHBondContact SG-CB 3.36Å; C152-C159 CovalentContact SG-SG 2.04Å; C152-C159 PolarHBondContact SG-SG 2.92Å; K157-C159 PolarHBondContact O-N 2.67Å; C159-C164 VanDerWaalsContact SG-CB 3.52Å; C159-C170 VanDerWaalsContact SG-CB 3.6Å; C159-C170 PolarHBondContact SG-SG 3.29Å; C159-N172 HydrophobicContact CB-CB 4.4Å; C159-N172 WeakPolarHBondContact CB-O 3.34Å
160	S	50.5	Low	52.3	Low	36 Å²	36	64.4 Å²	64.4	25%	0.252	32%	0.316	S	S	.	.			trans	-79.5	127.7	170.6	72.9	0	0	0	0	109.4	E151 Q162 L163 C164	E151-S160 PolarHBondContact OE2-OG 2.69Å; S160-Q162 PolarHBondContact O-N 2.68Å; S160-L163 PolarHBondContact O-N 3.23Å; S160-L163 WeakPolarHBondContact OG-CB 3.13Å; S160-L163 PolarHBondContact OG-N 2.93Å; S160-L163 VanDerWaalsContact OG-N 3.14Å; S160-C164 WeakPolarHBondContact O-CB 3.39Å; S160-C164 PolarHBondContact O-N 3.27Å
161	K	52.7	Low	52.2	Low	126 Å²	126	65.7 Å²	65.7	55%	0.548	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.3	173.4	-75.3	-178.4	177.8	175.9	0	111.6	E175	K161-E175 IonicContact NZ-OE1 3.24Å; K161-E175 PolarHBondContact NZ-OE1 2.74Å
162	Q	53.4	Low	51.7	Low	186 Å²	186	63.3 Å²	63.3	87%	0.869	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-36.2	-177	-67.7	175.3	-6.4	0	0	113.7	S160	S160-Q162 PolarHBondContact O-N 2.68Å
163	L	52.6	Low	51.6	Low	114 Å²	114	63.6 Å²	63.6	60%	0.597	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-19.8	-174.6	-55.8	156.4	0	0	0	112.8	E151 S160 R165	E151-L163 WeakPolarHBondContact OE1-CD1 3.15Å; E151-L163 VanDerWaalsContact OE2-CB 3.3Å; E151-L163 WeakPolarHBondContact OE2-CB 3.34Å; E151-L163 VanDerWaalsContact OE2-CD1 3.28Å; E151-L163 WeakPolarHBondContact OE2-CD1 2.96Å; S160-L163 PolarHBondContact O-N 3.23Å; S160-L163 WeakPolarHBondContact OG-CB 3.13Å; S160-L163 PolarHBondContact OG-N 2.93Å; S160-L163 VanDerWaalsContact OG-N 3.14Å; L163-R165 PolarHBondContact O-N 3.43Å
164	C	55.7	Low	51.4	Low	5 Å²	5	65.2 Å²	65.2	3%	0.034	33%	0.325	C	S	.	.			trans	-76.6	117.3	174.2	-161	0	0	0	0	112.8	C150 C152 C159 S160 C166	C150-C164 VanDerWaalsContact SG-SG 3.61Å; C152-C164 WeakPolarHBondContact SG-CB 3.15Å; C152-C164 PolarHBondContact SG-SG 3.02Å; C159-C164 VanDerWaalsContact SG-CB 3.52Å; S160-C164 WeakPolarHBondContact O-CB 3.39Å; S160-C164 PolarHBondContact O-N 3.27Å; C164-C166 HydrophobicContact CB-CB 4.47Å; C164-C166 WeakPolarHBondContact CB-SG 3.28Å; C164-C166 PolarHBondContact O-N 3.25Å; C164-C166 WeakPolarHBondContact SG-CB 3.11Å; C164-C166 PolarHBondContact SG-N 3.05Å; C164-C166 CovalentContact SG-SG 2.04Å; C164-C166 PolarHBondContact SG-SG 3.24Å
165	R	56.2	Low	50.9	Low	220 Å²	220	65.2 Å²	65.2	83%	0.83	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-3	167.8	-66.8	-173.5	177	-173.8	-2.8	115.1	L163	L163-R165 PolarHBondContact O-N 3.43Å
166	C	53.5	Low	50.4	Low	21 Å²	21	66.9 Å²	66.9	14%	0.142	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	6	-173.3	63.1	0	0	0	0	114.6	C164 S169 C170	C164-C166 HydrophobicContact CB-CB 4.47Å; C164-C166 WeakPolarHBondContact CB-SG 3.28Å; C164-C166 PolarHBondContact O-N 3.25Å; C164-C166 WeakPolarHBondContact SG-CB 3.11Å; C164-C166 PolarHBondContact SG-N 3.05Å; C164-C166 CovalentContact SG-SG 2.04Å; C164-C166 PolarHBondContact SG-SG 3.24Å; C166-S169 PolarHBondContact O-N 2.92Å; C166-C170 HydrophobicContact CB-CB 4.47Å; C166-C170 WeakPolarHBondContact SG-CB 3.45Å
167	H	49	Very low	49.9	Very low	132 Å²	132	68.6 Å²	68.6	61%	0.611	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	11.8	111.9	174.1	-62.4	-77.3	0	0	0	115.6	S169	H167-S169 PolarHBondContact O-N 3.49Å; H167-S169 PolarHBondContact O-OG 3.4Å
168	A	48.2	Very low	49.3	Very low	70 Å²	70	71.1 Å²	71.1	58%	0.579	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-22.9	178.2	0	0	0	0	0	117.7	N173	A168-N173 PolarHBondContact O-ND2 3.45Å
169	S	47.8	Very low	48.4	Very low	28 Å²	28	73.1 Å²	73.1	20%	0.196	36%	0.363	C	S	.	.			trans	-95.3	5.5	-170	-41.6	0	0	0	0	113.9	H137 C166 H167 T171	H137-S169 PolarHBondContact NE2-OG 3.27Å; C166-S169 PolarHBondContact O-N 2.92Å; H167-S169 PolarHBondContact O-N 3.49Å; H167-S169 PolarHBondContact O-OG 3.4Å; S169-T171 PolarHBondContact O-N 3.15Å
170	C	51.1	Low	47.4	Very low	1 Å²	1	80.6 Å²	80.6	1%	0.007	39%	0.394	C	S	.	.			trans	-74.6	127.9	-177.2	-156.9	0	0	0	0	110.3	C152 C159 C166 N172 N173 H176	C152-C170 VanDerWaalsContact CB-SG 3.53Å; C159-C170 VanDerWaalsContact SG-CB 3.6Å; C159-C170 PolarHBondContact SG-SG 3.29Å; C166-C170 HydrophobicContact CB-CB 4.47Å; C166-C170 WeakPolarHBondContact SG-CB 3.45Å; C170-N172 PolarHBondContact O-N 3.23Å; C170-N173 HydrophobicContact CB-CB 4.06Å; C170-N173 WeakPolarHBondContact O-CB 3.33Å; C170-N173 PolarHBondContact O-N 3.31Å; C170-H176 WeakPolarHBondContact O-CB 3.4Å; C170-H176 PolarHBondContact O-ND1 2.88Å
171	T	49.7	Very low	46.8	Very low	37 Å²	37	81.1 Å²	81.1	23%	0.227	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-10	170.4	51.1	0	0	0	0	113.6	K134 S169	K134-T171 HydrophobicContact CB-CG2 3.78Å; K134-T171 WeakPolarHBondContact O-CG2 3.41Å; S169-T171 PolarHBondContact O-N 3.15Å
172	N	45.3	Very low	46.4	Very low	14 Å²	14	77.8 Å²	77.8	8%	0.075	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	1.9	-179.9	-63.4	-11.1	0	0	0	111.4	C152 K157 C159 C170 Q177	C152-N172 HydrophobicContact CB-CB 4Å; C152-N172 PolarHBondContact O-ND2 2.84Å; K157-N172 HydrophobicContact CB-CB 3.94Å; K157-N172 VanDerWaalsContact O-CB 3.3Å; K157-N172 WeakPolarHBondContact O-CB 3.38Å; C159-N172 HydrophobicContact CB-CB 4.4Å; C159-N172 WeakPolarHBondContact CB-O 3.34Å; C170-N172 PolarHBondContact O-N 3.23Å; N172-Q177 PolarHBondContact O-NE2 2.08Å
173	N	48.5	Very low	45.8	Very low	6 Å²	6	70.8 Å²	70.8	3%	0.032	37%	0.366	C	S	.	.	S	Bend	trans	-59.5	142.9	166.6	-175.8	10.3	0	0	0	108.7	A168 C170 E175 H176 Q177	A168-N173 PolarHBondContact O-ND2 3.45Å; C170-N173 HydrophobicContact CB-CB 4.06Å; C170-N173 WeakPolarHBondContact O-CB 3.33Å; C170-N173 PolarHBondContact O-N 3.31Å; N173-E175 PolarHBondContact ND2-OE2 2.9Å; N173-E175 PolarHBondContact O-N 2.99Å; N173-H176 HydrophobicContact CB-CB 4.39Å; N173-H176 CarbonylContact O-C 3.57Å; N173-H176 PolarHBondContact O-N 3.48Å; N173-Q177 PolarHBondContact O-N 3.47Å
174	E	48	Very low	45.2	Very low	94 Å²	94	72.4 Å²	72.4	44%	0.439	37%	0.368	S	S	.	.	H	α-helix	trans	-47.5	-47	176.2	-71.8	173	172.7	0	0	111	H176 Q177 M178 Y215	E174-H176 VanDerWaalsContact C-N 3.35Å; E174-H176 PolarHBondContact O-N 3.48Å; E174-Q177 PolarHBondContact O-N 2.92Å; E174-M178 WeakPolarHBondContact O-CG 3.29Å; E174-M178 PolarHBondContact O-N 3.35Å; E174-M178 VanDerWaalsContact O-N 3.11Å; E174-Y215 WeakPolarHBondContact OE1-CE1 3.39Å
175	E	42.6	Very low	44.9	Very low	101 Å²	101	77.2 Å²	77.2	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-60.4	-36.3	176.9	-70.6	160.7	-157	0	0	113.5	K161 N173 I179	K161-E175 IonicContact NZ-OE1 3.24Å; K161-E175 PolarHBondContact NZ-OE1 2.74Å; N173-E175 PolarHBondContact ND2-OE2 2.9Å; N173-E175 PolarHBondContact O-N 2.99Å; E175-I179 VanDerWaalsContact O-CD1 3.26Å; E175-I179 WeakPolarHBondContact O-CD1 3.49Å; E175-I179 VanDerWaalsContact O-CG1 3.23Å; E175-I179 WeakPolarHBondContact O-CG1 3.33Å
176	H	39.7	Very low	45.1	Very low	65 Å²	65	68 Å²	68	30%	0.301	36%	0.358	S	S	.	.	H	α-helix	trans	-86.8	-23.7	178.7	-83.5	167.8	0	0	0	113.8	C170 N173 E174 M178 I179 K180	C170-H176 WeakPolarHBondContact O-CB 3.4Å; C170-H176 PolarHBondContact O-ND1 2.88Å; N173-H176 HydrophobicContact CB-CB 4.39Å; N173-H176 CarbonylContact O-C 3.57Å; N173-H176 PolarHBondContact O-N 3.48Å; E174-H176 VanDerWaalsContact C-N 3.35Å; E174-H176 PolarHBondContact O-N 3.48Å; H176-M178 VanDerWaalsContact C-N 3.25Å; H176-I179 PolarHBondContact O-N 3.45Å; H176-I179 VanDerWaalsContact O-N 3.16Å; H176-K180 PolarHBondContact O-N 3.4Å
177	Q	42.3	Very low	45.8	Very low	45 Å²	45	70.1 Å²	70.1	21%	0.21	37%	0.368	C	S	.	.	I	π-helix	trans	-64.8	-35.3	168	-69.1	-160.5	17.1	0	0	110.3	K157 N172 N173 E174 I179 S182	K157-Q177 PolarHBondContact O-NE2 3.26Å; N172-Q177 PolarHBondContact O-NE2 2.08Å; N173-Q177 PolarHBondContact O-N 3.47Å; E174-Q177 PolarHBondContact O-N 2.92Å; Q177-I179 VanDerWaalsContact C-N 3.25Å; Q177-I179 PolarHBondContact O-N 2.8Å; Q177-S182 WeakPolarHBondContact O-CB 3.41Å
178	M	40.6	Very low	46.9	Very low	140 Å²	140	66.9 Å²	66.9	69%	0.69	35%	0.354	S	S	*	.	I	π-helix	trans	-61.2	-32.8	170.5	-61.8	-162.7	87.5	0	0	112.7	E174 H176	E174-M178 WeakPolarHBondContact O-CG 3.29Å; E174-M178 PolarHBondContact O-N 3.35Å; E174-M178 VanDerWaalsContact O-N 3.11Å; H176-M178 VanDerWaalsContact C-N 3.25Å
179	I	35	Very low	48	Very low	84 Å²	84	63.7 Å²	63.7	43%	0.431	33%	0.328	S	S	.	.	I	π-helix	trans	-104.5	-31.2	-163.8	-55	166.7	0	0	0	115.4	E175 H176 Q177 L183	E175-I179 VanDerWaalsContact O-CD1 3.26Å; E175-I179 WeakPolarHBondContact O-CD1 3.49Å; E175-I179 VanDerWaalsContact O-CG1 3.23Å; E175-I179 WeakPolarHBondContact O-CG1 3.33Å; H176-I179 PolarHBondContact O-N 3.45Å; H176-I179 VanDerWaalsContact O-N 3.16Å; Q177-I179 VanDerWaalsContact C-N 3.25Å; Q177-I179 PolarHBondContact O-N 2.8Å; I179-L183 WeakPolarHBondContact O-CD1 3.44Å
180	K	33.4	Very low	49.4	Very low	167 Å²	167	66.5 Å²	66.5	73%	0.726	33%	0.334	S	S	*	.	I	π-helix	trans	-142.6	-31.3	-170.4	-65	-170.9	177.8	175.9	0	118.2	H176	H176-K180 PolarHBondContact O-N 3.4Å
181	G	37.1	Very low	50.9	Low	48 Å²	48	73.4 Å²	73.4	50%	0.495	36%	0.364	S	S	.	.	I	π-helix	trans	-86.5	-27.3	-178.8	0	0	0	0	0	113.5
182	S	45.4	Very low	52.6	Low	55 Å²	55	73.2 Å²	73.2	39%	0.385	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-45.8	175.3	-176.9	0	0	0	0	111	Q177 F184 Y185 A186	Q177-S182 WeakPolarHBondContact O-CB 3.41Å; S182-F184 PolarHBondContact O-N 2.9Å; S182-Y185 CarbonylContact O-C 3.57Å; S182-Y185 PolarHBondContact O-N 2.65Å; S182-Y185 VanDerWaalsContact O-N 3.1Å; S182-A186 WeakPolarHBondContact O-CA 3.44Å; S182-A186 WeakPolarHBondContact O-CB 3.48Å; S182-A186 PolarHBondContact O-N 3.38Å
183	L	40	Very low	54.6	Low	40 Å²	40	72.7 Å²	72.7	21%	0.209	36%	0.358	C	S	.	.	H	α-helix	trans	-47.2	-50.7	-171.8	-75.1	173.2	0	0	0	115.8	I179 Y185 A186 D187 D350	I179-L183 WeakPolarHBondContact O-CD1 3.44Å; L183-Y185 PolarHBondContact O-N 2.66Å; L183-A186 CarbonylContact O-C 3.38Å; L183-A186 WeakPolarHBondContact O-CB 3.29Å; L183-A186 PolarHBondContact O-N 2.95Å; L183-D187 WeakPolarHBondContact O-CB 3.34Å; L183-D187 PolarHBondContact O-N 3.48Å; L183-D350 WeakPolarHBondContact CD1-OD2 3.47Å; L183-D350 HydrophobicContact CD2-CB 4.26Å; L183-D350 VanDerWaalsContact CD2-OD2 3.24Å; L183-D350 WeakPolarHBondContact CD2-OD2 3.36Å
184	F	39.6	Very low	56.4	Low	147 Å²	147	74.1 Å²	74.1	65%	0.645	37%	0.366	S	S	*	.	H	α-helix	trans	-65.9	-38.5	-176.3	-170.6	-95.9	0	0	0	113.1	S182 I188	S182-F184 PolarHBondContact O-N 2.9Å; F184-I188 HydrophobicContact CD1-CD1 4.15Å; F184-I188 HydrophobicContact CE1-CD1 3.68Å; F184-I188 HydrophobicContact CZ-CD1 4.17Å; F184-I188 WeakPolarHBondContact O-CG1 3.48Å; F184-I188 PolarHBondContact O-N 3.06Å
185	Y	50.3	Low	57.9	Low	106 Å²	106	76.3 Å²	76.3	42%	0.416	38%	0.376	S	S	.	.	H	α-helix	trans	-79.7	-29.5	173.9	-73.6	-68.5	0	0	0	111.7	S182 L183 D187 A189 V220	S182-Y185 CarbonylContact O-C 3.57Å; S182-Y185 PolarHBondContact O-N 2.65Å; S182-Y185 VanDerWaalsContact O-N 3.1Å; L183-Y185 PolarHBondContact O-N 2.66Å; Y185-D187 VanDerWaalsContact C-N 3.35Å; Y185-A189 WeakPolarHBondContact O-CB 3.22Å; Y185-A189 PolarHBondContact O-N 2.97Å; Y185-V220 HydrophobicContact CD1-CB 3.8Å; Y185-V220 HydrophobicContact CD1-CG2 3.78Å; Y185-V220 HydrophobicContact CE1-CB 4.23Å
186	A	60.2	Low	59.6	Low	28 Å²	28	72.1 Å²	72.1	23%	0.231	36%	0.357	C	S	.	.	H	α-helix	trans	-65.5	-38.8	174.4	0	0	0	0	0	110.3	S182 L183 R190	S182-A186 WeakPolarHBondContact O-CA 3.44Å; S182-A186 WeakPolarHBondContact O-CB 3.48Å; S182-A186 PolarHBondContact O-N 3.38Å; L183-A186 CarbonylContact O-C 3.38Å; L183-A186 WeakPolarHBondContact O-CB 3.29Å; L183-A186 PolarHBondContact O-N 2.95Å; A186-R190 WeakPolarHBondContact O-CA 3.23Å; A186-R190 WeakPolarHBondContact O-CB 3.4Å; A186-R190 PolarHBondContact O-N 2.89Å
187	D	69	Low	61.3	Low	65 Å²	65	76.3 Å²	76.3	35%	0.348	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-44.9	176.6	-82.5	-36.4	0	0	0	112.4	L183 Y185 R190 K191	L183-D187 WeakPolarHBondContact O-CB 3.34Å; L183-D187 PolarHBondContact O-N 3.48Å; Y185-D187 VanDerWaalsContact C-N 3.35Å; D187-R190 PolarHBondContact O-N 2.82Å; D187-R190 IonicContact OD1-CZ 3.1Å; D187-R190 IonicContact OD1-NE 3.27Å; D187-R190 PolarHBondContact OD1-NE 3.12Å; D187-R190 IonicContact OD1-NH2 2.57Å; D187-R190 PolarHBondContact OD1-NH2 3.45Å; D187-K191 WeakPolarHBondContact O-CB 3.28Å; D187-K191 PolarHBondContact O-N 3.4Å
188	I	71.6	Confident	62.7	Low	64 Å²	64	76.6 Å²	76.6	33%	0.328	37%	0.371	S	S	.	.	H	α-helix	trans	-68	-45.7	177.6	-60.3	169.9	0	0	0	110.3	F184 K191 L192 V220	F184-I188 HydrophobicContact CD1-CD1 4.15Å; F184-I188 HydrophobicContact CE1-CD1 3.68Å; F184-I188 HydrophobicContact CZ-CD1 4.17Å; F184-I188 WeakPolarHBondContact O-CG1 3.48Å; F184-I188 PolarHBondContact O-N 3.06Å; I188-K191 PolarHBondContact O-N 3.22Å; I188-L192 HydrophobicContact CG2-CD1 4.14Å; I188-L192 WeakPolarHBondContact O-CG 3.12Å; I188-L192 PolarHBondContact O-N 3.09Å; I188-L192 VanDerWaalsContact O-N 3.1Å; I188-V220 HydrophobicContact CB-CG1 4.41Å; I188-V220 HydrophobicContact CG2-CG1 3.65Å; I188-V220 HydrophobicContact CG2-CG2 4.49Å
189	A	70.2	Confident	64.4	Low	3 Å²	3	70 Å²	70	3%	0.025	34%	0.338	C	S	.	.	H	α-helix	trans	-59.5	-48.1	175.3	0	0	0	0	0	110.4	Y185 K191 L192 F193 A203 A218 V220	Y185-A189 WeakPolarHBondContact O-CB 3.22Å; Y185-A189 PolarHBondContact O-N 2.97Å; A189-K191 VanDerWaalsContact C-N 3.34Å; A189-K191 PolarHBondContact O-N 3.39Å; A189-L192 CarbonylContact O-C 3.53Å; A189-L192 WeakPolarHBondContact O-CA 3.3Å; A189-L192 WeakPolarHBondContact O-CB 3.06Å; A189-L192 PolarHBondContact O-N 3.38Å; A189-F193 HydrophobicContact CB-CD2 4.46Å; A189-F193 HydrophobicContact CB-CE2 4.44Å; A189-F193 WeakPolarHBondContact O-CD2 3.21Å; A189-F193 PolarHBondContact O-N 3.01Å; A189-A203 HydrophobicContact CB-CB 4.09Å; A189-A218 HydrophobicContact CB-CB 4.48Å; A189-V220 HydrophobicContact CB-CG2 4.29Å
190	R	77.6	Confident	66.4	Low	86 Å²	86	67.3 Å²	67.3	33%	0.325	33%	0.327	S	S	.	.	H	α-helix	trans	-53.6	-49.4	175.8	176.7	174.3	69.8	112.2	-3.6	111	A186 D187 L192 F193 M194 V346	A186-R190 WeakPolarHBondContact O-CA 3.23Å; A186-R190 WeakPolarHBondContact O-CB 3.4Å; A186-R190 PolarHBondContact O-N 2.89Å; D187-R190 PolarHBondContact O-N 2.82Å; D187-R190 IonicContact OD1-CZ 3.1Å; D187-R190 IonicContact OD1-NE 3.27Å; D187-R190 PolarHBondContact OD1-NE 3.12Å; D187-R190 IonicContact OD1-NH2 2.57Å; D187-R190 PolarHBondContact OD1-NH2 3.45Å; R190-L192 PolarHBondContact O-N 2.85Å; R190-F193 PolarHBondContact O-N 3.35Å; R190-F193 VanDerWaalsContact O-N 3.1Å; R190-M194 HydrophobicContact CG-CG 4.22Å; R190-M194 WeakPolarHBondContact O-CB 3.37Å; R190-M194 WeakPolarHBondContact O-CG 3.36Å; R190-M194 PolarHBondContact O-N 3.47Å; R190-V346 WeakPolarHBondContact CD-O 3.48Å; R190-V346 HydrophobicContact CG-CB 3.9Å; R190-V346 HydrophobicContact CG-CG1 4.07Å
191	K	83.3	Confident	68.7	Low	146 Å²	146	59.5 Å²	59.5	64%	0.635	29%	0.293	S	S	*	.	H	α-helix	trans	-56	-41.4	176	-174.4	177.9	177.7	-177.7	0	111.9	D187 I188 A189 M194 Q195	D187-K191 WeakPolarHBondContact O-CB 3.28Å; D187-K191 PolarHBondContact O-N 3.4Å; I188-K191 PolarHBondContact O-N 3.22Å; A189-K191 VanDerWaalsContact C-N 3.34Å; A189-K191 PolarHBondContact O-N 3.39Å; K191-M194 PolarHBondContact O-N 2.79Å; K191-Q195 PolarHBondContact O-N 2.83Å
192	L	84.8	Confident	71	Confident	34 Å²	34	60.2 Å²	60.2	18%	0.178	28%	0.283	C	S	.	.	H	α-helix	trans	-71.8	-29.9	178.3	-67.8	165.2	0	0	0	113.3	I188 A189 R190 Q195 P196 K202 A203 P257	I188-L192 HydrophobicContact CG2-CD1 4.14Å; I188-L192 WeakPolarHBondContact O-CG 3.12Å; I188-L192 PolarHBondContact O-N 3.09Å; I188-L192 VanDerWaalsContact O-N 3.1Å; A189-L192 CarbonylContact O-C 3.53Å; A189-L192 WeakPolarHBondContact O-CA 3.3Å; A189-L192 WeakPolarHBondContact O-CB 3.06Å; A189-L192 PolarHBondContact O-N 3.38Å; R190-L192 PolarHBondContact O-N 2.85Å; L192-Q195 CarbonylContact O-C 3.49Å; L192-P196 WeakPolarHBondContact O-CA 3.32Å; L192-K202 HydrophobicContact CD1-CB 3.73Å; L192-K202 HydrophobicContact CD2-CB 4.24Å; L192-K202 HydrophobicContact CD2-CD 4.4Å; L192-A203 HydrophobicContact CB-CB 4.19Å; L192-A203 HydrophobicContact CD1-CB 3.57Å; L192-P257 HydrophobicContact CB-CG 4.44Å; L192-P257 VanDerWaalsContact O-CB 3.29Å; L192-P257 WeakPolarHBondContact O-CB 3.41Å
193	F	88.4	Confident	73.1	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-77.4	-29.7	171.6	-80	-78.9	0	0	0	113.3	A189 R190 V205 L256 P257 L309 L337 W342 L345 V346	A189-F193 HydrophobicContact CB-CD2 4.46Å; A189-F193 HydrophobicContact CB-CE2 4.44Å; A189-F193 WeakPolarHBondContact O-CD2 3.21Å; A189-F193 PolarHBondContact O-N 3.01Å; R190-F193 PolarHBondContact O-N 3.35Å; R190-F193 VanDerWaalsContact O-N 3.1Å; F193-V205 HydrophobicContact CE2-CG2 3.91Å; F193-V205 HydrophobicContact CZ-CG2 4.34Å; F193-L256 VanDerWaalsContact CE1-C 3.43Å; F193-P257 HydrophobicContact CD1-CB 4.24Å; F193-P257 HydrophobicContact CE1-CB 4.45Å; F193-L309 HydrophobicContact CD1-CD1 4.25Å; F193-L337 HydrophobicContact CD1-CD2 3.66Å; F193-L337 HydrophobicContact CE1-CD2 3.68Å; F193-W342 PolarHBondContact O-NE1 2.73Å; F193-W342 VanDerWaalsContact O-NE1 3.09Å; F193-L345 HydrophobicContact CD1-CD1 4.29Å; F193-L345 HydrophobicContact CE1-CD1 3.89Å; F193-L345 HydrophobicContact CZ-CD1 4.1Å; F193-V346 HydrophobicContact CB-CG1 3.93Å
194	M	84.5	Confident	75.5	Confident	37 Å²	37	55.7 Å²	55.7	18%	0.182	26%	0.255	C	S	.	.	H	α-helix	trans	-73.2	-33.4	174.7	-68.4	-68.5	-54.9	0	0	111.6	R190 K191 W342 V346 L372	R190-M194 HydrophobicContact CG-CG 4.22Å; R190-M194 WeakPolarHBondContact O-CB 3.37Å; R190-M194 WeakPolarHBondContact O-CG 3.36Å; R190-M194 PolarHBondContact O-N 3.47Å; K191-M194 PolarHBondContact O-N 2.79Å; M194-W342 HydrophobicContact CE-CH2 4.25Å; M194-W342 HydrophobicContact CE-CZ2 4.11Å; M194-W342 HydrophobicContact SD-CH2 3.68Å; M194-W342 HydrophobicContact SD-CZ2 3.25Å; M194-W342 WeakPolarHBondContact SD-CZ2 3.43Å; M194-V346 HydrophobicContact CG-CG1 4.42Å; M194-V346 HydrophobicContact SD-CB 4.27Å; M194-V346 HydrophobicContact SD-CG1 4.19Å; M194-V346 HydrophobicContact SD-CG2 4.34Å; M194-L372 HydrophobicContact CE-CB 4.3Å; M194-L372 HydrophobicContact CE-CD1 4.05Å; M194-L372 HydrophobicContact CE-CD2 4.25Å; M194-L372 HydrophobicContact CE-CG 4.46Å
195	Q	81.1	Confident	78	Confident	139 Å²	139	49.5 Å²	49.5	65%	0.65	23%	0.229	S	C	*	.	S	Bend	trans	-132.6	77.9	-179.9	-66.9	-179.4	-6.3	0	0	109.7	K191 L192 Y197	K191-Q195 PolarHBondContact O-N 2.83Å; L192-Q195 CarbonylContact O-C 3.49Å; Q195-Y197 PolarHBondContact O-N 3.49Å
196	P	78.5	Confident	80	Confident	13 Å²	13	44.4 Å²	44.4	8%	0.084	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-61.3	116.9	176.5	25.3	-32.6	0	0	0	109.3	L192 P257 L309 A310 L378 Y381	L192-P196 WeakPolarHBondContact O-CA 3.32Å; P196-P257 HydrophobicContact CB-CB 4.29Å; P196-P257 WeakPolarHBondContact CB-O 3.4Å; P196-L309 HydrophobicContact CG-CD1 4.48Å; P196-A310 HydrophobicContact CB-CB 4.17Å; P196-A310 HydrophobicContact CG-CB 4.49Å; P196-L378 HydrophobicContact CG-CD2 4.23Å; P196-Y381 HydrophobicContact CG-CD2 4.1Å; P196-Y381 HydrophobicContact CG-CE2 3.85Å
197	Y	74.5	Confident	81.4	Confident	153 Å²	153	45.1 Å²	45.1	60%	0.6	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-88.9	129.5	171.8	176.4	-99.6	0	0	0	108.8	Q195 T258	Q195-Y197 PolarHBondContact O-N 3.49Å; Y197-T258 WeakPolarHBondContact O-CG2 3.27Å
198	R	72.6	Confident	82.5	Confident	52 Å²	52	42.2 Å²	42.2	20%	0.196	19%	0.192	C	C	.	.	S	Bend	trans	-65.1	135.4	176.4	-65.6	-172.9	-177	-129.4	0.8	110.4	R314	R198-R314 VanDerWaalsContact NH1-CA 3.31Å
199	G	76.3	Confident	83.3	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.01	18%	0.183	C	C	.	.	S	Bend	trans	122.3	-169	-169.4	0	0	0	0	0	111.2	T258 Y312	G199-T258 PolarHBondContact O-OG1 2.76Å; G199-T258 VanDerWaalsContact O-OG1 3.06Å; G199-Y312 PolarHBondContact N-O 3Å; G199-Y312 WeakPolarHBondContact O-CD2 3.46Å
200	S	76.1	Confident	84.1	Confident	27 Å²	27	40.8 Å²	40.8	19%	0.189	19%	0.186	C	C	.	.	S	Bend	trans	-64	139.6	-169	55.2	0	0	0	0	111.1	K202 H229 Y312	S200-K202 PolarHBondContact O-N 3.04Å; S200-K202 VanDerWaalsContact O-N 3.11Å; S200-H229 WeakPolarHBondContact CB-NE2 3.4Å; S200-H229 PolarHBondContact OG-NE2 3.3Å; S200-Y312 VanDerWaalsContact N-CE2 3.26Å
201	S	82	Confident	84.4	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.021	19%	0.191	C	C	.	.			trans	-63.3	117.9	-179.4	-59.9	0	0	0	0	110.1	V230 T258	S201-V230 WeakPolarHBondContact O-CB 3.47Å; S201-V230 WeakPolarHBondContact O-CG1 3.36Å; S201-T258 WeakPolarHBondContact CA-OG1 3.49Å; S201-T258 PolarHBondContact N-OG1 3.43Å; S201-T258 PolarHBondContact OG-O 3.3Å; S201-T258 PolarHBondContact OG-OG1 2.8Å
202	K	84.5	Confident	84.2	Confident	63 Å²	63	40.2 Å²	40.2	27%	0.274	20%	0.198	S	C	.	.	S	Bend	trans	-87.8	-15.4	176.2	-66.9	-176.7	178.4	177.2	0	113	L192 S200 V220 V221 E223	L192-K202 HydrophobicContact CD1-CB 3.73Å; L192-K202 HydrophobicContact CD2-CB 4.24Å; L192-K202 HydrophobicContact CD2-CD 4.4Å; S200-K202 PolarHBondContact O-N 3.04Å; S200-K202 VanDerWaalsContact O-N 3.11Å; K202-V220 WeakPolarHBondContact O-CA 3.45Å; K202-V221 PolarHBondContact O-N 3.45Å; K202-E223 IonicContact NZ-OE1 3.59Å
203	A	89.5	Confident	84	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.7	178.1	0	0	0	0	0	111.2	A189 L192 F219 V220 P257	A189-A203 HydrophobicContact CB-CB 4.09Å; L192-A203 HydrophobicContact CB-CB 4.19Å; L192-A203 HydrophobicContact CD1-CB 3.57Å; A203-F219 CarbonylContact C-O 3.53Å; A203-F219 VanDerWaalsContact CA-O 3.27Å; A203-F219 WeakPolarHBondContact CA-O 3.42Å; A203-V220 HydrophobicContact CB-CG2 4.34Å; A203-P257 WeakPolarHBondContact O-CD 3.22Å
204	L	91.5	Very high	83.7	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	133.3	174.5	172.4	157.7	0	0	0	107.7	A206 A218 F219 V230 E231 F234 L254 Y255 L256	L204-A206 HydrophobicContact CD2-CB 3.94Å; L204-A218 CarbonylContact O-C 3.58Å; L204-F219 HydrophobicContact CB-CB 4.44Å; L204-F219 HydrophobicContact CD2-CB 4.43Å; L204-F219 HydrophobicContact CD2-CD2 3.62Å; L204-F219 HydrophobicContact CD2-CE2 4.25Å; L204-F219 HydrophobicContact CD2-CG 4.29Å; L204-F219 PolarHBondContact N-O 2.84Å; L204-F219 PolarHBondContact O-N 3.39Å; L204-V230 HydrophobicContact CB-CB 4.35Å; L204-V230 HydrophobicContact CB-CG1 3.67Å; L204-V230 HydrophobicContact CB-CG2 3.74Å; L204-V230 HydrophobicContact CD1-CG1 4.42Å; L204-E231 HydrophobicContact CD1-CG 4.15Å; L204-F234 HydrophobicContact CD1-CB 4.19Å; L204-F234 HydrophobicContact CD1-CG 4.35Å; L204-F234 HydrophobicContact CD2-CB 4.07Å; L204-F234 HydrophobicContact CD2-CD2 4.05Å; L204-F234 HydrophobicContact CD2-CG 4.08Å; L204-L254 HydrophobicContact CD1-CD1 4.39Å; L204-L254 HydrophobicContact CD2-CD2 4.37Å; L204-Y255 WeakPolarHBondContact CA-O 3.2Å; L204-L256 HydrophobicContact CB-CG 4.46Å; L204-L256 HydrophobicContact CD1-CD2 4.11Å; L204-L256 HydrophobicContact CD1-CG 4.31Å; L204-L256 HydrophobicContact CG-CG 4.35Å
205	V	91.2	Very high	83.6	Confident	17 Å²	17	43.8 Å²	43.8	10%	0.103	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.9	170.2	179.9	0	0	0	0	107.7	F193 A218 Y255 L345	F193-V205 HydrophobicContact CE2-CG2 3.91Å; F193-V205 HydrophobicContact CZ-CG2 4.34Å; V205-A218 HydrophobicContact CG2-CB 4.12Å; V205-Y255 HydrophobicContact CB-CD2 4.29Å; V205-Y255 HydrophobicContact CG1-CD2 4.3Å; V205-Y255 PolarHBondContact N-O 3.41Å; V205-Y255 WeakPolarHBondContact O-CD2 3.31Å; V205-Y255 PolarHBondContact O-N 3.38Å; V205-L345 HydrophobicContact CB-CD2 3.8Å; V205-L345 HydrophobicContact CG1-CD2 3.67Å; V205-L345 HydrophobicContact CG2-CD2 4.04Å
206	A	92	Very high	83.7	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128	176.3	0	0	0	0	0	109.5	L204 S216 R217 F219 F234 I253 L254	L204-A206 HydrophobicContact CD2-CB 3.94Å; A206-S216 CarbonylContact O-C 3.53Å; A206-S216 WeakPolarHBondContact O-CA 3.38Å; A206-R217 PolarHBondContact N-O 3.29Å; A206-R217 PolarHBondContact O-N 2.74Å; A206-F219 HydrophobicContact CB-CE2 3.97Å; A206-F234 HydrophobicContact CB-CD2 3.9Å; A206-F234 HydrophobicContact CB-CE2 3.59Å; A206-I253 WeakPolarHBondContact CA-O 3.3Å; A206-L254 HydrophobicContact CB-CD2 3.74Å
207	Q	91	Very high	83.9	Confident	43 Å²	43	41.9 Å²	41.9	20%	0.201	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.9	170.2	179.8	174.7	-47.5	0	0	108.8	T214 Y215 V252 I253 Y255	Q207-T214 HydrophobicContact CG-CG2 3.44Å; Q207-T214 VanDerWaalsContact CG-CG2 3.44Å; Q207-Y215 CarbonylContact C-O 3.57Å; Q207-Y215 WeakPolarHBondContact CA-O 3.47Å; Q207-V252 CarbonylContact O-C 3.53Å; Q207-V252 WeakPolarHBondContact O-CA 3.41Å; Q207-I253 HydrophobicContact CB-CB 4.3Å; Q207-I253 PolarHBondContact N-O 3.39Å; Q207-I253 PolarHBondContact O-N 3.33Å; Q207-Y255 HydrophobicContact CB-CE2 4.01Å
208	L	90.7	Very high	84.4	Confident	4 Å²	4	35.6 Å²	35.6	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110.4	-179.1	-53.8	-177.7	0	0	0	108.7	F156 T214 Y215 L238 L249 V252	F156-L208 HydrophobicContact CD1-CD1 3.68Å; F156-L208 HydrophobicContact CE1-CD1 3.56Å; F156-L208 HydrophobicContact CG-CD1 4.27Å; F156-L208 HydrophobicContact CZ-CD1 4.11Å; L208-T214 WeakPolarHBondContact O-CA 3.37Å; L208-Y215 PolarHBondContact N-O 3.26Å; L208-Y215 PolarHBondContact O-N 3.41Å; L208-L238 HydrophobicContact CD1-CD1 4.28Å; L208-L249 HydrophobicContact CB-CD2 3.91Å; L208-V252 HydrophobicContact CD2-CB 4.25Å; L208-V252 HydrophobicContact CD2-CG1 3.8Å; L208-V252 HydrophobicContact CD2-CG2 3.77Å
209	T	89.7	Confident	85.1	Confident	24 Å²	24	33.3 Å²	33.3	15%	0.147	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.5	177.8	-52.8	0	0	0	0	109.6	R250 E251	T209-R250 PolarHBondContact O-N 2.93Å; T209-E251 PolarHBondContact N-O 3.31Å; T209-E251 PolarHBondContact O-N 3.27Å; T209-E251 PolarHBondContact OG1-OE2 2.83Å
210	T	86.7	Confident	85.6	Confident	12 Å²	12	33.8 Å²	33.8	7%	0.074	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-179.3	171.8	65.5	0	0	0	0	110	T212 A213 Y215 P248 L249	T210-T212 PolarHBondContact O-N 3.16Å; T210-T212 PolarHBondContact OG1-N 2.95Å; T210-A213 PolarHBondContact N-O 3.47Å; T210-A213 PolarHBondContact OG1-N 3.17Å; T210-A213 VanDerWaalsContact OG1-N 3.08Å; T210-A213 PolarHBondContact OG1-O 3.03Å; T210-Y215 HydrophobicContact CG2-CD2 4.31Å; T210-Y215 HydrophobicContact CG2-CE2 3.98Å; T210-P248 WeakPolarHBondContact CA-O 2.95Å; T210-P248 WeakPolarHBondContact CB-O 3.38Å; T210-L249 HydrophobicContact CG2-CD2 4.18Å
211	E	83.2	Confident	86	Confident	95 Å²	95	33 Å²	33	44%	0.444	18%	0.183	S	C	.	.	S	Bend	trans	-64.5	-26.2	176.4	-38.9	-158.5	126.6	0	0	113.3	P248 R250 R299	E211-P248 HydrophobicContact CG-CB 4.13Å; E211-P248 HydrophobicContact CG-CG 4.36Å; E211-R250 HydrophobicContact CG-CG 4.43Å; E211-R250 IonicContact OE1-CZ 2.95Å; E211-R250 IonicContact OE1-NE 2.54Å; E211-R250 PolarHBondContact OE1-NE 3.5Å; E211-R250 IonicContact OE1-NH2 2.8Å; E211-R250 PolarHBondContact OE1-NH2 3.37Å; E211-R299 IonicContact OE1-NH1 3.29Å
212	T	80.4	Confident	85.8	Confident	126 Å²	126	35.6 Å²	35.6	77%	0.773	20%	0.2	S	C	*	.	S	Bend	trans	-111.9	-23	-171.2	53.6	0	0	0	0	113.9	T210	T210-T212 PolarHBondContact O-N 3.16Å; T210-T212 PolarHBondContact OG1-N 2.95Å
213	A	80.6	Confident	85.1	Confident	22 Å²	22	40.3 Å²	40.3	18%	0.182	22%	0.224	C	C	.	.			trans	-159.4	158.2	-169.9	0	0	0	0	0	112.7	T210 Y215	T210-A213 PolarHBondContact N-O 3.47Å; T210-A213 PolarHBondContact OG1-N 3.17Å; T210-A213 VanDerWaalsContact OG1-N 3.08Å; T210-A213 PolarHBondContact OG1-O 3.03Å; A213-Y215 HydrophobicContact CB-CE1 4.16Å; A213-Y215 HydrophobicContact CB-CE2 3.91Å; A213-Y215 WeakPolarHBondContact CB-OH 3.49Å
214	T	81.4	Confident	84.4	Confident	73 Å²	73	49.6 Å²	49.6	45%	0.448	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.5	172.7	-59.1	0	0	0	0	109.5	Q207 L208	Q207-T214 HydrophobicContact CG-CG2 3.44Å; Q207-T214 VanDerWaalsContact CG-CG2 3.44Å; L208-T214 WeakPolarHBondContact O-CA 3.37Å
215	Y	81.6	Confident	83.4	Confident	52 Å²	52	53.8 Å²	53.8	20%	0.204	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.7	-178	-57	-73	0	0	0	110.4	V158 E174 Q207 L208 T210 A213	V158-Y215 HydrophobicContact CB-CE1 4.38Å; V158-Y215 HydrophobicContact CG1-CD1 3.95Å; V158-Y215 HydrophobicContact CG1-CE1 3.35Å; V158-Y215 HydrophobicContact CG1-CE2 4.33Å; V158-Y215 HydrophobicContact CG2-CD1 3.88Å; V158-Y215 HydrophobicContact CG2-CE1 4.16Å; V158-Y215 HydrophobicContact CG2-CG 4.08Å; E174-Y215 WeakPolarHBondContact OE1-CE1 3.39Å; Q207-Y215 CarbonylContact C-O 3.57Å; Q207-Y215 WeakPolarHBondContact CA-O 3.47Å; L208-Y215 PolarHBondContact N-O 3.26Å; L208-Y215 PolarHBondContact O-N 3.41Å; T210-Y215 HydrophobicContact CG2-CD2 4.31Å; T210-Y215 HydrophobicContact CG2-CE2 3.98Å; A213-Y215 HydrophobicContact CB-CE1 4.16Å; A213-Y215 HydrophobicContact CB-CE2 3.91Å; A213-Y215 WeakPolarHBondContact CB-OH 3.49Å
216	S	82.9	Confident	82.4	Confident	60 Å²	60	56.7 Å²	56.7	42%	0.42	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.3	177.9	-62.3	0	0	0	0	111.3	A206	A206-S216 CarbonylContact O-C 3.53Å; A206-S216 WeakPolarHBondContact O-CA 3.38Å
217	R	83.6	Confident	81.6	Confident	52 Å²	52	66.4 Å²	66.4	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	127.8	-179.2	-172.3	170.1	-176.9	-153.7	-6.8	112.4	A206 F219	A206-R217 PolarHBondContact N-O 3.29Å; A206-R217 PolarHBondContact O-N 2.74Å; R217-F219 HydrophobicContact CB-CE2 4.2Å; R217-F219 HydrophobicContact CG-CE2 4.06Å; R217-F219 HydrophobicContact CG-CZ 4.33Å; R217-F219 WeakPolarHBondContact O-CD2 3.45Å
218	A	85.3	Confident	81.3	Confident	22 Å²	22	68.4 Å²	68.4	18%	0.182	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	139.8	171.6	0	0	0	0	0	112.1	A189 L204 V205	A189-A218 HydrophobicContact CB-CB 4.48Å; L204-A218 CarbonylContact O-C 3.58Å; V205-A218 HydrophobicContact CG2-CB 4.12Å
219	F	87.5	Confident	81.1	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.4	171.1	-63.1	-100.1	0	0	0	107.5	F156 A203 L204 A206 R217 V230 K233 F234 Q237	F156-F219 AromaticContact CE1-CZ 4Å; F156-F219 HydrophobicContact CE1-CZ 4Å; F156-F219 HydrophobicContact CZ-CZ 4.36Å; A203-F219 CarbonylContact C-O 3.53Å; A203-F219 VanDerWaalsContact CA-O 3.27Å; A203-F219 WeakPolarHBondContact CA-O 3.42Å; L204-F219 HydrophobicContact CB-CB 4.44Å; L204-F219 HydrophobicContact CD2-CB 4.43Å; L204-F219 HydrophobicContact CD2-CD2 3.62Å; L204-F219 HydrophobicContact CD2-CE2 4.25Å; L204-F219 HydrophobicContact CD2-CG 4.29Å; L204-F219 PolarHBondContact N-O 2.84Å; L204-F219 PolarHBondContact O-N 3.39Å; A206-F219 HydrophobicContact CB-CE2 3.97Å; R217-F219 HydrophobicContact CB-CE2 4.2Å; R217-F219 HydrophobicContact CG-CE2 4.06Å; R217-F219 HydrophobicContact CG-CZ 4.33Å; R217-F219 WeakPolarHBondContact O-CD2 3.45Å; F219-V230 HydrophobicContact CB-CG2 3.55Å; F219-V230 WeakPolarHBondContact O-CG2 3.26Å; F219-K233 HydrophobicContact CD1-CG 4.28Å; F219-F234 HydrophobicContact CD1-CB 4.37Å; F219-F234 HydrophobicContact CD2-CB 4.5Å; F219-F234 HydrophobicContact CD2-CD2 4.39Å; F219-F234 HydrophobicContact CE1-CB 4.38Å; F219-F234 AromaticContact CE2-CD2 3.8Å; F219-F234 HydrophobicContact CE2-CD2 3.8Å; F219-F234 HydrophobicContact CG-CB 4.43Å; F219-F234 HydrophobicContact CZ-CB 4.47Å; F219-F234 AromaticContact CZ-CD2 3.9Å; F219-F234 HydrophobicContact CZ-CD2 3.9Å; F219-Q237 HydrophobicContact CE1-CB 4.08Å; F219-Q237 HydrophobicContact CE1-CG 4.37Å
220	V	86.8	Confident	81.1	Confident	10 Å²	10	67.3 Å²	67.3	6%	0.061	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.6	177.4	-178.6	0	0	0	0	108.6	Y185 I188 A189 K202 A203 K233	Y185-V220 HydrophobicContact CD1-CB 3.8Å; Y185-V220 HydrophobicContact CD1-CG2 3.78Å; Y185-V220 HydrophobicContact CE1-CB 4.23Å; I188-V220 HydrophobicContact CB-CG1 4.41Å; I188-V220 HydrophobicContact CG2-CG1 3.65Å; I188-V220 HydrophobicContact CG2-CG2 4.49Å; A189-V220 HydrophobicContact CB-CG2 4.29Å; K202-V220 WeakPolarHBondContact O-CA 3.45Å; A203-V220 HydrophobicContact CB-CG2 4.34Å; V220-K233 PolarHBondContact O-NZ 2.97Å
221	V	84.3	Confident	81.3	Confident	12 Å²	12	66.8 Å²	66.8	7%	0.073	34%	0.339	C	S	.	.			trans	-106.4	132.8	171	175.5	0	0	0	0	107.8	K202 E225 I228 V230 K233	K202-V221 PolarHBondContact O-N 3.45Å; V221-E225 WeakPolarHBondContact CA-OE2 3.32Å; V221-E225 HydrophobicContact CG1-CB 3.49Å; V221-E225 VanDerWaalsContact CG1-CB 3.49Å; V221-E225 WeakPolarHBondContact CG1-O 3.23Å; V221-E225 WeakPolarHBondContact CG1-OE2 3.31Å; V221-I228 WeakPolarHBondContact CG1-O 3.33Å; V221-V230 HydrophobicContact CG2-CB 3.85Å; V221-V230 HydrophobicContact CG2-CG2 4.2Å; V221-K233 HydrophobicContact CG2-CD 4.48Å
222	S	77.5	Confident	81.6	Confident	56 Å²	56	63.1 Å²	63.1	39%	0.392	32%	0.322	S	S	.	.			trans	-74.5	156.2	178.9	77.9	0	0	0	0	111	K224 E225	S222-K224 PolarHBondContact O-N 3.22Å; S222-K224 PolarHBondContact OG-N 2.92Å; S222-E225 PolarHBondContact N-OE2 3.23Å; S222-E225 PolarHBondContact O-N 2.88Å; S222-E225 WeakPolarHBondContact OG-CG 3.38Å; S222-E225 PolarHBondContact OG-N 3.45Å
223	E	70.7	Confident	82	Confident	163 Å²	163	59.8 Å²	59.8	76%	0.762	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.1	176.4	-60.3	-174	151	0	0	113.7	K202	K202-E223 IonicContact NZ-OE1 3.59Å
224	K	73.1	Confident	82.6	Confident	194 Å²	194	58.7 Å²	58.7	84%	0.843	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-22	176.1	-60.4	-176.9	179.5	-177.2	0	112.9	S222 T226	S222-K224 PolarHBondContact O-N 3.22Å; S222-K224 PolarHBondContact OG-N 2.92Å; K224-T226 PolarHBondContact O-N 2.86Å; K224-T226 VanDerWaalsContact O-N 3.16Å
225	E	72.1	Confident	83.1	Confident	89 Å²	89	57.7 Å²	57.7	42%	0.416	28%	0.276	S	S	.	.			trans	-84	85.9	179.3	-75.3	171.4	164.3	0	0	108.6	V221 S222	V221-E225 WeakPolarHBondContact CA-OE2 3.32Å; V221-E225 HydrophobicContact CG1-CB 3.49Å; V221-E225 VanDerWaalsContact CG1-CB 3.49Å; V221-E225 WeakPolarHBondContact CG1-O 3.23Å; V221-E225 WeakPolarHBondContact CG1-OE2 3.31Å; S222-E225 PolarHBondContact N-OE2 3.23Å; S222-E225 PolarHBondContact O-N 2.88Å; S222-E225 WeakPolarHBondContact OG-CG 3.38Å; S222-E225 PolarHBondContact OG-N 3.45Å
226	T	68.8	Low	83.5	Confident	77 Å²	77	60.4 Å²	60.4	47%	0.472	29%	0.29	S	S	.	.			trans	-82.5	-25.4	-178	56.9	0	0	0	0	112.6	K224 T277	K224-T226 PolarHBondContact O-N 2.86Å; K224-T226 VanDerWaalsContact O-N 3.16Å; T226-T277 WeakPolarHBondContact O-CB 3.31Å; T226-T277 PolarHBondContact O-OG1 3.47Å
227	R	76.6	Confident	83.7	Confident	205 Å²	205	59.5 Å²	59.5	77%	0.774	28%	0.28	S	S	*	.	S	Bend	trans	-94.9	2.3	-168.5	-61.4	-173.9	-178.4	-173.1	-0.8	115.8	V278	R227-V278 WeakPolarHBondContact O-CG2 3.42Å
228	I	83	Confident	84	Confident	84 Å²	84	57 Å²	57	43%	0.431	27%	0.27	S	S	.	.			trans	-136.1	121.2	-174.4	-59.2	175.9	0	0	0	108.5	V221 Q232	V221-I228 WeakPolarHBondContact CG1-O 3.33Å; I228-Q232 HydrophobicContact CG2-CB 4.23Å
229	H	87.8	Confident	84.2	Confident	5 Å²	5	56.5 Å²	56.5	2%	0.023	26%	0.264	C	S	.	.			trans	-82	157.2	170.8	-70.6	-179.8	0	0	0	111.7	S200 E231 Q232 K233 C261 C276 V278 C282	S200-H229 WeakPolarHBondContact CB-NE2 3.4Å; S200-H229 PolarHBondContact OG-NE2 3.3Å; H229-E231 VanDerWaalsContact C-N 3.26Å; H229-E231 WeakPolarHBondContact CB-OE2 3.25Å; H229-E231 PolarHBondContact O-N 2.75Å; H229-Q232 WeakPolarHBondContact O-CB 3.37Å; H229-Q232 PolarHBondContact O-N 3.08Å; H229-Q232 VanDerWaalsContact O-N 3.17Å; H229-K233 PolarHBondContact O-N 3.21Å; H229-C261 PolarHBondContact ND1-SG 3.17Å; H229-C276 PolarHBondContact CE1-SG 3.1Å; H229-V278 WeakPolarHBondContact CD2-CG2 3.45Å; H229-C282 WeakPolarHBondContact CB-SG 3.37Å; H229-C282 PolarHBondContact ND1-SG 3.22Å
230	V	89	Confident	84.2	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.6	-31.8	-173.5	73.3	0	0	0	0	112.6	S201 L204 F219 V221 Q232 K233 F234	S201-V230 WeakPolarHBondContact O-CB 3.47Å; S201-V230 WeakPolarHBondContact O-CG1 3.36Å; L204-V230 HydrophobicContact CB-CB 4.35Å; L204-V230 HydrophobicContact CB-CG1 3.67Å; L204-V230 HydrophobicContact CB-CG2 3.74Å; L204-V230 HydrophobicContact CD1-CG1 4.42Å; F219-V230 HydrophobicContact CB-CG2 3.55Å; F219-V230 WeakPolarHBondContact O-CG2 3.26Å; V221-V230 HydrophobicContact CG2-CB 3.85Å; V221-V230 HydrophobicContact CG2-CG2 4.2Å; V230-Q232 VanDerWaalsContact C-N 3.31Å; V230-Q232 PolarHBondContact O-N 2.8Å; V230-K233 WeakPolarHBondContact O-CB 3.39Å; V230-K233 PolarHBondContact O-N 2.81Å; V230-F234 PolarHBondContact O-N 3.23Å
231	E	92.3	Very high	84	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-35.9	177.9	-58.9	90.1	151.3	0	0	111.3	L204 H229 F234 Y235 L256 P260 C282 L286	L204-E231 HydrophobicContact CD1-CG 4.15Å; H229-E231 VanDerWaalsContact C-N 3.26Å; H229-E231 WeakPolarHBondContact CB-OE2 3.25Å; H229-E231 PolarHBondContact O-N 2.75Å; E231-F234 WeakPolarHBondContact O-CB 3.49Å; E231-F234 PolarHBondContact O-N 2.81Å; E231-Y235 WeakPolarHBondContact O-CB 3.46Å; E231-Y235 PolarHBondContact O-N 2.93Å; E231-L256 HydrophobicContact CG-CD2 4.08Å; E231-P260 WeakPolarHBondContact OE1-CA 3.23Å; E231-C282 HydrophobicContact CB-CB 4.03Å; E231-C282 HydrophobicContact CG-CB 3.88Å; E231-C282 PolarHBondContact OE2-SG 3.29Å; E231-L286 HydrophobicContact CB-CD2 4.18Å; E231-L286 HydrophobicContact CB-CG 4.35Å; E231-L286 HydrophobicContact CG-CD1 4.19Å; E231-L286 HydrophobicContact CG-CD2 4.47Å; E231-L286 HydrophobicContact CG-CG 4.39Å
232	Q	88.8	Confident	84	Confident	18 Å²	18	60.4 Å²	60.4	8%	0.084	28%	0.284	C	S	.	.	H	α-helix	trans	-69.4	-41.8	174.7	-63.4	176.6	7.8	0	0	110.8	I228 H229 V230 F234 Y235 H236	I228-Q232 HydrophobicContact CG2-CB 4.23Å; H229-Q232 WeakPolarHBondContact O-CB 3.37Å; H229-Q232 PolarHBondContact O-N 3.08Å; H229-Q232 VanDerWaalsContact O-N 3.17Å; V230-Q232 VanDerWaalsContact C-N 3.31Å; V230-Q232 PolarHBondContact O-N 2.8Å; Q232-F234 PolarHBondContact O-N 3.38Å; Q232-Y235 PolarHBondContact O-N 3.45Å; Q232-H236 PolarHBondContact O-N 2.73Å; Q232-H236 PolarHBondContact O-ND1 3.38Å
233	K	89	Confident	84.3	Confident	56 Å²	56	61 Å²	61	24%	0.243	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-36.9	175.8	-172.6	175.7	-174.7	166.9	0	111.7	F219 V220 V221 H229 V230 Q237	F219-K233 HydrophobicContact CD1-CG 4.28Å; V220-K233 PolarHBondContact O-NZ 2.97Å; V221-K233 HydrophobicContact CG2-CD 4.48Å; H229-K233 PolarHBondContact O-N 3.21Å; V230-K233 WeakPolarHBondContact O-CB 3.39Å; V230-K233 PolarHBondContact O-N 2.81Å; K233-Q237 WeakPolarHBondContact O-CG 3.34Å; K233-Q237 PolarHBondContact O-N 3.21Å; K233-Q237 PolarHBondContact O-NE2 3.39Å
234	F	92.4	Very high	84.6	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-53.1	170.7	163.7	-103.8	0	0	0	111.5	L204 A206 F219 V230 E231 Q232 H236 Q237 L238 V252 L254 L286 M304	L204-F234 HydrophobicContact CD1-CB 4.19Å; L204-F234 HydrophobicContact CD1-CG 4.35Å; L204-F234 HydrophobicContact CD2-CB 4.07Å; L204-F234 HydrophobicContact CD2-CD2 4.05Å; L204-F234 HydrophobicContact CD2-CG 4.08Å; A206-F234 HydrophobicContact CB-CD2 3.9Å; A206-F234 HydrophobicContact CB-CE2 3.59Å; F219-F234 HydrophobicContact CD1-CB 4.37Å; F219-F234 HydrophobicContact CD2-CB 4.5Å; F219-F234 HydrophobicContact CD2-CD2 4.39Å; F219-F234 HydrophobicContact CE1-CB 4.38Å; F219-F234 AromaticContact CE2-CD2 3.8Å; F219-F234 HydrophobicContact CE2-CD2 3.8Å; F219-F234 HydrophobicContact CG-CB 4.43Å; F219-F234 HydrophobicContact CZ-CB 4.47Å; F219-F234 AromaticContact CZ-CD2 3.9Å; F219-F234 HydrophobicContact CZ-CD2 3.9Å; V230-F234 PolarHBondContact O-N 3.23Å; E231-F234 WeakPolarHBondContact O-CB 3.49Å; E231-F234 PolarHBondContact O-N 2.81Å; Q232-F234 PolarHBondContact O-N 3.38Å; F234-H236 PolarHBondContact O-N 3.4Å; F234-Q237 PolarHBondContact O-N 3.32Å; F234-L238 HydrophobicContact CE1-CD2 3.98Å; F234-L238 HydrophobicContact CE2-CB 4.27Å; F234-L238 HydrophobicContact CE2-CD2 3.78Å; F234-L238 HydrophobicContact CZ-CB 4.35Å; F234-L238 HydrophobicContact CZ-CD2 3.29Å; F234-L238 HydrophobicContact CZ-CG 4.42Å; F234-L238 WeakPolarHBondContact O-CB 3.43Å; F234-L238 PolarHBondContact O-N 3.11Å; F234-V252 HydrophobicContact CZ-CG1 4.43Å; F234-L254 HydrophobicContact CD1-CD1 4.3Å; F234-L254 HydrophobicContact CD2-CD2 4.47Å; F234-L254 HydrophobicContact CE1-CD1 3.81Å; F234-L254 HydrophobicContact CE1-CD2 3.91Å; F234-L254 HydrophobicContact CE2-CD2 3.83Å; F234-L254 HydrophobicContact CZ-CD1 4.24Å; F234-L254 HydrophobicContact CZ-CD2 3.5Å; F234-L254 VanDerWaalsContact CZ-CD2 3.5Å; F234-L254 HydrophobicContact CZ-CG 4.47Å; F234-L286 HydrophobicContact CD1-CD2 3.99Å; F234-L286 HydrophobicContact CE1-CD2 4.07Å; F234-M304 HydrophobicContact CE1-CE 4.33Å
235	Y	92.2	Very high	84.4	Confident	51 Å²	51	51.1 Å²	51.1	20%	0.2	25%	0.252	C	S	.	.	H	α-helix	trans	-51.2	-54.6	179.9	170.2	-96	0	0	0	112.1	E231 Q232 Q237 L238 M239 C289 Q292	E231-Y235 WeakPolarHBondContact O-CB 3.46Å; E231-Y235 PolarHBondContact O-N 2.93Å; Q232-Y235 PolarHBondContact O-N 3.45Å; Y235-Q237 VanDerWaalsContact C-N 3.34Å; Y235-Q237 PolarHBondContact O-N 3.2Å; Y235-L238 PolarHBondContact O-N 3.31Å; Y235-M239 HydrophobicContact CD2-CE 4.18Å; Y235-M239 HydrophobicContact CD2-CG 4.05Å; Y235-M239 HydrophobicContact CE1-CG 4.21Å; Y235-M239 HydrophobicContact CE2-CE 3.84Å; Y235-M239 HydrophobicContact CE2-CG 3.65Å; Y235-M239 HydrophobicContact CE2-SD 4.36Å; Y235-M239 HydrophobicContact CG-CG 4.49Å; Y235-M239 WeakPolarHBondContact O-CB 3.4Å; Y235-M239 WeakPolarHBondContact O-CG 3.37Å; Y235-M239 PolarHBondContact O-N 2.81Å; Y235-C289 HydrophobicContact CD2-CB 3.69Å; Y235-C289 HydrophobicContact CE2-CB 4.2Å; Y235-Q292 PolarHBondContact OH-OE1 3.28Å
236	H	88.9	Confident	84.4	Confident	109 Å²	109	53.8 Å²	53.8	51%	0.505	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-45.8	-178	-70.3	89.4	0	0	0	111.2	Q232 F234 L238 M239 D240	Q232-H236 PolarHBondContact O-N 2.73Å; Q232-H236 PolarHBondContact O-ND1 3.38Å; F234-H236 PolarHBondContact O-N 3.4Å; H236-L238 PolarHBondContact O-N 3.27Å; H236-M239 PolarHBondContact O-N 3.06Å; H236-D240 WeakPolarHBondContact O-CB 3.27Å; H236-D240 PolarHBondContact O-N 2.63Å
237	Q	87.9	Confident	84.6	Confident	42 Å²	42	51.7 Å²	51.7	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-68.1	-35.5	179.5	-72.8	-175.6	58.6	0	0	112.8	F156 F219 K233 F234 Y235 A241	F156-Q237 VanDerWaalsContact CE2-O 3.29Å; F156-Q237 WeakPolarHBondContact CE2-O 3.4Å; F219-Q237 HydrophobicContact CE1-CB 4.08Å; F219-Q237 HydrophobicContact CE1-CG 4.37Å; K233-Q237 WeakPolarHBondContact O-CG 3.34Å; K233-Q237 PolarHBondContact O-N 3.21Å; K233-Q237 PolarHBondContact O-NE2 3.39Å; F234-Q237 PolarHBondContact O-N 3.32Å; Y235-Q237 VanDerWaalsContact C-N 3.34Å; Y235-Q237 PolarHBondContact O-N 3.2Å; Q237-A241 WeakPolarHBondContact O-CB 3.43Å; Q237-A241 PolarHBondContact O-N 3.07Å
238	L	90.4	Very high	84.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-47.7	175.6	-172.4	52.6	0	0	0	112.2	F156 L208 F234 Y235 H236 D240 A241 I242 M247 I293	F156-L238 HydrophobicContact CE2-CB 4.26Å; F156-L238 HydrophobicContact CE2-CD1 3.79Å; F156-L238 HydrophobicContact CZ-CB 3.88Å; F156-L238 HydrophobicContact CZ-CD1 3.62Å; F156-L238 HydrophobicContact CZ-CG 4.3Å; L208-L238 HydrophobicContact CD1-CD1 4.28Å; F234-L238 HydrophobicContact CE1-CD2 3.98Å; F234-L238 HydrophobicContact CE2-CB 4.27Å; F234-L238 HydrophobicContact CE2-CD2 3.78Å; F234-L238 HydrophobicContact CZ-CB 4.35Å; F234-L238 HydrophobicContact CZ-CD2 3.29Å; F234-L238 HydrophobicContact CZ-CG 4.42Å; F234-L238 WeakPolarHBondContact O-CB 3.43Å; F234-L238 PolarHBondContact O-N 3.11Å; Y235-L238 PolarHBondContact O-N 3.31Å; H236-L238 PolarHBondContact O-N 3.27Å; L238-D240 VanDerWaalsContact C-N 3.33Å; L238-D240 PolarHBondContact O-N 2.9Å; L238-A241 WeakPolarHBondContact O-CB 3.39Å; L238-A241 PolarHBondContact O-N 2.83Å; L238-A241 VanDerWaalsContact O-N 3.12Å; L238-I242 HydrophobicContact CD1-CD1 3.84Å; L238-I242 HydrophobicContact CD1-CG1 4.16Å; L238-I242 HydrophobicContact CG-CD1 3.82Å; L238-I242 WeakPolarHBondContact O-CG1 3.45Å; L238-I242 PolarHBondContact O-N 3.48Å; L238-M247 HydrophobicContact CD1-CE 4.16Å; L238-I293 HydrophobicContact CD2-CD1 3.49Å; L238-I293 VanDerWaalsContact CD2-CD1 3.49Å; L238-I293 HydrophobicContact CD2-CG1 4.18Å; L238-I293 HydrophobicContact CG-CD1 4.34Å
239	M	89.6	Confident	85.1	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-63.7	-40	178.1	-69.1	-59.6	148.7	0	0	112.1	Y235 H236 A241 I242 A243 C289 Q292 I293	Y235-M239 HydrophobicContact CD2-CE 4.18Å; Y235-M239 HydrophobicContact CD2-CG 4.05Å; Y235-M239 HydrophobicContact CE1-CG 4.21Å; Y235-M239 HydrophobicContact CE2-CE 3.84Å; Y235-M239 HydrophobicContact CE2-CG 3.65Å; Y235-M239 HydrophobicContact CE2-SD 4.36Å; Y235-M239 HydrophobicContact CG-CG 4.49Å; Y235-M239 WeakPolarHBondContact O-CB 3.4Å; Y235-M239 WeakPolarHBondContact O-CG 3.37Å; Y235-M239 PolarHBondContact O-N 2.81Å; H236-M239 PolarHBondContact O-N 3.06Å; M239-A241 VanDerWaalsContact C-N 3.29Å; M239-A241 PolarHBondContact O-N 3.16Å; M239-I242 PolarHBondContact O-N 3.18Å; M239-A243 VanDerWaalsContact O-CB 3.29Å; M239-A243 WeakPolarHBondContact O-CB 3.43Å; M239-A243 PolarHBondContact O-N 2.85Å; M239-C289 HydrophobicContact CE-CB 4.25Å; M239-C289 WeakPolarHBondContact CE-O 3.33Å; M239-C289 WeakPolarHBondContact CE-SG 3.49Å; M239-Q292 HydrophobicContact CE-CB 3.74Å; M239-Q292 HydrophobicContact SD-CB 4.02Å; M239-I293 HydrophobicContact CE-CG1 3.73Å
240	D	86	Confident	85.3	Confident	93 Å²	93	45.9 Å²	45.9	50%	0.497	24%	0.238	S	C	.	.	H	α-helix	trans	-61.2	-39	173.2	-75.2	-14.2	0	0	0	111.7	A155 H236 L238 N244	A155-D240 HydrophobicContact CB-CB 4.35Å; H236-D240 WeakPolarHBondContact O-CB 3.27Å; H236-D240 PolarHBondContact O-N 2.63Å; L238-D240 VanDerWaalsContact C-N 3.33Å; L238-D240 PolarHBondContact O-N 2.9Å; D240-N244 WeakPolarHBondContact O-CB 2.98Å; D240-N244 PolarHBondContact O-N 3.06Å; D240-N244 PolarHBondContact O-ND2 3.09Å
241	A	82.9	Confident	85.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-68.9	-47.1	178.4	0	0	0	0	0	112.3	A155 F156 Q237 L238 M239 A243 N244 F245 M247	A155-A241 HydrophobicContact CB-CB 3.74Å; F156-A241 HydrophobicContact CD2-CB 3.27Å; F156-A241 HydrophobicContact CE2-CB 3.35Å; Q237-A241 WeakPolarHBondContact O-CB 3.43Å; Q237-A241 PolarHBondContact O-N 3.07Å; L238-A241 WeakPolarHBondContact O-CB 3.39Å; L238-A241 PolarHBondContact O-N 2.83Å; L238-A241 VanDerWaalsContact O-N 3.12Å; M239-A241 VanDerWaalsContact C-N 3.29Å; M239-A241 PolarHBondContact O-N 3.16Å; A241-A243 VanDerWaalsContact C-N 3.29Å; A241-A243 PolarHBondContact O-N 3.3Å; A241-N244 PolarHBondContact O-N 2.86Å; A241-N244 VanDerWaalsContact O-N 3.12Å; A241-F245 WeakPolarHBondContact O-CB 3.45Å; A241-F245 WeakPolarHBondContact O-CD2 3.37Å; A241-F245 PolarHBondContact O-N 3.48Å; A241-M247 HydrophobicContact CB-CE 3.83Å
242	I	84.7	Confident	85.8	Confident	16 Å²	16	48.6 Å²	48.6	8%	0.082	25%	0.25	C	S	.	.	H	α-helix	trans	-64.1	-37.3	179.9	-67.5	163.5	0	0	0	111.1	L238 M239 N244 M247 I293 R296 T297	L238-I242 HydrophobicContact CD1-CD1 3.84Å; L238-I242 HydrophobicContact CD1-CG1 4.16Å; L238-I242 HydrophobicContact CG-CD1 3.82Å; L238-I242 WeakPolarHBondContact O-CG1 3.45Å; L238-I242 PolarHBondContact O-N 3.48Å; M239-I242 PolarHBondContact O-N 3.18Å; I242-N244 VanDerWaalsContact C-N 3.26Å; I242-N244 PolarHBondContact O-N 2.86Å; I242-M247 HydrophobicContact CG1-CE 3.65Å; I242-I293 HydrophobicContact CD1-CB 4.06Å; I242-I293 HydrophobicContact CD1-CG1 3.55Å; I242-I293 HydrophobicContact CD1-CG2 3.74Å; I242-R296 HydrophobicContact CG2-CB 3.85Å; I242-T297 HydrophobicContact CG2-CG2 3.97Å
243	A	83.3	Confident	86.1	Confident	69 Å²	69	48.3 Å²	48.3	57%	0.57	25%	0.249	S	C	*	.	H	α-helix	trans	-65.7	-30.1	176.6	0	0	0	0	0	112.8	M239 A241	M239-A243 VanDerWaalsContact O-CB 3.29Å; M239-A243 WeakPolarHBondContact O-CB 3.43Å; M239-A243 PolarHBondContact O-N 2.85Å; A241-A243 VanDerWaalsContact C-N 3.29Å; A241-A243 PolarHBondContact O-N 3.3Å
244	N	77.6	Confident	86.5	Confident	98 Å²	98	45.6 Å²	45.6	52%	0.524	24%	0.237	S	C	.	.	H	α-helix	trans	-99.2	-12.9	-175.6	-72.6	-59.3	0	0	0	114	D240 A241 I242	D240-N244 WeakPolarHBondContact O-CB 2.98Å; D240-N244 PolarHBondContact O-N 3.06Å; D240-N244 PolarHBondContact O-ND2 3.09Å; A241-N244 PolarHBondContact O-N 2.86Å; A241-N244 VanDerWaalsContact O-N 3.12Å; I242-N244 VanDerWaalsContact C-N 3.26Å; I242-N244 PolarHBondContact O-N 2.86Å
245	F	68.7	Low	86.6	Confident	50 Å²	50	46.1 Å²	46.1	22%	0.219	24%	0.24	C	C	.	.	S	Bend	trans	-145.9	138.9	-170.2	-61.6	-74	0	0	0	113.4	E151 R154 A241 M247	E151-F245 HydrophobicContact CG-CE1 4.33Å; R154-F245 HydrophobicContact CB-CE2 3.46Å; R154-F245 VanDerWaalsContact CB-CE2 3.46Å; R154-F245 HydrophobicContact CB-CZ 3.43Å; R154-F245 VanDerWaalsContact CB-CZ 3.43Å; R154-F245 HydrophobicContact CG-CE2 4.37Å; R154-F245 HydrophobicContact CG-CZ 3.92Å; A241-F245 WeakPolarHBondContact O-CB 3.45Å; A241-F245 WeakPolarHBondContact O-CD2 3.37Å; A241-F245 PolarHBondContact O-N 3.48Å; F245-M247 HydrophobicContact CB-CG 4.26Å; F245-M247 PolarHBondContact O-N 2.92Å
246	T	73.3	Confident	86.7	Confident	146 Å²	146	43.7 Å²	43.7	90%	0.896	23%	0.23	S	C	*	.			trans	-76	103.1	165.6	-47.3	0	0	0	0	108.9
247	M	72.8	Confident	86.9	Confident	32 Å²	32	38.8 Å²	38.8	16%	0.158	21%	0.208	C	C	.	.			trans	-109.3	110.6	172.4	-65.1	-169.7	-63.7	0	0	108.8	L238 A241 I242 F245 L249	L238-M247 HydrophobicContact CD1-CE 4.16Å; A241-M247 HydrophobicContact CB-CE 3.83Å; I242-M247 HydrophobicContact CG1-CE 3.65Å; F245-M247 HydrophobicContact CB-CG 4.26Å; F245-M247 PolarHBondContact O-N 2.92Å; M247-L249 HydrophobicContact CB-CD2 4.34Å; M247-L249 HydrophobicContact CB-CG 3.99Å; M247-L249 HydrophobicContact CE-CD1 4.35Å; M247-L249 PolarHBondContact O-N 3.39Å
248	P	81.5	Confident	87	Confident	40 Å²	40	36.9 Å²	36.9	26%	0.26	20%	0.199	S	C	.	.			trans	-75.5	70.5	175.5	32.8	-34.5	0	0	0	109.7	T210 E211 R299	T210-P248 WeakPolarHBondContact CA-O 2.95Å; T210-P248 WeakPolarHBondContact CB-O 3.38Å; E211-P248 HydrophobicContact CG-CB 4.13Å; E211-P248 HydrophobicContact CG-CG 4.36Å; P248-R299 VanDerWaalsContact CB-NH2 3.34Å
249	L	88.5	Confident	87	Confident	1 Å²	1	37 Å²	37	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.3	179.4	-66.4	172.9	0	0	0	109.7	L208 T210 M247 I293 L302	L208-L249 HydrophobicContact CB-CD2 3.91Å; T210-L249 HydrophobicContact CG2-CD2 4.18Å; M247-L249 HydrophobicContact CB-CD2 4.34Å; M247-L249 HydrophobicContact CB-CG 3.99Å; M247-L249 HydrophobicContact CE-CD1 4.35Å; M247-L249 PolarHBondContact O-N 3.39Å; L249-I293 HydrophobicContact CD1-CG2 3.96Å; L249-L302 HydrophobicContact CB-CD1 3.69Å
250	R	91.7	Very high	87.1	Confident	132 Å²	132	36.8 Å²	36.8	50%	0.498	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-39.1	172.2	-71.5	-171	173.6	174.8	2.1	111.6	T209 E211 Q303	T209-R250 PolarHBondContact O-N 2.93Å; E211-R250 HydrophobicContact CG-CG 4.43Å; E211-R250 IonicContact OE1-CZ 2.95Å; E211-R250 IonicContact OE1-NE 2.54Å; E211-R250 PolarHBondContact OE1-NE 3.5Å; E211-R250 IonicContact OE1-NH2 2.8Å; E211-R250 PolarHBondContact OE1-NH2 3.37Å; R250-Q303 PolarHBondContact O-N 2.87Å
251	E	95.2	Very high	87.1	Confident	57 Å²	57	32.5 Å²	32.5	27%	0.266	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	142	-175.4	179.8	-168.5	-136.2	0	0	110.6	T209 I253 Q303	T209-E251 PolarHBondContact N-O 3.31Å; T209-E251 PolarHBondContact O-N 3.27Å; T209-E251 PolarHBondContact OG1-OE2 2.83Å; E251-I253 HydrophobicContact CG-CD1 4.44Å; E251-I253 HydrophobicContact CG-CG1 3.95Å; E251-Q303 CarbonylContact C-O 3.57Å; E251-Q303 WeakPolarHBondContact CA-O 3.44Å
252	V	95.8	Very high	87.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	116.5	173.4	176.7	0	0	0	0	108.6	Q207 L208 F234 L254 L302 Q303 M304 T305	Q207-V252 CarbonylContact O-C 3.53Å; Q207-V252 WeakPolarHBondContact O-CA 3.41Å; L208-V252 HydrophobicContact CD2-CB 4.25Å; L208-V252 HydrophobicContact CD2-CG1 3.8Å; L208-V252 HydrophobicContact CD2-CG2 3.77Å; F234-V252 HydrophobicContact CZ-CG1 4.43Å; V252-L254 HydrophobicContact CG1-CD2 3.91Å; V252-L254 HydrophobicContact CG1-CG 4.37Å; V252-L302 HydrophobicContact CG2-CD1 4.26Å; V252-Q303 PolarHBondContact N-O 2.75Å; V252-M304 HydrophobicContact CB-CB 4.34Å; V252-M304 HydrophobicContact CB-CG 4.02Å; V252-M304 HydrophobicContact CG1-CE 4.26Å; V252-M304 HydrophobicContact CG1-CG 4.07Å; V252-M304 HydrophobicContact CG1-SD 4.32Å; V252-M304 CarbonylContact O-C 3.2Å; V252-M304 VanDerWaalsContact O-CA 3.25Å; V252-M304 WeakPolarHBondContact O-CA 3.36Å; V252-T305 PolarHBondContact O-N 2.8Å
253	I	96.1	Very high	86.8	Confident	12 Å²	12	33.8 Å²	33.8	6%	0.062	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.7	173.8	-49.2	176.4	0	0	0	109	A206 Q207 E251 Y255 T305 K307	A206-I253 WeakPolarHBondContact CA-O 3.3Å; Q207-I253 HydrophobicContact CB-CB 4.3Å; Q207-I253 PolarHBondContact N-O 3.39Å; Q207-I253 PolarHBondContact O-N 3.33Å; E251-I253 HydrophobicContact CG-CD1 4.44Å; E251-I253 HydrophobicContact CG-CG1 3.95Å; I253-Y255 HydrophobicContact CB-CE2 4.15Å; I253-Y255 HydrophobicContact CG2-CD1 4.11Å; I253-Y255 HydrophobicContact CG2-CD2 4.33Å; I253-Y255 HydrophobicContact CG2-CE1 3.6Å; I253-Y255 HydrophobicContact CG2-CE2 3.78Å; I253-Y255 HydrophobicContact CG2-CG 4.49Å; I253-Y255 VanDerWaalsContact CG2-CZ 3.41Å; I253-T305 CarbonylContact C-O 3.57Å; I253-T305 WeakPolarHBondContact CA-O 3.46Å; I253-K307 HydrophobicContact CG2-CD 4.11Å; I253-K307 HydrophobicContact CG2-CG 4.43Å
254	L	97	Very high	86.1	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.4	174.1	-55.1	-171.2	0	0	0	109.5	L204 A206 F234 V252 L256 L286 M304 T305 V306 K307	L204-L254 HydrophobicContact CD1-CD1 4.39Å; L204-L254 HydrophobicContact CD2-CD2 4.37Å; A206-L254 HydrophobicContact CB-CD2 3.74Å; F234-L254 HydrophobicContact CD1-CD1 4.3Å; F234-L254 HydrophobicContact CD2-CD2 4.47Å; F234-L254 HydrophobicContact CE1-CD1 3.81Å; F234-L254 HydrophobicContact CE1-CD2 3.91Å; F234-L254 HydrophobicContact CE2-CD2 3.83Å; F234-L254 HydrophobicContact CZ-CD1 4.24Å; F234-L254 HydrophobicContact CZ-CD2 3.5Å; F234-L254 VanDerWaalsContact CZ-CD2 3.5Å; F234-L254 HydrophobicContact CZ-CG 4.47Å; V252-L254 HydrophobicContact CG1-CD2 3.91Å; V252-L254 HydrophobicContact CG1-CG 4.37Å; L254-L256 HydrophobicContact CB-CD1 4.1Å; L254-L286 HydrophobicContact CD1-CD1 4.03Å; L254-L286 HydrophobicContact CD1-CD2 3.58Å; L254-L286 HydrophobicContact CD1-CG 4.41Å; L254-M304 HydrophobicContact CD1-CE 3.27Å; L254-M304 HydrophobicContact CD2-CE 4.49Å; L254-M304 HydrophobicContact CG-CE 3.83Å; L254-T305 PolarHBondContact N-O 3.46Å; L254-V306 HydrophobicContact CB-CG2 4.49Å; L254-V306 HydrophobicContact CD1-CG2 4.39Å; L254-K307 PolarHBondContact O-N 2.85Å
255	Y	95.2	Very high	85.4	Confident	11 Å²	11	37.4 Å²	37.4	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.5	174.1	-51.8	-80.4	0	0	0	109.4	L204 V205 Q207 I253 K307 L337 D341 L345	L204-Y255 WeakPolarHBondContact CA-O 3.2Å; V205-Y255 HydrophobicContact CB-CD2 4.29Å; V205-Y255 HydrophobicContact CG1-CD2 4.3Å; V205-Y255 PolarHBondContact N-O 3.41Å; V205-Y255 WeakPolarHBondContact O-CD2 3.31Å; V205-Y255 PolarHBondContact O-N 3.38Å; Q207-Y255 HydrophobicContact CB-CE2 4.01Å; I253-Y255 HydrophobicContact CB-CE2 4.15Å; I253-Y255 HydrophobicContact CG2-CD1 4.11Å; I253-Y255 HydrophobicContact CG2-CD2 4.33Å; I253-Y255 HydrophobicContact CG2-CE1 3.6Å; I253-Y255 HydrophobicContact CG2-CE2 3.78Å; I253-Y255 HydrophobicContact CG2-CG 4.49Å; I253-Y255 VanDerWaalsContact CG2-CZ 3.41Å; Y255-K307 CarbonylContact C-O 3.53Å; Y255-K307 WeakPolarHBondContact CA-O 2.94Å; Y255-K307 HydrophobicContact CD1-CB 3.92Å; Y255-K307 HydrophobicContact CD1-CD 4.05Å; Y255-K307 HydrophobicContact CD1-CG 4.5Å; Y255-K307 HydrophobicContact CE1-CB 4.46Å; Y255-K307 HydrophobicContact CE1-CD 3.72Å; Y255-L337 HydrophobicContact CD1-CD1 3.45Å; Y255-L337 VanDerWaalsContact CD1-CD1 3.45Å; Y255-L337 HydrophobicContact CE1-CD1 4.14Å; Y255-L337 HydrophobicContact CG-CD1 4.32Å; Y255-D341 HydrophobicContact CD1-CB 4.42Å; Y255-D341 HydrophobicContact CE1-CB 3.81Å; Y255-L345 HydrophobicContact CD1-CD1 3.99Å; Y255-L345 HydrophobicContact CD2-CD1 4.34Å; Y255-L345 HydrophobicContact CD2-CD2 3.86Å; Y255-L345 HydrophobicContact CE2-CD2 4.4Å; Y255-L345 HydrophobicContact CG-CD1 3.72Å; Y255-L345 HydrophobicContact CG-CD2 4.1Å; Y255-L345 HydrophobicContact CG-CG 4.44Å
256	L	94.2	Very high	84.6	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.3	178	-59.5	98.9	0	0	0	111.4	F193 L204 E231 L254 T258 P260 V306 K307 F308 L309	F193-L256 VanDerWaalsContact CE1-C 3.43Å; L204-L256 HydrophobicContact CB-CG 4.46Å; L204-L256 HydrophobicContact CD1-CD2 4.11Å; L204-L256 HydrophobicContact CD1-CG 4.31Å; L204-L256 HydrophobicContact CG-CG 4.35Å; E231-L256 HydrophobicContact CG-CD2 4.08Å; L254-L256 HydrophobicContact CB-CD1 4.1Å; L256-T258 VanDerWaalsContact C-N 3.33Å; L256-T258 WeakPolarHBondContact CB-O 3.48Å; L256-P260 HydrophobicContact CD1-CG 4.49Å; L256-P260 HydrophobicContact CD2-CG 4.27Å; L256-V306 HydrophobicContact CD1-CG1 3.7Å; L256-K307 PolarHBondContact N-O 3.36Å; L256-F308 HydrophobicContact CB-CB 4.18Å; L256-F308 VanDerWaalsContact O-CA 3.23Å; L256-F308 WeakPolarHBondContact O-CA 3.38Å; L256-L309 PolarHBondContact O-N 3.23Å
257	P	91.6	Very high	83.8	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.032	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-28.3	172.1	30	-33.4	0	0	0	112	L192 F193 P196 A203 L309 A310	L192-P257 HydrophobicContact CB-CG 4.44Å; L192-P257 VanDerWaalsContact O-CB 3.29Å; L192-P257 WeakPolarHBondContact O-CB 3.41Å; F193-P257 HydrophobicContact CD1-CB 4.24Å; F193-P257 HydrophobicContact CE1-CB 4.45Å; P196-P257 HydrophobicContact CB-CB 4.29Å; P196-P257 WeakPolarHBondContact CB-O 3.4Å; A203-P257 WeakPolarHBondContact O-CD 3.22Å; P257-L309 WeakPolarHBondContact O-CB 2.92Å; P257-A310 PolarHBondContact O-N 3.24Å
258	T	90.4	Very high	83	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	158.5	175.2	50.2	0	0	0	0	111.2	Y197 G199 S201 L256 A310	Y197-T258 WeakPolarHBondContact O-CG2 3.27Å; G199-T258 PolarHBondContact O-OG1 2.76Å; G199-T258 VanDerWaalsContact O-OG1 3.06Å; S201-T258 WeakPolarHBondContact CA-OG1 3.49Å; S201-T258 PolarHBondContact N-OG1 3.43Å; S201-T258 PolarHBondContact OG-O 3.3Å; S201-T258 PolarHBondContact OG-OG1 2.8Å; L256-T258 VanDerWaalsContact C-N 3.33Å; L256-T258 WeakPolarHBondContact CB-O 3.48Å; T258-A310 CarbonylContact C-O 3.52Å; T258-A310 VanDerWaalsContact CA-O 3.23Å; T258-A310 WeakPolarHBondContact CA-O 3.36Å; T258-A310 HydrophobicContact CG2-CB 4.33Å
259	S	90.7	Very high	81.8	Confident	4 Å²	4	44 Å²	44	3%	0.028	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-62.5	144.2	174.6	71.5	0	0	0	0	110.3	C261 F308 A310 Y312	S259-C261 PolarHBondContact O-N 3.44Å; S259-F308 VanDerWaalsContact CB-CE2 3.46Å; S259-A310 PolarHBondContact N-O 2.81Å; S259-Y312 VanDerWaalsContact OG-CB 3.32Å; S259-Y312 WeakPolarHBondContact OG-CB 3.25Å; S259-Y312 PolarHBondContact OG-N 2.88Å
260	P	91.3	Very high	80.2	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.032	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-54	141.8	168.4	-23.3	33.3	0	0	0	110.8	E231 L256 C282 A283 L286 V306 M327	E231-P260 WeakPolarHBondContact OE1-CA 3.23Å; L256-P260 HydrophobicContact CD1-CG 4.49Å; L256-P260 HydrophobicContact CD2-CG 4.27Å; P260-C282 HydrophobicContact CB-CB 3.82Å; P260-A283 HydrophobicContact CB-CB 4.23Å; P260-L286 HydrophobicContact CB-CD1 4.33Å; P260-L286 HydrophobicContact CG-CD1 3.82Å; P260-V306 HydrophobicContact CG-CG1 4.25Å; P260-M327 HydrophobicContact CG-CE 4.44Å; P260-M327 HydrophobicContact CG-SD 4.35Å
261	C	86.7	Confident	78.3	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.014	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-67.6	147.5	175.2	66.6	0	0	0	0	110.9	H229 S259 C282 A283 Y312	H229-C261 PolarHBondContact ND1-SG 3.17Å; S259-C261 PolarHBondContact O-N 3.44Å; C261-C282 PolarHBondContact O-N 2.88Å; C261-A283 PolarHBondContact O-N 2.81Å; C261-Y312 HydrophobicContact CB-CD1 4.08Å; C261-Y312 HydrophobicContact CB-CD2 4.03Å; C261-Y312 HydrophobicContact CB-CE1 4.06Å; C261-Y312 HydrophobicContact CB-CE2 3.94Å; C261-Y312 HydrophobicContact CB-CG 4.16Å
262	F	85	Confident	76.2	Confident	36 Å²	36	47.3 Å²	47.3	16%	0.158	26%	0.259	C	S	.	.			trans	-132.8	134.6	168.6	-173.5	-89.7	0	0	0	108.9	A281 A283 Y319 Q322 G323	F262-A281 HydrophobicContact CD2-CB 4.33Å; F262-A283 HydrophobicContact CB-CB 4.34Å; F262-A283 HydrophobicContact CD2-CB 4.04Å; F262-Y319 WeakPolarHBondContact CB-O 3.42Å; F262-Q322 HydrophobicContact CD1-CB 3.43Å; F262-Q322 VanDerWaalsContact CD1-CB 3.43Å; F262-Q322 HydrophobicContact CD1-CG 4.5Å; F262-Q322 HydrophobicContact CE1-CB 3.49Å; F262-Q322 VanDerWaalsContact CE1-CB 3.49Å; F262-Q322 HydrophobicContact CE1-CG 4.3Å; F262-Q322 HydrophobicContact CG-CB 4.17Å; F262-Q322 HydrophobicContact CZ-CB 4.25Å; F262-G323 VanDerWaalsContact CB-CA 3.5Å
263	H	75.4	Confident	74.3	Confident	8 Å²	8	48.2 Å²	48.2	4%	0.037	26%	0.264	C	S	.	.			trans	-162.5	157.4	179.9	48.6	85.4	0	0	0	110.4	L273 C276 V278 I280 A281	H263-L273 HydrophobicContact CB-CD1 3.04Å; H263-L273 HydrophobicContact CB-CD2 4.29Å; H263-L273 HydrophobicContact CB-CG 4.23Å; H263-C276 PolarHBondContact NE2-SG 3.29Å; H263-V278 PolarHBondContact CE1-O 3.39Å; H263-V278 PolarHBondContact NE2-O 3.42Å; H263-I280 VanDerWaalsContact CE1-C 3.42Å; H263-A281 PolarHBondContact CE1-N 3.29Å
264	Q	68.8	Low	72.3	Confident	136 Å²	136	54 Å²	54	64%	0.636	30%	0.295	S	S	*	.			trans	-74.2	152.3	169	-64.7	178	-7.8	0	0	108.6	C266	Q264-C266 PolarHBondContact O-N 2.92Å; Q264-C266 PolarHBondContact O-SG 2.74Å; Q264-C266 VanDerWaalsContact O-SG 3.34Å
265	D	62.4	Low	70.6	Confident	107 Å²	107	58.9 Å²	58.9	57%	0.572	32%	0.318	S	S	*	.			trans	-63.7	88.7	168.2	-69.3	-26.3	0	0	0	107.3
266	C	53.3	Low	69.3	Low	30 Å²	30	59 Å²	59	20%	0.203	32%	0.32	C	S	.	.			trans	-93.6	115	-178.8	-63	0	0	0	0	108.6	Q264 P268 L269 C270	Q264-C266 PolarHBondContact O-N 2.92Å; Q264-C266 PolarHBondContact O-SG 2.74Å; Q264-C266 VanDerWaalsContact O-SG 3.34Å; C266-P268 CarbonylContact C-O 3.55Å; C266-P268 VanDerWaalsContact C-O 3.27Å; C266-P268 WeakPolarHBondContact CB-O 3.39Å; C266-P268 CarbonylContact O-C 3.57Å; C266-L269 WeakPolarHBondContact O-CA 3.43Å; C266-L269 PolarHBondContact O-N 2.5Å; C266-C270 HydrophobicContact CB-CB 3.93Å; C266-C270 VanDerWaalsContact SG-SG 3.68Å
267	D	56.4	Low	68.1	Low	159 Å²	159	62.5 Å²	62.5	85%	0.85	34%	0.342	S	S	*	.	S	Bend	trans	-117.1	110.4	164.1	-167.4	6.6	0	0	0	109.5
268	P	56	Low	67.1	Low	110 Å²	110	62.9 Å²	62.9	71%	0.714	34%	0.344	S	S	*	.	S	Bend	cis	-73.1	160	-0.3	30.4	-33.9	0	0	0	113.1	C266 C270	C266-P268 CarbonylContact C-O 3.55Å; C266-P268 VanDerWaalsContact C-O 3.27Å; C266-P268 WeakPolarHBondContact CB-O 3.39Å; C266-P268 CarbonylContact O-C 3.57Å; P268-C270 PolarHBondContact O-N 3.01Å
269	L	57	Low	66.2	Low	107 Å²	107	66.7 Å²	66.7	56%	0.56	36%	0.364	S	S	*	.			trans	-45.6	126	178.1	-69.7	165.6	0	0	0	109.9	C266 D271	C266-L269 WeakPolarHBondContact O-CA 3.43Å; C266-L269 PolarHBondContact O-N 2.5Å; L269-D271 PolarHBondContact O-N 3.35Å
270	C	54.2	Low	65.6	Low	29 Å²	29	70.5 Å²	70.5	20%	0.196	38%	0.383	C	S	.	.			trans	-67.9	127.9	-179	60.5	0	0	0	0	110.4	C266 P268 V272 L273	C266-C270 HydrophobicContact CB-CB 3.93Å; C266-C270 VanDerWaalsContact SG-SG 3.68Å; P268-C270 PolarHBondContact O-N 3.01Å; C270-V272 PolarHBondContact O-N 3.38Å; C270-L273 PolarHBondContact O-N 3.04Å; C270-L273 WeakPolarHBondContact SG-CD1 3.4Å; C270-L273 VanDerWaalsContact SG-CG 3.56Å
271	D	50.8	Low	65.3	Low	141 Å²	141	70.3 Å²	70.3	75%	0.754	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-53.7	-23.3	174.7	-63	-25.3	0	0	0	112.5	L269 L273 D274	L269-D271 PolarHBondContact O-N 3.35Å; D271-L273 PolarHBondContact O-N 2.94Å; D271-L273 VanDerWaalsContact O-N 3.1Å; D271-D274 VanDerWaalsContact O-CG 3.3Å; D271-D274 PolarHBondContact O-N 3.46Å
272	V	52.3	Low	65.5	Low	89 Å²	89	70.2 Å²	70.2	54%	0.539	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-63.5	-17.2	178.1	-169.7	0	0	0	0	112.7	C270 Y319	C270-V272 PolarHBondContact O-N 3.38Å; V272-Y319 HydrophobicContact CG1-CE2 3.61Å
273	L	56.1	Low	65.9	Low	19 Å²	19	68.5 Å²	68.5	10%	0.099	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-111.3	56.3	174.4	-57.4	163.3	0	0	0	110.5	H263 C270 D271 H275 C276 Y312	H263-L273 HydrophobicContact CB-CD1 3.04Å; H263-L273 HydrophobicContact CB-CD2 4.29Å; H263-L273 HydrophobicContact CB-CG 4.23Å; C270-L273 PolarHBondContact O-N 3.04Å; C270-L273 WeakPolarHBondContact SG-CD1 3.4Å; C270-L273 VanDerWaalsContact SG-CG 3.56Å; D271-L273 PolarHBondContact O-N 2.94Å; D271-L273 VanDerWaalsContact O-N 3.1Å; L273-H275 PolarHBondContact O-N 3.16Å; L273-C276 HydrophobicContact CB-CB 4.03Å; L273-C276 PolarHBondContact O-N 3.18Å; L273-Y312 HydrophobicContact CD2-CE1 4.03Å
274	D	54.2	Low	66.6	Low	133 Å²	133	71.2 Å²	71.2	71%	0.711	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.8	-14.6	176.5	-75.4	-42.5	0	0	0	115.9	D271	D271-D274 VanDerWaalsContact O-CG 3.3Å; D271-D274 PolarHBondContact O-N 3.46Å
275	H	60.2	Low	67.7	Low	104 Å²	104	65.2 Å²	65.2	48%	0.481	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-4.2	-173.7	-53.6	-34.3	0	0	0	115.1	L273 Y312	L273-H275 PolarHBondContact O-N 3.16Å; H275-Y312 VanDerWaalsContact C-OH 3.26Å
276	C	68.1	Low	69.2	Low	13 Å²	13	60.2 Å²	60.2	9%	0.088	33%	0.333	C	S	.	.			trans	-90	115.4	179.5	-165.7	0	0	0	0	109.5	H229 H263 L273 V278 Y312	H229-C276 PolarHBondContact CE1-SG 3.1Å; H263-C276 PolarHBondContact NE2-SG 3.29Å; L273-C276 HydrophobicContact CB-CB 4.03Å; L273-C276 PolarHBondContact O-N 3.18Å; C276-V278 VanDerWaalsContact C-N 3.35Å; C276-V278 PolarHBondContact SG-O 2.94Å; C276-Y312 VanDerWaalsContact CA-OH 3.28Å; C276-Y312 WeakPolarHBondContact CA-OH 3.48Å; C276-Y312 VanDerWaalsContact CB-OH 3.23Å; C276-Y312 WeakPolarHBondContact CB-OH 3.44Å; C276-Y312 PolarHBondContact N-OH 2.93Å
277	T	68.4	Low	71.2	Confident	74 Å²	74	59 Å²	59	45%	0.454	33%	0.326	S	S	.	.			trans	-94.8	7.8	-179.5	44	0	0	0	0	112.9	T226	T226-T277 WeakPolarHBondContact O-CB 3.31Å; T226-T277 PolarHBondContact O-OG1 3.47Å
278	V	72.1	Confident	73	Confident	13 Å²	13	54.8 Å²	54.8	8%	0.079	30%	0.302	C	S	.	.			trans	-131.7	139.2	-173.2	-165.4	0	0	0	0	111.6	R227 H229 H263 C276 I280	R227-V278 WeakPolarHBondContact O-CG2 3.42Å; H229-V278 WeakPolarHBondContact CD2-CG2 3.45Å; H263-V278 PolarHBondContact CE1-O 3.39Å; H263-V278 PolarHBondContact NE2-O 3.42Å; C276-V278 VanDerWaalsContact C-N 3.35Å; C276-V278 PolarHBondContact SG-O 2.94Å; V278-I280 VanDerWaalsContact C-N 3.26Å; V278-I280 PolarHBondContact O-N 2.88Å
279	N	71.2	Confident	74.8	Confident	82 Å²	82	49.5 Å²	49.5	44%	0.439	27%	0.268	S	S	.	.	S	Bend	trans	-88.6	25.5	-178.6	-162.4	23.9	0	0	0	113.6
280	I	78.7	Confident	76.6	Confident	84 Å²	84	45 Å²	45	43%	0.431	24%	0.244	S	C	.	.	S	Bend	trans	-131.7	121.5	176	-59.5	173.1	0	0	0	107.4	H263 V278 C282 A285	H263-I280 VanDerWaalsContact CE1-C 3.42Å; V278-I280 VanDerWaalsContact C-N 3.26Å; V278-I280 PolarHBondContact O-N 2.88Å; I280-C282 PolarHBondContact O-N 3.34Å; I280-A285 HydrophobicContact CG2-CB 4.07Å
281	A	85.1	Confident	78.5	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	26%	0.26	C	S	.	.			trans	-62.2	117.7	173.3	0	0	0	0	0	110.4	F262 H263 A283 E284 A285	F262-A281 HydrophobicContact CD2-CB 4.33Å; H263-A281 PolarHBondContact CE1-N 3.29Å; A281-A283 VanDerWaalsContact C-N 3.31Å; A281-A283 PolarHBondContact O-N 3.08Å; A281-E284 HydrophobicContact CB-CB 4.04Å; A281-E284 PolarHBondContact O-N 3.27Å; A281-A285 PolarHBondContact O-N 3.19Å
282	C	90.7	Very high	80.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-37.9	-179	-74	0	0	0	0	112.4	H229 E231 P260 C261 I280 A285 L286	H229-C282 WeakPolarHBondContact CB-SG 3.37Å; H229-C282 PolarHBondContact ND1-SG 3.22Å; E231-C282 HydrophobicContact CB-CB 4.03Å; E231-C282 HydrophobicContact CG-CB 3.88Å; E231-C282 PolarHBondContact OE2-SG 3.29Å; P260-C282 HydrophobicContact CB-CB 3.82Å; C261-C282 PolarHBondContact O-N 2.88Å; I280-C282 PolarHBondContact O-N 3.34Å; C282-A285 PolarHBondContact O-N 3.12Å; C282-L286 WeakPolarHBondContact O-CG 3.41Å; C282-L286 PolarHBondContact O-N 3.37Å
283	A	92.3	Very high	82.4	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-41.7	175.9	0	0	0	0	0	112.4	P260 C261 F262 A281 L286 S287 M327	P260-A283 HydrophobicContact CB-CB 4.23Å; C261-A283 PolarHBondContact O-N 2.81Å; F262-A283 HydrophobicContact CB-CB 4.34Å; F262-A283 HydrophobicContact CD2-CB 4.04Å; A281-A283 VanDerWaalsContact C-N 3.31Å; A281-A283 PolarHBondContact O-N 3.08Å; A283-L286 PolarHBondContact O-N 2.82Å; A283-S287 PolarHBondContact O-N 2.83Å; A283-S287 PolarHBondContact O-OG 3.34Å; A283-M327 HydrophobicContact CB-CE 4.44Å; A283-M327 HydrophobicContact CB-CG 4.1Å; A283-M327 HydrophobicContact CB-SD 4.29Å
284	E	90.7	Very high	84.1	Confident	64 Å²	64	44.6 Å²	44.6	30%	0.299	22%	0.222	S	C	.	.	H	α-helix	trans	-67.8	-40.9	174.2	-168.7	-174.3	170.9	0	0	111	A281 L286 S287 I288	A281-E284 HydrophobicContact CB-CB 4.04Å; A281-E284 PolarHBondContact O-N 3.27Å; E284-L286 VanDerWaalsContact C-N 3.33Å; E284-L286 PolarHBondContact O-N 2.93Å; E284-S287 WeakPolarHBondContact O-CA 3.15Å; E284-S287 VanDerWaalsContact O-CB 3.31Å; E284-S287 WeakPolarHBondContact O-CB 3.21Å; E284-S287 PolarHBondContact O-N 3.23Å; E284-S287 VanDerWaalsContact O-N 3.09Å; E284-I288 HydrophobicContact CG-CD1 4.13Å; E284-I288 WeakPolarHBondContact O-CG1 3.23Å; E284-I288 PolarHBondContact O-N 2.81Å
285	A	90.7	Very high	85.9	Confident	11 Å²	11	43 Å²	43	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-40.1	177.4	0	0	0	0	0	112.5	I280 A281 C282 I288 C289	I280-A285 HydrophobicContact CG2-CB 4.07Å; A281-A285 PolarHBondContact O-N 3.19Å; C282-A285 PolarHBondContact O-N 3.12Å; A285-I288 PolarHBondContact O-N 2.82Å; A285-C289 VanDerWaalsContact O-CB 3.3Å; A285-C289 WeakPolarHBondContact O-CB 3.28Å; A285-C289 PolarHBondContact O-N 2.78Å
286	L	95.5	Very high	87.2	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-66.7	-37.7	173.3	-68.9	-179.5	0	0	0	111.8	E231 F234 L254 P260 C282 A283 E284 C289 Y290 M304 V306 M327	E231-L286 HydrophobicContact CB-CD2 4.18Å; E231-L286 HydrophobicContact CB-CG 4.35Å; E231-L286 HydrophobicContact CG-CD1 4.19Å; E231-L286 HydrophobicContact CG-CD2 4.47Å; E231-L286 HydrophobicContact CG-CG 4.39Å; F234-L286 HydrophobicContact CD1-CD2 3.99Å; F234-L286 HydrophobicContact CE1-CD2 4.07Å; L254-L286 HydrophobicContact CD1-CD1 4.03Å; L254-L286 HydrophobicContact CD1-CD2 3.58Å; L254-L286 HydrophobicContact CD1-CG 4.41Å; P260-L286 HydrophobicContact CB-CD1 4.33Å; P260-L286 HydrophobicContact CG-CD1 3.82Å; C282-L286 WeakPolarHBondContact O-CG 3.41Å; C282-L286 PolarHBondContact O-N 3.37Å; A283-L286 PolarHBondContact O-N 2.82Å; E284-L286 VanDerWaalsContact C-N 3.33Å; E284-L286 PolarHBondContact O-N 2.93Å; L286-C289 VanDerWaalsContact O-CB 3.22Å; L286-C289 WeakPolarHBondContact O-CB 3.1Å; L286-C289 PolarHBondContact O-N 3.05Å; L286-Y290 PolarHBondContact O-N 3.21Å; L286-M304 HydrophobicContact CD2-CE 4.31Å; L286-V306 HydrophobicContact CD1-CG2 4.29Å; L286-M327 HydrophobicContact CD1-SD 4.37Å
287	S	95.3	Very high	88.1	Confident	6 Å²	6	45.7 Å²	45.7	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-43.7	174.7	-60.2	0	0	0	0	112.4	A283 E284 K291 S326 M327	A283-S287 PolarHBondContact O-N 2.83Å; A283-S287 PolarHBondContact O-OG 3.34Å; E284-S287 WeakPolarHBondContact O-CA 3.15Å; E284-S287 VanDerWaalsContact O-CB 3.31Å; E284-S287 WeakPolarHBondContact O-CB 3.21Å; E284-S287 PolarHBondContact O-N 3.23Å; E284-S287 VanDerWaalsContact O-N 3.09Å; S287-K291 PolarHBondContact O-N 3.03Å; S287-S326 PolarHBondContact OG-O 3.24Å; S287-M327 WeakPolarHBondContact OG-CA 3.33Å
288	I	93	Very high	88.9	Confident	69 Å²	69	45 Å²	45	35%	0.354	24%	0.238	S	C	.	.	H	α-helix	trans	-64.8	-43	172.9	-66.5	166.3	0	0	0	110.4	E284 A285 Y290 K291 Q292	E284-I288 HydrophobicContact CG-CD1 4.13Å; E284-I288 WeakPolarHBondContact O-CG1 3.23Å; E284-I288 PolarHBondContact O-N 2.81Å; A285-I288 PolarHBondContact O-N 2.82Å; I288-Y290 PolarHBondContact O-N 3.2Å; I288-K291 PolarHBondContact O-N 3.47Å; I288-Q292 HydrophobicContact CG2-CG 4.22Å; I288-Q292 WeakPolarHBondContact O-CB 2.9Å; I288-Q292 WeakPolarHBondContact O-CG 3.38Å; I288-Q292 PolarHBondContact O-N 3.36Å
289	C	94.3	Very high	89.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-52.9	-54.6	176.5	-166.2	0	0	0	0	110.4	Y235 M239 A285 L286 K291 Q292 I293	Y235-C289 HydrophobicContact CD2-CB 3.69Å; Y235-C289 HydrophobicContact CE2-CB 4.2Å; M239-C289 HydrophobicContact CE-CB 4.25Å; M239-C289 WeakPolarHBondContact CE-O 3.33Å; M239-C289 WeakPolarHBondContact CE-SG 3.49Å; A285-C289 VanDerWaalsContact O-CB 3.3Å; A285-C289 WeakPolarHBondContact O-CB 3.28Å; A285-C289 PolarHBondContact O-N 2.78Å; L286-C289 VanDerWaalsContact O-CB 3.22Å; L286-C289 WeakPolarHBondContact O-CB 3.1Å; L286-C289 PolarHBondContact O-N 3.05Å; C289-K291 PolarHBondContact O-N 3.5Å; C289-Q292 PolarHBondContact O-N 3.22Å; C289-Q292 VanDerWaalsContact O-N 3.16Å; C289-I293 WeakPolarHBondContact O-CG1 3.49Å; C289-I293 PolarHBondContact O-N 3.24Å
290	Y	95.7	Very high	90.3	Very high	13 Å²	13	52.1 Å²	52.1	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-56.1	-50.4	-178.8	-179.3	-128.4	0	0	0	112.8	L286 I288 Q292 I293 R294 L302 M304 A330 L332	L286-Y290 PolarHBondContact O-N 3.21Å; I288-Y290 PolarHBondContact O-N 3.2Å; Y290-Q292 VanDerWaalsContact C-N 3.32Å; Y290-Q292 PolarHBondContact O-N 3.24Å; Y290-I293 PolarHBondContact O-N 3.31Å; Y290-R294 HydrophobicContact CD2-CG 4.42Å; Y290-R294 HydrophobicContact CE2-CG 4.05Å; Y290-R294 VanDerWaalsContact CZ-CD 3.5Å; Y290-R294 PolarHBondContact O-N 3.2Å; Y290-L302 HydrophobicContact CD2-CD2 4.42Å; Y290-L302 HydrophobicContact CE2-CD2 4.23Å; Y290-L302 HydrophobicContact CE2-CG 4.19Å; Y290-L302 VanDerWaalsContact CE2-O 3.31Å; Y290-L302 WeakPolarHBondContact CE2-O 3.37Å; Y290-L302 PolarHBondContact OH-O 3.43Å; Y290-M304 HydrophobicContact CD2-CB 3.34Å; Y290-M304 HydrophobicContact CD2-CG 4.19Å; Y290-M304 HydrophobicContact CD2-SD 3.85Å; Y290-M304 HydrophobicContact CE2-CB 3.53Å; Y290-M304 HydrophobicContact CG-CB 4.06Å; Y290-M304 HydrophobicContact CG-SD 4.09Å; Y290-A330 WeakPolarHBondContact CD1-O 3.42Å; Y290-A330 WeakPolarHBondContact CE1-O 3.46Å; Y290-L332 HydrophobicContact CD1-CD1 3.71Å; Y290-L332 HydrophobicContact CD1-CG 4Å; Y290-L332 HydrophobicContact CG-CD1 4.06Å; Y290-L332 HydrophobicContact CG-CG 4.11Å
291	K	93.7	Very high	90.8	Very high	125 Å²	125	56.7 Å²	56.7	54%	0.543	28%	0.283	S	S	.	.	H	α-helix	trans	-59.8	-41.2	177.8	-70.4	178.2	178	175.2	0	112	S287 I288 C289 R294 S295	S287-K291 PolarHBondContact O-N 3.03Å; I288-K291 PolarHBondContact O-N 3.47Å; C289-K291 PolarHBondContact O-N 3.5Å; K291-R294 PolarHBondContact O-N 2.83Å; K291-S295 WeakPolarHBondContact O-CB 3.16Å; K291-S295 PolarHBondContact O-N 3.35Å
292	Q	92.8	Very high	91.3	Very high	55 Å²	55	56.8 Å²	56.8	26%	0.257	28%	0.284	S	S	.	.	H	α-helix	trans	-68.8	-38.1	177.6	-74.3	-178.5	-4.3	0	0	112.7	Y235 M239 I288 C289 Y290 R296	Y235-Q292 PolarHBondContact OH-OE1 3.28Å; M239-Q292 HydrophobicContact CE-CB 3.74Å; M239-Q292 HydrophobicContact SD-CB 4.02Å; I288-Q292 HydrophobicContact CG2-CG 4.22Å; I288-Q292 WeakPolarHBondContact O-CB 2.9Å; I288-Q292 WeakPolarHBondContact O-CG 3.38Å; I288-Q292 PolarHBondContact O-N 3.36Å; C289-Q292 PolarHBondContact O-N 3.22Å; C289-Q292 VanDerWaalsContact O-N 3.16Å; Y290-Q292 VanDerWaalsContact C-N 3.32Å; Y290-Q292 PolarHBondContact O-N 3.24Å; Q292-R296 VanDerWaalsContact O-CB 3.29Å; Q292-R296 WeakPolarHBondContact O-CB 3.49Å; Q292-R296 VanDerWaalsContact O-CG 3.25Å; Q292-R296 WeakPolarHBondContact O-CG 3.08Å; Q292-R296 PolarHBondContact O-N 2.9Å
293	I	92	Very high	91.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.2	-49.6	175.1	-58.9	158.8	0	0	0	109.2	L238 M239 I242 L249 C289 Y290 S295 R296 T297 L302	L238-I293 HydrophobicContact CD2-CD1 3.49Å; L238-I293 VanDerWaalsContact CD2-CD1 3.49Å; L238-I293 HydrophobicContact CD2-CG1 4.18Å; L238-I293 HydrophobicContact CG-CD1 4.34Å; M239-I293 HydrophobicContact CE-CG1 3.73Å; I242-I293 HydrophobicContact CD1-CB 4.06Å; I242-I293 HydrophobicContact CD1-CG1 3.55Å; I242-I293 HydrophobicContact CD1-CG2 3.74Å; L249-I293 HydrophobicContact CD1-CG2 3.96Å; C289-I293 WeakPolarHBondContact O-CG1 3.49Å; C289-I293 PolarHBondContact O-N 3.24Å; Y290-I293 PolarHBondContact O-N 3.31Å; I293-S295 PolarHBondContact O-N 3.49Å; I293-R296 PolarHBondContact O-N 3.11Å; I293-T297 HydrophobicContact CG2-CG2 4.06Å; I293-T297 WeakPolarHBondContact O-CB 3.24Å; I293-T297 WeakPolarHBondContact O-CG2 3.48Å; I293-T297 PolarHBondContact O-N 2.71Å; I293-T297 PolarHBondContact O-OG1 3.18Å; I293-L302 HydrophobicContact CB-CD2 3.95Å; I293-L302 HydrophobicContact CG2-CD2 3.34Å
294	R	92.1	Very high	91.7	Very high	88 Å²	88	62.4 Å²	62.4	33%	0.332	31%	0.31	S	S	.	.	H	α-helix	trans	-57.3	-49.2	178.3	-71.6	-176.2	71.2	-168.1	-1.1	111.8	Y290 K291 R296 G298 R299 E300 L302	Y290-R294 HydrophobicContact CD2-CG 4.42Å; Y290-R294 HydrophobicContact CE2-CG 4.05Å; Y290-R294 VanDerWaalsContact CZ-CD 3.5Å; Y290-R294 PolarHBondContact O-N 3.2Å; K291-R294 PolarHBondContact O-N 2.83Å; R294-R296 PolarHBondContact O-N 2.91Å; R294-G298 WeakPolarHBondContact O-CA 3.49Å; R294-G298 PolarHBondContact O-N 2.69Å; R294-R299 PolarHBondContact O-N 3.23Å; R294-E300 PolarHBondContact NE-O 3.39Å; R294-E300 VanDerWaalsContact NE-O 3.17Å; R294-E300 PolarHBondContact NH2-O 3.44Å; R294-L302 HydrophobicContact CG-CB 4.14Å; R294-L302 HydrophobicContact CG-CD2 4Å
295	S	90.3	Very high	92	Very high	101 Å²	101	59.8 Å²	59.8	71%	0.706	30%	0.298	S	S	*	.	H	α-helix	trans	-62	-43.7	179.5	174.6	0	0	0	0	112.9	K291 I293	K291-S295 WeakPolarHBondContact O-CB 3.16Å; K291-S295 PolarHBondContact O-N 3.35Å; I293-S295 PolarHBondContact O-N 3.49Å
296	R	89	Confident	92.4	Very high	135 Å²	135	59.3 Å²	59.3	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-77.4	-29.7	-177.3	-70	179.1	-179	-164.8	2.5	113.7	I242 Q292 I293 R294	I242-R296 HydrophobicContact CG2-CB 3.85Å; Q292-R296 VanDerWaalsContact O-CB 3.29Å; Q292-R296 WeakPolarHBondContact O-CB 3.49Å; Q292-R296 VanDerWaalsContact O-CG 3.25Å; Q292-R296 WeakPolarHBondContact O-CG 3.08Å; Q292-R296 PolarHBondContact O-N 2.9Å; I293-R296 PolarHBondContact O-N 3.11Å; R294-R296 PolarHBondContact O-N 2.91Å
297	T	86.8	Confident	92.4	Very high	38 Å²	38	60.2 Å²	60.2	23%	0.233	30%	0.298	C	S	.	.	H	α-helix	trans	-93.7	-14.5	-179.6	61.3	0	0	0	0	113.2	I242 I293 R299	I242-T297 HydrophobicContact CG2-CG2 3.97Å; I293-T297 HydrophobicContact CG2-CG2 4.06Å; I293-T297 WeakPolarHBondContact O-CB 3.24Å; I293-T297 WeakPolarHBondContact O-CG2 3.48Å; I293-T297 PolarHBondContact O-N 2.71Å; I293-T297 PolarHBondContact O-OG1 3.18Å; T297-R299 PolarHBondContact O-N 3.45Å; T297-R299 PolarHBondContact OG1-N 2.82Å
298	G	85.4	Confident	92.3	Very high	60 Å²	60	59.9 Å²	59.9	62%	0.619	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	17.3	-173.4	0	0	0	0	0	113.6	R294 E300	R294-G298 WeakPolarHBondContact O-CA 3.49Å; R294-G298 PolarHBondContact O-N 2.69Å; G298-E300 PolarHBondContact O-N 2.82Å
299	R	85.7	Confident	92.2	Very high	89 Å²	89	56.6 Å²	56.6	34%	0.336	28%	0.279	S	S	.	.			trans	-95.5	89.7	-177.5	-65.8	-68.8	-178.8	157.7	1.7	110.1	E211 P248 R294 T297 E301 L302	E211-R299 IonicContact OE1-NH1 3.29Å; P248-R299 VanDerWaalsContact CB-NH2 3.34Å; R294-R299 PolarHBondContact O-N 3.23Å; T297-R299 PolarHBondContact O-N 3.45Å; T297-R299 PolarHBondContact OG1-N 2.82Å; R299-E301 VanDerWaalsContact C-N 3.29Å; R299-E301 PolarHBondContact O-N 2.75Å; R299-L302 HydrophobicContact CB-CB 4.04Å; R299-L302 VanDerWaalsContact O-CB 3.32Å; R299-L302 WeakPolarHBondContact O-CB 3.11Å; R299-L302 PolarHBondContact O-N 3.17Å
300	E	85.9	Confident	91.8	Very high	155 Å²	155	56.6 Å²	56.6	72%	0.724	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-32.1	177.9	-67.1	-172.8	175.9	0	0	112.6	R294 G298 L302	R294-E300 PolarHBondContact NE-O 3.39Å; R294-E300 VanDerWaalsContact NE-O 3.17Å; R294-E300 PolarHBondContact NH2-O 3.44Å; G298-E300 PolarHBondContact O-N 2.82Å; E300-L302 VanDerWaalsContact C-N 3.26Å; E300-L302 PolarHBondContact O-N 2.9Å
301	E	90.2	Very high	91.3	Very high	179 Å²	179	56 Å²	56	84%	0.836	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.2	178.8	-61.9	175.2	179.8	0	0	113.9	R299 Q303	R299-E301 VanDerWaalsContact C-N 3.29Å; R299-E301 PolarHBondContact O-N 2.75Å; E301-Q303 PolarHBondContact O-N 3.48Å
302	L	94.3	Very high	90.3	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.016	25%	0.252	C	S	.	.			trans	-57.3	123.1	180	175.8	70.3	0	0	0	110.3	L249 V252 Y290 I293 R294 R299 E300	L249-L302 HydrophobicContact CB-CD1 3.69Å; V252-L302 HydrophobicContact CG2-CD1 4.26Å; Y290-L302 HydrophobicContact CD2-CD2 4.42Å; Y290-L302 HydrophobicContact CE2-CD2 4.23Å; Y290-L302 HydrophobicContact CE2-CG 4.19Å; Y290-L302 VanDerWaalsContact CE2-O 3.31Å; Y290-L302 WeakPolarHBondContact CE2-O 3.37Å; Y290-L302 PolarHBondContact OH-O 3.43Å; I293-L302 HydrophobicContact CB-CD2 3.95Å; I293-L302 HydrophobicContact CG2-CD2 3.34Å; R294-L302 HydrophobicContact CG-CB 4.14Å; R294-L302 HydrophobicContact CG-CD2 4Å; R299-L302 HydrophobicContact CB-CB 4.04Å; R299-L302 VanDerWaalsContact O-CB 3.32Å; R299-L302 WeakPolarHBondContact O-CB 3.11Å; R299-L302 PolarHBondContact O-N 3.17Å; E300-L302 VanDerWaalsContact C-N 3.26Å; E300-L302 PolarHBondContact O-N 2.9Å
303	Q	95.7	Very high	89.2	Confident	117 Å²	117	49 Å²	49	55%	0.547	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	140.5	174	-65.5	-178.3	-11.5	0	0	110.4	R250 E251 V252 E301	R250-Q303 PolarHBondContact O-N 2.87Å; E251-Q303 CarbonylContact C-O 3.57Å; E251-Q303 WeakPolarHBondContact CA-O 3.44Å; V252-Q303 PolarHBondContact N-O 2.75Å; E301-Q303 PolarHBondContact O-N 3.48Å
304	M	97.4	Very high	87.9	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.3	172.3	-174.5	168.6	175.1	0	0	110.1	F234 V252 L254 L286 Y290 L332 T333	F234-M304 HydrophobicContact CE1-CE 4.33Å; V252-M304 HydrophobicContact CB-CB 4.34Å; V252-M304 HydrophobicContact CB-CG 4.02Å; V252-M304 HydrophobicContact CG1-CE 4.26Å; V252-M304 HydrophobicContact CG1-CG 4.07Å; V252-M304 HydrophobicContact CG1-SD 4.32Å; V252-M304 CarbonylContact O-C 3.2Å; V252-M304 VanDerWaalsContact O-CA 3.25Å; V252-M304 WeakPolarHBondContact O-CA 3.36Å; L254-M304 HydrophobicContact CD1-CE 3.27Å; L254-M304 HydrophobicContact CD2-CE 4.49Å; L254-M304 HydrophobicContact CG-CE 3.83Å; L286-M304 HydrophobicContact CD2-CE 4.31Å; Y290-M304 HydrophobicContact CD2-CB 3.34Å; Y290-M304 HydrophobicContact CD2-CG 4.19Å; Y290-M304 HydrophobicContact CD2-SD 3.85Å; Y290-M304 HydrophobicContact CE2-CB 3.53Å; Y290-M304 HydrophobicContact CG-CB 4.06Å; Y290-M304 HydrophobicContact CG-SD 4.09Å; M304-L332 HydrophobicContact CB-CD2 4.42Å; M304-L332 HydrophobicContact CB-CG 4.38Å; M304-L332 HydrophobicContact CE-CD2 4Å; M304-L332 HydrophobicContact CG-CD2 3.87Å; M304-L332 HydrophobicContact CG-CG 4.37Å; M304-L332 WeakPolarHBondContact O-CA 3.46Å; M304-L332 HydrophobicContact SD-CD2 3.84Å; M304-T333 PolarHBondContact O-N 3.28Å
305	T	97.3	Very high	86.2	Confident	10 Å²	10	65.5 Å²	65.5	6%	0.061	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.9	-175.9	-52.7	0	0	0	0	110.1	V252 I253 L254 K307 T333	V252-T305 PolarHBondContact O-N 2.8Å; I253-T305 CarbonylContact C-O 3.57Å; I253-T305 WeakPolarHBondContact CA-O 3.46Å; L254-T305 PolarHBondContact N-O 3.46Å; T305-K307 HydrophobicContact CG2-CG 4.1Å; T305-T333 CarbonylContact C-O 3.57Å; T305-T333 VanDerWaalsContact CA-O 3.23Å; T305-T333 WeakPolarHBondContact CA-O 3.41Å; T305-T333 HydrophobicContact CG2-CG2 4.1Å
306	V	97.3	Very high	84.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.3	175	-177.7	0	0	0	0	108.8	L254 L256 P260 L286 F308 M327 L332 T333 V334 E335	L254-V306 HydrophobicContact CB-CG2 4.49Å; L254-V306 HydrophobicContact CD1-CG2 4.39Å; L256-V306 HydrophobicContact CD1-CG1 3.7Å; P260-V306 HydrophobicContact CG-CG1 4.25Å; L286-V306 HydrophobicContact CD1-CG2 4.29Å; V306-F308 HydrophobicContact CG1-CD1 4.46Å; V306-M327 HydrophobicContact CB-SD 4.27Å; V306-M327 HydrophobicContact CG1-SD 4.26Å; V306-M327 HydrophobicContact CG2-SD 3.99Å; V306-L332 HydrophobicContact CG2-CD2 3.88Å; V306-T333 PolarHBondContact N-O 2.98Å; V306-V334 WeakPolarHBondContact O-CA 3.19Å; V306-E335 PolarHBondContact O-N 3.1Å
307	K	95.4	Very high	83.8	Confident	20 Å²	20	58.4 Å²	58.4	9%	0.087	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.8	-179.8	-67.2	-175.3	170.4	-170	0	110.6	I253 L254 Y255 L256 T305 E335 L337 D341	I253-K307 HydrophobicContact CG2-CD 4.11Å; I253-K307 HydrophobicContact CG2-CG 4.43Å; L254-K307 PolarHBondContact O-N 2.85Å; Y255-K307 CarbonylContact C-O 3.53Å; Y255-K307 WeakPolarHBondContact CA-O 2.94Å; Y255-K307 HydrophobicContact CD1-CB 3.92Å; Y255-K307 HydrophobicContact CD1-CD 4.05Å; Y255-K307 HydrophobicContact CD1-CG 4.5Å; Y255-K307 HydrophobicContact CE1-CB 4.46Å; Y255-K307 HydrophobicContact CE1-CD 3.72Å; L256-K307 PolarHBondContact N-O 3.36Å; T305-K307 HydrophobicContact CG2-CG 4.1Å; K307-E335 VanDerWaalsContact CA-O 3.28Å; K307-E335 WeakPolarHBondContact CA-O 3.19Å; K307-E335 WeakPolarHBondContact CE-OE2 3.47Å; K307-E335 HydrophobicContact CG-CB 4.11Å; K307-E335 IonicContact NZ-OE2 3.98Å; K307-E335 PolarHBondContact NZ-OE2 3.33Å; K307-L337 HydrophobicContact CB-CB 4.43Å; K307-L337 HydrophobicContact CB-CD1 4.14Å; K307-D341 WeakPolarHBondContact CD-OD2 3.21Å; K307-D341 IonicContact NZ-OD2 2.62Å; K307-D341 PolarHBondContact NZ-OD2 3.11Å
308	F	94	Very high	83.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153	177.2	64	-91.6	0	0	0	113.7	L256 S259 V306 A310 I324 V334 E335 L337 T385	L256-F308 HydrophobicContact CB-CB 4.18Å; L256-F308 VanDerWaalsContact O-CA 3.23Å; L256-F308 WeakPolarHBondContact O-CA 3.38Å; S259-F308 VanDerWaalsContact CB-CE2 3.46Å; V306-F308 HydrophobicContact CG1-CD1 4.46Å; F308-A310 WeakPolarHBondContact CD2-O 3.47Å; F308-I324 HydrophobicContact CE1-CG1 4.5Å; F308-I324 HydrophobicContact CZ-CD1 4.16Å; F308-I324 HydrophobicContact CZ-CG1 4.27Å; F308-V334 HydrophobicContact CD1-CG1 4.44Å; F308-V334 HydrophobicContact CE1-CG1 3.67Å; F308-E335 PolarHBondContact N-O 3.37Å; F308-L337 PolarHBondContact O-N 2.84Å; F308-T385 HydrophobicContact CD2-CG2 3.77Å; F308-T385 HydrophobicContact CE1-CG2 4.43Å; F308-T385 HydrophobicContact CE2-CG2 3.25Å; F308-T385 HydrophobicContact CZ-CG2 3.64Å
309	L	89.9	Confident	83.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-58.8	178.7	-71.3	166.4	0	0	0	111.9	F193 P196 L256 P257 L337 W373 Y381 V382 T385	F193-L309 HydrophobicContact CD1-CD1 4.25Å; P196-L309 HydrophobicContact CG-CD1 4.48Å; L256-L309 PolarHBondContact O-N 3.23Å; P257-L309 WeakPolarHBondContact O-CB 2.92Å; L309-L337 HydrophobicContact CD1-CD2 3.89Å; L309-L337 HydrophobicContact CD2-CB 3.8Å; L309-L337 HydrophobicContact CD2-CD2 3.84Å; L309-L337 HydrophobicContact CD2-CG 4.06Å; L309-L337 WeakPolarHBondContact CD2-O 3.41Å; L309-L337 HydrophobicContact CG-CB 3.87Å; L309-L337 HydrophobicContact CG-CD2 3.52Å; L309-L337 HydrophobicContact CG-CG 4.16Å; L309-W373 HydrophobicContact CD2-CH2 3.87Å; L309-W373 HydrophobicContact CD2-CZ3 4.06Å; L309-Y381 CarbonylContact O-C 3.52Å; L309-Y381 WeakPolarHBondContact O-CB 3.44Å; L309-Y381 VanDerWaalsContact O-O 3.09Å; L309-V382 HydrophobicContact CD2-CG2 4.13Å; L309-T385 PolarHBondContact O-OG1 2.57Å
310	A	87	Confident	83.5	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.2	-166.7	0	0	0	0	0	112.7	P196 P257 T258 S259 F308 Y381	P196-A310 HydrophobicContact CB-CB 4.17Å; P196-A310 HydrophobicContact CG-CB 4.49Å; P257-A310 PolarHBondContact O-N 3.24Å; T258-A310 CarbonylContact C-O 3.52Å; T258-A310 VanDerWaalsContact CA-O 3.23Å; T258-A310 WeakPolarHBondContact CA-O 3.36Å; T258-A310 HydrophobicContact CG2-CB 4.33Å; S259-A310 PolarHBondContact N-O 2.81Å; F308-A310 WeakPolarHBondContact CD2-O 3.47Å; A310-Y381 HydrophobicContact CB-CD1 3.31Å; A310-Y381 HydrophobicContact CB-CE1 3.6Å; A310-Y381 HydrophobicContact CB-CG 3.98Å
311	S	84.1	Confident	83.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.227	C	C	.	.			trans	-70.7	150.3	172.4	65.9	0	0	0	0	112.6	V313	S311-V313 VanDerWaalsContact C-N 3.33Å; S311-V313 PolarHBondContact O-N 3.26Å; S311-V313 PolarHBondContact OG-O 2.92Å
312	Y	73.7	Confident	83.7	Confident	6 Å²	6	44 Å²	44	2%	0.024	20%	0.197	C	C	.	.	S	Bend	trans	-60.8	-36.1	174.9	174.2	-109.6	0	0	0	112.6	G199 S200 S259 C261 L273 H275 C276	G199-Y312 PolarHBondContact N-O 3Å; G199-Y312 WeakPolarHBondContact O-CD2 3.46Å; S200-Y312 VanDerWaalsContact N-CE2 3.26Å; S259-Y312 VanDerWaalsContact OG-CB 3.32Å; S259-Y312 WeakPolarHBondContact OG-CB 3.25Å; S259-Y312 PolarHBondContact OG-N 2.88Å; C261-Y312 HydrophobicContact CB-CD1 4.08Å; C261-Y312 HydrophobicContact CB-CD2 4.03Å; C261-Y312 HydrophobicContact CB-CE1 4.06Å; C261-Y312 HydrophobicContact CB-CE2 3.94Å; C261-Y312 HydrophobicContact CB-CG 4.16Å; L273-Y312 HydrophobicContact CD2-CE1 4.03Å; H275-Y312 VanDerWaalsContact C-OH 3.26Å; C276-Y312 VanDerWaalsContact CA-OH 3.28Å; C276-Y312 WeakPolarHBondContact CA-OH 3.48Å; C276-Y312 VanDerWaalsContact CB-OH 3.23Å; C276-Y312 WeakPolarHBondContact CB-OH 3.44Å; C276-Y312 PolarHBondContact N-OH 2.93Å
313	V	70	Confident	83.6	Confident	27 Å²	27	44 Å²	44	16%	0.164	20%	0.197	C	C	.	.			trans	-127.4	151.6	-176.3	-162.2	0	0	0	0	112.9	S311 R315	S311-V313 VanDerWaalsContact C-N 3.33Å; S311-V313 PolarHBondContact O-N 3.26Å; S311-V313 PolarHBondContact OG-O 2.92Å; V313-R315 WeakPolarHBondContact CG1-O 3.26Å
314	R	64	Low	83.5	Confident	200 Å²	200	38.5 Å²	38.5	76%	0.755	17%	0.171	S	C	*	.	S	Bend	trans	-72	-48.5	168.6	-82.3	-110.7	175	120.7	-11.7	113	R198	R198-R314 VanDerWaalsContact NH1-CA 3.31Å
315	R	55.8	Low	83.3	Confident	235 Å²	235	40.5 Å²	40.5	89%	0.887	18%	0.181	S	C	*	.	S	Bend	trans	-111.3	102.4	-179.7	-63.1	179.8	-173.9	-178	1.9	107.7	V313	V313-R315 WeakPolarHBondContact CG1-O 3.26Å
316	G	56.3	Low	83.2	Confident	17 Å²	17	41.1 Å²	41.1	18%	0.175	19%	0.186	C	C	.	.			trans	140.3	45.9	-175.1	0	0	0	0	0	112.4	L318 Y319 T320	G316-L318 PolarHBondContact O-N 3.38Å; G316-Y319 PolarHBondContact O-N 2.91Å; G316-Y319 VanDerWaalsContact O-N 3.14Å; G316-T320 PolarHBondContact O-N 3.1Å
317	D	73.4	Confident	83.1	Confident	70 Å²	70	41.2 Å²	41.2	37%	0.374	19%	0.186	S	C	.	.	H	α-helix	trans	-47	-36.1	161.5	64.5	-36.9	0	0	0	110.3	Y319 T320 K321 Y388	D317-Y319 PolarHBondContact O-N 2.76Å; D317-T320 PolarHBondContact O-N 2.98Å; D317-K321 HydrophobicContact CB-CD 4.4Å; D317-K321 VanDerWaalsContact O-CB 3.26Å; D317-K321 WeakPolarHBondContact O-CB 3.43Å; D317-K321 WeakPolarHBondContact O-CG 3.32Å; D317-K321 PolarHBondContact O-N 2.98Å; D317-K321 IonicContact OD2-NZ 3.57Å; D317-K321 PolarHBondContact OD2-NZ 2.75Å; D317-Y388 HydrophobicContact CB-CD1 4.15Å; D317-Y388 HydrophobicContact CB-CE1 3.47Å; D317-Y388 VanDerWaalsContact CB-CE1 3.47Å
318	L	81.4	Confident	83.1	Confident	96 Å²	96	41.4 Å²	41.4	50%	0.503	19%	0.188	S	C	.	.	H	α-helix	trans	-51.3	-52.7	174.2	-172.9	66.5	0	0	0	113.8	G316 K321 Q322	G316-L318 PolarHBondContact O-N 3.38Å; L318-K321 PolarHBondContact O-N 3.48Å; L318-Q322 HydrophobicContact CD1-CG 4.49Å; L318-Q322 WeakPolarHBondContact O-CB 3.27Å; L318-Q322 WeakPolarHBondContact O-CG 3.48Å; L318-Q322 PolarHBondContact O-N 2.78Å
319	Y	83.2	Confident	83.2	Confident	51 Å²	51	47.8 Å²	47.8	20%	0.2	22%	0.218	C	C	.	.	H	α-helix	trans	-70.6	-36.1	-178.6	-69.8	-69.7	0	0	0	112.2	F262 V272 G316 D317 Q322 G323	F262-Y319 WeakPolarHBondContact CB-O 3.42Å; V272-Y319 HydrophobicContact CG1-CE2 3.61Å; G316-Y319 PolarHBondContact O-N 2.91Å; G316-Y319 VanDerWaalsContact O-N 3.14Å; D317-Y319 PolarHBondContact O-N 2.76Å; Y319-Q322 PolarHBondContact O-N 3.06Å; Y319-G323 PolarHBondContact O-N 2.95Å
320	T	88	Confident	83.4	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.031	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-46.1	175.2	-54.7	0	0	0	0	109.9	G316 D317 G323 I324 Y388	G316-T320 PolarHBondContact O-N 3.1Å; D317-T320 PolarHBondContact O-N 2.98Å; T320-G323 PolarHBondContact O-N 2.99Å; T320-I324 HydrophobicContact CG2-CD1 4.09Å; T320-I324 VanDerWaalsContact O-CG1 3.26Å; T320-I324 WeakPolarHBondContact O-CG1 3.23Å; T320-I324 PolarHBondContact O-N 3.02Å; T320-Y388 HydrophobicContact CG2-CD2 4.09Å
321	K	90.8	Very high	83.8	Confident	23 Å²	23	50.2 Å²	50.2	10%	0.1	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-45.8	175.1	-72	169.5	-174.6	173.7	0	111.7	D317 L318 G323 I324 M325 Y388 E391	D317-K321 HydrophobicContact CB-CD 4.4Å; D317-K321 VanDerWaalsContact O-CB 3.26Å; D317-K321 WeakPolarHBondContact O-CB 3.43Å; D317-K321 WeakPolarHBondContact O-CG 3.32Å; D317-K321 PolarHBondContact O-N 2.98Å; D317-K321 IonicContact OD2-NZ 3.57Å; D317-K321 PolarHBondContact OD2-NZ 2.75Å; L318-K321 PolarHBondContact O-N 3.48Å; K321-G323 VanDerWaalsContact C-N 3.31Å; K321-G323 PolarHBondContact O-N 2.83Å; K321-I324 CarbonylContact O-C 3.34Å; K321-I324 WeakPolarHBondContact O-CB 3.28Å; K321-I324 PolarHBondContact O-N 3.35Å; K321-I324 VanDerWaalsContact O-N 3.11Å; K321-M325 WeakPolarHBondContact O-CB 3.11Å; K321-M325 WeakPolarHBondContact O-CG 3.35Å; K321-M325 PolarHBondContact O-N 2.69Å; K321-Y388 HydrophobicContact CG-CD1 4.47Å; K321-E391 VanDerWaalsContact CE-CD 3.41Å; K321-E391 VanDerWaalsContact CE-OE1 3.31Å; K321-E391 WeakPolarHBondContact CE-OE1 3.4Å; K321-E391 WeakPolarHBondContact CE-OE2 3.29Å; K321-E391 IonicContact NZ-OE1 3.42Å; K321-E391 PolarHBondContact NZ-OE1 2.89Å; K321-E391 IonicContact NZ-OE2 3.85Å; K321-E391 PolarHBondContact NZ-OE2 3.38Å
322	Q	89.2	Confident	84.3	Confident	43 Å²	43	50.4 Å²	50.4	20%	0.201	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-39.6	174.9	-73.9	173	-3.2	0	0	112.7	F262 L318 Y319 M325 S326	F262-Q322 HydrophobicContact CD1-CB 3.43Å; F262-Q322 VanDerWaalsContact CD1-CB 3.43Å; F262-Q322 HydrophobicContact CD1-CG 4.5Å; F262-Q322 HydrophobicContact CE1-CB 3.49Å; F262-Q322 VanDerWaalsContact CE1-CB 3.49Å; F262-Q322 HydrophobicContact CE1-CG 4.3Å; F262-Q322 HydrophobicContact CG-CB 4.17Å; F262-Q322 HydrophobicContact CZ-CB 4.25Å; L318-Q322 HydrophobicContact CD1-CG 4.49Å; L318-Q322 WeakPolarHBondContact O-CB 3.27Å; L318-Q322 WeakPolarHBondContact O-CG 3.48Å; L318-Q322 PolarHBondContact O-N 2.78Å; Y319-Q322 PolarHBondContact O-N 3.06Å; Q322-M325 HydrophobicContact CB-CE 4.28Å; Q322-M325 HydrophobicContact CG-CE 3.81Å; Q322-S326 VanDerWaalsContact O-CB 3.25Å; Q322-S326 WeakPolarHBondContact O-CB 3.23Å; Q322-S326 PolarHBondContact O-N 2.94Å
323	G	91.3	Very high	85.4	Confident	2 Å²	2	52.9 Å²	52.9	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-43.3	172.6	0	0	0	0	0	112.7	F262 Y319 T320 K321 M327	F262-G323 VanDerWaalsContact CB-CA 3.5Å; Y319-G323 PolarHBondContact O-N 2.95Å; T320-G323 PolarHBondContact O-N 2.99Å; K321-G323 VanDerWaalsContact C-N 3.31Å; K321-G323 PolarHBondContact O-N 2.83Å; G323-M327 WeakPolarHBondContact O-CE 3.48Å; G323-M327 WeakPolarHBondContact O-CG 3.42Å; G323-M327 PolarHBondContact O-N 3.31Å; G323-M327 VanDerWaalsContact O-N 3.12Å
324	I	93.8	Very high	86.6	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-51.1	175.4	-65.6	162.8	0	0	0	110.3	F308 T320 K321 S326 M327 M328 V334 I389 C392	F308-I324 HydrophobicContact CE1-CG1 4.5Å; F308-I324 HydrophobicContact CZ-CD1 4.16Å; F308-I324 HydrophobicContact CZ-CG1 4.27Å; T320-I324 HydrophobicContact CG2-CD1 4.09Å; T320-I324 VanDerWaalsContact O-CG1 3.26Å; T320-I324 WeakPolarHBondContact O-CG1 3.23Å; T320-I324 PolarHBondContact O-N 3.02Å; K321-I324 CarbonylContact O-C 3.34Å; K321-I324 WeakPolarHBondContact O-CB 3.28Å; K321-I324 PolarHBondContact O-N 3.35Å; K321-I324 VanDerWaalsContact O-N 3.11Å; I324-S326 PolarHBondContact O-N 3.09Å; I324-M327 PolarHBondContact O-N 3.18Å; I324-M328 HydrophobicContact CG2-CE 3.66Å; I324-M328 HydrophobicContact CG2-CG 4.25Å; I324-M328 HydrophobicContact CG2-SD 3.82Å; I324-M328 WeakPolarHBondContact O-CG 3.28Å; I324-M328 PolarHBondContact O-N 3.49Å; I324-V334 HydrophobicContact CG1-CG1 4.29Å; I324-V334 HydrophobicContact CG2-CB 4.33Å; I324-V334 HydrophobicContact CG2-CG1 4.27Å; I324-V334 HydrophobicContact CG2-CG2 4.5Å; I324-I389 HydrophobicContact CD1-CG1 4.01Å; I324-C392 HydrophobicContact CB-CB 4.48Å; I324-C392 HydrophobicContact CG2-CB 3.72Å
325	M	94.1	Very high	88	Confident	44 Å²	44	45.1 Å²	45.1	22%	0.217	23%	0.229	C	C	.	.	H	α-helix	trans	-54.7	-50.5	176.7	-73.4	-167.6	-74.8	0	0	111.2	K321 Q322 M327 M328 E329 C392 F396	K321-M325 WeakPolarHBondContact O-CB 3.11Å; K321-M325 WeakPolarHBondContact O-CG 3.35Å; K321-M325 PolarHBondContact O-N 2.69Å; Q322-M325 HydrophobicContact CB-CE 4.28Å; Q322-M325 HydrophobicContact CG-CE 3.81Å; M325-M327 VanDerWaalsContact C-N 3.28Å; M325-M327 PolarHBondContact O-N 3.13Å; M325-M328 PolarHBondContact O-N 3.08Å; M325-M328 VanDerWaalsContact O-N 3.08Å; M325-E329 WeakPolarHBondContact O-CB 3.16Å; M325-E329 VanDerWaalsContact O-CG 3.31Å; M325-E329 WeakPolarHBondContact O-CG 3.29Å; M325-E329 PolarHBondContact O-N 2.78Å; M325-C392 HydrophobicContact CG-CB 4.28Å; M325-F396 HydrophobicContact CB-CE2 4.28Å; M325-F396 HydrophobicContact CB-CZ 4.37Å; M325-F396 HydrophobicContact CG-CE2 4.12Å
326	S	93.5	Very high	89.7	Confident	22 Å²	22	34.4 Å²	34.4	15%	0.154	19%	0.19	C	C	.	.	H	α-helix	trans	-56.6	-41.4	179.2	-179.2	0	0	0	0	112.5	S287 Q322 I324 A330	S287-S326 PolarHBondContact OG-O 3.24Å; Q322-S326 VanDerWaalsContact O-CB 3.25Å; Q322-S326 WeakPolarHBondContact O-CB 3.23Å; Q322-S326 PolarHBondContact O-N 2.94Å; I324-S326 PolarHBondContact O-N 3.09Å; S326-A330 PolarHBondContact O-N 3.22Å
327	M	96.5	Very high	91.4	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-68.5	-43.8	175.4	-72	-173	-66.3	0	0	112	P260 A283 L286 S287 V306 G323 I324 M325 A330 G331 L332 V334	P260-M327 HydrophobicContact CG-CE 4.44Å; P260-M327 HydrophobicContact CG-SD 4.35Å; A283-M327 HydrophobicContact CB-CE 4.44Å; A283-M327 HydrophobicContact CB-CG 4.1Å; A283-M327 HydrophobicContact CB-SD 4.29Å; L286-M327 HydrophobicContact CD1-SD 4.37Å; S287-M327 WeakPolarHBondContact OG-CA 3.33Å; V306-M327 HydrophobicContact CB-SD 4.27Å; V306-M327 HydrophobicContact CG1-SD 4.26Å; V306-M327 HydrophobicContact CG2-SD 3.99Å; G323-M327 WeakPolarHBondContact O-CE 3.48Å; G323-M327 WeakPolarHBondContact O-CG 3.42Å; G323-M327 PolarHBondContact O-N 3.31Å; G323-M327 VanDerWaalsContact O-N 3.12Å; I324-M327 PolarHBondContact O-N 3.18Å; M325-M327 VanDerWaalsContact C-N 3.28Å; M325-M327 PolarHBondContact O-N 3.13Å; M327-A330 PolarHBondContact O-N 2.96Å; M327-G331 PolarHBondContact O-N 3.28Å; M327-L332 HydrophobicContact CB-CB 4.15Å; M327-L332 HydrophobicContact CB-CD1 4.48Å; M327-L332 WeakPolarHBondContact O-CB 3.4Å; M327-L332 VanDerWaalsContact O-CD1 3.27Å; M327-L332 WeakPolarHBondContact O-CD1 3.37Å; M327-L332 PolarHBondContact O-N 2.87Å; M327-V334 HydrophobicContact CB-CG2 3.84Å; M327-V334 HydrophobicContact CE-CG1 4.29Å; M327-V334 HydrophobicContact CE-CG2 4Å
328	M	95.8	Very high	92.1	Very high	24 Å²	24	31.5 Å²	31.5	12%	0.118	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-42.2	178.6	-72.2	-176.3	170.8	0	0	112.4	I324 M325 A330 G331 V334 I389 C392 R393 F396 M398	I324-M328 HydrophobicContact CG2-CE 3.66Å; I324-M328 HydrophobicContact CG2-CG 4.25Å; I324-M328 HydrophobicContact CG2-SD 3.82Å; I324-M328 WeakPolarHBondContact O-CG 3.28Å; I324-M328 PolarHBondContact O-N 3.49Å; M325-M328 PolarHBondContact O-N 3.08Å; M325-M328 VanDerWaalsContact O-N 3.08Å; M328-A330 PolarHBondContact O-N 3.46Å; M328-G331 WeakPolarHBondContact O-CA 3.1Å; M328-G331 PolarHBondContact O-N 3.1Å; M328-V334 HydrophobicContact CE-CB 3.97Å; M328-V334 HydrophobicContact CE-CG2 4.47Å; M328-V334 HydrophobicContact CG-CG2 4.09Å; M328-I389 HydrophobicContact CE-CG2 3.93Å; M328-C392 HydrophobicContact SD-CB 4.05Å; M328-R393 HydrophobicContact CE-CG 3.95Å; M328-F396 HydrophobicContact CB-CD2 4.21Å; M328-F396 HydrophobicContact CB-CE2 3.87Å; M328-F396 HydrophobicContact CB-CZ 4.34Å; M328-F396 HydrophobicContact SD-CD2 4.07Å; M328-F396 HydrophobicContact SD-CE2 4.25Å; M328-M398 HydrophobicContact CE-CE 4.36Å; M328-M398 HydrophobicContact CG-CE 4.49Å; M328-M398 HydrophobicContact SD-CE 3.66Å
329	E	94.9	Very high	92.4	Very high	134 Å²	134	27 Å²	27	63%	0.626	15%	0.147	S	C	*	.	H	α-helix	trans	-60.1	-32.6	173.9	-72.5	174.9	178	0	0	112.5	M325 G331 F396	M325-E329 WeakPolarHBondContact O-CB 3.16Å; M325-E329 VanDerWaalsContact O-CG 3.31Å; M325-E329 WeakPolarHBondContact O-CG 3.29Å; M325-E329 PolarHBondContact O-N 2.78Å; E329-G331 PolarHBondContact O-N 3.4Å; E329-F396 HydrophobicContact CG-CE1 3.64Å; E329-F396 HydrophobicContact CG-CZ 3.48Å; E329-F396 VanDerWaalsContact CG-CZ 3.48Å
330	A	94.6	Very high	92.6	Very high	9 Å²	9	30.1 Å²	30.1	7%	0.074	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.9	174.7	0	0	0	0	0	113.3	Y290 S326 M327 M328 L332	Y290-A330 WeakPolarHBondContact CD1-O 3.42Å; Y290-A330 WeakPolarHBondContact CE1-O 3.46Å; S326-A330 PolarHBondContact O-N 3.22Å; M327-A330 PolarHBondContact O-N 2.96Å; M328-A330 PolarHBondContact O-N 3.46Å; A330-L332 HydrophobicContact CB-CD1 3.59Å
331	G	94.5	Very high	92.6	Very high	42 Å²	42	31 Å²	31	43%	0.433	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	13.8	-179.6	0	0	0	0	0	114.3	M327 M328 E329	M327-G331 PolarHBondContact O-N 3.28Å; M328-G331 WeakPolarHBondContact O-CA 3.1Å; M328-G331 PolarHBondContact O-N 3.1Å; E329-G331 PolarHBondContact O-N 3.4Å
332	L	96.3	Very high	92.6	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.026	16%	0.161	C	C	.	.			trans	-79.3	137.3	172.9	-67	88.3	0	0	0	109.9	Y290 M304 V306 M327 A330	Y290-L332 HydrophobicContact CD1-CD1 3.71Å; Y290-L332 HydrophobicContact CD1-CG 4Å; Y290-L332 HydrophobicContact CG-CD1 4.06Å; Y290-L332 HydrophobicContact CG-CG 4.11Å; M304-L332 HydrophobicContact CB-CD2 4.42Å; M304-L332 HydrophobicContact CB-CG 4.38Å; M304-L332 HydrophobicContact CE-CD2 4Å; M304-L332 HydrophobicContact CG-CD2 3.87Å; M304-L332 HydrophobicContact CG-CG 4.37Å; M304-L332 WeakPolarHBondContact O-CA 3.46Å; M304-L332 HydrophobicContact SD-CD2 3.84Å; V306-L332 HydrophobicContact CG2-CD2 3.88Å; M327-L332 HydrophobicContact CB-CB 4.15Å; M327-L332 HydrophobicContact CB-CD1 4.48Å; M327-L332 WeakPolarHBondContact O-CB 3.4Å; M327-L332 VanDerWaalsContact O-CD1 3.27Å; M327-L332 WeakPolarHBondContact O-CD1 3.37Å; M327-L332 PolarHBondContact O-N 2.87Å; A330-L332 HydrophobicContact CB-CD1 3.59Å
333	T	95.5	Very high	92.4	Very high	58 Å²	58	28.7 Å²	28.7	36%	0.356	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.2	168.6	-54.2	0	0	0	0	108.9	M304 T305 V306 E335	M304-T333 PolarHBondContact O-N 3.28Å; T305-T333 CarbonylContact C-O 3.57Å; T305-T333 VanDerWaalsContact CA-O 3.23Å; T305-T333 WeakPolarHBondContact CA-O 3.41Å; T305-T333 HydrophobicContact CG2-CG2 4.1Å; V306-T333 PolarHBondContact N-O 2.98Å; T333-E335 HydrophobicContact CG2-CG 4.12Å
334	V	95.3	Very high	92.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.9	178.6	-172.5	0	0	0	0	108.7	V306 F308 I324 M327 M328 I389	V306-V334 WeakPolarHBondContact O-CA 3.19Å; F308-V334 HydrophobicContact CD1-CG1 4.44Å; F308-V334 HydrophobicContact CE1-CG1 3.67Å; I324-V334 HydrophobicContact CG1-CG1 4.29Å; I324-V334 HydrophobicContact CG2-CB 4.33Å; I324-V334 HydrophobicContact CG2-CG1 4.27Å; I324-V334 HydrophobicContact CG2-CG2 4.5Å; M327-V334 HydrophobicContact CB-CG2 3.84Å; M327-V334 HydrophobicContact CE-CG1 4.29Å; M327-V334 HydrophobicContact CE-CG2 4Å; M328-V334 HydrophobicContact CE-CB 3.97Å; M328-V334 HydrophobicContact CE-CG2 4.47Å; M328-V334 HydrophobicContact CG-CG2 4.09Å; V334-I389 HydrophobicContact CG1-CD1 4.14Å; V334-I389 HydrophobicContact CG1-CG1 4.24Å
335	E	93.1	Very high	91.6	Very high	62 Å²	62	34.2 Å²	34.2	29%	0.29	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	154.9	-174.6	-73.1	178.1	-176	0	0	110.7	V306 K307 F308 T333 I389	V306-E335 PolarHBondContact O-N 3.1Å; K307-E335 VanDerWaalsContact CA-O 3.28Å; K307-E335 WeakPolarHBondContact CA-O 3.19Å; K307-E335 WeakPolarHBondContact CE-OE2 3.47Å; K307-E335 HydrophobicContact CG-CB 4.11Å; K307-E335 IonicContact NZ-OE2 3.98Å; K307-E335 PolarHBondContact NZ-OE2 3.33Å; F308-E335 PolarHBondContact N-O 3.37Å; T333-E335 HydrophobicContact CG2-CG 4.12Å; E335-I389 VanDerWaalsContact C-CD1 3.47Å
336	P	91.8	Very high	91.1	Very high	10 Å²	10	32.1 Å²	32.1	7%	0.065	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	148.6	166.5	29.5	-33.8	0	0	0	110.8	N338 V382 T385 Q386	P336-N338 PolarHBondContact O-N 2.9Å; P336-N338 VanDerWaalsContact O-N 3.11Å; P336-V382 HydrophobicContact CB-CG1 4.01Å; P336-V382 HydrophobicContact CG-CG1 4.4Å; P336-T385 HydrophobicContact CB-CG2 3.94Å; P336-Q386 HydrophobicContact CG-CB 4.49Å
337	L	91.7	Very high	90.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.189	C	C	.	.			trans	-72.8	103.2	169.6	-178.1	71.4	0	0	0	109.7	F193 Y255 K307 F308 L309 D341 W342 L345 V382	F193-L337 HydrophobicContact CD1-CD2 3.66Å; F193-L337 HydrophobicContact CE1-CD2 3.68Å; Y255-L337 HydrophobicContact CD1-CD1 3.45Å; Y255-L337 VanDerWaalsContact CD1-CD1 3.45Å; Y255-L337 HydrophobicContact CE1-CD1 4.14Å; Y255-L337 HydrophobicContact CG-CD1 4.32Å; K307-L337 HydrophobicContact CB-CB 4.43Å; K307-L337 HydrophobicContact CB-CD1 4.14Å; F308-L337 PolarHBondContact O-N 2.84Å; L309-L337 HydrophobicContact CD1-CD2 3.89Å; L309-L337 HydrophobicContact CD2-CB 3.8Å; L309-L337 HydrophobicContact CD2-CD2 3.84Å; L309-L337 HydrophobicContact CD2-CG 4.06Å; L309-L337 WeakPolarHBondContact CD2-O 3.41Å; L309-L337 HydrophobicContact CG-CB 3.87Å; L309-L337 HydrophobicContact CG-CD2 3.52Å; L309-L337 HydrophobicContact CG-CG 4.16Å; L337-D341 HydrophobicContact CD1-CB 3.77Å; L337-W342 HydrophobicContact CD2-CB 4.22Å; L337-W342 HydrophobicContact CG-CB 4.32Å; L337-L345 HydrophobicContact CD1-CD1 3.91Å; L337-L345 HydrophobicContact CD2-CD1 4.09Å; L337-V382 VanDerWaalsContact O-CG2 3.25Å; L337-V382 WeakPolarHBondContact O-CG2 3.42Å
338	N	88	Confident	89	Confident	25 Å²	25	34.8 Å²	34.8	13%	0.134	20%	0.199	C	C	.	.			trans	-75.1	166.6	-179.6	67.9	54.3	0	0	0	113.1	P336 K340 D341 W342 G567	P336-N338 PolarHBondContact O-N 2.9Å; P336-N338 VanDerWaalsContact O-N 3.11Å; N338-K340 VanDerWaalsContact C-N 3.34Å; N338-K340 PolarHBondContact O-N 3.03Å; N338-K340 WeakPolarHBondContact OD1-CB 3.36Å; N338-K340 PolarHBondContact OD1-N 3.06Å; N338-D341 PolarHBondContact ND2-OD2 3.36Å; N338-D341 PolarHBondContact O-N 2.87Å; N338-D341 WeakPolarHBondContact OD1-CB 3.46Å; N338-D341 PolarHBondContact OD1-N 2.99Å; N338-D341 PolarHBondContact OD1-OD2 2.93Å; N338-W342 VanDerWaalsContact O-CB 3.31Å; N338-W342 WeakPolarHBondContact O-CB 3.4Å; N338-W342 PolarHBondContact O-N 3.49Å; N338-G567 WeakPolarHBondContact CB-O 3.38Å
339	M	87.8	Confident	87.1	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-59.6	-39.9	-179.3	-175.5	-170.8	-76.1	0	0	112.8	W342 I343 R370 W373 V563	M339-W342 PolarHBondContact O-N 3.26Å; M339-I343 HydrophobicContact CG-CD1 3.9Å; M339-I343 HydrophobicContact CG-CG1 4.24Å; M339-I343 WeakPolarHBondContact O-CB 3.26Å; M339-I343 WeakPolarHBondContact O-CG1 3.33Å; M339-I343 PolarHBondContact O-N 2.65Å; M339-I343 HydrophobicContact SD-CD1 4.42Å; M339-R370 HydrophobicContact CE-CG 3.95Å; M339-R370 HydrophobicContact SD-CB 4.41Å; M339-R370 HydrophobicContact SD-CG 4.04Å; M339-W373 HydrophobicContact CB-CD2 4.11Å; M339-W373 HydrophobicContact CB-CE3 4.2Å; M339-W373 HydrophobicContact CB-CH2 4.32Å; M339-W373 HydrophobicContact CB-CZ2 4.22Å; M339-W373 HydrophobicContact CB-CZ3 4.32Å; M339-W373 HydrophobicContact CE-CB 3.99Å; M339-W373 HydrophobicContact CE-CD2 3.94Å; M339-W373 HydrophobicContact CE-CG 3.44Å; M339-W373 VanDerWaalsContact CE-CG 3.44Å; M339-W373 HydrophobicContact CG-CD2 3.98Å; M339-W373 HydrophobicContact CG-CE3 4.13Å; M339-W373 HydrophobicContact CG-CG 4.21Å; M339-V563 HydrophobicContact CG-CG1 4.29Å; M339-V563 HydrophobicContact SD-CB 4.25Å; M339-V563 HydrophobicContact SD-CG1 4.24Å; M339-V563 HydrophobicContact SD-CG2 3.82Å
340	K	87.2	Confident	84.9	Confident	117 Å²	117	34.9 Å²	34.9	51%	0.509	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-50.5	-179.1	177.5	-172.3	171.1	-170.8	0	111.3	N338 W342 I343 S344 V563	N338-K340 VanDerWaalsContact C-N 3.34Å; N338-K340 PolarHBondContact O-N 3.03Å; N338-K340 WeakPolarHBondContact OD1-CB 3.36Å; N338-K340 PolarHBondContact OD1-N 3.06Å; K340-W342 VanDerWaalsContact C-N 3.34Å; K340-I343 PolarHBondContact O-N 2.94Å; K340-S344 PolarHBondContact O-N 3.25Å; K340-S344 VanDerWaalsContact O-N 3.13Å; K340-V563 HydrophobicContact CB-CG1 3.96Å
341	D	89.1	Confident	82.8	Confident	23 Å²	23	38.5 Å²	38.5	12%	0.123	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-42.7	178.3	-69	-28.2	0	0	0	110	Y255 K307 L337 N338 I343 S344 L345	Y255-D341 HydrophobicContact CD1-CB 4.42Å; Y255-D341 HydrophobicContact CE1-CB 3.81Å; K307-D341 WeakPolarHBondContact CD-OD2 3.21Å; K307-D341 IonicContact NZ-OD2 2.62Å; K307-D341 PolarHBondContact NZ-OD2 3.11Å; L337-D341 HydrophobicContact CD1-CB 3.77Å; N338-D341 PolarHBondContact ND2-OD2 3.36Å; N338-D341 PolarHBondContact O-N 2.87Å; N338-D341 WeakPolarHBondContact OD1-CB 3.46Å; N338-D341 PolarHBondContact OD1-N 2.99Å; N338-D341 PolarHBondContact OD1-OD2 2.93Å; D341-I343 PolarHBondContact O-N 3.02Å; D341-S344 WeakPolarHBondContact O-CB 3.34Å; D341-S344 PolarHBondContact O-N 3.32Å; D341-L345 VanDerWaalsContact O-CG 3.28Å; D341-L345 WeakPolarHBondContact O-CG 3.46Å; D341-L345 PolarHBondContact O-N 2.74Å; D341-L345 VanDerWaalsContact O-N 3.09Å
342	W	89.8	Confident	80.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-47.8	175.5	179.5	89.9	0	0	0	112.8	F193 M194 L337 N338 M339 K340 S344 L345 V346 Y369 L372 W373 L378	F193-W342 PolarHBondContact O-NE1 2.73Å; F193-W342 VanDerWaalsContact O-NE1 3.09Å; M194-W342 HydrophobicContact CE-CH2 4.25Å; M194-W342 HydrophobicContact CE-CZ2 4.11Å; M194-W342 HydrophobicContact SD-CH2 3.68Å; M194-W342 HydrophobicContact SD-CZ2 3.25Å; M194-W342 WeakPolarHBondContact SD-CZ2 3.43Å; L337-W342 HydrophobicContact CD2-CB 4.22Å; L337-W342 HydrophobicContact CG-CB 4.32Å; N338-W342 VanDerWaalsContact O-CB 3.31Å; N338-W342 WeakPolarHBondContact O-CB 3.4Å; N338-W342 PolarHBondContact O-N 3.49Å; M339-W342 PolarHBondContact O-N 3.26Å; K340-W342 VanDerWaalsContact C-N 3.34Å; W342-S344 PolarHBondContact O-N 2.82Å; W342-L345 WeakPolarHBondContact O-CA 3.47Å; W342-L345 WeakPolarHBondContact O-CB 3.49Å; W342-L345 PolarHBondContact O-N 3.34Å; W342-V346 HydrophobicContact CD2-CG1 4.25Å; W342-V346 HydrophobicContact CD2-CG2 3.84Å; W342-V346 HydrophobicContact CE3-CG2 3.72Å; W342-V346 HydrophobicContact CH2-CG2 3.84Å; W342-V346 HydrophobicContact CZ2-CG1 4.26Å; W342-V346 HydrophobicContact CZ2-CG2 3.96Å; W342-V346 HydrophobicContact CZ3-CG2 3.71Å; W342-V346 WeakPolarHBondContact O-CG2 3.23Å; W342-V346 PolarHBondContact O-N 3.38Å; W342-Y369 HydrophobicContact CH2-CD1 4.38Å; W342-Y369 HydrophobicContact CZ3-CD1 4.12Å; W342-Y369 WeakPolarHBondContact CZ3-O 3.17Å; W342-L372 HydrophobicContact CH2-CB 4.26Å; W342-W373 HydrophobicContact CB-CE3 4.11Å; W342-W373 HydrophobicContact CB-CZ3 3.51Å; W342-W373 AromaticContact CD1-CZ3 3.98Å; W342-W373 AromaticContact CD2-CE3 3.55Å; W342-W373 HydrophobicContact CD2-CE3 3.55Å; W342-W373 AromaticContact CD2-CZ3 3.8Å; W342-W373 HydrophobicContact CD2-CZ3 3.8Å; W342-W373 AromaticContact CE3-CE3 3.6Å; W342-W373 HydrophobicContact CE3-CE3 3.6Å; W342-W373 HydrophobicContact CE3-CZ3 4.21Å; W342-W373 AromaticContact CG-CE3 3.8Å; W342-W373 HydrophobicContact CG-CE3 3.8Å; W342-W373 AromaticContact CG-CZ3 3.49Å; W342-W373 HydrophobicContact CG-CZ3 3.49Å; W342-W373 VanDerWaalsContact CG-CZ3 3.49Å; W342-W373 HydrophobicContact CH2-CB 4.41Å; W342-W373 HydrophobicContact CZ3-CB 4.15Å; W342-W373 HydrophobicContact CZ3-CE3 4.15Å; W342-L378 HydrophobicContact CD2-CD1 4.22Å; W342-L378 VanDerWaalsContact CE2-CD1 3.44Å; W342-L378 HydrophobicContact CH2-CD1 4.22Å; W342-L378 HydrophobicContact CZ2-CD1 3.42Å; W342-L378 VanDerWaalsContact CZ2-CD1 3.42Å
343	I	86.4	Confident	78.2	Confident	17 Å²	17	47 Å²	47	9%	0.087	27%	0.27	C	S	.	.	H	α-helix	trans	-55.6	-44.7	175.9	-70	174.4	0	0	0	109.4	M339 K340 D341 L345 V346 S347 Y369 V563	M339-I343 HydrophobicContact CG-CD1 3.9Å; M339-I343 HydrophobicContact CG-CG1 4.24Å; M339-I343 WeakPolarHBondContact O-CB 3.26Å; M339-I343 WeakPolarHBondContact O-CG1 3.33Å; M339-I343 PolarHBondContact O-N 2.65Å; M339-I343 HydrophobicContact SD-CD1 4.42Å; K340-I343 PolarHBondContact O-N 2.94Å; D341-I343 PolarHBondContact O-N 3.02Å; I343-L345 PolarHBondContact O-N 2.83Å; I343-V346 PolarHBondContact O-N 3.16Å; I343-S347 WeakPolarHBondContact O-CA 3.19Å; I343-S347 WeakPolarHBondContact O-CB 3.31Å; I343-S347 PolarHBondContact O-N 3.47Å; I343-S347 PolarHBondContact O-OG 3.38Å; I343-S347 VanDerWaalsContact O-OG 3.08Å; I343-Y369 HydrophobicContact CG2-CG 4.48Å; I343-V563 HydrophobicContact CD1-CG1 3.95Å; I343-V563 HydrophobicContact CD1-CG2 3.83Å
344	S	83.9	Confident	76.3	Confident	87 Å²	87	46.3 Å²	46.3	61%	0.608	27%	0.267	S	S	*	.	H	α-helix	trans	-62.3	-26.9	177.8	-172	0	0	0	0	113.8	K340 D341 W342	K340-S344 PolarHBondContact O-N 3.25Å; K340-S344 VanDerWaalsContact O-N 3.13Å; D341-S344 WeakPolarHBondContact O-CB 3.34Å; D341-S344 PolarHBondContact O-N 3.32Å; W342-S344 PolarHBondContact O-N 2.82Å
345	L	84.4	Confident	74.4	Confident	34 Å²	34	51.5 Å²	51.5	18%	0.178	30%	0.301	C	S	.	.	H	α-helix	trans	-84.3	-33.5	178.8	-65.4	167.3	0	0	0	112.5	F193 V205 Y255 L337 D341 W342 I343	F193-L345 HydrophobicContact CD1-CD1 4.29Å; F193-L345 HydrophobicContact CE1-CD1 3.89Å; F193-L345 HydrophobicContact CZ-CD1 4.1Å; V205-L345 HydrophobicContact CB-CD2 3.8Å; V205-L345 HydrophobicContact CG1-CD2 3.67Å; V205-L345 HydrophobicContact CG2-CD2 4.04Å; Y255-L345 HydrophobicContact CD1-CD1 3.99Å; Y255-L345 HydrophobicContact CD2-CD1 4.34Å; Y255-L345 HydrophobicContact CD2-CD2 3.86Å; Y255-L345 HydrophobicContact CE2-CD2 4.4Å; Y255-L345 HydrophobicContact CG-CD1 3.72Å; Y255-L345 HydrophobicContact CG-CD2 4.1Å; Y255-L345 HydrophobicContact CG-CG 4.44Å; L337-L345 HydrophobicContact CD1-CD1 3.91Å; L337-L345 HydrophobicContact CD2-CD1 4.09Å; D341-L345 VanDerWaalsContact O-CG 3.28Å; D341-L345 WeakPolarHBondContact O-CG 3.46Å; D341-L345 PolarHBondContact O-N 2.74Å; D341-L345 VanDerWaalsContact O-N 3.09Å; W342-L345 WeakPolarHBondContact O-CA 3.47Å; W342-L345 WeakPolarHBondContact O-CB 3.49Å; W342-L345 PolarHBondContact O-N 3.34Å; I343-L345 PolarHBondContact O-N 2.83Å
346	V	82.7	Confident	72.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-101.7	-15	-175.1	-56.4	0	0	0	0	114.1	R190 F193 M194 W342 I343 T348 Y369	R190-V346 WeakPolarHBondContact CD-O 3.48Å; R190-V346 HydrophobicContact CG-CB 3.9Å; R190-V346 HydrophobicContact CG-CG1 4.07Å; F193-V346 HydrophobicContact CB-CG1 3.93Å; M194-V346 HydrophobicContact CG-CG1 4.42Å; M194-V346 HydrophobicContact SD-CB 4.27Å; M194-V346 HydrophobicContact SD-CG1 4.19Å; M194-V346 HydrophobicContact SD-CG2 4.34Å; W342-V346 HydrophobicContact CD2-CG1 4.25Å; W342-V346 HydrophobicContact CD2-CG2 3.84Å; W342-V346 HydrophobicContact CE3-CG2 3.72Å; W342-V346 HydrophobicContact CH2-CG2 3.84Å; W342-V346 HydrophobicContact CZ2-CG1 4.26Å; W342-V346 HydrophobicContact CZ2-CG2 3.96Å; W342-V346 HydrophobicContact CZ3-CG2 3.71Å; W342-V346 WeakPolarHBondContact O-CG2 3.23Å; W342-V346 PolarHBondContact O-N 3.38Å; I343-V346 PolarHBondContact O-N 3.16Å; V346-T348 PolarHBondContact O-N 3.17Å; V346-Y369 HydrophobicContact CB-CE1 4.39Å; V346-Y369 HydrophobicContact CG2-CD1 3.63Å; V346-Y369 HydrophobicContact CG2-CE1 3.64Å; V346-Y369 PolarHBondContact O-OH 3.25Å
347	S	79.3	Confident	71.3	Confident	43 Å²	43	57.6 Å²	57.6	30%	0.301	33%	0.331	S	S	.	.			trans	-64.1	118.5	178.2	62.7	0	0	0	0	110	I343 A349 Y369	I343-S347 WeakPolarHBondContact O-CA 3.19Å; I343-S347 WeakPolarHBondContact O-CB 3.31Å; I343-S347 PolarHBondContact O-N 3.47Å; I343-S347 PolarHBondContact O-OG 3.38Å; I343-S347 VanDerWaalsContact O-OG 3.08Å; S347-A349 PolarHBondContact O-N 2.88Å; S347-Y369 WeakPolarHBondContact CA-OH 3.4Å
348	T	66.6	Low	69.8	Low	36 Å²	36	61 Å²	61	22%	0.221	35%	0.348	C	S	.	.			trans	-79.5	118.8	175.3	44.6	0	0	0	0	108.8	V346 D350 Y369	V346-T348 PolarHBondContact O-N 3.17Å; T348-D350 PolarHBondContact O-N 3.26Å; T348-Y369 PolarHBondContact N-OH 3.47Å
349	A	55.5	Low	68.6	Low	74 Å²	74	63 Å²	63	61%	0.612	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-3.9	165	0	0	0	0	0	112.5	S347 D351	S347-A349 PolarHBondContact O-N 2.88Å; A349-D351 VanDerWaalsContact C-N 3.31Å; A349-D351 PolarHBondContact O-N 3.27Å
350	D	50.6	Low	67.5	Low	87 Å²	87	70 Å²	70	47%	0.465	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	8.2	-173.7	-110.8	12.5	0	0	0	114.6	L183 T348 N352	L183-D350 WeakPolarHBondContact CD1-OD2 3.47Å; L183-D350 HydrophobicContact CD2-CB 4.26Å; L183-D350 VanDerWaalsContact CD2-OD2 3.24Å; L183-D350 WeakPolarHBondContact CD2-OD2 3.36Å; T348-D350 PolarHBondContact O-N 3.26Å; D350-N352 PolarHBondContact O-N 2.88Å; D350-N352 VanDerWaalsContact O-N 3.17Å
351	D	48.6	Very low	66.6	Low	85 Å²	85	68.5 Å²	68.5	46%	0.455	40%	0.396	S	S	.	.	S	Bend	trans	-64	116.6	153.4	-72.8	-17.3	0	0	0	105.5	A349 V353	A349-D351 VanDerWaalsContact C-N 3.31Å; A349-D351 PolarHBondContact O-N 3.27Å; D351-V353 HydrophobicContact CB-CB 4Å; D351-V353 HydrophobicContact CB-CG2 3.67Å; D351-V353 PolarHBondContact O-N 2.77Å
352	N	44.9	Very low	65.7	Low	173 Å²	173	73.4 Å²	73.4	93%	0.925	41%	0.413	S	S	*	.			trans	-63.6	42	173.6	-83.3	-45.7	0	0	0	112.5	D350	D350-N352 PolarHBondContact O-N 2.88Å; D350-N352 VanDerWaalsContact O-N 3.17Å
353	V	50.7	Low	64.9	Low	53 Å²	53	73.6 Å²	73.6	32%	0.321	42%	0.415	S	S	.	.			trans	-107.6	124.5	-169.9	175.4	0	0	0	0	104.8	D351 D357 I358	D351-V353 HydrophobicContact CB-CB 4Å; D351-V353 HydrophobicContact CB-CG2 3.67Å; D351-V353 PolarHBondContact O-N 2.77Å; V353-D357 HydrophobicContact CG1-CB 3.25Å; V353-I358 HydrophobicContact CB-CG1 4.2Å; V353-I358 HydrophobicContact CG1-CG1 3.82Å
354	S	54.2	Low	64.5	Low	42 Å²	42	77 Å²	77	29%	0.294	44%	0.437	S	S	.	.			trans	-55.3	152.2	-179.9	72.3	0	0	0	0	110	E356 D357 I358	S354-E356 PolarHBondContact O-N 2.98Å; S354-D357 PolarHBondContact O-N 3.01Å; S354-D357 PolarHBondContact OG-N 3.4Å; S354-D357 PolarHBondContact OG-OD2 3.14Å; S354-I358 PolarHBondContact O-N 3.23Å
355	P	55.4	Low	64.1	Low	111 Å²	111	75.1 Å²	75.1	72%	0.721	42%	0.418	S	S	*	.	H	α-helix	trans	-51.1	-30.3	172.6	-27	34.3	0	0	0	113	A359	P355-A359 WeakPolarHBondContact O-CB 3.48Å; P355-A359 PolarHBondContact O-N 3.37Å
356	E	58.6	Low	64	Low	140 Å²	140	74 Å²	74	65%	0.654	41%	0.412	S	S	*	.	H	α-helix	trans	-69	-39.4	174.9	-61.2	-179.4	-177.9	0	0	112.7	S354 A359 K360	S354-E356 PolarHBondContact O-N 2.98Å; E356-A359 PolarHBondContact O-N 3.42Å; E356-K360 WeakPolarHBondContact O-CG 3.25Å; E356-K360 PolarHBondContact O-N 2.88Å
357	D	61.3	Low	63.9	Low	61 Å²	61	74.9 Å²	74.9	33%	0.326	42%	0.42	S	S	.	.	H	α-helix	trans	-76.7	-31.3	178.1	-63.5	-40.3	0	0	0	111.7	V353 S354 A359 K360 N361	V353-D357 HydrophobicContact CG1-CB 3.25Å; S354-D357 PolarHBondContact O-N 3.01Å; S354-D357 PolarHBondContact OG-N 3.4Å; S354-D357 PolarHBondContact OG-OD2 3.14Å; D357-A359 VanDerWaalsContact C-N 3.32Å; D357-K360 PolarHBondContact O-N 3.03Å; D357-K360 IonicContact OD1-NZ 3.4Å; D357-K360 PolarHBondContact OD1-NZ 3.4Å; D357-N361 VanDerWaalsContact O-CB 3.28Å; D357-N361 WeakPolarHBondContact O-CB 3.41Å; D357-N361 PolarHBondContact O-N 2.78Å
358	I	61.3	Low	64.2	Low	72 Å²	72	79.5 Å²	79.5	37%	0.369	43%	0.431	S	S	.	.	H	α-helix	trans	-62	-43	167.4	-62.6	175.3	0	0	0	109.6	V353 S354 K360 N361 R362	V353-I358 HydrophobicContact CB-CG1 4.2Å; V353-I358 HydrophobicContact CG1-CG1 3.82Å; S354-I358 PolarHBondContact O-N 3.23Å; I358-K360 PolarHBondContact O-N 3.35Å; I358-N361 CarbonylContact O-C 3.41Å; I358-N361 PolarHBondContact O-N 3.26Å; I358-R362 VanDerWaalsContact O-CA 3.26Å; I358-R362 WeakPolarHBondContact O-CA 3.21Å; I358-R362 WeakPolarHBondContact O-CB 3.47Å; I358-R362 PolarHBondContact O-N 3.14Å
359	A	63	Low	65.1	Low	67 Å²	67	78.3 Å²	78.3	55%	0.554	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-40.9	177.1	0	0	0	0	0	112.1	P355 E356 D357 R362	P355-A359 WeakPolarHBondContact O-CB 3.48Å; P355-A359 PolarHBondContact O-N 3.37Å; E356-A359 PolarHBondContact O-N 3.42Å; D357-A359 VanDerWaalsContact C-N 3.32Å; A359-R362 WeakPolarHBondContact O-CB 3.45Å
360	K	63.9	Low	66.6	Low	147 Å²	147	76.2 Å²	76.2	64%	0.639	40%	0.399	S	S	*	.	H	α-helix	trans	-66.3	-40.3	175.4	-71.5	171.3	-166	158.1	0	112.6	E356 D357 I358	E356-K360 WeakPolarHBondContact O-CG 3.25Å; E356-K360 PolarHBondContact O-N 2.88Å; D357-K360 PolarHBondContact O-N 3.03Å; D357-K360 IonicContact OD1-NZ 3.4Å; D357-K360 PolarHBondContact OD1-NZ 3.4Å; I358-K360 PolarHBondContact O-N 3.35Å
361	N	68.8	Low	68.3	Low	86 Å²	86	75.4 Å²	75.4	46%	0.46	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	15.2	-178	-67.9	-25	0	0	0	113	D357 I358 G363 T364 H365	D357-N361 VanDerWaalsContact O-CB 3.28Å; D357-N361 WeakPolarHBondContact O-CB 3.41Å; D357-N361 PolarHBondContact O-N 2.78Å; I358-N361 CarbonylContact O-C 3.41Å; I358-N361 PolarHBondContact O-N 3.26Å; N361-G363 PolarHBondContact O-N 2.88Å; N361-T364 WeakPolarHBondContact CB-OG1 3.1Å; N361-T364 PolarHBondContact O-N 3.34Å; N361-T364 VanDerWaalsContact O-N 3.1Å; N361-T364 PolarHBondContact O-OG1 3.19Å; N361-H365 WeakPolarHBondContact O-CB 3.45Å; N361-H365 PolarHBondContact O-N 3.42Å
362	R	70.2	Confident	70.1	Confident	126 Å²	126	73.3 Å²	73.3	48%	0.475	38%	0.383	S	S	.	.	H	α-helix	trans	-57.6	-40.1	-176.3	-175.5	175.9	175.5	179.9	-1.2	111.6	I358 A359 I366 A556	I358-R362 VanDerWaalsContact O-CA 3.26Å; I358-R362 WeakPolarHBondContact O-CA 3.21Å; I358-R362 WeakPolarHBondContact O-CB 3.47Å; I358-R362 PolarHBondContact O-N 3.14Å; A359-R362 WeakPolarHBondContact O-CB 3.45Å; R362-I366 HydrophobicContact CG-CD1 3.82Å; R362-I366 HydrophobicContact CG-CG1 4.47Å; R362-I366 WeakPolarHBondContact O-CB 3.44Å; R362-I366 VanDerWaalsContact O-CG1 3.24Å; R362-I366 WeakPolarHBondContact O-CG1 3.44Å; R362-I366 PolarHBondContact O-N 2.95Å; R362-A556 HydrophobicContact CB-CB 4.29Å
363	G	72.4	Confident	72.1	Confident	5 Å²	5	65.5 Å²	65.5	5%	0.052	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-48.6	175.7	0	0	0	0	0	112.6	N361 H365 I366 A367	N361-G363 PolarHBondContact O-N 2.88Å; G363-H365 PolarHBondContact O-N 3.11Å; G363-I366 PolarHBondContact O-N 3.12Å; G363-A367 VanDerWaalsContact O-CB 3.31Å; G363-A367 WeakPolarHBondContact O-CB 3.24Å; G363-A367 PolarHBondContact O-N 2.69Å
364	T	77.5	Confident	73.7	Confident	88 Å²	88	66.4 Å²	66.4	54%	0.54	34%	0.342	S	S	.	.	H	α-helix	trans	-67.9	-37.5	-179.4	52	0	0	0	0	112.4	N361 A367 Y368	N361-T364 WeakPolarHBondContact CB-OG1 3.1Å; N361-T364 PolarHBondContact O-N 3.34Å; N361-T364 VanDerWaalsContact O-N 3.1Å; N361-T364 PolarHBondContact O-OG1 3.19Å; T364-A367 PolarHBondContact O-N 3Å; T364-Y368 WeakPolarHBondContact O-CB 3.44Å; T364-Y368 PolarHBondContact O-N 3.37Å
365	H	76.2	Confident	75.2	Confident	47 Å²	47	70.6 Å²	70.6	22%	0.218	36%	0.361	C	S	.	.	H	α-helix	trans	-63.9	-49	175.6	176.5	-82.1	0	0	0	111.1	N361 G363 A367 Y368 Y369	N361-H365 WeakPolarHBondContact O-CB 3.45Å; N361-H365 PolarHBondContact O-N 3.42Å; G363-H365 PolarHBondContact O-N 3.11Å; H365-A367 VanDerWaalsContact C-N 3.33Å; H365-A367 PolarHBondContact O-N 3.38Å; H365-Y368 PolarHBondContact O-N 2.91Å; H365-Y369 AromaticContact CD2-CE2 3.82Å; H365-Y369 AromaticContact CE1-CD2 3.6Å; H365-Y369 AromaticContact CE1-CE2 3.44Å; H365-Y369 VanDerWaalsContact CE1-CE2 3.44Å; H365-Y369 WeakPolarHBondContact CE1-CE2 3.4Å; H365-Y369 AromaticContact ND1-CD2 3.88Å; H365-Y369 AromaticContact NE2-CD2 3.9Å; H365-Y369 AromaticContact NE2-CE2 3.28Å; H365-Y369 VanDerWaalsContact NE2-CE2 3.28Å; H365-Y369 WeakPolarHBondContact NE2-CE2 3.26Å; H365-Y369 VanDerWaalsContact O-CD2 3.32Å; H365-Y369 WeakPolarHBondContact O-CD2 3.32Å; H365-Y369 PolarHBondContact O-N 3.44Å
366	I	82.5	Confident	76.5	Confident	12 Å²	12	67.3 Å²	67.3	6%	0.062	34%	0.34	C	S	.	.	H	α-helix	trans	-62.4	-42.3	177.7	-67.6	171.1	0	0	0	111.1	R362 G363 Y368 Y369 R370 Q559 Q560 V563	R362-I366 HydrophobicContact CG-CD1 3.82Å; R362-I366 HydrophobicContact CG-CG1 4.47Å; R362-I366 WeakPolarHBondContact O-CB 3.44Å; R362-I366 VanDerWaalsContact O-CG1 3.24Å; R362-I366 WeakPolarHBondContact O-CG1 3.44Å; R362-I366 PolarHBondContact O-N 2.95Å; G363-I366 PolarHBondContact O-N 3.12Å; I366-Y368 PolarHBondContact O-N 3.23Å; I366-Y369 PolarHBondContact O-N 3.28Å; I366-R370 WeakPolarHBondContact O-CB 3.49Å; I366-R370 PolarHBondContact O-N 3.38Å; I366-Q559 HydrophobicContact CB-CB 4.09Å; I366-Q559 HydrophobicContact CG2-CB 3.79Å; I366-Q560 HydrophobicContact CD1-CB 4.49Å; I366-V563 HydrophobicContact CG2-CB 4.47Å; I366-V563 HydrophobicContact CG2-CG2 3.35Å
367	A	81.4	Confident	77.7	Confident	18 Å²	18	65.3 Å²	65.3	15%	0.149	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-44.9	177.3	0	0	0	0	0	112	G363 T364 H365 Y369 R370 D371 Q559	G363-A367 VanDerWaalsContact O-CB 3.31Å; G363-A367 WeakPolarHBondContact O-CB 3.24Å; G363-A367 PolarHBondContact O-N 2.69Å; T364-A367 PolarHBondContact O-N 3Å; H365-A367 VanDerWaalsContact C-N 3.33Å; H365-A367 PolarHBondContact O-N 3.38Å; A367-Y369 PolarHBondContact O-N 2.83Å; A367-R370 PolarHBondContact O-N 3.42Å; A367-D371 PolarHBondContact O-N 3.06Å; A367-Q559 HydrophobicContact CB-CG 4.45Å
368	Y	85.1	Confident	78.9	Confident	139 Å²	139	62.4 Å²	62.4	55%	0.545	32%	0.319	S	S	.	.	H	α-helix	trans	-56.1	-48.6	177	171.4	-103.2	0	0	0	112.6	T364 H365 I366 D371 L372	T364-Y368 WeakPolarHBondContact O-CB 3.44Å; T364-Y368 PolarHBondContact O-N 3.37Å; H365-Y368 PolarHBondContact O-N 2.91Å; I366-Y368 PolarHBondContact O-N 3.23Å; Y368-D371 PolarHBondContact O-N 3.03Å; Y368-L372 HydrophobicContact CD1-CD1 3.97Å; Y368-L372 HydrophobicContact CE1-CD1 3.33Å; Y368-L372 HydrophobicContact CE1-CG 4.27Å; Y368-L372 HydrophobicContact CE2-CD1 4.22Å; Y368-L372 HydrophobicContact CE2-CG 4.38Å; Y368-L372 VanDerWaalsContact CZ-CD1 3.49Å; Y368-L372 PolarHBondContact O-N 3.37Å
369	Y	86	Confident	80	Confident	11 Å²	11	61.3 Å²	61.3	4%	0.043	32%	0.32	C	S	.	.	H	α-helix	trans	-71.6	-31.2	179.7	-77.1	-77.3	0	0	0	113.3	W342 I343 V346 S347 T348 H365 I366 A367 L372 W373	W342-Y369 HydrophobicContact CH2-CD1 4.38Å; W342-Y369 HydrophobicContact CZ3-CD1 4.12Å; W342-Y369 WeakPolarHBondContact CZ3-O 3.17Å; I343-Y369 HydrophobicContact CG2-CG 4.48Å; V346-Y369 HydrophobicContact CB-CE1 4.39Å; V346-Y369 HydrophobicContact CG2-CD1 3.63Å; V346-Y369 HydrophobicContact CG2-CE1 3.64Å; V346-Y369 PolarHBondContact O-OH 3.25Å; S347-Y369 WeakPolarHBondContact CA-OH 3.4Å; T348-Y369 PolarHBondContact N-OH 3.47Å; H365-Y369 AromaticContact CD2-CE2 3.82Å; H365-Y369 AromaticContact CE1-CD2 3.6Å; H365-Y369 AromaticContact CE1-CE2 3.44Å; H365-Y369 VanDerWaalsContact CE1-CE2 3.44Å; H365-Y369 WeakPolarHBondContact CE1-CE2 3.4Å; H365-Y369 AromaticContact ND1-CD2 3.88Å; H365-Y369 AromaticContact NE2-CD2 3.9Å; H365-Y369 AromaticContact NE2-CE2 3.28Å; H365-Y369 VanDerWaalsContact NE2-CE2 3.28Å; H365-Y369 WeakPolarHBondContact NE2-CE2 3.26Å; H365-Y369 VanDerWaalsContact O-CD2 3.32Å; H365-Y369 WeakPolarHBondContact O-CD2 3.32Å; H365-Y369 PolarHBondContact O-N 3.44Å; I366-Y369 PolarHBondContact O-N 3.28Å; A367-Y369 PolarHBondContact O-N 2.83Å; Y369-L372 HydrophobicContact CD1-CD1 4.04Å; Y369-L372 HydrophobicContact CE1-CD1 4.32Å; Y369-L372 PolarHBondContact O-N 3.09Å; Y369-W373 WeakPolarHBondContact O-CB 3.28Å; Y369-W373 PolarHBondContact O-N 3.44Å
370	R	85.2	Confident	80.9	Confident	31 Å²	31	62.6 Å²	62.6	12%	0.117	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-45.6	171.3	-173.7	-165.4	65.2	-151.3	-13.1	110.9	M339 I366 A367 L372 W373 E374 L562	M339-R370 HydrophobicContact CE-CG 3.95Å; M339-R370 HydrophobicContact SD-CB 4.41Å; M339-R370 HydrophobicContact SD-CG 4.04Å; I366-R370 WeakPolarHBondContact O-CB 3.49Å; I366-R370 PolarHBondContact O-N 3.38Å; A367-R370 PolarHBondContact O-N 3.42Å; R370-L372 VanDerWaalsContact C-N 3.3Å; R370-L372 PolarHBondContact O-N 3.06Å; R370-W373 WeakPolarHBondContact O-CB 3.49Å; R370-W373 PolarHBondContact O-N 3.43Å; R370-W373 VanDerWaalsContact O-N 3.14Å; R370-E374 IonicContact NE-OE1 2.88Å; R370-E374 WeakPolarHBondContact O-CG 3.41Å; R370-E374 PolarHBondContact O-N 3.49Å; R370-L562 VanDerWaalsContact NH1-CD1 3.34Å
371	D	86.7	Confident	82	Confident	70 Å²	70	58.2 Å²	58.2	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-65	-37.5	179.3	-63	-6.6	0	0	0	110.6	A367 Y368 E374 N375	A367-D371 PolarHBondContact O-N 3.06Å; Y368-D371 PolarHBondContact O-N 3.03Å; D371-E374 PolarHBondContact O-N 2.82Å; D371-N375 VanDerWaalsContact O-CB 3.29Å; D371-N375 WeakPolarHBondContact O-CB 3.28Å; D371-N375 PolarHBondContact O-N 2.99Å; D371-N375 PolarHBondContact O-ND2 2.82Å
372	L	86.2	Confident	82.8	Confident	41 Å²	41	54.8 Å²	54.8	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-42.3	171	-78.6	175.8	0	0	0	113	M194 W342 Y368 Y369 R370 S376	M194-L372 HydrophobicContact CE-CB 4.3Å; M194-L372 HydrophobicContact CE-CD1 4.05Å; M194-L372 HydrophobicContact CE-CD2 4.25Å; M194-L372 HydrophobicContact CE-CG 4.46Å; W342-L372 HydrophobicContact CH2-CB 4.26Å; Y368-L372 HydrophobicContact CD1-CD1 3.97Å; Y368-L372 HydrophobicContact CE1-CD1 3.33Å; Y368-L372 HydrophobicContact CE1-CG 4.27Å; Y368-L372 HydrophobicContact CE2-CD1 4.22Å; Y368-L372 HydrophobicContact CE2-CG 4.38Å; Y368-L372 VanDerWaalsContact CZ-CD1 3.49Å; Y368-L372 PolarHBondContact O-N 3.37Å; Y369-L372 HydrophobicContact CD1-CD1 4.04Å; Y369-L372 HydrophobicContact CE1-CD1 4.32Å; Y369-L372 PolarHBondContact O-N 3.09Å; R370-L372 VanDerWaalsContact C-N 3.3Å; R370-L372 PolarHBondContact O-N 3.06Å; L372-S376 VanDerWaalsContact O-CB 3.23Å; L372-S376 WeakPolarHBondContact O-CB 3.25Å; L372-S376 PolarHBondContact O-N 3.01Å; L372-S376 PolarHBondContact O-OG 3.06Å
373	W	87	Confident	83.4	Confident	9 Å²	9	53 Å²	53	3%	0.034	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-47.3	177	173.8	-77.5	0	0	0	111.6	L309 M339 W342 Y369 R370 S376 N377 L378 V382	L309-W373 HydrophobicContact CD2-CH2 3.87Å; L309-W373 HydrophobicContact CD2-CZ3 4.06Å; M339-W373 HydrophobicContact CB-CD2 4.11Å; M339-W373 HydrophobicContact CB-CE3 4.2Å; M339-W373 HydrophobicContact CB-CH2 4.32Å; M339-W373 HydrophobicContact CB-CZ2 4.22Å; M339-W373 HydrophobicContact CB-CZ3 4.32Å; M339-W373 HydrophobicContact CE-CB 3.99Å; M339-W373 HydrophobicContact CE-CD2 3.94Å; M339-W373 HydrophobicContact CE-CG 3.44Å; M339-W373 VanDerWaalsContact CE-CG 3.44Å; M339-W373 HydrophobicContact CG-CD2 3.98Å; M339-W373 HydrophobicContact CG-CE3 4.13Å; M339-W373 HydrophobicContact CG-CG 4.21Å; W342-W373 HydrophobicContact CB-CE3 4.11Å; W342-W373 HydrophobicContact CB-CZ3 3.51Å; W342-W373 AromaticContact CD1-CZ3 3.98Å; W342-W373 AromaticContact CD2-CE3 3.55Å; W342-W373 HydrophobicContact CD2-CE3 3.55Å; W342-W373 AromaticContact CD2-CZ3 3.8Å; W342-W373 HydrophobicContact CD2-CZ3 3.8Å; W342-W373 AromaticContact CE3-CE3 3.6Å; W342-W373 HydrophobicContact CE3-CE3 3.6Å; W342-W373 HydrophobicContact CE3-CZ3 4.21Å; W342-W373 AromaticContact CG-CE3 3.8Å; W342-W373 HydrophobicContact CG-CE3 3.8Å; W342-W373 AromaticContact CG-CZ3 3.49Å; W342-W373 HydrophobicContact CG-CZ3 3.49Å; W342-W373 VanDerWaalsContact CG-CZ3 3.49Å; W342-W373 HydrophobicContact CH2-CB 4.41Å; W342-W373 HydrophobicContact CZ3-CB 4.15Å; W342-W373 HydrophobicContact CZ3-CE3 4.15Å; Y369-W373 WeakPolarHBondContact O-CB 3.28Å; Y369-W373 PolarHBondContact O-N 3.44Å; R370-W373 WeakPolarHBondContact O-CB 3.49Å; R370-W373 PolarHBondContact O-N 3.43Å; R370-W373 VanDerWaalsContact O-N 3.14Å; W373-S376 PolarHBondContact O-N 2.87Å; W373-N377 PolarHBondContact O-N 3.36Å; W373-L378 HydrophobicContact CD2-CB 3.64Å; W373-L378 HydrophobicContact CD2-CD1 4.1Å; W373-L378 HydrophobicContact CD2-CG 4.47Å; W373-L378 HydrophobicContact CE3-CB 3.76Å; W373-L378 HydrophobicContact CE3-CD1 3.55Å; W373-L378 HydrophobicContact CE3-CG 4.3Å; W373-L378 HydrophobicContact CG-CB 4.18Å; W373-L378 HydrophobicContact CH2-CB 4.03Å; W373-L378 HydrophobicContact CZ2-CB 3.93Å; W373-L378 HydrophobicContact CZ3-CB 3.94Å; W373-L378 HydrophobicContact CZ3-CD1 3.94Å; W373-L378 PolarHBondContact O-N 3.36Å; W373-V382 HydrophobicContact CH2-CG2 3.62Å; W373-V382 HydrophobicContact CZ2-CG2 3.64Å
374	E	85.2	Confident	84	Confident	72 Å²	72	55 Å²	55	34%	0.336	29%	0.286	S	S	.	.	H	α-helix	trans	-62.8	-48.8	177.7	-70.1	-179.8	-170.9	0	0	110.8	R370 D371 S376 N377 R412	R370-E374 IonicContact NE-OE1 2.88Å; R370-E374 WeakPolarHBondContact O-CG 3.41Å; R370-E374 PolarHBondContact O-N 3.49Å; D371-E374 PolarHBondContact O-N 2.82Å; E374-S376 PolarHBondContact O-N 2.81Å; E374-N377 PolarHBondContact O-N 3.1Å; E374-N377 VanDerWaalsContact O-N 3.11Å; E374-R412 IonicContact OE1-CZ 3.3Å; E374-R412 IonicContact OE1-NH1 2.64Å; E374-R412 IonicContact OE1-NH2 3.21Å; E374-R412 PolarHBondContact OE1-NH2 2.91Å; E374-R412 IonicContact OE2-NH2 3.43Å; E374-R412 PolarHBondContact OE2-NH2 2.96Å
375	N	84.7	Confident	84.5	Confident	129 Å²	129	50.9 Å²	50.9	69%	0.69	26%	0.261	S	S	*	.	H	α-helix	trans	-66.1	-23	-180	-71.7	-38.5	0	0	0	114	D371 N377	D371-N375 VanDerWaalsContact O-CB 3.29Å; D371-N375 WeakPolarHBondContact O-CB 3.28Å; D371-N375 PolarHBondContact O-N 2.99Å; D371-N375 PolarHBondContact O-ND2 2.82Å; N375-N377 VanDerWaalsContact C-N 3.34Å
376	S	84.3	Confident	85.1	Confident	42 Å²	42	49.1 Å²	49.1	29%	0.294	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	3.2	178.6	-55.4	0	0	0	0	112.8	L372 W373 E374 L378	L372-S376 VanDerWaalsContact O-CB 3.23Å; L372-S376 WeakPolarHBondContact O-CB 3.25Å; L372-S376 PolarHBondContact O-N 3.01Å; L372-S376 PolarHBondContact O-OG 3.06Å; W373-S376 PolarHBondContact O-N 2.87Å; E374-S376 PolarHBondContact O-N 2.81Å; S376-L378 PolarHBondContact O-N 2.8Å
377	N	83.2	Confident	85.3	Confident	99 Å²	99	53.2 Å²	53.2	53%	0.529	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	34.9	-176.3	-59.6	-40.8	0	0	0	113.2	W373 E374 N375 A379 D380	W373-N377 PolarHBondContact O-N 3.36Å; E374-N377 PolarHBondContact O-N 3.1Å; E374-N377 VanDerWaalsContact O-N 3.11Å; N375-N377 VanDerWaalsContact C-N 3.34Å; N377-A379 PolarHBondContact O-N 3.47Å; N377-D380 PolarHBondContact O-N 2.96Å
378	L	86.2	Confident	85.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-69.7	-22.6	-179	-64.5	-179.4	0	0	0	112.5	P196 W342 W373 S376 D380 Y381 V382	P196-L378 HydrophobicContact CG-CD2 4.23Å; W342-L378 HydrophobicContact CD2-CD1 4.22Å; W342-L378 VanDerWaalsContact CE2-CD1 3.44Å; W342-L378 HydrophobicContact CH2-CD1 4.22Å; W342-L378 HydrophobicContact CZ2-CD1 3.42Å; W342-L378 VanDerWaalsContact CZ2-CD1 3.42Å; W373-L378 HydrophobicContact CD2-CB 3.64Å; W373-L378 HydrophobicContact CD2-CD1 4.1Å; W373-L378 HydrophobicContact CD2-CG 4.47Å; W373-L378 HydrophobicContact CE3-CB 3.76Å; W373-L378 HydrophobicContact CE3-CD1 3.55Å; W373-L378 HydrophobicContact CE3-CG 4.3Å; W373-L378 HydrophobicContact CG-CB 4.18Å; W373-L378 HydrophobicContact CH2-CB 4.03Å; W373-L378 HydrophobicContact CZ2-CB 3.93Å; W373-L378 HydrophobicContact CZ3-CB 3.94Å; W373-L378 HydrophobicContact CZ3-CD1 3.94Å; W373-L378 PolarHBondContact O-N 3.36Å; S376-L378 PolarHBondContact O-N 2.8Å; L378-D380 VanDerWaalsContact C-N 3.28Å; L378-D380 PolarHBondContact O-N 3.46Å; L378-Y381 HydrophobicContact CD2-CD2 4.12Å; L378-Y381 PolarHBondContact O-N 3Å; L378-V382 PolarHBondContact O-N 3.06Å; L378-V382 VanDerWaalsContact O-N 3.13Å
379	A	83.5	Confident	86	Confident	49 Å²	49	47 Å²	47	41%	0.405	25%	0.246	S	C	.	.	H	α-helix	trans	-58.9	-38.6	172.9	0	0	0	0	0	112.3	N377 Y381 V382 M383	N377-A379 PolarHBondContact O-N 3.47Å; A379-Y381 VanDerWaalsContact C-N 3.33Å; A379-Y381 PolarHBondContact O-N 3.05Å; A379-V382 PolarHBondContact O-N 3.01Å; A379-M383 WeakPolarHBondContact O-CB 3.4Å; A379-M383 PolarHBondContact O-N 3.46Å
380	D	83.5	Confident	86.3	Confident	93 Å²	93	47.1 Å²	47.1	50%	0.497	25%	0.247	S	C	.	.	H	α-helix	trans	-64.9	-39.6	179.9	-64.9	-17	0	0	0	111.5	N377 L378 M383 Q384	N377-D380 PolarHBondContact O-N 2.96Å; L378-D380 VanDerWaalsContact C-N 3.28Å; L378-D380 PolarHBondContact O-N 3.46Å; D380-M383 PolarHBondContact O-N 2.77Å; D380-Q384 WeakPolarHBondContact O-CB 3.47Å; D380-Q384 PolarHBondContact O-N 3.15Å
381	Y	85.6	Confident	86.5	Confident	55 Å²	55	49.4 Å²	49.4	22%	0.216	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-45.3	175	-75.6	-62.5	0	0	0	111.7	P196 L309 A310 L378 A379 M383 Q384 T385	P196-Y381 HydrophobicContact CG-CD2 4.1Å; P196-Y381 HydrophobicContact CG-CE2 3.85Å; L309-Y381 CarbonylContact O-C 3.52Å; L309-Y381 WeakPolarHBondContact O-CB 3.44Å; L309-Y381 VanDerWaalsContact O-O 3.09Å; A310-Y381 HydrophobicContact CB-CD1 3.31Å; A310-Y381 HydrophobicContact CB-CE1 3.6Å; A310-Y381 HydrophobicContact CB-CG 3.98Å; L378-Y381 HydrophobicContact CD2-CD2 4.12Å; L378-Y381 PolarHBondContact O-N 3Å; A379-Y381 VanDerWaalsContact C-N 3.33Å; A379-Y381 PolarHBondContact O-N 3.05Å; Y381-M383 PolarHBondContact O-N 2.89Å; Y381-Q384 PolarHBondContact O-N 2.54Å; Y381-T385 WeakPolarHBondContact O-CB 3.41Å; Y381-T385 PolarHBondContact O-N 2.95Å; Y381-T385 PolarHBondContact O-OG1 3.27Å; Y381-T385 VanDerWaalsContact O-OG1 3.12Å
382	V	86.1	Confident	86.8	Confident	15 Å²	15	46.1 Å²	46.1	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-45.3	176.7	167.3	0	0	0	0	111.2	L309 P336 L337 W373 L378 A379 T385 Q386	L309-V382 HydrophobicContact CD2-CG2 4.13Å; P336-V382 HydrophobicContact CB-CG1 4.01Å; P336-V382 HydrophobicContact CG-CG1 4.4Å; L337-V382 VanDerWaalsContact O-CG2 3.25Å; L337-V382 WeakPolarHBondContact O-CG2 3.42Å; W373-V382 HydrophobicContact CH2-CG2 3.62Å; W373-V382 HydrophobicContact CZ2-CG2 3.64Å; L378-V382 PolarHBondContact O-N 3.06Å; L378-V382 VanDerWaalsContact O-N 3.13Å; A379-V382 PolarHBondContact O-N 3.01Å; V382-T385 PolarHBondContact O-N 2.8Å; V382-Q386 WeakPolarHBondContact O-CB 3.3Å; V382-Q386 PolarHBondContact O-N 2.96Å
383	M	83.2	Confident	87.1	Confident	88 Å²	88	46 Å²	46	43%	0.433	24%	0.239	S	C	.	.	H	α-helix	trans	-60.7	-48.5	177.6	-176.8	-179.1	65.2	0	0	111.2	A379 D380 Y381 T385 Q386 L387	A379-M383 WeakPolarHBondContact O-CB 3.4Å; A379-M383 PolarHBondContact O-N 3.46Å; D380-M383 PolarHBondContact O-N 2.77Å; Y381-M383 PolarHBondContact O-N 2.89Å; M383-T385 PolarHBondContact O-N 2.67Å; M383-Q386 PolarHBondContact O-N 2.71Å; M383-L387 WeakPolarHBondContact O-CG 3.42Å; M383-L387 PolarHBondContact O-N 2.97Å; M383-L387 VanDerWaalsContact O-N 3.08Å
384	Q	85.1	Confident	87.4	Confident	48 Å²	48	51.5 Å²	51.5	22%	0.224	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-44.8	177.3	179.3	170	31.2	0	0	111.9	D380 Y381 L387 Y388	D380-Q384 WeakPolarHBondContact O-CB 3.47Å; D380-Q384 PolarHBondContact O-N 3.15Å; Y381-Q384 PolarHBondContact O-N 2.54Å; Q384-L387 PolarHBondContact O-N 3.42Å; Q384-Y388 HydrophobicContact CG-CD2 4.33Å; Q384-Y388 HydrophobicContact CG-CE2 3.57Å; Q384-Y388 PolarHBondContact NE2-OH 3.3Å; Q384-Y388 WeakPolarHBondContact O-CD2 3.4Å; Q384-Y388 PolarHBondContact O-N 3.35Å
385	T	88.3	Confident	87.6	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-40.7	178	-69.7	0	0	0	0	111.9	F308 L309 P336 Y381 V382 M383 L387 Y388 I389	F308-T385 HydrophobicContact CD2-CG2 3.77Å; F308-T385 HydrophobicContact CE1-CG2 4.43Å; F308-T385 HydrophobicContact CE2-CG2 3.25Å; F308-T385 HydrophobicContact CZ-CG2 3.64Å; L309-T385 PolarHBondContact O-OG1 2.57Å; P336-T385 HydrophobicContact CB-CG2 3.94Å; Y381-T385 WeakPolarHBondContact O-CB 3.41Å; Y381-T385 PolarHBondContact O-N 2.95Å; Y381-T385 PolarHBondContact O-OG1 3.27Å; Y381-T385 VanDerWaalsContact O-OG1 3.12Å; V382-T385 PolarHBondContact O-N 2.8Å; M383-T385 PolarHBondContact O-N 2.67Å; T385-L387 VanDerWaalsContact C-N 3.31Å; T385-L387 PolarHBondContact O-N 3.08Å; T385-Y388 PolarHBondContact O-N 2.86Å; T385-I389 HydrophobicContact CG2-CD1 3.66Å; T385-I389 HydrophobicContact CG2-CG1 4.42Å; T385-I389 WeakPolarHBondContact O-CG1 3.14Å; T385-I389 PolarHBondContact O-N 3.32Å
386	Q	88.6	Confident	87.9	Confident	9 Å²	9	51.8 Å²	51.8	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-36.8	177.2	-174.1	62.5	76.2	0	0	112.1	P336 V382 M383 I389 N390 L401 S569	P336-Q386 HydrophobicContact CG-CB 4.49Å; V382-Q386 WeakPolarHBondContact O-CB 3.3Å; V382-Q386 PolarHBondContact O-N 2.96Å; M383-Q386 PolarHBondContact O-N 2.71Å; Q386-I389 PolarHBondContact O-N 3.11Å; Q386-N390 PolarHBondContact NE2-OD1 3.29Å; Q386-N390 WeakPolarHBondContact O-CB 3.31Å; Q386-N390 VanDerWaalsContact O-CG 3.29Å; Q386-N390 PolarHBondContact O-N 2.91Å; Q386-N390 PolarHBondContact O-ND2 3.28Å; Q386-L401 VanDerWaalsContact CG-O 3.29Å; Q386-L401 WeakPolarHBondContact CG-O 3.47Å; Q386-L401 PolarHBondContact NE2-O 3.05Å; Q386-S569 PolarHBondContact OE1-OG 3.36Å
387	L	87.4	Confident	88.1	Confident	98 Å²	98	53.2 Å²	53.2	51%	0.513	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-50.6	174.3	-70.4	171.9	0	0	0	111.3	M383 Q384 T385 I389 N390 E391	M383-L387 WeakPolarHBondContact O-CG 3.42Å; M383-L387 PolarHBondContact O-N 2.97Å; M383-L387 VanDerWaalsContact O-N 3.08Å; Q384-L387 PolarHBondContact O-N 3.42Å; T385-L387 VanDerWaalsContact C-N 3.31Å; T385-L387 PolarHBondContact O-N 3.08Å; L387-I389 VanDerWaalsContact C-N 3.3Å; L387-I389 PolarHBondContact O-N 2.63Å; L387-N390 PolarHBondContact O-N 3.14Å; L387-N390 VanDerWaalsContact O-N 3.15Å; L387-E391 PolarHBondContact O-N 3.45Å
388	Y	89.1	Confident	88.3	Confident	26 Å²	26	52.2 Å²	52.2	10%	0.102	28%	0.275	C	S	.	.	H	α-helix	trans	-60.3	-40.8	178.2	-60.8	-36.5	0	0	0	112.8	D317 T320 K321 Q384 T385 C392	D317-Y388 HydrophobicContact CB-CD1 4.15Å; D317-Y388 HydrophobicContact CB-CE1 3.47Å; D317-Y388 VanDerWaalsContact CB-CE1 3.47Å; T320-Y388 HydrophobicContact CG2-CD2 4.09Å; K321-Y388 HydrophobicContact CG-CD1 4.47Å; Q384-Y388 HydrophobicContact CG-CD2 4.33Å; Q384-Y388 HydrophobicContact CG-CE2 3.57Å; Q384-Y388 PolarHBondContact NE2-OH 3.3Å; Q384-Y388 WeakPolarHBondContact O-CD2 3.4Å; Q384-Y388 PolarHBondContact O-N 3.35Å; T385-Y388 PolarHBondContact O-N 2.86Å; Y388-C392 PolarHBondContact O-N 2.95Å; Y388-C392 PolarHBondContact O-SG 2.89Å
389	I	91.8	Very high	88.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-40.2	177.3	-69.9	168.8	0	0	0	110.7	I324 M328 V334 E335 T385 Q386 L387 C392 R393	I324-I389 HydrophobicContact CD1-CG1 4.01Å; M328-I389 HydrophobicContact CE-CG2 3.93Å; V334-I389 HydrophobicContact CG1-CD1 4.14Å; V334-I389 HydrophobicContact CG1-CG1 4.24Å; E335-I389 VanDerWaalsContact C-CD1 3.47Å; T385-I389 HydrophobicContact CG2-CD1 3.66Å; T385-I389 HydrophobicContact CG2-CG1 4.42Å; T385-I389 WeakPolarHBondContact O-CG1 3.14Å; T385-I389 PolarHBondContact O-N 3.32Å; Q386-I389 PolarHBondContact O-N 3.11Å; L387-I389 VanDerWaalsContact C-N 3.3Å; L387-I389 PolarHBondContact O-N 2.63Å; I389-C392 PolarHBondContact O-N 3.47Å; I389-R393 HydrophobicContact CG2-CG 4.31Å; I389-R393 VanDerWaalsContact O-CG 3.23Å; I389-R393 WeakPolarHBondContact O-CG 3.4Å; I389-R393 PolarHBondContact O-N 2.89Å
390	N	90.7	Very high	88.4	Confident	14 Å²	14	58.7 Å²	58.7	8%	0.075	30%	0.298	C	S	.	.	H	α-helix	trans	-67.5	-43	179.2	-77.9	-17.2	0	0	0	112.8	Q386 L387 C392 R393 E394 T400 L401	Q386-N390 PolarHBondContact NE2-OD1 3.29Å; Q386-N390 WeakPolarHBondContact O-CB 3.31Å; Q386-N390 VanDerWaalsContact O-CG 3.29Å; Q386-N390 PolarHBondContact O-N 2.91Å; Q386-N390 PolarHBondContact O-ND2 3.28Å; L387-N390 PolarHBondContact O-N 3.14Å; L387-N390 VanDerWaalsContact O-N 3.15Å; N390-C392 VanDerWaalsContact C-N 3.27Å; N390-C392 PolarHBondContact O-N 3.5Å; N390-R393 WeakPolarHBondContact O-CA 3.41Å; N390-R393 WeakPolarHBondContact O-CB 3.44Å; N390-R393 PolarHBondContact O-N 2.87Å; N390-E394 WeakPolarHBondContact O-CG 3.38Å; N390-E394 PolarHBondContact O-N 3.35Å; N390-T400 HydrophobicContact CB-CG2 4.12Å; N390-L401 PolarHBondContact ND2-O 3.05Å; N390-L401 PolarHBondContact OD1-N 2.98Å; N390-L401 PolarHBondContact OD1-O 2.85Å; N390-L401 VanDerWaalsContact OD1-O 3.05Å
391	E	90.8	Very high	88.4	Confident	80 Å²	80	56.2 Å²	56.2	37%	0.374	29%	0.285	S	S	.	.	H	α-helix	trans	-57.1	-44.1	174.6	-69.8	-173.9	-122.4	0	0	111	K321 L387 R393 E394 E395	K321-E391 VanDerWaalsContact CE-CD 3.41Å; K321-E391 VanDerWaalsContact CE-OE1 3.31Å; K321-E391 WeakPolarHBondContact CE-OE1 3.4Å; K321-E391 WeakPolarHBondContact CE-OE2 3.29Å; K321-E391 IonicContact NZ-OE1 3.42Å; K321-E391 PolarHBondContact NZ-OE1 2.89Å; K321-E391 IonicContact NZ-OE2 3.85Å; K321-E391 PolarHBondContact NZ-OE2 3.38Å; L387-E391 PolarHBondContact O-N 3.45Å; E391-R393 VanDerWaalsContact C-N 3.34Å; E391-R393 PolarHBondContact O-N 3.35Å; E391-E394 PolarHBondContact O-N 3.21Å; E391-E395 PolarHBondContact O-N 2.94Å
392	C	92.9	Very high	88	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-38.7	174.5	-58.6	0	0	0	0	111.5	I324 M325 M328 Y388 I389 N390 E394 E395 F396	I324-C392 HydrophobicContact CB-CB 4.48Å; I324-C392 HydrophobicContact CG2-CB 3.72Å; M325-C392 HydrophobicContact CG-CB 4.28Å; M328-C392 HydrophobicContact SD-CB 4.05Å; Y388-C392 PolarHBondContact O-N 2.95Å; Y388-C392 PolarHBondContact O-SG 2.89Å; I389-C392 PolarHBondContact O-N 3.47Å; N390-C392 VanDerWaalsContact C-N 3.27Å; N390-C392 PolarHBondContact O-N 3.5Å; C392-E394 VanDerWaalsContact C-N 3.34Å; C392-E394 PolarHBondContact O-N 2.88Å; C392-E395 WeakPolarHBondContact O-CB 3.34Å; C392-E395 PolarHBondContact O-N 3.47Å; C392-F396 WeakPolarHBondContact O-CD2 3.4Å; C392-F396 PolarHBondContact O-N 3.38Å
393	R	92.9	Very high	87.2	Confident	39 Å²	39	59.4 Å²	59.4	15%	0.147	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-41.1	177.9	-75.2	169.7	77.2	124.1	3.2	112.2	M328 I389 N390 E391 E395 F396 G397 M398 K399 L401	M328-R393 HydrophobicContact CE-CG 3.95Å; I389-R393 HydrophobicContact CG2-CG 4.31Å; I389-R393 VanDerWaalsContact O-CG 3.23Å; I389-R393 WeakPolarHBondContact O-CG 3.4Å; I389-R393 PolarHBondContact O-N 2.89Å; N390-R393 WeakPolarHBondContact O-CA 3.41Å; N390-R393 WeakPolarHBondContact O-CB 3.44Å; N390-R393 PolarHBondContact O-N 2.87Å; E391-R393 VanDerWaalsContact C-N 3.34Å; E391-R393 PolarHBondContact O-N 3.35Å; R393-E395 VanDerWaalsContact C-N 3.31Å; R393-E395 PolarHBondContact O-N 2.96Å; R393-F396 CarbonylContact O-C 3.35Å; R393-F396 PolarHBondContact O-N 3.46Å; R393-F396 VanDerWaalsContact O-N 3.17Å; R393-G397 PolarHBondContact O-N 3.46Å; R393-G397 VanDerWaalsContact O-N 3.16Å; R393-M398 HydrophobicContact CB-CB 3.94Å; R393-M398 HydrophobicContact CB-CE 4.4Å; R393-M398 HydrophobicContact CG-CB 4.25Å; R393-M398 HydrophobicContact CG-CE 3.92Å; R393-M398 WeakPolarHBondContact O-CB 3.41Å; R393-M398 PolarHBondContact O-N 2.89Å; R393-K399 PolarHBondContact NE-O 3.33Å; R393-K399 PolarHBondContact NH2-O 3.39Å; R393-L401 VanDerWaalsContact NH1-CD1 3.26Å
394	E	91.5	Very high	86.7	Confident	125 Å²	125	57.2 Å²	57.2	58%	0.584	29%	0.294	S	S	*	.	H	α-helix	trans	-59.4	-42.5	175.6	-70.7	174.9	-176.5	0	0	111.3	N390 E391 C392 F396 G397 T400	N390-E394 WeakPolarHBondContact O-CG 3.38Å; N390-E394 PolarHBondContact O-N 3.35Å; E391-E394 PolarHBondContact O-N 3.21Å; C392-E394 VanDerWaalsContact C-N 3.34Å; C392-E394 PolarHBondContact O-N 2.88Å; E394-F396 VanDerWaalsContact C-N 3.26Å; E394-F396 PolarHBondContact O-N 3.5Å; E394-G397 PolarHBondContact O-N 3.3Å; E394-T400 HydrophobicContact CG-CG2 3.36Å; E394-T400 VanDerWaalsContact OE1-CG2 3.3Å; E394-T400 WeakPolarHBondContact OE1-CG2 3.4Å
395	E	90.6	Very high	86.3	Confident	126 Å²	126	55.5 Å²	55.5	59%	0.589	29%	0.29	S	S	*	.	H	α-helix	trans	-61.4	-32.8	176.3	-68.8	175.6	158.9	0	0	112.8	E391 C392 R393 G397	E391-E395 PolarHBondContact O-N 2.94Å; C392-E395 WeakPolarHBondContact O-CB 3.34Å; C392-E395 PolarHBondContact O-N 3.47Å; R393-E395 VanDerWaalsContact C-N 3.31Å; R393-E395 PolarHBondContact O-N 2.96Å; E395-G397 VanDerWaalsContact C-N 3.33Å
396	F	90.5	Very high	85.9	Confident	80 Å²	80	60.3 Å²	60.3	35%	0.351	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	3.1	173	-70.3	-72.9	0	0	0	114.2	M325 M328 E329 C392 R393 E394 M398	M325-F396 HydrophobicContact CB-CE2 4.28Å; M325-F396 HydrophobicContact CB-CZ 4.37Å; M325-F396 HydrophobicContact CG-CE2 4.12Å; M328-F396 HydrophobicContact CB-CD2 4.21Å; M328-F396 HydrophobicContact CB-CE2 3.87Å; M328-F396 HydrophobicContact CB-CZ 4.34Å; M328-F396 HydrophobicContact SD-CD2 4.07Å; M328-F396 HydrophobicContact SD-CE2 4.25Å; E329-F396 HydrophobicContact CG-CE1 3.64Å; E329-F396 HydrophobicContact CG-CZ 3.48Å; E329-F396 VanDerWaalsContact CG-CZ 3.48Å; C392-F396 WeakPolarHBondContact O-CD2 3.4Å; C392-F396 PolarHBondContact O-N 3.38Å; R393-F396 CarbonylContact O-C 3.35Å; R393-F396 PolarHBondContact O-N 3.46Å; R393-F396 VanDerWaalsContact O-N 3.17Å; E394-F396 VanDerWaalsContact C-N 3.26Å; E394-F396 PolarHBondContact O-N 3.5Å; F396-M398 HydrophobicContact CB-CE 3.62Å; F396-M398 HydrophobicContact CB-CG 4.01Å; F396-M398 HydrophobicContact CD2-CE 3.94Å; F396-M398 HydrophobicContact CG-CE 4Å; F396-M398 PolarHBondContact O-N 2.92Å
397	G	88.3	Confident	85.7	Confident	73 Å²	73	60.4 Å²	60.4	75%	0.753	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	20.4	-174.2	0	0	0	0	0	113.7	R393 E394 E395	R393-G397 PolarHBondContact O-N 3.46Å; R393-G397 VanDerWaalsContact O-N 3.16Å; E394-G397 PolarHBondContact O-N 3.3Å; E395-G397 VanDerWaalsContact C-N 3.33Å
398	M	87.4	Confident	85.5	Confident	77 Å²	77	56 Å²	56	38%	0.379	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-82.6	148.1	174.9	-66.3	-169.5	-82.1	0	0	110.3	M328 R393 F396 T400	M328-M398 HydrophobicContact CE-CE 4.36Å; M328-M398 HydrophobicContact CG-CE 4.49Å; M328-M398 HydrophobicContact SD-CE 3.66Å; R393-M398 HydrophobicContact CB-CB 3.94Å; R393-M398 HydrophobicContact CB-CE 4.4Å; R393-M398 HydrophobicContact CG-CB 4.25Å; R393-M398 HydrophobicContact CG-CE 3.92Å; R393-M398 WeakPolarHBondContact O-CB 3.41Å; R393-M398 PolarHBondContact O-N 2.89Å; F396-M398 HydrophobicContact CB-CE 3.62Å; F396-M398 HydrophobicContact CB-CG 4.01Å; F396-M398 HydrophobicContact CD2-CE 3.94Å; F396-M398 HydrophobicContact CG-CE 4Å; F396-M398 PolarHBondContact O-N 2.92Å; M398-T400 PolarHBondContact O-N 3.5Å
399	K	86	Confident	85.3	Confident	140 Å²	140	57.6 Å²	57.6	61%	0.609	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-55.7	133.1	172.6	-68.2	-177.3	168.2	-166.4	0	110.5	R393 D571	R393-K399 PolarHBondContact NE-O 3.33Å; R393-K399 PolarHBondContact NH2-O 3.39Å; K399-D571 IonicContact NZ-OD2 3.26Å; K399-D571 PolarHBondContact NZ-OD2 2.93Å
400	T	86	Confident	85.1	Confident	45 Å²	45	61.8 Å²	61.8	28%	0.276	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-72.1	144.5	169.6	51.5	0	0	0	0	110.5	N390 E394 M398	N390-T400 HydrophobicContact CB-CG2 4.12Å; E394-T400 HydrophobicContact CG-CG2 3.36Å; E394-T400 VanDerWaalsContact OE1-CG2 3.3Å; E394-T400 WeakPolarHBondContact OE1-CG2 3.4Å; M398-T400 PolarHBondContact O-N 3.5Å
401	L	83.8	Confident	85.1	Confident	41 Å²	41	62.4 Å²	62.4	22%	0.215	34%	0.335	C	S	.	.			trans	-118.5	109.6	173.8	-60.1	179.4	0	0	0	107.1	Q386 N390 R393 D571	Q386-L401 VanDerWaalsContact CG-O 3.29Å; Q386-L401 WeakPolarHBondContact CG-O 3.47Å; Q386-L401 PolarHBondContact NE2-O 3.05Å; N390-L401 PolarHBondContact ND2-O 3.05Å; N390-L401 PolarHBondContact OD1-N 2.98Å; N390-L401 PolarHBondContact OD1-O 2.85Å; N390-L401 VanDerWaalsContact OD1-O 3.05Å; R393-L401 VanDerWaalsContact NH1-CD1 3.26Å; L401-D571 HydrophobicContact CD2-CB 3.8Å
402	A	76.2	Confident	85	Confident	45 Å²	45	62.9 Å²	62.9	37%	0.372	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-102.6	145.4	-176.9	0	0	0	0	0	110.6	D404 I570	A402-D404 PolarHBondContact O-N 3.13Å; A402-I570 PolarHBondContact N-O 3.23Å; A402-I570 PolarHBondContact O-N 2.83Å; A402-I570 VanDerWaalsContact O-O 3.13Å
403	W	70.9	Confident	84.8	Confident	92 Å²	92	66.8 Å²	66.8	35%	0.348	35%	0.354	S	S	.	.			trans	-82.9	95.5	158	-171.8	79.4	0	0	0	107.5	G405 H408	W403-G405 VanDerWaalsContact C-N 3.34Å; W403-G405 VanDerWaalsContact CH2-CA 3.41Å; W403-G405 PolarHBondContact O-N 3.33Å; W403-H408 AromaticContact CD1-CD2 3.79Å; W403-H408 AromaticContact CD1-CE1 3.63Å; W403-H408 AromaticContact CD1-CG 3.79Å; W403-H408 AromaticContact CD1-ND1 3.69Å; W403-H408 AromaticContact CD1-NE2 3.72Å; W403-H408 AromaticContact CE2-CG 3.81Å; W403-H408 HydrophobicContact CZ2-CB 3.78Å; W403-H408 AromaticContact NE1-CD2 3.46Å; W403-H408 PolarHBondContact NE1-CD2 3.08Å; W403-H408 AromaticContact NE1-CE1 3.99Å; W403-H408 AromaticContact NE1-CG 3.34Å; W403-H408 VanDerWaalsContact NE1-CG 3.34Å; W403-H408 AromaticContact NE1-ND1 3.7Å; W403-H408 AromaticContact NE1-NE2 3.89Å
404	D	73	Confident	84.7	Confident	42 Å²	42	66.5 Å²	66.5	23%	0.225	36%	0.358	C	S	.	.			trans	-71.9	91.3	173.5	-178.4	-22	0	0	0	108.3	A402 P406 L407 H408 R579	A402-D404 PolarHBondContact O-N 3.13Å; D404-P406 VanDerWaalsContact OD1-CD 3.28Å; D404-P406 WeakPolarHBondContact OD1-CD 3.34Å; D404-L407 HydrophobicContact CB-CB 3.76Å; D404-L407 HydrophobicContact CB-CD2 4.38Å; D404-L407 PolarHBondContact O-N 3.41Å; D404-L407 VanDerWaalsContact O-N 3.15Å; D404-L407 WeakPolarHBondContact OD1-CB 3.45Å; D404-L407 PolarHBondContact OD1-N 2.73Å; D404-L407 WeakPolarHBondContact OD2-CB 3.5Å; D404-H408 PolarHBondContact N-ND1 3.27Å; D404-H408 WeakPolarHBondContact O-CB 3.27Å; D404-H408 PolarHBondContact O-N 3.3Å; D404-H408 PolarHBondContact O-ND1 3.44Å; D404-R579 IonicContact OD2-NH1 2.82Å; D404-R579 PolarHBondContact OD2-NH1 3.43Å
405	G	75	Confident	84.7	Confident	12 Å²	12	62 Å²	62	12%	0.124	34%	0.338	C	S	.	.	H	α-helix	trans	-55.9	-45.7	-175	0	0	0	0	0	114.7	W403 S409	W403-G405 VanDerWaalsContact C-N 3.34Å; W403-G405 VanDerWaalsContact CH2-CA 3.41Å; W403-G405 PolarHBondContact O-N 3.33Å; G405-S409 VanDerWaalsContact O-CB 3.26Å; G405-S409 WeakPolarHBondContact O-CB 3.44Å; G405-S409 PolarHBondContact O-N 3.28Å; G405-S409 PolarHBondContact O-OG 3.45Å
406	P	80.2	Confident	84.6	Confident	103 Å²	103	59.3 Å²	59.3	67%	0.669	33%	0.326	S	S	*	.	H	α-helix	trans	-56.1	-49.2	170.7	-27.9	35.4	0	0	0	113.2	D404 S409 F410	D404-P406 VanDerWaalsContact OD1-CD 3.28Å; D404-P406 WeakPolarHBondContact OD1-CD 3.34Å; P406-S409 PolarHBondContact O-N 3.07Å; P406-F410 VanDerWaalsContact O-CB 3.25Å; P406-F410 WeakPolarHBondContact O-CB 3.3Å; P406-F410 PolarHBondContact O-N 3.37Å
407	L	84	Confident	84.6	Confident	10 Å²	10	60 Å²	60	5%	0.052	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-45.8	179.3	-179.2	61.6	0	0	0	111.8	D404 S409 F410 L411 I570 A575 I578 R579	D404-L407 HydrophobicContact CB-CB 3.76Å; D404-L407 HydrophobicContact CB-CD2 4.38Å; D404-L407 PolarHBondContact O-N 3.41Å; D404-L407 VanDerWaalsContact O-N 3.15Å; D404-L407 WeakPolarHBondContact OD1-CB 3.45Å; D404-L407 PolarHBondContact OD1-N 2.73Å; D404-L407 WeakPolarHBondContact OD2-CB 3.5Å; L407-S409 PolarHBondContact O-N 2.84Å; L407-F410 PolarHBondContact O-N 2.94Å; L407-L411 HydrophobicContact CD1-CD1 4.23Å; L407-L411 HydrophobicContact CD1-CG 4.18Å; L407-L411 HydrophobicContact CG-CD1 3.97Å; L407-L411 HydrophobicContact CG-CG 4.36Å; L407-L411 WeakPolarHBondContact O-CB 3.31Å; L407-L411 WeakPolarHBondContact O-CG 3.49Å; L407-L411 PolarHBondContact O-N 3.42Å; L407-I570 HydrophobicContact CD2-CD1 4.3Å; L407-A575 HydrophobicContact CD2-CB 4.01Å; L407-I578 HydrophobicContact CD1-CG2 4.02Å; L407-I578 HydrophobicContact CD2-CG2 4.35Å; L407-R579 HydrophobicContact CD1-CG 4.11Å
408	H	83.5	Confident	84.6	Confident	7 Å²	7	59.4 Å²	59.4	3%	0.032	32%	0.318	C	S	.	.	H	α-helix	trans	-62.5	-42.4	178.3	-76.9	84.4	0	0	0	112.1	W403 D404 L411 R412 L565 R568 I570	W403-H408 AromaticContact CD1-CD2 3.79Å; W403-H408 AromaticContact CD1-CE1 3.63Å; W403-H408 AromaticContact CD1-CG 3.79Å; W403-H408 AromaticContact CD1-ND1 3.69Å; W403-H408 AromaticContact CD1-NE2 3.72Å; W403-H408 AromaticContact CE2-CG 3.81Å; W403-H408 HydrophobicContact CZ2-CB 3.78Å; W403-H408 AromaticContact NE1-CD2 3.46Å; W403-H408 PolarHBondContact NE1-CD2 3.08Å; W403-H408 AromaticContact NE1-CE1 3.99Å; W403-H408 AromaticContact NE1-CG 3.34Å; W403-H408 VanDerWaalsContact NE1-CG 3.34Å; W403-H408 AromaticContact NE1-ND1 3.7Å; W403-H408 AromaticContact NE1-NE2 3.89Å; D404-H408 PolarHBondContact N-ND1 3.27Å; D404-H408 WeakPolarHBondContact O-CB 3.27Å; D404-H408 PolarHBondContact O-N 3.3Å; D404-H408 PolarHBondContact O-ND1 3.44Å; H408-L411 PolarHBondContact O-N 3.4Å; H408-R412 WeakPolarHBondContact O-CB 3.34Å; H408-R412 PolarHBondContact O-N 3.25Å; H408-L565 PolarHBondContact CD2-O 3.35Å; H408-L565 VanDerWaalsContact CD2-O 3.28Å; H408-R568 PolarHBondContact CE1-O 3.26Å; H408-R568 PolarHBondContact NE2-O 3.37Å; H408-I570 VanDerWaalsContact CE1-CD1 3.46Å; H408-I570 WeakPolarHBondContact CE1-CD1 3.42Å
409	S	84.6	Confident	84.7	Confident	58 Å²	58	57 Å²	57	41%	0.406	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-45.2	176.2	-59	0	0	0	0	110.7	G405 P406 L407 L411 R412 D413	G405-S409 VanDerWaalsContact O-CB 3.26Å; G405-S409 WeakPolarHBondContact O-CB 3.44Å; G405-S409 PolarHBondContact O-N 3.28Å; G405-S409 PolarHBondContact O-OG 3.45Å; P406-S409 PolarHBondContact O-N 3.07Å; L407-S409 PolarHBondContact O-N 2.84Å; S409-L411 PolarHBondContact O-N 3.28Å; S409-R412 WeakPolarHBondContact O-CB 3.46Å; S409-R412 PolarHBondContact O-N 3.43Å; S409-D413 PolarHBondContact O-N 3.22Å
410	F	87.7	Confident	84.8	Confident	88 Å²	88	58.4 Å²	58.4	39%	0.386	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-44.1	176.5	179.5	-114.8	0	0	0	112.6	P406 L407 D413 C414 V582 I586	P406-F410 VanDerWaalsContact O-CB 3.25Å; P406-F410 WeakPolarHBondContact O-CB 3.3Å; P406-F410 PolarHBondContact O-N 3.37Å; L407-F410 PolarHBondContact O-N 2.94Å; F410-D413 PolarHBondContact O-N 3.41Å; F410-C414 WeakPolarHBondContact O-CB 3.49Å; F410-C414 PolarHBondContact O-N 3.5Å; F410-C414 PolarHBondContact O-SG 2.9Å; F410-V582 HydrophobicContact CD1-CG1 4.41Å; F410-V582 HydrophobicContact CE1-CB 4.38Å; F410-V582 HydrophobicContact CE1-CG1 3.4Å; F410-V582 VanDerWaalsContact CE1-CG1 3.4Å; F410-V582 HydrophobicContact CZ-CG1 3.96Å; F410-I586 HydrophobicContact CE1-CD1 4.48Å; F410-I586 HydrophobicContact CZ-CD1 3.72Å
411	L	90.4	Very high	84.9	Confident	27 Å²	27	58 Å²	58	14%	0.141	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-41.5	175.8	-71.4	172.6	0	0	0	111.7	L407 H408 S409 D413 C414 I415 L565 I578 V582	L407-L411 HydrophobicContact CD1-CD1 4.23Å; L407-L411 HydrophobicContact CD1-CG 4.18Å; L407-L411 HydrophobicContact CG-CD1 3.97Å; L407-L411 HydrophobicContact CG-CG 4.36Å; L407-L411 WeakPolarHBondContact O-CB 3.31Å; L407-L411 WeakPolarHBondContact O-CG 3.49Å; L407-L411 PolarHBondContact O-N 3.42Å; H408-L411 PolarHBondContact O-N 3.4Å; S409-L411 PolarHBondContact O-N 3.28Å; L411-D413 VanDerWaalsContact C-N 3.34Å; L411-D413 PolarHBondContact O-N 3.18Å; L411-C414 WeakPolarHBondContact O-CB 3.24Å; L411-C414 PolarHBondContact O-N 3.49Å; L411-I415 WeakPolarHBondContact O-CD1 3.46Å; L411-I415 VanDerWaalsContact O-CG1 3.26Å; L411-I415 WeakPolarHBondContact O-CG1 3.23Å; L411-I415 PolarHBondContact O-N 2.92Å; L411-L565 HydrophobicContact CB-CD1 4.14Å; L411-L565 HydrophobicContact CB-CD2 3.63Å; L411-L565 HydrophobicContact CD1-CD1 3.73Å; L411-I578 HydrophobicContact CD1-CG2 4.08Å; L411-I578 HydrophobicContact CD2-CG2 3.94Å; L411-I578 HydrophobicContact CG-CG2 4.48Å; L411-V582 HydrophobicContact CD2-CG2 3.9Å
412	R	88.9	Confident	85	Confident	90 Å²	90	59.9 Å²	59.9	34%	0.34	33%	0.326	S	S	.	.	H	α-helix	trans	-57.1	-49.1	173	171.8	-176.8	-172.5	-171.4	11.6	110.6	E374 H408 S409 C414 I415 I416 L562 L565	E374-R412 IonicContact OE1-CZ 3.3Å; E374-R412 IonicContact OE1-NH1 2.64Å; E374-R412 IonicContact OE1-NH2 3.21Å; E374-R412 PolarHBondContact OE1-NH2 2.91Å; E374-R412 IonicContact OE2-NH2 3.43Å; E374-R412 PolarHBondContact OE2-NH2 2.96Å; H408-R412 WeakPolarHBondContact O-CB 3.34Å; H408-R412 PolarHBondContact O-N 3.25Å; S409-R412 WeakPolarHBondContact O-CB 3.46Å; S409-R412 PolarHBondContact O-N 3.43Å; R412-C414 VanDerWaalsContact C-N 3.34Å; R412-C414 PolarHBondContact O-N 3.48Å; R412-I415 PolarHBondContact O-N 2.93Å; R412-I416 HydrophobicContact CG-CD1 3.82Å; R412-I416 WeakPolarHBondContact O-CG1 3.41Å; R412-I416 PolarHBondContact O-N 3.45Å; R412-L562 HydrophobicContact CB-CD2 4.32Å; R412-L562 HydrophobicContact CG-CD2 3.95Å; R412-L565 HydrophobicContact CB-CD2 4.29Å
413	D	90.2	Very high	85.6	Confident	82 Å²	82	62.5 Å²	62.5	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-40.2	178.8	-71.9	-16.2	0	0	0	111.4	S409 F410 L411 I415 I416 N417	S409-D413 PolarHBondContact O-N 3.22Å; F410-D413 PolarHBondContact O-N 3.41Å; L411-D413 VanDerWaalsContact C-N 3.34Å; L411-D413 PolarHBondContact O-N 3.18Å; D413-I415 PolarHBondContact O-N 3.23Å; D413-I416 PolarHBondContact O-N 3.48Å; D413-N417 WeakPolarHBondContact O-CB 3.44Å; D413-N417 VanDerWaalsContact O-CG 3.26Å; D413-N417 PolarHBondContact O-N 3.38Å; D413-N417 PolarHBondContact O-ND2 3.25Å; D413-N417 VanDerWaalsContact O-ND2 3.12Å
414	C	90.4	Very high	86.4	Confident	34 Å²	34	61.6 Å²	61.6	23%	0.23	33%	0.331	C	S	.	.	H	α-helix	trans	-58.5	-46.3	173.9	-72.5	0	0	0	0	111.3	F410 L411 R412 S418	F410-C414 WeakPolarHBondContact O-CB 3.49Å; F410-C414 PolarHBondContact O-N 3.5Å; F410-C414 PolarHBondContact O-SG 2.9Å; L411-C414 WeakPolarHBondContact O-CB 3.24Å; L411-C414 PolarHBondContact O-N 3.49Å; R412-C414 VanDerWaalsContact C-N 3.34Å; R412-C414 PolarHBondContact O-N 3.48Å; C414-S418 WeakPolarHBondContact O-CB 3.37Å; C414-S418 PolarHBondContact O-N 3.33Å; C414-S418 PolarHBondContact O-OG 2.98Å
415	I	90.5	Very high	87.2	Confident	30 Å²	30	66 Å²	66	15%	0.154	35%	0.346	C	S	.	.	H	α-helix	trans	-61.7	-49	178.6	-68.8	161.5	0	0	0	110.8	L411 R412 D413 T419 I558 L561 L562 L565	L411-I415 WeakPolarHBondContact O-CD1 3.46Å; L411-I415 VanDerWaalsContact O-CG1 3.26Å; L411-I415 WeakPolarHBondContact O-CG1 3.23Å; L411-I415 PolarHBondContact O-N 2.92Å; R412-I415 PolarHBondContact O-N 2.93Å; D413-I415 PolarHBondContact O-N 3.23Å; I415-T419 VanDerWaalsContact O-CB 3.26Å; I415-T419 WeakPolarHBondContact O-CB 3.37Å; I415-T419 PolarHBondContact O-N 2.93Å; I415-T419 PolarHBondContact O-OG1 3.42Å; I415-I558 HydrophobicContact CG2-CG2 3.93Å; I415-L561 HydrophobicContact CD1-CD2 3.7Å; I415-L561 HydrophobicContact CD1-CG 3.85Å; I415-L561 HydrophobicContact CG1-CD2 3.83Å; I415-L561 HydrophobicContact CG2-CD2 4.19Å; I415-L562 HydrophobicContact CB-CD2 4.15Å; I415-L562 HydrophobicContact CD1-CD2 4.01Å; I415-L562 HydrophobicContact CG2-CD2 3.95Å; I415-L562 HydrophobicContact CG2-CG 4.2Å; I415-L565 HydrophobicContact CD1-CD2 3.89Å
416	I	89.4	Confident	87.7	Confident	69 Å²	69	68.5 Å²	68.5	35%	0.354	36%	0.356	S	S	.	.	H	α-helix	trans	-65.7	-49.1	-177.4	-67.4	169.4	0	0	0	110.8	R412 D413 T419 R420 L562	R412-I416 HydrophobicContact CG-CD1 3.82Å; R412-I416 WeakPolarHBondContact O-CG1 3.41Å; R412-I416 PolarHBondContact O-N 3.45Å; D413-I416 PolarHBondContact O-N 3.48Å; I416-T419 PolarHBondContact O-N 3.35Å; I416-R420 WeakPolarHBondContact O-CB 3.46Å; I416-R420 PolarHBondContact O-N 2.97Å; I416-L562 HydrophobicContact CG1-CD1 4.4Å
417	N	90.5	Very high	88.2	Confident	94 Å²	94	69.4 Å²	69.4	50%	0.503	35%	0.352	S	S	.	.	H	α-helix	trans	-68.9	-42.2	-177.4	-70.9	-35.5	0	0	0	111.8	D413 T419 R420 A421	D413-N417 WeakPolarHBondContact O-CB 3.44Å; D413-N417 VanDerWaalsContact O-CG 3.26Å; D413-N417 PolarHBondContact O-N 3.38Å; D413-N417 PolarHBondContact O-ND2 3.25Å; D413-N417 VanDerWaalsContact O-ND2 3.12Å; N417-T419 VanDerWaalsContact C-N 3.34Å; N417-T419 PolarHBondContact O-N 3.14Å; N417-R420 PolarHBondContact O-N 3.19Å; N417-A421 WeakPolarHBondContact O-CB 3.39Å; N417-A421 PolarHBondContact O-N 3.3Å
418	S	88.8	Confident	88.6	Confident	62 Å²	62	73.9 Å²	73.9	43%	0.434	37%	0.373	S	S	.	.	H	α-helix	trans	-63.2	-42.4	177.3	-59.5	0	0	0	0	111.2	C414 R420 A421 C422	C414-S418 WeakPolarHBondContact O-CB 3.37Å; C414-S418 PolarHBondContact O-N 3.33Å; C414-S418 PolarHBondContact O-OG 2.98Å; S418-R420 PolarHBondContact O-N 3.43Å; S418-A421 PolarHBondContact O-N 3Å; S418-C422 WeakPolarHBondContact O-CB 3.45Å; S418-C422 PolarHBondContact O-N 3.42Å; S418-C422 PolarHBondContact O-SG 2.81Å
419	T	87.8	Confident	88.9	Confident	27 Å²	27	79.9 Å²	79.9	17%	0.166	40%	0.4	C	S	.	.	H	α-helix	trans	-58.3	-48.4	173.6	-65.3	0	0	0	0	111.6	I415 I416 N417 C422 K423 I558	I415-T419 VanDerWaalsContact O-CB 3.26Å; I415-T419 WeakPolarHBondContact O-CB 3.37Å; I415-T419 PolarHBondContact O-N 2.93Å; I415-T419 PolarHBondContact O-OG1 3.42Å; I416-T419 PolarHBondContact O-N 3.35Å; N417-T419 VanDerWaalsContact C-N 3.34Å; N417-T419 PolarHBondContact O-N 3.14Å; T419-C422 PolarHBondContact O-N 3Å; T419-K423 HydrophobicContact CG2-CD 4.35Å; T419-K423 WeakPolarHBondContact O-CG 3.13Å; T419-K423 PolarHBondContact O-N 2.74Å; T419-I558 HydrophobicContact CG2-CD1 3.32Å; T419-I558 HydrophobicContact CG2-CG1 4.3Å
420	R	88.6	Confident	89.3	Confident	168 Å²	168	83 Å²	83	63%	0.634	41%	0.407	S	S	*	.	H	α-helix	trans	-63.5	-43.6	-179.8	-175.4	179.4	-179.5	-177.1	-0.4	111.4	I416 N417 S418 K423 N424	I416-R420 WeakPolarHBondContact O-CB 3.46Å; I416-R420 PolarHBondContact O-N 2.97Å; N417-R420 PolarHBondContact O-N 3.19Å; S418-R420 PolarHBondContact O-N 3.43Å; R420-K423 PolarHBondContact O-N 3.32Å; R420-N424 VanDerWaalsContact O-CG 3.31Å; R420-N424 PolarHBondContact O-N 3.02Å
421	A	87.7	Confident	89.6	Confident	37 Å²	37	83.5 Å²	83.5	31%	0.306	41%	0.414	S	S	.	.	H	α-helix	trans	-60.3	-48.3	176.4	0	0	0	0	0	110.9	N417 S418 K423 N424 Y425	N417-A421 WeakPolarHBondContact O-CB 3.39Å; N417-A421 PolarHBondContact O-N 3.3Å; S418-A421 PolarHBondContact O-N 3Å; A421-K423 VanDerWaalsContact C-N 3.34Å; A421-K423 PolarHBondContact O-N 3.11Å; A421-N424 PolarHBondContact O-N 3.38Å; A421-N424 VanDerWaalsContact O-N 3.11Å; A421-Y425 HydrophobicContact CB-CD2 4.33Å; A421-Y425 HydrophobicContact CB-CE2 4.15Å; A421-Y425 WeakPolarHBondContact O-CD2 3.34Å; A421-Y425 PolarHBondContact O-N 3.49Å
422	C	87	Confident	89.8	Confident	80 Å²	80	87 Å²	87	54%	0.541	43%	0.432	S	S	.	.	H	α-helix	trans	-57.1	-45.3	177.2	-69.5	0	0	0	0	112	S418 T419 N424 Y425 D426	S418-C422 WeakPolarHBondContact O-CB 3.45Å; S418-C422 PolarHBondContact O-N 3.42Å; S418-C422 PolarHBondContact O-SG 2.81Å; T419-C422 PolarHBondContact O-N 3Å; C422-N424 VanDerWaalsContact C-N 3.35Å; C422-N424 PolarHBondContact O-N 3.26Å; C422-Y425 PolarHBondContact O-N 3.42Å; C422-D426 WeakPolarHBondContact O-CB 3.47Å; C422-D426 PolarHBondContact O-N 3.43Å
423	K	87.4	Confident	90	Very high	101 Å²	101	86.8 Å²	86.8	44%	0.439	44%	0.437	S	S	.	.	H	α-helix	trans	-59.2	-43.6	175.3	-73.2	176.6	-179.9	175.9	0	112	T419 R420 A421 D426 Q427	T419-K423 HydrophobicContact CG2-CD 4.35Å; T419-K423 WeakPolarHBondContact O-CG 3.13Å; T419-K423 PolarHBondContact O-N 2.74Å; R420-K423 PolarHBondContact O-N 3.32Å; A421-K423 VanDerWaalsContact C-N 3.34Å; A421-K423 PolarHBondContact O-N 3.11Å; K423-D426 PolarHBondContact O-N 3.26Å; K423-Q427 WeakPolarHBondContact O-CG 3.46Å; K423-Q427 PolarHBondContact O-N 3.47Å; K423-Q427 VanDerWaalsContact O-N 3.12Å
424	N	89.6	Confident	90.2	Very high	72 Å²	72	88 Å²	88	39%	0.385	44%	0.439	S	S	.	.	H	α-helix	trans	-66.4	-43.4	178.4	-69.6	-14	0	0	0	112.2	R420 A421 C422 D426 Q427 M428	R420-N424 VanDerWaalsContact O-CG 3.31Å; R420-N424 PolarHBondContact O-N 3.02Å; A421-N424 PolarHBondContact O-N 3.38Å; A421-N424 VanDerWaalsContact O-N 3.11Å; C422-N424 VanDerWaalsContact C-N 3.35Å; C422-N424 PolarHBondContact O-N 3.26Å; N424-D426 VanDerWaalsContact C-N 3.34Å; N424-D426 PolarHBondContact O-N 3.47Å; N424-Q427 PolarHBondContact O-N 2.98Å; N424-M428 WeakPolarHBondContact O-CG 3.49Å; N424-M428 PolarHBondContact O-N 3.08Å
425	Y	88	Confident	90.4	Very high	134 Å²	134	93.1 Å²	93.1	53%	0.525	46%	0.457	S	S	.	.	H	α-helix	trans	-63.7	-39.5	177.2	-75.3	-62.8	0	0	0	112.1	A421 C422 Q427 M428 K429	A421-Y425 HydrophobicContact CB-CD2 4.33Å; A421-Y425 HydrophobicContact CB-CE2 4.15Å; A421-Y425 WeakPolarHBondContact O-CD2 3.34Å; A421-Y425 PolarHBondContact O-N 3.49Å; C422-Y425 PolarHBondContact O-N 3.42Å; Y425-Q427 VanDerWaalsContact C-N 3.35Å; Y425-Q427 PolarHBondContact O-N 2.89Å; Y425-M428 HydrophobicContact CD1-CE 3.3Å; Y425-M428 HydrophobicContact CE1-CE 3.63Å; Y425-M428 HydrophobicContact CG-CE 4.09Å; Y425-M428 PolarHBondContact O-N 3.27Å; Y425-K429 VanDerWaalsContact O-CB 3.32Å; Y425-K429 WeakPolarHBondContact O-CB 3.47Å; Y425-K429 PolarHBondContact O-N 2.85Å
426	D	87.2	Confident	90.5	Very high	65 Å²	65	96 Å²	96	35%	0.348	47%	0.472	S	S	.	.	H	α-helix	trans	-61.3	-42.6	174.1	-92.4	-6	0	0	0	112.1	C422 K423 N424 K429 H430 K552	C422-D426 WeakPolarHBondContact O-CB 3.47Å; C422-D426 PolarHBondContact O-N 3.43Å; K423-D426 PolarHBondContact O-N 3.26Å; N424-D426 VanDerWaalsContact C-N 3.34Å; N424-D426 PolarHBondContact O-N 3.47Å; D426-K429 PolarHBondContact O-N 3.21Å; D426-H430 WeakPolarHBondContact O-CB 3.45Å; D426-H430 PolarHBondContact O-N 3.03Å; D426-K552 WeakPolarHBondContact OD2-CE 3.21Å; D426-K552 IonicContact OD2-NZ 3.17Å; D426-K552 PolarHBondContact OD2-NZ 3.34Å
427	Q	90.7	Very high	90.6	Very high	122 Å²	122	94.8 Å²	94.8	57%	0.57	47%	0.473	S	S	*	.	H	α-helix	trans	-63.5	-45.1	175.6	-71.4	174.8	7.4	0	0	111.6	K423 N424 Y425 H430 L431	K423-Q427 WeakPolarHBondContact O-CG 3.46Å; K423-Q427 PolarHBondContact O-N 3.47Å; K423-Q427 VanDerWaalsContact O-N 3.12Å; N424-Q427 PolarHBondContact O-N 2.98Å; Y425-Q427 VanDerWaalsContact C-N 3.35Å; Y425-Q427 PolarHBondContact O-N 2.89Å; Q427-H430 PolarHBondContact O-N 2.96Å; Q427-L431 WeakPolarHBondContact O-CG 3.29Å; Q427-L431 PolarHBondContact O-N 3.23Å
428	M	90.7	Very high	90.7	Very high	104 Å²	104	95.9 Å²	95.9	51%	0.512	47%	0.473	S	S	.	.	H	α-helix	trans	-62.3	-44.2	176.6	-71.8	-170.8	-67.9	0	0	111.9	N424 Y425 H430 L431 L432	N424-M428 WeakPolarHBondContact O-CG 3.49Å; N424-M428 PolarHBondContact O-N 3.08Å; Y425-M428 HydrophobicContact CD1-CE 3.3Å; Y425-M428 HydrophobicContact CE1-CE 3.63Å; Y425-M428 HydrophobicContact CG-CE 4.09Å; Y425-M428 PolarHBondContact O-N 3.27Å; M428-H430 VanDerWaalsContact C-N 3.34Å; M428-H430 PolarHBondContact O-N 2.92Å; M428-L431 PolarHBondContact O-N 3.42Å; M428-L432 WeakPolarHBondContact O-CB 3.32Å; M428-L432 PolarHBondContact O-N 3.23Å
429	K	91.8	Very high	90.7	Very high	134 Å²	134	98.8 Å²	98.8	58%	0.583	48%	0.48	S	S	*	.	H	α-helix	trans	-59.1	-44.5	175.1	-177.6	176.9	-180	177	0	111.4	Y425 D426 L432 N433	Y425-K429 VanDerWaalsContact O-CB 3.32Å; Y425-K429 WeakPolarHBondContact O-CB 3.47Å; Y425-K429 PolarHBondContact O-N 2.85Å; D426-K429 PolarHBondContact O-N 3.21Å; K429-L432 PolarHBondContact O-N 3.45Å; K429-N433 WeakPolarHBondContact O-CB 3.49Å; K429-N433 VanDerWaalsContact O-CG 3.3Å; K429-N433 PolarHBondContact O-N 3.46Å; K429-N433 PolarHBondContact O-ND2 2.96Å
430	H	92.5	Very high	90.6	Very high	123 Å²	123	99.8 Å²	99.8	57%	0.569	49%	0.491	S	S	*	.	H	α-helix	trans	-63.3	-43.5	176.9	-174.2	66.9	0	0	0	112.2	D426 Q427 M428 N433 K434	D426-H430 WeakPolarHBondContact O-CB 3.45Å; D426-H430 PolarHBondContact O-N 3.03Å; Q427-H430 PolarHBondContact O-N 2.96Å; M428-H430 VanDerWaalsContact C-N 3.34Å; M428-H430 PolarHBondContact O-N 2.92Å; H430-N433 PolarHBondContact O-N 3.27Å; H430-K434 VanDerWaalsContact O-CB 3.3Å; H430-K434 WeakPolarHBondContact O-CB 3.24Å; H430-K434 PolarHBondContact O-N 2.91Å
431	L	94.2	Very high	90.5	Very high	98 Å²	98	99.2 Å²	99.2	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-64.2	-41.7	177.1	-72.2	174.1	0	0	0	112.4	Q427 M428 K434 K435	Q427-L431 WeakPolarHBondContact O-CG 3.29Å; Q427-L431 PolarHBondContact O-N 3.23Å; M428-L431 PolarHBondContact O-N 3.42Å; L431-K434 PolarHBondContact O-N 2.91Å; L431-K435 WeakPolarHBondContact O-CG 3.48Å; L431-K435 PolarHBondContact O-N 2.86Å
432	L	93.5	Very high	90.2	Very high	100 Å²	100	104.5 Å²	104.5	52%	0.524	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-51.6	175.3	179.6	61.9	0	0	0	110.8	M428 K429 K434 K435 L436	M428-L432 WeakPolarHBondContact O-CB 3.32Å; M428-L432 PolarHBondContact O-N 3.23Å; K429-L432 PolarHBondContact O-N 3.45Å; L432-K434 VanDerWaalsContact C-N 3.27Å; L432-K434 PolarHBondContact O-N 2.81Å; L432-K435 PolarHBondContact O-N 3.11Å; L432-L436 HydrophobicContact CD1-CD1 4.21Å; L432-L436 HydrophobicContact CD1-CG 4.27Å; L432-L436 HydrophobicContact CG-CD1 4.02Å; L432-L436 HydrophobicContact CG-CG 4.48Å; L432-L436 WeakPolarHBondContact O-CG 3.28Å; L432-L436 PolarHBondContact O-N 3.37Å
433	N	94.4	Very high	89.8	Confident	86 Å²	86	104.3 Å²	104.3	46%	0.46	50%	0.504	S	S	.	.	H	α-helix	trans	-58.8	-39.2	177.8	-73.4	-16	0	0	0	112.1	K429 H430 A437	K429-N433 WeakPolarHBondContact O-CB 3.49Å; K429-N433 VanDerWaalsContact O-CG 3.3Å; K429-N433 PolarHBondContact O-N 3.46Å; K429-N433 PolarHBondContact O-ND2 2.96Å; H430-N433 PolarHBondContact O-N 3.27Å; N433-A437 VanDerWaalsContact O-CB 3.22Å; N433-A437 WeakPolarHBondContact O-CB 3.4Å; N433-A437 PolarHBondContact O-N 3.45Å
434	K	94.3	Very high	89.3	Confident	108 Å²	108	107.8 Å²	107.8	47%	0.47	52%	0.515	S	S	.	.	H	α-helix	trans	-65.3	-39.1	175.8	-174	177.2	-176.4	175.7	0	112.2	H430 L431 L432 K438	H430-K434 VanDerWaalsContact O-CB 3.3Å; H430-K434 WeakPolarHBondContact O-CB 3.24Å; H430-K434 PolarHBondContact O-N 2.91Å; L431-K434 PolarHBondContact O-N 2.91Å; L432-K434 VanDerWaalsContact C-N 3.27Å; L432-K434 PolarHBondContact O-N 2.81Å; K434-K438 VanDerWaalsContact O-CG 3.3Å; K434-K438 WeakPolarHBondContact O-CG 3.4Å; K434-K438 PolarHBondContact O-N 3.49Å; K434-K438 VanDerWaalsContact O-N 3.12Å
435	K	93.4	Very high	88.1	Confident	142 Å²	142	113.7 Å²	113.7	62%	0.617	53%	0.533	S	S	*	.	H	α-helix	trans	-67.1	-50.1	175.6	-75.9	-177.3	178.5	-176.1	0	111.2	L431 L432 A437 K438 E439	L431-K435 WeakPolarHBondContact O-CG 3.48Å; L431-K435 PolarHBondContact O-N 2.86Å; L432-K435 PolarHBondContact O-N 3.11Å; K435-A437 VanDerWaalsContact C-N 3.32Å; K435-A437 PolarHBondContact O-N 3.04Å; K435-K438 WeakPolarHBondContact O-CB 3.44Å; K435-K438 PolarHBondContact O-N 3.38Å; K435-E439 PolarHBondContact O-N 2.95Å
436	L	92.9	Very high	86.6	Confident	90 Å²	90	118.2 Å²	118.2	47%	0.471	55%	0.549	S	S	.	.	H	α-helix	trans	-57.9	-42.7	176.8	-68	173.5	0	0	0	111.9	L432 K438 E439 A440	L432-L436 HydrophobicContact CD1-CD1 4.21Å; L432-L436 HydrophobicContact CD1-CG 4.27Å; L432-L436 HydrophobicContact CG-CD1 4.02Å; L432-L436 HydrophobicContact CG-CG 4.48Å; L432-L436 WeakPolarHBondContact O-CG 3.28Å; L432-L436 PolarHBondContact O-N 3.37Å; L436-K438 PolarHBondContact O-N 3.01Å; L436-E439 PolarHBondContact O-N 3.49Å; L436-A440 WeakPolarHBondContact O-CB 3.45Å; L436-A440 PolarHBondContact O-N 3.42Å
437	A	92	Very high	85.2	Confident	43 Å²	43	119.8 Å²	119.8	36%	0.355	57%	0.565	S	S	.	*	H	α-helix	trans	-64.6	-37.1	176.3	0	0	0	0	0	112.9	N433 K435 R441	N433-A437 VanDerWaalsContact O-CB 3.22Å; N433-A437 WeakPolarHBondContact O-CB 3.4Å; N433-A437 PolarHBondContact O-N 3.45Å; K435-A437 VanDerWaalsContact C-N 3.32Å; K435-A437 PolarHBondContact O-N 3.04Å; A437-R441 WeakPolarHBondContact O-CG 3.48Å; A437-R441 PolarHBondContact O-N 2.94Å; A437-R441 VanDerWaalsContact O-N 3.16Å
438	K	91.7	Very high	83.1	Confident	118 Å²	118	116 Å²	116	51%	0.513	56%	0.559	S	S	.	*	H	α-helix	trans	-66.5	-41.6	174.3	-77.4	177	177.3	-170.9	0	111.4	K434 K435 L436 R441 K442	K434-K438 VanDerWaalsContact O-CG 3.3Å; K434-K438 WeakPolarHBondContact O-CG 3.4Å; K434-K438 PolarHBondContact O-N 3.49Å; K434-K438 VanDerWaalsContact O-N 3.12Å; K435-K438 WeakPolarHBondContact O-CB 3.44Å; K435-K438 PolarHBondContact O-N 3.38Å; L436-K438 PolarHBondContact O-N 3.01Å; K438-R441 PolarHBondContact O-N 3.48Å; K438-K442 PolarHBondContact O-N 3.43Å
439	E	88.5	Confident	80.8	Confident	122 Å²	122	114 Å²	114	57%	0.57	57%	0.565	S	S	*	*	H	α-helix	trans	-66	-44.1	176.9	-74.1	175.9	177.4	0	0	112	K435 L436 R441 K442 S443	K435-E439 PolarHBondContact O-N 2.95Å; L436-E439 PolarHBondContact O-N 3.49Å; E439-R441 PolarHBondContact O-N 3.49Å; E439-K442 PolarHBondContact O-N 3.04Å; E439-K442 VanDerWaalsContact O-N 3.08Å; E439-S443 PolarHBondContact O-N 2.81Å
440	A	87.2	Confident	78.6	Confident	49 Å²	49	113 Å²	113	41%	0.405	57%	0.57	S	S	.	*	H	α-helix	trans	-60.2	-32.4	174.8	0	0	0	0	0	112.9	L436 R444	L436-A440 WeakPolarHBondContact O-CB 3.45Å; L436-A440 PolarHBondContact O-N 3.42Å; A440-R444 PolarHBondContact O-N 2.93Å; A440-R444 PolarHBondContact O-NE 3.42Å
441	R	85.6	Confident	76.3	Confident	156 Å²	156	112.2 Å²	112.2	59%	0.589	57%	0.574	S	S	*	*	H	α-helix	trans	-70.9	-46.1	171.7	-71.1	173.8	-169.7	178.6	2.7	111.4	A437 K438 E439 S443 R444 Y445	A437-R441 WeakPolarHBondContact O-CG 3.48Å; A437-R441 PolarHBondContact O-N 2.94Å; A437-R441 VanDerWaalsContact O-N 3.16Å; K438-R441 PolarHBondContact O-N 3.48Å; E439-R441 PolarHBondContact O-N 3.49Å; R441-S443 VanDerWaalsContact C-N 3.35Å; R441-S443 PolarHBondContact O-N 3.15Å; R441-R444 PolarHBondContact O-N 3.29Å; R441-Y445 VanDerWaalsContact O-CD2 3.26Å; R441-Y445 WeakPolarHBondContact O-CD2 3.43Å; R441-Y445 PolarHBondContact O-N 3.07Å; R441-Y445 VanDerWaalsContact O-N 3.11Å
442	K	82.6	Confident	73.5	Confident	148 Å²	148	119.7 Å²	119.7	64%	0.643	60%	0.596	S	S	*	*	H	α-helix	trans	-60.2	-41.7	177.9	-74.9	-178.3	177.5	-176.7	0	112.6	K438 E439 Y445 R446	K438-K442 PolarHBondContact O-N 3.43Å; E439-K442 PolarHBondContact O-N 3.04Å; E439-K442 VanDerWaalsContact O-N 3.08Å; K442-Y445 PolarHBondContact O-N 2.95Å; K442-R446 PolarHBondContact O-N 3.15Å
443	S	77.2	Confident	71	Confident	75 Å²	75	119 Å²	119	52%	0.524	60%	0.599	S	S	.	*	H	α-helix	trans	-61.9	-43.5	176.6	-178.2	0	0	0	0	111.5	E439 R441 Y445 R446 S447	E439-S443 PolarHBondContact O-N 2.81Å; R441-S443 VanDerWaalsContact C-N 3.35Å; R441-S443 PolarHBondContact O-N 3.15Å; S443-Y445 VanDerWaalsContact C-N 3.35Å; S443-Y445 PolarHBondContact O-N 2.78Å; S443-R446 PolarHBondContact O-N 3.48Å; S443-R446 VanDerWaalsContact O-N 3.14Å; S443-S447 PolarHBondContact O-N 2.82Å
444	R	76.3	Confident	68.2	Low	175 Å²	175	125.2 Å²	125.2	66%	0.66	62%	0.616	S	S	*	*	H	α-helix	trans	-59.3	-38.7	173	-84.8	-174.9	-81.8	171.2	-13.5	113.9	A440 R441 G448	A440-R444 PolarHBondContact O-N 2.93Å; A440-R444 PolarHBondContact O-NE 3.42Å; R441-R444 PolarHBondContact O-N 3.29Å; R444-G448 PolarHBondContact O-N 3.49Å
445	Y	64.4	Low	65.5	Low	196 Å²	196	131.5 Å²	131.5	77%	0.769	64%	0.636	S	S	*	*	H	α-helix	trans	-71.3	-31.8	175.7	-81.9	-77.5	0	0	0	113.1	R441 K442 S443	R441-Y445 VanDerWaalsContact O-CD2 3.26Å; R441-Y445 WeakPolarHBondContact O-CD2 3.43Å; R441-Y445 PolarHBondContact O-N 3.07Å; R441-Y445 VanDerWaalsContact O-N 3.11Å; K442-Y445 PolarHBondContact O-N 2.95Å; S443-Y445 VanDerWaalsContact C-N 3.35Å; S443-Y445 PolarHBondContact O-N 2.78Å
446	R	58.3	Low	62.5	Low	228 Å²	228	135.1 Å²	135.1	86%	0.86	65%	0.646	S	S	*	*	H	α-helix	trans	-71	-37.8	173.9	-74.7	-174.1	178.1	-174.3	-1.3	112.4	K442 S443	K442-R446 PolarHBondContact O-N 3.15Å; S443-R446 PolarHBondContact O-N 3.48Å; S443-R446 VanDerWaalsContact O-N 3.14Å
447	S	57.7	Low	59.8	Low	99 Å²	99	136.3 Å²	136.3	69%	0.692	66%	0.662	S	S	*	*	H	α-helix	trans	-78	-20.7	173.6	-67.7	0	0	0	0	113.8	S443	S443-S447 PolarHBondContact O-N 2.82Å
448	G	46.8	Very low	57.1	Low	43 Å²	43	142 Å²	142	44%	0.443	68%	0.681	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.5	4.7	-179.8	0	0	0	0	0	115.8	R444 T450	R444-G448 PolarHBondContact O-N 3.49Å; G448-T450 PolarHBondContact O-N 3.49Å; G448-T450 VanDerWaalsContact O-N 3.09Å
449	G	42.1	Very low	54.4	Low	62 Å²	62	141 Å²	141	64%	0.639	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-0.6	-176.4	0	0	0	0	0	116.3
450	T	45.3	Very low	51.9	Low	112 Å²	112	142.1 Å²	142.1	69%	0.687	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	29.4	179.6	-10.2	0	0	0	0	113.9	G448 S453	G448-T450 PolarHBondContact O-N 3.49Å; G448-T450 VanDerWaalsContact O-N 3.09Å; T450-S453 PolarHBondContact O-OG 3.3Å
451	V	44.9	Very low	49.3	Very low	107 Å²	107	147.5 Å²	147.5	65%	0.648	72%	0.721	S	S	*	*	S	Bend	trans	-114.5	5.5	175.8	-169.9	0	0	0	0	113.3
452	W	35.3	Very low	46.8	Very low	255 Å²	255	145.1 Å²	145.1	97%	0.966	73%	0.729	S	S	*	*	S	Bend	trans	-93.4	2.7	164.7	-96.2	54.4	0	0	0	114.2
453	S	39.7	Very low	44.3	Very low	84 Å²	84	143.5 Å²	143.5	59%	0.587	74%	0.736	S	S	*	*	S	Bend	trans	-90.4	1.8	171	54.1	0	0	0	0	114.1	T450 R455	T450-S453 PolarHBondContact O-OG 3.3Å; S453-R455 VanDerWaalsContact C-N 3.28Å; S453-R455 PolarHBondContact O-N 3.15Å
454	R	37.2	Very low	42.1	Very low	218 Å²	218	147.2 Å²	147.2	82%	0.823	75%	0.749	S	S	*	*			trans	-85.3	17.3	-179.8	-136.4	-178.9	-140.5	-146.4	4.6	115.5
455	R	36	Very low	40	Very low	239 Å²	239	144.4 Å²	144.4	90%	0.902	76%	0.756	S	S	*	*	S	Bend	trans	-121.5	56.7	170.4	-81.8	-167.9	-175.9	-133.3	3.2	112.2	S453	S453-R455 VanDerWaalsContact C-N 3.28Å; S453-R455 PolarHBondContact O-N 3.15Å
456	R	31.2	Very low	38.3	Very low	219 Å²	219	145.7 Å²	145.7	83%	0.826	76%	0.759	S	S	*	*			trans	-173.9	67.4	145.6	-108.6	-179	-140.9	-158.7	4.2	109.4	Q458	R456-Q458 VanDerWaalsContact C-N 3.26Å
457	S	35.8	Very low	37.1	Very low	115 Å²	115	141 Å²	141	80%	0.804	76%	0.761	S	S	*	*			trans	-98.3	65.3	153.3	-54.8	0	0	0	0	106.6	S459	S457-S459 PolarHBondContact O-N 2.82Å
458	Q	35.2	Very low	35.8	Very low	161 Å²	161	141 Å²	141	75%	0.752	76%	0.762	S	S	*	*			trans	-76.3	100.7	159.8	-83.7	179.6	-20.9	0	0	105.8	R456 V460	R456-Q458 VanDerWaalsContact C-N 3.26Å; Q458-V460 PolarHBondContact O-N 3.3Å
459	S	34.9	Very low	34.9	Very low	99 Å²	99	150.1 Å²	150.1	69%	0.692	78%	0.783	S	S	*	*			trans	20.9	98.1	130.4	162.5	0	0	0	0	114.9	S457	S457-S459 PolarHBondContact O-N 2.82Å
460	V	36.3	Very low	34.3	Very low	144 Å²	144	154.7 Å²	154.7	87%	0.873	79%	0.792	S	S	*	*			trans	-135	87	139.9	-165.4	0	0	0	0	106.1	Q458	Q458-V460 PolarHBondContact O-N 3.3Å
461	E	32.5	Very low	33.5	Very low	162 Å²	162	156 Å²	156	76%	0.757	79%	0.794	S	S	*	*			trans	-60.3	146.5	160.7	-76.4	166.2	141.6	0	0	109.6
462	S	32.3	Very low	32.6	Very low	107 Å²	107	155.4 Å²	155.4	75%	0.748	80%	0.8	S	S	*	*			trans	59.4	93.7	147.1	57.8	0	0	0	0	118.3
463	S	30.9	Very low	32.2	Very low	114 Å²	114	148 Å²	148	80%	0.797	79%	0.787	S	S	*	*			trans	173.2	117	149.3	-81.8	0	0	0	0	106.1
464	L	31.8	Very low	31.5	Very low	152 Å²	152	149.2 Å²	149.2	80%	0.796	80%	0.796	S	S	*	*			cis	-159.3	115.3	26.4	-80.8	135.1	0	0	0	107.1
465	S	30.9	Very low	30.9	Very low	116 Å²	116	143.6 Å²	143.6	81%	0.811	79%	0.79	S	S	*	*	S	Bend	trans	-69	137.4	142.9	-49.1	0	0	0	0	107.1
466	R	29.5	Very low	30.4	Very low	223 Å²	223	138.3 Å²	138.3	84%	0.842	79%	0.788	S	S	*	*			trans	91.7	88.7	178.6	-56.9	175.7	164.6	-175.3	-4.7	115.9
467	S	31.9	Very low	30.3	Very low	129 Å²	129	131.5 Å²	131.5	90%	0.902	79%	0.786	S	S	*	*				-152.4	73.6	129.7	-83.3	0	0	0	0	108.9
468	S	30.7	Very low	29.7	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	78%	0.784	S	S	*	*			trans	-68.8	127.8	153.3	43.5	0	0	0	0	108.9
469	R	27.9	Very low	29.3	Very low	235 Å²	235	129.5 Å²	129.5	89%	0.887	79%	0.785	S	S	*	*			trans	69.9	93.9	157.7	-56.4	176.4	-172.7	-175.3	1.5	117
470	L	29.3	Very low	29.1	Very low	157 Å²	157	131.5 Å²	131.5	82%	0.822	79%	0.786	S	S	*	*			trans	-145.6	111.5	136.4	-80.3	-179.5	0	0	0	110.1
471	L	29.1	Very low	28.6	Very low	140 Å²	140	131.6 Å²	131.6	73%	0.733	78%	0.78	S	S	*	*			trans	69.4	114.2	143.3	-53.9	161.2	0	0	0	116.3
472	A	25.4	Very low	28.4	Very low	94 Å²	94	130.2 Å²	130.2	78%	0.777	78%	0.783	S	S	*	*			cis	43	59.7	20.8	0	0	0	0	0	113.2
473	S	26.9	Very low	28	Very low	101 Å²	101	130.2 Å²	130.2	71%	0.706	78%	0.779	S	S	*	*			trans	173.8	141.5	135.7	-76.7	0	0	0	0	112.1
474	S	26.1	Very low	27.9	Very low	109 Å²	109	131.6 Å²	131.6	76%	0.762	78%	0.783	S	S	*	*			trans	69.5	103.8	153.5	71.4	0	0	0	0	120.8
475	S	24.9	Very low	27.5	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	78%	0.781	S	S	*	*				86.9	128.6	110.7	99.9	0	0	0	0	120.2
476	C	25.3	Very low	27.5	Very low	127 Å²	127	130.9 Å²	130.9	86%	0.858	78%	0.775	S	S	*	*			trans	73.5	108.1	141.6	-57.1	0	0	0	0	117.8
477	G	27.8	Very low	27.3	Very low	76 Å²	76	130.3 Å²	130.3	78%	0.784	77%	0.773	S	S	*	*			trans	168.4	75.3	163.8	0	0	0	0	0	113.4
478	S	25	Very low	26.9	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	77%	0.767	S	S	*	*			trans	-32.3	152.7	159.9	-50.8	0	0	0	0	113
479	T	26.5	Very low	27.1	Very low	124 Å²	124	129.7 Å²	129.7	76%	0.761	77%	0.773	S	S	*	*				179.9	155.3	58.9	-41.7	0	0	0	0	109.7
480	I	30.7	Very low	26.9	Very low	142 Å²	142	124.9 Å²	124.9	73%	0.728	77%	0.765	S	S	*	*			trans	92.4	89.1	154.1	-43.1	-177.1	0	0	0	117.1
481	I	25.1	Very low	27	Very low	146 Å²	146	126.1 Å²	126.1	75%	0.749	77%	0.766	S	S	*	*			trans	-58.2	130.2	145	-64.6	165.6	0	0	0	109	T483	I481-T483 HydrophobicContact CG2-CG2 3.81Å
482	T	28.9	Very low	27.1	Very low	133 Å²	133	124.1 Å²	124.1	82%	0.816	76%	0.762	S	S	*	*			trans	-116.9	105.7	153.5	-27.5	0	0	0	0	108
483	T	23.5	Very low	27.2	Very low	107 Å²	107	127.3 Å²	127.3	66%	0.656	77%	0.765	S	S	*	*			trans	-74.3	131.7	166.9	39.5	0	0	0	0	110.4	I481	I481-T483 HydrophobicContact CG2-CG2 3.81Å
484	T	28.7	Very low	27.2	Very low	143 Å²	143	128 Å²	128	88%	0.877	77%	0.765	S	S	*	*			trans	-146.8	111	133.7	43.5	0	0	0	0	109
485	T	24.1	Very low	26.9	Very low	123 Å²	123	133.9 Å²	133.9	76%	0.755	77%	0.77	S	S	*	*			trans	-62.7	139.5	162.4	42.3	0	0	0	0	111.6
486	D	29.2	Very low	27.1	Very low	130 Å²	130	134.8 Å²	134.8	70%	0.695	78%	0.777	S	S	*	*				-160.7	106.7	126.4	-105.9	-27.2	0	0	0	112.2
487	R	26.7	Very low	27	Very low	210 Å²	210	133.1 Å²	133.1	79%	0.792	77%	0.767	S	S	*	*				58.7	111.6	126	-70.4	-178.8	165.4	135.6	-8.3	122.1
488	C	23.9	Very low	26.9	Very low	115 Å²	115	132.9 Å²	132.9	78%	0.777	76%	0.764	S	S	*	*				62.7	111.8	118.5	-57.1	0	0	0	0	120
489	A	33.2	Very low	26.9	Very low	101 Å²	101	136.3 Å²	136.3	84%	0.835	77%	0.768	S	S	*	*				-156.6	114.1	115.9	0	0	0	0	0	110.3
490	D	25.5	Very low	26.7	Very low	134 Å²	134	137.3 Å²	137.3	72%	0.717	76%	0.764	S	S	*	*			trans	-50.7	149.1	158.6	-52	-72	0	0	0	110.3
491	H	30	Very low	26.6	Very low	183 Å²	183	138.2 Å²	138.2	85%	0.847	77%	0.77	S	S	*	*				-170.2	167.7	55.2	-116.5	-74.3	0	0	0	109.8
492	P	31.7	Very low	26.4	Very low	98 Å²	98	138.9 Å²	138.9	64%	0.636	77%	0.77	S	S	*	*			trans	-100.1	161.4	-168.6	39.4	-31.1	0	0	0	113
493	L	28.2	Very low	26.5	Very low	162 Å²	162	142.9 Å²	142.9	85%	0.848	77%	0.772	S	S	*	*			trans	-155.8	103.7	147.5	-97.9	139.1	0	0	0	110.6
494	T	25.4	Very low	26.4	Very low	114 Å²	114	141 Å²	141	70%	0.699	77%	0.773	S	S	*	*				50.2	99.4	129.1	56.6	0	0	0	0	120.3
495	R	20.6	Very low	26.3	Very low	233 Å²	233	140.3 Å²	140.3	88%	0.879	77%	0.769	S	S	*	*				28	109.3	105.7	-163.4	177.1	174.9	-177.5	-1.1	117.6
496	S	28.1	Very low	26.2	Very low	119 Å²	119	140.7 Å²	140.7	83%	0.832	77%	0.771	S	S	*	*			trans	-146.6	101.5	144.5	-160.7	0	0	0	0	105.1
497	S	24.2	Very low	25.9	Very low	92 Å²	92	137.5 Å²	137.5	64%	0.643	77%	0.769	S	S	*	*				55.3	109.3	66.7	-57.1	0	0	0	0	113.9
498	G	25.5	Very low	25.7	Very low	71 Å²	71	137.9 Å²	137.9	73%	0.732	78%	0.777	S	S	*	*			trans	146.3	62.6	-179	0	0	0	0	0	109
499	Q	24.3	Very low	25.6	Very low	182 Å²	182	135.3 Å²	135.3	85%	0.85	77%	0.77	S	S	*	*				50.1	110.4	88.2	-87.3	-172.2	-14.2	0	0	114.4
500	H	22.7	Very low	25.3	Very low	146 Å²	146	137.9 Å²	137.9	68%	0.676	77%	0.77	S	S	*	*			trans	40	113	138.3	-83.1	-93.9	0	0	0	118.3	E502	H500-E502 IonicContact CE1-OE2 3.86Å; H500-E502 IonicContact ND1-OE2 3.77Å
501	D	29.4	Very low	25.3	Very low	161 Å²	161	138.4 Å²	138.4	86%	0.861	77%	0.772	S	S	*	*			trans	-128.7	108.6	134.3	-86.2	-42.6	0	0	0	109
502	E	21.4	Very low	24.9	Very low	160 Å²	160	137.3 Å²	137.3	75%	0.748	77%	0.767	S	S	*	*			trans	-108.8	100.6	174.8	-151	-179.5	174.2	0	0	106.2	H500	H500-E502 IonicContact CE1-OE2 3.86Å; H500-E502 IonicContact ND1-OE2 3.77Å
503	Y	30.5	Very low	24.8	Very low	217 Å²	217	141.6 Å²	141.6	85%	0.851	78%	0.779	S	S	*	*			trans	-137.5	113.5	158.9	-79.5	-87.7	0	0	0	103.3
504	G	22	Very low	24.6	Very low	66 Å²	66	139.5 Å²	139.5	68%	0.68	77%	0.768	S	S	*	*			cis	85	111.1	43.5	0	0	0	0	0	108.9
505	T	25.4	Very low	24.7	Very low	129 Å²	129	143.6 Å²	143.6	79%	0.791	77%	0.772	S	S	*	*			trans	122.8	88.7	151.4	-42.5	0	0	0	0	116
506	T	22.4	Very low	24.8	Very low	132 Å²	132	140.4 Å²	140.4	81%	0.81	77%	0.773	S	S	*	*				14.5	134.7	125.1	52.6	0	0	0	0	119.9
507	G	22.8	Very low	24.9	Very low	63 Å²	63	142.4 Å²	142.4	65%	0.649	77%	0.769	S	S	*	*			trans	157.6	98.8	142.2	0	0	0	0	0	117.9
508	F	23.5	Very low	24.9	Very low	217 Å²	217	148.5 Å²	148.5	95%	0.952	78%	0.778	S	S	*	*			trans	66.3	108.1	140.1	-69.1	-84.1	0	0	0	121.7
509	G	21.7	Very low	25	Very low	61 Å²	61	153.6 Å²	153.6	63%	0.629	79%	0.787	S	S	*	*				95.3	102.6	113.6	0	0	0	0	0	117.2
510	N	25.6	Very low	25.1	Very low	155 Å²	155	152.7 Å²	152.7	83%	0.829	78%	0.783	S	S	*	*				171.2	135.4	101.8	-90.9	-41.9	0	0	0	113.5
511	L	25.5	Very low	25.1	Very low	146 Å²	146	153.1 Å²	153.1	76%	0.764	79%	0.789	S	S	*	*			trans	71.1	84.7	147.3	-76.2	152	0	0	0	119.4	Q513	L511-Q513 PolarHBondContact O-N 2.9Å
512	Q	22.5	Very low	25	Very low	160 Å²	160	151.6 Å²	151.6	75%	0.748	79%	0.785	S	S	*	*			trans	-45.5	119.5	138.9	-174.5	166.5	-3.1	0	0	112.5	N514	Q512-N514 PolarHBondContact NE2-ND2 2.87Å
513	Q	30	Very low	25	Very low	188 Å²	188	151.6 Å²	151.6	88%	0.879	79%	0.785	S	S	*	*			trans	-127.5	92	150.5	-81.3	-172.2	-10.3	0	0	108.3	L511	L511-Q513 PolarHBondContact O-N 2.9Å
514	N	24.5	Very low	24.5	Very low	118 Å²	118	146.3 Å²	146.3	63%	0.631	78%	0.779	S	S	*	*			trans	-60.4	136.5	153.6	-85.6	-44.3	0	0	0	108.5	Q512	Q512-N514 PolarHBondContact NE2-ND2 2.87Å
515	Y	26.8	Very low	24.5	Very low	200 Å²	200	154 Å²	154	78%	0.784	79%	0.788	S	S	*	*				-173.9	90.4	123.7	-107.9	-79.2	0	0	0	109.8
516	D	22.9	Very low	24.4	Very low	166 Å²	166	155.5 Å²	155.5	89%	0.888	79%	0.791	S	S	*	*			trans	-69.3	117.4	149.9	-90	-47.5	0	0	0	108.7
517	Q	29.4	Very low	24.5	Very low	160 Å²	160	154.7 Å²	154.7	75%	0.748	79%	0.791	S	S	*	*			trans	-142.5	93.1	159	-129.8	172.9	22.6	0	0	111.6
518	R	25.2	Very low	24.5	Very low	221 Å²	221	159.7 Å²	159.7	83%	0.834	80%	0.802	S	S	*	*			trans	28.5	97.1	139.5	-66	-177.8	176.8	-176.8	-0.1	117.1	Q520	R518-Q520 PolarHBondContact O-N 3.47Å
519	L	27.6	Very low	24.6	Very low	178 Å²	178	155.5 Å²	155.5	93%	0.932	79%	0.794	S	S	*	*			trans	-73.5	93.4	151.5	-77.4	156.2	0	0	0	109.1
520	Q	26.1	Very low	24.6	Very low	163 Å²	163	159.7 Å²	159.7	76%	0.762	80%	0.802	S	S	*	*			trans	-82.7	116.3	160.2	-93.3	-174	-2.5	0	0	109.3	R518 V522	R518-Q520 PolarHBondContact O-N 3.47Å; Q520-V522 PolarHBondContact O-N 2.74Å
521	I	23.1	Very low	24.4	Very low	154 Å²	154	161.4 Å²	161.4	79%	0.79	80%	0.797	S	S	*	*			trans	-66.2	108.6	166.4	-63.6	163.1	0	0	0	107.1
522	V	26.2	Very low	24.3	Very low	130 Å²	130	161.5 Å²	161.5	79%	0.788	79%	0.793	S	S	*	*			trans	-117.9	121.5	157.6	176.4	0	0	0	0	107.9	Q520	Q520-V522 PolarHBondContact O-N 2.74Å
523	Q	20.6	Very low	24.4	Very low	160 Å²	160	158.4 Å²	158.4	75%	0.748	79%	0.789	S	S	*	*			trans	-73.9	152	178.6	-66.4	171.1	-33.4	0	0	111.4
524	S	20.8	Very low	24.3	Very low	105 Å²	105	158.5 Å²	158.5	73%	0.734	79%	0.79	S	S	*	*			trans	102.6	123.9	140.6	-65	0	0	0	0	119.8
525	R	23.1	Very low	24.3	Very low	228 Å²	228	160.3 Å²	160.3	86%	0.86	80%	0.795	S	S	*	*			trans	89.4	103.4	146.8	-76.2	178.3	169.3	175.4	-3.4	119
526	N	22.1	Very low	24.3	Very low	161 Å²	161	158.1 Å²	158.1	86%	0.861	80%	0.796	S	S	*	*				33.6	108.5	126.6	-65.4	1.3	0	0	0	117.3
527	S	25	Very low	24.2	Very low	114 Å²	114	159.4 Å²	159.4	80%	0.797	79%	0.794	S	S	*	*				-158.8	130.8	129.8	35.8	0	0	0	0	110.3
528	L	22.1	Very low	24.1	Very low	168 Å²	168	155 Å²	155	88%	0.88	79%	0.792	S	S	*	*			trans	-60.2	136.9	161.6	-83.4	76.3	0	0	0	109.2
529	T	25.5	Very low	24.1	Very low	129 Å²	129	152.6 Å²	152.6	79%	0.791	80%	0.795	S	S	*	*			trans	179.6	99.3	143.5	20.9	0	0	0	0	104.4
530	D	21.5	Very low	23.9	Very low	149 Å²	149	153.8 Å²	153.8	80%	0.797	80%	0.796	S	S	*	*				62.9	132	81.3	-149.9	6.9	0	0	0	112.8
531	R	22.8	Very low	24	Very low	191 Å²	191	151 Å²	151	72%	0.721	79%	0.794	S	S	*	*			trans	88.1	102.8	170.9	-68.9	-172.8	159.5	-175.7	-6.3	121.5
532	Q	22.5	Very low	24.2	Very low	148 Å²	148	150.1 Å²	150.1	69%	0.692	80%	0.796	S	S	*	*				86.1	120.5	109.6	-75	175.7	-12.3	0	0	120.1
533	S	24.4	Very low	24.4	Very low	95 Å²	95	148.6 Å²	148.6	66%	0.664	79%	0.791	S	S	*	*			trans	66.3	101.7	132.6	68.3	0	0	0	0	118.2
534	Q	28.2	Very low	24.7	Very low	190 Å²	190	146.8 Å²	146.8	89%	0.888	79%	0.791	S	S	*	*			trans	-126.1	102.8	131.2	-78.7	-171.1	-14.3	0	0	109.1
535	Q	24.4	Very low	25.1	Very low	157 Å²	157	147.9 Å²	147.9	73%	0.734	79%	0.787	S	S	*	*			trans	-69.1	119.3	158.4	-68.5	175	-20.3	0	0	107.1	F537	Q535-F537 HydrophobicContact CB-CD2 4.45Å
536	N	27.2	Very low	25.3	Very low	153 Å²	153	144.8 Å²	144.8	82%	0.818	78%	0.782	S	S	*	*			trans	-117.6	98.6	157.1	-93.5	-25.4	0	0	0	107.5
537	F	21.1	Very low	25.7	Very low	193 Å²	193	143.1 Å²	143.1	85%	0.846	77%	0.773	S	S	*	*			trans	-66.3	123	161.6	-86.7	-96.4	0	0	0	108.4	Q535	Q535-F537 HydrophobicContact CB-CD2 4.45Å
538	G	25.8	Very low	26	Very low	67 Å²	67	142.2 Å²	142.2	69%	0.691	77%	0.767	S	S	*	*			trans	-162.8	84.6	177.6	0	0	0	0	0	111.2
539	L	26.9	Very low	26.7	Very low	172 Å²	172	141 Å²	141	90%	0.901	76%	0.757	S	S	*	*			trans	45.4	113	152.6	-74.3	147	0	0	0	118.8	S541	L539-S541 PolarHBondContact O-N 3.43Å
540	Q	23.4	Very low	27.6	Very low	202 Å²	202	138.3 Å²	138.3	94%	0.944	75%	0.754	S	S	*	*			trans	-51	89.6	164.8	-68.1	167.1	-31.4	0	0	111.7
541	S	26.9	Very low	29.1	Very low	104 Å²	104	135.5 Å²	135.5	73%	0.727	75%	0.746	S	S	*	*			trans	-80.1	118.7	151.2	61.9	0	0	0	0	106.6	L539 S543	L539-S541 PolarHBondContact O-N 3.43Å; S541-S543 PolarHBondContact O-N 3.33Å
542	V	27	Very low	31.3	Very low	137 Å²	137	133.6 Å²	133.6	83%	0.83	74%	0.743	S	S	*	*			trans	-39.3	109.3	168.8	175.8	0	0	0	0	107.2	V544	V542-V544 VanDerWaalsContact C-N 3.26Å; V542-V544 PolarHBondContact O-N 2.91Å
543	S	30.3	Very low	33.9	Very low	98 Å²	98	131.5 Å²	131.5	69%	0.685	73%	0.734	S	S	*	*			trans	-59.5	99.6	176.2	48.5	0	0	0	0	105.9	S541 I545	S541-S543 PolarHBondContact O-N 3.33Å; S543-I545 VanDerWaalsContact C-N 3.34Å; S543-I545 PolarHBondContact O-N 3.14Å
544	V	27.3	Very low	36.7	Very low	122 Å²	122	130.6 Å²	130.6	74%	0.739	73%	0.725	S	S	*	*			trans	-39.5	114.5	145.8	175.9	0	0	0	0	103.6	V542 Q546	V542-V544 VanDerWaalsContact C-N 3.26Å; V542-V544 PolarHBondContact O-N 2.91Å; V544-Q546 PolarHBondContact O-N 3.47Å
545	I	29.9	Very low	39.4	Very low	127 Å²	127	125.2 Å²	125.2	65%	0.651	70%	0.702	S	S	*	*			trans	-53.1	97.6	173.2	-63.2	170.6	0	0	0	103.5	S543 D547	S543-I545 VanDerWaalsContact C-N 3.34Å; S543-I545 PolarHBondContact O-N 3.14Å; I545-D547 WeakPolarHBondContact CG2-OD1 3.26Å; I545-D547 PolarHBondContact O-N 3.47Å
546	Q	26.1	Very low	42.1	Very low	163 Å²	163	119 Å²	119	76%	0.762	68%	0.678	S	S	*	*			trans	-68	95.6	169.4	-88.9	-177.3	-22.1	0	0	102.2	V544 S548	V544-Q546 PolarHBondContact O-N 3.47Å; Q546-S548 PolarHBondContact O-N 3.06Å; Q546-S548 PolarHBondContact O-OG 2.89Å; Q546-S548 VanDerWaalsContact O-OG 3.11Å
547	D	31.4	Very low	44.9	Very low	126 Å²	126	116.2 Å²	116.2	67%	0.674	66%	0.66	S	S	*	*			trans	-57.4	76.2	166.8	-75.2	-21.9	0	0	0	108.1	I545 H549	I545-D547 WeakPolarHBondContact CG2-OD1 3.26Å; I545-D547 PolarHBondContact O-N 3.47Å; D547-H549 PolarHBondContact O-N 3.38Å; D547-H549 IonicContact OD1-CD2 2.81Å; D547-H549 PolarHBondContact OD1-CD2 3.47Å; D547-H549 VanDerWaalsContact OD1-CD2 3.26Å; D547-H549 IonicContact OD1-NE2 4Å
548	S	31.8	Very low	48.1	Very low	96 Å²	96	107.4 Å²	107.4	67%	0.671	62%	0.621	S	S	*	*			trans	-80.7	23.9	164.6	-46.9	0	0	0	0	108.6	Q546 G550	Q546-S548 PolarHBondContact O-N 3.06Å; Q546-S548 PolarHBondContact O-OG 2.89Å; Q546-S548 VanDerWaalsContact O-OG 3.11Å; S548-G550 PolarHBondContact O-N 3.02Å
549	H	37.2	Very low	51	Low	143 Å²	143	105.1 Å²	105.1	66%	0.662	59%	0.593	S	S	*	*			trans	-82.9	43.1	-166.6	-75.6	-58.2	0	0	0	113.5	D547 S551	D547-H549 PolarHBondContact O-N 3.38Å; D547-H549 IonicContact OD1-CD2 2.81Å; D547-H549 PolarHBondContact OD1-CD2 3.47Å; D547-H549 VanDerWaalsContact OD1-CD2 3.26Å; D547-H549 IonicContact OD1-NE2 4Å; H549-S551 PolarHBondContact O-N 3.38Å
550	G	42.6	Very low	53.9	Low	71 Å²	71	98.9 Å²	98.9	73%	0.732	56%	0.559	S	S	*	*			trans	-87	33.8	149.6	0	0	0	0	0	111.1	S548 K552	S548-G550 PolarHBondContact O-N 3.02Å; G550-K552 PolarHBondContact O-N 2.76Å
551	S	54.9	Low	57	Low	90 Å²	90	92.5 Å²	92.5	63%	0.629	53%	0.531	S	S	*	.			trans	-59.9	112.2	-174.7	-164.3	0	0	0	0	108.6	H549 M553	H549-S551 PolarHBondContact O-N 3.38Å; S551-M553 PolarHBondContact O-N 3.46Å
552	K	68.3	Low	59.9	Low	151 Å²	151	87.8 Å²	87.8	66%	0.657	50%	0.498	S	S	*	.			trans	-64.9	100	178.2	-66.4	-179.3	178.4	-166	0	108	D426 G550 T554	D426-K552 WeakPolarHBondContact OD2-CE 3.21Å; D426-K552 IonicContact OD2-NZ 3.17Å; D426-K552 PolarHBondContact OD2-NZ 3.34Å; G550-K552 PolarHBondContact O-N 2.76Å; K552-T554 PolarHBondContact O-N 3.25Å
553	M	77.9	Confident	62.7	Low	105 Å²	105	81.4 Å²	81.4	52%	0.517	46%	0.459	S	S	.	.			trans	-60.2	126.2	170.9	-78.1	-173	161.8	0	0	109.4	S551 E557 I558	S551-M553 PolarHBondContact O-N 3.46Å; M553-E557 WeakPolarHBondContact CA-OE2 3.26Å; M553-E557 HydrophobicContact CB-CB 4.45Å; M553-I558 HydrophobicContact CB-CD1 4.23Å; M553-I558 HydrophobicContact CB-CG1 3.97Å
554	T	83.3	Confident	65.3	Low	76 Å²	76	80 Å²	80	47%	0.466	44%	0.444	S	S	.	.			trans	-68.9	156.9	171.1	62.6	0	0	0	0	110.2	K552 A556 E557 I558	K552-T554 PolarHBondContact O-N 3.25Å; T554-A556 PolarHBondContact O-N 2.68Å; T554-E557 WeakPolarHBondContact CB-OE2 3.25Å; T554-E557 PolarHBondContact N-OE2 3.3Å; T554-E557 PolarHBondContact O-N 2.88Å; T554-E557 VanDerWaalsContact O-N 3.07Å; T554-E557 VanDerWaalsContact OG1-CD 3.31Å; T554-E557 VanDerWaalsContact OG1-CG 3.27Å; T554-E557 WeakPolarHBondContact OG1-CG 3.33Å; T554-E557 PolarHBondContact OG1-N 3.49Å; T554-E557 PolarHBondContact OG1-OE2 3.3Å; T554-I558 WeakPolarHBondContact O-CD1 3.26Å; T554-I558 WeakPolarHBondContact O-CG1 3.05Å; T554-I558 PolarHBondContact O-N 3.04Å; T554-I558 VanDerWaalsContact O-N 3.08Å
555	D	82.9	Confident	68.1	Low	77 Å²	77	75.1 Å²	75.1	41%	0.412	41%	0.413	S	S	.	.	H	α-helix	trans	-55.8	-38.7	176.4	-166.5	73.6	0	0	0	111.6	E557 I558 Q559	D555-E557 PolarHBondContact O-N 2.91Å; D555-I558 PolarHBondContact O-N 3.39Å; D555-Q559 VanDerWaalsContact O-CG 3.3Å; D555-Q559 WeakPolarHBondContact O-CG 3.39Å; D555-Q559 PolarHBondContact O-N 3.01Å
556	A	82.6	Confident	70.3	Confident	26 Å²	26	70.8 Å²	70.8	22%	0.215	39%	0.394	C	S	.	.	H	α-helix	trans	-62.2	-40.2	176.1	0	0	0	0	0	113.4	R362 T554 Q559 Q560	R362-A556 HydrophobicContact CB-CB 4.29Å; T554-A556 PolarHBondContact O-N 2.68Å; A556-Q559 PolarHBondContact O-N 3.36Å; A556-Q560 WeakPolarHBondContact O-CB 3.35Å; A556-Q560 PolarHBondContact O-N 3.44Å
557	E	86.5	Confident	72.4	Confident	95 Å²	95	63.9 Å²	63.9	44%	0.444	37%	0.367	S	S	.	.	H	α-helix	trans	-66.8	-39.4	176.1	-73.5	163.8	141.8	0	0	111.5	M553 T554 D555 Q560 L561	M553-E557 WeakPolarHBondContact CA-OE2 3.26Å; M553-E557 HydrophobicContact CB-CB 4.45Å; T554-E557 WeakPolarHBondContact CB-OE2 3.25Å; T554-E557 PolarHBondContact N-OE2 3.3Å; T554-E557 PolarHBondContact O-N 2.88Å; T554-E557 VanDerWaalsContact O-N 3.07Å; T554-E557 VanDerWaalsContact OG1-CD 3.31Å; T554-E557 VanDerWaalsContact OG1-CG 3.27Å; T554-E557 WeakPolarHBondContact OG1-CG 3.33Å; T554-E557 PolarHBondContact OG1-N 3.49Å; T554-E557 PolarHBondContact OG1-OE2 3.3Å; D555-E557 PolarHBondContact O-N 2.91Å; E557-Q560 PolarHBondContact O-N 2.99Å; E557-L561 WeakPolarHBondContact O-CB 3.47Å; E557-L561 PolarHBondContact O-N 2.99Å
558	I	87.1	Confident	74.8	Confident	7 Å²	7	63.9 Å²	63.9	4%	0.036	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-47.7	175.9	-65.9	150	0	0	0	110.5	I415 T419 M553 T554 D555 Q560 L561 L562	I415-I558 HydrophobicContact CG2-CG2 3.93Å; T419-I558 HydrophobicContact CG2-CD1 3.32Å; T419-I558 HydrophobicContact CG2-CG1 4.3Å; M553-I558 HydrophobicContact CB-CD1 4.23Å; M553-I558 HydrophobicContact CB-CG1 3.97Å; T554-I558 WeakPolarHBondContact O-CD1 3.26Å; T554-I558 WeakPolarHBondContact O-CG1 3.05Å; T554-I558 PolarHBondContact O-N 3.04Å; T554-I558 VanDerWaalsContact O-N 3.08Å; D555-I558 PolarHBondContact O-N 3.39Å; I558-Q560 VanDerWaalsContact C-N 3.3Å; I558-Q560 PolarHBondContact O-N 3.42Å; I558-L561 PolarHBondContact O-N 3.48Å; I558-L562 HydrophobicContact CG2-CD1 4.21Å; I558-L562 WeakPolarHBondContact O-CG 3.42Å; I558-L562 PolarHBondContact O-N 3.17Å
559	Q	86.5	Confident	77.1	Confident	20 Å²	20	60.8 Å²	60.8	9%	0.093	34%	0.336	C	S	.	.	H	α-helix	trans	-60.6	-41.7	176.8	-64.3	-49.2	-34.1	0	0	111.5	I366 A367 D555 A556 L561 L562 V563	I366-Q559 HydrophobicContact CB-CB 4.09Å; I366-Q559 HydrophobicContact CG2-CB 3.79Å; A367-Q559 HydrophobicContact CB-CG 4.45Å; D555-Q559 VanDerWaalsContact O-CG 3.3Å; D555-Q559 WeakPolarHBondContact O-CG 3.39Å; D555-Q559 PolarHBondContact O-N 3.01Å; A556-Q559 PolarHBondContact O-N 3.36Å; Q559-L561 PolarHBondContact O-N 2.64Å; Q559-L562 PolarHBondContact O-N 2.97Å; Q559-V563 WeakPolarHBondContact O-CG2 3.44Å; Q559-V563 PolarHBondContact O-N 3.47Å
560	Q	87.1	Confident	79.4	Confident	41 Å²	41	54.1 Å²	54.1	19%	0.192	31%	0.305	C	S	.	.	H	α-helix	trans	-63.7	-40.9	176.4	-173.3	65.8	63.5	0	0	112.1	I366 A556 E557 I558 L562 V563 N564	I366-Q560 HydrophobicContact CD1-CB 4.49Å; A556-Q560 WeakPolarHBondContact O-CB 3.35Å; A556-Q560 PolarHBondContact O-N 3.44Å; E557-Q560 PolarHBondContact O-N 2.99Å; I558-Q560 VanDerWaalsContact C-N 3.3Å; I558-Q560 PolarHBondContact O-N 3.42Å; Q560-L562 VanDerWaalsContact C-N 3.35Å; Q560-V563 PolarHBondContact O-N 2.95Å; Q560-N564 PolarHBondContact NE2-OD1 3.4Å; Q560-N564 WeakPolarHBondContact O-CB 3.42Å; Q560-N564 PolarHBondContact O-N 3.19Å; Q560-N564 PolarHBondContact O-ND2 3.5Å; Q560-N564 PolarHBondContact O-OD1 2.96Å
561	L	88.5	Confident	81.4	Confident	68 Å²	68	52 Å²	52	36%	0.356	28%	0.277	S	S	.	.	H	α-helix	trans	-63.3	-42.7	177	-173.6	65.2	0	0	0	111.2	I415 E557 I558 Q559 N564 L565	I415-L561 HydrophobicContact CD1-CD2 3.7Å; I415-L561 HydrophobicContact CD1-CG 3.85Å; I415-L561 HydrophobicContact CG1-CD2 3.83Å; I415-L561 HydrophobicContact CG2-CD2 4.19Å; E557-L561 WeakPolarHBondContact O-CB 3.47Å; E557-L561 PolarHBondContact O-N 2.99Å; I558-L561 PolarHBondContact O-N 3.48Å; Q559-L561 PolarHBondContact O-N 2.64Å; L561-N564 PolarHBondContact O-N 3.12Å; L561-L565 WeakPolarHBondContact O-CB 3.48Å; L561-L565 PolarHBondContact O-N 3.31Å
562	L	87.7	Confident	82.9	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-44.2	175.7	-69.7	174.3	0	0	0	112	R370 R412 I415 I416 I558 Q559 Q560 N564 L565 S566	R370-L562 VanDerWaalsContact NH1-CD1 3.34Å; R412-L562 HydrophobicContact CB-CD2 4.32Å; R412-L562 HydrophobicContact CG-CD2 3.95Å; I415-L562 HydrophobicContact CB-CD2 4.15Å; I415-L562 HydrophobicContact CD1-CD2 4.01Å; I415-L562 HydrophobicContact CG2-CD2 3.95Å; I415-L562 HydrophobicContact CG2-CG 4.2Å; I416-L562 HydrophobicContact CG1-CD1 4.4Å; I558-L562 HydrophobicContact CG2-CD1 4.21Å; I558-L562 WeakPolarHBondContact O-CG 3.42Å; I558-L562 PolarHBondContact O-N 3.17Å; Q559-L562 PolarHBondContact O-N 2.97Å; Q560-L562 VanDerWaalsContact C-N 3.35Å; L562-N564 VanDerWaalsContact C-N 3.35Å; L562-N564 PolarHBondContact O-N 2.82Å; L562-L565 PolarHBondContact O-N 3.48Å; L562-S566 PolarHBondContact O-N 3.43Å; L562-S566 PolarHBondContact O-OG 3.09Å; L562-S566 VanDerWaalsContact O-OG 3.05Å
563	V	86	Confident	83.8	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-43	175.3	167.9	0	0	0	0	111.8	M339 K340 I343 I366 Q559 Q560 L565 S566 G567	M339-V563 HydrophobicContact CG-CG1 4.29Å; M339-V563 HydrophobicContact SD-CB 4.25Å; M339-V563 HydrophobicContact SD-CG1 4.24Å; M339-V563 HydrophobicContact SD-CG2 3.82Å; K340-V563 HydrophobicContact CB-CG1 3.96Å; I343-V563 HydrophobicContact CD1-CG1 3.95Å; I343-V563 HydrophobicContact CD1-CG2 3.83Å; I366-V563 HydrophobicContact CG2-CB 4.47Å; I366-V563 HydrophobicContact CG2-CG2 3.35Å; Q559-V563 WeakPolarHBondContact O-CG2 3.44Å; Q559-V563 PolarHBondContact O-N 3.47Å; Q560-V563 PolarHBondContact O-N 2.95Å; V563-L565 VanDerWaalsContact C-N 3.29Å; V563-L565 PolarHBondContact O-N 2.84Å; V563-S566 PolarHBondContact O-N 3.11Å; V563-G567 PolarHBondContact O-N 3.25Å
564	N	86.5	Confident	84.4	Confident	69 Å²	69	47.6 Å²	47.6	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-38.3	178.1	-68.5	-12.8	0	0	0	111.3	Q560 L561 L562 R568	Q560-N564 PolarHBondContact NE2-OD1 3.4Å; Q560-N564 WeakPolarHBondContact O-CB 3.42Å; Q560-N564 PolarHBondContact O-N 3.19Å; Q560-N564 PolarHBondContact O-ND2 3.5Å; Q560-N564 PolarHBondContact O-OD1 2.96Å; L561-N564 PolarHBondContact O-N 3.12Å; L562-N564 VanDerWaalsContact C-N 3.35Å; L562-N564 PolarHBondContact O-N 2.82Å; N564-R568 WeakPolarHBondContact O-CB 3.23Å; N564-R568 PolarHBondContact O-N 3.49Å
565	L	84.9	Confident	84.6	Confident	19 Å²	19	44.3 Å²	44.3	10%	0.099	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-48.7	176.4	178.5	64.8	0	0	0	111.6	H408 L411 R412 I415 L561 L562 V563 G567 R568	H408-L565 PolarHBondContact CD2-O 3.35Å; H408-L565 VanDerWaalsContact CD2-O 3.28Å; L411-L565 HydrophobicContact CB-CD1 4.14Å; L411-L565 HydrophobicContact CB-CD2 3.63Å; L411-L565 HydrophobicContact CD1-CD1 3.73Å; R412-L565 HydrophobicContact CB-CD2 4.29Å; I415-L565 HydrophobicContact CD1-CD2 3.89Å; L561-L565 WeakPolarHBondContact O-CB 3.48Å; L561-L565 PolarHBondContact O-N 3.31Å; L562-L565 PolarHBondContact O-N 3.48Å; V563-L565 VanDerWaalsContact C-N 3.29Å; V563-L565 PolarHBondContact O-N 2.84Å; L565-G567 PolarHBondContact O-N 2.87Å; L565-R568 PolarHBondContact O-N 3.03Å; L565-R568 VanDerWaalsContact O-N 3.14Å
566	S	77.3	Confident	85	Confident	36 Å²	36	45 Å²	45	25%	0.252	22%	0.224	S	C	.	.	H	α-helix	trans	-59.9	-22.1	-177.4	-64.4	0	0	0	0	114.1	L562 V563	L562-S566 PolarHBondContact O-N 3.43Å; L562-S566 PolarHBondContact O-OG 3.09Å; L562-S566 VanDerWaalsContact O-OG 3.05Å; V563-S566 PolarHBondContact O-N 3.11Å
567	G	70	Confident	85.5	Confident	18 Å²	18	48.5 Å²	48.5	19%	0.186	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-0.8	-178.7	0	0	0	0	0	115.6	N338 V563 L565	N338-G567 WeakPolarHBondContact CB-O 3.38Å; V563-G567 PolarHBondContact O-N 3.25Å; L565-G567 PolarHBondContact O-N 2.87Å
568	R	80.5	Confident	85.7	Confident	125 Å²	125	45.5 Å²	45.5	47%	0.472	22%	0.223	S	C	.	.			trans	-92.4	123.7	-173.4	-172.9	-179.6	-177.2	177.3	7.4	109.6	H408 N564 L565 I570 E574	H408-R568 PolarHBondContact CE1-O 3.26Å; H408-R568 PolarHBondContact NE2-O 3.37Å; N564-R568 WeakPolarHBondContact O-CB 3.23Å; N564-R568 PolarHBondContact O-N 3.49Å; L565-R568 PolarHBondContact O-N 3.03Å; L565-R568 VanDerWaalsContact O-N 3.14Å; R568-I570 HydrophobicContact CG-CG1 4.21Å; R568-E574 IonicContact CZ-OE1 3.52Å; R568-E574 IonicContact NE-OE1 3.78Å; R568-E574 PolarHBondContact NE-OE1 3.43Å; R568-E574 IonicContact NH2-OE1 2.86Å; R568-E574 PolarHBondContact NH2-OE1 2.98Å
569	S	81.6	Confident	85.9	Confident	31 Å²	31	50 Å²	50	22%	0.217	24%	0.24	C	C	.	.			trans	-88.9	137.7	165.6	-52	0	0	0	0	108.4	Q386	Q386-S569 PolarHBondContact OE1-OG 3.36Å
570	I	84.4	Confident	86.2	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.021	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-118.4	135	-171.7	-60.6	175.7	0	0	0	107.7	A402 L407 H408 R568 E574 A575 I578	A402-I570 PolarHBondContact N-O 3.23Å; A402-I570 PolarHBondContact O-N 2.83Å; A402-I570 VanDerWaalsContact O-O 3.13Å; L407-I570 HydrophobicContact CD2-CD1 4.3Å; H408-I570 VanDerWaalsContact CE1-CD1 3.46Å; H408-I570 WeakPolarHBondContact CE1-CD1 3.42Å; R568-I570 HydrophobicContact CG-CG1 4.21Å; I570-E574 HydrophobicContact CG2-CB 3.78Å; I570-E574 HydrophobicContact CG2-CG 3.75Å; I570-A575 HydrophobicContact CG2-CB 3.88Å; I570-I578 HydrophobicContact CD1-CD1 3.86Å; I570-I578 HydrophobicContact CG2-CD1 4.06Å
571	D	86	Confident	86.6	Confident	25 Å²	25	58.6 Å²	58.6	13%	0.134	28%	0.28	C	S	.	.			trans	-80.3	162.7	173.6	87.6	19.8	0	0	0	111.4	K399 L401 Q573 E574 A575	K399-D571 IonicContact NZ-OD2 3.26Å; K399-D571 PolarHBondContact NZ-OD2 2.93Å; L401-D571 HydrophobicContact CD2-CB 3.8Å; D571-Q573 PolarHBondContact O-N 3.26Å; D571-Q573 WeakPolarHBondContact OD1-CA 3.34Å; D571-Q573 WeakPolarHBondContact OD1-CB 3.3Å; D571-Q573 PolarHBondContact OD1-N 3.29Å; D571-E574 PolarHBondContact N-OE2 3.45Å; D571-E574 PolarHBondContact O-N 3.3Å; D571-E574 WeakPolarHBondContact OD1-CB 3.06Å; D571-E574 PolarHBondContact OD1-N 3.39Å; D571-A575 WeakPolarHBondContact O-CB 3.22Å; D571-A575 PolarHBondContact O-N 3.27Å
572	E	85.2	Confident	86.7	Confident	128 Å²	128	56.9 Å²	56.9	60%	0.598	27%	0.272	S	S	*	.	H	α-helix	trans	-61.5	-34.1	-174.6	-162.9	-163.8	155.4	0	0	113.1	A575 R576	E572-A575 PolarHBondContact O-N 3.46Å; E572-R576 VanDerWaalsContact CD-NH1 3.34Å; E572-R576 PolarHBondContact O-N 2.9Å; E572-R576 VanDerWaalsContact O-N 3.08Å; E572-R576 IonicContact OE1-NH1 3.53Å; E572-R576 PolarHBondContact OE1-NH1 3.12Å
573	Q	88.4	Confident	86.9	Confident	83 Å²	83	61.2 Å²	61.2	39%	0.388	29%	0.294	S	S	.	.	H	α-helix	trans	-70.5	-47.9	179.4	175.2	57.9	28.3	0	0	110.5	D571 A575 R576 E577	D571-Q573 PolarHBondContact O-N 3.26Å; D571-Q573 WeakPolarHBondContact OD1-CA 3.34Å; D571-Q573 WeakPolarHBondContact OD1-CB 3.3Å; D571-Q573 PolarHBondContact OD1-N 3.29Å; Q573-A575 VanDerWaalsContact C-N 3.27Å; Q573-A575 PolarHBondContact O-N 2.93Å; Q573-R576 WeakPolarHBondContact O-CB 3.33Å; Q573-R576 PolarHBondContact O-N 3.46Å; Q573-R576 VanDerWaalsContact O-N 3.11Å; Q573-E577 WeakPolarHBondContact CG-OE1 3.3Å; Q573-E577 PolarHBondContact NE2-OE1 3.25Å; Q573-E577 WeakPolarHBondContact O-CG 3.43Å; Q573-E577 PolarHBondContact O-N 3.45Å
574	E	89.6	Confident	87.3	Confident	44 Å²	44	66.8 Å²	66.8	21%	0.206	32%	0.318	C	S	.	.	H	α-helix	trans	-59.4	-39.4	174.3	-173.6	-174.7	-173.2	0	0	111.1	R568 I570 D571 R576 E577 I578	R568-E574 IonicContact CZ-OE1 3.52Å; R568-E574 IonicContact NE-OE1 3.78Å; R568-E574 PolarHBondContact NE-OE1 3.43Å; R568-E574 IonicContact NH2-OE1 2.86Å; R568-E574 PolarHBondContact NH2-OE1 2.98Å; I570-E574 HydrophobicContact CG2-CB 3.78Å; I570-E574 HydrophobicContact CG2-CG 3.75Å; D571-E574 PolarHBondContact N-OE2 3.45Å; D571-E574 PolarHBondContact O-N 3.3Å; D571-E574 WeakPolarHBondContact OD1-CB 3.06Å; D571-E574 PolarHBondContact OD1-N 3.39Å; E574-R576 VanDerWaalsContact C-N 3.33Å; E574-R576 PolarHBondContact O-N 2.91Å; E574-E577 PolarHBondContact O-N 2.96Å; E574-I578 HydrophobicContact CG-CD1 4.01Å; E574-I578 WeakPolarHBondContact O-CB 3.17Å; E574-I578 VanDerWaalsContact O-CG1 3.24Å; E574-I578 WeakPolarHBondContact O-CG1 3.32Å; E574-I578 PolarHBondContact O-N 3Å
575	A	88.1	Confident	87.5	Confident	6 Å²	6	64.9 Å²	64.9	5%	0.05	31%	0.314	C	S	.	.	H	α-helix	trans	-63	-37.9	175.5	0	0	0	0	0	112.3	L407 I570 D571 E572 Q573 R579	L407-A575 HydrophobicContact CD2-CB 4.01Å; I570-A575 HydrophobicContact CG2-CB 3.88Å; D571-A575 WeakPolarHBondContact O-CB 3.22Å; D571-A575 PolarHBondContact O-N 3.27Å; E572-A575 PolarHBondContact O-N 3.46Å; Q573-A575 VanDerWaalsContact C-N 3.27Å; Q573-A575 PolarHBondContact O-N 2.93Å; A575-R579 WeakPolarHBondContact O-CB 3.32Å; A575-R579 VanDerWaalsContact O-CG 3.32Å; A575-R579 WeakPolarHBondContact O-CG 3.44Å; A575-R579 PolarHBondContact O-N 3.44Å; A575-R579 PolarHBondContact O-NE 2.92Å
576	R	89.7	Confident	87.8	Confident	91 Å²	91	67 Å²	67	34%	0.343	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-48.2	172.7	-75.7	-172.2	-71.4	-101.8	3	111.4	E572 Q573 E574 I578 R579 E580	E572-R576 VanDerWaalsContact CD-NH1 3.34Å; E572-R576 PolarHBondContact O-N 2.9Å; E572-R576 VanDerWaalsContact O-N 3.08Å; E572-R576 IonicContact OE1-NH1 3.53Å; E572-R576 PolarHBondContact OE1-NH1 3.12Å; Q573-R576 WeakPolarHBondContact O-CB 3.33Å; Q573-R576 PolarHBondContact O-N 3.46Å; Q573-R576 VanDerWaalsContact O-N 3.11Å; E574-R576 VanDerWaalsContact C-N 3.33Å; E574-R576 PolarHBondContact O-N 2.91Å; R576-I578 VanDerWaalsContact C-N 3.34Å; R576-I578 PolarHBondContact O-N 3.36Å; R576-R579 PolarHBondContact O-N 3.47Å; R576-R579 VanDerWaalsContact O-N 3.15Å; R576-E580 WeakPolarHBondContact O-CG 3.39Å; R576-E580 PolarHBondContact O-N 2.77Å
577	E	93.3	Very high	88.6	Confident	101 Å²	101	71.2 Å²	71.2	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-59.8	-44.1	179.6	-70.1	169.8	-167	0	0	111.8	Q573 E574 R579 E580 E581	Q573-E577 WeakPolarHBondContact CG-OE1 3.3Å; Q573-E577 PolarHBondContact NE2-OE1 3.25Å; Q573-E577 WeakPolarHBondContact O-CG 3.43Å; Q573-E577 PolarHBondContact O-N 3.45Å; E574-E577 PolarHBondContact O-N 2.96Å; E577-R579 PolarHBondContact O-N 3.41Å; E577-E580 PolarHBondContact O-N 2.97Å; E577-E581 WeakPolarHBondContact O-CB 3.35Å; E577-E581 PolarHBondContact O-N 2.87Å
578	I	91.5	Very high	89.8	Confident	32 Å²	32	75.2 Å²	75.2	16%	0.164	36%	0.355	C	S	.	.	H	α-helix	trans	-61.5	-45.1	175.5	-68.2	167.1	0	0	0	110.8	L407 L411 I570 E574 R576 E580 E581 V582	L407-I578 HydrophobicContact CD1-CG2 4.02Å; L407-I578 HydrophobicContact CD2-CG2 4.35Å; L411-I578 HydrophobicContact CD1-CG2 4.08Å; L411-I578 HydrophobicContact CD2-CG2 3.94Å; L411-I578 HydrophobicContact CG-CG2 4.48Å; I570-I578 HydrophobicContact CD1-CD1 3.86Å; I570-I578 HydrophobicContact CG2-CD1 4.06Å; E574-I578 HydrophobicContact CG-CD1 4.01Å; E574-I578 WeakPolarHBondContact O-CB 3.17Å; E574-I578 VanDerWaalsContact O-CG1 3.24Å; E574-I578 WeakPolarHBondContact O-CG1 3.32Å; E574-I578 PolarHBondContact O-N 3Å; R576-I578 VanDerWaalsContact C-N 3.34Å; R576-I578 PolarHBondContact O-N 3.36Å; I578-E580 PolarHBondContact O-N 3.35Å; I578-E581 PolarHBondContact O-N 2.9Å; I578-V582 HydrophobicContact CG2-CG2 4.18Å; I578-V582 WeakPolarHBondContact O-CB 3.39Å; I578-V582 VanDerWaalsContact O-CG2 3.24Å; I578-V582 WeakPolarHBondContact O-CG2 3.34Å; I578-V582 PolarHBondContact O-N 2.91Å
579	R	90.4	Very high	90.2	Very high	100 Å²	100	74 Å²	74	38%	0.377	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-45.9	178.7	-78.2	-174.3	-67.1	-98.7	0.8	111.6	D404 L407 A575 R576 E577 E581 V582 M583	D404-R579 IonicContact OD2-NH1 2.82Å; D404-R579 PolarHBondContact OD2-NH1 3.43Å; L407-R579 HydrophobicContact CD1-CG 4.11Å; A575-R579 WeakPolarHBondContact O-CB 3.32Å; A575-R579 VanDerWaalsContact O-CG 3.32Å; A575-R579 WeakPolarHBondContact O-CG 3.44Å; A575-R579 PolarHBondContact O-N 3.44Å; A575-R579 PolarHBondContact O-NE 2.92Å; R576-R579 PolarHBondContact O-N 3.47Å; R576-R579 VanDerWaalsContact O-N 3.15Å; E577-R579 PolarHBondContact O-N 3.41Å; R579-E581 PolarHBondContact O-N 3.06Å; R579-V582 PolarHBondContact O-N 3.39Å; R579-M583 WeakPolarHBondContact O-CB 3.29Å; R579-M583 VanDerWaalsContact O-CG 3.23Å; R579-M583 WeakPolarHBondContact O-CG 3.39Å; R579-M583 PolarHBondContact O-N 2.97Å
580	E	94.3	Very high	90.8	Very high	118 Å²	118	75.6 Å²	75.6	55%	0.551	37%	0.368	S	S	*	.	H	α-helix	trans	-60.5	-45	178	-72.6	176	-164.4	0	0	111.9	R576 E577 I578 M583 K584	R576-E580 WeakPolarHBondContact O-CG 3.39Å; R576-E580 PolarHBondContact O-N 2.77Å; E577-E580 PolarHBondContact O-N 2.97Å; I578-E580 PolarHBondContact O-N 3.35Å; E580-M583 PolarHBondContact O-N 3.28Å; E580-K584 WeakPolarHBondContact O-CG 3.32Å; E580-K584 PolarHBondContact O-N 3.45Å
581	E	94.4	Very high	91.4	Very high	124 Å²	124	78.4 Å²	78.4	58%	0.579	39%	0.388	S	S	*	.	H	α-helix	trans	-69.2	-39.9	-178.3	-165.4	60	-161.4	0	0	112.3	E577 I578 R579 K584 G585	E577-E581 WeakPolarHBondContact O-CB 3.35Å; E577-E581 PolarHBondContact O-N 2.87Å; I578-E581 PolarHBondContact O-N 2.9Å; R579-E581 PolarHBondContact O-N 3.06Å; E581-K584 PolarHBondContact O-N 3.08Å; E581-K584 IonicContact OE2-NZ 2.85Å; E581-G585 PolarHBondContact O-N 2.89Å
582	V	90.4	Very high	91.8	Very high	32 Å²	32	85.2 Å²	85.2	19%	0.194	41%	0.411	C	S	.	.	H	α-helix	trans	-66.5	-40.5	176.3	177.4	0	0	0	0	111.1	F410 L411 I578 R579 G585 I586	F410-V582 HydrophobicContact CD1-CG1 4.41Å; F410-V582 HydrophobicContact CE1-CB 4.38Å; F410-V582 HydrophobicContact CE1-CG1 3.4Å; F410-V582 VanDerWaalsContact CE1-CG1 3.4Å; F410-V582 HydrophobicContact CZ-CG1 3.96Å; L411-V582 HydrophobicContact CD2-CG2 3.9Å; I578-V582 HydrophobicContact CG2-CG2 4.18Å; I578-V582 WeakPolarHBondContact O-CB 3.39Å; I578-V582 VanDerWaalsContact O-CG2 3.24Å; I578-V582 WeakPolarHBondContact O-CG2 3.34Å; I578-V582 PolarHBondContact O-N 2.91Å; R579-V582 PolarHBondContact O-N 3.39Å; V582-G585 PolarHBondContact O-N 3.26Å; V582-I586 HydrophobicContact CG1-CD1 3.8Å; V582-I586 HydrophobicContact CG1-CG1 4.37Å; V582-I586 WeakPolarHBondContact O-CG1 3.45Å; V582-I586 PolarHBondContact O-N 2.94Å
583	M	91.6	Very high	92.1	Very high	97 Å²	97	82.9 Å²	82.9	48%	0.478	40%	0.402	S	S	.	.	H	α-helix	trans	-62.4	-44.2	176.5	-73	-57.8	-60.7	0	0	111.8	R579 E580 G585 I586 E587	R579-M583 WeakPolarHBondContact O-CB 3.29Å; R579-M583 VanDerWaalsContact O-CG 3.23Å; R579-M583 WeakPolarHBondContact O-CG 3.39Å; R579-M583 PolarHBondContact O-N 2.97Å; E580-M583 PolarHBondContact O-N 3.28Å; M583-G585 VanDerWaalsContact C-N 3.32Å; M583-G585 PolarHBondContact O-N 2.92Å; M583-I586 PolarHBondContact O-N 3.26Å; M583-E587 WeakPolarHBondContact O-CG 3.37Å; M583-E587 PolarHBondContact O-N 3.35Å
584	K	94.6	Very high	92.4	Very high	120 Å²	120	81.4 Å²	81.4	52%	0.522	40%	0.404	S	S	.	.	H	α-helix	trans	-56.4	-45.6	172.9	-76.5	174.9	-175.4	164.6	0	112.1	E580 E581 I586 E587 E588	E580-K584 WeakPolarHBondContact O-CG 3.32Å; E580-K584 PolarHBondContact O-N 3.45Å; E581-K584 PolarHBondContact O-N 3.08Å; E581-K584 IonicContact OE2-NZ 2.85Å; K584-I586 VanDerWaalsContact C-N 3.34Å; K584-I586 PolarHBondContact O-N 3.03Å; K584-E587 PolarHBondContact O-N 3.44Å; K584-E588 PolarHBondContact O-N 3.11Å
585	G	92.2	Very high	92.7	Very high	29 Å²	29	84.1 Å²	84.1	30%	0.299	42%	0.42	S	S	.	.	H	α-helix	trans	-61	-40.9	177.4	0	0	0	0	0	113.1	E581 V582 M583 E588 I589	E581-G585 PolarHBondContact O-N 2.89Å; V582-G585 PolarHBondContact O-N 3.26Å; M583-G585 VanDerWaalsContact C-N 3.32Å; M583-G585 PolarHBondContact O-N 2.92Å; G585-E588 PolarHBondContact O-N 3.35Å; G585-I589 VanDerWaalsContact O-CG1 3.3Å; G585-I589 WeakPolarHBondContact O-CG1 3.42Å; G585-I589 PolarHBondContact O-N 3.16Å; G585-I589 VanDerWaalsContact O-N 3.09Å
586	I	89.8	Confident	93	Very high	63 Å²	63	88.6 Å²	88.6	32%	0.323	44%	0.443	S	S	.	.	H	α-helix	trans	-66.7	-43.3	177.8	-70.4	167.3	0	0	0	111.4	F410 V582 M583 K584 E588 I589 S590	F410-I586 HydrophobicContact CE1-CD1 4.48Å; F410-I586 HydrophobicContact CZ-CD1 3.72Å; V582-I586 HydrophobicContact CG1-CD1 3.8Å; V582-I586 HydrophobicContact CG1-CG1 4.37Å; V582-I586 WeakPolarHBondContact O-CG1 3.45Å; V582-I586 PolarHBondContact O-N 2.94Å; M583-I586 PolarHBondContact O-N 3.26Å; K584-I586 VanDerWaalsContact C-N 3.34Å; K584-I586 PolarHBondContact O-N 3.03Å; I586-E588 VanDerWaalsContact C-N 3.34Å; I586-I589 PolarHBondContact O-N 3.07Å; I586-S590 VanDerWaalsContact O-CB 3.29Å; I586-S590 WeakPolarHBondContact O-CB 3.44Å; I586-S590 PolarHBondContact O-N 3.12Å; I586-S590 PolarHBondContact O-OG 3.4Å
587	E	94.1	Very high	93.3	Very high	124 Å²	124	88.6 Å²	88.6	58%	0.579	45%	0.448	S	S	*	.	H	α-helix	trans	-61.8	-42.5	177	-73.7	174.5	-175.1	0	0	111.5	M583 K584 S590 S591	M583-E587 WeakPolarHBondContact O-CG 3.37Å; M583-E587 PolarHBondContact O-N 3.35Å; K584-E587 PolarHBondContact O-N 3.44Å; E587-S590 PolarHBondContact O-N 3.09Å; E587-S591 WeakPolarHBondContact O-CB 3.26Å; E587-S591 PolarHBondContact O-N 3.42Å
588	E	94.8	Very high	93.3	Very high	103 Å²	103	86.5 Å²	86.5	48%	0.481	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-48.2	177.1	-170.4	-174.3	169.6	0	0	111.9	K584 G585 I586 S590 S591 R592	K584-E588 PolarHBondContact O-N 3.11Å; G585-E588 PolarHBondContact O-N 3.35Å; I586-E588 VanDerWaalsContact C-N 3.34Å; E588-S590 VanDerWaalsContact C-N 3.34Å; E588-S590 PolarHBondContact O-N 3.26Å; E588-S591 PolarHBondContact O-N 3.28Å; E588-R592 WeakPolarHBondContact O-CG 3.43Å; E588-R592 PolarHBondContact O-N 3.26Å; E588-R592 IonicContact OE1-CZ 3.39Å; E588-R592 IonicContact OE1-NE 2.76Å; E588-R592 PolarHBondContact OE1-NE 2.97Å; E588-R592 VanDerWaalsContact OE1-NE 3.17Å; E588-R592 IonicContact OE1-NH2 3.24Å; E588-R592 PolarHBondContact OE1-NH2 3.34Å
589	I	90.9	Very high	93.5	Very high	98 Å²	98	91.4 Å²	91.4	50%	0.503	46%	0.462	S	S	.	.	H	α-helix	trans	-60.9	-45.9	177.9	-68.4	167.3	0	0	0	110.4	G585 I586 S591 R592 I593	G585-I589 VanDerWaalsContact O-CG1 3.3Å; G585-I589 WeakPolarHBondContact O-CG1 3.42Å; G585-I589 PolarHBondContact O-N 3.16Å; G585-I589 VanDerWaalsContact O-N 3.09Å; I586-I589 PolarHBondContact O-N 3.07Å; I589-S591 VanDerWaalsContact C-N 3.34Å; I589-S591 PolarHBondContact O-N 2.93Å; I589-R592 PolarHBondContact O-N 3.43Å; I589-I593 HydrophobicContact CG2-CD1 3.82Å; I589-I593 HydrophobicContact CG2-CG1 4.48Å; I589-I593 WeakPolarHBondContact O-CG1 3.48Å; I589-I593 PolarHBondContact O-N 2.9Å
590	S	93.4	Very high	93.6	Very high	66 Å²	66	89.8 Å²	89.8	46%	0.462	46%	0.46	S	S	.	.	H	α-helix	trans	-61.3	-42.9	179.9	-60.5	0	0	0	0	111.7	I586 E587 E588 I593 A594	I586-S590 VanDerWaalsContact O-CB 3.29Å; I586-S590 WeakPolarHBondContact O-CB 3.44Å; I586-S590 PolarHBondContact O-N 3.12Å; I586-S590 PolarHBondContact O-OG 3.4Å; E587-S590 PolarHBondContact O-N 3.09Å; E588-S590 VanDerWaalsContact C-N 3.34Å; E588-S590 PolarHBondContact O-N 3.26Å; S590-I593 PolarHBondContact O-N 3.22Å; S590-A594 WeakPolarHBondContact O-CB 3.44Å; S590-A594 PolarHBondContact O-N 2.95Å
591	S	96.2	Very high	93.5	Very high	63 Å²	63	92.3 Å²	92.3	44%	0.441	47%	0.465	S	S	.	.	H	α-helix	trans	-61.3	-45.5	175	179	0	0	0	0	112.1	E587 E588 I589 I593 A594 N595	E587-S591 WeakPolarHBondContact O-CB 3.26Å; E587-S591 PolarHBondContact O-N 3.42Å; E588-S591 PolarHBondContact O-N 3.28Å; I589-S591 VanDerWaalsContact C-N 3.34Å; I589-S591 PolarHBondContact O-N 2.93Å; S591-I593 VanDerWaalsContact C-N 3.35Å; S591-I593 PolarHBondContact O-N 3.35Å; S591-A594 PolarHBondContact O-N 2.95Å; S591-N595 WeakPolarHBondContact O-CB 3.5Å; S591-N595 VanDerWaalsContact O-CG 3.29Å; S591-N595 PolarHBondContact O-N 3.39Å; S591-N595 PolarHBondContact O-ND2 3.14Å
592	R	94.5	Very high	93.5	Very high	167 Å²	167	94.8 Å²	94.8	63%	0.63	47%	0.469	S	S	*	.	H	α-helix	trans	-61.6	-41.2	177	-71.5	178.7	-178.3	-148.1	2.8	112.2	E588 I589 L596	E588-R592 WeakPolarHBondContact O-CG 3.43Å; E588-R592 PolarHBondContact O-N 3.26Å; E588-R592 IonicContact OE1-CZ 3.39Å; E588-R592 IonicContact OE1-NE 2.76Å; E588-R592 PolarHBondContact OE1-NE 2.97Å; E588-R592 VanDerWaalsContact OE1-NE 3.17Å; E588-R592 IonicContact OE1-NH2 3.24Å; E588-R592 PolarHBondContact OE1-NH2 3.34Å; I589-R592 PolarHBondContact O-N 3.43Å; R592-L596 PolarHBondContact O-N 3.36Å
593	I	92.5	Very high	93.5	Very high	80 Å²	80	96 Å²	96	41%	0.41	48%	0.477	S	S	.	.	H	α-helix	trans	-65.1	-45.9	176	-67.8	169.4	0	0	0	110.6	I589 S590 S591 N595 L596 M597	I589-I593 HydrophobicContact CG2-CD1 3.82Å; I589-I593 HydrophobicContact CG2-CG1 4.48Å; I589-I593 WeakPolarHBondContact O-CG1 3.48Å; I589-I593 PolarHBondContact O-N 2.9Å; S590-I593 PolarHBondContact O-N 3.22Å; S591-I593 VanDerWaalsContact C-N 3.35Å; S591-I593 PolarHBondContact O-N 3.35Å; I593-N595 VanDerWaalsContact C-N 3.32Å; I593-N595 PolarHBondContact O-N 3.22Å; I593-L596 PolarHBondContact O-N 2.89Å; I593-M597 HydrophobicContact CG2-CG 4.3Å; I593-M597 WeakPolarHBondContact O-CG 3.3Å; I593-M597 PolarHBondContact O-N 3.27Å
594	A	94.8	Very high	93.5	Very high	51 Å²	51	96 Å²	96	42%	0.421	48%	0.478	S	S	.	.	H	α-helix	trans	-59.9	-41.8	178.5	0	0	0	0	0	112.2	S590 S591 M597 T598	S590-A594 WeakPolarHBondContact O-CB 3.44Å; S590-A594 PolarHBondContact O-N 2.95Å; S591-A594 PolarHBondContact O-N 2.95Å; A594-M597 PolarHBondContact O-N 3.37Å; A594-T598 WeakPolarHBondContact O-CB 3.43Å; A594-T598 PolarHBondContact O-N 2.82Å; A594-T598 PolarHBondContact O-OG1 2.98Å
595	N	96	Very high	93.3	Very high	102 Å²	102	95.2 Å²	95.2	55%	0.545	48%	0.479	S	S	.	.	H	α-helix	trans	-63.5	-44	175.7	-72.2	-29.3	0	0	0	112.1	S591 I593 T598 F599	S591-N595 WeakPolarHBondContact O-CB 3.5Å; S591-N595 VanDerWaalsContact O-CG 3.29Å; S591-N595 PolarHBondContact O-N 3.39Å; S591-N595 PolarHBondContact O-ND2 3.14Å; I593-N595 VanDerWaalsContact C-N 3.32Å; I593-N595 PolarHBondContact O-N 3.22Å; N595-T598 PolarHBondContact O-N 3.06Å; N595-F599 PolarHBondContact O-N 2.97Å
596	L	93.6	Very high	92.9	Very high	99 Å²	99	97.4 Å²	97.4	52%	0.518	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-45.2	175.4	178	61.7	0	0	0	111.7	R592 I593 T598 F599 I600	R592-L596 PolarHBondContact O-N 3.36Å; I593-L596 PolarHBondContact O-N 2.89Å; L596-T598 VanDerWaalsContact C-N 3.31Å; L596-T598 PolarHBondContact O-N 3.03Å; L596-F599 WeakPolarHBondContact O-CB 3.39Å; L596-F599 PolarHBondContact O-N 3.25Å; L596-I600 HydrophobicContact CD1-CD1 4.12Å; L596-I600 HydrophobicContact CD1-CG1 4.36Å; L596-I600 HydrophobicContact CG-CD1 3.97Å; L596-I600 WeakPolarHBondContact O-CG1 3.33Å; L596-I600 PolarHBondContact O-N 3.47Å
597	M	95	Very high	92.3	Very high	92 Å²	92	99.4 Å²	99.4	45%	0.453	51%	0.505	S	S	.	.	H	α-helix	trans	-63.3	-38.5	178.2	-70.5	-56.9	-64.4	0	0	112.1	I593 A594 I600 R601	I593-M597 HydrophobicContact CG2-CG 4.3Å; I593-M597 WeakPolarHBondContact O-CG 3.3Å; I593-M597 PolarHBondContact O-N 3.27Å; A594-M597 PolarHBondContact O-N 3.37Å; M597-I600 PolarHBondContact O-N 2.8Å; M597-I600 HydrophobicContact SD-CD1 4.46Å; M597-R601 WeakPolarHBondContact O-CG 3.34Å; M597-R601 PolarHBondContact O-N 2.93Å
598	T	94.9	Very high	91.2	Very high	56 Å²	56	97.6 Å²	97.6	34%	0.344	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-43.4	175.2	-58.7	0	0	0	0	111.3	A594 N595 L596 R601 R602	A594-T598 WeakPolarHBondContact O-CB 3.43Å; A594-T598 PolarHBondContact O-N 2.82Å; A594-T598 PolarHBondContact O-OG1 2.98Å; N595-T598 PolarHBondContact O-N 3.06Å; L596-T598 VanDerWaalsContact C-N 3.31Å; L596-T598 PolarHBondContact O-N 3.03Å; T598-R601 PolarHBondContact O-N 2.96Å; T598-R602 WeakPolarHBondContact O-CG 3.49Å; T598-R602 PolarHBondContact O-N 3.45Å
599	F	94.1	Very high	89.2	Confident	135 Å²	135	102.6 Å²	102.6	59%	0.592	54%	0.54	S	S	*	.	H	α-helix	trans	-61.3	-44.9	175	173.6	-96.4	0	0	0	112.2	N595 L596 R602 T603	N595-F599 PolarHBondContact O-N 2.97Å; L596-F599 WeakPolarHBondContact O-CB 3.39Å; L596-F599 PolarHBondContact O-N 3.25Å; F599-R602 PolarHBondContact O-N 3.4Å; F599-T603 WeakPolarHBondContact O-CB 3.4Å; F599-T603 PolarHBondContact O-N 3.43Å; F599-T603 PolarHBondContact O-OG1 2.98Å
600	I	93.1	Very high	89.2	Confident	67 Å²	67	102.8 Å²	102.8	34%	0.344	54%	0.542	S	S	.	.	H	α-helix	trans	-61.6	-46.7	178.3	-69.3	167.6	0	0	0	110.8	L596 M597 T603 I604	L596-I600 HydrophobicContact CD1-CD1 4.12Å; L596-I600 HydrophobicContact CD1-CG1 4.36Å; L596-I600 HydrophobicContact CG-CD1 3.97Å; L596-I600 WeakPolarHBondContact O-CG1 3.33Å; L596-I600 PolarHBondContact O-N 3.47Å; M597-I600 PolarHBondContact O-N 2.8Å; M597-I600 HydrophobicContact SD-CD1 4.46Å; I600-T603 PolarHBondContact O-N 3.24Å; I600-I604 HydrophobicContact CG2-CD1 3.7Å; I600-I604 HydrophobicContact CG2-CG1 4.44Å; I600-I604 WeakPolarHBondContact O-CG1 3.38Å; I600-I604 PolarHBondContact O-N 3.06Å
601	R	93.5	Very high	88.9	Confident	170 Å²	170	104.7 Å²	104.7	64%	0.642	55%	0.546	S	S	*	.	H	α-helix	trans	-57.2	-51.9	177.1	-76.2	179.6	-178.2	-135.9	2.7	111.7	M597 T598 T603 I604 D605	M597-R601 WeakPolarHBondContact O-CG 3.34Å; M597-R601 PolarHBondContact O-N 2.93Å; T598-R601 PolarHBondContact O-N 2.96Å; R601-T603 VanDerWaalsContact C-N 3.26Å; R601-T603 PolarHBondContact O-N 3.27Å; R601-I604 PolarHBondContact O-N 2.91Å; R601-I604 VanDerWaalsContact O-N 3.16Å; R601-D605 WeakPolarHBondContact O-CB 3.26Å; R601-D605 PolarHBondContact O-N 3.37Å
602	R	92.8	Very high	88.5	Confident	176 Å²	176	107.1 Å²	107.1	66%	0.664	55%	0.552	S	S	*	*	H	α-helix	trans	-57	-40.3	177.5	-71.7	178.4	-173.1	161.5	3.3	112.6	T598 F599 S606	T598-R602 WeakPolarHBondContact O-CG 3.49Å; T598-R602 PolarHBondContact O-N 3.45Å; F599-R602 PolarHBondContact O-N 3.4Å; R602-S606 VanDerWaalsContact O-CB 3.26Å; R602-S606 WeakPolarHBondContact O-CB 3.49Å; R602-S606 PolarHBondContact O-N 3.17Å; R602-S606 PolarHBondContact O-OG 3.38Å
603	T	92.1	Very high	88.2	Confident	58 Å²	58	103.5 Å²	103.5	36%	0.356	55%	0.547	S	S	.	.	H	α-helix	trans	-66.1	-45.7	179.3	-54.1	0	0	0	0	110.8	F599 I600 R601 S606 T607	F599-T603 WeakPolarHBondContact O-CB 3.4Å; F599-T603 PolarHBondContact O-N 3.43Å; F599-T603 PolarHBondContact O-OG1 2.98Å; I600-T603 PolarHBondContact O-N 3.24Å; R601-T603 VanDerWaalsContact C-N 3.26Å; R601-T603 PolarHBondContact O-N 3.27Å; T603-S606 WeakPolarHBondContact CA-OG 3.46Å; T603-S606 PolarHBondContact O-N 2.89Å; T603-S606 PolarHBondContact O-OG 3.23Å; T603-T607 WeakPolarHBondContact O-CG2 3.47Å; T603-T607 PolarHBondContact O-N 2.76Å; T603-T607 VanDerWaalsContact O-N 3.16Å; T603-T607 PolarHBondContact O-OG1 3.06Å
604	I	90.5	Very high	87.9	Confident	98 Å²	98	105 Å²	105	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-61.9	-48.7	177.3	-67.6	165.2	0	0	0	110.5	I600 R601 S606 T607 A608	I600-I604 HydrophobicContact CG2-CD1 3.7Å; I600-I604 HydrophobicContact CG2-CG1 4.44Å; I600-I604 WeakPolarHBondContact O-CG1 3.38Å; I600-I604 PolarHBondContact O-N 3.06Å; R601-I604 PolarHBondContact O-N 2.91Å; R601-I604 VanDerWaalsContact O-N 3.16Å; I604-S606 VanDerWaalsContact C-N 3.29Å; I604-S606 PolarHBondContact O-N 3.16Å; I604-T607 PolarHBondContact O-N 3.16Å; I604-T607 PolarHBondContact O-OG1 2.75Å; I604-A608 PolarHBondContact O-N 3.27Å; I604-A608 VanDerWaalsContact O-N 3.12Å
605	D	89.7	Confident	87.5	Confident	103 Å²	103	108.6 Å²	108.6	55%	0.551	57%	0.565	S	S	*	*	H	α-helix	trans	-61.9	-38.6	-179.7	-63.2	-22.4	0	0	0	111.3	R601 T607 A608	R601-D605 WeakPolarHBondContact O-CB 3.26Å; R601-D605 PolarHBondContact O-N 3.37Å; D605-T607 VanDerWaalsContact C-N 3.27Å; D605-T607 PolarHBondContact O-N 3.36Å; D605-A608 PolarHBondContact O-N 3.12Å
606	S	85.6	Confident	86.8	Confident	74 Å²	74	109.1 Å²	109.1	52%	0.517	57%	0.566	S	S	.	*	H	α-helix	trans	-68.9	-21.2	176.1	70.2	0	0	0	0	114.5	R602 T603 I604	R602-S606 VanDerWaalsContact O-CB 3.26Å; R602-S606 WeakPolarHBondContact O-CB 3.49Å; R602-S606 PolarHBondContact O-N 3.17Å; R602-S606 PolarHBondContact O-OG 3.38Å; T603-S606 WeakPolarHBondContact CA-OG 3.46Å; T603-S606 PolarHBondContact O-N 2.89Å; T603-S606 PolarHBondContact O-OG 3.23Å; I604-S606 VanDerWaalsContact C-N 3.29Å; I604-S606 PolarHBondContact O-N 3.16Å
607	T	77	Confident	86.3	Confident	105 Å²	105	109.8 Å²	109.8	64%	0.644	57%	0.57	S	S	*	*	H	α-helix	trans	-92.8	-11.3	175.5	53.8	0	0	0	0	113.6	T603 I604 D605	T603-T607 WeakPolarHBondContact O-CG2 3.47Å; T603-T607 PolarHBondContact O-N 2.76Å; T603-T607 VanDerWaalsContact O-N 3.16Å; T603-T607 PolarHBondContact O-OG1 3.06Å; I604-T607 PolarHBondContact O-N 3.16Å; I604-T607 PolarHBondContact O-OG1 2.75Å; D605-T607 VanDerWaalsContact C-N 3.27Å; D605-T607 PolarHBondContact O-N 3.36Å
608	A	70.6	Confident	85.6	Confident	87 Å²	87	111.3 Å²	111.3	72%	0.719	58%	0.58	S	S	*	*	H	α-helix	trans	-86.3	-19.6	175.6	0	0	0	0	0	112.7	I604 D605	I604-A608 PolarHBondContact O-N 3.27Å; I604-A608 VanDerWaalsContact O-N 3.12Å; D605-A608 PolarHBondContact O-N 3.12Å
609	L	53.6	Low	84.8	Confident	207 Å²	207	116.4 Å²	116.4	100%	1.084	60%	0.601	S	S	*	*			trans	-86.5	0	166.9	-64.7	170.5	0	0	0	109.9

Retrieved 609 of 609 residues in 175.1 ms (Link to these results)

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