A0A087X9Y6_POEFO Loading...

Adenosine deaminase RNA specific B1a

AlphaFold DB , UniProt , Accession A0A087X9Y6, Species POEFO (Poecilia formosa, Amazon molly), Gene ADARB1, Length 703 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.4	Very low	29.1	Very low	220 Å²	220	146.3 Å²	146.3	100%	1.084	82%	0.818	S	S	*	*				0	93.3	0	-59.4	164.8	-172.3	0	0	105.7
2	E	31.5	Very low	29.1	Very low	168 Å²	168	146.9 Å²	146.9	79%	0.785	82%	0.818	S	S	*	*				77.5	128.3	66.6	-68.7	168.3	130.4	0	0	111.1
3	T	31.1	Very low	29	Very low	110 Å²	110	146.2 Å²	146.2	68%	0.675	82%	0.82	S	S	*	*			cis	-157.8	175.6	-6.6	-6.9	0	0	0	0	111.2
4	Q	32	Very low	29.1	Very low	175 Å²	175	149.1 Å²	149.1	82%	0.818	82%	0.819	S	S	*	*			trans	-0.4	151.3	142.4	-67.2	169.9	19.6	0	0	119.2
5	S	29.5	Very low	29	Very low	94 Å²	94	150.9 Å²	150.9	66%	0.657	82%	0.819	S	S	*	*			cis	-175.8	167.9	-6.3	55.8	0	0	0	0	112.1
6	R	28.1	Very low	29	Very low	238 Å²	238	150.6 Å²	150.6	90%	0.898	82%	0.817	S	S	*	*			trans	34.1	124.8	148.9	-70.3	175.9	169.4	170.7	-4.3	120.1
7	S	26.7	Very low	28.9	Very low	123 Å²	123	150.5 Å²	150.5	86%	0.86	81%	0.81	S	S	*	*				-162.9	168.2	108.8	-155.6	0	0	0	0	112.9
8	S	27.8	Very low	28.8	Very low	111 Å²	111	151.5 Å²	151.5	78%	0.776	81%	0.814	S	S	*	*			trans	-89.9	157.3	-172	51.2	0	0	0	0	115.2
9	C	26.8	Very low	28.9	Very low	135 Å²	135	149.4 Å²	149.4	91%	0.912	80%	0.802	S	S	*	*			trans	-129.2	158.5	151.7	-163.8	0	0	0	0	109.4
10	S	26.1	Very low	28.8	Very low	103 Å²	103	148.5 Å²	148.5	72%	0.72	80%	0.797	S	S	*	*			trans	-127	158	-171	-173	0	0	0	0	111.2
11	T	30.2	Very low	28.7	Very low	132 Å²	132	147 Å²	147	81%	0.81	79%	0.789	S	S	*	*			trans	-137.5	137.1	164.3	43.8	0	0	0	0	110.6
12	D	29	Very low	28.7	Very low	154 Å²	154	142.2 Å²	142.2	82%	0.824	77%	0.768	S	S	*	*			trans	-69.3	148.6	-154.1	-53.1	-81.2	0	0	0	117.6
13	V	28.5	Very low	28.4	Very low	138 Å²	138	142.8 Å²	142.8	84%	0.836	77%	0.768	S	S	*	*			trans	-97.4	131.5	149.9	173.9	0	0	0	0	107.6
14	K	29.2	Very low	28.2	Very low	186 Å²	186	141.9 Å²	141.9	81%	0.809	77%	0.766	S	S	*	*			trans	-108.6	86.4	-174.3	-164.4	170.9	-171.4	170.6	0	112
15	E	28.6	Very low	28	Very low	176 Å²	176	141.7 Å²	141.7	82%	0.822	76%	0.762	S	S	*	*			trans	-72.7	155.7	161.1	-67.4	-167.2	127.3	0	0	110.5
16	N	27.9	Very low	27.8	Very low	147 Å²	147	145.2 Å²	145.2	79%	0.786	77%	0.768	S	S	*	*			trans	-132	125.2	170.3	-112.9	-5.2	0	0	0	109.5
17	H	28.5	Very low	27.7	Very low	149 Å²	149	137.4 Å²	137.4	69%	0.69	76%	0.762	S	S	*	*			trans	-57.4	162.7	-170.6	-63.4	-98.3	0	0	0	115.4
18	N	27	Very low	27.6	Very low	168 Å²	168	138.7 Å²	138.7	90%	0.898	76%	0.764	S	S	*	*				-130.1	135.8	117.6	-115.7	-26.5	0	0	0	110.4
19	L	30	Very low	27.4	Very low	111 Å²	111	137.7 Å²	137.7	58%	0.581	76%	0.763	S	S	*	*			trans	-89.4	178.5	168.9	-63.5	160.7	0	0	0	107.3
20	D	26.3	Very low	27.3	Very low	131 Å²	131	136.3 Å²	136.3	70%	0.701	76%	0.755	S	S	*	*			cis	-144.1	142.1	21.5	-95.8	-67.1	0	0	0	108.1
21	N	28.1	Very low	27.3	Very low	118 Å²	118	138.3 Å²	138.3	63%	0.631	76%	0.763	S	S	*	*				65	146	80.3	-68.1	-34.7	0	0	0	114.2
22	L	29.2	Very low	27	Very low	120 Å²	120	136.3 Å²	136.3	63%	0.628	76%	0.759	S	S	*	*			cis	-156.7	142.2	8.8	-154.3	81.9	0	0	0	112
23	F	26.9	Very low	26.9	Very low	180 Å²	180	134.9 Å²	134.9	79%	0.789	76%	0.756	S	S	*	*			trans	62.1	162.8	143.8	-82.7	-160.5	0	0	0	120.7
24	S	26.6	Very low	26.7	Very low	91 Å²	91	136.2 Å²	136.2	64%	0.636	75%	0.753	S	S	*	*			cis	-163.2	169.2	-13.7	-116.9	0	0	0	0	113.8
25	K	27.6	Very low	26.5	Very low	171 Å²	171	134.4 Å²	134.4	74%	0.743	75%	0.751	S	S	*	*			trans	73.8	121.2	153.1	-79.8	-165.8	166.6	-160.7	0	123.6
26	E	24.5	Very low	26.3	Very low	167 Å²	167	133.9 Å²	133.9	78%	0.78	75%	0.753	S	S	*	*				35.7	127.2	119.3	-55.9	174.7	122.6	0	0	121.1
27	G	25.7	Very low	26.1	Very low	75 Å²	75	132.6 Å²	132.6	77%	0.773	76%	0.756	S	S	*	*			trans	-176.5	150.1	166	0	0	0	0	0	112.7
28	V	24.3	Very low	25.9	Very low	149 Å²	149	129.3 Å²	129.3	90%	0.903	76%	0.762	S	S	*	*			trans	-139.6	142.1	-168.6	171.7	0	0	0	0	113.1
29	A	24.3	Very low	25.9	Very low	90 Å²	90	132.6 Å²	132.6	74%	0.744	76%	0.762	S	S	*	*			trans	79.3	166.8	158.8	0	0	0	0	0	122.7
30	S	24.5	Very low	25.7	Very low	107 Å²	107	133.8 Å²	133.8	75%	0.748	77%	0.774	S	S	*	*			trans	63.9	97.1	163.2	53.5	0	0	0	0	121.9
31	V	26.1	Very low	25.8	Very low	145 Å²	145	131.4 Å²	131.4	88%	0.879	78%	0.781	S	S	*	*				28.3	144.3	106.7	-172.3	0	0	0	0	119.8
32	A	24.9	Very low	25.8	Very low	90 Å²	90	137.9 Å²	137.9	74%	0.744	80%	0.796	S	S	*	*			trans	84.7	157.6	169.2	0	0	0	0	0	116.9
33	V	26	Very low	25.8	Very low	123 Å²	123	136.5 Å²	136.5	75%	0.745	80%	0.802	S	S	*	*				178.8	148.2	-50.7	141.1	0	0	0	0	107.4
34	Q	24.5	Very low	26	Very low	166 Å²	166	139.4 Å²	139.4	78%	0.776	81%	0.808	S	S	*	*			trans	76.9	111.9	168.4	-79.5	165	-5.1	0	0	122.2
35	L	24	Very low	26.1	Very low	149 Å²	149	144.8 Å²	144.8	78%	0.78	82%	0.82	S	S	*	*				55.6	116.5	124	-58	172	0	0	0	122.3
36	L	25.4	Very low	26.4	Very low	165 Å²	165	148.4 Å²	148.4	86%	0.864	83%	0.829	S	S	*	*				-177.8	157.3	98.9	-97.6	169.3	0	0	0	115.8
37	S	23.3	Very low	26.8	Very low	119 Å²	119	146.3 Å²	146.3	83%	0.832	83%	0.83	S	S	*	*			trans	-14.5	138.6	175.3	-64.7	0	0	0	0	123.3
38	G	25	Very low	27	Very low	81 Å²	81	151 Å²	151	84%	0.835	84%	0.836	S	S	*	*			trans	-164.3	62.4	172.3	0	0	0	0	0	116.5
39	R	26.8	Very low	27.4	Very low	237 Å²	237	148.7 Å²	148.7	89%	0.894	83%	0.833	S	S	*	*			trans	-50.7	126.5	-177.2	-160.9	179.3	171.6	-170.5	-2.4	113.9
40	T	26.2	Very low	27.7	Very low	136 Å²	136	154.2 Å²	154.2	83%	0.834	84%	0.843	S	S	*	*				177.3	151.4	94.2	35.5	0	0	0	0	111.7
41	G	27.7	Very low	27.8	Very low	81 Å²	81	153.1 Å²	153.1	84%	0.835	85%	0.849	S	S	*	*			trans	158.8	109	170.1	0	0	0	0	0	115.8
42	R	29.2	Very low	27.9	Very low	254 Å²	254	153.1 Å²	153.1	96%	0.958	84%	0.844	S	S	*	*			trans	-82.7	158.4	168.1	-70.4	171.8	173.1	175.8	-2.5	109.2
43	A	29.1	Very low	28.1	Very low	91 Å²	91	155.8 Å²	155.8	75%	0.752	85%	0.846	S	S	*	*			cis	-172	-176.6	-21.4	0	0	0	0	0	105.6
44	R	30.8	Very low	28.1	Very low	240 Å²	240	153.4 Å²	153.4	91%	0.906	85%	0.846	S	S	*	*			cis	-159.2	155.4	2.2	-147.6	170.7	-173.5	169.9	0.9	106.9
45	K	29.1	Very low	28.2	Very low	204 Å²	204	157.5 Å²	157.5	89%	0.887	86%	0.855	S	S	*	*			trans	-120.4	159.3	168.3	-72.5	-178.1	178.1	177.6	0	110.6
46	R	32.5	Very low	28.5	Very low	248 Å²	248	156.9 Å²	156.9	94%	0.936	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-104	135.9	167.3	-67.5	-174	-176.8	-178.8	1.2	109.3
47	P	33.3	Very low	28.9	Very low	123 Å²	123	155 Å²	155	80%	0.799	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-96.5	166	-175.2	38.4	-36.3	0	0	0	113.8
48	L	30.8	Very low	29.1	Very low	172 Å²	172	154.2 Å²	154.2	90%	0.901	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-84.4	165.3	155.7	-75.9	80.3	0	0	0	109.7
49	A	31.2	Very low	29.3	Very low	102 Å²	102	159.9 Å²	159.9	84%	0.843	85%	0.85	S	S	*	*			trans	-145.6	142.4	164.5	0	0	0	0	0	110.3
50	E	30.4	Very low	29.3	Very low	205 Å²	205	158.6 Å²	158.6	96%	0.958	85%	0.846	S	S	*	*			trans	-116.5	151.8	168.6	-66.4	-176.9	119.9	0	0	109.1
51	G	28	Very low	29.4	Very low	84 Å²	84	163.7 Å²	163.7	87%	0.866	85%	0.85	S	S	*	*			trans	175	136.4	179.7	0	0	0	0	0	111.4
52	N	28.3	Very low	29.7	Very low	146 Å²	146	165.5 Å²	165.5	78%	0.781	85%	0.847	S	S	*	*			trans	-111.4	166.4	-163.4	-166.4	15.9	0	0	0	113.9
53	N	28.7	Very low	29.8	Very low	146 Å²	146	162.5 Å²	162.5	78%	0.781	84%	0.841	S	S	*	*			trans	100.5	132.1	160.9	-54.8	-34.6	0	0	0	118.8
54	G	26.1	Very low	30	Very low	73 Å²	73	170.1 Å²	170.1	75%	0.753	85%	0.851	S	S	*	*			trans	121.2	75.8	134.8	0	0	0	0	0	121.1
55	R	27.4	Very low	30.2	Very low	252 Å²	252	170 Å²	170	95%	0.951	85%	0.85	S	S	*	*			trans	58.7	149.9	150.1	-64.6	-172.2	176.9	-157.4	-1	121.2
56	T	28.9	Very low	30.6	Very low	135 Å²	135	170 Å²	170	83%	0.828	85%	0.85	S	S	*	*			trans	-76.5	155	174.6	31.2	0	0	0	0	112.3
57	P	34.6	Very low	30.4	Very low	125 Å²	125	168 Å²	168	81%	0.812	85%	0.849	S	S	*	*				-143.5	164	68.2	38.5	-19.1	0	0	0	119.4
58	C	27.1	Very low	30.4	Very low	104 Å²	104	168 Å²	168	70%	0.703	85%	0.846	S	S	*	*			trans	-29.3	134	174.4	-173.5	0	0	0	0	118.4
59	K	28.9	Very low	30.8	Very low	199 Å²	199	165.3 Å²	165.3	87%	0.865	84%	0.841	S	S	*	*			trans	-131.8	139.3	144.4	-72	-166.6	176.6	-178.9	0	110.6
60	Y	27.6	Very low	30.9	Very low	210 Å²	210	163.3 Å²	163.3	82%	0.824	83%	0.831	S	S	*	*			trans	-61.2	140	-174.9	-92.7	-128.9	0	0	0	113
61	W	28.2	Very low	31.6	Very low	243 Å²	243	159.6 Å²	159.6	92%	0.92	82%	0.824	S	S	*	*			trans	-110.4	140.4	155.5	-88.9	43.6	0	0	0	109.4
62	P	33.4	Very low	32.6	Very low	119 Å²	119	163.4 Å²	163.4	77%	0.773	82%	0.823	S	S	*	*			trans	-70.8	137.2	-166.8	26.1	-34.3	0	0	0	113.3	R64	P62-R64 PolarHBondContact O-N 3.2Å; P62-R64 VanDerWaalsContact O-N 3.14Å
63	K	31.5	Very low	33.5	Very low	192 Å²	192	162.2 Å²	162.2	84%	0.835	82%	0.821	S	S	*	*			trans	-55.4	115.5	176.1	-63.2	174.4	-178.2	174.4	0	110.1	R65	K63-R65 PolarHBondContact O-N 3.26Å
64	R	33.9	Very low	34.8	Very low	250 Å²	250	160.8 Å²	160.8	94%	0.943	82%	0.819	S	S	*	*			trans	-59.8	112.8	167.4	-80.7	-169.9	171.6	-160.4	-2.4	108.5	P62	P62-R64 PolarHBondContact O-N 3.2Å; P62-R64 VanDerWaalsContact O-N 3.14Å
65	R	33.5	Very low	36.8	Very low	238 Å²	238	162.2 Å²	162.2	90%	0.898	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-56.2	142.3	178.2	-71.6	-178.8	172.2	-177.5	-3.2	110	K63 K67	K63-R65 PolarHBondContact O-N 3.26Å; R65-K67 PolarHBondContact O-N 3.41Å
66	K	37.5	Very low	39.5	Very low	203 Å²	203	154.2 Å²	154.2	88%	0.883	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-52.9	125	171.4	-68.6	176.5	177.2	178.4	0	108.7	V68	K66-V68 PolarHBondContact O-N 3.47Å
67	K	30.1	Very low	42	Very low	208 Å²	208	148.3 Å²	148.3	90%	0.904	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-75.2	118.6	159.9	-89.7	-164.3	170.7	-168.8	0	107.7	R65	R65-K67 PolarHBondContact O-N 3.41Å
68	V	32.7	Very low	44.4	Very low	123 Å²	123	144.3 Å²	144.3	75%	0.745	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-62.8	158.5	160.7	179.9	0	0	0	0	108.2	K66 G70	K66-V68 PolarHBondContact O-N 3.47Å; V68-G70 PolarHBondContact O-N 3.15Å; V68-G70 VanDerWaalsContact O-N 3.14Å
69	S	37.9	Very low	47.1	Very low	114 Å²	114	143.8 Å²	143.8	80%	0.797	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-50	116.5	177.6	47.4	0	0	0	0	111.8
70	G	34.6	Very low	49.7	Very low	61 Å²	61	138 Å²	138	63%	0.629	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-80	168.3	168.6	0	0	0	0	0	111.8	V68	V68-G70 PolarHBondContact O-N 3.15Å; V68-G70 VanDerWaalsContact O-N 3.14Å
71	P	45.6	Very low	52.4	Low	126 Å²	126	128 Å²	128	82%	0.818	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-60.4	161	178.8	-22	33.6	0	0	0	113.2	V73	P71-V73 PolarHBondContact O-N 3.49Å; P71-V73 VanDerWaalsContact O-N 3.17Å
72	I	47.2	Very low	55.1	Low	164 Å²	164	120.5 Å²	120.5	84%	0.841	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-54.9	120.3	171	-61.7	170.7	0	0	0	108.4
73	V	48.9	Very low	57.5	Low	122 Å²	122	119.5 Å²	119.5	74%	0.739	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-62.3	128.6	174.3	179.5	0	0	0	0	107.8	P71 K75	P71-V73 PolarHBondContact O-N 3.49Å; P71-V73 VanDerWaalsContact O-N 3.17Å; V73-K75 PolarHBondContact O-N 3.07Å
74	P	55.5	Low	59.8	Low	115 Å²	115	114.8 Å²	114.8	75%	0.747	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-55.8	133.5	-178.9	21.7	-33.1	0	0	0	110.3	N76	P74-N76 PolarHBondContact O-N 3.43Å
75	K	68.6	Low	61.9	Low	104 Å²	104	106.9 Å²	106.9	45%	0.452	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-57	139.9	179.4	-71.1	-168.7	-179.6	-167.1	0	109.4	V73 A77 M79 Q80 E83	V73-K75 PolarHBondContact O-N 3.07Å; K75-A77 PolarHBondContact O-N 3.26Å; K75-M79 HydrophobicContact CB-CE 3.96Å; K75-M79 HydrophobicContact CD-CE 3.76Å; K75-M79 HydrophobicContact CG-CE 3.75Å; K75-Q80 HydrophobicContact CB-CB 4.23Å; K75-E83 VanDerWaalsContact CD-OE2 3.32Å; K75-E83 WeakPolarHBondContact CD-OE2 3.39Å; K75-E83 IonicContact NZ-OE1 3.88Å; K75-E83 PolarHBondContact NZ-OE1 3.04Å; K75-E83 IonicContact NZ-OE2 3.88Å; K75-E83 PolarHBondContact NZ-OE2 3.28Å
76	N	84	Confident	64.2	Low	83 Å²	83	100.2 Å²	100.2	44%	0.444	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-58.1	128.1	173.2	177	-16.3	0	0	0	109.1	P74 L78 M79 Q80 L127	P74-N76 PolarHBondContact O-N 3.43Å; N76-L78 PolarHBondContact O-N 3.05Å; N76-L78 VanDerWaalsContact O-N 3.13Å; N76-L78 PolarHBondContact OD1-N 3.28Å; N76-L78 VanDerWaalsContact OD1-N 3.14Å; N76-M79 HydrophobicContact CB-CB 4.23Å; N76-M79 WeakPolarHBondContact O-CA 3.4Å; N76-M79 VanDerWaalsContact O-CB 3.27Å; N76-M79 WeakPolarHBondContact O-CB 3.42Å; N76-M79 PolarHBondContact O-N 3.5Å; N76-Q80 PolarHBondContact O-N 3.26Å; N76-L127 WeakPolarHBondContact OD1-CD1 3.43Å
77	A	81.2	Confident	66.2	Low	12 Å²	12	93.9 Å²	93.9	10%	0.099	54%	0.541	C	S	.	.	H	α-helix	trans	-53.5	-35.9	-176.6	0	0	0	0	0	113.6	K75 M79 Q80 L81 L127 A130 E131 L134	K75-A77 PolarHBondContact O-N 3.26Å; A77-M79 VanDerWaalsContact C-N 3.28Å; A77-M79 PolarHBondContact O-N 3.48Å; A77-Q80 PolarHBondContact O-N 3.23Å; A77-L81 VanDerWaalsContact O-CB 3.27Å; A77-L81 WeakPolarHBondContact O-CB 3.4Å; A77-L81 PolarHBondContact O-N 3.17Å; A77-L127 HydrophobicContact CB-CD1 3.93Å; A77-A130 HydrophobicContact CB-CB 4.41Å; A77-E131 HydrophobicContact CB-CG 3.53Å; A77-L134 HydrophobicContact CB-CD1 3.74Å; A77-L134 WeakPolarHBondContact O-CD1 3.45Å
78	L	85.1	Confident	68.7	Low	41 Å²	41	85.2 Å²	85.2	22%	0.215	50%	0.504	C	S	.	.	H	α-helix	trans	-64.2	-31.3	173.9	-78	164.9	0	0	0	113.5	N76 N82 Y90 K126 L127 A130	N76-L78 PolarHBondContact O-N 3.05Å; N76-L78 VanDerWaalsContact O-N 3.13Å; N76-L78 PolarHBondContact OD1-N 3.28Å; N76-L78 VanDerWaalsContact OD1-N 3.14Å; L78-N82 WeakPolarHBondContact O-CB 3.38Å; L78-N82 PolarHBondContact O-N 3.14Å; L78-Y90 HydrophobicContact CD2-CE1 3.79Å; L78-Y90 HydrophobicContact CD2-CE2 4.49Å; L78-K126 HydrophobicContact CD1-CB 4.46Å; L78-K126 HydrophobicContact CD2-CB 4.17Å; L78-L127 HydrophobicContact CD1-CB 4.02Å; L78-L127 HydrophobicContact CD1-CD1 4.06Å; L78-L127 HydrophobicContact CG-CB 4.47Å; L78-L127 HydrophobicContact CG-CD1 4Å; L78-A130 HydrophobicContact CD2-CB 3.8Å; L78-A130 HydrophobicContact CG-CB 4.09Å
79	M	84.3	Confident	71.1	Confident	92 Å²	92	86 Å²	86	45%	0.453	50%	0.5	S	S	.	.	H	α-helix	trans	-79.2	-48.4	177.5	-166.9	176.8	83.5	0	0	110.2	K75 N76 A77 L81 N82 E83	K75-M79 HydrophobicContact CB-CE 3.96Å; K75-M79 HydrophobicContact CD-CE 3.76Å; K75-M79 HydrophobicContact CG-CE 3.75Å; N76-M79 HydrophobicContact CB-CB 4.23Å; N76-M79 WeakPolarHBondContact O-CA 3.4Å; N76-M79 VanDerWaalsContact O-CB 3.27Å; N76-M79 WeakPolarHBondContact O-CB 3.42Å; N76-M79 PolarHBondContact O-N 3.5Å; A77-M79 VanDerWaalsContact C-N 3.28Å; A77-M79 PolarHBondContact O-N 3.48Å; M79-L81 PolarHBondContact O-N 3.35Å; M79-N82 CarbonylContact O-C 3.48Å; M79-N82 PolarHBondContact O-N 3.43Å; M79-E83 WeakPolarHBondContact O-CG 3.46Å; M79-E83 PolarHBondContact O-N 3.25Å
80	Q	82.4	Confident	73.6	Confident	79 Å²	79	82.5 Å²	82.5	37%	0.369	47%	0.47	S	S	.	.	H	α-helix	trans	-62	-41.4	179.5	-176.2	174.4	-2.9	0	0	112.3	K75 N76 A77 N82 E83 I84 L134	K75-Q80 HydrophobicContact CB-CB 4.23Å; N76-Q80 PolarHBondContact O-N 3.26Å; A77-Q80 PolarHBondContact O-N 3.23Å; Q80-N82 VanDerWaalsContact C-N 3.33Å; Q80-N82 PolarHBondContact O-N 3.21Å; Q80-E83 PolarHBondContact O-N 3.13Å; Q80-I84 HydrophobicContact CG-CD1 4.24Å; Q80-I84 WeakPolarHBondContact O-CG1 3.48Å; Q80-I84 PolarHBondContact O-N 3.15Å; Q80-L134 HydrophobicContact CB-CD1 4.1Å; Q80-L134 HydrophobicContact CG-CD1 4.21Å; Q80-L134 HydrophobicContact CG-CD2 4.3Å
81	L	84	Confident	76.2	Confident	0 Å²	0	84.4 Å²	84.4	0%	0	46%	0.461	C	S	.	.	H	α-helix	trans	-68.1	-32.4	176.5	-173.6	58.8	0	0	0	112.5	A77 M79 K85 L88 A130 A133 L134 F137	A77-L81 VanDerWaalsContact O-CB 3.27Å; A77-L81 WeakPolarHBondContact O-CB 3.4Å; A77-L81 PolarHBondContact O-N 3.17Å; M79-L81 PolarHBondContact O-N 3.35Å; L81-K85 PolarHBondContact O-N 2.98Å; L81-L88 HydrophobicContact CD1-CD1 4.1Å; L81-L88 HydrophobicContact CD2-CD1 4.08Å; L81-L88 HydrophobicContact CG-CD1 3.66Å; L81-A130 HydrophobicContact CD2-CB 3.79Å; L81-A133 HydrophobicContact CD1-CB 4.45Å; L81-A133 HydrophobicContact CD2-CB 3.73Å; L81-L134 HydrophobicContact CB-CD1 4.27Å; L81-L134 HydrophobicContact CB-CD2 4.01Å; L81-L134 HydrophobicContact CB-CG 4.01Å; L81-L134 HydrophobicContact CD1-CD2 3.88Å; L81-L134 HydrophobicContact CD1-CG 4.24Å; L81-F137 HydrophobicContact CD1-CD2 4.26Å; L81-F137 HydrophobicContact CD1-CE2 3.79Å
82	N	85.3	Confident	78.4	Confident	84 Å²	84	81.9 Å²	81.9	45%	0.449	44%	0.44	S	S	.	.	H	α-helix	trans	-79.6	-23.6	174.9	-173.8	93.3	0	0	0	113.1	L78 M79 Q80 K85 P86	L78-N82 WeakPolarHBondContact O-CB 3.38Å; L78-N82 PolarHBondContact O-N 3.14Å; M79-N82 CarbonylContact O-C 3.48Å; M79-N82 PolarHBondContact O-N 3.43Å; Q80-N82 VanDerWaalsContact C-N 3.33Å; Q80-N82 PolarHBondContact O-N 3.21Å; N82-K85 CarbonylContact O-C 3.51Å; N82-P86 WeakPolarHBondContact O-CA 3.38Å
83	E	84.5	Confident	80.4	Confident	99 Å²	99	79.6 Å²	79.6	46%	0.463	43%	0.428	S	S	.	.	H	α-helix	trans	-67.7	-41.2	166.8	-73.7	171.7	174.1	0	0	110.8	K75 M79 Q80	K75-E83 VanDerWaalsContact CD-OE2 3.32Å; K75-E83 WeakPolarHBondContact CD-OE2 3.39Å; K75-E83 IonicContact NZ-OE1 3.88Å; K75-E83 PolarHBondContact NZ-OE1 3.04Å; K75-E83 IonicContact NZ-OE2 3.88Å; K75-E83 PolarHBondContact NZ-OE2 3.28Å; M79-E83 WeakPolarHBondContact O-CG 3.46Å; M79-E83 PolarHBondContact O-N 3.25Å; Q80-E83 PolarHBondContact O-N 3.13Å
84	I	79.8	Confident	82.2	Confident	92 Å²	92	76.3 Å²	76.3	47%	0.472	41%	0.411	S	S	.	.	H	α-helix	trans	-72.5	-42.3	178.2	-66.9	164.3	0	0	0	111.8	Q80 L134 F137	Q80-I84 HydrophobicContact CG-CD1 4.24Å; Q80-I84 WeakPolarHBondContact O-CG1 3.48Å; Q80-I84 PolarHBondContact O-N 3.15Å; I84-L134 HydrophobicContact CD1-CD2 3.74Å; I84-F137 HydrophobicContact CG2-CZ 4.47Å
85	K	77.3	Confident	83.9	Confident	84 Å²	84	76.5 Å²	76.5	37%	0.365	40%	0.402	S	S	.	.	S	Bend	trans	-139.7	95	177.8	-163.5	165.5	-166.3	174.3	0	111.2	L81 N82 L88 V110 N111	L81-K85 PolarHBondContact O-N 2.98Å; N82-K85 CarbonylContact O-C 3.51Å; K85-L88 HydrophobicContact CB-CD1 4.07Å; K85-L88 HydrophobicContact CB-CG 4.19Å; K85-L88 HydrophobicContact CD-CD2 4.16Å; K85-L88 HydrophobicContact CG-CD2 4.36Å; K85-L88 HydrophobicContact CG-CG 4.26Å; K85-L88 WeakPolarHBondContact O-CG 3.35Å; K85-V110 HydrophobicContact CD-CG1 4.15Å; K85-N111 PolarHBondContact NZ-OD1 3.17Å
86	P	81.4	Confident	84.8	Confident	99 Å²	99	74.6 Å²	74.6	64%	0.643	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	148.1	177.2	27.4	-34.3	0	0	0	111.3	N82	N82-P86 WeakPolarHBondContact O-CA 3.38Å
87	G	78.9	Confident	85	Confident	69 Å²	69	73.3 Å²	73.3	71%	0.711	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	6.5	175	0	0	0	0	0	116.1	Q89	G87-Q89 PolarHBondContact O-N 3.18Å
88	L	83.5	Confident	85.2	Confident	26 Å²	26	75.9 Å²	75.9	14%	0.136	42%	0.424	C	S	.	.			trans	-57.4	127.3	178.1	-78.6	173.2	0	0	0	113.4	L81 K85 Y90 V108 E109 V110	L81-L88 HydrophobicContact CD1-CD1 4.1Å; L81-L88 HydrophobicContact CD2-CD1 4.08Å; L81-L88 HydrophobicContact CG-CD1 3.66Å; K85-L88 HydrophobicContact CB-CD1 4.07Å; K85-L88 HydrophobicContact CB-CG 4.19Å; K85-L88 HydrophobicContact CD-CD2 4.16Å; K85-L88 HydrophobicContact CG-CD2 4.36Å; K85-L88 HydrophobicContact CG-CG 4.26Å; K85-L88 WeakPolarHBondContact O-CG 3.35Å; L88-Y90 HydrophobicContact CB-CE2 4.18Å; L88-Y90 WeakPolarHBondContact O-CD2 3.3Å; L88-V108 HydrophobicContact CB-CG2 4.15Å; L88-V108 HydrophobicContact CD1-CG2 4.31Å; L88-V108 HydrophobicContact CD2-CG2 4.34Å; L88-E109 WeakPolarHBondContact CD2-O 3.32Å; L88-V110 HydrophobicContact CD1-CG2 4.03Å; L88-V110 HydrophobicContact CD2-CB 4.44Å; L88-V110 HydrophobicContact CD2-CG1 4.28Å; L88-V110 HydrophobicContact CD2-CG2 3.89Å
89	Q	82.8	Confident	85	Confident	140 Å²	140	81 Å²	81	65%	0.654	46%	0.457	S	S	*	.			trans	-87.3	132	177.9	-61.7	-169.6	14.7	0	0	111.5	G87	G87-Q89 PolarHBondContact O-N 3.18Å
90	Y	90.2	Very high	84.9	Confident	41 Å²	41	84.7 Å²	84.7	16%	0.161	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109.2	177	-69.8	-105.2	0	0	0	110.3	L78 L88 T107 V108 K126 A130	L78-Y90 HydrophobicContact CD2-CE1 3.79Å; L78-Y90 HydrophobicContact CD2-CE2 4.49Å; L88-Y90 HydrophobicContact CB-CE2 4.18Å; L88-Y90 WeakPolarHBondContact O-CD2 3.3Å; Y90-T107 CarbonylContact C-O 3.46Å; Y90-T107 WeakPolarHBondContact CA-O 3.43Å; Y90-V108 HydrophobicContact CD1-CB 3.78Å; Y90-V108 HydrophobicContact CD1-CG2 4.15Å; Y90-V108 HydrophobicContact CD2-CG2 4.3Å; Y90-V108 HydrophobicContact CE1-CB 3.7Å; Y90-V108 HydrophobicContact CE1-CG1 4.21Å; Y90-V108 HydrophobicContact CE1-CG2 3.88Å; Y90-V108 HydrophobicContact CE2-CG2 4.01Å; Y90-V108 HydrophobicContact CG-CB 4.33Å; Y90-V108 HydrophobicContact CG-CG2 4.35Å; Y90-K126 HydrophobicContact CD1-CB 4.14Å; Y90-K126 HydrophobicContact CD1-CD 4.19Å; Y90-K126 HydrophobicContact CD1-CG 3.85Å; Y90-K126 HydrophobicContact CE1-CB 4.45Å; Y90-K126 HydrophobicContact CG-CD 4.1Å; Y90-K126 HydrophobicContact CG-CG 4.22Å; Y90-A130 HydrophobicContact CE1-CB 4.37Å
91	K	90.1	Very high	85	Confident	101 Å²	101	83.5 Å²	83.5	44%	0.439	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135.2	-176.3	-62.6	165.7	-175.1	162.1	0	109.8	M106 T107 E109	K91-M106 VanDerWaalsContact C-CE 3.46Å; K91-M106 CarbonylContact O-C 3.52Å; K91-M106 WeakPolarHBondContact O-CA 3.44Å; K91-M106 VanDerWaalsContact O-CE 3.32Å; K91-M106 WeakPolarHBondContact O-CE 3.39Å; K91-T107 PolarHBondContact N-O 2.73Å; K91-T107 PolarHBondContact O-N 2.82Å; K91-T107 PolarHBondContact O-OG1 3.49Å; K91-E109 IonicContact NZ-OE2 2.67Å; K91-E109 PolarHBondContact NZ-OE2 3.44Å
92	L	91.6	Very high	85.2	Confident	73 Å²	73	85 Å²	85	38%	0.382	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	115.7	173.8	177.4	72.2	0	0	0	107.7	F104 M106 K122	L92-F104 HydrophobicContact CD1-CB 4.26Å; L92-F104 HydrophobicContact CD1-CD1 4.38Å; L92-M106 HydrophobicContact CB-CE 4.24Å; L92-M106 HydrophobicContact CB-SD 3.83Å; L92-M106 HydrophobicContact CD1-CG 4.4Å; L92-M106 HydrophobicContact CD1-SD 3.48Å; L92-M106 WeakPolarHBondContact CD1-SD 3.36Å; L92-M106 HydrophobicContact CG-SD 4.26Å; L92-K122 HydrophobicContact CD2-CD 4.41Å
93	L	88.3	Confident	85.5	Confident	115 Å²	115	83.9 Å²	83.9	60%	0.602	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	-47.8	176.9	-70.8	-168	0	0	0	111.7	V105 T107	L93-V105 PolarHBondContact N-O 3.31Å; L93-T107 HydrophobicContact CD1-CG2 3.45Å; L93-T107 VanDerWaalsContact CD1-CG2 3.45Å; L93-T107 HydrophobicContact CD2-CG2 4.39Å; L93-T107 HydrophobicContact CG-CG2 3.76Å
94	S	87.9	Confident	85.9	Confident	53 Å²	53	80.2 Å²	80.2	37%	0.371	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	157.7	-174.8	67	0	0	0	0	113.2	V105	S94-V105 PolarHBondContact N-O 3.46Å; S94-V105 PolarHBondContact O-N 3.05Å; S94-V105 WeakPolarHBondContact OG-CB 3.43Å; S94-V105 WeakPolarHBondContact OG-CG2 3.48Å
95	Q	90.6	Very high	86.6	Confident	119 Å²	119	77.2 Å²	77.2	56%	0.556	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.6	169.1	176.3	-178.8	-35.4	0	0	106.6	V103 F104	Q95-V103 CarbonylContact C-O 3.51Å; Q95-V103 WeakPolarHBondContact CA-O 3.45Å; Q95-F104 HydrophobicContact CB-CD1 4.07Å; Q95-F104 HydrophobicContact CB-CE1 4.36Å; Q95-F104 VanDerWaalsContact CD-CE1 3.42Å; Q95-F104 HydrophobicContact CG-CD1 3.78Å; Q95-F104 HydrophobicContact CG-CE1 3.64Å; Q95-F104 HydrophobicContact CG-CZ 4.45Å; Q95-F104 VanDerWaalsContact OE1-CE1 3.27Å
96	S	88	Confident	87.4	Confident	64 Å²	64	73.5 Å²	73.5	45%	0.448	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	177.1	-176.5	62.7	0	0	0	0	111	P102 V103	S96-P102 CarbonylContact O-C 3.53Å; S96-P102 WeakPolarHBondContact O-CA 3.28Å; S96-V103 PolarHBondContact N-O 2.76Å; S96-V103 PolarHBondContact O-N 2.95Å
97	G	87.7	Confident	87.9	Confident	56 Å²	56	69.2 Å²	69.2	58%	0.577	41%	0.406	S	S	*	.	S	Bend	trans	81	168.2	-176.8	0	0	0	0	0	113.9
98	P	86.1	Confident	88.5	Confident	66 Å²	66	66 Å²	66	43%	0.429	37%	0.373	S	S	.	.			trans	-72.7	160.2	-175.7	31.7	-36.3	0	0	0	112	H100 A101 P102	P98-H100 WeakPolarHBondContact CG-NE2 3.29Å; P98-H100 PolarHBondContact O-N 2.69Å; P98-A101 HydrophobicContact CG-CB 4.22Å; P98-A101 CarbonylContact O-C 3.48Å; P98-A101 PolarHBondContact O-N 3.05Å; P98-P102 VanDerWaalsContact O-N 3.16Å
99	V	80.8	Confident	88.8	Confident	150 Å²	150	69.5 Å²	69.5	91%	0.909	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.7	-176.2	-177.9	0	0	0	0	113.5
100	H	82.4	Confident	88.8	Confident	169 Å²	169	63 Å²	63	78%	0.782	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-13	177.5	60.2	-107.4	0	0	0	114.5	P98	P98-H100 WeakPolarHBondContact CG-NE2 3.29Å; P98-H100 PolarHBondContact O-N 2.69Å
101	A	83.3	Confident	88.1	Confident	53 Å²	53	66.1 Å²	66.1	44%	0.438	38%	0.378	S	S	.	.	S	Bend	trans	-147	61.4	178.2	0	0	0	0	0	112.2	P98	P98-A101 HydrophobicContact CG-CB 4.22Å; P98-A101 CarbonylContact O-C 3.48Å; P98-A101 PolarHBondContact O-N 3.05Å
102	P	89.8	Confident	87.4	Confident	33 Å²	33	64.8 Å²	64.8	21%	0.214	39%	0.392	C	S	.	.			trans	-73.7	134.5	-178	30.3	-35.3	0	0	0	112	S96 P98 F104 P120	S96-P102 CarbonylContact O-C 3.53Å; S96-P102 WeakPolarHBondContact O-CA 3.28Å; P98-P102 VanDerWaalsContact O-N 3.16Å; P102-F104 HydrophobicContact CB-CE2 3.96Å; P102-F104 HydrophobicContact CB-CZ 3.99Å; P102-F104 HydrophobicContact CG-CE2 3.84Å; P102-F104 HydrophobicContact CG-CZ 4Å; P102-P120 WeakPolarHBondContact O-CA 3.24Å
103	V	90.7	Very high	86.9	Confident	60 Å²	60	66.1 Å²	66.1	36%	0.364	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125	172.2	-178	0	0	0	0	108.7	Q95 S96	Q95-V103 CarbonylContact C-O 3.51Å; Q95-V103 WeakPolarHBondContact CA-O 3.45Å; S96-V103 PolarHBondContact N-O 2.76Å; S96-V103 PolarHBondContact O-N 2.95Å
104	F	93.9	Very high	86.9	Confident	22 Å²	22	65 Å²	65	10%	0.096	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.4	175.6	-54.5	-91	0	0	0	109.4	L92 Q95 P102 S118 G119 K122 A125	L92-F104 HydrophobicContact CD1-CB 4.26Å; L92-F104 HydrophobicContact CD1-CD1 4.38Å; Q95-F104 HydrophobicContact CB-CD1 4.07Å; Q95-F104 HydrophobicContact CB-CE1 4.36Å; Q95-F104 VanDerWaalsContact CD-CE1 3.42Å; Q95-F104 HydrophobicContact CG-CD1 3.78Å; Q95-F104 HydrophobicContact CG-CE1 3.64Å; Q95-F104 HydrophobicContact CG-CZ 4.45Å; Q95-F104 VanDerWaalsContact OE1-CE1 3.27Å; P102-F104 HydrophobicContact CB-CE2 3.96Å; P102-F104 HydrophobicContact CB-CZ 3.99Å; P102-F104 HydrophobicContact CG-CE2 3.84Å; P102-F104 HydrophobicContact CG-CZ 4Å; F104-S118 CarbonylContact O-C 3.5Å; F104-S118 VanDerWaalsContact O-CA 3.27Å; F104-S118 WeakPolarHBondContact O-CA 3.37Å; F104-G119 PolarHBondContact N-O 2.89Å; F104-G119 PolarHBondContact O-N 3.37Å; F104-K122 HydrophobicContact CB-CG 4.15Å; F104-K122 HydrophobicContact CD1-CD 4.02Å; F104-K122 HydrophobicContact CD1-CG 3.37Å; F104-K122 HydrophobicContact CD2-CG 4.29Å; F104-K122 HydrophobicContact CE1-CD 4.11Å; F104-K122 HydrophobicContact CE1-CG 3.71Å; F104-K122 HydrophobicContact CG-CG 3.67Å; F104-K122 HydrophobicContact CZ-CG 4.32Å; F104-A125 HydrophobicContact CB-CB 4.11Å; F104-A125 VanDerWaalsContact O-CB 3.29Å; F104-A125 WeakPolarHBondContact O-CB 3.22Å
105	V	93.2	Very high	87.1	Confident	28 Å²	28	63.9 Å²	63.9	17%	0.17	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	119.8	170.9	-173.9	0	0	0	0	109.3	L93 S94 D116	L93-V105 PolarHBondContact N-O 3.31Å; S94-V105 PolarHBondContact N-O 3.46Å; S94-V105 PolarHBondContact O-N 3.05Å; S94-V105 WeakPolarHBondContact OG-CB 3.43Å; S94-V105 WeakPolarHBondContact OG-CG2 3.48Å; V105-D116 HydrophobicContact CG1-CB 4.19Å
106	M	94.9	Very high	87.2	Confident	6 Å²	6	61.2 Å²	61.2	3%	0.03	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.4	-180	-66.7	-70.9	-33.6	0	0	109	K91 L92 D116 G117 K122 A125 K126	K91-M106 VanDerWaalsContact C-CE 3.46Å; K91-M106 CarbonylContact O-C 3.52Å; K91-M106 WeakPolarHBondContact O-CA 3.44Å; K91-M106 VanDerWaalsContact O-CE 3.32Å; K91-M106 WeakPolarHBondContact O-CE 3.39Å; L92-M106 HydrophobicContact CB-CE 4.24Å; L92-M106 HydrophobicContact CB-SD 3.83Å; L92-M106 HydrophobicContact CD1-CG 4.4Å; L92-M106 HydrophobicContact CD1-SD 3.48Å; L92-M106 WeakPolarHBondContact CD1-SD 3.36Å; L92-M106 HydrophobicContact CG-SD 4.26Å; M106-D116 CarbonylContact O-C 3.49Å; M106-D116 WeakPolarHBondContact O-CA 3.22Å; M106-G117 PolarHBondContact N-O 2.64Å; M106-G117 PolarHBondContact O-N 3.14Å; M106-K122 HydrophobicContact SD-CB 4.5Å; M106-A125 HydrophobicContact CB-CB 4.04Å; M106-A125 HydrophobicContact CG-CB 3.47Å; M106-A125 VanDerWaalsContact CG-CB 3.47Å; M106-K126 HydrophobicContact CB-CG 4.15Å; M106-K126 HydrophobicContact CE-CD 4.28Å; M106-K126 VanDerWaalsContact CE-CE 3.48Å; M106-K126 HydrophobicContact CE-CG 3.78Å; M106-K126 HydrophobicContact CG-CG 3.83Å; M106-K126 HydrophobicContact SD-CG 4.16Å
107	T	92.4	Very high	87.5	Confident	10 Å²	10	58.3 Å²	58.3	6%	0.061	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	152.1	167.8	41.7	0	0	0	0	112.4	Y90 K91 L93 V114 F115 D116	Y90-T107 CarbonylContact C-O 3.46Å; Y90-T107 WeakPolarHBondContact CA-O 3.43Å; K91-T107 PolarHBondContact N-O 2.73Å; K91-T107 PolarHBondContact O-N 2.82Å; K91-T107 PolarHBondContact O-OG1 3.49Å; L93-T107 HydrophobicContact CD1-CG2 3.45Å; L93-T107 VanDerWaalsContact CD1-CG2 3.45Å; L93-T107 HydrophobicContact CD2-CG2 4.39Å; L93-T107 HydrophobicContact CG-CG2 3.76Å; T107-V114 HydrophobicContact CG2-CG1 3.64Å; T107-F115 CarbonylContact C-O 3.5Å; T107-F115 VanDerWaalsContact CA-O 3.23Å; T107-F115 WeakPolarHBondContact CA-O 3.46Å; T107-D116 HydrophobicContact CG2-CB 3.95Å
108	V	91.6	Very high	87.7	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.8	163.8	65.8	0	0	0	0	108.7	L88 Y90 V110 F115 A129 A133	L88-V108 HydrophobicContact CB-CG2 4.15Å; L88-V108 HydrophobicContact CD1-CG2 4.31Å; L88-V108 HydrophobicContact CD2-CG2 4.34Å; Y90-V108 HydrophobicContact CD1-CB 3.78Å; Y90-V108 HydrophobicContact CD1-CG2 4.15Å; Y90-V108 HydrophobicContact CD2-CG2 4.3Å; Y90-V108 HydrophobicContact CE1-CB 3.7Å; Y90-V108 HydrophobicContact CE1-CG1 4.21Å; Y90-V108 HydrophobicContact CE1-CG2 3.88Å; Y90-V108 HydrophobicContact CE2-CG2 4.01Å; Y90-V108 HydrophobicContact CG-CB 4.33Å; Y90-V108 HydrophobicContact CG-CG2 4.35Å; V108-V110 HydrophobicContact CG1-CG2 4.26Å; V108-V110 HydrophobicContact CG2-CG2 3.98Å; V108-F115 HydrophobicContact CG1-CB 4.09Å; V108-F115 PolarHBondContact N-O 3.3Å; V108-F115 PolarHBondContact O-N 3.09Å; V108-A129 HydrophobicContact CG1-CB 4.15Å; V108-A133 HydrophobicContact CG1-CB 4.05Å
109	E	88.6	Confident	88	Confident	99 Å²	99	56.5 Å²	56.5	46%	0.463	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.8	-178	-175.5	-176.7	153.5	0	0	108.5	L88 K91 Q113 V114	L88-E109 WeakPolarHBondContact CD2-O 3.32Å; K91-E109 IonicContact NZ-OE2 2.67Å; K91-E109 PolarHBondContact NZ-OE2 3.44Å; E109-Q113 CarbonylContact C-O 3.54Å; E109-Q113 WeakPolarHBondContact CA-O 3.3Å; E109-V114 HydrophobicContact CB-CG2 4.44Å; E109-V114 HydrophobicContact CG-CG2 4.13Å
110	V	83.6	Confident	88.5	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	122	-176.7	-159.8	0	0	0	0	109.8	K85 L88 V108 G112 Q113 F115 A133 F137	K85-V110 HydrophobicContact CD-CG1 4.15Å; L88-V110 HydrophobicContact CD1-CG2 4.03Å; L88-V110 HydrophobicContact CD2-CB 4.44Å; L88-V110 HydrophobicContact CD2-CG1 4.28Å; L88-V110 HydrophobicContact CD2-CG2 3.89Å; V108-V110 HydrophobicContact CG1-CG2 4.26Å; V108-V110 HydrophobicContact CG2-CG2 3.98Å; V110-G112 VanDerWaalsContact C-N 3.28Å; V110-G112 PolarHBondContact O-N 3.41Å; V110-Q113 PolarHBondContact N-O 3.47Å; V110-Q113 PolarHBondContact O-N 2.92Å; V110-F115 HydrophobicContact CB-CD2 4.5Å; V110-F115 HydrophobicContact CB-CE2 4.21Å; V110-F115 HydrophobicContact CG2-CD2 4.32Å; V110-F115 HydrophobicContact CG2-CE2 4.49Å; V110-A133 HydrophobicContact CG2-CB 4.15Å; V110-F137 HydrophobicContact CG1-CE2 3.7Å; V110-F137 HydrophobicContact CG1-CZ 3.61Å
111	N	74.3	Confident	88.9	Confident	108 Å²	108	48.5 Å²	48.5	58%	0.578	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	41.8	176.5	-58.5	-4.6	0	0	0	113.5	K85 Q113	K85-N111 PolarHBondContact NZ-OD1 3.17Å; N111-Q113 VanDerWaalsContact C-N 3.26Å; N111-Q113 PolarHBondContact O-N 3.23Å
112	G	75.3	Confident	89.3	Confident	72 Å²	72	50.5 Å²	50.5	74%	0.742	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-9	-178.8	0	0	0	0	0	115.1	V110	V110-G112 VanDerWaalsContact C-N 3.28Å; V110-G112 PolarHBondContact O-N 3.41Å
113	Q	82.4	Confident	89.3	Confident	101 Å²	101	56.8 Å²	56.8	47%	0.472	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	139.8	176.2	-61.1	-174.8	10.5	0	0	111.1	E109 V110 N111 F115 S136	E109-Q113 CarbonylContact C-O 3.54Å; E109-Q113 WeakPolarHBondContact CA-O 3.3Å; V110-Q113 PolarHBondContact N-O 3.47Å; V110-Q113 PolarHBondContact O-N 2.92Å; N111-Q113 VanDerWaalsContact C-N 3.26Å; N111-Q113 PolarHBondContact O-N 3.23Å; Q113-F115 HydrophobicContact CB-CE2 3.68Å; Q113-F115 HydrophobicContact CB-CZ 3.69Å; Q113-S136 PolarHBondContact OE1-OG 3.19Å
114	V	88.1	Confident	89.3	Confident	92 Å²	92	60 Å²	60	56%	0.558	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.8	179.5	-178.7	0	0	0	0	109.7	T107 E109	T107-V114 HydrophobicContact CG2-CG1 3.64Å; E109-V114 HydrophobicContact CB-CG2 4.44Å; E109-V114 HydrophobicContact CG-CG2 4.13Å
115	F	91.8	Very high	89.3	Confident	30 Å²	30	58.9 Å²	58.9	13%	0.132	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	121.6	-179.7	-57.7	-82.9	0	0	0	110.4	T107 V108 V110 Q113 K132 A133 S136	T107-F115 CarbonylContact C-O 3.5Å; T107-F115 VanDerWaalsContact CA-O 3.23Å; T107-F115 WeakPolarHBondContact CA-O 3.46Å; V108-F115 HydrophobicContact CG1-CB 4.09Å; V108-F115 PolarHBondContact N-O 3.3Å; V108-F115 PolarHBondContact O-N 3.09Å; V110-F115 HydrophobicContact CB-CD2 4.5Å; V110-F115 HydrophobicContact CB-CE2 4.21Å; V110-F115 HydrophobicContact CG2-CD2 4.32Å; V110-F115 HydrophobicContact CG2-CE2 4.49Å; Q113-F115 HydrophobicContact CB-CE2 3.68Å; Q113-F115 HydrophobicContact CB-CZ 3.69Å; F115-K132 HydrophobicContact CB-CB 4.25Å; F115-K132 HydrophobicContact CD1-CB 4.24Å; F115-A133 HydrophobicContact CB-CB 4.15Å; F115-A133 HydrophobicContact CD1-CB 4.47Å; F115-A133 HydrophobicContact CD2-CB 3.55Å; F115-A133 HydrophobicContact CE2-CB 4.05Å; F115-A133 HydrophobicContact CG-CB 3.79Å; F115-S136 VanDerWaalsContact CZ-CB 3.47Å
116	D	92.4	Very high	89.3	Confident	63 Å²	63	61.2 Å²	61.2	34%	0.337	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	159.1	172.2	75.5	-70.1	0	0	0	112.3	V105 M106 T107 K132	V105-D116 HydrophobicContact CG1-CB 4.19Å; M106-D116 CarbonylContact O-C 3.49Å; M106-D116 WeakPolarHBondContact O-CA 3.22Å; T107-D116 HydrophobicContact CG2-CB 3.95Å; D116-K132 WeakPolarHBondContact O-CD 3.19Å; D116-K132 WeakPolarHBondContact O-CE 3.44Å; D116-K132 PolarHBondContact O-NZ 3.32Å; D116-K132 IonicContact OD1-NZ 2.68Å; D116-K132 PolarHBondContact OD1-NZ 3.46Å; D116-K132 IonicContact OD2-NZ 2.79Å; D116-K132 PolarHBondContact OD2-NZ 3.45Å
117	G	93.4	Very high	89.2	Confident	2 Å²	2	63.2 Å²	63.2	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	128.5	168.3	0	0	0	0	0	110.8	M106 A125	M106-G117 PolarHBondContact N-O 2.64Å; M106-G117 PolarHBondContact O-N 3.14Å; G117-A125 CarbonylContact C-O 3.48Å; G117-A125 WeakPolarHBondContact O-CB 3.37Å
118	S	92.8	Very high	89.1	Confident	76 Å²	76	63.7 Å²	63.7	53%	0.531	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	155.6	178.3	63.1	0	0	0	0	112.2	F104	F104-S118 CarbonylContact O-C 3.5Å; F104-S118 VanDerWaalsContact O-CA 3.27Å; F104-S118 WeakPolarHBondContact O-CA 3.37Å
119	G	92.7	Very high	89.2	Confident	8 Å²	8	63.6 Å²	63.6	8%	0.082	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.7	166.7	169.7	0	0	0	0	0	115.3	F104 T121	F104-G119 PolarHBondContact N-O 2.89Å; F104-G119 PolarHBondContact O-N 3.37Å; G119-T121 PolarHBondContact O-N 3.38Å; G119-T121 VanDerWaalsContact O-N 3.09Å
120	P	91.1	Very high	89.3	Confident	81 Å²	81	58.9 Å²	58.9	53%	0.526	33%	0.328	S	S	.	.	S	Bend	trans	-70.7	-2.1	-176.5	29.7	-37.8	0	0	0	114.7	P102 K124	P102-P120 WeakPolarHBondContact O-CA 3.24Å; P120-K124 HydrophobicContact CG-CD 4.37Å
121	T	91.6	Very high	89.6	Confident	70 Å²	70	62.5 Å²	62.5	43%	0.429	35%	0.345	S	S	.	.	S	Bend	trans	-145	149.4	171.2	62.2	0	0	0	0	109.5	G119 K123 K124 A125	G119-T121 PolarHBondContact O-N 3.38Å; G119-T121 VanDerWaalsContact O-N 3.09Å; T121-K123 PolarHBondContact O-N 3.15Å; T121-K124 PolarHBondContact O-N 3.39Å; T121-K124 PolarHBondContact OG1-N 3.3Å; T121-K124 VanDerWaalsContact OG1-N 3.12Å; T121-A125 WeakPolarHBondContact O-CB 3.44Å; T121-A125 PolarHBondContact O-N 2.79Å
122	K	90.9	Very high	90.3	Very high	96 Å²	96	61.6 Å²	61.6	42%	0.417	34%	0.336	S	S	.	.	H	α-helix	trans	-52.8	-29	172.9	-60.9	-174.1	-177.1	-175.9	0	112.6	L92 F104 M106 K126	L92-K122 HydrophobicContact CD2-CD 4.41Å; F104-K122 HydrophobicContact CB-CG 4.15Å; F104-K122 HydrophobicContact CD1-CD 4.02Å; F104-K122 HydrophobicContact CD1-CG 3.37Å; F104-K122 HydrophobicContact CD2-CG 4.29Å; F104-K122 HydrophobicContact CE1-CD 4.11Å; F104-K122 HydrophobicContact CE1-CG 3.71Å; F104-K122 HydrophobicContact CG-CG 3.67Å; F104-K122 HydrophobicContact CZ-CG 4.32Å; M106-K122 HydrophobicContact SD-CB 4.5Å; K122-K126 WeakPolarHBondContact O-CB 3.47Å; K122-K126 WeakPolarHBondContact O-CG 3.27Å; K122-K126 PolarHBondContact O-N 3.35Å
123	K	90.8	Very high	90.9	Very high	164 Å²	164	58.2 Å²	58.2	71%	0.713	30%	0.301	S	S	*	.	H	α-helix	trans	-71.3	-45.7	174.9	-171.4	178.9	-179.8	-178	0	112.9	T121 L127	T121-K123 PolarHBondContact O-N 3.15Å; K123-L127 WeakPolarHBondContact O-CB 3.27Å; K123-L127 PolarHBondContact O-N 3.02Å
124	K	90.7	Very high	91.1	Very high	127 Å²	127	54.3 Å²	54.3	55%	0.552	28%	0.283	S	S	*	.	H	α-helix	trans	-72	-34.4	177.7	-173.6	165.9	175.3	-178.1	0	111.9	P120 T121 L127 G128	P120-K124 HydrophobicContact CG-CD 4.37Å; T121-K124 PolarHBondContact O-N 3.39Å; T121-K124 PolarHBondContact OG1-N 3.3Å; T121-K124 VanDerWaalsContact OG1-N 3.12Å; K124-L127 WeakPolarHBondContact O-CB 3.36Å; K124-L127 PolarHBondContact O-N 3.35Å; K124-G128 PolarHBondContact O-N 3.07Å
125	A	93.3	Very high	90.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.8	-48.9	172	0	0	0	0	0	112	F104 M106 G117 T121 L127 G128 A129	F104-A125 HydrophobicContact CB-CB 4.11Å; F104-A125 VanDerWaalsContact O-CB 3.29Å; F104-A125 WeakPolarHBondContact O-CB 3.22Å; M106-A125 HydrophobicContact CB-CB 4.04Å; M106-A125 HydrophobicContact CG-CB 3.47Å; M106-A125 VanDerWaalsContact CG-CB 3.47Å; G117-A125 CarbonylContact C-O 3.48Å; G117-A125 WeakPolarHBondContact O-CB 3.37Å; T121-A125 WeakPolarHBondContact O-CB 3.44Å; T121-A125 PolarHBondContact O-N 2.79Å; A125-L127 VanDerWaalsContact C-N 3.28Å; A125-L127 PolarHBondContact O-N 2.68Å; A125-G128 PolarHBondContact O-N 2.91Å; A125-A129 PolarHBondContact O-N 3.26Å
126	K	93	Very high	90.1	Very high	77 Å²	77	57.5 Å²	57.5	34%	0.335	29%	0.288	S	S	.	.	H	α-helix	trans	-57	-40.5	171.9	-80.5	-168.4	179.5	-163.6	0	112.5	L78 Y90 M106 K122 A129 A130	L78-K126 HydrophobicContact CD1-CB 4.46Å; L78-K126 HydrophobicContact CD2-CB 4.17Å; Y90-K126 HydrophobicContact CD1-CB 4.14Å; Y90-K126 HydrophobicContact CD1-CD 4.19Å; Y90-K126 HydrophobicContact CD1-CG 3.85Å; Y90-K126 HydrophobicContact CE1-CB 4.45Å; Y90-K126 HydrophobicContact CG-CD 4.1Å; Y90-K126 HydrophobicContact CG-CG 4.22Å; M106-K126 HydrophobicContact CB-CG 4.15Å; M106-K126 HydrophobicContact CE-CD 4.28Å; M106-K126 VanDerWaalsContact CE-CE 3.48Å; M106-K126 HydrophobicContact CE-CG 3.78Å; M106-K126 HydrophobicContact CG-CG 3.83Å; M106-K126 HydrophobicContact SD-CG 4.16Å; K122-K126 WeakPolarHBondContact O-CB 3.47Å; K122-K126 WeakPolarHBondContact O-CG 3.27Å; K122-K126 PolarHBondContact O-N 3.35Å; K126-A129 PolarHBondContact O-N 3.21Å; K126-A130 PolarHBondContact O-N 3.07Å
127	L	92.7	Very high	89	Confident	47 Å²	47	58.3 Å²	58.3	25%	0.246	29%	0.288	C	S	.	.	H	α-helix	trans	-63	-48.1	178	-177.9	62.9	0	0	0	111.7	N76 A77 L78 K123 K124 A125 A129 A130 E131	N76-L127 WeakPolarHBondContact OD1-CD1 3.43Å; A77-L127 HydrophobicContact CB-CD1 3.93Å; L78-L127 HydrophobicContact CD1-CB 4.02Å; L78-L127 HydrophobicContact CD1-CD1 4.06Å; L78-L127 HydrophobicContact CG-CB 4.47Å; L78-L127 HydrophobicContact CG-CD1 4Å; K123-L127 WeakPolarHBondContact O-CB 3.27Å; K123-L127 PolarHBondContact O-N 3.02Å; K124-L127 WeakPolarHBondContact O-CB 3.36Å; K124-L127 PolarHBondContact O-N 3.35Å; A125-L127 VanDerWaalsContact C-N 3.28Å; A125-L127 PolarHBondContact O-N 2.68Å; L127-A129 VanDerWaalsContact C-N 3.31Å; L127-A129 PolarHBondContact O-N 3.03Å; L127-A130 PolarHBondContact O-N 2.89Å; L127-E131 WeakPolarHBondContact CG-OE1 3Å; L127-E131 WeakPolarHBondContact O-CG 3.16Å; L127-E131 PolarHBondContact O-N 2.98Å
128	G	90.2	Very high	87.4	Confident	20 Å²	20	63.6 Å²	63.6	21%	0.206	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-37.4	176.1	0	0	0	0	0	113.3	K124 A125 E131 K132	K124-G128 PolarHBondContact O-N 3.07Å; A125-G128 PolarHBondContact O-N 2.91Å; G128-E131 PolarHBondContact O-N 3.24Å; G128-K132 PolarHBondContact O-N 2.84Å
129	A	93	Very high	85.5	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-42.4	175.9	0	0	0	0	0	111.5	V108 A125 K126 L127 K132 A133	V108-A129 HydrophobicContact CG1-CB 4.15Å; A125-A129 PolarHBondContact O-N 3.26Å; K126-A129 PolarHBondContact O-N 3.21Å; L127-A129 VanDerWaalsContact C-N 3.31Å; L127-A129 PolarHBondContact O-N 3.03Å; A129-K132 PolarHBondContact O-N 3.49Å; A129-A133 WeakPolarHBondContact O-CB 3.42Å; A129-A133 PolarHBondContact O-N 2.85Å
130	A	91.3	Very high	83.2	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-66.7	-36.3	174.4	0	0	0	0	0	112.7	A77 L78 L81 Y90 K126 L127 A133 L134	A77-A130 HydrophobicContact CB-CB 4.41Å; L78-A130 HydrophobicContact CD2-CB 3.8Å; L78-A130 HydrophobicContact CG-CB 4.09Å; L81-A130 HydrophobicContact CD2-CB 3.79Å; Y90-A130 HydrophobicContact CE1-CB 4.37Å; K126-A130 PolarHBondContact O-N 3.07Å; L127-A130 PolarHBondContact O-N 2.89Å; A130-A133 PolarHBondContact O-N 2.83Å; A130-L134 WeakPolarHBondContact O-CB 3.33Å; A130-L134 WeakPolarHBondContact O-CG 3.48Å; A130-L134 PolarHBondContact O-N 3.48Å
131	E	90.3	Very high	81.1	Confident	78 Å²	78	75.2 Å²	75.2	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-41	173.9	-73.9	175.2	-159.6	0	0	112.2	A77 L127 G128 R135	A77-E131 HydrophobicContact CB-CG 3.53Å; L127-E131 WeakPolarHBondContact CG-OE1 3Å; L127-E131 WeakPolarHBondContact O-CG 3.16Å; L127-E131 PolarHBondContact O-N 2.98Å; G128-E131 PolarHBondContact O-N 3.24Å; E131-R135 VanDerWaalsContact O-CG 3.28Å; E131-R135 WeakPolarHBondContact O-CG 3.25Å; E131-R135 PolarHBondContact O-N 3.14Å; E131-R135 VanDerWaalsContact O-N 3.09Å
132	K	89	Confident	78.8	Confident	90 Å²	90	76.8 Å²	76.8	39%	0.391	37%	0.371	S	S	.	.	H	α-helix	trans	-63.7	-46.7	173	-69.6	-158.5	-154.1	174.7	0	111.6	F115 D116 G128 A129 L134 R135 S136	F115-K132 HydrophobicContact CB-CB 4.25Å; F115-K132 HydrophobicContact CD1-CB 4.24Å; D116-K132 WeakPolarHBondContact O-CD 3.19Å; D116-K132 WeakPolarHBondContact O-CE 3.44Å; D116-K132 PolarHBondContact O-NZ 3.32Å; D116-K132 IonicContact OD1-NZ 2.68Å; D116-K132 PolarHBondContact OD1-NZ 3.46Å; D116-K132 IonicContact OD2-NZ 2.79Å; D116-K132 PolarHBondContact OD2-NZ 3.45Å; G128-K132 PolarHBondContact O-N 2.84Å; A129-K132 PolarHBondContact O-N 3.49Å; K132-L134 PolarHBondContact O-N 2.94Å; K132-R135 PolarHBondContact O-N 3.18Å; K132-S136 PolarHBondContact O-N 3.13Å
133	A	88.8	Confident	76.9	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-60	-45.3	178.4	0	0	0	0	0	112.1	L81 V108 V110 F115 A129 A130 R135 S136 F137	L81-A133 HydrophobicContact CD1-CB 4.45Å; L81-A133 HydrophobicContact CD2-CB 3.73Å; V108-A133 HydrophobicContact CG1-CB 4.05Å; V110-A133 HydrophobicContact CG2-CB 4.15Å; F115-A133 HydrophobicContact CB-CB 4.15Å; F115-A133 HydrophobicContact CD1-CB 4.47Å; F115-A133 HydrophobicContact CD2-CB 3.55Å; F115-A133 HydrophobicContact CE2-CB 4.05Å; F115-A133 HydrophobicContact CG-CB 3.79Å; A129-A133 WeakPolarHBondContact O-CB 3.42Å; A129-A133 PolarHBondContact O-N 2.85Å; A130-A133 PolarHBondContact O-N 2.83Å; A133-R135 VanDerWaalsContact C-N 3.33Å; A133-R135 PolarHBondContact O-N 2.86Å; A133-S136 WeakPolarHBondContact O-CB 3.45Å; A133-S136 PolarHBondContact O-N 3.49Å; A133-F137 VanDerWaalsContact O-CD2 3.3Å; A133-F137 WeakPolarHBondContact O-CD2 3.46Å; A133-F137 PolarHBondContact O-N 2.96Å
134	L	85.3	Confident	75	Confident	19 Å²	19	71.1 Å²	71.1	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-34	175.4	-76	176.4	0	0	0	113.3	A77 Q80 L81 I84 A130 K132 S136 F137 V138	A77-L134 HydrophobicContact CB-CD1 3.74Å; A77-L134 WeakPolarHBondContact O-CD1 3.45Å; Q80-L134 HydrophobicContact CB-CD1 4.1Å; Q80-L134 HydrophobicContact CG-CD1 4.21Å; Q80-L134 HydrophobicContact CG-CD2 4.3Å; L81-L134 HydrophobicContact CB-CD1 4.27Å; L81-L134 HydrophobicContact CB-CD2 4.01Å; L81-L134 HydrophobicContact CB-CG 4.01Å; L81-L134 HydrophobicContact CD1-CD2 3.88Å; L81-L134 HydrophobicContact CD1-CG 4.24Å; I84-L134 HydrophobicContact CD1-CD2 3.74Å; A130-L134 WeakPolarHBondContact O-CB 3.33Å; A130-L134 WeakPolarHBondContact O-CG 3.48Å; A130-L134 PolarHBondContact O-N 3.48Å; K132-L134 PolarHBondContact O-N 2.94Å; L134-S136 VanDerWaalsContact C-N 3.34Å; L134-F137 PolarHBondContact O-N 2.79Å; L134-V138 WeakPolarHBondContact O-CG2 3.36Å; L134-V138 PolarHBondContact O-N 3.02Å
135	R	82.4	Confident	73.1	Confident	168 Å²	168	71.5 Å²	71.5	63%	0.634	37%	0.371	S	S	*	.	H	α-helix	trans	-64.5	-38.5	174.8	-73.3	171.8	-168.1	-151.3	5.2	112	E131 K132 A133 F137 V138 Q139	E131-R135 VanDerWaalsContact O-CG 3.28Å; E131-R135 WeakPolarHBondContact O-CG 3.25Å; E131-R135 PolarHBondContact O-N 3.14Å; E131-R135 VanDerWaalsContact O-N 3.09Å; K132-R135 PolarHBondContact O-N 3.18Å; A133-R135 VanDerWaalsContact C-N 3.33Å; A133-R135 PolarHBondContact O-N 2.86Å; R135-F137 PolarHBondContact O-N 2.65Å; R135-V138 PolarHBondContact O-N 3.29Å; R135-V138 VanDerWaalsContact O-N 3.13Å; R135-Q139 WeakPolarHBondContact O-CG 3.33Å; R135-Q139 PolarHBondContact O-N 3.42Å
136	S	76.8	Confident	71	Confident	22 Å²	22	74.5 Å²	74.5	15%	0.154	40%	0.396	C	S	.	.	H	α-helix	trans	-60.1	-44.2	174	176.8	0	0	0	0	112.1	Q113 F115 K132 A133 L134 V138 Q139	Q113-S136 PolarHBondContact OE1-OG 3.19Å; F115-S136 VanDerWaalsContact CZ-CB 3.47Å; K132-S136 PolarHBondContact O-N 3.13Å; A133-S136 WeakPolarHBondContact O-CB 3.45Å; A133-S136 PolarHBondContact O-N 3.49Å; L134-S136 VanDerWaalsContact C-N 3.34Å; S136-V138 PolarHBondContact O-N 3.38Å; S136-Q139 PolarHBondContact O-N 2.95Å
137	F	68.8	Low	69.2	Low	79 Å²	79	78 Å²	78	35%	0.346	41%	0.413	S	S	.	.	H	α-helix	trans	-59.6	-31.6	173.4	-79.3	-76.4	0	0	0	114	L81 I84 V110 A133 L134 R135	L81-F137 HydrophobicContact CD1-CD2 4.26Å; L81-F137 HydrophobicContact CD1-CE2 3.79Å; I84-F137 HydrophobicContact CG2-CZ 4.47Å; V110-F137 HydrophobicContact CG1-CE2 3.7Å; V110-F137 HydrophobicContact CG1-CZ 3.61Å; A133-F137 VanDerWaalsContact O-CD2 3.3Å; A133-F137 WeakPolarHBondContact O-CD2 3.46Å; A133-F137 PolarHBondContact O-N 2.96Å; L134-F137 PolarHBondContact O-N 2.79Å; R135-F137 PolarHBondContact O-N 2.65Å
138	V	59.5	Low	67.2	Low	113 Å²	113	83.6 Å²	83.6	69%	0.685	44%	0.44	S	S	*	.	H	α-helix	trans	-86.1	-18	-178.3	175.4	0	0	0	0	112.4	L134 R135 S136 F140	L134-V138 WeakPolarHBondContact O-CG2 3.36Å; L134-V138 PolarHBondContact O-N 3.02Å; R135-V138 PolarHBondContact O-N 3.29Å; R135-V138 VanDerWaalsContact O-N 3.13Å; S136-V138 PolarHBondContact O-N 3.38Å; V138-F140 VanDerWaalsContact C-N 3.33Å; V138-F140 PolarHBondContact O-N 3.32Å
139	Q	53.2	Low	65.1	Low	151 Å²	151	86.9 Å²	86.9	71%	0.706	47%	0.465	S	S	*	.	S	Bend	trans	-80.3	-6.8	179.5	-77.9	-177	-63.7	0	0	114.7	R135 S136	R135-Q139 WeakPolarHBondContact O-CG 3.33Å; R135-Q139 PolarHBondContact O-N 3.42Å; S136-Q139 PolarHBondContact O-N 2.95Å
140	F	45.3	Very low	62.9	Low	138 Å²	138	93.8 Å²	93.8	61%	0.605	50%	0.499	S	S	*	.			trans	-122.4	76.5	176.8	-65.8	-76.2	0	0	0	113.8	V138 A143	V138-F140 VanDerWaalsContact C-N 3.33Å; V138-F140 PolarHBondContact O-N 3.32Å; F140-A143 HydrophobicContact CD1-CB 4.16Å
141	P	46.1	Very low	60.5	Low	120 Å²	120	97.4 Å²	97.4	78%	0.779	54%	0.536	S	S	*	.	S	Bend	trans	-77.4	-31.8	161.2	-12.9	29.9	0	0	0	112.5
142	N	43.7	Very low	58	Low	104 Å²	104	105.1 Å²	105.1	56%	0.556	56%	0.562	S	S	*	*			trans	-155.9	122.3	176.5	-143.6	6.7	0	0	0	109.7
143	A	50.8	Low	55.3	Low	60 Å²	60	107 Å²	107	50%	0.496	58%	0.581	S	S	.	*	S	Bend	trans	-93	-15.4	-169.4	0	0	0	0	0	114.8	F140	F140-A143 HydrophobicContact CD1-CB 4.16Å
144	S	51.6	Low	52.5	Low	80 Å²	80	115.1 Å²	115.1	56%	0.559	62%	0.624	S	S	*	*	S	Bend	trans	-77.5	-40.1	-176.7	44	0	0	0	0	113.5	H147	S144-H147 PolarHBondContact O-N 3.19Å
145	E	50.3	Low	49.9	Very low	135 Å²	135	117.9 Å²	117.9	63%	0.631	65%	0.649	S	S	*	*	H	α-helix	trans	-73.6	-34	-166.8	-157.8	166.7	-163.7	0	0	113.1	H147 M148	E145-H147 PolarHBondContact O-N 2.87Å; E145-M148 PolarHBondContact O-N 3.38Å
146	A	49.9	Very low	47.4	Very low	63 Å²	63	115.8 Å²	115.8	52%	0.521	66%	0.655	S	S	.	*	H	α-helix	trans	-64.9	-24.7	178.4	0	0	0	0	0	113.8
147	H	53.3	Low	45.3	Very low	150 Å²	150	122.4 Å²	122.4	69%	0.694	68%	0.683	S	S	*	*	H	α-helix	trans	-74.8	-32.4	176.2	-88.7	-82.5	0	0	0	112.8	S144 E145 A149	S144-H147 PolarHBondContact O-N 3.19Å; E145-H147 PolarHBondContact O-N 2.87Å; H147-A149 VanDerWaalsContact C-N 3.31Å; H147-A149 PolarHBondContact O-N 3.06Å
148	M	51.6	Low	43.4	Very low	166 Å²	166	123.9 Å²	123.9	82%	0.818	70%	0.699	S	S	*	*	H	α-helix	trans	-71.2	-28.5	178.3	-63	-176.1	71.4	0	0	112.2	E145 M150	E145-M148 PolarHBondContact O-N 3.38Å; M148-M150 VanDerWaalsContact C-N 3.33Å; M148-M150 PolarHBondContact O-N 2.75Å
149	A	45.6	Very low	42.3	Very low	89 Å²	89	125 Å²	125	74%	0.736	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-10.1	-179.1	0	0	0	0	0	115.3	H147	H147-A149 VanDerWaalsContact C-N 3.31Å; H147-A149 PolarHBondContact O-N 3.06Å
150	M	48	Very low	41.1	Very low	145 Å²	145	126.3 Å²	126.3	71%	0.714	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	5.5	-174.4	-71.2	-154.9	-67.5	0	0	115.8	M148 R152	M148-M150 VanDerWaalsContact C-N 3.33Å; M148-M150 PolarHBondContact O-N 2.75Å; M150-R152 PolarHBondContact O-N 2.62Å
151	G	40.7	Very low	40.5	Very low	75 Å²	75	124.7 Å²	124.7	77%	0.773	71%	0.706	S	S	*	*			trans	49.8	42.8	152.8	0	0	0	0	0	117.8
152	R	36.8	Very low	40.2	Very low	241 Å²	241	123.5 Å²	123.5	91%	0.909	70%	0.701	S	S	*	*			trans	-126.2	86	-175	-142.3	175.4	-164.6	-119.3	1.2	112.9	M150	M150-R152 PolarHBondContact O-N 2.62Å
153	T	32.4	Very low	39.6	Very low	129 Å²	129	125 Å²	125	79%	0.791	71%	0.709	S	S	*	*			trans	-96.7	-179.7	169	44.6	0	0	0	0	111.3
154	L	31.3	Very low	38.9	Very low	170 Å²	170	129.7 Å²	129.7	89%	0.89	72%	0.72	S	S	*	*			trans	82.2	129.2	-175.5	-55.5	172.4	0	0	0	115.6
155	A	29.7	Very low	38.1	Very low	77 Å²	77	129 Å²	129	64%	0.636	73%	0.726	S	S	*	*			cis	-167.1	162.6	-19.6	0	0	0	0	0	110.5
156	V	31	Very low	37.1	Very low	125 Å²	125	130.1 Å²	130.1	76%	0.758	74%	0.736	S	S	*	*			trans	65.1	135.7	152.1	170.7	0	0	0	0	116.8
157	H	31	Very low	35.9	Very low	161 Å²	161	136.4 Å²	136.4	75%	0.745	75%	0.752	S	S	*	*			cis	-167.1	168.3	-9.6	-101.1	-175.4	0	0	0	105.7
158	T	30.6	Very low	35.7	Very low	110 Å²	110	134.1 Å²	134.1	68%	0.675	75%	0.751	S	S	*	*			cis	-152.8	143.4	-3.6	9	0	0	0	0	106.2
159	D	35.1	Very low	34.8	Very low	137 Å²	137	132.8 Å²	132.8	73%	0.733	75%	0.747	S	S	*	*				51.3	120.8	95.5	-172.6	31.8	0	0	0	117.5	T161	D159-T161 PolarHBondContact OD1-N 3.06Å; D159-T161 VanDerWaalsContact OD1-N 3.15Å
160	F	28.2	Very low	34.2	Very low	178 Å²	178	136 Å²	136	78%	0.781	75%	0.747	S	S	*	*			trans	-160.7	86.7	130.9	-165.5	-101.1	0	0	0	111.4
161	T	32.6	Very low	33.5	Very low	103 Å²	103	135.7 Å²	135.7	63%	0.632	75%	0.747	S	S	*	*			trans	67.7	156.2	165.7	73.3	0	0	0	0	116.8	D159	D159-T161 PolarHBondContact OD1-N 3.06Å; D159-T161 VanDerWaalsContact OD1-N 3.15Å
162	S	39.4	Very low	32.9	Very low	96 Å²	96	140.5 Å²	140.5	67%	0.671	75%	0.747	S	S	*	*			cis	178.6	151.5	-16	54.2	0	0	0	0	107.2
163	D	31.9	Very low	32.7	Very low	134 Å²	134	136.3 Å²	136.3	72%	0.717	74%	0.743	S	S	*	*			cis	-161.9	-152.4	-3.3	-132.1	-83.7	0	0	0	112.1
164	Q	36.2	Very low	32.4	Very low	159 Å²	159	133.9 Å²	133.9	74%	0.743	74%	0.736	S	S	*	*			trans	-38.1	157.2	176.2	-49.6	-52.4	-41.1	0	0	119.2
165	G	33.6	Very low	32.2	Very low	65 Å²	65	135 Å²	135	67%	0.67	73%	0.734	S	S	*	*			cis	167	172.6	-5	0	0	0	0	0	116.1
166	D	29.3	Very low	32.2	Very low	159 Å²	159	138.7 Å²	138.7	85%	0.85	74%	0.738	S	S	*	*			trans	67	155.1	161.5	-64.1	-23.7	0	0	0	124.6
167	F	26.4	Very low	32	Very low	196 Å²	196	138.6 Å²	138.6	86%	0.86	74%	0.737	S	S	*	*			trans	-142.8	-171.7	-161.3	-103.9	-85.6	0	0	0	107.8
168	P	49	Very low	31.8	Very low	102 Å²	102	135.8 Å²	135.8	66%	0.662	74%	0.736	S	S	*	*			cis	-120.3	-124.4	-16.5	20.9	6.3	0	0	0	109.3
169	D	32.3	Very low	31.5	Very low	137 Å²	137	142.3 Å²	142.3	73%	0.733	75%	0.748	S	S	*	*			cis	-165.2	-177.4	-11	-143.8	-36.1	0	0	0	111.2
170	E	32.6	Very low	31.2	Very low	157 Å²	157	140 Å²	140	73%	0.734	75%	0.748	S	S	*	*			trans	66.8	142.8	156.4	-66.5	-164.1	178	0	0	119.8
171	L	34.1	Very low	31.1	Very low	138 Å²	138	139.9 Å²	139.9	72%	0.723	76%	0.755	S	S	*	*			cis	-156.4	171.5	-14.7	-122.1	171.6	0	0	0	112.6
172	F	27.9	Very low	30.7	Very low	176 Å²	176	138.5 Å²	138.5	77%	0.772	76%	0.761	S	S	*	*			trans	-61.9	147	173.4	-88	-133.5	0	0	0	114.3
173	N	32.9	Very low	30	Very low	154 Å²	154	141.3 Å²	141.3	82%	0.824	77%	0.768	S	S	*	*				163.2	168.1	120.3	-85.6	-38.5	0	0	0	110.5
174	A	26.2	Very low	30.5	Very low	78 Å²	78	139.2 Å²	139.2	65%	0.645	76%	0.762	S	S	*	*			cis	162.7	143	-36.9	0	0	0	0	0	107.3
175	F	27.3	Very low	30	Very low	194 Å²	194	138.8 Å²	138.8	85%	0.851	76%	0.764	S	S	*	*			trans	72.1	140.2	164	-110.5	-89.5	0	0	0	122.7
176	E	28.7	Very low	29.8	Very low	154 Å²	154	146.8 Å²	146.8	72%	0.72	78%	0.776	S	S	*	*			trans	-72.1	152	-175.3	-52.5	164.3	127.8	0	0	114.6
177	T	26.5	Very low	29.6	Very low	122 Å²	122	146.3 Å²	146.3	75%	0.748	77%	0.773	S	S	*	*				148.5	150.6	118.7	-60.8	0	0	0	0	115
178	S	26.7	Very low	29.5	Very low	103 Å²	103	141 Å²	141	72%	0.72	77%	0.765	S	S	*	*			trans	64.8	93	158.4	51.1	0	0	0	0	122.6
179	R	25.6	Very low	29.1	Very low	246 Å²	246	141.8 Å²	141.8	93%	0.928	77%	0.77	S	S	*	*				51.2	107.6	102.2	-153.3	175.3	-168	162.1	1.8	120.6
180	A	27.1	Very low	28.8	Very low	89 Å²	89	141.4 Å²	141.4	74%	0.736	77%	0.768	S	S	*	*			trans	72.4	120.4	138	0	0	0	0	0	122.6
181	L	27	Very low	28.6	Very low	176 Å²	176	139.3 Å²	139.3	92%	0.921	77%	0.771	S	S	*	*				-168.2	170	108.8	-134.7	80	0	0	0	111.8
182	G	24.5	Very low	28.3	Very low	73 Å²	73	143 Å²	143	75%	0.753	78%	0.775	S	S	*	*			trans	87.7	105.5	141.4	0	0	0	0	0	120.5
183	D	25.1	Very low	28.2	Very low	155 Å²	155	145.3 Å²	145.3	83%	0.829	78%	0.779	S	S	*	*			trans	-76.2	174.9	149.7	-148.6	36.9	0	0	0	108.6
184	P	41.2	Very low	28	Very low	91 Å²	91	142.5 Å²	142.5	59%	0.591	77%	0.771	S	S	*	*			cis	-149.9	-173.6	15.1	48.5	-28.8	0	0	0	119
185	L	25.8	Very low	28	Very low	149 Å²	149	147.8 Å²	147.8	78%	0.78	78%	0.779	S	S	*	*			trans	64.2	124.3	156.2	-65.8	177.5	0	0	0	120.7
186	Y	29.6	Very low	28	Very low	233 Å²	233	144.9 Å²	144.9	91%	0.914	78%	0.778	S	S	*	*				-154.5	167	121	-123.5	-85.4	0	0	0	111.8
187	L	26.3	Very low	27.8	Very low	150 Å²	150	142.8 Å²	142.8	79%	0.785	78%	0.776	S	S	*	*			trans	-100.8	149.1	-163.8	-76.3	153.7	0	0	0	115.6
188	A	24.2	Very low	28	Very low	85 Å²	85	145.2 Å²	145.2	70%	0.702	78%	0.783	S	S	*	*				13.7	164.6	129.8	0	0	0	0	0	120.9
189	P	39.6	Very low	28	Very low	117 Å²	117	146.7 Å²	146.7	76%	0.76	78%	0.783	S	S	*	*			cis	-135.8	-153.5	19.4	38.9	-14.8	0	0	0	112.2
190	N	26.2	Very low	28.3	Very low	129 Å²	129	142.7 Å²	142.7	69%	0.69	78%	0.778	S	S	*	*			cis	-161.3	149.6	2.7	-154.8	-34.7	0	0	0	110.5
191	S	28.2	Very low	28.3	Very low	113 Å²	113	147.6 Å²	147.6	79%	0.79	79%	0.786	S	S	*	*				-177.6	96.9	124.8	-164.2	0	0	0	0	113.6
192	R	27.3	Very low	28.5	Very low	215 Å²	215	146.2 Å²	146.2	81%	0.811	78%	0.78	S	S	*	*			trans	24	140.1	146.6	-72.2	-179.2	166.5	177.1	-3.5	124.1
193	R	26.5	Very low	29.1	Very low	226 Å²	226	147.9 Å²	147.9	85%	0.853	78%	0.777	S	S	*	*			trans	80.1	114	161.2	-67.7	177	174.1	175.3	-2.4	115.4
194	S	27.6	Very low	29.2	Very low	94 Å²	94	148.5 Å²	148.5	66%	0.657	78%	0.78	S	S	*	*			cis	73.7	133.8	48	-49.4	0	0	0	0	112.5
195	F	26.3	Very low	28.8	Very low	189 Å²	189	151.7 Å²	151.7	83%	0.829	79%	0.791	S	S	*	*			cis	-123.7	-170	14.4	-56.6	-93.1	0	0	0	110.3
196	T	27.3	Very low	29.3	Very low	134 Å²	134	150.3 Å²	150.3	82%	0.822	79%	0.791	S	S	*	*			cis	-153.6	171	12.1	-34.4	0	0	0	0	110.3
197	T	25.7	Very low	29.9	Very low	110 Å²	110	144.9 Å²	144.9	68%	0.675	78%	0.784	S	S	*	*			trans	-91.3	161.4	173.4	35.1	0	0	0	0	114.2
198	L	30.7	Very low	30.5	Very low	173 Å²	173	143 Å²	143	91%	0.906	78%	0.781	S	S	*	*				-166.9	129.9	117.6	-101.8	175	0	0	0	111.3
199	D	26	Very low	30.6	Very low	134 Å²	134	145.2 Å²	145.2	72%	0.717	79%	0.786	S	S	*	*			trans	-102.2	150.4	-178.6	-47.8	-95.3	0	0	0	111.7
200	I	32.6	Very low	30.2	Very low	161 Å²	161	145.1 Å²	145.1	83%	0.826	79%	0.788	S	S	*	*			trans	-141.8	107.5	149.2	-60.3	-172.9	0	0	0	110.2
201	E	25.9	Very low	30.3	Very low	193 Å²	193	146.9 Å²	146.9	90%	0.902	80%	0.797	S	S	*	*			trans	34	154.3	140.1	-55.3	-168.9	130.8	0	0	124.6
202	N	31.2	Very low	30.5	Very low	147 Å²	147	148.6 Å²	148.6	79%	0.786	80%	0.796	S	S	*	*			trans	-152.1	142.7	-178.6	176.7	33.1	0	0	0	108.7
203	P	37.5	Very low	31	Very low	108 Å²	108	145.2 Å²	145.2	70%	0.701	80%	0.799	S	S	*	*			trans	-147.8	117.8	151.2	33.8	-14.7	0	0	0	118
204	L	28.4	Very low	31.1	Very low	167 Å²	167	142.6 Å²	142.6	87%	0.874	80%	0.797	S	S	*	*				66.2	166.3	126.5	-65.6	167.5	0	0	0	122.9
205	L	33	Very low	31.3	Very low	159 Å²	159	143.1 Å²	143.1	83%	0.832	80%	0.8	S	S	*	*			trans	-105.8	165.8	-164.6	-68.8	155.5	0	0	0	113.3
206	P	34.8	Very low	31.5	Very low	120 Å²	120	140.3 Å²	140.3	78%	0.779	80%	0.801	S	S	*	*				-147	166.6	102.2	37.4	-21.2	0	0	0	116.8
207	P	42.5	Very low	31.8	Very low	119 Å²	119	141.2 Å²	141.2	77%	0.773	80%	0.8	S	S	*	*			trans	-92.9	171	174	42.8	-39.2	0	0	0	112.1
208	P	38.7	Very low	32.5	Very low	110 Å²	110	141.1 Å²	141.1	71%	0.714	80%	0.801	S	S	*	*				-155.7	170.9	62.9	44	-22	0	0	0	120.4
209	T	27.5	Very low	32.8	Very low	131 Å²	131	138.9 Å²	138.9	80%	0.804	80%	0.797	S	S	*	*			trans	25.7	129.8	149.6	57.9	0	0	0	0	123.3
210	S	29.3	Very low	33.2	Very low	115 Å²	115	138 Å²	138	80%	0.804	79%	0.792	S	S	*	*				-169	145.5	119.7	42	0	0	0	0	112.1
211	D	29.6	Very low	33.5	Very low	166 Å²	166	134.7 Å²	134.7	89%	0.888	78%	0.781	S	S	*	*			trans	-82	131.3	178.8	-67.5	-79.1	0	0	0	112.9
212	I	31.9	Very low	34.1	Very low	150 Å²	150	133 Å²	133	77%	0.769	77%	0.771	S	S	*	*			trans	-135.5	125.3	158.7	-62.4	-176.2	0	0	0	109.1	Q214	I212-Q214 PolarHBondContact O-N 3.11Å
213	V	37.7	Very low	34.2	Very low	144 Å²	144	130.4 Å²	130.4	87%	0.873	77%	0.765	S	S	*	*			trans	-71.7	123.8	175.6	177.4	0	0	0	0	110.1
214	Q	29.7	Very low	34.4	Very low	171 Å²	171	131.3 Å²	131.3	80%	0.799	76%	0.758	S	S	*	*			trans	-119.8	139.7	163.8	-75.4	-167.2	-18	0	0	111.2	I212	I212-Q214 PolarHBondContact O-N 3.11Å
215	S	30.9	Very low	35.1	Very low	104 Å²	104	127.9 Å²	127.9	73%	0.727	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-73.1	155.8	175.3	46.4	0	0	0	0	111.7	L217	S215-L217 PolarHBondContact O-N 3.16Å
216	P	31.5	Very low	35.6	Very low	130 Å²	130	125.5 Å²	125.5	84%	0.844	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-61.4	124.4	-179.3	-23.3	34.2	0	0	0	112.9
217	L	33.8	Very low	36.1	Very low	154 Å²	154	125.5 Å²	125.5	81%	0.806	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-65.6	150.8	166.6	-76.2	163.4	0	0	0	110.7	S215	S215-L217 PolarHBondContact O-N 3.16Å
218	P	39.3	Very low	36.5	Very low	108 Å²	108	120.9 Å²	120.9	70%	0.701	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-65.4	148.9	175.5	28.6	-35	0	0	0	111.5
219	P	36.3	Very low	36.9	Very low	125 Å²	125	119.7 Å²	119.7	81%	0.812	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-65.5	137.9	-178.6	26.8	-34.4	0	0	0	112
220	N	34.3	Very low	38.3	Very low	115 Å²	115	117.2 Å²	117.2	62%	0.615	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-67.7	123.7	-173.1	-161	9.6	0	0	0	111.5	F222	N220-F222 PolarHBondContact O-N 3.45Å; N220-F222 VanDerWaalsContact O-N 3.15Å; N220-F222 WeakPolarHBondContact OD1-CD2 3.49Å
221	P	40.2	Very low	40.3	Very low	93 Å²	93	114.9 Å²	114.9	60%	0.604	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-69.3	-14.9	-169.5	25.3	-35.6	0	0	0	115.3	S223	P221-S223 VanDerWaalsContact C-N 3.31Å; P221-S223 PolarHBondContact O-N 3.43Å
222	F	39	Very low	42.7	Very low	156 Å²	156	110 Å²	110	68%	0.684	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-72.9	-13.2	-170.4	-66.6	-81.7	0	0	0	115.5	N220 T225	N220-F222 PolarHBondContact O-N 3.45Å; N220-F222 VanDerWaalsContact O-N 3.15Å; N220-F222 WeakPolarHBondContact OD1-CD2 3.49Å; F222-T225 PolarHBondContact O-OG1 3.08Å
223	S	32.2	Very low	45.2	Very low	93 Å²	93	103.8 Å²	103.8	65%	0.65	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-80.8	-12.5	-177.6	-55.7	0	0	0	0	115	P221	P221-S223 VanDerWaalsContact C-N 3.31Å; P221-S223 PolarHBondContact O-N 3.43Å
224	F	41.7	Very low	47.5	Very low	127 Å²	127	98.8 Å²	98.8	56%	0.557	59%	0.586	S	S	*	*	S	Bend	trans	-96.6	-22.7	-174.5	-99.7	-90.5	0	0	0	115.1	S226 L227	F224-S226 VanDerWaalsContact C-N 3.3Å; F224-S226 PolarHBondContact O-N 3.23Å; F224-L227 PolarHBondContact O-N 3.36Å; F224-L227 VanDerWaalsContact O-N 3.15Å
225	T	43.7	Very low	50.2	Low	95 Å²	95	95 Å²	95	58%	0.583	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-64.3	-30.9	-174.3	48.9	0	0	0	0	113.6	F222 L227 T228	F222-T225 PolarHBondContact O-OG1 3.08Å; T225-L227 VanDerWaalsContact C-N 3.28Å; T225-L227 PolarHBondContact O-N 3.13Å; T225-T228 PolarHBondContact O-OG1 3.49Å; T225-T228 VanDerWaalsContact O-OG1 3.06Å
226	S	43	Very low	52.9	Low	110 Å²	110	90.2 Å²	90.2	77%	0.769	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-69.4	-21.6	177.5	-169.1	0	0	0	0	113.6	F224	F224-S226 VanDerWaalsContact C-N 3.3Å; F224-S226 PolarHBondContact O-N 3.23Å
227	L	45.4	Very low	55.5	Low	119 Å²	119	84 Å²	84	62%	0.623	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-94.6	-3.2	-174.3	-78.8	158.4	0	0	0	114.4	F224 T225 K231	F224-L227 PolarHBondContact O-N 3.36Å; F224-L227 VanDerWaalsContact O-N 3.15Å; T225-L227 VanDerWaalsContact C-N 3.28Å; T225-L227 PolarHBondContact O-N 3.13Å; L227-K231 VanDerWaalsContact O-CE 3.29Å; L227-K231 WeakPolarHBondContact O-CE 3.47Å
228	T	51.3	Low	58.1	Low	23 Å²	23	80.3 Å²	80.3	14%	0.141	48%	0.476	C	S	.	.			trans	-104.2	-16	-172.7	44.1	0	0	0	0	115.6	T225 G230 K231 I236	T225-T228 PolarHBondContact O-OG1 3.49Å; T225-T228 VanDerWaalsContact O-OG1 3.06Å; T228-G230 PolarHBondContact O-N 2.83Å; T228-K231 WeakPolarHBondContact O-CB 3.47Å; T228-K231 PolarHBondContact O-N 3.17Å; T228-K231 VanDerWaalsContact O-N 3.16Å; T228-I236 HydrophobicContact CG2-CD1 4.25Å; T228-I236 HydrophobicContact CG2-CG1 4.48Å; T228-I236 HydrophobicContact CG2-CG2 4.11Å
229	S	46.8	Very low	60.5	Low	84 Å²	84	79.6 Å²	79.6	59%	0.587	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	137.1	-176.8	-169.2	0	0	0	0	111.8	K231 D299	S229-K231 PolarHBondContact O-N 3.39Å; S229-K231 VanDerWaalsContact O-N 3.11Å; S229-D299 WeakPolarHBondContact CA-OD2 3.34Å; S229-D299 WeakPolarHBondContact CB-OD2 3.32Å; S229-D299 PolarHBondContact OG-OD2 3.09Å
230	G	57.3	Low	62.7	Low	79 Å²	79	76.4 Å²	76.4	81%	0.814	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	-11.4	-176	0	0	0	0	0	116.7	T228	T228-G230 PolarHBondContact O-N 2.83Å
231	K	70.3	Confident	65.1	Low	66 Å²	66	75.7 Å²	75.7	29%	0.287	43%	0.428	S	S	.	.			trans	-71.4	145.8	176.6	-69.8	-166.8	179.1	-164.4	0	111.7	L227 T228 S229 M235 I236 E239	L227-K231 VanDerWaalsContact O-CE 3.29Å; L227-K231 WeakPolarHBondContact O-CE 3.47Å; T228-K231 WeakPolarHBondContact O-CB 3.47Å; T228-K231 PolarHBondContact O-N 3.17Å; T228-K231 VanDerWaalsContact O-N 3.16Å; S229-K231 PolarHBondContact O-N 3.39Å; S229-K231 VanDerWaalsContact O-N 3.11Å; K231-M235 HydrophobicContact CB-CE 4Å; K231-M235 HydrophobicContact CD-CE 3.76Å; K231-M235 HydrophobicContact CG-CE 3.72Å; K231-I236 HydrophobicContact CB-CD1 3.85Å; K231-I236 HydrophobicContact CB-CG1 3.57Å; K231-I236 HydrophobicContact CD-CG1 4.22Å; K231-E239 IonicContact NZ-OE1 2.64Å; K231-E239 PolarHBondContact NZ-OE1 2.96Å; K231-E239 IonicContact NZ-OE2 2.73Å; K231-E239 PolarHBondContact NZ-OE2 2.96Å
232	N	80.9	Confident	67.4	Low	65 Å²	65	76.3 Å²	76.3	35%	0.348	43%	0.432	S	S	.	.			trans	-73.1	136.8	176.1	-168.9	-84.3	0	0	0	110.7	V234 M235 I236	N232-V234 VanDerWaalsContact C-N 3.26Å; N232-V234 PolarHBondContact O-N 3.12Å; N232-V234 VanDerWaalsContact O-N 3.17Å; N232-V234 WeakPolarHBondContact OD1-CB 3.32Å; N232-V234 WeakPolarHBondContact OD1-CG2 3.44Å; N232-V234 PolarHBondContact OD1-N 3.31Å; N232-V234 VanDerWaalsContact OD1-N 3.14Å; N232-M235 HydrophobicContact CB-CB 4.27Å; N232-M235 WeakPolarHBondContact O-CA 3.49Å; N232-M235 WeakPolarHBondContact O-CB 3.22Å; N232-M235 PolarHBondContact O-N 3.46Å; N232-I236 PolarHBondContact O-N 3.14Å
233	P	83.7	Confident	69.5	Low	19 Å²	19	71.9 Å²	71.9	12%	0.123	43%	0.43	C	S	.	.	H	α-helix	trans	-60.3	-29.9	-177.9	21.2	-33.9	0	0	0	114.4	M235 L237 A283 A286 Q287 L290 P298	P233-M235 PolarHBondContact O-N 2.96Å; P233-L237 WeakPolarHBondContact O-CB 3.26Å; P233-L237 PolarHBondContact O-N 2.94Å; P233-A283 HydrophobicContact CG-CB 4.07Å; P233-A283 WeakPolarHBondContact CG-O 3.23Å; P233-A286 HydrophobicContact CB-CB 4.28Å; P233-Q287 HydrophobicContact CB-CB 4.27Å; P233-L290 HydrophobicContact CB-CD1 3.91Å; P233-L290 WeakPolarHBondContact O-CD1 3.26Å; P233-P298 HydrophobicContact CB-CG 4.11Å
234	V	86.9	Confident	72.1	Confident	38 Å²	38	69.1 Å²	69.1	23%	0.23	41%	0.408	C	S	.	.	H	α-helix	trans	-64.8	-31.9	172.8	-174.1	0	0	0	0	111.4	N232 N238 Y246 K282 A283 A286	N232-V234 VanDerWaalsContact C-N 3.26Å; N232-V234 PolarHBondContact O-N 3.12Å; N232-V234 VanDerWaalsContact O-N 3.17Å; N232-V234 WeakPolarHBondContact OD1-CB 3.32Å; N232-V234 WeakPolarHBondContact OD1-CG2 3.44Å; N232-V234 PolarHBondContact OD1-N 3.31Å; N232-V234 VanDerWaalsContact OD1-N 3.14Å; V234-N238 VanDerWaalsContact O-CB 3.3Å; V234-N238 WeakPolarHBondContact O-CB 3.36Å; V234-N238 PolarHBondContact O-N 2.88Å; V234-Y246 HydrophobicContact CG1-CE2 4.31Å; V234-K282 HydrophobicContact CG2-CB 4.21Å; V234-A283 VanDerWaalsContact CG2-CA 3.46Å; V234-A283 HydrophobicContact CG2-CB 3.94Å; V234-A286 HydrophobicContact CG2-CB 4.19Å
235	M	86.4	Confident	74.2	Confident	93 Å²	93	71.3 Å²	71.3	46%	0.458	42%	0.417	S	S	.	.	H	α-helix	trans	-76.9	-50.6	179.4	-161.3	171.8	84.6	0	0	110.4	K231 N232 P233 L237 N238 E239	K231-M235 HydrophobicContact CB-CE 4Å; K231-M235 HydrophobicContact CD-CE 3.76Å; K231-M235 HydrophobicContact CG-CE 3.72Å; N232-M235 HydrophobicContact CB-CB 4.27Å; N232-M235 WeakPolarHBondContact O-CA 3.49Å; N232-M235 WeakPolarHBondContact O-CB 3.22Å; N232-M235 PolarHBondContact O-N 3.46Å; P233-M235 PolarHBondContact O-N 2.96Å; M235-L237 VanDerWaalsContact C-N 3.32Å; M235-L237 PolarHBondContact O-N 3.37Å; M235-N238 CarbonylContact O-C 3.53Å; M235-N238 PolarHBondContact O-N 3.36Å; M235-N238 VanDerWaalsContact O-N 3.07Å; M235-E239 WeakPolarHBondContact O-CG 3.47Å; M235-E239 PolarHBondContact O-N 2.88Å
236	I	86	Confident	76.4	Confident	2 Å²	2	68.1 Å²	68.1	1%	0.01	39%	0.394	C	S	.	.	H	α-helix	trans	-54.9	-48	176.2	-56.1	169.3	0	0	0	110.4	T228 K231 N232 N238 E239 M240 L290 P298	T228-I236 HydrophobicContact CG2-CD1 4.25Å; T228-I236 HydrophobicContact CG2-CG1 4.48Å; T228-I236 HydrophobicContact CG2-CG2 4.11Å; K231-I236 HydrophobicContact CB-CD1 3.85Å; K231-I236 HydrophobicContact CB-CG1 3.57Å; K231-I236 HydrophobicContact CD-CG1 4.22Å; N232-I236 PolarHBondContact O-N 3.14Å; I236-N238 VanDerWaalsContact C-N 3.31Å; I236-N238 PolarHBondContact O-N 2.94Å; I236-E239 WeakPolarHBondContact O-CB 3.49Å; I236-E239 PolarHBondContact O-N 2.9Å; I236-M240 WeakPolarHBondContact O-CG 3.41Å; I236-M240 PolarHBondContact O-N 2.93Å; I236-L290 HydrophobicContact CB-CD1 3.95Å; I236-L290 HydrophobicContact CB-CD2 4.5Å; I236-L290 HydrophobicContact CG2-CD1 4.05Å; I236-L290 HydrophobicContact CG2-CD2 3.86Å; I236-P298 HydrophobicContact CD1-CB 4.17Å
237	L	87.3	Confident	78.7	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-65.9	-32	-179.9	-174.8	60.8	0	0	0	113	P233 M235 R241 L244 V266 A286 A289 L290 F294	P233-L237 WeakPolarHBondContact O-CB 3.26Å; P233-L237 PolarHBondContact O-N 2.94Å; M235-L237 VanDerWaalsContact C-N 3.32Å; M235-L237 PolarHBondContact O-N 3.37Å; L237-R241 PolarHBondContact O-N 2.77Å; L237-L244 HydrophobicContact CD1-CD1 4.12Å; L237-L244 HydrophobicContact CD2-CD1 4Å; L237-L244 HydrophobicContact CG-CD1 3.64Å; L237-V266 HydrophobicContact CD1-CG1 4.38Å; L237-V266 HydrophobicContact CD1-CG2 4.49Å; L237-V266 HydrophobicContact CD2-CG2 4.2Å; L237-A286 HydrophobicContact CB-CB 4.25Å; L237-A286 HydrophobicContact CD2-CB 3.76Å; L237-A289 HydrophobicContact CD1-CB 4.35Å; L237-A289 HydrophobicContact CD2-CB 3.85Å; L237-L290 HydrophobicContact CB-CD1 4.22Å; L237-L290 HydrophobicContact CB-CD2 4.1Å; L237-L290 HydrophobicContact CB-CG 4.08Å; L237-L290 HydrophobicContact CD1-CD2 4.02Å; L237-L290 HydrophobicContact CD1-CG 4.28Å; L237-F294 HydrophobicContact CD1-CE2 4.05Å
238	N	88.7	Confident	80.8	Confident	76 Å²	76	64.8 Å²	64.8	41%	0.406	37%	0.371	S	S	.	.	H	α-helix	trans	-81.5	-20.4	175.4	-172.6	91.5	0	0	0	113.2	V234 M235 I236 P242	V234-N238 VanDerWaalsContact O-CB 3.3Å; V234-N238 WeakPolarHBondContact O-CB 3.36Å; V234-N238 PolarHBondContact O-N 2.88Å; M235-N238 CarbonylContact O-C 3.53Å; M235-N238 PolarHBondContact O-N 3.36Å; M235-N238 VanDerWaalsContact O-N 3.07Å; I236-N238 VanDerWaalsContact C-N 3.31Å; I236-N238 PolarHBondContact O-N 2.94Å; N238-P242 WeakPolarHBondContact O-CA 3.43Å
239	E	88.1	Confident	82.4	Confident	93 Å²	93	67.4 Å²	67.4	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-69.4	-46	165.9	-71.3	170.8	-175.1	0	0	109.9	K231 M235 I236	K231-E239 IonicContact NZ-OE1 2.64Å; K231-E239 PolarHBondContact NZ-OE1 2.96Å; K231-E239 IonicContact NZ-OE2 2.73Å; K231-E239 PolarHBondContact NZ-OE2 2.96Å; M235-E239 WeakPolarHBondContact O-CG 3.47Å; M235-E239 PolarHBondContact O-N 2.88Å; I236-E239 WeakPolarHBondContact O-CB 3.49Å; I236-E239 PolarHBondContact O-N 2.9Å
240	M	83.9	Confident	84	Confident	59 Å²	59	65.9 Å²	65.9	29%	0.291	38%	0.376	S	S	.	.	H	α-helix	trans	-72.7	-33.2	179.3	-64.1	-63.5	-74.6	0	0	114.1	I236 F294	I236-M240 WeakPolarHBondContact O-CG 3.41Å; I236-M240 PolarHBondContact O-N 2.93Å; M240-F294 HydrophobicContact CB-CE1 4.45Å; M240-F294 HydrophobicContact CB-CZ 4.29Å; M240-F294 HydrophobicContact CE-CD1 3.55Å; M240-F294 HydrophobicContact CE-CE1 3.7Å; M240-F294 HydrophobicContact CE-CG 4.37Å
241	R	85.1	Confident	85.2	Confident	100 Å²	100	66.3 Å²	66.3	38%	0.377	36%	0.357	S	S	.	.	S	Bend	trans	-141.6	85.3	-179.1	-70.2	-67.3	-173.1	-103.7	3	110.4	L237 L244 V266 D267 F294	L237-R241 PolarHBondContact O-N 2.77Å; R241-L244 HydrophobicContact CB-CD1 3.67Å; R241-L244 HydrophobicContact CB-CG 4.04Å; R241-L244 WeakPolarHBondContact O-CD1 3.4Å; R241-L244 WeakPolarHBondContact O-CG 3.27Å; R241-V266 HydrophobicContact CG-CG1 4.16Å; R241-D267 IonicContact CZ-OD1 3.89Å; R241-D267 IonicContact CZ-OD2 3.28Å; R241-D267 VanDerWaalsContact CZ-OD2 3.28Å; R241-D267 IonicContact NE-OD1 2.95Å; R241-D267 PolarHBondContact NE-OD1 3.41Å; R241-D267 IonicContact NE-OD2 3.05Å; R241-D267 PolarHBondContact NE-OD2 3.04Å; R241-D267 IonicContact NH2-OD1 3.94Å; R241-D267 IonicContact NH2-OD2 2.69Å; R241-D267 PolarHBondContact NH2-OD2 3.28Å; R241-F294 HydrophobicContact CG-CZ 4.18Å
242	P	86.8	Confident	85	Confident	106 Å²	106	66 Å²	66	69%	0.688	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	143.1	177.6	-24.9	34.9	0	0	0	113.2	N238	N238-P242 WeakPolarHBondContact O-CA 3.43Å
243	G	83.1	Confident	84.1	Confident	63 Å²	63	65.6 Å²	65.6	65%	0.649	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	3.3	170.6	0	0	0	0	0	116.2	K245	G243-K245 PolarHBondContact O-N 2.94Å
244	L	87.2	Confident	82.9	Confident	35 Å²	35	68.5 Å²	68.5	18%	0.183	39%	0.387	C	S	.	.			trans	-57	133.1	177.7	-73.9	172.3	0	0	0	113.3	L237 R241 Y246 V264 T265 V266	L237-L244 HydrophobicContact CD1-CD1 4.12Å; L237-L244 HydrophobicContact CD2-CD1 4Å; L237-L244 HydrophobicContact CG-CD1 3.64Å; R241-L244 HydrophobicContact CB-CD1 3.67Å; R241-L244 HydrophobicContact CB-CG 4.04Å; R241-L244 WeakPolarHBondContact O-CD1 3.4Å; R241-L244 WeakPolarHBondContact O-CG 3.27Å; L244-Y246 HydrophobicContact CB-CE2 4.46Å; L244-V264 HydrophobicContact CB-CG2 4.19Å; L244-V264 HydrophobicContact CD1-CG2 4.42Å; L244-V264 HydrophobicContact CD2-CG2 4.43Å; L244-T265 VanDerWaalsContact CD2-O 3.24Å; L244-T265 WeakPolarHBondContact CD2-O 3.36Å; L244-V266 HydrophobicContact CD1-CG1 4.36Å; L244-V266 HydrophobicContact CD1-CG2 3.88Å; L244-V266 HydrophobicContact CD2-CB 4.43Å; L244-V266 HydrophobicContact CD2-CG1 4.43Å; L244-V266 HydrophobicContact CD2-CG2 3.97Å
245	K	86.6	Confident	81.3	Confident	172 Å²	172	72.1 Å²	72.1	75%	0.748	41%	0.413	S	S	*	.			trans	-102.3	133.7	178.5	-67.3	176.5	-174.5	166.9	0	110.7	G243	G243-K245 PolarHBondContact O-N 2.94Å
246	Y	90.4	Very high	79.8	Confident	29 Å²	29	73 Å²	73	11%	0.114	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	116.2	-179.5	-67.7	-103.8	0	0	0	110.1	V234 L244 M262 S263 V264 K282 A286	V234-Y246 HydrophobicContact CG1-CE2 4.31Å; L244-Y246 HydrophobicContact CB-CE2 4.46Å; Y246-M262 WeakPolarHBondContact O-CE 3.45Å; Y246-S263 CarbonylContact C-O 3.58Å; Y246-S263 VanDerWaalsContact CA-O 3.26Å; Y246-S263 WeakPolarHBondContact CA-O 3.19Å; Y246-V264 HydrophobicContact CD1-CB 3.69Å; Y246-V264 HydrophobicContact CD1-CG1 4.4Å; Y246-V264 HydrophobicContact CD1-CG2 4.04Å; Y246-V264 HydrophobicContact CD2-CG2 4.39Å; Y246-V264 HydrophobicContact CE1-CB 3.76Å; Y246-V264 HydrophobicContact CE1-CG1 4.08Å; Y246-V264 HydrophobicContact CE1-CG2 3.91Å; Y246-V264 HydrophobicContact CE2-CG2 4.24Å; Y246-V264 HydrophobicContact CG-CB 4.28Å; Y246-V264 HydrophobicContact CG-CG2 4.29Å; Y246-K282 VanDerWaalsContact CB-CE 3.5Å; Y246-K282 HydrophobicContact CD1-CB 3.86Å; Y246-K282 HydrophobicContact CD1-CD 4.07Å; Y246-K282 HydrophobicContact CD1-CG 3.57Å; Y246-K282 HydrophobicContact CD2-CD 4.28Å; Y246-K282 HydrophobicContact CE1-CB 4.05Å; Y246-K282 HydrophobicContact CE1-CG 4.25Å; Y246-K282 HydrophobicContact CG-CB 4.47Å; Y246-K282 HydrophobicContact CG-CD 3.82Å; Y246-K282 HydrophobicContact CG-CG 3.8Å; Y246-A286 HydrophobicContact CE1-CB 4.27Å; Y246-A286 WeakPolarHBondContact OH-CB 3.38Å
247	N	90.6	Very high	78.5	Confident	97 Å²	97	75.6 Å²	75.6	52%	0.519	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	141.5	-177.1	-64	-28.7	0	0	0	110.7	M262 S263	N247-M262 VanDerWaalsContact C-CE 3.42Å; N247-M262 CarbonylContact O-C 3.48Å; N247-M262 VanDerWaalsContact O-CA 3.29Å; N247-M262 WeakPolarHBondContact O-CA 3.4Å; N247-M262 WeakPolarHBondContact O-CE 3.49Å; N247-S263 PolarHBondContact N-O 3.38Å; N247-S263 PolarHBondContact O-N 3.22Å
248	T	88.4	Confident	77.6	Confident	61 Å²	61	78.8 Å²	78.8	37%	0.374	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.4	169.4	-54.7	0	0	0	0	108.3	M262	T248-M262 HydrophobicContact CG2-SD 4.11Å; T248-M262 PolarHBondContact OG1-SD 3.33Å
249	V	86.9	Confident	76.9	Confident	79 Å²	79	77.1 Å²	77.1	48%	0.479	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-44.3	178.8	-177	0	0	0	0	110.6	V261 S263	V249-V261 HydrophobicContact CB-CG1 4.39Å; V249-V261 PolarHBondContact N-O 3.07Å; V249-S263 WeakPolarHBondContact CG2-OG 3.47Å
250	S	80	Confident	76.6	Confident	52 Å²	52	74 Å²	74	36%	0.364	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	159.7	176.3	63.6	0	0	0	0	112.4	V261	S250-V261 PolarHBondContact N-O 3.17Å; S250-V261 PolarHBondContact O-N 3.4Å; S250-V261 WeakPolarHBondContact OG-CB 3.4Å; S250-V261 VanDerWaalsContact OG-CG2 3.25Å; S250-V261 WeakPolarHBondContact OG-CG2 3.2Å
251	E	82.8	Confident	76.6	Confident	87 Å²	87	72 Å²	72	41%	0.407	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	108	177.5	-177.5	170.7	145.8	0	0	106.7	K258 F260 K278	E251-K258 HydrophobicContact CG-CD 4.13Å; E251-K258 WeakPolarHBondContact OE1-CD 3.17Å; E251-K258 IonicContact OE1-NZ 3.14Å; E251-K258 PolarHBondContact OE1-NZ 3.35Å; E251-F260 HydrophobicContact CB-CD1 4.21Å; E251-F260 HydrophobicContact CG-CD1 3.63Å; E251-F260 HydrophobicContact CG-CE1 3.56Å; E251-F260 HydrophobicContact CG-CZ 4.4Å; E251-F260 VanDerWaalsContact OE2-CE1 3.22Å; E251-F260 WeakPolarHBondContact OE2-CE1 3.45Å; E251-K278 VanDerWaalsContact OE2-CE 3.31Å; E251-K278 WeakPolarHBondContact OE2-CE 3.41Å; E251-K278 IonicContact OE2-NZ 2.68Å; E251-K278 PolarHBondContact OE2-NZ 2.85Å
252	S	65.3	Low	76.8	Confident	59 Å²	59	67.3 Å²	67.3	41%	0.413	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	162.2	-170.6	61.9	0	0	0	0	112.1	K258 N259	S252-K258 CarbonylContact O-C 3.59Å; S252-K258 WeakPolarHBondContact O-CA 3.44Å; S252-N259 PolarHBondContact N-O 3.26Å; S252-N259 PolarHBondContact O-N 2.85Å
253	G	62.8	Low	77	Confident	58 Å²	58	62.7 Å²	62.7	60%	0.598	37%	0.371	S	S	*	.	S	Bend	trans	82.2	169.6	-177.2	0	0	0	0	0	114.5
254	E	58.1	Low	77.5	Confident	80 Å²	80	59.7 Å²	59.7	37%	0.374	34%	0.34	S	S	.	.			trans	-65.2	157.2	-173.2	-60.7	172.8	-114.5	0	0	113.4	H256 A257 K258	E254-H256 PolarHBondContact O-N 3.06Å; E254-H256 IonicContact OE2-CE1 3.31Å; E254-H256 PolarHBondContact OE2-CE1 3.28Å; E254-H256 IonicContact OE2-ND1 2.73Å; E254-H256 IonicContact OE2-NE2 2.96Å; E254-A257 HydrophobicContact CB-CB 4.43Å; E254-A257 CarbonylContact O-C 3.59Å; E254-A257 PolarHBondContact O-N 3.06Å; E254-K258 WeakPolarHBondContact O-CG 3.47Å; E254-K258 PolarHBondContact O-N 3.41Å
255	S	52.9	Low	77.6	Confident	113 Å²	113	61.4 Å²	61.4	79%	0.79	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-20.8	-178.3	-61.9	0	0	0	0	116.2
256	H	55.2	Low	77.6	Confident	113 Å²	113	53.3 Å²	53.3	52%	0.523	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	3.2	178.7	62.6	-76.1	0	0	0	114	E254 Q594	E254-H256 PolarHBondContact O-N 3.06Å; E254-H256 IonicContact OE2-CE1 3.31Å; E254-H256 PolarHBondContact OE2-CE1 3.28Å; E254-H256 IonicContact OE2-ND1 2.73Å; E254-H256 IonicContact OE2-NE2 2.96Å; H256-Q594 PolarHBondContact O-NE2 2.56Å
257	A	58.4	Low	77.2	Confident	55 Å²	55	55.7 Å²	55.7	46%	0.455	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	17.3	178.3	0	0	0	0	0	113.2	E254 N259	E254-A257 HydrophobicContact CB-CB 4.43Å; E254-A257 CarbonylContact O-C 3.59Å; E254-A257 PolarHBondContact O-N 3.06Å; A257-N259 PolarHBondContact O-N 2.9Å
258	K	67.4	Low	76.8	Confident	68 Å²	68	56.1 Å²	56.1	30%	0.296	35%	0.349	S	S	.	.			trans	-54.5	122.5	-174.1	-70.9	-162.1	161	-173.3	0	113.4	E251 S252 E254 F260 R276	E251-K258 HydrophobicContact CG-CD 4.13Å; E251-K258 WeakPolarHBondContact OE1-CD 3.17Å; E251-K258 IonicContact OE1-NZ 3.14Å; E251-K258 PolarHBondContact OE1-NZ 3.35Å; S252-K258 CarbonylContact O-C 3.59Å; S252-K258 WeakPolarHBondContact O-CA 3.44Å; E254-K258 WeakPolarHBondContact O-CG 3.47Å; E254-K258 PolarHBondContact O-N 3.41Å; K258-F260 HydrophobicContact CB-CD2 4.29Å; K258-F260 HydrophobicContact CB-CE2 3.57Å; K258-F260 HydrophobicContact CB-CZ 3.82Å; K258-F260 HydrophobicContact CD-CE1 4.5Å; K258-F260 HydrophobicContact CD-CZ 4.01Å; K258-R276 CarbonylContact O-C 3.34Å; K258-R276 WeakPolarHBondContact O-CA 3.31Å
259	N	73.8	Confident	76.6	Confident	40 Å²	40	58 Å²	58	21%	0.214	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.5	164.5	-166.1	6.8	0	0	0	109.2	S252 A257 G275	S252-N259 PolarHBondContact N-O 3.26Å; S252-N259 PolarHBondContact O-N 2.85Å; A257-N259 PolarHBondContact O-N 2.9Å; N259-G275 PolarHBondContact OD1-N 3Å; N259-G275 PolarHBondContact OD1-O 3.17Å
260	F	81.8	Confident	76.6	Confident	28 Å²	28	59 Å²	59	12%	0.123	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.6	176.1	-58.3	-97.1	0	0	0	108.1	E251 K258 S274 G275 K278 A281	E251-F260 HydrophobicContact CB-CD1 4.21Å; E251-F260 HydrophobicContact CG-CD1 3.63Å; E251-F260 HydrophobicContact CG-CE1 3.56Å; E251-F260 HydrophobicContact CG-CZ 4.4Å; E251-F260 VanDerWaalsContact OE2-CE1 3.22Å; E251-F260 WeakPolarHBondContact OE2-CE1 3.45Å; K258-F260 HydrophobicContact CB-CD2 4.29Å; K258-F260 HydrophobicContact CB-CE2 3.57Å; K258-F260 HydrophobicContact CB-CZ 3.82Å; K258-F260 HydrophobicContact CD-CE1 4.5Å; K258-F260 HydrophobicContact CD-CZ 4.01Å; F260-S274 CarbonylContact O-C 3.57Å; F260-S274 WeakPolarHBondContact O-CA 3.35Å; F260-G275 PolarHBondContact N-O 3.07Å; F260-G275 PolarHBondContact O-N 2.87Å; F260-K278 HydrophobicContact CB-CG 4.06Å; F260-K278 HydrophobicContact CD1-CD 4.02Å; F260-K278 HydrophobicContact CD1-CG 3.49Å; F260-K278 VanDerWaalsContact CD1-CG 3.49Å; F260-K278 HydrophobicContact CE1-CD 4.29Å; F260-K278 HydrophobicContact CE1-CG 3.95Å; F260-K278 HydrophobicContact CG-CG 3.8Å; F260-A281 HydrophobicContact CB-CB 4.3Å; F260-A281 WeakPolarHBondContact O-CB 3.29Å
261	V	84.4	Confident	76.9	Confident	16 Å²	16	57.7 Å²	57.7	10%	0.097	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.2	174.2	-171.5	0	0	0	0	108.1	V249 S250 Q272	V249-V261 HydrophobicContact CB-CG1 4.39Å; V249-V261 PolarHBondContact N-O 3.07Å; S250-V261 PolarHBondContact N-O 3.17Å; S250-V261 PolarHBondContact O-N 3.4Å; S250-V261 WeakPolarHBondContact OG-CB 3.4Å; S250-V261 VanDerWaalsContact OG-CG2 3.25Å; S250-V261 WeakPolarHBondContact OG-CG2 3.2Å; V261-Q272 HydrophobicContact CG1-CG 3.34Å
262	M	90.3	Very high	77.1	Confident	3 Å²	3	59 Å²	59	2%	0.015	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.6	179.5	-63.1	-66.2	-51.2	0	0	108.8	Y246 N247 T248 Q272 G273 K278 A281 K282	Y246-M262 WeakPolarHBondContact O-CE 3.45Å; N247-M262 VanDerWaalsContact C-CE 3.42Å; N247-M262 CarbonylContact O-C 3.48Å; N247-M262 VanDerWaalsContact O-CA 3.29Å; N247-M262 WeakPolarHBondContact O-CA 3.4Å; N247-M262 WeakPolarHBondContact O-CE 3.49Å; T248-M262 HydrophobicContact CG2-SD 4.11Å; T248-M262 PolarHBondContact OG1-SD 3.33Å; M262-Q272 WeakPolarHBondContact O-CA 3.47Å; M262-G273 PolarHBondContact N-O 3.26Å; M262-G273 PolarHBondContact O-N 3.3Å; M262-K278 HydrophobicContact SD-CB 4.16Å; M262-K278 HydrophobicContact SD-CD 4.38Å; M262-K278 HydrophobicContact SD-CG 4.16Å; M262-A281 HydrophobicContact CB-CB 3.98Å; M262-A281 HydrophobicContact CG-CB 3.42Å; M262-A281 VanDerWaalsContact CG-CB 3.42Å; M262-K282 HydrophobicContact CB-CG 4.28Å; M262-K282 HydrophobicContact CE-CD 4.43Å; M262-K282 HydrophobicContact CE-CG 3.9Å; M262-K282 HydrophobicContact CG-CG 4.06Å
263	S	90.9	Very high	77.9	Confident	9 Å²	9	56.4 Å²	56.4	6%	0.063	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	155.3	166.9	68	0	0	0	0	111.8	Y246 N247 V249 F271	Y246-S263 CarbonylContact C-O 3.58Å; Y246-S263 VanDerWaalsContact CA-O 3.26Å; Y246-S263 WeakPolarHBondContact CA-O 3.19Å; N247-S263 PolarHBondContact N-O 3.38Å; N247-S263 PolarHBondContact O-N 3.22Å; V249-S263 WeakPolarHBondContact CG2-OG 3.47Å; S263-F271 CarbonylContact C-O 3.57Å; S263-F271 WeakPolarHBondContact CA-O 3.29Å; S263-F271 WeakPolarHBondContact CB-O 3.45Å
264	V	92.4	Very high	78.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.7	170.1	64.6	0	0	0	0	108.2	L244 Y246 V266 F271 A285	L244-V264 HydrophobicContact CB-CG2 4.19Å; L244-V264 HydrophobicContact CD1-CG2 4.42Å; L244-V264 HydrophobicContact CD2-CG2 4.43Å; Y246-V264 HydrophobicContact CD1-CB 3.69Å; Y246-V264 HydrophobicContact CD1-CG1 4.4Å; Y246-V264 HydrophobicContact CD1-CG2 4.04Å; Y246-V264 HydrophobicContact CD2-CG2 4.39Å; Y246-V264 HydrophobicContact CE1-CB 3.76Å; Y246-V264 HydrophobicContact CE1-CG1 4.08Å; Y246-V264 HydrophobicContact CE1-CG2 3.91Å; Y246-V264 HydrophobicContact CE2-CG2 4.24Å; Y246-V264 HydrophobicContact CG-CB 4.28Å; Y246-V264 HydrophobicContact CG-CG2 4.29Å; V264-V266 HydrophobicContact CG1-CG2 4.15Å; V264-V266 HydrophobicContact CG2-CG2 3.92Å; V264-F271 HydrophobicContact CG1-CB 4.17Å; V264-F271 PolarHBondContact N-O 2.99Å; V264-F271 PolarHBondContact O-N 3.34Å; V264-A285 HydrophobicContact CG1-CB 3.99Å
265	T	90.1	Very high	79.5	Confident	71 Å²	71	51.5 Å²	51.5	44%	0.436	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	118.5	176.3	-46.9	0	0	0	0	108.3	L244 Q269 N270	L244-T265 VanDerWaalsContact CD2-O 3.24Å; L244-T265 WeakPolarHBondContact CD2-O 3.36Å; T265-Q269 CarbonylContact C-O 3.58Å; T265-Q269 VanDerWaalsContact CA-O 3.26Å; T265-Q269 WeakPolarHBondContact CA-O 3.32Å; T265-Q269 WeakPolarHBondContact CG2-O 3.34Å; T265-N270 PolarHBondContact OG1-OD1 2.87Å
266	V	87.4	Confident	80.4	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.7	-177.4	-168.2	0	0	0	0	107.3	L237 R241 L244 V264 A268 Q269 F271 A289 L293	L237-V266 HydrophobicContact CD1-CG1 4.38Å; L237-V266 HydrophobicContact CD1-CG2 4.49Å; L237-V266 HydrophobicContact CD2-CG2 4.2Å; R241-V266 HydrophobicContact CG-CG1 4.16Å; L244-V266 HydrophobicContact CD1-CG1 4.36Å; L244-V266 HydrophobicContact CD1-CG2 3.88Å; L244-V266 HydrophobicContact CD2-CB 4.43Å; L244-V266 HydrophobicContact CD2-CG1 4.43Å; L244-V266 HydrophobicContact CD2-CG2 3.97Å; V264-V266 HydrophobicContact CG1-CG2 4.15Å; V264-V266 HydrophobicContact CG2-CG2 3.92Å; V266-A268 VanDerWaalsContact C-N 3.29Å; V266-A268 PolarHBondContact O-N 3.01Å; V266-Q269 PolarHBondContact N-O 2.92Å; V266-Q269 PolarHBondContact O-N 3.12Å; V266-Q269 VanDerWaalsContact O-O 3.11Å; V266-F271 HydrophobicContact CB-CD2 4.39Å; V266-F271 HydrophobicContact CB-CE2 4.33Å; V266-F271 HydrophobicContact CG2-CD2 4.37Å; V266-A289 HydrophobicContact CG2-CB 3.98Å; V266-L293 HydrophobicContact CB-CD1 3.67Å; V266-L293 HydrophobicContact CG1-CD1 3.47Å; V266-L293 VanDerWaalsContact CG1-CD1 3.47Å
267	D	82.1	Confident	81.7	Confident	80 Å²	80	50 Å²	50	43%	0.428	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	52.7	176.1	-58.6	7.8	0	0	0	112.6	R241 Q269 L293	R241-D267 IonicContact CZ-OD1 3.89Å; R241-D267 IonicContact CZ-OD2 3.28Å; R241-D267 VanDerWaalsContact CZ-OD2 3.28Å; R241-D267 IonicContact NE-OD1 2.95Å; R241-D267 PolarHBondContact NE-OD1 3.41Å; R241-D267 IonicContact NE-OD2 3.05Å; R241-D267 PolarHBondContact NE-OD2 3.04Å; R241-D267 IonicContact NH2-OD1 3.94Å; R241-D267 IonicContact NH2-OD2 2.69Å; R241-D267 PolarHBondContact NH2-OD2 3.28Å; D267-Q269 PolarHBondContact O-N 3.47Å; D267-L293 HydrophobicContact CB-CD1 4.28Å
268	A	81.4	Confident	82.9	Confident	105 Å²	105	51.3 Å²	51.3	87%	0.868	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-7.7	-174.8	0	0	0	0	0	117.5	V266	V266-A268 VanDerWaalsContact C-N 3.29Å; V266-A268 PolarHBondContact O-N 3.01Å
269	Q	84.1	Confident	83.8	Confident	101 Å²	101	57.3 Å²	57.3	47%	0.472	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	148.7	176.1	-60.5	-175.8	37.1	0	0	111.7	T265 V266 D267 F271	T265-Q269 CarbonylContact C-O 3.58Å; T265-Q269 VanDerWaalsContact CA-O 3.26Å; T265-Q269 WeakPolarHBondContact CA-O 3.32Å; T265-Q269 WeakPolarHBondContact CG2-O 3.34Å; V266-Q269 PolarHBondContact N-O 2.92Å; V266-Q269 PolarHBondContact O-N 3.12Å; V266-Q269 VanDerWaalsContact O-O 3.11Å; D267-Q269 PolarHBondContact O-N 3.47Å; Q269-F271 HydrophobicContact CB-CD2 4.48Å; Q269-F271 HydrophobicContact CB-CE2 3.56Å; Q269-F271 HydrophobicContact CB-CZ 3.68Å
270	N	87.1	Confident	84.3	Confident	100 Å²	100	57.8 Å²	57.8	54%	0.535	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	104.5	-174.5	-176.1	46.2	0	0	0	111.8	T265	T265-N270 PolarHBondContact OG1-OD1 2.87Å
271	F	87.3	Confident	84.4	Confident	24 Å²	24	56.4 Å²	56.4	11%	0.105	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	142.4	-177.7	-59.3	-81.1	0	0	0	111.1	S263 V264 V266 Q269 A288 A289 A292 L293	S263-F271 CarbonylContact C-O 3.57Å; S263-F271 WeakPolarHBondContact CA-O 3.29Å; S263-F271 WeakPolarHBondContact CB-O 3.45Å; V264-F271 HydrophobicContact CG1-CB 4.17Å; V264-F271 PolarHBondContact N-O 2.99Å; V264-F271 PolarHBondContact O-N 3.34Å; V266-F271 HydrophobicContact CB-CD2 4.39Å; V266-F271 HydrophobicContact CB-CE2 4.33Å; V266-F271 HydrophobicContact CG2-CD2 4.37Å; Q269-F271 HydrophobicContact CB-CD2 4.48Å; Q269-F271 HydrophobicContact CB-CE2 3.56Å; Q269-F271 HydrophobicContact CB-CZ 3.68Å; F271-A288 HydrophobicContact CB-CB 4.46Å; F271-A288 HydrophobicContact CD1-CB 4.46Å; F271-A289 HydrophobicContact CB-CB 4.12Å; F271-A289 HydrophobicContact CD1-CB 4.41Å; F271-A289 HydrophobicContact CD2-CB 3.5Å; F271-A289 VanDerWaalsContact CD2-CB 3.5Å; F271-A289 HydrophobicContact CE2-CB 4.02Å; F271-A289 HydrophobicContact CG-CB 3.72Å; F271-A292 HydrophobicContact CD1-CB 4.35Å; F271-A292 HydrophobicContact CE1-CB 3.45Å; F271-A292 VanDerWaalsContact CE1-CB 3.45Å; F271-A292 HydrophobicContact CZ-CB 3.93Å; F271-L293 HydrophobicContact CE2-CD1 3.74Å; F271-L293 HydrophobicContact CE2-CD2 4.36Å; F271-L293 HydrophobicContact CE2-CG 3.92Å; F271-L293 HydrophobicContact CZ-CD1 4.16Å; F271-L293 HydrophobicContact CZ-CD2 4.03Å; F271-L293 HydrophobicContact CZ-CG 3.79Å
272	Q	85.4	Confident	84.6	Confident	115 Å²	115	59.2 Å²	59.2	54%	0.537	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.3	-175	-166.8	-179.5	74.4	0	0	111.3	V261 M262	V261-Q272 HydrophobicContact CG1-CG 3.34Å; M262-Q272 WeakPolarHBondContact O-CA 3.47Å
273	G	81.7	Confident	84.4	Confident	5 Å²	5	59.6 Å²	59.6	5%	0.052	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.8	177.5	0	0	0	0	0	111.7	M262	M262-G273 PolarHBondContact N-O 3.26Å; M262-G273 PolarHBondContact O-N 3.3Å
274	S	79.6	Confident	84.1	Confident	35 Å²	35	62.1 Å²	62.1	25%	0.245	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	155	174.7	52.4	0	0	0	0	111.7	F260 R284 N589	F260-S274 CarbonylContact O-C 3.57Å; F260-S274 WeakPolarHBondContact O-CA 3.35Å; S274-R284 WeakPolarHBondContact O-CD 3.39Å; S274-R284 PolarHBondContact O-NH1 3.09Å; S274-N589 WeakPolarHBondContact CB-ND2 3.5Å; S274-N589 PolarHBondContact O-OD1 3.39Å; S274-N589 PolarHBondContact OG-ND2 3.19Å
275	G	76.6	Confident	83.9	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.5	155.6	175.8	0	0	0	0	0	114.7	N259 F260 N277 N589	N259-G275 PolarHBondContact OD1-N 3Å; N259-G275 PolarHBondContact OD1-O 3.17Å; F260-G275 PolarHBondContact N-O 3.07Å; F260-G275 PolarHBondContact O-N 2.87Å; G275-N277 PolarHBondContact O-N 3.13Å; G275-N589 WeakPolarHBondContact CA-OD1 3.48Å; G275-N589 PolarHBondContact N-OD1 3.11Å
276	R	71	Confident	83.8	Confident	142 Å²	142	58.8 Å²	58.8	54%	0.536	29%	0.289	S	S	.	.	S	Bend	trans	-57.9	-1.1	-176.3	74.5	-176.4	-177.2	88.8	-1.5	117.6	K258 L280	K258-R276 CarbonylContact O-C 3.34Å; K258-R276 WeakPolarHBondContact O-CA 3.31Å; R276-L280 HydrophobicContact CG-CD2 4.06Å
277	N	82	Confident	83.6	Confident	52 Å²	52	60.4 Å²	60.4	28%	0.278	30%	0.297	S	S	.	.	S	Bend	trans	-160.6	156.9	169.8	60.1	62.9	0	0	0	109.8	G275 R279 L280 A281	G275-N277 PolarHBondContact O-N 3.13Å; N277-R279 PolarHBondContact O-N 3.38Å; N277-R279 WeakPolarHBondContact OD1-CB 3.46Å; N277-R279 PolarHBondContact OD1-N 2.82Å; N277-R279 VanDerWaalsContact OD1-N 3.17Å; N277-L280 PolarHBondContact O-N 3.1Å; N277-L280 VanDerWaalsContact O-N 3.11Å; N277-L280 PolarHBondContact OD1-N 2.87Å; N277-A281 PolarHBondContact O-N 2.82Å
278	K	85.1	Confident	83.7	Confident	83 Å²	83	58.2 Å²	58.2	36%	0.361	29%	0.289	S	S	.	.	H	α-helix	trans	-57.7	-24.4	-178.7	-59.5	-170.2	-179.8	-173	0	113.5	E251 F260 M262 K282	E251-K278 VanDerWaalsContact OE2-CE 3.31Å; E251-K278 WeakPolarHBondContact OE2-CE 3.41Å; E251-K278 IonicContact OE2-NZ 2.68Å; E251-K278 PolarHBondContact OE2-NZ 2.85Å; F260-K278 HydrophobicContact CB-CG 4.06Å; F260-K278 HydrophobicContact CD1-CD 4.02Å; F260-K278 HydrophobicContact CD1-CG 3.49Å; F260-K278 VanDerWaalsContact CD1-CG 3.49Å; F260-K278 HydrophobicContact CE1-CD 4.29Å; F260-K278 HydrophobicContact CE1-CG 3.95Å; F260-K278 HydrophobicContact CG-CG 3.8Å; M262-K278 HydrophobicContact SD-CB 4.16Å; M262-K278 HydrophobicContact SD-CD 4.38Å; M262-K278 HydrophobicContact SD-CG 4.16Å; K278-K282 WeakPolarHBondContact O-CB 3.46Å; K278-K282 WeakPolarHBondContact O-CG 3.36Å; K278-K282 PolarHBondContact O-N 2.92Å; K278-K282 VanDerWaalsContact O-N 3.13Å
279	R	86.2	Confident	83.9	Confident	194 Å²	194	53.2 Å²	53.2	73%	0.732	25%	0.248	S	C	*	.	H	α-helix	trans	-73.1	-45.5	175.5	-174.5	179.8	179.9	-176.3	-0.2	112.2	N277 A283	N277-R279 PolarHBondContact O-N 3.38Å; N277-R279 WeakPolarHBondContact OD1-CB 3.46Å; N277-R279 PolarHBondContact OD1-N 2.82Å; N277-R279 VanDerWaalsContact OD1-N 3.17Å; R279-A283 WeakPolarHBondContact O-CB 3.49Å; R279-A283 PolarHBondContact O-N 3.04Å
280	L	82.7	Confident	84	Confident	49 Å²	49	48.4 Å²	48.4	26%	0.257	23%	0.225	S	C	.	.	H	α-helix	trans	-68.9	-41.3	177.4	-178.2	63.4	0	0	0	111.6	R276 N277 A283 R284	R276-L280 HydrophobicContact CG-CD2 4.06Å; N277-L280 PolarHBondContact O-N 3.1Å; N277-L280 VanDerWaalsContact O-N 3.11Å; N277-L280 PolarHBondContact OD1-N 2.87Å; L280-A283 WeakPolarHBondContact O-CB 3.43Å; L280-A283 PolarHBondContact O-N 2.94Å; L280-A283 VanDerWaalsContact O-N 3.12Å; L280-R284 PolarHBondContact O-N 2.91Å
281	A	84.7	Confident	83.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.9	-44.7	176	0	0	0	0	0	111.8	F260 M262 N277 A283 R284 A285	F260-A281 HydrophobicContact CB-CB 4.3Å; F260-A281 WeakPolarHBondContact O-CB 3.29Å; M262-A281 HydrophobicContact CB-CB 3.98Å; M262-A281 HydrophobicContact CG-CB 3.42Å; M262-A281 VanDerWaalsContact CG-CB 3.42Å; N277-A281 PolarHBondContact O-N 2.82Å; A281-A283 VanDerWaalsContact C-N 3.35Å; A281-A283 PolarHBondContact O-N 2.93Å; A281-R284 PolarHBondContact O-N 2.91Å; A281-A285 PolarHBondContact O-N 3.06Å
282	K	88.8	Confident	83.5	Confident	74 Å²	74	46.6 Å²	46.6	32%	0.322	23%	0.227	S	C	.	.	H	α-helix	trans	-58.3	-43.6	169.4	-76.4	-173.2	-175	-160.4	0	112.4	V234 Y246 M262 K278 R284 A285 A286	V234-K282 HydrophobicContact CG2-CB 4.21Å; Y246-K282 VanDerWaalsContact CB-CE 3.5Å; Y246-K282 HydrophobicContact CD1-CB 3.86Å; Y246-K282 HydrophobicContact CD1-CD 4.07Å; Y246-K282 HydrophobicContact CD1-CG 3.57Å; Y246-K282 HydrophobicContact CD2-CD 4.28Å; Y246-K282 HydrophobicContact CE1-CB 4.05Å; Y246-K282 HydrophobicContact CE1-CG 4.25Å; Y246-K282 HydrophobicContact CG-CB 4.47Å; Y246-K282 HydrophobicContact CG-CD 3.82Å; Y246-K282 HydrophobicContact CG-CG 3.8Å; M262-K282 HydrophobicContact CB-CG 4.28Å; M262-K282 HydrophobicContact CE-CD 4.43Å; M262-K282 HydrophobicContact CE-CG 3.9Å; M262-K282 HydrophobicContact CG-CG 4.06Å; K278-K282 WeakPolarHBondContact O-CB 3.46Å; K278-K282 WeakPolarHBondContact O-CG 3.36Å; K278-K282 PolarHBondContact O-N 2.92Å; K278-K282 VanDerWaalsContact O-N 3.13Å; K282-R284 VanDerWaalsContact C-N 3.3Å; K282-R284 PolarHBondContact O-N 3.01Å; K282-A285 PolarHBondContact O-N 2.91Å; K282-A286 WeakPolarHBondContact O-CB 3.25Å; K282-A286 PolarHBondContact O-N 3.42Å
283	A	86.3	Confident	83.4	Confident	12 Å²	12	43.2 Å²	43.2	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-35	179.9	0	0	0	0	0	113.2	P233 V234 R279 L280 A281 Q287	P233-A283 HydrophobicContact CG-CB 4.07Å; P233-A283 WeakPolarHBondContact CG-O 3.23Å; V234-A283 VanDerWaalsContact CG2-CA 3.46Å; V234-A283 HydrophobicContact CG2-CB 3.94Å; R279-A283 WeakPolarHBondContact O-CB 3.49Å; R279-A283 PolarHBondContact O-N 3.04Å; L280-A283 WeakPolarHBondContact O-CB 3.43Å; L280-A283 PolarHBondContact O-N 2.94Å; L280-A283 VanDerWaalsContact O-N 3.12Å; A281-A283 VanDerWaalsContact C-N 3.35Å; A281-A283 PolarHBondContact O-N 2.93Å; A283-Q287 WeakPolarHBondContact O-CB 3.38Å; A283-Q287 PolarHBondContact O-N 2.95Å
284	R	84.1	Confident	83.2	Confident	62 Å²	62	45.1 Å²	45.1	23%	0.234	22%	0.219	C	C	.	.	H	α-helix	trans	-77.8	-37.2	174	-66.1	-164.8	-172.4	134.4	-9.3	113.7	S274 L280 A281 K282 A286 Q287 A288 S588 N589	S274-R284 WeakPolarHBondContact O-CD 3.39Å; S274-R284 PolarHBondContact O-NH1 3.09Å; L280-R284 PolarHBondContact O-N 2.91Å; A281-R284 PolarHBondContact O-N 2.91Å; K282-R284 VanDerWaalsContact C-N 3.3Å; K282-R284 PolarHBondContact O-N 3.01Å; R284-A286 PolarHBondContact O-N 3.33Å; R284-Q287 PolarHBondContact O-N 2.79Å; R284-A288 WeakPolarHBondContact O-CB 3.15Å; R284-A288 PolarHBondContact O-N 2.83Å; R284-S588 PolarHBondContact NH1-O 3.04Å; R284-S588 PolarHBondContact NH2-O 3.15Å; R284-N589 PolarHBondContact NH1-OD1 3.12Å
285	A	87.8	Confident	83.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-38.6	172.4	0	0	0	0	0	110.5	V264 A281 K282 A289	V264-A285 HydrophobicContact CG1-CB 3.99Å; A281-A285 PolarHBondContact O-N 3.06Å; K282-A285 PolarHBondContact O-N 2.91Å; A285-A289 PolarHBondContact O-N 3.01Å
286	A	88.4	Confident	82.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-68.8	-44.1	173.8	0	0	0	0	0	112.9	P233 V234 L237 Y246 K282 R284 A288 A289 L290	P233-A286 HydrophobicContact CB-CB 4.28Å; V234-A286 HydrophobicContact CG2-CB 4.19Å; L237-A286 HydrophobicContact CB-CB 4.25Å; L237-A286 HydrophobicContact CD2-CB 3.76Å; Y246-A286 HydrophobicContact CE1-CB 4.27Å; Y246-A286 WeakPolarHBondContact OH-CB 3.38Å; K282-A286 WeakPolarHBondContact O-CB 3.25Å; K282-A286 PolarHBondContact O-N 3.42Å; R284-A286 PolarHBondContact O-N 3.33Å; A286-A288 VanDerWaalsContact C-N 3.35Å; A286-A288 PolarHBondContact O-N 2.93Å; A286-A289 PolarHBondContact O-N 3.41Å; A286-L290 WeakPolarHBondContact O-CG 3.22Å; A286-L290 PolarHBondContact O-N 3.44Å
287	Q	84.3	Confident	82.6	Confident	36 Å²	36	52.4 Å²	52.4	17%	0.168	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-47	174.8	179.7	-179.4	-6.2	0	0	111.3	P233 A283 R284 A289 L290 S291 P298 Q300	P233-Q287 HydrophobicContact CB-CB 4.27Å; A283-Q287 WeakPolarHBondContact O-CB 3.38Å; A283-Q287 PolarHBondContact O-N 2.95Å; R284-Q287 PolarHBondContact O-N 2.79Å; Q287-A289 VanDerWaalsContact C-N 3.31Å; Q287-A289 PolarHBondContact O-N 3.09Å; Q287-L290 PolarHBondContact O-N 2.93Å; Q287-L290 VanDerWaalsContact O-N 3.12Å; Q287-S291 PolarHBondContact O-N 3.4Å; Q287-S291 PolarHBondContact O-OG 3.42Å; Q287-P298 HydrophobicContact CB-CG 4.32Å; Q287-P298 HydrophobicContact CG-CG 3.78Å; Q287-Q300 VanDerWaalsContact OE1-NE2 3.14Å
288	A	83	Confident	81.4	Confident	33 Å²	33	50.6 Å²	50.6	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-36.2	-179.7	0	0	0	0	0	112.7	F271 R284 A286 S291 A292	F271-A288 HydrophobicContact CB-CB 4.46Å; F271-A288 HydrophobicContact CD1-CB 4.46Å; R284-A288 WeakPolarHBondContact O-CB 3.15Å; R284-A288 PolarHBondContact O-N 2.83Å; A286-A288 VanDerWaalsContact C-N 3.35Å; A286-A288 PolarHBondContact O-N 2.93Å; A288-S291 PolarHBondContact O-OG 2.97Å; A288-A292 WeakPolarHBondContact O-CB 3.5Å; A288-A292 PolarHBondContact O-N 2.99Å
289	A	86.3	Confident	79.7	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.4	-37.6	172.6	0	0	0	0	0	112.4	L237 V266 F271 A285 A286 Q287 L293	L237-A289 HydrophobicContact CD1-CB 4.35Å; L237-A289 HydrophobicContact CD2-CB 3.85Å; V266-A289 HydrophobicContact CG2-CB 3.98Å; F271-A289 HydrophobicContact CB-CB 4.12Å; F271-A289 HydrophobicContact CD1-CB 4.41Å; F271-A289 HydrophobicContact CD2-CB 3.5Å; F271-A289 VanDerWaalsContact CD2-CB 3.5Å; F271-A289 HydrophobicContact CE2-CB 4.02Å; F271-A289 HydrophobicContact CG-CB 3.72Å; A285-A289 PolarHBondContact O-N 3.01Å; A286-A289 PolarHBondContact O-N 3.41Å; Q287-A289 VanDerWaalsContact C-N 3.31Å; Q287-A289 PolarHBondContact O-N 3.09Å; A289-L293 VanDerWaalsContact O-CB 3.32Å; A289-L293 WeakPolarHBondContact O-CB 3.38Å; A289-L293 PolarHBondContact O-N 3.44Å
290	L	86.4	Confident	78.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-44.3	178	-74.3	168.6	0	0	0	112.7	P233 I236 L237 A286 Q287 F294 H295 I296	P233-L290 HydrophobicContact CB-CD1 3.91Å; P233-L290 WeakPolarHBondContact O-CD1 3.26Å; I236-L290 HydrophobicContact CB-CD1 3.95Å; I236-L290 HydrophobicContact CB-CD2 4.5Å; I236-L290 HydrophobicContact CG2-CD1 4.05Å; I236-L290 HydrophobicContact CG2-CD2 3.86Å; L237-L290 HydrophobicContact CB-CD1 4.22Å; L237-L290 HydrophobicContact CB-CD2 4.1Å; L237-L290 HydrophobicContact CB-CG 4.08Å; L237-L290 HydrophobicContact CD1-CD2 4.02Å; L237-L290 HydrophobicContact CD1-CG 4.28Å; A286-L290 WeakPolarHBondContact O-CG 3.22Å; A286-L290 PolarHBondContact O-N 3.44Å; Q287-L290 PolarHBondContact O-N 2.93Å; Q287-L290 VanDerWaalsContact O-N 3.12Å; L290-F294 HydrophobicContact CD2-CD2 4.11Å; L290-F294 CarbonylContact O-C 3.52Å; L290-F294 WeakPolarHBondContact O-CA 3.4Å; L290-F294 WeakPolarHBondContact O-CB 3.4Å; L290-F294 PolarHBondContact O-N 2.88Å; L290-F294 VanDerWaalsContact O-N 3.09Å; L290-H295 PolarHBondContact O-N 3.42Å; L290-H295 VanDerWaalsContact O-N 3.13Å; L290-I296 CarbonylContact C-O 3.59Å; L290-I296 PolarHBondContact O-N 2.88Å
291	S	82.2	Confident	76.9	Confident	37 Å²	37	47.5 Å²	47.5	26%	0.259	25%	0.248	S	C	.	.	H	α-helix	trans	-70.4	-35.2	177.9	58.2	0	0	0	0	112.6	Q287 A288 H295 I296	Q287-S291 PolarHBondContact O-N 3.4Å; Q287-S291 PolarHBondContact O-OG 3.42Å; A288-S291 PolarHBondContact O-OG 2.97Å; S291-H295 WeakPolarHBondContact O-CA 3.06Å; S291-H295 PolarHBondContact O-N 2.89Å; S291-H295 PolarHBondContact O-ND1 2.7Å; S291-I296 PolarHBondContact N-O 2.87Å
292	A	81.1	Confident	75.7	Confident	50 Å²	50	51.1 Å²	51.1	41%	0.413	27%	0.274	S	S	.	.	H	α-helix	trans	-80.9	-37.8	-178.1	0	0	0	0	0	114.8	F271 A288	F271-A292 HydrophobicContact CD1-CB 4.35Å; F271-A292 HydrophobicContact CE1-CB 3.45Å; F271-A292 VanDerWaalsContact CE1-CB 3.45Å; F271-A292 HydrophobicContact CZ-CB 3.93Å; A288-A292 WeakPolarHBondContact O-CB 3.5Å; A288-A292 PolarHBondContact O-N 2.99Å
293	L	83.1	Confident	74.6	Confident	43 Å²	43	47.9 Å²	47.9	23%	0.225	26%	0.26	C	S	.	.	H	α-helix	trans	-100	-26.5	-175.8	-63.6	179.7	0	0	0	114.3	V266 D267 F271 A289	V266-L293 HydrophobicContact CB-CD1 3.67Å; V266-L293 HydrophobicContact CG1-CD1 3.47Å; V266-L293 VanDerWaalsContact CG1-CD1 3.47Å; D267-L293 HydrophobicContact CB-CD1 4.28Å; F271-L293 HydrophobicContact CE2-CD1 3.74Å; F271-L293 HydrophobicContact CE2-CD2 4.36Å; F271-L293 HydrophobicContact CE2-CG 3.92Å; F271-L293 HydrophobicContact CZ-CD1 4.16Å; F271-L293 HydrophobicContact CZ-CD2 4.03Å; F271-L293 HydrophobicContact CZ-CG 3.79Å; A289-L293 VanDerWaalsContact O-CB 3.32Å; A289-L293 WeakPolarHBondContact O-CB 3.38Å; A289-L293 PolarHBondContact O-N 3.44Å
294	F	78.6	Confident	73.9	Confident	46 Å²	46	55 Å²	55	20%	0.202	29%	0.285	C	S	.	.	S	Bend	trans	-123	-3.7	-172.9	-57.7	-83.1	0	0	0	113.1	L237 M240 R241 L290 I296	L237-F294 HydrophobicContact CD1-CE2 4.05Å; M240-F294 HydrophobicContact CB-CE1 4.45Å; M240-F294 HydrophobicContact CB-CZ 4.29Å; M240-F294 HydrophobicContact CE-CD1 3.55Å; M240-F294 HydrophobicContact CE-CE1 3.7Å; M240-F294 HydrophobicContact CE-CG 4.37Å; R241-F294 HydrophobicContact CG-CZ 4.18Å; L290-F294 HydrophobicContact CD2-CD2 4.11Å; L290-F294 CarbonylContact O-C 3.52Å; L290-F294 WeakPolarHBondContact O-CA 3.4Å; L290-F294 WeakPolarHBondContact O-CB 3.4Å; L290-F294 PolarHBondContact O-N 2.88Å; L290-F294 VanDerWaalsContact O-N 3.09Å; F294-I296 HydrophobicContact CB-CD1 4.05Å; F294-I296 HydrophobicContact CB-CG1 4.08Å; F294-I296 PolarHBondContact O-N 2.79Å; F294-I296 VanDerWaalsContact O-N 3.08Å
295	H	76.4	Confident	73.6	Confident	162 Å²	162	55.7 Å²	55.7	75%	0.75	29%	0.291	S	S	*	.			trans	52.9	23.3	-173.2	-54.7	-50.6	0	0	0	114.5	L290 S291	L290-H295 PolarHBondContact O-N 3.42Å; L290-H295 VanDerWaalsContact O-N 3.13Å; S291-H295 WeakPolarHBondContact O-CA 3.06Å; S291-H295 PolarHBondContact O-N 2.89Å; S291-H295 PolarHBondContact O-ND1 2.7Å
296	I	72.9	Confident	73.4	Confident	26 Å²	26	57 Å²	57	13%	0.133	30%	0.299	C	S	.	.			trans	-89.4	109.6	174.7	-61.2	172.1	0	0	0	107.7	L290 S291 F294 P298	L290-I296 CarbonylContact C-O 3.59Å; L290-I296 PolarHBondContact O-N 2.88Å; S291-I296 PolarHBondContact N-O 2.87Å; F294-I296 HydrophobicContact CB-CD1 4.05Å; F294-I296 HydrophobicContact CB-CG1 4.08Å; F294-I296 PolarHBondContact O-N 2.79Å; F294-I296 VanDerWaalsContact O-N 3.08Å; I296-P298 VanDerWaalsContact O-CD 3.25Å; I296-P298 WeakPolarHBondContact O-CD 3.23Å
297	E	63.4	Low	73.1	Confident	141 Å²	141	58.9 Å²	58.9	66%	0.659	31%	0.309	S	S	*	.			trans	-85.3	109.1	162.4	-63.4	-132.8	133.3	0	0	109.2	D299	E297-D299 PolarHBondContact O-N 3.05Å
298	P	56.8	Low	73.1	Confident	15 Å²	15	61 Å²	61	10%	0.097	33%	0.325	C	S	.	.			trans	-76	121	177.3	30.3	-32.9	0	0	0	109.8	P233 I236 Q287 I296 Q300	P233-P298 HydrophobicContact CB-CG 4.11Å; I236-P298 HydrophobicContact CD1-CB 4.17Å; Q287-P298 HydrophobicContact CB-CG 4.32Å; Q287-P298 HydrophobicContact CG-CG 3.78Å; I296-P298 VanDerWaalsContact O-CD 3.25Å; I296-P298 WeakPolarHBondContact O-CD 3.23Å; P298-Q300 PolarHBondContact O-N 2.82Å
299	D	50.3	Low	72.9	Confident	111 Å²	111	61.2 Å²	61.2	59%	0.594	32%	0.32	S	S	*	.			trans	-20.9	87.6	-176.1	-82.7	-47.4	0	0	0	115.3	S229 E297 V301	S229-D299 WeakPolarHBondContact CA-OD2 3.34Å; S229-D299 WeakPolarHBondContact CB-OD2 3.32Å; S229-D299 PolarHBondContact OG-OD2 3.09Å; E297-D299 PolarHBondContact O-N 3.05Å; D299-V301 VanDerWaalsContact C-N 3.3Å; D299-V301 PolarHBondContact O-N 2.91Å
300	Q	53.5	Low	72	Confident	87 Å²	87	66.8 Å²	66.8	41%	0.407	35%	0.346	S	S	.	.			trans	-77.9	91.1	161.5	-76	-162.3	-11.7	0	0	107.4	Q287 P298 S302	Q287-Q300 VanDerWaalsContact OE1-NE2 3.14Å; P298-Q300 PolarHBondContact O-N 2.82Å; Q300-S302 PolarHBondContact O-N 2.98Å; Q300-S302 VanDerWaalsContact O-N 3.09Å
301	V	56.7	Low	71	Confident	63 Å²	63	69.9 Å²	69.9	38%	0.382	38%	0.378	S	S	.	.			trans	-27.7	114.7	175.4	-169.2	0	0	0	0	109.7	D299 S303 R304 A462	D299-V301 VanDerWaalsContact C-N 3.3Å; D299-V301 PolarHBondContact O-N 2.91Å; V301-S303 WeakPolarHBondContact CG1-OG 3.36Å; V301-S303 PolarHBondContact O-N 3.14Å; V301-R304 PolarHBondContact O-N 2.8Å; V301-A462 HydrophobicContact CG1-CB 4.08Å
302	S	58.9	Low	69.8	Low	76 Å²	76	74.9 Å²	74.9	53%	0.531	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-47	-36.7	-164.2	54.1	0	0	0	0	113.4	Q300 R304 Q305	Q300-S302 PolarHBondContact O-N 2.98Å; Q300-S302 VanDerWaalsContact O-N 3.09Å; S302-R304 PolarHBondContact O-N 2.89Å; S302-Q305 PolarHBondContact O-N 2.68Å
303	S	65.9	Low	69.2	Low	6 Å²	6	76.2 Å²	76.2	4%	0.042	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-54.2	-6.5	172	64.1	0	0	0	0	116.8	V301 H555 A556	V301-S303 WeakPolarHBondContact CG1-OG 3.36Å; V301-S303 PolarHBondContact O-N 3.14Å; S303-H555 WeakPolarHBondContact CB-CE1 3.42Å; S303-H555 WeakPolarHBondContact CB-ND1 3.19Å; S303-H555 WeakPolarHBondContact CB-NE2 3.31Å; S303-H555 CarbonylContact O-C 3.46Å; S303-H555 VanDerWaalsContact O-CA 3.24Å; S303-H555 WeakPolarHBondContact O-CA 3.09Å; S303-A556 PolarHBondContact O-N 2.86Å
304	R	72	Confident	68.5	Low	162 Å²	162	76.9 Å²	76.9	61%	0.611	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-108.9	-5.7	174.6	-65.2	-169.5	-178.5	166.4	7.2	114.8	V301 S302	V301-R304 PolarHBondContact O-N 2.8Å; S302-R304 PolarHBondContact O-N 2.89Å
305	Q	77.8	Confident	68.3	Low	76 Å²	76	75.5 Å²	75.5	36%	0.355	40%	0.397	S	S	.	.	S	Bend	trans	-68.5	144.8	174.3	-64.8	-60.3	-11.8	0	0	111.1	S302 Y554	S302-Q305 PolarHBondContact O-N 2.68Å; Q305-Y554 WeakPolarHBondContact O-CE1 3.44Å; Q305-Y554 PolarHBondContact O-OH 2.7Å
306	P	82.5	Confident	68.5	Low	28 Å²	28	74.3 Å²	74.3	18%	0.182	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-72.4	132	174.4	30.4	-32.9	0	0	0	110.2	P317 L584	P306-P317 HydrophobicContact CB-CB 3.83Å; P306-P317 HydrophobicContact CG-CB 3.8Å; P306-P317 HydrophobicContact CG-CG 4.45Å; P306-L584 CarbonylContact C-O 3.58Å; P306-L584 VanDerWaalsContact CA-O 3.29Å; P306-L584 WeakPolarHBondContact CA-O 3.24Å
307	I	84.1	Confident	69	Low	39 Å²	39	74.2 Å²	74.2	20%	0.2	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-83.6	121.5	174.8	-55.2	170.3	0	0	0	108	A556 L583 L584	I307-A556 HydrophobicContact CD1-CB 3.96Å; I307-A556 HydrophobicContact CG1-CB 4.13Å; I307-L583 WeakPolarHBondContact O-CA 3.23Å; I307-L583 VanDerWaalsContact O-CD1 3.25Å; I307-L583 WeakPolarHBondContact O-CD1 3.18Å; I307-L584 HydrophobicContact CB-CB 4.22Å; I307-L584 HydrophobicContact CD1-CD1 4.16Å; I307-L584 PolarHBondContact N-O 2.77Å; I307-L584 PolarHBondContact O-N 3.34Å
308	P	82.3	Confident	70	Confident	79 Å²	79	70.1 Å²	70.1	51%	0.513	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-64	160.5	-179.2	26.7	-34.6	0	0	0	112.7
309	K	80.1	Confident	71.4	Confident	39 Å²	39	73 Å²	73	17%	0.17	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-78.9	146.3	172.6	179.4	-174.1	168.5	-168.5	0	109.7	L312 S546 L583	K309-L312 PolarHBondContact NZ-O 3.45Å; K309-S546 PolarHBondContact NZ-OG 2.65Å; K309-L583 HydrophobicContact CB-CB 4.16Å
310	E	67.3	Low	73.2	Confident	117 Å²	117	68 Å²	68	55%	0.547	36%	0.363	S	S	.	.	S	Bend	trans	-78.4	120.9	166.2	-71.6	177.3	170.2	0	0	110.8	K581	E310-K581 HydrophobicContact CG-CB 4.26Å; E310-K581 PolarHBondContact N-O 3.01Å; E310-K581 WeakPolarHBondContact OE1-CD 3.39Å; E310-K581 IonicContact OE1-NZ 3.95Å; E310-K581 PolarHBondContact OE1-NZ 3.25Å; E310-K581 WeakPolarHBondContact OE2-CD 3.46Å; E310-K581 WeakPolarHBondContact OE2-CG 3.26Å; E310-K581 IonicContact OE2-NZ 2.9Å; E310-K581 PolarHBondContact OE2-NZ 3.28Å
311	G	64.6	Low	74.9	Confident	65 Å²	65	63.8 Å²	63.8	67%	0.67	34%	0.344	S	S	*	.	S	Bend	trans	100.6	-155.9	-179.6	0	0	0	0	0	114	Q313	G311-Q313 PolarHBondContact O-N 3.01Å; G311-Q313 VanDerWaalsContact O-N 3.14Å
312	L	58.2	Low	76.4	Confident	141 Å²	141	63 Å²	63	74%	0.738	34%	0.337	S	S	*	.			trans	-57.7	115.6	-175.2	-90.1	161.4	0	0	0	112.7	K309	K309-L312 PolarHBondContact NZ-O 3.45Å
313	Q	67.6	Low	77.8	Confident	79 Å²	79	60 Å²	60	37%	0.369	32%	0.317	S	S	.	.			trans	-115	101	177	-173	-176.5	-55.4	0	0	109.8	G311 H315	G311-Q313 PolarHBondContact O-N 3.01Å; G311-Q313 VanDerWaalsContact O-N 3.14Å; Q313-H315 VanDerWaalsContact C-N 3.33Å; Q313-H315 WeakPolarHBondContact CG-O 3.33Å; Q313-H315 PolarHBondContact NE2-O 2.59Å; Q313-H315 PolarHBondContact O-N 2.88Å
314	L	68	Low	79.1	Confident	57 Å²	57	59.7 Å²	59.7	30%	0.298	32%	0.315	S	S	.	.			trans	-76.2	-14.5	-173.4	-63.3	173.7	0	0	0	114.7
315	H	74.9	Confident	80.1	Confident	17 Å²	17	52.4 Å²	52.4	8%	0.079	29%	0.289	C	S	.	.	S	Bend	trans	-142.9	156.2	-170.3	-39.3	-65.8	0	0	0	111.7	Q313 L320 G357 S358 V360 H442	Q313-H315 VanDerWaalsContact C-N 3.33Å; Q313-H315 WeakPolarHBondContact CG-O 3.33Å; Q313-H315 PolarHBondContact NE2-O 2.59Å; Q313-H315 PolarHBondContact O-N 2.88Å; H315-L320 HydrophobicContact CB-CB 4.17Å; H315-L320 HydrophobicContact CB-CD2 4.48Å; H315-G357 PolarHBondContact CE1-O 2.9Å; H315-S358 PolarHBondContact CE1-O 2.91Å; H315-S358 PolarHBondContact ND1-O 2.88Å; H315-V360 HydrophobicContact CB-CG2 3.97Å; H315-V360 WeakPolarHBondContact ND1-CG2 3.29Å; H315-H442 AromaticContact NE2-NE2 3.96Å
316	Q	80.9	Confident	80.7	Confident	137 Å²	137	54.9 Å²	54.9	64%	0.64	30%	0.295	S	S	*	.			trans	-69.1	135	172.8	-165.8	179.5	28.5	0	0	110.4	Q318 V319 L320	Q316-Q318 PolarHBondContact O-N 3.26Å; Q316-V319 HydrophobicContact CB-CB 4.37Å; Q316-V319 HydrophobicContact CB-CG2 4.18Å; Q316-V319 PolarHBondContact O-N 2.8Å; Q316-L320 PolarHBondContact O-N 3.04Å; Q316-L320 VanDerWaalsContact O-N 3.1Å
317	P	84	Confident	81.2	Confident	23 Å²	23	55.1 Å²	55.1	15%	0.149	30%	0.295	C	S	.	.	H	α-helix	trans	-56.3	-47.5	-167.8	-30.9	38.2	0	0	0	114.7	P306 A321 L583	P306-P317 HydrophobicContact CB-CB 3.83Å; P306-P317 HydrophobicContact CG-CB 3.8Å; P306-P317 HydrophobicContact CG-CG 4.45Å; P317-A321 WeakPolarHBondContact O-CB 3.14Å; P317-A321 PolarHBondContact O-N 2.82Å; P317-L583 HydrophobicContact CB-CD1 3.71Å; P317-L583 HydrophobicContact CB-CD2 4.26Å; P317-L583 HydrophobicContact CG-CD1 3.96Å
318	Q	83.8	Confident	81.7	Confident	56 Å²	56	53.3 Å²	53.3	26%	0.262	29%	0.285	S	S	.	.	H	α-helix	trans	-73.8	-37	-173.4	-162.2	57	56.3	0	0	112.3	Q316 A321 D322 G586 S588	Q316-Q318 PolarHBondContact O-N 3.26Å; Q318-A321 PolarHBondContact O-N 3.05Å; Q318-D322 PolarHBondContact NE2-OD2 2.73Å; Q318-D322 VanDerWaalsContact NE2-OD2 3.14Å; Q318-D322 WeakPolarHBondContact O-CB 3.49Å; Q318-D322 PolarHBondContact O-N 2.94Å; Q318-G586 PolarHBondContact NE2-O 3.04Å; Q318-G586 PolarHBondContact OE1-O 3.27Å; Q318-S588 PolarHBondContact NE2-OG 2.66Å
319	V	85.9	Confident	82.1	Confident	75 Å²	75	51.4 Å²	51.4	46%	0.455	27%	0.272	S	S	.	.	H	α-helix	trans	-64.6	-44.6	176.7	179.7	0	0	0	0	110.4	Q316 A323	Q316-V319 HydrophobicContact CB-CB 4.37Å; Q316-V319 HydrophobicContact CB-CG2 4.18Å; Q316-V319 PolarHBondContact O-N 2.8Å; V319-A323 WeakPolarHBondContact O-CB 3.32Å; V319-A323 PolarHBondContact O-N 3.29Å
320	L	88.1	Confident	82.7	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.026	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-45.1	174.1	-178.8	65.6	0	0	0	111.5	H315 Q316 A323 V324 T355 V360 L583	H315-L320 HydrophobicContact CB-CB 4.17Å; H315-L320 HydrophobicContact CB-CD2 4.48Å; Q316-L320 PolarHBondContact O-N 3.04Å; Q316-L320 VanDerWaalsContact O-N 3.1Å; L320-A323 PolarHBondContact O-N 3Å; L320-V324 HydrophobicContact CD1-CG2 3.85Å; L320-V324 HydrophobicContact CG-CG2 4.31Å; L320-V324 VanDerWaalsContact O-CB 3.32Å; L320-V324 WeakPolarHBondContact O-CB 3.12Å; L320-V324 WeakPolarHBondContact O-CG2 3.2Å; L320-V324 PolarHBondContact O-N 3.45Å; L320-T355 HydrophobicContact CD1-CG2 4.49Å; L320-V360 HydrophobicContact CD1-CG1 4.37Å; L320-L583 HydrophobicContact CD2-CD2 3.94Å
321	A	89.1	Confident	84	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.5	-49.9	179.6	0	0	0	0	0	112.7	P317 Q318 S325 I549 S585	P317-A321 WeakPolarHBondContact O-CB 3.14Å; P317-A321 PolarHBondContact O-N 2.82Å; Q318-A321 PolarHBondContact O-N 3.05Å; A321-S325 WeakPolarHBondContact O-CB 3.4Å; A321-S325 PolarHBondContact O-N 3.37Å; A321-I549 HydrophobicContact CB-CD1 4.48Å; A321-I549 HydrophobicContact CB-CG1 4.03Å; A321-I549 HydrophobicContact CB-CG2 3.78Å; A321-S585 VanDerWaalsContact CB-OG 3.25Å; A321-S585 WeakPolarHBondContact CB-OG 3.48Å
322	D	88.1	Confident	85.3	Confident	45 Å²	45	47 Å²	47	24%	0.241	23%	0.234	C	C	.	.	H	α-helix	trans	-69.9	-35.9	179.7	-72.5	-46.6	0	0	0	112	Q318 R326 S588	Q318-D322 PolarHBondContact NE2-OD2 2.73Å; Q318-D322 VanDerWaalsContact NE2-OD2 3.14Å; Q318-D322 WeakPolarHBondContact O-CB 3.49Å; Q318-D322 PolarHBondContact O-N 2.94Å; D322-R326 WeakPolarHBondContact O-CB 3.25Å; D322-R326 PolarHBondContact O-N 3.34Å; D322-S588 WeakPolarHBondContact OD1-CB 3.35Å; D322-S588 PolarHBondContact OD1-N 2.92Å; D322-S588 WeakPolarHBondContact OD2-CB 3.43Å; D322-S588 PolarHBondContact OD2-OG 3.37Å
323	A	89.5	Confident	86.9	Confident	13 Å²	13	41.1 Å²	41.1	11%	0.107	21%	0.205	C	C	.	.	H	α-helix	trans	-66.6	-50.3	175.8	0	0	0	0	0	112.8	V319 L320 S325 R326 L327 V360	V319-A323 WeakPolarHBondContact O-CB 3.32Å; V319-A323 PolarHBondContact O-N 3.29Å; L320-A323 PolarHBondContact O-N 3Å; A323-S325 VanDerWaalsContact C-N 3.35Å; A323-S325 PolarHBondContact O-N 2.84Å; A323-R326 PolarHBondContact O-N 3.47Å; A323-L327 WeakPolarHBondContact O-CB 3.37Å; A323-L327 VanDerWaalsContact O-CG 3.29Å; A323-L327 WeakPolarHBondContact O-CG 3.3Å; A323-L327 PolarHBondContact O-N 3.41Å; A323-V360 HydrophobicContact CB-CG1 3.42Å; A323-V360 VanDerWaalsContact CB-CG1 3.42Å
324	V	92.4	Very high	88	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-42.7	177.9	164.2	0	0	0	0	111	L320 R326 V328 V353 H442 I549	L320-V324 HydrophobicContact CD1-CG2 3.85Å; L320-V324 HydrophobicContact CG-CG2 4.31Å; L320-V324 VanDerWaalsContact O-CB 3.32Å; L320-V324 WeakPolarHBondContact O-CB 3.12Å; L320-V324 WeakPolarHBondContact O-CG2 3.2Å; L320-V324 PolarHBondContact O-N 3.45Å; V324-R326 VanDerWaalsContact C-N 3.35Å; V324-R326 PolarHBondContact O-N 3.01Å; V324-V328 WeakPolarHBondContact O-CG2 3.42Å; V324-V328 PolarHBondContact O-N 3.08Å; V324-V328 VanDerWaalsContact O-N 3.12Å; V324-V353 HydrophobicContact CB-CG2 4.4Å; V324-V353 HydrophobicContact CG1-CB 4.06Å; V324-V353 HydrophobicContact CG1-CG2 3.82Å; V324-V353 HydrophobicContact CG2-CB 4.09Å; V324-V353 HydrophobicContact CG2-CG1 4.12Å; V324-V353 HydrophobicContact CG2-CG2 4.45Å; V324-H442 HydrophobicContact CG1-CB 4.27Å; V324-H442 HydrophobicContact CG2-CB 4.07Å; V324-I549 HydrophobicContact CB-CD1 3.74Å; V324-I549 HydrophobicContact CG1-CD1 3.66Å; V324-I549 HydrophobicContact CG2-CD1 4.12Å
325	S	92.1	Very high	89.2	Confident	9 Å²	9	41.6 Å²	41.6	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-41.7	175	-178.4	0	0	0	0	112.4	A321 A323 V329 Y444	A321-S325 WeakPolarHBondContact O-CB 3.4Å; A321-S325 PolarHBondContact O-N 3.37Å; A323-S325 VanDerWaalsContact C-N 3.35Å; A323-S325 PolarHBondContact O-N 2.84Å; S325-V329 VanDerWaalsContact O-CG2 3.28Å; S325-V329 WeakPolarHBondContact O-CG2 3.29Å; S325-V329 PolarHBondContact O-N 3.04Å; S325-Y444 WeakPolarHBondContact OG-CE2 3.45Å; S325-Y444 PolarHBondContact OG-OH 2.91Å
326	R	90.6	Very high	89.8	Confident	128 Å²	128	40.8 Å²	40.8	48%	0.483	20%	0.203	S	C	.	.	H	α-helix	trans	-64.6	-50.4	178.7	178.6	179.3	63.3	74.3	6.1	110.6	D322 A323 V324 V328 V329 E330	D322-R326 WeakPolarHBondContact O-CB 3.25Å; D322-R326 PolarHBondContact O-N 3.34Å; A323-R326 PolarHBondContact O-N 3.47Å; V324-R326 VanDerWaalsContact C-N 3.35Å; V324-R326 PolarHBondContact O-N 3.01Å; R326-V328 PolarHBondContact O-N 3.18Å; R326-V329 PolarHBondContact O-N 2.77Å; R326-V329 VanDerWaalsContact O-N 3.12Å; R326-E330 VanDerWaalsContact CD-OE1 3.26Å; R326-E330 WeakPolarHBondContact CD-OE1 3.42Å; R326-E330 VanDerWaalsContact CG-CD 3.44Å; R326-E330 HydrophobicContact CG-CG 4.17Å; R326-E330 WeakPolarHBondContact CG-OE1 3.28Å; R326-E330 IonicContact CZ-OE1 2.65Å; R326-E330 IonicContact CZ-OE2 3.82Å; R326-E330 IonicContact NE-OE1 3.15Å; R326-E330 IonicContact NH1-OE1 3.98Å; R326-E330 PolarHBondContact NH1-OE1 3.1Å; R326-E330 IonicContact NH1-OE2 3.36Å; R326-E330 PolarHBondContact NH1-OE2 3.34Å; R326-E330 WeakPolarHBondContact O-CB 3.49Å; R326-E330 WeakPolarHBondContact O-CG 3.44Å; R326-E330 PolarHBondContact O-N 3.02Å
327	L	93.8	Very high	90.2	Very high	34 Å²	34	39.5 Å²	39.5	18%	0.178	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-42.1	179.9	-71.5	166.3	0	0	0	112.9	A323 K331 V353 A363 V365	A323-L327 WeakPolarHBondContact O-CB 3.37Å; A323-L327 VanDerWaalsContact O-CG 3.29Å; A323-L327 WeakPolarHBondContact O-CG 3.3Å; A323-L327 PolarHBondContact O-N 3.41Å; L327-K331 WeakPolarHBondContact O-CB 3.44Å; L327-K331 PolarHBondContact O-N 3.28Å; L327-V353 HydrophobicContact CD1-CG1 4.38Å; L327-A363 HydrophobicContact CD1-CB 3.66Å; L327-V365 HydrophobicContact CB-CG2 3.79Å
328	V	94.7	Very high	90.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69	-33.6	177.6	176	0	0	0	0	112.2	V324 R326 F332 L349 V353 V365 Y444	V324-V328 WeakPolarHBondContact O-CG2 3.42Å; V324-V328 PolarHBondContact O-N 3.08Å; V324-V328 VanDerWaalsContact O-N 3.12Å; R326-V328 PolarHBondContact O-N 3.18Å; V328-F332 WeakPolarHBondContact O-CB 3.29Å; V328-F332 PolarHBondContact O-N 3.22Å; V328-F332 VanDerWaalsContact O-N 3.12Å; V328-L349 HydrophobicContact CG1-CD2 4.38Å; V328-L349 HydrophobicContact CG1-CG 4.3Å; V328-V353 HydrophobicContact CG2-CG2 3.57Å; V328-V365 HydrophobicContact CG2-CG1 4.38Å; V328-Y444 HydrophobicContact CB-CD1 3.97Å; V328-Y444 HydrophobicContact CG1-CD1 3.79Å; V328-Y444 HydrophobicContact CG1-CE1 4.46Å; V328-Y444 HydrophobicContact CG2-CD1 4.48Å
329	V	91.5	Very high	90.2	Very high	40 Å²	40	44.1 Å²	44.1	24%	0.242	22%	0.223	C	C	.	.	H	α-helix	trans	-74.8	-42.5	176.4	171.8	0	0	0	0	111.4	S325 R326 F332 S333 F339 L349 Y444	S325-V329 VanDerWaalsContact O-CG2 3.28Å; S325-V329 WeakPolarHBondContact O-CG2 3.29Å; S325-V329 PolarHBondContact O-N 3.04Å; R326-V329 PolarHBondContact O-N 2.77Å; R326-V329 VanDerWaalsContact O-N 3.12Å; V329-F332 PolarHBondContact O-N 3.14Å; V329-S333 PolarHBondContact O-N 2.99Å; V329-F339 HydrophobicContact CG1-CZ 4.18Å; V329-L349 HydrophobicContact CG2-CD2 3.85Å; V329-Y444 HydrophobicContact CG2-CE1 4.49Å
330	E	91.4	Very high	90	Very high	76 Å²	76	45.9 Å²	45.9	36%	0.355	23%	0.234	S	C	.	.	H	α-helix	trans	-58.9	-49.6	173.2	-74.5	167.1	172.6	0	0	110.7	R326 F332 S333 E334	R326-E330 VanDerWaalsContact CD-OE1 3.26Å; R326-E330 WeakPolarHBondContact CD-OE1 3.42Å; R326-E330 VanDerWaalsContact CG-CD 3.44Å; R326-E330 HydrophobicContact CG-CG 4.17Å; R326-E330 WeakPolarHBondContact CG-OE1 3.28Å; R326-E330 IonicContact CZ-OE1 2.65Å; R326-E330 IonicContact CZ-OE2 3.82Å; R326-E330 IonicContact NE-OE1 3.15Å; R326-E330 IonicContact NH1-OE1 3.98Å; R326-E330 PolarHBondContact NH1-OE1 3.1Å; R326-E330 IonicContact NH1-OE2 3.36Å; R326-E330 PolarHBondContact NH1-OE2 3.34Å; R326-E330 WeakPolarHBondContact O-CB 3.49Å; R326-E330 WeakPolarHBondContact O-CG 3.44Å; R326-E330 PolarHBondContact O-N 3.02Å; E330-F332 VanDerWaalsContact C-N 3.28Å; E330-F332 PolarHBondContact O-N 3.46Å; E330-S333 WeakPolarHBondContact O-CA 3.25Å; E330-S333 WeakPolarHBondContact O-CB 3.34Å; E330-S333 PolarHBondContact O-N 2.79Å; E330-E334 PolarHBondContact O-N 3.15Å
331	K	94.1	Very high	89.9	Confident	51 Å²	51	46.7 Å²	46.7	22%	0.222	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-30.5	178.9	-166.6	50	164.9	176.6	0	113	L327 E334 L335 V365 V368 W605	L327-K331 WeakPolarHBondContact O-CB 3.44Å; L327-K331 PolarHBondContact O-N 3.28Å; K331-E334 HydrophobicContact CD-CB 4.39Å; K331-E334 WeakPolarHBondContact CD-OE2 3.14Å; K331-E334 WeakPolarHBondContact CE-OE2 3.37Å; K331-E334 IonicContact NZ-OE2 3.81Å; K331-E334 PolarHBondContact NZ-OE2 3.01Å; K331-L335 HydrophobicContact CD-CD1 4.45Å; K331-L335 HydrophobicContact CD-CG 4.49Å; K331-L335 HydrophobicContact CG-CD1 4.12Å; K331-L335 WeakPolarHBondContact O-CB 3.19Å; K331-L335 WeakPolarHBondContact O-CD1 3.45Å; K331-L335 WeakPolarHBondContact O-CG 3.5Å; K331-L335 PolarHBondContact O-N 2.88Å; K331-V365 HydrophobicContact CB-CB 4.31Å; K331-V365 HydrophobicContact CB-CG1 4.19Å; K331-V365 HydrophobicContact CB-CG2 4.08Å; K331-V365 HydrophobicContact CG-CB 4.25Å; K331-V365 HydrophobicContact CG-CG1 4.17Å; K331-V368 HydrophobicContact CB-CG2 4.21Å; K331-V368 HydrophobicContact CG-CG2 4.08Å; K331-W605 HydrophobicContact CG-CH2 4.31Å; K331-W605 HydrophobicContact CG-CZ3 4.07Å
332	F	93.1	Very high	89.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-71.2	-33.4	171.1	-170.5	-112.9	0	0	0	112.5	V328 V329 E330 L335 T336 F339 R346 L349 V368 T370	V328-F332 WeakPolarHBondContact O-CB 3.29Å; V328-F332 PolarHBondContact O-N 3.22Å; V328-F332 VanDerWaalsContact O-N 3.12Å; V329-F332 PolarHBondContact O-N 3.14Å; E330-F332 VanDerWaalsContact C-N 3.28Å; E330-F332 PolarHBondContact O-N 3.46Å; F332-L335 PolarHBondContact O-N 2.97Å; F332-T336 HydrophobicContact CD2-CG2 4.18Å; F332-T336 HydrophobicContact CE1-CG2 4.29Å; F332-T336 HydrophobicContact CE2-CG2 3.77Å; F332-T336 HydrophobicContact CZ-CG2 3.83Å; F332-T336 WeakPolarHBondContact O-CB 3.17Å; F332-T336 WeakPolarHBondContact O-CG2 3.27Å; F332-T336 PolarHBondContact O-N 3.32Å; F332-T336 PolarHBondContact O-OG1 2.92Å; F332-F339 HydrophobicContact CD1-CD1 4.27Å; F332-F339 AromaticContact CD1-CE1 3.82Å; F332-F339 HydrophobicContact CD1-CE1 3.82Å; F332-F339 HydrophobicContact CE1-CD1 4.36Å; F332-F339 HydrophobicContact CE1-CE1 4.31Å; F332-R346 HydrophobicContact CE1-CG 3.78Å; F332-R346 HydrophobicContact CZ-CG 4.11Å; F332-L349 HydrophobicContact CB-CD1 4.03Å; F332-L349 HydrophobicContact CB-CD2 4.32Å; F332-L349 HydrophobicContact CD1-CD1 4.1Å; F332-L349 HydrophobicContact CD1-CD2 4.38Å; F332-L349 HydrophobicContact CD2-CD1 3.88Å; F332-L349 HydrophobicContact CE2-CD1 4.39Å; F332-L349 HydrophobicContact CG-CD1 3.72Å; F332-L349 HydrophobicContact CG-CD2 4.45Å; F332-V368 HydrophobicContact CB-CG1 3.91Å; F332-V368 HydrophobicContact CD2-CG1 3.71Å; F332-V368 HydrophobicContact CG-CG1 4.2Å; F332-T370 HydrophobicContact CD2-CG2 4.36Å; F332-T370 HydrophobicContact CE1-CG2 4.44Å; F332-T370 HydrophobicContact CE2-CG2 3.56Å; F332-T370 HydrophobicContact CZ-CG2 3.61Å
333	S	90.8	Very high	89.7	Confident	18 Å²	18	51.9 Å²	51.9	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-50	172.2	-166.5	0	0	0	0	111.4	V329 E330 L335 T336 D337 N338 F339	V329-S333 PolarHBondContact O-N 2.99Å; E330-S333 WeakPolarHBondContact O-CA 3.25Å; E330-S333 WeakPolarHBondContact O-CB 3.34Å; E330-S333 PolarHBondContact O-N 2.79Å; S333-L335 VanDerWaalsContact C-N 3.35Å; S333-L335 PolarHBondContact O-N 3.33Å; S333-T336 PolarHBondContact O-N 2.76Å; S333-D337 PolarHBondContact O-N 2.94Å; S333-N338 WeakPolarHBondContact O-CA 3.42Å; S333-N338 PolarHBondContact O-N 2.58Å; S333-N338 PolarHBondContact OG-OD1 2.86Å; S333-F339 VanDerWaalsContact CB-CE2 3.42Å; S333-F339 WeakPolarHBondContact OG-CE2 3.11Å
334	E	92.3	Very high	89.5	Confident	112 Å²	112	51.8 Å²	51.8	52%	0.523	27%	0.27	S	S	.	.	H	α-helix	trans	-55.5	-48.1	176	-69.3	171.7	-145.7	0	0	111.9	E330 K331 T336	E330-E334 PolarHBondContact O-N 3.15Å; K331-E334 HydrophobicContact CD-CB 4.39Å; K331-E334 WeakPolarHBondContact CD-OE2 3.14Å; K331-E334 WeakPolarHBondContact CE-OE2 3.37Å; K331-E334 IonicContact NZ-OE2 3.81Å; K331-E334 PolarHBondContact NZ-OE2 3.01Å; E334-T336 PolarHBondContact O-N 3.03Å
335	L	91.3	Very high	89.1	Confident	35 Å²	35	59.4 Å²	59.4	18%	0.183	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-2.9	-176.7	-68.6	167.4	0	0	0	114.2	K331 F332 S333 V368 W605 L612	K331-L335 HydrophobicContact CD-CD1 4.45Å; K331-L335 HydrophobicContact CD-CG 4.49Å; K331-L335 HydrophobicContact CG-CD1 4.12Å; K331-L335 WeakPolarHBondContact O-CB 3.19Å; K331-L335 WeakPolarHBondContact O-CD1 3.45Å; K331-L335 WeakPolarHBondContact O-CG 3.5Å; K331-L335 PolarHBondContact O-N 2.88Å; F332-L335 PolarHBondContact O-N 2.97Å; S333-L335 VanDerWaalsContact C-N 3.35Å; S333-L335 PolarHBondContact O-N 3.33Å; L335-V368 HydrophobicContact CD1-CB 4.46Å; L335-V368 HydrophobicContact CD1-CG2 4.49Å; L335-W605 HydrophobicContact CD1-CB 3.89Å; L335-W605 HydrophobicContact CD1-CD2 3.58Å; L335-W605 HydrophobicContact CD1-CE3 3.92Å; L335-W605 HydrophobicContact CD1-CG 3.56Å; L335-W605 HydrophobicContact CD2-CD2 4.36Å; L335-W605 HydrophobicContact CD2-CG 4.11Å; L335-L612 HydrophobicContact CB-CD1 4.46Å; L335-L612 HydrophobicContact CB-CD2 3.79Å; L335-L612 HydrophobicContact CB-CG 4.19Å; L335-L612 HydrophobicContact CD1-CD2 4.02Å; L335-L612 HydrophobicContact CD2-CD2 4.37Å; L335-L612 HydrophobicContact CG-CD2 4.29Å; L335-L612 WeakPolarHBondContact O-CD1 3.49Å
336	T	89.2	Confident	88.8	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	24.9	-176.6	60.7	0	0	0	0	113.5	F332 S333 E334 N338 F339 T340 S341 A344 L612	F332-T336 HydrophobicContact CD2-CG2 4.18Å; F332-T336 HydrophobicContact CE1-CG2 4.29Å; F332-T336 HydrophobicContact CE2-CG2 3.77Å; F332-T336 HydrophobicContact CZ-CG2 3.83Å; F332-T336 WeakPolarHBondContact O-CB 3.17Å; F332-T336 WeakPolarHBondContact O-CG2 3.27Å; F332-T336 PolarHBondContact O-N 3.32Å; F332-T336 PolarHBondContact O-OG1 2.92Å; S333-T336 PolarHBondContact O-N 2.76Å; E334-T336 PolarHBondContact O-N 3.03Å; T336-N338 VanDerWaalsContact C-N 3.34Å; T336-N338 PolarHBondContact O-N 2.92Å; T336-F339 CarbonylContact O-C 3.54Å; T336-F339 PolarHBondContact O-N 2.65Å; T336-F339 VanDerWaalsContact O-N 3.15Å; T336-F339 PolarHBondContact OG1-N 3.14Å; T336-T340 PolarHBondContact O-N 2.89Å; T336-T340 VanDerWaalsContact O-N 3.15Å; T336-S341 VanDerWaalsContact O-CB 3.3Å; T336-S341 WeakPolarHBondContact O-CB 3.26Å; T336-S341 PolarHBondContact O-N 2.68Å; T336-A344 HydrophobicContact CG2-CB 4.23Å; T336-L612 HydrophobicContact CG2-CD1 3.89Å
337	D	87.9	Confident	88.7	Confident	110 Å²	110	59 Å²	59	59%	0.588	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	48.4	178.1	-53.4	-61.2	0	0	0	111.9	S333 T340	S333-D337 PolarHBondContact O-N 2.94Å; D337-T340 WeakPolarHBondContact CB-OG1 3.11Å; D337-T340 WeakPolarHBondContact O-CB 3.38Å; D337-T340 WeakPolarHBondContact O-CG2 3.43Å; D337-T340 PolarHBondContact O-N 3.37Å; D337-T340 PolarHBondContact O-OG1 3.32Å
338	N	85.8	Confident	88.6	Confident	119 Å²	119	57.9 Å²	57.9	64%	0.636	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	52.5	-172.4	-63.4	-59.5	0	0	0	113.1	S333 T336 T340	S333-N338 WeakPolarHBondContact O-CA 3.42Å; S333-N338 PolarHBondContact O-N 2.58Å; S333-N338 PolarHBondContact OG-OD1 2.86Å; T336-N338 VanDerWaalsContact C-N 3.34Å; T336-N338 PolarHBondContact O-N 2.92Å; N338-T340 PolarHBondContact O-N 2.83Å
339	F	82.1	Confident	88.6	Confident	56 Å²	56	57.9 Å²	57.9	25%	0.246	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	8.5	-179.3	-48.9	-90.3	0	0	0	115.6	V329 F332 S333 T336 A344	V329-F339 HydrophobicContact CG1-CZ 4.18Å; F332-F339 HydrophobicContact CD1-CD1 4.27Å; F332-F339 AromaticContact CD1-CE1 3.82Å; F332-F339 HydrophobicContact CD1-CE1 3.82Å; F332-F339 HydrophobicContact CE1-CD1 4.36Å; F332-F339 HydrophobicContact CE1-CE1 4.31Å; S333-F339 VanDerWaalsContact CB-CE2 3.42Å; S333-F339 WeakPolarHBondContact OG-CE2 3.11Å; T336-F339 CarbonylContact O-C 3.54Å; T336-F339 PolarHBondContact O-N 2.65Å; T336-F339 VanDerWaalsContact O-N 3.15Å; T336-F339 PolarHBondContact OG1-N 3.14Å; F339-A344 HydrophobicContact CB-CB 4.08Å; F339-A344 HydrophobicContact CD1-CB 4.48Å; F339-A344 WeakPolarHBondContact O-CB 3.49Å
340	T	82	Confident	88.8	Confident	112 Å²	112	56 Å²	56	69%	0.687	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-25.2	178.7	64.8	0	0	0	0	113.2	T336 D337 N338	T336-T340 PolarHBondContact O-N 2.89Å; T336-T340 VanDerWaalsContact O-N 3.15Å; D337-T340 WeakPolarHBondContact CB-OG1 3.11Å; D337-T340 WeakPolarHBondContact O-CB 3.38Å; D337-T340 WeakPolarHBondContact O-CG2 3.43Å; D337-T340 PolarHBondContact O-N 3.37Å; D337-T340 PolarHBondContact O-OG1 3.32Å; N338-T340 PolarHBondContact O-N 2.83Å
341	S	86.8	Confident	89	Confident	22 Å²	22	52.3 Å²	52.3	15%	0.154	26%	0.264	C	S	.	.	S	Bend	trans	-61.3	140.7	176.5	178.3	0	0	0	0	112.1	T336 H343 A344	T336-S341 VanDerWaalsContact O-CB 3.3Å; T336-S341 WeakPolarHBondContact O-CB 3.26Å; T336-S341 PolarHBondContact O-N 2.68Å; S341-H343 PolarHBondContact O-N 3.31Å; S341-A344 WeakPolarHBondContact O-CB 3.01Å; S341-A344 PolarHBondContact O-N 3.14Å
342	P	85.2	Confident	89.1	Confident	97 Å²	97	49.9 Å²	49.9	63%	0.63	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-58.6	-24.2	177.3	24.5	-34.9	0	0	0	113.3	A344 R345	P342-A344 VanDerWaalsContact C-N 3.29Å; P342-A344 PolarHBondContact O-N 3.47Å; P342-R345 PolarHBondContact O-N 3.21Å
343	H	86.4	Confident	89.2	Confident	58 Å²	58	49.9 Å²	49.9	27%	0.269	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-78.6	-9.6	177.4	-54.3	-64.4	0	0	0	113.6	S341 R345 F601 V603 V614	S341-H343 PolarHBondContact O-N 3.31Å; H343-R345 PolarHBondContact O-N 3.37Å; H343-F601 HydrophobicContact CB-CE2 4.4Å; H343-V603 HydrophobicContact CB-CG2 4.11Å; H343-V614 HydrophobicContact CB-CG2 4.48Å
344	A	85.3	Confident	89.4	Confident	11 Å²	11	50.1 Å²	50.1	9%	0.091	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63.4	-25.7	169.9	0	0	0	0	0	112.8	T336 F339 S341 P342 R346	T336-A344 HydrophobicContact CG2-CB 4.23Å; F339-A344 HydrophobicContact CB-CB 4.08Å; F339-A344 HydrophobicContact CD1-CB 4.48Å; F339-A344 WeakPolarHBondContact O-CB 3.49Å; S341-A344 WeakPolarHBondContact O-CB 3.01Å; S341-A344 PolarHBondContact O-N 3.14Å; P342-A344 VanDerWaalsContact C-N 3.29Å; P342-A344 PolarHBondContact O-N 3.47Å; A344-R346 WeakPolarHBondContact O-CG 3.49Å; A344-R346 PolarHBondContact O-N 2.96Å
345	R	84.5	Confident	89.3	Confident	159 Å²	159	44.8 Å²	44.8	60%	0.6	23%	0.227	S	C	*	.			trans	-66.3	89.3	-176.8	-175.7	-175	163.4	171.8	-4.7	111.7	P342 H343 K597 P599 F601	P342-R345 PolarHBondContact O-N 3.21Å; H343-R345 PolarHBondContact O-N 3.37Å; R345-K597 PolarHBondContact NH2-O 3.3Å; R345-K597 VanDerWaalsContact NH2-O 3.09Å; R345-P599 WeakPolarHBondContact O-CG 3.24Å; R345-F601 HydrophobicContact CB-CZ 4.43Å
346	R	86.4	Confident	89	Confident	64 Å²	64	44.9 Å²	44.9	24%	0.242	23%	0.233	C	C	.	.			trans	-112.5	156.5	179.5	58.3	77.1	172.9	-160.4	-0.6	113.4	F332 A344 T370 S446 E591	F332-R346 HydrophobicContact CE1-CG 3.78Å; F332-R346 HydrophobicContact CZ-CG 4.11Å; A344-R346 WeakPolarHBondContact O-CG 3.49Å; A344-R346 PolarHBondContact O-N 2.96Å; R346-T370 HydrophobicContact CB-CG2 3.66Å; R346-T370 HydrophobicContact CG-CG2 4.1Å; R346-S446 PolarHBondContact NH1-OG 2.76Å; R346-S446 VanDerWaalsContact NH1-OG 3.12Å; R346-E591 IonicContact CZ-OE1 2.73Å; R346-E591 VanDerWaalsContact CZ-OE1 3.27Å; R346-E591 IonicContact CZ-OE2 3.68Å; R346-E591 IonicContact NH1-OE1 3.15Å; R346-E591 PolarHBondContact NH1-OE1 3.34Å; R346-E591 IonicContact NH1-OE2 3.05Å; R346-E591 PolarHBondContact NH1-OE2 3.07Å; R346-E591 IonicContact NH2-OE1 3.67Å; R346-E591 PolarHBondContact NH2-OE1 2.97Å; R346-E591 IonicContact NH2-OE2 3.29Å
347	K	88.3	Confident	88.4	Confident	66 Å²	66	45.8 Å²	45.8	29%	0.287	24%	0.243	S	C	.	.	S	Bend	trans	-112.3	-28.3	171.2	-168.4	171.3	-171.4	170.8	0	112.9	T372 E487 G596 A598	K347-T372 HydrophobicContact CB-CG2 4.09Å; K347-E487 WeakPolarHBondContact CE-OE2 3.42Å; K347-E487 IonicContact NZ-OE1 2.89Å; K347-E487 PolarHBondContact NZ-OE1 3.33Å; K347-E487 IonicContact NZ-OE2 2.74Å; K347-E487 PolarHBondContact NZ-OE2 2.62Å; K347-G596 PolarHBondContact NZ-O 3.45Å; K347-A598 HydrophobicContact CB-CB 4.49Å; K347-A598 HydrophobicContact CD-CB 3.81Å
348	V	91.6	Very high	87.9	Confident	9 Å²	9	44.9 Å²	44.9	6%	0.055	25%	0.245	C	C	.	.			trans	-135.6	134.3	167.4	-179.3	0	0	0	0	107	T370 G371 T372 A392 I445 T447	V348-T370 WeakPolarHBondContact O-CA 3.25Å; V348-G371 PolarHBondContact O-N 3.31Å; V348-T372 HydrophobicContact CB-CG2 3.81Å; V348-T372 HydrophobicContact CG2-CG2 3.43Å; V348-T372 VanDerWaalsContact CG2-CG2 3.43Å; V348-A392 HydrophobicContact CB-CB 4.48Å; V348-A392 HydrophobicContact CG1-CB 4.02Å; V348-I445 HydrophobicContact CG1-CG2 3.99Å; V348-T447 HydrophobicContact CB-CG2 4.36Å; V348-T447 HydrophobicContact CG1-CG2 4.05Å; V348-T447 HydrophobicContact CG2-CG2 3.51Å
349	L	93.9	Very high	87.6	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	140.4	169.4	173.1	68.6	0	0	0	107.3	V328 V329 F332 V368 T370 Y444 S446	V328-L349 HydrophobicContact CG1-CD2 4.38Å; V328-L349 HydrophobicContact CG1-CG 4.3Å; V329-L349 HydrophobicContact CG2-CD2 3.85Å; F332-L349 HydrophobicContact CB-CD1 4.03Å; F332-L349 HydrophobicContact CB-CD2 4.32Å; F332-L349 HydrophobicContact CD1-CD1 4.1Å; F332-L349 HydrophobicContact CD1-CD2 4.38Å; F332-L349 HydrophobicContact CD2-CD1 3.88Å; F332-L349 HydrophobicContact CE2-CD1 4.39Å; F332-L349 HydrophobicContact CG-CD1 3.72Å; F332-L349 HydrophobicContact CG-CD2 4.45Å; L349-V368 HydrophobicContact CD1-CG1 3.81Å; L349-T370 HydrophobicContact CD1-CG2 3.94Å; L349-Y444 HydrophobicContact CD2-CE1 4.4Å; L349-S446 PolarHBondContact N-OG 2.77Å; L349-S446 WeakPolarHBondContact O-CB 3.3Å; L349-S446 PolarHBondContact O-N 2.86Å
350	A	95.8	Very high	87.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149.3	171.7	0	0	0	0	0	110.2	S369 A392 E393 A396 Y444 I445	A350-S369 PolarHBondContact N-O 3.32Å; A350-S369 PolarHBondContact O-N 3.01Å; A350-S369 VanDerWaalsContact O-O 3.09Å; A350-S369 PolarHBondContact O-OG 2.96Å; A350-A392 HydrophobicContact CB-CB 3.52Å; A350-E393 HydrophobicContact CB-CB 4.42Å; A350-A396 HydrophobicContact CB-CB 4.38Å; A350-Y444 WeakPolarHBondContact CA-O 3.38Å; A350-Y444 WeakPolarHBondContact CB-O 3.38Å; A350-I445 HydrophobicContact CB-CG2 4.37Å
351	G	95.8	Very high	87.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	167.8	179.5	0	0	0	0	0	111.6	C367 Y444	G351-C367 CarbonylContact C-O 3.56Å; G351-C367 WeakPolarHBondContact CA-O 3.42Å; G351-Y444 PolarHBondContact N-O 2.83Å; G351-Y444 PolarHBondContact O-N 2.67Å
352	V	96.5	Very high	87.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.1	174.7	-179.6	0	0	0	0	108.7	V366 C367 A396 L400 F441 H442 L443 F545	V352-V366 PolarHBondContact O-N 3.35Å; V352-C367 PolarHBondContact N-O 2.9Å; V352-C367 PolarHBondContact O-N 3.42Å; V352-A396 HydrophobicContact CG2-CB 4.4Å; V352-L400 HydrophobicContact CG1-CD1 4.06Å; V352-L400 HydrophobicContact CG1-CD2 4.01Å; V352-L400 HydrophobicContact CG2-CD2 4.17Å; V352-F441 HydrophobicContact CG1-CB 4.12Å; V352-F441 HydrophobicContact CG1-CD1 4.07Å; V352-H442 WeakPolarHBondContact CA-O 3.11Å; V352-L443 HydrophobicContact CG2-CD1 3.96Å; V352-F545 HydrophobicContact CG1-CE1 3.97Å; V352-F545 HydrophobicContact CG2-CE1 3.89Å; V352-F545 HydrophobicContact CG2-CZ 4.25Å
353	V	95.8	Very high	87.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.6	173.9	178.9	0	0	0	0	108.2	V324 L327 V328 A363 Q364 V365 H442	V324-V353 HydrophobicContact CB-CG2 4.4Å; V324-V353 HydrophobicContact CG1-CB 4.06Å; V324-V353 HydrophobicContact CG1-CG2 3.82Å; V324-V353 HydrophobicContact CG2-CB 4.09Å; V324-V353 HydrophobicContact CG2-CG1 4.12Å; V324-V353 HydrophobicContact CG2-CG2 4.45Å; L327-V353 HydrophobicContact CD1-CG1 4.38Å; V328-V353 HydrophobicContact CG2-CG2 3.57Å; V353-A363 HydrophobicContact CG1-CB 3.74Å; V353-Q364 CarbonylContact C-O 3.16Å; V353-Q364 WeakPolarHBondContact CA-O 3.33Å; V353-V365 HydrophobicContact CG2-CG2 4.22Å; V353-H442 PolarHBondContact N-O 2.93Å; V353-H442 PolarHBondContact O-N 2.97Å
354	M	93.9	Very high	87.9	Confident	22 Å²	22	46 Å²	46	11%	0.108	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	131.7	173.3	-179.5	179.8	77.4	0	0	108.6	A363 Q364 V366 F403 I423 V439 Q440 F441	M354-A363 CarbonylContact O-C 3.6Å; M354-A363 WeakPolarHBondContact O-CA 3.43Å; M354-Q364 PolarHBondContact N-O 3.27Å; M354-Q364 PolarHBondContact O-N 2.94Å; M354-V366 HydrophobicContact CB-CG2 3.52Å; M354-F403 HydrophobicContact SD-CE1 4.24Å; M354-F403 HydrophobicContact SD-CZ 4.16Å; M354-I423 HydrophobicContact CE-CG2 4.21Å; M354-I423 HydrophobicContact SD-CG2 3.63Å; M354-V439 HydrophobicContact CG-CG1 3.7Å; M354-V439 HydrophobicContact SD-CG1 3.79Å; M354-Q440 CarbonylContact C-O 3.56Å; M354-Q440 VanDerWaalsContact CA-O 3.31Å; M354-Q440 WeakPolarHBondContact CA-O 3.15Å; M354-F441 HydrophobicContact CB-CD1 4.02Å; M354-F441 HydrophobicContact CB-CE1 3.92Å; M354-F441 HydrophobicContact CG-CD1 4.23Å; M354-F441 HydrophobicContact CG-CE1 3.84Å; M354-F441 HydrophobicContact CG-CZ 4.49Å; M354-F441 HydrophobicContact SD-CE1 3.92Å; M354-F441 HydrophobicContact SD-CZ 4.27Å
355	T	90.8	Very high	88.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	149.5	162.3	54.5	0	0	0	0	109.5	L320 A363 V439 Q440 H442	L320-T355 HydrophobicContact CD1-CG2 4.49Å; T355-A363 HydrophobicContact CG2-CB 3.8Å; T355-V439 WeakPolarHBondContact O-CA 3.42Å; T355-Q440 PolarHBondContact N-O 3.49Å; T355-Q440 PolarHBondContact O-N 3.16Å; T355-H442 WeakPolarHBondContact CB-NE2 3.36Å; T355-H442 WeakPolarHBondContact CG2-NE2 3.43Å; T355-H442 PolarHBondContact OG1-NE2 3.38Å
356	A	84.6	Confident	88.9	Confident	37 Å²	37	38.6 Å²	38.6	31%	0.306	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.9	163.8	0	0	0	0	0	107.3	N438	A356-N438 CarbonylContact C-O 3.59Å; A356-N438 WeakPolarHBondContact CA-O 3.19Å
357	G	77.9	Confident	89.4	Confident	19 Å²	19	35.6 Å²	35.6	20%	0.196	19%	0.191	C	C	.	.	S	Bend	trans	71	-156.2	-179	0	0	0	0	0	114.3	H315 N438	H315-G357 PolarHBondContact CE1-O 2.9Å; G357-N438 PolarHBondContact N-O 3.44Å
358	S	76.4	Confident	89.8	Confident	91 Å²	91	32.5 Å²	32.5	64%	0.636	18%	0.178	S	C	*	.	S	Bend	trans	-98.3	-17.4	-165.2	52	0	0	0	0	115.7	H315	H315-S358 PolarHBondContact CE1-O 2.91Å; H315-S358 PolarHBondContact ND1-O 2.88Å
359	D	79.6	Confident	90.1	Very high	59 Å²	59	32.1 Å²	32.1	32%	0.316	18%	0.176	S	C	.	.			trans	-84.9	123.9	176.6	-163	-11.1	0	0	0	111.5	K361 E362	D359-K361 PolarHBondContact O-N 3.14Å; D359-K361 WeakPolarHBondContact OD1-CB 3.38Å; D359-K361 VanDerWaalsContact OD1-CG 3.32Å; D359-K361 WeakPolarHBondContact OD1-CG 3.34Å; D359-K361 PolarHBondContact OD1-N 2.77Å; D359-K361 IonicContact OD1-NZ 3.59Å; D359-K361 PolarHBondContact OD1-NZ 2.81Å; D359-K361 IonicContact OD2-NZ 3.75Å; D359-K361 PolarHBondContact OD2-NZ 3.01Å; D359-E362 PolarHBondContact O-N 3.4Å
360	V	80.4	Confident	90.1	Very high	27 Å²	27	32.1 Å²	32.1	16%	0.164	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-68.8	-14.7	176.5	-174.1	0	0	0	0	111.4	H315 L320 A323 E362 A363	H315-V360 HydrophobicContact CB-CG2 3.97Å; H315-V360 WeakPolarHBondContact ND1-CG2 3.29Å; L320-V360 HydrophobicContact CD1-CG1 4.37Å; A323-V360 HydrophobicContact CB-CG1 3.42Å; A323-V360 VanDerWaalsContact CB-CG1 3.42Å; V360-E362 VanDerWaalsContact C-N 3.32Å; V360-E362 PolarHBondContact O-N 3.21Å; V360-A363 WeakPolarHBondContact O-CB 3.29Å; V360-A363 PolarHBondContact O-N 3.09Å
361	K	80.8	Confident	90	Very high	173 Å²	173	32.1 Å²	32.1	75%	0.752	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-68.7	-26.5	174.7	-63.7	-177.2	-139.7	77.8	0	113.8	D359 A363	D359-K361 PolarHBondContact O-N 3.14Å; D359-K361 WeakPolarHBondContact OD1-CB 3.38Å; D359-K361 VanDerWaalsContact OD1-CG 3.32Å; D359-K361 WeakPolarHBondContact OD1-CG 3.34Å; D359-K361 PolarHBondContact OD1-N 2.77Å; D359-K361 IonicContact OD1-NZ 3.59Å; D359-K361 PolarHBondContact OD1-NZ 2.81Å; D359-K361 IonicContact OD2-NZ 3.75Å; D359-K361 PolarHBondContact OD2-NZ 3.01Å; K361-A363 PolarHBondContact O-N 3.15Å
362	E	84.3	Confident	89.8	Confident	130 Å²	130	32.5 Å²	32.5	61%	0.607	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-82.4	6	178.1	-60.1	-171.4	-177.8	0	0	112.7	D359 V360 Q364	D359-E362 PolarHBondContact O-N 3.4Å; V360-E362 VanDerWaalsContact C-N 3.32Å; V360-E362 PolarHBondContact O-N 3.21Å; E362-Q364 PolarHBondContact O-N 2.93Å
363	A	90.3	Very high	89.5	Confident	10 Å²	10	33.7 Å²	33.7	8%	0.083	18%	0.184	C	C	.	.			trans	-67.9	114.4	-179.4	0	0	0	0	0	112.5	L327 V353 M354 T355 V360 K361	L327-A363 HydrophobicContact CD1-CB 3.66Å; V353-A363 HydrophobicContact CG1-CB 3.74Å; M354-A363 CarbonylContact O-C 3.6Å; M354-A363 WeakPolarHBondContact O-CA 3.43Å; T355-A363 HydrophobicContact CG2-CB 3.8Å; V360-A363 WeakPolarHBondContact O-CB 3.29Å; V360-A363 PolarHBondContact O-N 3.09Å; K361-A363 PolarHBondContact O-N 3.15Å
364	Q	93	Very high	89.3	Confident	88 Å²	88	34.4 Å²	34.4	41%	0.411	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.6	-177.2	-172.4	179.8	75.8	0	0	111.9	V353 M354 E362 V366 I607	V353-Q364 CarbonylContact C-O 3.16Å; V353-Q364 WeakPolarHBondContact CA-O 3.33Å; M354-Q364 PolarHBondContact N-O 3.27Å; M354-Q364 PolarHBondContact O-N 2.94Å; E362-Q364 PolarHBondContact O-N 2.93Å; Q364-V366 PolarHBondContact O-N 2.97Å; Q364-I607 HydrophobicContact CG-CD1 3.87Å; Q364-I607 VanDerWaalsContact OE1-CD1 3.32Å
365	V	95.8	Very high	89.3	Confident	16 Å²	16	33.4 Å²	33.4	10%	0.097	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	110.3	175.3	-171.8	0	0	0	0	110.1	L327 V328 K331 V353 V368 W605	L327-V365 HydrophobicContact CB-CG2 3.79Å; V328-V365 HydrophobicContact CG2-CG1 4.38Å; K331-V365 HydrophobicContact CB-CB 4.31Å; K331-V365 HydrophobicContact CB-CG1 4.19Å; K331-V365 HydrophobicContact CB-CG2 4.08Å; K331-V365 HydrophobicContact CG-CB 4.25Å; K331-V365 HydrophobicContact CG-CG1 4.17Å; V353-V365 HydrophobicContact CG2-CG2 4.22Å; V365-V368 HydrophobicContact CG1-CG2 3.56Å; V365-W605 HydrophobicContact CG1-CZ3 4.26Å
366	V	95.6	Very high	89.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-40.3	-179.3	176.7	0	0	0	0	111.6	V352 M354 Q364 L400 F403 F441 T606 I607	V352-V366 PolarHBondContact O-N 3.35Å; M354-V366 HydrophobicContact CB-CG2 3.52Å; Q364-V366 PolarHBondContact O-N 2.97Å; V366-L400 HydrophobicContact CB-CD1 4.48Å; V366-L400 HydrophobicContact CG1-CD1 3.72Å; V366-F403 HydrophobicContact CG1-CB 3.68Å; V366-F403 HydrophobicContact CG1-CD1 3.45Å; V366-F403 VanDerWaalsContact CG1-CD1 3.45Å; V366-F403 HydrophobicContact CG1-CD2 3.8Å; V366-F403 HydrophobicContact CG1-CE1 3.91Å; V366-F403 HydrophobicContact CG1-CE2 4.22Å; V366-F403 HydrophobicContact CG1-CG 3.37Å; V366-F403 HydrophobicContact CG1-CZ 4.27Å; V366-F403 HydrophobicContact CG2-CE1 4.17Å; V366-F403 HydrophobicContact CG2-CZ 4.25Å; V366-F441 HydrophobicContact CG2-CE1 4.31Å; V366-T606 CarbonylContact O-C 3.48Å; V366-T606 WeakPolarHBondContact O-CA 3.48Å; V366-I607 HydrophobicContact CG1-CG2 4.43Å; V366-I607 PolarHBondContact O-N 3.14Å
367	C	96.6	Very high	89.3	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	154	179.2	67.8	0	0	0	0	113	G351 V352 A396 S399 W605	G351-C367 CarbonylContact C-O 3.56Å; G351-C367 WeakPolarHBondContact CA-O 3.42Å; V352-C367 PolarHBondContact N-O 2.9Å; V352-C367 PolarHBondContact O-N 3.42Å; C367-A396 PolarHBondContact SG-O 3.01Å; C367-S399 VanDerWaalsContact CB-CB 3.43Å; C367-W605 VanDerWaalsContact CA-O 3.31Å; C367-W605 WeakPolarHBondContact CA-O 3.42Å; C367-W605 VanDerWaalsContact CB-O 3.25Å; C367-W605 WeakPolarHBondContact CB-O 3.32Å
368	V	97.3	Very high	89.7	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.1	178.3	-177.2	0	0	0	0	108.4	K331 F332 L335 L349 V365 N604 W605	K331-V368 HydrophobicContact CB-CG2 4.21Å; K331-V368 HydrophobicContact CG-CG2 4.08Å; F332-V368 HydrophobicContact CB-CG1 3.91Å; F332-V368 HydrophobicContact CD2-CG1 3.71Å; F332-V368 HydrophobicContact CG-CG1 4.2Å; L335-V368 HydrophobicContact CD1-CB 4.46Å; L335-V368 HydrophobicContact CD1-CG2 4.49Å; L349-V368 HydrophobicContact CD1-CG1 3.81Å; V365-V368 HydrophobicContact CG1-CG2 3.56Å; V368-N604 CarbonylContact O-C 3.46Å; V368-W605 HydrophobicContact CB-CE3 4.24Å; V368-W605 HydrophobicContact CG2-CE3 3.94Å; V368-W605 HydrophobicContact CG2-CZ3 4.3Å; V368-W605 PolarHBondContact N-O 3.31Å; V368-W605 VanDerWaalsContact N-O 3.07Å; V368-W605 PolarHBondContact O-N 3.06Å
369	S	96.4	Very high	90.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	156	-176.2	61.9	0	0	0	0	113.8	A350 A392 A396 V603	A350-S369 PolarHBondContact N-O 3.32Å; A350-S369 PolarHBondContact O-N 3.01Å; A350-S369 VanDerWaalsContact O-O 3.09Å; A350-S369 PolarHBondContact O-OG 2.96Å; S369-A392 PolarHBondContact OG-O 2.73Å; S369-A396 WeakPolarHBondContact OG-CB 3.16Å; S369-A396 PolarHBondContact OG-N 2.79Å; S369-V603 CarbonylContact C-O 3.5Å; S369-V603 WeakPolarHBondContact CA-O 3.49Å; S369-V603 WeakPolarHBondContact CB-O 3.21Å
370	T	95.1	Very high	90.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	160.8	175.4	71.5	0	0	0	0	110.7	F332 R346 V348 L349 S602 V603	F332-T370 HydrophobicContact CD2-CG2 4.36Å; F332-T370 HydrophobicContact CE1-CG2 4.44Å; F332-T370 HydrophobicContact CE2-CG2 3.56Å; F332-T370 HydrophobicContact CZ-CG2 3.61Å; R346-T370 HydrophobicContact CB-CG2 3.66Å; R346-T370 HydrophobicContact CG-CG2 4.1Å; V348-T370 WeakPolarHBondContact O-CA 3.25Å; L349-T370 HydrophobicContact CD1-CG2 3.94Å; T370-S602 VanDerWaalsContact O-CA 3.24Å; T370-S602 WeakPolarHBondContact O-CA 3.34Å; T370-S602 VanDerWaalsContact O-CB 3.26Å; T370-S602 WeakPolarHBondContact O-CB 3.41Å; T370-S602 PolarHBondContact O-OG 3.04Å; T370-V603 HydrophobicContact CG2-CB 4.38Å; T370-V603 PolarHBondContact N-O 2.72Å; T370-V603 PolarHBondContact O-N 2.81Å; T370-V603 WeakPolarHBondContact OG1-CB 3.48Å; T370-V603 WeakPolarHBondContact OG1-CG2 3.49Å; T370-V603 PolarHBondContact OG1-N 2.85Å; T370-V603 VanDerWaalsContact OG1-N 3.13Å
371	G	92.6	Very high	91.3	Very high	1 Å²	1	36 Å²	36	1%	0.01	17%	0.168	C	C	.	.			trans	138.7	159.9	172.7	0	0	0	0	0	113.5	V348 C390 H391 A392	V348-G371 PolarHBondContact O-N 3.31Å; G371-C390 CarbonylContact C-O 3.32Å; G371-C390 VanDerWaalsContact CA-O 3.24Å; G371-C390 WeakPolarHBondContact CA-O 3.33Å; G371-H391 WeakPolarHBondContact O-CA 3.06Å; G371-A392 PolarHBondContact O-N 2.78Å
372	T	91.8	Very high	91.7	Very high	8 Å²	8	31.4 Å²	31.4	5%	0.049	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	17.4	-169.8	48.7	0	0	0	0	114	K347 V348 C390 H391 A598	K347-T372 HydrophobicContact CB-CG2 4.09Å; V348-T372 HydrophobicContact CB-CG2 3.81Å; V348-T372 HydrophobicContact CG2-CG2 3.43Å; V348-T372 VanDerWaalsContact CG2-CG2 3.43Å; T372-C390 PolarHBondContact N-O 2.9Å; T372-H391 VanDerWaalsContact C-CD2 3.47Å; T372-H391 VanDerWaalsContact C-NE2 3.34Å; T372-H391 PolarHBondContact O-CE1 2.88Å; T372-H391 PolarHBondContact O-NE2 2.7Å; T372-A598 VanDerWaalsContact OG1-CB 3.28Å; T372-A598 WeakPolarHBondContact OG1-CB 3.19Å
373	K	91.7	Very high	92	Very high	25 Å²	25	32.4 Å²	32.4	11%	0.109	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	165	-171.6	-65.7	-169.8	179.2	-162.1	0	112	C390 H391 N600 A617	K373-C390 CarbonylContact O-C 3.51Å; K373-C390 VanDerWaalsContact O-C 3.24Å; K373-C390 WeakPolarHBondContact O-CA 3.44Å; K373-C390 PolarHBondContact O-N 2.91Å; K373-H391 PolarHBondContact N-CD2 3.37Å; K373-H391 PolarHBondContact O-CD2 3.5Å; K373-H391 PolarHBondContact O-N 3.21Å; K373-N600 PolarHBondContact NZ-OD1 3.38Å; K373-A617 HydrophobicContact CB-CB 3.76Å
374	C	91.4	Very high	92	Very high	14 Å²	14	31.9 Å²	31.9	10%	0.095	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	165.8	172.7	-68.6	0	0	0	0	110.1	N388 D389 K482 A617	C374-N388 WeakPolarHBondContact CB-O 3.06Å; C374-D389 PolarHBondContact SG-OD1 2.97Å; C374-D389 VanDerWaalsContact SG-OD1 3.38Å; C374-K482 WeakPolarHBondContact SG-CD 3.24Å; C374-A617 CarbonylContact C-O 3.56Å; C374-A617 VanDerWaalsContact O-O 3.11Å
375	I	92.3	Very high	92.1	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.135	C	C	.	.			trans	-59.4	155.2	175.3	-151.6	172.6	0	0	0	110.9	Y379 M380 A386 N388 L510 A617 T618 T619	I375-Y379 VanDerWaalsContact CD1-O 3.25Å; I375-Y379 WeakPolarHBondContact CD1-O 3.13Å; I375-M380 HydrophobicContact CG2-CG 4.36Å; I375-A386 HydrophobicContact CD1-CB 3.67Å; I375-N388 HydrophobicContact CG2-CB 4.36Å; I375-N388 PolarHBondContact N-O 3.47Å; I375-L510 HydrophobicContact CG2-CD2 3.38Å; I375-L510 VanDerWaalsContact O-CD2 3.23Å; I375-L510 WeakPolarHBondContact O-CD2 3.48Å; I375-A617 WeakPolarHBondContact CA-O 3.21Å; I375-A617 PolarHBondContact N-O 2.87Å; I375-T618 WeakPolarHBondContact CA-O 3.2Å; I375-T618 WeakPolarHBondContact CG1-O 3.45Å; I375-T619 WeakPolarHBondContact CD1-O 3.15Å
376	N	90.1	Very high	92	Very high	30 Å²	30	28.6 Å²	28.6	16%	0.16	13%	0.131	C	C	.	.			trans	-76.7	143.5	161.6	179.7	-8	0	0	0	109.4	E378 Y379 E484 T618	N376-E378 PolarHBondContact ND2-OE2 3.41Å; N376-E378 PolarHBondContact O-N 2.92Å; N376-E378 PolarHBondContact OD1-N 3.32Å; N376-E378 VanDerWaalsContact OD1-N 3.16Å; N376-Y379 HydrophobicContact CB-CD2 3.9Å; N376-Y379 HydrophobicContact CB-CE2 4.45Å; N376-Y379 PolarHBondContact O-N 2.91Å; N376-E484 WeakPolarHBondContact CA-OE1 3.16Å; N376-E484 PolarHBondContact OD1-OE1 3.03Å; N376-T618 HydrophobicContact CB-CG2 4.12Å; N376-T618 PolarHBondContact N-O 3.3Å
377	G	85.7	Confident	92	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-48.1	-45.2	172.7	0	0	0	0	0	112.9	Y379 M380 E484 L505	G377-Y379 PolarHBondContact O-N 3.35Å; G377-Y379 VanDerWaalsContact O-N 3.12Å; G377-M380 WeakPolarHBondContact O-CB 3.41Å; G377-M380 WeakPolarHBondContact O-CG 3.49Å; G377-M380 PolarHBondContact O-N 3.21Å; G377-E484 PolarHBondContact N-OE1 3.25Å; G377-L505 WeakPolarHBondContact O-CD2 3.29Å
378	E	87.3	Confident	91.8	Very high	114 Å²	114	29.7 Å²	29.7	53%	0.533	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-54.8	-28.8	178.1	-63.3	168.4	171.2	0	0	114	N376	N376-E378 PolarHBondContact ND2-OE2 3.41Å; N376-E378 PolarHBondContact O-N 2.92Å; N376-E378 PolarHBondContact OD1-N 3.32Å; N376-E378 VanDerWaalsContact OD1-N 3.16Å
379	Y	89.8	Confident	91.6	Very high	118 Å²	118	30 Å²	30	46%	0.463	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-101.7	9.3	-177.6	-60.6	-47.9	0	0	0	113.7	I375 N376 G377 S381 T618 T619	I375-Y379 VanDerWaalsContact CD1-O 3.25Å; I375-Y379 WeakPolarHBondContact CD1-O 3.13Å; N376-Y379 HydrophobicContact CB-CD2 3.9Å; N376-Y379 HydrophobicContact CB-CE2 4.45Å; N376-Y379 PolarHBondContact O-N 2.91Å; G377-Y379 PolarHBondContact O-N 3.35Å; G377-Y379 VanDerWaalsContact O-N 3.12Å; Y379-S381 PolarHBondContact O-N 3.24Å; Y379-T618 HydrophobicContact CD2-CG2 4.31Å; Y379-T618 WeakPolarHBondContact CD2-O 3.48Å; Y379-T618 HydrophobicContact CE2-CG2 4.23Å; Y379-T619 HydrophobicContact CD2-CG2 3.87Å; Y379-T619 HydrophobicContact CE2-CG2 3.96Å; Y379-T619 HydrophobicContact CG-CG2 4.28Å
380	M	89.2	Confident	91.5	Very high	13 Å²	13	30 Å²	30	6%	0.064	14%	0.138	C	C	.	.			trans	-59.3	133.8	173.5	-75.2	-161.9	-60.6	0	0	111.7	I375 G377 W501 V504 L510	I375-M380 HydrophobicContact CG2-CG 4.36Å; G377-M380 WeakPolarHBondContact O-CB 3.41Å; G377-M380 WeakPolarHBondContact O-CG 3.49Å; G377-M380 PolarHBondContact O-N 3.21Å; M380-W501 HydrophobicContact CB-CH2 3.59Å; M380-W501 HydrophobicContact CB-CZ3 3.76Å; M380-W501 HydrophobicContact CE-CE3 3.79Å; M380-W501 HydrophobicContact CE-CH2 4.31Å; M380-W501 HydrophobicContact CE-CZ3 3.59Å; M380-W501 HydrophobicContact SD-CZ3 3.98Å; M380-V504 HydrophobicContact CE-CB 3.94Å; M380-V504 HydrophobicContact CE-CG1 3.44Å; M380-V504 VanDerWaalsContact CE-CG1 3.44Å; M380-V504 HydrophobicContact SD-CG1 4.48Å; M380-L510 HydrophobicContact CE-CD1 4.05Å; M380-L510 HydrophobicContact CG-CD1 4.14Å; M380-L510 HydrophobicContact SD-CD1 3.38Å; M380-L510 WeakPolarHBondContact SD-CD1 3.31Å
381	S	91.2	Very high	91.4	Very high	11 Å²	11	30.3 Å²	30.3	8%	0.077	14%	0.14	C	C	.	.			trans	-98.5	125.8	172.2	177.6	0	0	0	0	111.8	Y379 R383 G384 L385 Q696	Y379-S381 PolarHBondContact O-N 3.24Å; S381-R383 PolarHBondContact OG-N 2.74Å; S381-G384 PolarHBondContact OG-N 3.05Å; S381-L385 PolarHBondContact OG-N 3.39Å; S381-L385 VanDerWaalsContact OG-N 3.11Å; S381-Q696 WeakPolarHBondContact O-CG 3.37Å; S381-Q696 PolarHBondContact O-NE2 2.92Å
382	D	89.5	Confident	91.5	Very high	77 Å²	77	30.3 Å²	30.3	41%	0.412	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-60.9	159.1	56.7	-20.7	0	0	0	112.6	G384 W501 F699	D382-G384 PolarHBondContact O-N 2.97Å; D382-W501 HydrophobicContact CB-CZ2 4.16Å; D382-F699 WeakPolarHBondContact O-CD1 3.44Å
383	R	89.3	Confident	91.5	Very high	151 Å²	151	30 Å²	30	57%	0.57	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	12.6	179.6	-67.5	179.5	-74	162	-5	113.7	S381 L385	S381-R383 PolarHBondContact OG-N 2.74Å; R383-L385 HydrophobicContact CB-CD1 4.18Å; R383-L385 HydrophobicContact CB-CG 4.08Å; R383-L385 PolarHBondContact O-N 3.01Å; R383-L385 VanDerWaalsContact O-N 3.13Å
384	G	91.1	Very high	91.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	64.3	18.9	174.8	0	0	0	0	0	115.9	S381 D382 A386 K632 H633	S381-G384 PolarHBondContact OG-N 3.05Å; D382-G384 PolarHBondContact O-N 2.97Å; G384-A386 VanDerWaalsContact C-N 3.3Å; G384-A386 PolarHBondContact O-N 2.84Å; G384-K632 WeakPolarHBondContact O-CB 3.32Å; G384-K632 PolarHBondContact O-N 3.27Å; G384-H633 PolarHBondContact O-N 3.29Å
385	L	94.1	Very high	91.8	Very high	34 Å²	34	28.9 Å²	28.9	18%	0.178	13%	0.132	C	C	.	.			trans	-76.5	-13.5	-175	-63.3	174.8	0	0	0	113.8	S381 R383 P627 C631 H633	S381-L385 PolarHBondContact OG-N 3.39Å; S381-L385 VanDerWaalsContact OG-N 3.11Å; R383-L385 HydrophobicContact CB-CD1 4.18Å; R383-L385 HydrophobicContact CB-CG 4.08Å; R383-L385 PolarHBondContact O-N 3.01Å; R383-L385 VanDerWaalsContact O-N 3.13Å; L385-P627 HydrophobicContact CB-CB 4.21Å; L385-P627 HydrophobicContact CD2-CB 4.11Å; L385-P627 HydrophobicContact CD2-CG 4.38Å; L385-P627 WeakPolarHBondContact O-CB 3.32Å; L385-C631 WeakPolarHBondContact O-CB 3.46Å; L385-H633 HydrophobicContact CD2-CB 3.89Å
386	A	94.4	Very high	92	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	13%	0.131	C	C	.	.	S	Bend	trans	-110.9	153.4	-177.1	0	0	0	0	0	113.2	I375 G384 G620 K621	I375-A386 HydrophobicContact CD1-CB 3.67Å; G384-A386 VanDerWaalsContact C-N 3.3Å; G384-A386 PolarHBondContact O-N 2.84Å; A386-G620 WeakPolarHBondContact CA-O 3.4Å; A386-K621 HydrophobicContact CB-CG 4.44Å
387	L	94.9	Very high	92.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.131	C	C	.	.			trans	-93.3	106.4	175.7	-73.7	171.7	0	0	0	112	D389 I395 I615 G620 S628 L630	L387-D389 PolarHBondContact O-N 3.49Å; L387-I395 HydrophobicContact CD1-CD1 4.04Å; L387-I615 HydrophobicContact CD1-CG1 4.21Å; L387-I615 HydrophobicContact CD1-CG2 4Å; L387-G620 PolarHBondContact N-O 3.46Å; L387-G620 WeakPolarHBondContact O-CA 3.28Å; L387-S628 WeakPolarHBondContact CD1-OG 3.29Å; L387-L630 HydrophobicContact CD1-CB 4.28Å; L387-L630 HydrophobicContact CD2-CB 4.09Å; L387-L630 WeakPolarHBondContact CD2-O 3.37Å
388	N	92.7	Very high	92.6	Very high	22 Å²	22	31.2 Å²	31.2	12%	0.118	14%	0.138	C	C	.	.	S	Bend	trans	-61.1	-24.1	179.6	-61.2	11	0	0	0	115.3	C374 I375 Q696	C374-N388 WeakPolarHBondContact CB-O 3.06Å; I375-N388 HydrophobicContact CG2-CB 4.36Å; I375-N388 PolarHBondContact N-O 3.47Å; N388-Q696 PolarHBondContact ND2-NE2 3.12Å; N388-Q696 PolarHBondContact ND2-OE1 3.29Å; N388-Q696 PolarHBondContact OD1-NE2 2.67Å
389	D	93.3	Very high	93	Very high	8 Å²	8	25.8 Å²	25.8	4%	0.043	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	115	-170.8	-171	-19.3	0	0	0	110.2	C374 L387 H391 I394 K482 T512 K518	C374-D389 PolarHBondContact SG-OD1 2.97Å; C374-D389 VanDerWaalsContact SG-OD1 3.38Å; L387-D389 PolarHBondContact O-N 3.49Å; D389-H391 IonicContact OD1-CD2 2.78Å; D389-H391 PolarHBondContact OD1-CD2 3.33Å; D389-H391 IonicContact OD1-CG 3.27Å; D389-H391 PolarHBondContact OD1-N 2.98Å; D389-H391 VanDerWaalsContact OD1-N 3.1Å; D389-I394 HydrophobicContact CB-CG2 4.3Å; D389-K482 IonicContact OD1-NZ 3.77Å; D389-K482 PolarHBondContact OD1-NZ 3.11Å; D389-K482 IonicContact OD2-NZ 2.89Å; D389-K482 PolarHBondContact OD2-NZ 2.8Å; D389-T512 HydrophobicContact CB-CG2 4.42Å; D389-K518 IonicContact OD2-NZ 2.73Å; D389-K518 PolarHBondContact OD2-NZ 3.12Å
390	C	94.3	Very high	93.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	38.4	-175.5	-60.5	0	0	0	0	110.9	G371 T372 K373 I395 A617	G371-C390 CarbonylContact C-O 3.32Å; G371-C390 VanDerWaalsContact CA-O 3.24Å; G371-C390 WeakPolarHBondContact CA-O 3.33Å; T372-C390 PolarHBondContact N-O 2.9Å; K373-C390 CarbonylContact O-C 3.51Å; K373-C390 VanDerWaalsContact O-C 3.24Å; K373-C390 WeakPolarHBondContact O-CA 3.44Å; K373-C390 PolarHBondContact O-N 2.91Å; C390-I395 HydrophobicContact CB-CD1 4.48Å; C390-I395 HydrophobicContact CB-CG1 4.47Å; C390-A617 HydrophobicContact CB-CB 3.68Å
391	H	93.6	Very high	93.4	Very high	8 Å²	8	20 Å²	20	4%	0.037	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	138.9	160.3	-75.6	-128.3	0	0	0	110.1	G371 T372 K373 D389 E393 I394 I395 C450 K482 C515	G371-H391 WeakPolarHBondContact O-CA 3.06Å; T372-H391 VanDerWaalsContact C-CD2 3.47Å; T372-H391 VanDerWaalsContact C-NE2 3.34Å; T372-H391 PolarHBondContact O-CE1 2.88Å; T372-H391 PolarHBondContact O-NE2 2.7Å; K373-H391 PolarHBondContact N-CD2 3.37Å; K373-H391 PolarHBondContact O-CD2 3.5Å; K373-H391 PolarHBondContact O-N 3.21Å; D389-H391 IonicContact OD1-CD2 2.78Å; D389-H391 PolarHBondContact OD1-CD2 3.33Å; D389-H391 IonicContact OD1-CG 3.27Å; D389-H391 PolarHBondContact OD1-N 2.98Å; D389-H391 VanDerWaalsContact OD1-N 3.1Å; H391-E393 VanDerWaalsContact C-N 3.33Å; H391-E393 HydrophobicContact CB-CG 4.42Å; H391-E393 IonicContact ND1-OE1 2.77Å; H391-E393 PolarHBondContact O-N 3.12Å; H391-I394 HydrophobicContact CB-CG1 4.14Å; H391-I394 WeakPolarHBondContact O-CB 3.4Å; H391-I394 PolarHBondContact O-N 3.37Å; H391-I395 WeakPolarHBondContact O-CG1 3.47Å; H391-I395 PolarHBondContact O-N 3.23Å; H391-C450 PolarHBondContact CE1-SG 3.33Å; H391-K482 PolarHBondContact CD2-NZ 2.93Å; H391-K482 PolarHBondContact CE1-NZ 3.32Å; H391-K482 PolarHBondContact ND1-NZ 3.04Å; H391-K482 PolarHBondContact NE2-NZ 2.86Å; H391-K482 VanDerWaalsContact NE2-NZ 3.12Å; H391-C515 VanDerWaalsContact CB-SG 3.55Å; H391-C515 VanDerWaalsContact CG-SG 3.59Å; H391-C515 PolarHBondContact ND1-SG 3.44Å; H391-C515 VanDerWaalsContact ND1-SG 3.4Å
392	A	94.1	Very high	93.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-48.4	-52.8	-175.4	0	0	0	0	0	112.1	V348 A350 S369 G371 I394 I395 A396	V348-A392 HydrophobicContact CB-CB 4.48Å; V348-A392 HydrophobicContact CG1-CB 4.02Å; A350-A392 HydrophobicContact CB-CB 3.52Å; S369-A392 PolarHBondContact OG-O 2.73Å; G371-A392 PolarHBondContact O-N 2.78Å; A392-I394 PolarHBondContact O-N 2.89Å; A392-I394 VanDerWaalsContact O-N 3.11Å; A392-I395 PolarHBondContact O-N 3.12Å; A392-I395 VanDerWaalsContact O-N 3.07Å; A392-A396 WeakPolarHBondContact O-CB 3.14Å; A392-A396 PolarHBondContact O-N 3.35Å
393	E	92.9	Very high	93.8	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.014	7%	0.072	C	C	.	.	H	α-helix	trans	-58.1	-27	-179.9	57.3	-93.9	-141.4	0	0	114.7	A350 H391 I445 C515 I519	A350-E393 HydrophobicContact CB-CB 4.42Å; H391-E393 VanDerWaalsContact C-N 3.33Å; H391-E393 HydrophobicContact CB-CG 4.42Å; H391-E393 IonicContact ND1-OE1 2.77Å; H391-E393 PolarHBondContact O-N 3.12Å; E393-I445 HydrophobicContact CB-CD1 3.79Å; E393-I445 HydrophobicContact CB-CG1 4.1Å; E393-I445 HydrophobicContact CB-CG2 4.3Å; E393-C515 VanDerWaalsContact CD-SG 3.57Å; E393-C515 HydrophobicContact CG-CB 3.98Å; E393-C515 WeakPolarHBondContact OE1-CB 3.16Å; E393-C515 PolarHBondContact OE1-SG 3.48Å; E393-I519 HydrophobicContact CB-CD1 4Å; E393-I519 HydrophobicContact CG-CD1 3.96Å
394	I	93.3	Very high	93.9	Very high	13 Å²	13	9.9 Å²	9.9	7%	0.067	4%	0.044	C	C	.	.	H	α-helix	trans	-84.5	-38.8	177.5	-52.9	-52.1	0	0	0	110.6	D389 H391 A392 R398 K518 W526	D389-I394 HydrophobicContact CB-CG2 4.3Å; H391-I394 HydrophobicContact CB-CG1 4.14Å; H391-I394 WeakPolarHBondContact O-CB 3.4Å; H391-I394 PolarHBondContact O-N 3.37Å; A392-I394 PolarHBondContact O-N 2.89Å; A392-I394 VanDerWaalsContact O-N 3.11Å; I394-R398 WeakPolarHBondContact O-CG 3.44Å; I394-R398 PolarHBondContact O-N 2.82Å; I394-K518 HydrophobicContact CD1-CB 3.63Å; I394-K518 HydrophobicContact CD1-CD 3.73Å; I394-K518 HydrophobicContact CD1-CG 4.29Å; I394-K518 HydrophobicContact CG1-CD 4.21Å; I394-W526 HydrophobicContact CD1-CH2 4.41Å
395	I	95.8	Very high	94	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-68.7	-43.7	177.5	-67.1	-62.3	0	0	0	111	L387 C390 H391 A392 R397 R398 S399 N604 L630	L387-I395 HydrophobicContact CD1-CD1 4.04Å; C390-I395 HydrophobicContact CB-CD1 4.48Å; C390-I395 HydrophobicContact CB-CG1 4.47Å; H391-I395 WeakPolarHBondContact O-CG1 3.47Å; H391-I395 PolarHBondContact O-N 3.23Å; A392-I395 PolarHBondContact O-N 3.12Å; A392-I395 VanDerWaalsContact O-N 3.07Å; I395-R397 VanDerWaalsContact C-N 3.26Å; I395-R397 PolarHBondContact O-N 3.46Å; I395-R398 WeakPolarHBondContact O-CA 3.33Å; I395-R398 PolarHBondContact O-N 2.64Å; I395-S399 PolarHBondContact O-N 2.77Å; I395-N604 HydrophobicContact CG2-CB 3.51Å; I395-L630 HydrophobicContact CD1-CD1 4.39Å; I395-L630 HydrophobicContact CG2-CD1 3.73Å
396	A	95.2	Very high	93.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-48.5	-46.6	173.1	0	0	0	0	0	112.1	A350 V352 C367 S369 A392 S399 L400	A350-A396 HydrophobicContact CB-CB 4.38Å; V352-A396 HydrophobicContact CG2-CB 4.4Å; C367-A396 PolarHBondContact SG-O 3.01Å; S369-A396 WeakPolarHBondContact OG-CB 3.16Å; S369-A396 PolarHBondContact OG-N 2.79Å; A392-A396 WeakPolarHBondContact O-CB 3.14Å; A392-A396 PolarHBondContact O-N 3.35Å; A396-S399 WeakPolarHBondContact O-CB 3.36Å; A396-S399 PolarHBondContact O-N 2.96Å; A396-L400 WeakPolarHBondContact O-CB 3.47Å; A396-L400 PolarHBondContact O-N 3.18Å
397	R	93.6	Very high	93.6	Very high	42 Å²	42	12.5 Å²	12.5	16%	0.158	6%	0.06	C	C	.	.	H	α-helix	trans	-70	-35.1	176.5	-168.1	-162.1	66.4	113	10	113.3	I395 S399 L400 I401 W526 F531	I395-R397 VanDerWaalsContact C-N 3.26Å; I395-R397 PolarHBondContact O-N 3.46Å; R397-S399 VanDerWaalsContact C-N 3.29Å; R397-S399 PolarHBondContact O-N 2.91Å; R397-L400 PolarHBondContact O-N 2.82Å; R397-I401 HydrophobicContact CG-CD1 4.36Å; R397-I401 WeakPolarHBondContact O-CG1 3.39Å; R397-I401 PolarHBondContact O-N 3.32Å; R397-W526 HydrophobicContact CB-CH2 4.4Å; R397-W526 VanDerWaalsContact CD-NE1 3.33Å; R397-W526 HydrophobicContact CG-CZ2 4.46Å; R397-F531 WeakPolarHBondContact CD-O 3.11Å; R397-F531 HydrophobicContact CG-CB 4.29Å; R397-F531 PolarHBondContact NH1-O 3.33Å
398	R	94.9	Very high	93.3	Very high	39 Å²	39	12.6 Å²	12.6	15%	0.147	6%	0.061	C	C	.	.	H	α-helix	trans	-63.7	-39.1	175	-64.2	-174.5	79.8	114.9	5.5	110.5	I394 I395 I401 R402 L630 C631	I394-R398 WeakPolarHBondContact O-CG 3.44Å; I394-R398 PolarHBondContact O-N 2.82Å; I395-R398 WeakPolarHBondContact O-CA 3.33Å; I395-R398 PolarHBondContact O-N 2.64Å; R398-I401 PolarHBondContact O-N 2.94Å; R398-R402 PolarHBondContact O-N 3.3Å; R398-R402 VanDerWaalsContact O-N 3.15Å; R398-L630 HydrophobicContact CB-CB 4.14Å; R398-L630 HydrophobicContact CB-CD1 4.15Å; R398-L630 HydrophobicContact CB-CD2 4.02Å; R398-L630 HydrophobicContact CB-CG 4.35Å; R398-L630 PolarHBondContact NE-O 2.95Å; R398-L630 PolarHBondContact NH2-O 3.37Å; R398-C631 PolarHBondContact NH2-O 3.38Å
399	S	95.5	Very high	93	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.6	-45.9	168.6	-68.4	0	0	0	0	112.5	C367 I395 A396 R397 I401 R402 F403 T606	C367-S399 VanDerWaalsContact CB-CB 3.43Å; I395-S399 PolarHBondContact O-N 2.77Å; A396-S399 WeakPolarHBondContact O-CB 3.36Å; A396-S399 PolarHBondContact O-N 2.96Å; R397-S399 VanDerWaalsContact C-N 3.29Å; R397-S399 PolarHBondContact O-N 2.91Å; S399-I401 PolarHBondContact O-N 2.94Å; S399-R402 CarbonylContact O-C 3.6Å; S399-R402 WeakPolarHBondContact O-CA 3.4Å; S399-R402 WeakPolarHBondContact O-CB 3.07Å; S399-R402 PolarHBondContact O-N 2.81Å; S399-F403 PolarHBondContact O-N 3Å; S399-T606 WeakPolarHBondContact CB-OG1 3.37Å; S399-T606 WeakPolarHBondContact O-CG2 2.85Å; S399-T606 PolarHBondContact OG-OG1 2.75Å
400	L	94.7	Very high	92.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.2	-39.4	177.8	-176.7	62.2	0	0	0	112.9	V352 V366 A396 R397 R402 F403 L404 F441 F531 F545	V352-L400 HydrophobicContact CG1-CD1 4.06Å; V352-L400 HydrophobicContact CG1-CD2 4.01Å; V352-L400 HydrophobicContact CG2-CD2 4.17Å; V366-L400 HydrophobicContact CB-CD1 4.48Å; V366-L400 HydrophobicContact CG1-CD1 3.72Å; A396-L400 WeakPolarHBondContact O-CB 3.47Å; A396-L400 PolarHBondContact O-N 3.18Å; R397-L400 PolarHBondContact O-N 2.82Å; L400-R402 VanDerWaalsContact C-N 3.3Å; L400-R402 PolarHBondContact O-N 3.21Å; L400-F403 HydrophobicContact CD1-CD1 4.2Å; L400-F403 WeakPolarHBondContact O-CB 3.41Å; L400-F403 PolarHBondContact O-N 3.33Å; L400-L404 WeakPolarHBondContact O-CG 3.29Å; L400-L404 PolarHBondContact O-N 3.31Å; L400-F441 HydrophobicContact CD1-CD1 3.94Å; L400-F441 HydrophobicContact CD1-CE1 3.92Å; L400-F531 HydrophobicContact CD1-CE2 4.46Å; L400-F531 HydrophobicContact CD2-CD1 4.44Å; L400-F531 HydrophobicContact CD2-CD2 3.61Å; L400-F531 HydrophobicContact CD2-CE1 4.11Å; L400-F531 HydrophobicContact CD2-CE2 3.22Å; L400-F531 HydrophobicContact CD2-CG 4.23Å; L400-F531 HydrophobicContact CD2-CZ 3.51Å; L400-F531 HydrophobicContact CG-CD2 4.21Å; L400-F531 HydrophobicContact CG-CE2 3.59Å; L400-F531 HydrophobicContact CG-CZ 4.12Å; L400-F545 HydrophobicContact CD2-CE1 3.71Å; L400-F545 HydrophobicContact CD2-CZ 3.67Å
401	I	93.4	Very high	92	Very high	11 Å²	11	18 Å²	18	6%	0.056	9%	0.085	C	C	.	.	H	α-helix	trans	-63.5	-38.5	172.9	-69.1	165.8	0	0	0	110.8	R397 R398 S399 F403 L404 Y405 M536 L635	R397-I401 HydrophobicContact CG-CD1 4.36Å; R397-I401 WeakPolarHBondContact O-CG1 3.39Å; R397-I401 PolarHBondContact O-N 3.32Å; R398-I401 PolarHBondContact O-N 2.94Å; S399-I401 PolarHBondContact O-N 2.94Å; I401-F403 VanDerWaalsContact C-N 3.33Å; I401-L404 PolarHBondContact O-N 3.44Å; I401-Y405 HydrophobicContact CG2-CD2 4.18Å; I401-Y405 HydrophobicContact CG2-CE2 3.8Å; I401-Y405 PolarHBondContact O-N 3.43Å; I401-M536 HydrophobicContact CG2-CE 4.12Å; I401-L635 HydrophobicContact CG2-CD2 4.45Å
402	R	94.2	Very high	91.3	Very high	21 Å²	21	20.7 Å²	20.7	8%	0.079	10%	0.099	C	C	.	.	H	α-helix	trans	-65.3	-36.8	175.1	-152.7	170.9	86.6	-88.2	-1.4	111.5	R398 S399 L400 S406 T606 D609 R629 L635 R638	R398-R402 PolarHBondContact O-N 3.3Å; R398-R402 VanDerWaalsContact O-N 3.15Å; S399-R402 CarbonylContact O-C 3.6Å; S399-R402 WeakPolarHBondContact O-CA 3.4Å; S399-R402 WeakPolarHBondContact O-CB 3.07Å; S399-R402 PolarHBondContact O-N 2.81Å; L400-R402 VanDerWaalsContact C-N 3.3Å; L400-R402 PolarHBondContact O-N 3.21Å; R402-S406 PolarHBondContact O-N 2.81Å; R402-S406 VanDerWaalsContact O-N 3.15Å; R402-S406 PolarHBondContact O-OG 2.91Å; R402-S406 VanDerWaalsContact O-OG 3.04Å; R402-T606 PolarHBondContact NH1-OG1 3.26Å; R402-T606 PolarHBondContact NH2-OG1 2.83Å; R402-D609 IonicContact CZ-OD1 2.64Å; R402-D609 IonicContact CZ-OD2 3.01Å; R402-D609 IonicContact NH2-OD1 2.75Å; R402-D609 PolarHBondContact NH2-OD1 3.2Å; R402-D609 IonicContact NH2-OD2 2.7Å; R402-D609 PolarHBondContact NH2-OD2 2.86Å; R402-R629 WeakPolarHBondContact CD-O 3.41Å; R402-L635 HydrophobicContact CB-CD2 4.15Å; R402-L635 HydrophobicContact CG-CD2 4.24Å; R402-R638 VanDerWaalsContact CG-NH1 3.26Å; R402-R638 PolarHBondContact O-NH1 3.05Å
403	F	94.1	Very high	90.6	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.022	14%	0.135	C	C	.	.	H	α-helix	trans	-63.4	-46.6	170.7	171.9	-103.8	0	0	0	112.5	M354 V366 S399 L400 I401 Y405 S406 Q407 I423 F441 T606 I607	M354-F403 HydrophobicContact SD-CE1 4.24Å; M354-F403 HydrophobicContact SD-CZ 4.16Å; V366-F403 HydrophobicContact CG1-CB 3.68Å; V366-F403 HydrophobicContact CG1-CD1 3.45Å; V366-F403 VanDerWaalsContact CG1-CD1 3.45Å; V366-F403 HydrophobicContact CG1-CD2 3.8Å; V366-F403 HydrophobicContact CG1-CE1 3.91Å; V366-F403 HydrophobicContact CG1-CE2 4.22Å; V366-F403 HydrophobicContact CG1-CG 3.37Å; V366-F403 HydrophobicContact CG1-CZ 4.27Å; V366-F403 HydrophobicContact CG2-CE1 4.17Å; V366-F403 HydrophobicContact CG2-CZ 4.25Å; S399-F403 PolarHBondContact O-N 3Å; L400-F403 HydrophobicContact CD1-CD1 4.2Å; L400-F403 WeakPolarHBondContact O-CB 3.41Å; L400-F403 PolarHBondContact O-N 3.33Å; I401-F403 VanDerWaalsContact C-N 3.33Å; F403-Y405 VanDerWaalsContact C-N 3.33Å; F403-Y405 PolarHBondContact O-N 3.46Å; F403-S406 WeakPolarHBondContact O-CA 3.35Å; F403-S406 WeakPolarHBondContact O-CB 3.34Å; F403-S406 PolarHBondContact O-N 3.3Å; F403-Q407 HydrophobicContact CD1-CG 4.23Å; F403-Q407 HydrophobicContact CD2-CG 4.25Å; F403-Q407 HydrophobicContact CE1-CG 3.88Å; F403-Q407 HydrophobicContact CE2-CG 3.91Å; F403-Q407 VanDerWaalsContact CE2-NE2 3.28Å; F403-Q407 HydrophobicContact CG-CG 4.42Å; F403-Q407 HydrophobicContact CZ-CG 3.72Å; F403-Q407 WeakPolarHBondContact O-CG 3.4Å; F403-Q407 PolarHBondContact O-N 3.13Å; F403-I423 HydrophobicContact CE1-CD1 3.91Å; F403-F441 HydrophobicContact CE1-CE1 4.08Å; F403-F441 HydrophobicContact CE1-CZ 4.27Å; F403-T606 HydrophobicContact CB-CG2 3.85Å; F403-I607 HydrophobicContact CD2-CG2 3.38Å; F403-I607 HydrophobicContact CE2-CG2 3.43Å; F403-I607 VanDerWaalsContact CE2-CG2 3.43Å; F403-I607 HydrophobicContact CG-CG2 4.47Å
404	L	92.6	Very high	89.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.2	-42.4	177.2	-67.8	-173.6	0	0	0	112.2	L400 I401 S406 Q407 L408 I423 F424 F441 F531 Q532 M536 I543	L400-L404 WeakPolarHBondContact O-CG 3.29Å; L400-L404 PolarHBondContact O-N 3.31Å; I401-L404 PolarHBondContact O-N 3.44Å; L404-S406 VanDerWaalsContact C-N 3.34Å; L404-S406 PolarHBondContact O-N 3.4Å; L404-Q407 PolarHBondContact O-N 3.22Å; L404-L408 PolarHBondContact O-N 3.1Å; L404-I423 HydrophobicContact CD2-CD1 3.88Å; L404-F424 HydrophobicContact CB-CZ 4.34Å; L404-F424 HydrophobicContact CD2-CE2 4.49Å; L404-F424 HydrophobicContact CD2-CZ 3.89Å; L404-F441 HydrophobicContact CD2-CE2 4.44Å; L404-F441 HydrophobicContact CD2-CZ 4.2Å; L404-F531 HydrophobicContact CD1-CE2 3.72Å; L404-F531 HydrophobicContact CD1-CZ 4.47Å; L404-F531 HydrophobicContact CG-CE2 4.38Å; L404-Q532 HydrophobicContact CD1-CB 4.11Å; L404-M536 HydrophobicContact CB-CE 3.46Å; L404-M536 VanDerWaalsContact CB-CE 3.46Å; L404-M536 HydrophobicContact CB-SD 4.41Å; L404-M536 HydrophobicContact CD1-CE 4.19Å; L404-M536 HydrophobicContact CG-CE 4.49Å; L404-I543 HydrophobicContact CD1-CD1 3.83Å; L404-I543 HydrophobicContact CD2-CD1 4.29Å
405	Y	92.1	Very high	88.2	Confident	5 Å²	5	39 Å²	39	2%	0.02	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-41.4	173.6	-71.5	-43.3	0	0	0	111.5	I401 F403 Q407 L408 E409 M536 F539 L635 R638 W639 L642	I401-Y405 HydrophobicContact CG2-CD2 4.18Å; I401-Y405 HydrophobicContact CG2-CE2 3.8Å; I401-Y405 PolarHBondContact O-N 3.43Å; F403-Y405 VanDerWaalsContact C-N 3.33Å; F403-Y405 PolarHBondContact O-N 3.46Å; Y405-Q407 VanDerWaalsContact C-N 3.28Å; Y405-Q407 PolarHBondContact O-N 3.23Å; Y405-L408 PolarHBondContact O-N 2.89Å; Y405-E409 WeakPolarHBondContact O-CG 2.93Å; Y405-E409 PolarHBondContact O-N 2.92Å; Y405-M536 HydrophobicContact CD1-CE 3.18Å; Y405-M536 HydrophobicContact CD1-SD 3.58Å; Y405-M536 VanDerWaalsContact CD1-SD 3.58Å; Y405-M536 HydrophobicContact CD2-CE 4.19Å; Y405-M536 HydrophobicContact CE1-CE 3.26Å; Y405-M536 HydrophobicContact CE1-SD 3.51Å; Y405-M536 VanDerWaalsContact CE1-SD 3.51Å; Y405-M536 HydrophobicContact CE2-CE 4.28Å; Y405-M536 HydrophobicContact CG-CE 3.68Å; Y405-F539 HydrophobicContact CE1-CD2 4.4Å; Y405-F539 HydrophobicContact CE1-CE2 4.08Å; Y405-L635 HydrophobicContact CD2-CD2 4.49Å; Y405-L635 HydrophobicContact CE2-CD2 4.35Å; Y405-L635 WeakPolarHBondContact CE2-O 3.38Å; Y405-L635 PolarHBondContact OH-O 2.97Å; Y405-R638 HydrophobicContact CD2-CB 4.27Å; Y405-W639 HydrophobicContact CE1-CB 4.41Å; Y405-L642 HydrophobicContact CD1-CD1 3.48Å; Y405-L642 VanDerWaalsContact CD1-CD1 3.48Å; Y405-L642 HydrophobicContact CE1-CD1 4.35Å; Y405-L642 HydrophobicContact CG-CD1 4.07Å
406	S	90.9	Very high	86.6	Confident	48 Å²	48	47 Å²	47	34%	0.336	21%	0.212	S	C	.	.	H	α-helix	trans	-63	-33.6	175.8	-55.5	0	0	0	0	113	R402 F403 L404 H410 R638	R402-S406 PolarHBondContact O-N 2.81Å; R402-S406 VanDerWaalsContact O-N 3.15Å; R402-S406 PolarHBondContact O-OG 2.91Å; R402-S406 VanDerWaalsContact O-OG 3.04Å; F403-S406 WeakPolarHBondContact O-CA 3.35Å; F403-S406 WeakPolarHBondContact O-CB 3.34Å; F403-S406 PolarHBondContact O-N 3.3Å; L404-S406 VanDerWaalsContact C-N 3.34Å; L404-S406 PolarHBondContact O-N 3.4Å; S406-H410 VanDerWaalsContact O-CB 3.27Å; S406-H410 WeakPolarHBondContact O-CB 2.9Å; S406-H410 PolarHBondContact O-N 3.04Å; S406-R638 PolarHBondContact OG-NH1 3.07Å; S406-R638 PolarHBondContact OG-NH2 2.84Å
407	Q	89.7	Confident	84.8	Confident	36 Å²	36	54.3 Å²	54.3	17%	0.168	25%	0.247	C	C	.	.	H	α-helix	trans	-73.1	-35.4	177.2	-70.8	-69	-22.9	0	0	112.2	F403 L404 Y405 H410 F411 I423 F424	F403-Q407 HydrophobicContact CD1-CG 4.23Å; F403-Q407 HydrophobicContact CD2-CG 4.25Å; F403-Q407 HydrophobicContact CE1-CG 3.88Å; F403-Q407 HydrophobicContact CE2-CG 3.91Å; F403-Q407 VanDerWaalsContact CE2-NE2 3.28Å; F403-Q407 HydrophobicContact CG-CG 4.42Å; F403-Q407 HydrophobicContact CZ-CG 3.72Å; F403-Q407 WeakPolarHBondContact O-CG 3.4Å; F403-Q407 PolarHBondContact O-N 3.13Å; L404-Q407 PolarHBondContact O-N 3.22Å; Y405-Q407 VanDerWaalsContact C-N 3.28Å; Y405-Q407 PolarHBondContact O-N 3.23Å; Q407-H410 PolarHBondContact O-N 2.89Å; Q407-F411 WeakPolarHBondContact O-CB 3.36Å; Q407-F411 PolarHBondContact O-N 2.71Å; Q407-I423 HydrophobicContact CB-CD1 3.82Å; Q407-I423 HydrophobicContact CB-CG1 3.82Å; Q407-I423 HydrophobicContact CG-CD1 3.69Å; Q407-I423 HydrophobicContact CG-CG1 3.87Å; Q407-F424 HydrophobicContact CB-CD2 3.99Å; Q407-F424 HydrophobicContact CB-CE2 3.77Å
408	L	87.9	Confident	83.3	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-42.6	169.4	-67.4	174.6	0	0	0	112	L404 Y405 H410 F411 L412 F424 F433 M536 F539 T540 L642	L404-L408 PolarHBondContact O-N 3.1Å; Y405-L408 PolarHBondContact O-N 2.89Å; L408-H410 VanDerWaalsContact C-N 3.28Å; L408-H410 PolarHBondContact O-N 2.79Å; L408-F411 PolarHBondContact O-N 3.01Å; L408-L412 WeakPolarHBondContact O-CB 3.24Å; L408-L412 WeakPolarHBondContact O-CG 3.19Å; L408-L412 PolarHBondContact O-N 1.9Å; L408-F424 HydrophobicContact CD2-CD2 3.59Å; L408-F424 HydrophobicContact CD2-CE2 3.66Å; L408-F424 HydrophobicContact CD2-CG 4.06Å; L408-F424 HydrophobicContact CD2-CZ 4.19Å; L408-F424 HydrophobicContact CG-CD2 4.04Å; L408-F424 HydrophobicContact CG-CE2 3.66Å; L408-F424 HydrophobicContact CG-CZ 4.23Å; L408-F433 HydrophobicContact CD2-CD2 3.64Å; L408-F433 HydrophobicContact CD2-CE2 4.04Å; L408-F433 HydrophobicContact CD2-CG 4.04Å; L408-M536 HydrophobicContact CD1-SD 3.65Å; L408-F539 HydrophobicContact CD1-CB 3.72Å; L408-F539 HydrophobicContact CD1-CD2 3.9Å; L408-F539 HydrophobicContact CD1-CG 3.94Å; L408-T540 HydrophobicContact CD1-CG2 4.42Å; L408-L642 HydrophobicContact CB-CD1 4.15Å; L408-L642 HydrophobicContact CB-CD2 4.03Å; L408-L642 HydrophobicContact CD1-CD1 4.38Å
409	E	87.6	Confident	81.9	Confident	42 Å²	42	55.5 Å²	55.5	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-32.9	174.2	-73.3	169.9	-158.4	0	0	112.8	Y405 R413 R638 L642	Y405-E409 WeakPolarHBondContact O-CG 2.93Å; Y405-E409 PolarHBondContact O-N 2.92Å; E409-R413 WeakPolarHBondContact O-CD 2.94Å; E409-R413 VanDerWaalsContact O-CG 3.24Å; E409-R413 WeakPolarHBondContact O-CG 3.37Å; E409-R413 PolarHBondContact O-N 2.82Å; E409-R638 IonicContact OE1-CZ 2.85Å; E409-R638 IonicContact OE1-NE 3.45Å; E409-R638 PolarHBondContact OE1-NE 3.07Å; E409-R638 IonicContact OE1-NH2 2.75Å; E409-R638 PolarHBondContact OE1-NH2 3.33Å; E409-R638 IonicContact OE2-CZ 2.74Å; E409-R638 IonicContact OE2-NE 2.7Å; E409-R638 IonicContact OE2-NH2 3.94Å; E409-R638 PolarHBondContact OE2-NH2 2.9Å; E409-L642 HydrophobicContact CG-CD1 4.28Å; E409-L642 HydrophobicContact CG-CD2 3.81Å; E409-L642 HydrophobicContact CG-CG 4.09Å
410	H	84.3	Confident	80.3	Confident	84 Å²	84	62.5 Å²	62.5	39%	0.389	29%	0.29	S	S	.	.	H	α-helix	trans	-73.3	-45.7	175.1	-179.3	-116	0	0	0	111.7	S406 Q407 L408 L412 R413 N414	S406-H410 VanDerWaalsContact O-CB 3.27Å; S406-H410 WeakPolarHBondContact O-CB 2.9Å; S406-H410 PolarHBondContact O-N 3.04Å; Q407-H410 PolarHBondContact O-N 2.89Å; L408-H410 VanDerWaalsContact C-N 3.28Å; L408-H410 PolarHBondContact O-N 2.79Å; H410-L412 PolarHBondContact O-N 2.8Å; H410-R413 PolarHBondContact O-N 3.26Å; H410-N414 PolarHBondContact CE1-ND2 2.83Å; H410-N414 PolarHBondContact NE2-ND2 3.33Å; H410-N414 PolarHBondContact O-N 3.45Å; H410-N414 PolarHBondContact O-OD1 2.87Å
411	F	82.1	Confident	78.9	Confident	17 Å²	17	69.2 Å²	69.2	8%	0.075	32%	0.319	C	S	.	.	H	α-helix	trans	-55.1	-40.9	174.3	-176.8	-88.3	0	0	0	112.1	Q407 L408 R413 H419 F433	Q407-F411 WeakPolarHBondContact O-CB 3.36Å; Q407-F411 PolarHBondContact O-N 2.71Å; L408-F411 PolarHBondContact O-N 3.01Å; F411-R413 VanDerWaalsContact C-N 3.33Å; F411-R413 PolarHBondContact O-N 2.7Å; F411-H419 HydrophobicContact CD2-CB 4.37Å; F411-H419 AromaticContact CE1-CE1 3.79Å; F411-H419 AromaticContact CE1-ND1 3.93Å; F411-H419 HydrophobicContact CE2-CB 3.74Å; F411-H419 AromaticContact CE2-CG 3.5Å; F411-H419 VanDerWaalsContact CE2-CG 3.5Å; F411-H419 AromaticContact CE2-ND1 3.49Å; F411-H419 WeakPolarHBondContact CE2-ND1 3.19Å; F411-H419 HydrophobicContact CZ-CB 4.38Å; F411-H419 AromaticContact CZ-CE1 3.6Å; F411-H419 AromaticContact CZ-CG 3.8Å; F411-H419 AromaticContact CZ-ND1 3.25Å; F411-H419 WeakPolarHBondContact CZ-ND1 3.34Å; F411-H419 PolarHBondContact O-NE2 2.75Å; F411-F433 AromaticContact CD1-CE1 3.94Å; F411-F433 HydrophobicContact CD1-CE1 3.94Å; F411-F433 HydrophobicContact CD1-CZ 4.39Å; F411-F433 HydrophobicContact CE1-CD1 4.3Å; F411-F433 AromaticContact CE1-CE1 3.49Å; F411-F433 HydrophobicContact CE1-CE1 3.49Å; F411-F433 VanDerWaalsContact CE1-CE1 3.49Å; F411-F433 HydrophobicContact CE1-CZ 4.21Å; F411-F433 HydrophobicContact CZ-CD1 4.48Å; F411-F433 HydrophobicContact CZ-CE1 4.02Å
412	L	79	Confident	78.2	Confident	66 Å²	66	69.3 Å²	69.3	35%	0.346	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-21.7	176.7	-78.3	170.2	0	0	0	115.5	L408 H410 L642 K645 L646	L408-L412 WeakPolarHBondContact O-CB 3.24Å; L408-L412 WeakPolarHBondContact O-CG 3.19Å; L408-L412 PolarHBondContact O-N 1.9Å; H410-L412 PolarHBondContact O-N 2.8Å; L412-L642 HydrophobicContact CD1-CD2 3.54Å; L412-K645 HydrophobicContact CD1-CB 4.16Å; L412-L646 HydrophobicContact CD1-CD1 4.12Å; L412-L646 HydrophobicContact CD1-CD2 4.26Å; L412-L646 HydrophobicContact CD1-CG 3.93Å; L412-L646 HydrophobicContact CD2-CD2 3.7Å; L412-L646 HydrophobicContact CD2-CG 4.19Å; L412-L646 HydrophobicContact CG-CD2 4.25Å; L412-L646 HydrophobicContact CG-CG 4.46Å
413	R	79.2	Confident	77.8	Confident	197 Å²	197	68.7 Å²	68.7	74%	0.743	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-24.4	-178.1	-74.4	170.3	-173.2	-162.4	3.8	112.9	E409 H410 F411	E409-R413 WeakPolarHBondContact O-CD 2.94Å; E409-R413 VanDerWaalsContact O-CG 3.24Å; E409-R413 WeakPolarHBondContact O-CG 3.37Å; E409-R413 PolarHBondContact O-N 2.82Å; H410-R413 PolarHBondContact O-N 3.26Å; F411-R413 VanDerWaalsContact C-N 3.33Å; F411-R413 PolarHBondContact O-N 2.7Å
414	N	70.6	Confident	77.5	Confident	46 Å²	46	68.5 Å²	68.5	25%	0.246	32%	0.318	C	S	.	.	S	Bend	trans	-95.1	149.1	-172.5	-63.1	5.1	0	0	0	111	H410 D418 H419	H410-N414 PolarHBondContact CE1-ND2 2.83Å; H410-N414 PolarHBondContact NE2-ND2 3.33Å; H410-N414 PolarHBondContact O-N 3.45Å; H410-N414 PolarHBondContact O-OD1 2.87Å; N414-D418 HydrophobicContact CB-CB 3.92Å; N414-H419 PolarHBondContact O-NE2 3.29Å
415	K	64.4	Low	77.1	Confident	158 Å²	158	70.8 Å²	70.8	69%	0.687	33%	0.332	S	S	*	.			trans	-63.5	157.1	172.6	-63.4	-178	179	-178	0	110.6	E417 D418 H419	K415-E417 PolarHBondContact O-N 3.12Å; K415-E417 VanDerWaalsContact O-N 3.11Å; K415-D418 PolarHBondContact O-N 2.91Å; K415-H419 PolarHBondContact O-CD2 2.69Å
416	E	61.7	Low	76.6	Confident	167 Å²	167	73.3 Å²	73.3	78%	0.78	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-54.8	-32.6	-179.7	-60.2	-168.7	145.6	0	0	113	D418 H419	E416-D418 PolarHBondContact O-N 3.4Å; E416-H419 VanDerWaalsContact O-CB 3.32Å; E416-H419 WeakPolarHBondContact O-CB 3.21Å; E416-H419 PolarHBondContact O-N 2.81Å
417	E	58	Low	76	Confident	155 Å²	155	71.3 Å²	71.3	72%	0.724	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-54.1	-32.6	173	-68.5	170.4	-164.3	0	0	113.7	K415 H420	K415-E417 PolarHBondContact O-N 3.12Å; K415-E417 VanDerWaalsContact O-N 3.11Å; E417-H420 PolarHBondContact O-CE1 2.93Å; E417-H420 PolarHBondContact O-ND1 2.99Å
418	D	62	Low	75.2	Confident	58 Å²	58	75.1 Å²	75.1	31%	0.31	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-93	-4.5	179.5	-91.7	-39.7	0	0	0	113.5	N414 K415 E416 H420 K421	N414-D418 HydrophobicContact CB-CB 3.92Å; K415-D418 PolarHBondContact O-N 2.91Å; E416-D418 PolarHBondContact O-N 3.4Å; D418-H420 PolarHBondContact O-N 3.5Å; D418-K421 WeakPolarHBondContact O-CB 3.32Å; D418-K421 PolarHBondContact O-N 3.3Å; D418-K421 WeakPolarHBondContact OD1-CD 3.28Å; D418-K421 WeakPolarHBondContact OD1-CE 3.12Å; D418-K421 IonicContact OD1-NZ 2.65Å; D418-K421 PolarHBondContact OD1-NZ 3.09Å
419	H	65.9	Low	74.4	Confident	47 Å²	47	81.5 Å²	81.5	22%	0.218	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-63.6	-25.8	-177	-71.3	-172	0	0	0	112.5	F411 N414 K415 E416 K421 S422	F411-H419 HydrophobicContact CD2-CB 4.37Å; F411-H419 AromaticContact CE1-CE1 3.79Å; F411-H419 AromaticContact CE1-ND1 3.93Å; F411-H419 HydrophobicContact CE2-CB 3.74Å; F411-H419 AromaticContact CE2-CG 3.5Å; F411-H419 VanDerWaalsContact CE2-CG 3.5Å; F411-H419 AromaticContact CE2-ND1 3.49Å; F411-H419 WeakPolarHBondContact CE2-ND1 3.19Å; F411-H419 HydrophobicContact CZ-CB 4.38Å; F411-H419 AromaticContact CZ-CE1 3.6Å; F411-H419 AromaticContact CZ-CG 3.8Å; F411-H419 AromaticContact CZ-ND1 3.25Å; F411-H419 WeakPolarHBondContact CZ-ND1 3.34Å; F411-H419 PolarHBondContact O-NE2 2.75Å; N414-H419 PolarHBondContact O-NE2 3.29Å; K415-H419 PolarHBondContact O-CD2 2.69Å; E416-H419 VanDerWaalsContact O-CB 3.32Å; E416-H419 WeakPolarHBondContact O-CB 3.21Å; E416-H419 PolarHBondContact O-N 2.81Å; H419-K421 PolarHBondContact O-N 3.3Å; H419-S422 VanDerWaalsContact O-CB 3.26Å; H419-S422 WeakPolarHBondContact O-CB 3.4Å; H419-S422 PolarHBondContact O-N 3.17Å
420	H	60.9	Low	73.4	Confident	148 Å²	148	87.7 Å²	87.7	69%	0.685	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-63.3	-17.4	173.6	74.8	-91.3	0	0	0	114.2	E417 D418	E417-H420 PolarHBondContact O-CE1 2.93Å; E417-H420 PolarHBondContact O-ND1 2.99Å; D418-H420 PolarHBondContact O-N 3.5Å
421	K	67	Low	72.8	Confident	140 Å²	140	88.3 Å²	88.3	61%	0.609	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-91.2	-5.4	176.1	-57	175.4	-174	155.2	0	112.8	D418 H419	D418-K421 WeakPolarHBondContact O-CB 3.32Å; D418-K421 PolarHBondContact O-N 3.3Å; D418-K421 WeakPolarHBondContact OD1-CD 3.28Å; D418-K421 WeakPolarHBondContact OD1-CE 3.12Å; D418-K421 IonicContact OD1-NZ 2.65Å; D418-K421 PolarHBondContact OD1-NZ 3.09Å; H419-K421 PolarHBondContact O-N 3.3Å
422	S	78.4	Confident	72.8	Confident	13 Å²	13	87.5 Å²	87.5	9%	0.091	42%	0.417	C	S	.	.	S	Bend	trans	-78.3	149.8	176.8	-174.8	0	0	0	0	111.4	H419 F424	H419-S422 VanDerWaalsContact O-CB 3.26Å; H419-S422 WeakPolarHBondContact O-CB 3.4Å; H419-S422 PolarHBondContact O-N 3.17Å; S422-F424 WeakPolarHBondContact CB-O 3.4Å; S422-F424 PolarHBondContact O-N 2.98Å; S422-F424 PolarHBondContact OG-N 2.6Å; S422-F424 VanDerWaalsContact OG-N 3.08Å; S422-F424 PolarHBondContact OG-O 3.35Å
423	I	85.9	Confident	73.2	Confident	9 Å²	9	84.6 Å²	84.6	5%	0.046	40%	0.402	C	S	.	.	S	Bend	trans	-68.6	-16.4	166.9	65.5	161.8	0	0	0	112.5	M354 F403 L404 Q407 L435 S436 V439 F441	M354-I423 HydrophobicContact CE-CG2 4.21Å; M354-I423 HydrophobicContact SD-CG2 3.63Å; F403-I423 HydrophobicContact CE1-CD1 3.91Å; L404-I423 HydrophobicContact CD2-CD1 3.88Å; Q407-I423 HydrophobicContact CB-CD1 3.82Å; Q407-I423 HydrophobicContact CB-CG1 3.82Å; Q407-I423 HydrophobicContact CG-CD1 3.69Å; Q407-I423 HydrophobicContact CG-CG1 3.87Å; I423-L435 HydrophobicContact CB-CD1 4.13Å; I423-L435 HydrophobicContact CD1-CD1 4.04Å; I423-L435 HydrophobicContact CG1-CD1 4.33Å; I423-L435 WeakPolarHBondContact O-CD1 3.43Å; I423-S436 PolarHBondContact O-N 3.41Å; I423-V439 HydrophobicContact CB-CG1 4.38Å; I423-V439 HydrophobicContact CG2-CG1 4.31Å; I423-F441 HydrophobicContact CD1-CZ 4.16Å
424	F	86.9	Confident	73.6	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.8	-176.7	-71.4	-62.7	0	0	0	112	L404 Q407 L408 S422 F433 R434 T540 I543	L404-F424 HydrophobicContact CB-CZ 4.34Å; L404-F424 HydrophobicContact CD2-CE2 4.49Å; L404-F424 HydrophobicContact CD2-CZ 3.89Å; Q407-F424 HydrophobicContact CB-CD2 3.99Å; Q407-F424 HydrophobicContact CB-CE2 3.77Å; L408-F424 HydrophobicContact CD2-CD2 3.59Å; L408-F424 HydrophobicContact CD2-CE2 3.66Å; L408-F424 HydrophobicContact CD2-CG 4.06Å; L408-F424 HydrophobicContact CD2-CZ 4.19Å; L408-F424 HydrophobicContact CG-CD2 4.04Å; L408-F424 HydrophobicContact CG-CE2 3.66Å; L408-F424 HydrophobicContact CG-CZ 4.23Å; S422-F424 WeakPolarHBondContact CB-O 3.4Å; S422-F424 PolarHBondContact O-N 2.98Å; S422-F424 PolarHBondContact OG-N 2.6Å; S422-F424 VanDerWaalsContact OG-N 3.08Å; S422-F424 PolarHBondContact OG-O 3.35Å; F424-F433 HydrophobicContact CB-CB 4.29Å; F424-F433 HydrophobicContact CD1-CB 4.07Å; F424-F433 HydrophobicContact CG-CB 4.38Å; F424-R434 WeakPolarHBondContact CA-O 3.32Å; F424-T540 HydrophobicContact CD1-CG2 4.37Å; F424-T540 HydrophobicContact CE1-CG2 3.55Å; F424-T540 HydrophobicContact CZ-CG2 3.84Å; F424-I543 HydrophobicContact CE1-CD1 3.97Å; F424-I543 HydrophobicContact CZ-CD1 4.39Å
425	T	84.9	Confident	74.4	Confident	48 Å²	48	77.8 Å²	77.8	29%	0.294	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.6	165.9	56.7	0	0	0	0	109.5	F433 R434	T425-F433 CarbonylContact O-C 3.47Å; T425-F433 VanDerWaalsContact O-CA 3.27Å; T425-F433 WeakPolarHBondContact O-CA 3.42Å; T425-R434 PolarHBondContact N-O 3.06Å; T425-R434 PolarHBondContact O-N 3.4Å; T425-R434 WeakPolarHBondContact OG1-CG 3.19Å; T425-R434 PolarHBondContact OG1-NE 2.71Å
426	C	81.7	Confident	75.4	Confident	59 Å²	59	71.9 Å²	71.9	40%	0.399	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	143.9	170.8	-66.1	0	0	0	0	110.3
427	C	78.9	Confident	76.2	Confident	6 Å²	6	71.9 Å²	71.9	4%	0.041	35%	0.354	C	S	.	.			trans	-68.1	150.2	167.1	-61.2	0	0	0	0	109.6	N429 K430 G432 F433 Q541	C427-N429 PolarHBondContact O-N 3.05Å; C427-K430 WeakPolarHBondContact O-CA 3.34Å; C427-K430 PolarHBondContact O-N 3.15Å; C427-G432 WeakPolarHBondContact CB-O 3.44Å; C427-G432 PolarHBondContact N-O 3.43Å; C427-G432 VanDerWaalsContact SG-C 3.59Å; C427-G432 PolarHBondContact SG-O 2.9Å; C427-F433 VanDerWaalsContact SG-C 3.57Å; C427-Q541 PolarHBondContact SG-NE2 3.44Å
428	D	72.5	Confident	77.5	Confident	116 Å²	116	69.3 Å²	69.3	62%	0.62	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-34.2	-174.5	-42.2	-73.5	0	0	0	111.9	K430 R434	D428-K430 PolarHBondContact O-N 3.21Å; D428-K430 VanDerWaalsContact O-N 3.11Å; D428-R434 IonicContact OD1-CZ 2.77Å; D428-R434 IonicContact OD1-NH1 3.78Å; D428-R434 PolarHBondContact OD1-NH1 3.3Å; D428-R434 IonicContact OD1-NH2 3.8Å; D428-R434 PolarHBondContact OD1-NH2 3.49Å; D428-R434 IonicContact OD2-CZ 3.17Å; D428-R434 IonicContact OD2-NH1 2.79Å; D428-R434 PolarHBondContact OD2-NH1 3.15Å; D428-R434 IonicContact OD2-NH2 2.71Å; D428-R434 PolarHBondContact OD2-NH2 2.91Å
429	N	70.1	Confident	78.7	Confident	135 Å²	135	67.2 Å²	67.2	72%	0.722	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	4.7	173.6	-57	32.5	0	0	0	114.3	C427 Q431	C427-N429 PolarHBondContact O-N 3.05Å; N429-Q431 PolarHBondContact O-N 3.42Å
430	K	66.9	Low	79.9	Confident	173 Å²	173	65.8 Å²	65.8	75%	0.752	33%	0.328	S	S	*	.	S	Bend	trans	54.8	14.2	-171.7	-57.2	-170.4	178.8	-173.3	0	115.9	C427 D428	C427-K430 WeakPolarHBondContact O-CA 3.34Å; C427-K430 PolarHBondContact O-N 3.15Å; D428-K430 PolarHBondContact O-N 3.21Å; D428-K430 VanDerWaalsContact O-N 3.11Å
431	Q	72.8	Confident	81.4	Confident	96 Å²	96	58.8 Å²	58.8	45%	0.449	30%	0.295	S	S	.	.	S	Bend	trans	-110.1	101.6	177.8	-71.4	-177.9	-8.9	0	0	111.4	N429 R651	N429-Q431 PolarHBondContact O-N 3.42Å; Q431-R651 PolarHBondContact O-NH1 3.05Å; Q431-R651 VanDerWaalsContact O-NH1 3.1Å
432	G	81.2	Confident	82.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	71.7	-173.7	-177.4	0	0	0	0	0	115	C427 F539 T649	C427-G432 WeakPolarHBondContact CB-O 3.44Å; C427-G432 PolarHBondContact N-O 3.43Å; C427-G432 VanDerWaalsContact SG-C 3.59Å; C427-G432 PolarHBondContact SG-O 2.9Å; G432-F539 CarbonylContact C-O 3.39Å; G432-F539 WeakPolarHBondContact CA-O 3.41Å; G432-T649 WeakPolarHBondContact CA-O 3.45Å; G432-T649 PolarHBondContact N-O 2.96Å
433	F	86.8	Confident	83.4	Confident	5 Å²	5	51.8 Å²	51.8	2%	0.022	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.4	-170.4	-52.2	-80.1	0	0	0	111.7	L408 F411 F424 T425 C427 F539 T540 Q541 L646 T649	L408-F433 HydrophobicContact CD2-CD2 3.64Å; L408-F433 HydrophobicContact CD2-CE2 4.04Å; L408-F433 HydrophobicContact CD2-CG 4.04Å; F411-F433 AromaticContact CD1-CE1 3.94Å; F411-F433 HydrophobicContact CD1-CE1 3.94Å; F411-F433 HydrophobicContact CD1-CZ 4.39Å; F411-F433 HydrophobicContact CE1-CD1 4.3Å; F411-F433 AromaticContact CE1-CE1 3.49Å; F411-F433 HydrophobicContact CE1-CE1 3.49Å; F411-F433 VanDerWaalsContact CE1-CE1 3.49Å; F411-F433 HydrophobicContact CE1-CZ 4.21Å; F411-F433 HydrophobicContact CZ-CD1 4.48Å; F411-F433 HydrophobicContact CZ-CE1 4.02Å; F424-F433 HydrophobicContact CB-CB 4.29Å; F424-F433 HydrophobicContact CD1-CB 4.07Å; F424-F433 HydrophobicContact CG-CB 4.38Å; T425-F433 CarbonylContact O-C 3.47Å; T425-F433 VanDerWaalsContact O-CA 3.27Å; T425-F433 WeakPolarHBondContact O-CA 3.42Å; C427-F433 VanDerWaalsContact SG-C 3.57Å; F433-F539 HydrophobicContact CD2-CB 4.41Å; F433-F539 WeakPolarHBondContact CD2-O 3.49Å; F433-F539 PolarHBondContact N-O 3.16Å; F433-T540 CarbonylContact O-C 3.43Å; F433-T540 VanDerWaalsContact O-CA 3.25Å; F433-T540 WeakPolarHBondContact O-CA 3.46Å; F433-Q541 PolarHBondContact O-N 2.96Å; F433-L646 HydrophobicContact CE2-CD1 4.11Å; F433-L646 HydrophobicContact CE2-CD2 3.74Å; F433-L646 HydrophobicContact CZ-CD2 3.66Å; F433-T649 HydrophobicContact CE2-CG2 4.45Å; F433-T649 HydrophobicContact CZ-CG2 4.04Å
434	R	87.4	Confident	83.8	Confident	66 Å²	66	51.4 Å²	51.4	25%	0.249	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	156.7	164.3	64.8	177.8	165.9	-137.6	-16.1	109.4	F424 T425 D428 Q541	F424-R434 WeakPolarHBondContact CA-O 3.32Å; T425-R434 PolarHBondContact N-O 3.06Å; T425-R434 PolarHBondContact O-N 3.4Å; T425-R434 WeakPolarHBondContact OG1-CG 3.19Å; T425-R434 PolarHBondContact OG1-NE 2.71Å; D428-R434 IonicContact OD1-CZ 2.77Å; D428-R434 IonicContact OD1-NH1 3.78Å; D428-R434 PolarHBondContact OD1-NH1 3.3Å; D428-R434 IonicContact OD1-NH2 3.8Å; D428-R434 PolarHBondContact OD1-NH2 3.49Å; D428-R434 IonicContact OD2-CZ 3.17Å; D428-R434 IonicContact OD2-NH1 2.79Å; D428-R434 PolarHBondContact OD2-NH1 3.15Å; D428-R434 IonicContact OD2-NH2 2.71Å; D428-R434 PolarHBondContact OD2-NH2 2.91Å; R434-Q541 HydrophobicContact CB-CG 4.32Å
435	L	87.8	Confident	84.2	Confident	35 Å²	35	51.4 Å²	51.4	18%	0.183	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	143.2	167.7	-163.1	73.4	0	0	0	108.6	I423 V439 F441 I543	I423-L435 HydrophobicContact CB-CD1 4.13Å; I423-L435 HydrophobicContact CD1-CD1 4.04Å; I423-L435 HydrophobicContact CG1-CD1 4.33Å; I423-L435 WeakPolarHBondContact O-CD1 3.43Å; L435-V439 HydrophobicContact CD1-CB 4.39Å; L435-V439 HydrophobicContact CD1-CG1 4.09Å; L435-V439 HydrophobicContact CD2-CB 4.15Å; L435-V439 HydrophobicContact CD2-CG1 4.11Å; L435-V439 WeakPolarHBondContact CD2-O 3.47Å; L435-V439 HydrophobicContact CG-CB 4.04Å; L435-V439 HydrophobicContact CG-CG1 4.18Å; L435-F441 HydrophobicContact CD1-CE2 3.74Å; L435-F441 HydrophobicContact CD1-CZ 4.21Å; L435-F441 HydrophobicContact CD2-CD2 4.09Å; L435-F441 HydrophobicContact CD2-CE2 3.71Å; L435-F441 HydrophobicContact CG-CE2 4.42Å; L435-I543 HydrophobicContact CD2-CG2 4.05Å
436	S	85.8	Confident	84.5	Confident	34 Å²	34	49.1 Å²	49.1	24%	0.238	25%	0.247	C	C	.	.			trans	-61.8	138.5	170.8	179.9	0	0	0	0	110.4	I423 N438 V439	I423-S436 PolarHBondContact O-N 3.41Å; S436-N438 PolarHBondContact O-N 3.02Å; S436-N438 VanDerWaalsContact O-N 3.15Å; S436-V439 PolarHBondContact O-N 3.06Å
437	E	79.4	Confident	85	Confident	167 Å²	167	46.9 Å²	46.9	78%	0.78	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-29.4	-169.9	-57.7	-172.6	160.5	0	0	113.4	V439	E437-V439 VanDerWaalsContact C-N 3.3Å; E437-V439 PolarHBondContact O-N 3.14Å
438	N	83.4	Confident	85.5	Confident	100 Å²	100	46.7 Å²	46.7	54%	0.535	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-13.7	177.3	-71.9	-30.6	0	0	0	113.7	A356 G357 S436	A356-N438 CarbonylContact C-O 3.59Å; A356-N438 WeakPolarHBondContact CA-O 3.19Å; G357-N438 PolarHBondContact N-O 3.44Å; S436-N438 PolarHBondContact O-N 3.02Å; S436-N438 VanDerWaalsContact O-N 3.15Å
439	V	88.8	Confident	86.4	Confident	15 Å²	15	41.2 Å²	41.2	9%	0.091	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.7	-173.9	-179.2	0	0	0	0	110.6	M354 T355 I423 L435 S436 E437 F441	M354-V439 HydrophobicContact CG-CG1 3.7Å; M354-V439 HydrophobicContact SD-CG1 3.79Å; T355-V439 WeakPolarHBondContact O-CA 3.42Å; I423-V439 HydrophobicContact CB-CG1 4.38Å; I423-V439 HydrophobicContact CG2-CG1 4.31Å; L435-V439 HydrophobicContact CD1-CB 4.39Å; L435-V439 HydrophobicContact CD1-CG1 4.09Å; L435-V439 HydrophobicContact CD2-CB 4.15Å; L435-V439 HydrophobicContact CD2-CG1 4.11Å; L435-V439 WeakPolarHBondContact CD2-O 3.47Å; L435-V439 HydrophobicContact CG-CB 4.04Å; L435-V439 HydrophobicContact CG-CG1 4.18Å; S436-V439 PolarHBondContact O-N 3.06Å; E437-V439 VanDerWaalsContact C-N 3.3Å; E437-V439 PolarHBondContact O-N 3.14Å; V439-F441 HydrophobicContact CG1-CZ 4.35Å
440	Q	89.6	Confident	87.3	Confident	17 Å²	17	35.1 Å²	35.1	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.5	178.9	-61	-169	9.5	0	0	112	M354 T355 H442 S546	M354-Q440 CarbonylContact C-O 3.56Å; M354-Q440 VanDerWaalsContact CA-O 3.31Å; M354-Q440 WeakPolarHBondContact CA-O 3.15Å; T355-Q440 PolarHBondContact N-O 3.49Å; T355-Q440 PolarHBondContact O-N 3.16Å; Q440-H442 PolarHBondContact OE1-CE1 3.44Å; Q440-S546 VanDerWaalsContact OE1-CB 3.22Å; Q440-S546 PolarHBondContact OE1-OG 2.92Å
441	F	92.7	Very high	88.3	Confident	1 Å²	1	27 Å²	27	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.1	175.4	-62.5	-72.8	0	0	0	111.8	V352 M354 V366 L400 F403 L404 I423 L435 V439 F531 I543 F545 S546	V352-F441 HydrophobicContact CG1-CB 4.12Å; V352-F441 HydrophobicContact CG1-CD1 4.07Å; M354-F441 HydrophobicContact CB-CD1 4.02Å; M354-F441 HydrophobicContact CB-CE1 3.92Å; M354-F441 HydrophobicContact CG-CD1 4.23Å; M354-F441 HydrophobicContact CG-CE1 3.84Å; M354-F441 HydrophobicContact CG-CZ 4.49Å; M354-F441 HydrophobicContact SD-CE1 3.92Å; M354-F441 HydrophobicContact SD-CZ 4.27Å; V366-F441 HydrophobicContact CG2-CE1 4.31Å; L400-F441 HydrophobicContact CD1-CD1 3.94Å; L400-F441 HydrophobicContact CD1-CE1 3.92Å; F403-F441 HydrophobicContact CE1-CE1 4.08Å; F403-F441 HydrophobicContact CE1-CZ 4.27Å; L404-F441 HydrophobicContact CD2-CE2 4.44Å; L404-F441 HydrophobicContact CD2-CZ 4.2Å; I423-F441 HydrophobicContact CD1-CZ 4.16Å; L435-F441 HydrophobicContact CD1-CE2 3.74Å; L435-F441 HydrophobicContact CD1-CZ 4.21Å; L435-F441 HydrophobicContact CD2-CD2 4.09Å; L435-F441 HydrophobicContact CD2-CE2 3.71Å; L435-F441 HydrophobicContact CG-CE2 4.42Å; V439-F441 HydrophobicContact CG1-CZ 4.35Å; F441-F531 HydrophobicContact CB-CE1 4.27Å; F441-F531 AromaticContact CD2-CE1 3.84Å; F441-F531 HydrophobicContact CD2-CE1 3.84Å; F441-F531 AromaticContact CD2-CZ 3.57Å; F441-F531 HydrophobicContact CD2-CZ 3.57Å; F441-F531 AromaticContact CE2-CZ 3.96Å; F441-F531 HydrophobicContact CE2-CZ 3.96Å; F441-F531 HydrophobicContact CG-CE1 4.29Å; F441-F531 HydrophobicContact CG-CZ 4.09Å; F441-I543 HydrophobicContact CD2-CG2 4.14Å; F441-I543 HydrophobicContact CE2-CG2 4.15Å; F441-F545 HydrophobicContact CB-CD1 3.92Å; F441-F545 HydrophobicContact CB-CE1 4.21Å; F441-F545 WeakPolarHBondContact O-CA 3.49Å; F441-S546 PolarHBondContact O-N 3.22Å
442	H	93.1	Very high	89	Confident	4 Å²	4	22.4 Å²	22.4	2%	0.019	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	122.3	-175.1	-55.1	-61.8	0	0	0	109.7	H315 V324 V352 V353 T355 Q440 S547	H315-H442 AromaticContact NE2-NE2 3.96Å; V324-H442 HydrophobicContact CG1-CB 4.27Å; V324-H442 HydrophobicContact CG2-CB 4.07Å; V352-H442 WeakPolarHBondContact CA-O 3.11Å; V353-H442 PolarHBondContact N-O 2.93Å; V353-H442 PolarHBondContact O-N 2.97Å; T355-H442 WeakPolarHBondContact CB-NE2 3.36Å; T355-H442 WeakPolarHBondContact CG2-NE2 3.43Å; T355-H442 PolarHBondContact OG1-NE2 3.38Å; Q440-H442 PolarHBondContact OE1-CE1 3.44Å; H442-S547 WeakPolarHBondContact CB-OG 3.49Å; H442-S547 VanDerWaalsContact CG-OG 3.28Å; H442-S547 PolarHBondContact ND1-OG 3.22Å
443	L	94.4	Very high	89.2	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.1	-176.8	177	61.2	0	0	0	111	V352 I445 I519 F545 S547 I548 I549	V352-L443 HydrophobicContact CG2-CD1 3.96Å; L443-I445 HydrophobicContact CD1-CG1 4.39Å; L443-I445 HydrophobicContact CD2-CD1 4.2Å; L443-I445 HydrophobicContact CD2-CG1 4.44Å; L443-I445 HydrophobicContact CG-CD1 4.39Å; L443-I445 HydrophobicContact CG-CG1 4.09Å; L443-I519 HydrophobicContact CD2-CG2 4.12Å; L443-F545 HydrophobicContact CB-CD1 3.89Å; L443-F545 HydrophobicContact CB-CE1 3.96Å; L443-F545 HydrophobicContact CB-CG 4.27Å; L443-F545 HydrophobicContact CB-CZ 4.37Å; L443-F545 HydrophobicContact CD2-CE2 4.34Å; L443-F545 HydrophobicContact CD2-CZ 4.49Å; L443-S547 PolarHBondContact N-O 2.88Å; L443-I548 HydrophobicContact CD2-CG2 4.39Å; L443-I548 HydrophobicContact CG-CG2 4.49Å; L443-I548 WeakPolarHBondContact O-CA 3.39Å; L443-I549 PolarHBondContact O-N 3.04Å
444	Y	95.4	Very high	89.2	Confident	1 Å²	1	26.3 Å²	26.3	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.7	169	179.2	-114	0	0	0	111.1	S325 V328 V329 L349 A350 G351 I549 I587	S325-Y444 WeakPolarHBondContact OG-CE2 3.45Å; S325-Y444 PolarHBondContact OG-OH 2.91Å; V328-Y444 HydrophobicContact CB-CD1 3.97Å; V328-Y444 HydrophobicContact CG1-CD1 3.79Å; V328-Y444 HydrophobicContact CG1-CE1 4.46Å; V328-Y444 HydrophobicContact CG2-CD1 4.48Å; V329-Y444 HydrophobicContact CG2-CE1 4.49Å; L349-Y444 HydrophobicContact CD2-CE1 4.4Å; A350-Y444 WeakPolarHBondContact CA-O 3.38Å; A350-Y444 WeakPolarHBondContact CB-O 3.38Å; G351-Y444 PolarHBondContact N-O 2.83Å; G351-Y444 PolarHBondContact O-N 2.67Å; Y444-I549 HydrophobicContact CD2-CB 4.33Å; Y444-I549 HydrophobicContact CD2-CG2 3.96Å; Y444-I549 WeakPolarHBondContact CD2-O 3.21Å; Y444-I549 HydrophobicContact CE2-CG2 4.46Å; Y444-I587 HydrophobicContact CE2-CG2 4.16Å
445	I	94.3	Very high	88.9	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	126.1	168.3	-42.1	172.4	0	0	0	108	V348 A350 E393 L443 T447 P449 I519 I549 L550 G551	V348-I445 HydrophobicContact CG1-CG2 3.99Å; A350-I445 HydrophobicContact CB-CG2 4.37Å; E393-I445 HydrophobicContact CB-CD1 3.79Å; E393-I445 HydrophobicContact CB-CG1 4.1Å; E393-I445 HydrophobicContact CB-CG2 4.3Å; L443-I445 HydrophobicContact CD1-CG1 4.39Å; L443-I445 HydrophobicContact CD2-CD1 4.2Å; L443-I445 HydrophobicContact CD2-CG1 4.44Å; L443-I445 HydrophobicContact CG-CD1 4.39Å; L443-I445 HydrophobicContact CG-CG1 4.09Å; I445-T447 VanDerWaalsContact CG2-O 3.24Å; I445-T447 WeakPolarHBondContact CG2-O 3.23Å; I445-T447 PolarHBondContact O-N 2.81Å; I445-P449 HydrophobicContact CD1-CB 4.42Å; I445-P449 HydrophobicContact CD1-CG 4.49Å; I445-I519 HydrophobicContact CD1-CD1 3.42Å; I445-I519 VanDerWaalsContact CD1-CD1 3.42Å; I445-I549 PolarHBondContact N-O 3.28Å; I445-L550 HydrophobicContact CB-CD2 4.07Å; I445-L550 HydrophobicContact CD1-CD2 4.43Å; I445-L550 CarbonylContact O-C 3.51Å; I445-L550 WeakPolarHBondContact O-CA 3.25Å; I445-G551 PolarHBondContact O-N 3.02Å
446	S	92	Very high	88.5	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-69.4	-5.4	-171.3	102	0	0	0	0	114.8	R346 L349 G551 S552 E591	R346-S446 PolarHBondContact NH1-OG 2.76Å; R346-S446 VanDerWaalsContact NH1-OG 3.12Å; L349-S446 PolarHBondContact N-OG 2.77Å; L349-S446 WeakPolarHBondContact O-CB 3.3Å; L349-S446 PolarHBondContact O-N 2.86Å; S446-G551 CarbonylContact O-C 3.56Å; S446-G551 WeakPolarHBondContact O-CA 3.44Å; S446-S552 PolarHBondContact O-N 3.41Å; S446-S552 PolarHBondContact O-OG 3.13Å; S446-E591 VanDerWaalsContact CB-CD 3.47Å; S446-E591 WeakPolarHBondContact CB-OE2 3.41Å; S446-E591 PolarHBondContact OG-OE2 3.26Å
447	T	91.1	Very high	87.8	Confident	13 Å²	13	23.4 Å²	23.4	8%	0.08	12%	0.116	C	C	.	.	S	Bend	trans	-155.2	151.6	172.1	175.1	0	0	0	0	110	V348 I445 R454 S552	V348-T447 HydrophobicContact CB-CG2 4.36Å; V348-T447 HydrophobicContact CG1-CG2 4.05Å; V348-T447 HydrophobicContact CG2-CG2 3.51Å; I445-T447 VanDerWaalsContact CG2-O 3.24Å; I445-T447 WeakPolarHBondContact CG2-O 3.23Å; I445-T447 PolarHBondContact O-N 2.81Å; T447-R454 VanDerWaalsContact CG2-NH2 3.35Å; T447-S552 CarbonylContact C-O 3.5Å; T447-S552 VanDerWaalsContact CA-O 3.29Å; T447-S552 WeakPolarHBondContact CA-O 3.35Å; T447-S552 WeakPolarHBondContact CA-OG 3.39Å; T447-S552 WeakPolarHBondContact CB-OG 3.46Å
448	S	90.3	Very high	87.1	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.007	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-46.8	131.3	172.8	175.8	0	0	0	0	112.4	A453 R454 S552 L553	S448-A453 VanDerWaalsContact OG-C 3.25Å; S448-A453 WeakPolarHBondContact OG-CB 3.37Å; S448-A453 PolarHBondContact OG-O 3.39Å; S448-R454 PolarHBondContact O-NE 2.68Å; S448-R454 PolarHBondContact O-NH2 2.68Å; S448-S552 PolarHBondContact N-O 3.26Å; S448-L553 VanDerWaalsContact CB-O 3.29Å; S448-L553 WeakPolarHBondContact CB-O 3.22Å
449	P	90.7	Very high	86.2	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-63.5	150.3	-171.5	25.7	-35.5	0	0	0	112.7	I445 G451 A453 C515 S516 I519	I445-P449 HydrophobicContact CD1-CB 4.42Å; I445-P449 HydrophobicContact CD1-CG 4.49Å; P449-G451 PolarHBondContact O-N 2.72Å; P449-A453 HydrophobicContact CG-CB 4.1Å; P449-C515 HydrophobicContact CB-CB 3.83Å; P449-S516 PolarHBondContact O-OG 2.77Å; P449-I519 HydrophobicContact CB-CD1 3.55Å; P449-I519 HydrophobicContact CG-CD1 3.75Å
450	C	89.9	Confident	84.7	Confident	7 Å²	7	25.3 Å²	25.3	5%	0.047	13%	0.126	C	C	.	.	S	Bend	trans	-71.8	125.4	-175.4	72.1	0	0	0	0	112.4	H391 T489 S514 C515 S516	H391-C450 PolarHBondContact CE1-SG 3.33Å; C450-T489 HydrophobicContact CB-CG2 4.07Å; C450-S514 CarbonylContact O-C 2.9Å; C450-S514 VanDerWaalsContact O-CB 3.24Å; C450-S514 WeakPolarHBondContact O-CB 3.24Å; C450-S514 PolarHBondContact O-OG 3.43Å; C450-C515 CarbonylContact O-C 3.56Å; C450-C515 WeakPolarHBondContact O-CA 3.33Å; C450-C515 PolarHBondContact O-N 2.87Å; C450-S516 PolarHBondContact O-N 2.86Å; C450-S516 PolarHBondContact O-OG 2.61Å
451	G	88.1	Confident	82.7	Confident	2 Å²	2	27.8 Å²	27.8	2%	0.021	15%	0.149	C	C	.	.	S	Bend	trans	138.5	-156.2	-172	0	0	0	0	0	109.8	P449 A453 R454 I455 S516	P449-G451 PolarHBondContact O-N 2.72Å; G451-A453 PolarHBondContact O-N 2.82Å; G451-A453 VanDerWaalsContact O-N 3.13Å; G451-R454 PolarHBondContact O-N 3.23Å; G451-I455 WeakPolarHBondContact O-CG1 3.47Å; G451-S516 WeakPolarHBondContact CA-OG 3.4Å; G451-S516 PolarHBondContact N-OG 2.95Å
452	D	86.8	Confident	80.6	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-52.6	-33.9	-177.4	-172.3	52.9	0	0	0	114.5	R454 I455 R476 G477 S516 R561 A562	D452-R454 PolarHBondContact O-N 3.49Å; D452-I455 PolarHBondContact O-N 3.03Å; D452-R476 WeakPolarHBondContact OD1-CA 3.38Å; D452-G477 VanDerWaalsContact CG-N 3.27Å; D452-G477 PolarHBondContact OD1-N 2.89Å; D452-S516 PolarHBondContact N-OG 3.46Å; D452-R561 PolarHBondContact O-NH2 3.09Å; D452-R561 IonicContact OD1-CZ 3.01Å; D452-R561 IonicContact OD1-NE 3.92Å; D452-R561 IonicContact OD1-NH2 2.58Å; D452-R561 PolarHBondContact OD1-NH2 2.78Å; D452-R561 IonicContact OD2-CZ 2.66Å; D452-R561 IonicContact OD2-NE 3.01Å; D452-R561 PolarHBondContact OD2-NE 3.28Å; D452-R561 IonicContact OD2-NH2 3.08Å; D452-R561 PolarHBondContact OD2-NH2 3.07Å; D452-A562 HydrophobicContact CB-CB 3.93Å; D452-A562 WeakPolarHBondContact OD2-CA 3.47Å; D452-A562 WeakPolarHBondContact OD2-CB 3.24Å
453	A	85.8	Confident	78.2	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.008	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-64.9	-10.3	179.3	0	0	0	0	0	113.5	S448 P449 G451 F456 S516 L559 A562	S448-A453 VanDerWaalsContact OG-C 3.25Å; S448-A453 WeakPolarHBondContact OG-CB 3.37Å; S448-A453 PolarHBondContact OG-O 3.39Å; P449-A453 HydrophobicContact CG-CB 4.1Å; G451-A453 PolarHBondContact O-N 2.82Å; G451-A453 VanDerWaalsContact O-N 3.13Å; A453-F456 WeakPolarHBondContact O-CE1 3.23Å; A453-S516 WeakPolarHBondContact CB-OG 3.36Å; A453-S516 PolarHBondContact N-OG 2.74Å; A453-S516 VanDerWaalsContact N-OG 3.1Å; A453-L559 HydrophobicContact CB-CD1 4.03Å; A453-A562 HydrophobicContact CB-CB 3.68Å
454	R	86.1	Confident	75.8	Confident	87 Å²	87	43 Å²	43	33%	0.328	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-120	12.7	177.3	-150	-168.8	-73.6	-171.5	-4.9	113.1	T447 S448 G451 D452 F456 L553	T447-R454 VanDerWaalsContact CG2-NH2 3.35Å; S448-R454 PolarHBondContact O-NE 2.68Å; S448-R454 PolarHBondContact O-NH2 2.68Å; G451-R454 PolarHBondContact O-N 3.23Å; D452-R454 PolarHBondContact O-N 3.49Å; R454-F456 PolarHBondContact O-N 3.48Å; R454-L553 HydrophobicContact CG-CD1 4.01Å
455	I	82.2	Confident	73.4	Confident	18 Å²	18	51.1 Å²	51.1	9%	0.092	28%	0.279	C	S	.	.			trans	-94.2	64.7	178	-50.4	-57.5	0	0	0	111	G451 D452 N472 R476	G451-I455 WeakPolarHBondContact O-CG1 3.47Å; D452-I455 PolarHBondContact O-N 3.03Å; I455-N472 HydrophobicContact CG2-CB 3.64Å; I455-R476 HydrophobicContact CG2-CG 4.31Å; I455-R476 PolarHBondContact O-NE 2.75Å
456	F	78.3	Confident	70.8	Confident	19 Å²	19	59.1 Å²	59.1	8%	0.083	32%	0.316	C	S	.	.	S	Bend	trans	-152.8	159.2	175	71.6	-82.6	0	0	0	111.4	A453 R454 P458 L553 H555 H558	A453-F456 WeakPolarHBondContact O-CE1 3.23Å; R454-F456 PolarHBondContact O-N 3.48Å; F456-P458 HydrophobicContact CD2-CG 4.47Å; F456-P458 HydrophobicContact CE2-CB 4.15Å; F456-P458 HydrophobicContact CE2-CG 4.07Å; F456-P458 WeakPolarHBondContact O-CD 3.25Å; F456-L553 WeakPolarHBondContact CZ-O 3.42Å; F456-H555 HydrophobicContact CD2-CB 4.39Å; F456-H555 AromaticContact CD2-CD2 3.87Å; F456-H555 HydrophobicContact CE1-CB 4.13Å; F456-H555 HydrophobicContact CE2-CB 3.77Å; F456-H555 AromaticContact CE2-CD2 3.76Å; F456-H555 HydrophobicContact CZ-CB 3.62Å; F456-H558 WeakPolarHBondContact CB-CD2 3.48Å; F456-H558 WeakPolarHBondContact CB-NE2 3.37Å; F456-H558 HydrophobicContact CD1-CB 3.85Å; F456-H558 AromaticContact CD1-CD2 3.78Å; F456-H558 AromaticContact CD1-CG 3.87Å; F456-H558 AromaticContact CD2-CD2 3.79Å; F456-H558 HydrophobicContact CE1-CB 4.31Å; F456-H558 HydrophobicContact CG-CB 4.35Å; F456-H558 AromaticContact CG-CD2 3.37Å; F456-H558 WeakPolarHBondContact CG-CD2 3.46Å; F456-H558 AromaticContact CG-CG 3.86Å; F456-H558 AromaticContact CG-NE2 3.84Å
457	S	70.9	Confident	68.7	Low	36 Å²	36	62.2 Å²	62.2	25%	0.252	34%	0.338	S	S	.	.			trans	-85.3	118.5	169.9	-47.8	0	0	0	0	109.7	H459 E460 H470	S457-H459 PolarHBondContact O-N 2.83Å; S457-E460 WeakPolarHBondContact CB-OE2 3.29Å; S457-E460 PolarHBondContact O-N 2.85Å; S457-E460 VanDerWaalsContact O-N 3.14Å; S457-E460 PolarHBondContact OG-OE2 2.56Å; S457-H470 PolarHBondContact OG-CD2 2.93Å
458	P	64.8	Low	66.9	Low	59 Å²	59	64 Å²	64	38%	0.383	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	10.9	177.9	-19.2	34.2	0	0	0	115	F456 L553	F456-P458 HydrophobicContact CD2-CG 4.47Å; F456-P458 HydrophobicContact CE2-CB 4.15Å; F456-P458 HydrophobicContact CE2-CG 4.07Å; F456-P458 WeakPolarHBondContact O-CD 3.25Å; P458-L553 HydrophobicContact CB-CD2 4.09Å; P458-L553 HydrophobicContact CG-CD2 3.68Å
459	H	64	Low	65.1	Low	183 Å²	183	74.7 Å²	74.7	85%	0.847	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	-6.4	-178.9	-60.2	-48.2	0	0	0	112.9	S457 A461	S457-H459 PolarHBondContact O-N 2.83Å; H459-A461 PolarHBondContact O-N 3.36Å
460	E	58	Low	63.6	Low	80 Å²	80	76.3 Å²	76.3	37%	0.374	40%	0.395	S	S	.	.	S	Bend	trans	-69.9	123.4	158.8	-86.2	166	127.4	0	0	106.4	S457 H470	S457-E460 WeakPolarHBondContact CB-OE2 3.29Å; S457-E460 PolarHBondContact O-N 2.85Å; S457-E460 VanDerWaalsContact O-N 3.14Å; S457-E460 PolarHBondContact OG-OE2 2.56Å; E460-H470 IonicContact OE2-CD2 3.59Å
461	A	48	Very low	61.9	Low	69 Å²	69	81.7 Å²	81.7	57%	0.57	43%	0.43	S	S	*	.			trans	-68.9	156.4	164.3	0	0	0	0	0	108.5	H459 V463	H459-A461 PolarHBondContact O-N 3.36Å; A461-V463 HydrophobicContact CB-CG2 4.2Å; A461-V463 PolarHBondContact O-N 2.91Å
462	A	48.7	Very low	60.6	Low	47 Å²	47	84.8 Å²	84.8	39%	0.388	45%	0.446	S	S	.	.			trans	-72.2	71.6	169.7	0	0	0	0	0	109.4	V301 E464	V301-A462 HydrophobicContact CG1-CB 4.08Å; A462-E464 PolarHBondContact O-N 2.87Å
463	V	43	Very low	59.5	Low	108 Å²	108	91 Å²	91	66%	0.655	47%	0.469	S	S	*	.			trans	-80.8	106.5	168.7	-177.5	0	0	0	0	106.3	A461 Q466	A461-V463 HydrophobicContact CB-CG2 4.2Å; A461-V463 PolarHBondContact O-N 2.91Å; V463-Q466 HydrophobicContact CG1-CB 4.49Å
464	E	44.3	Very low	58.4	Low	170 Å²	170	100.5 Å²	100.5	79%	0.794	51%	0.51	S	S	*	.			trans	-64.1	146.1	174.8	-65.2	-177.7	142.7	0	0	110.5	A462 Q466	A462-E464 PolarHBondContact O-N 2.87Å; E464-Q466 VanDerWaalsContact C-N 3.3Å; E464-Q466 PolarHBondContact O-N 3.45Å
465	D	43.2	Very low	57.4	Low	172 Å²	172	97 Å²	97	92%	0.92	50%	0.501	S	S	*	.	S	Bend	trans	60	-8.4	167.7	-134.5	24.4	0	0	0	121.6	S467	D465-S467 VanDerWaalsContact C-N 3.31Å; D465-S467 PolarHBondContact O-N 3.44Å
466	Q	41.7	Very low	57.1	Low	168 Å²	168	98.5 Å²	98.5	79%	0.785	51%	0.505	S	S	*	.	S	Bend	trans	-86.9	61.2	170.6	-71.6	-144.7	10.1	0	0	114.9	V463 E464 D468	V463-Q466 HydrophobicContact CG1-CB 4.49Å; E464-Q466 VanDerWaalsContact C-N 3.3Å; E464-Q466 PolarHBondContact O-N 3.45Å; Q466-D468 PolarHBondContact O-N 2.74Å
467	S	47.1	Very low	57	Low	66 Å²	66	97.8 Å²	97.8	46%	0.462	50%	0.503	S	S	.	.			trans	48.1	59.1	156.2	69.5	0	0	0	0	116.5	D465 R469	D465-S467 VanDerWaalsContact C-N 3.31Å; D465-S467 PolarHBondContact O-N 3.44Å; S467-R469 VanDerWaalsContact O-CG 3.23Å; S467-R469 WeakPolarHBondContact O-CG 3.5Å; S467-R469 PolarHBondContact O-N 3.36Å
468	D	53	Low	57.7	Low	50 Å²	50	99 Å²	99	27%	0.267	50%	0.504	S	S	.	.			trans	-30.3	113	172.6	174.5	-39	0	0	0	112.2	Q466 H470 R473 R476	Q466-D468 PolarHBondContact O-N 2.74Å; D468-H470 WeakPolarHBondContact OD1-CB 2.93Å; D468-H470 PolarHBondContact OD1-N 2.76Å; D468-R473 WeakPolarHBondContact O-CD 3.44Å; D468-R473 PolarHBondContact O-NH1 2.82Å; D468-R476 IonicContact OD1-NH2 3.22Å; D468-R476 IonicContact OD2-CZ 2.65Å; D468-R476 IonicContact OD2-NH1 2.94Å; D468-R476 PolarHBondContact OD2-NH1 2.85Å; D468-R476 IonicContact OD2-NH2 2.75Å; D468-R476 PolarHBondContact OD2-NH2 2.92Å
469	R	53.5	Low	58.8	Low	225 Å²	225	96.2 Å²	96.2	85%	0.849	49%	0.486	S	S	*	.			trans	-95.3	8.8	-173.2	-61.8	-169.8	178.8	-175	-0.2	112.6	S467	S467-R469 VanDerWaalsContact O-CG 3.23Å; S467-R469 WeakPolarHBondContact O-CG 3.5Å; S467-R469 PolarHBondContact O-N 3.36Å
470	H	58.3	Low	60	Low	35 Å²	35	88.1 Å²	88.1	16%	0.162	45%	0.448	C	S	.	.			trans	-65.1	127.6	-173.7	-170.2	-91.6	0	0	0	110.2	S457 E460 D468 N472 R473	S457-H470 PolarHBondContact OG-CD2 2.93Å; E460-H470 IonicContact OE2-CD2 3.59Å; D468-H470 WeakPolarHBondContact OD1-CB 2.93Å; D468-H470 PolarHBondContact OD1-N 2.76Å; H470-N472 PolarHBondContact ND1-N 3.15Å; H470-N472 PolarHBondContact O-N 2.9Å; H470-R473 WeakPolarHBondContact O-CB 3.39Å; H470-R473 PolarHBondContact O-N 2.95Å
471	P	54.4	Low	61.5	Low	120 Å²	120	84.6 Å²	84.6	78%	0.779	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.5	-171.2	21.2	-32.8	0	0	0	113.3	R473	P471-R473 VanDerWaalsContact C-N 3.33Å; P471-R473 PolarHBondContact O-N 2.89Å
472	N	60.4	Low	63.6	Low	68 Å²	68	81.5 Å²	81.5	36%	0.364	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	7.2	174	-64	-47.2	0	0	0	114.7	I455 H470 K474 A475 R476	I455-N472 HydrophobicContact CG2-CB 3.64Å; H470-N472 PolarHBondContact ND1-N 3.15Å; H470-N472 PolarHBondContact O-N 2.9Å; N472-K474 VanDerWaalsContact C-N 3.33Å; N472-K474 PolarHBondContact O-N 3.45Å; N472-A475 CarbonylContact O-C 3.42Å; N472-A475 WeakPolarHBondContact O-CA 3.42Å; N472-A475 PolarHBondContact O-N 3.04Å; N472-R476 PolarHBondContact O-N 3.4Å
473	R	64.8	Low	65.2	Low	129 Å²	129	82.4 Å²	82.4	49%	0.487	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-57.7	-43.7	-178.3	-179.1	176.2	176.6	-169.1	-1.7	112	D468 H470 P471 A475 R476	D468-R473 WeakPolarHBondContact O-CD 3.44Å; D468-R473 PolarHBondContact O-NH1 2.82Å; H470-R473 WeakPolarHBondContact O-CB 3.39Å; H470-R473 PolarHBondContact O-N 2.95Å; P471-R473 VanDerWaalsContact C-N 3.33Å; P471-R473 PolarHBondContact O-N 2.89Å; R473-A475 PolarHBondContact O-N 3.08Å; R473-A475 VanDerWaalsContact O-N 3.14Å; R473-R476 PolarHBondContact O-N 3.06Å
474	K	62.4	Low	66.9	Low	201 Å²	201	79.3 Å²	79.3	87%	0.874	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-65.2	-9.3	173.4	-65.7	-172.1	177.6	-175	0	114.3	N472 Q478	N472-K474 VanDerWaalsContact C-N 3.33Å; N472-K474 PolarHBondContact O-N 3.45Å; K474-Q478 PolarHBondContact O-NE2 3.48Å
475	A	63.7	Low	68.2	Low	15 Å²	15	75.5 Å²	75.5	12%	0.124	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-118.8	14.2	-178.2	0	0	0	0	0	113.6	N472 R473	N472-A475 CarbonylContact O-C 3.42Å; N472-A475 WeakPolarHBondContact O-CA 3.42Å; N472-A475 PolarHBondContact O-N 3.04Å; R473-A475 PolarHBondContact O-N 3.08Å; R473-A475 VanDerWaalsContact O-N 3.14Å
476	R	76.5	Confident	69.9	Low	49 Å²	49	68.4 Å²	68.4	19%	0.185	34%	0.341	C	S	.	.	S	Bend	trans	-74.3	152.8	166.1	-69.9	-175.1	-177.6	145.8	10.3	109.9	D452 I455 D468 N472 R473 Q478	D452-R476 WeakPolarHBondContact OD1-CA 3.38Å; I455-R476 HydrophobicContact CG2-CG 4.31Å; I455-R476 PolarHBondContact O-NE 2.75Å; D468-R476 IonicContact OD1-NH2 3.22Å; D468-R476 IonicContact OD2-CZ 2.65Å; D468-R476 IonicContact OD2-NH1 2.94Å; D468-R476 PolarHBondContact OD2-NH1 2.85Å; D468-R476 IonicContact OD2-NH2 2.75Å; D468-R476 PolarHBondContact OD2-NH2 2.92Å; N472-R476 PolarHBondContact O-N 3.4Å; R473-R476 PolarHBondContact O-N 3.06Å; R476-Q478 PolarHBondContact O-N 3.26Å
477	G	76.6	Confident	71.7	Confident	4 Å²	4	63.7 Å²	63.7	4%	0.041	32%	0.319	C	S	.	.	S	Bend	trans	72.6	-28.5	-175.9	0	0	0	0	0	114.9	D452 R566	D452-G477 VanDerWaalsContact CG-N 3.27Å; D452-G477 PolarHBondContact OD1-N 2.89Å; G477-R566 WeakPolarHBondContact O-CD 2.93Å; G477-R566 PolarHBondContact O-NH1 3.06Å
478	Q	86.1	Confident	73.4	Confident	60 Å²	60	62 Å²	62	28%	0.28	31%	0.313	S	S	.	.			trans	-57.2	146.1	179.8	-68.9	179.8	-10.3	0	0	113	K474 R476 R480	K474-Q478 PolarHBondContact O-NE2 3.48Å; R476-Q478 PolarHBondContact O-N 3.26Å; Q478-R480 WeakPolarHBondContact O-CG 3.1Å
479	L	87.8	Confident	75.1	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	31%	0.306	C	S	.	.			trans	-64	143.2	169.3	-76.2	-175.4	0	0	0	111.2	P491 V492 M513 D517 F681 L686 G687 W689	L479-P491 WeakPolarHBondContact O-CA 3.36Å; L479-V492 HydrophobicContact CB-CB 4.4Å; L479-V492 HydrophobicContact CB-CG2 3.92Å; L479-V492 PolarHBondContact O-N 2.79Å; L479-M513 HydrophobicContact CB-CE 3.91Å; L479-M513 HydrophobicContact CD1-CE 4.18Å; L479-M513 HydrophobicContact CD2-CE 4.01Å; L479-M513 HydrophobicContact CG-CE 4.28Å; L479-D517 HydrophobicContact CD2-CB 3.88Å; L479-F681 HydrophobicContact CD1-CB 4.2Å; L479-F681 HydrophobicContact CD1-CD1 4Å; L479-F681 HydrophobicContact CD1-CG 4.06Å; L479-F681 HydrophobicContact CD2-CD1 3.61Å; L479-F681 HydrophobicContact CD2-CE1 3.35Å; L479-F681 HydrophobicContact CD2-CE2 4.43Å; L479-F681 HydrophobicContact CD2-CG 4.27Å; L479-F681 HydrophobicContact CD2-CZ 3.79Å; L479-F681 HydrophobicContact CG-CD1 3.64Å; L479-F681 HydrophobicContact CG-CE1 3.91Å; L479-F681 HydrophobicContact CG-CG 4.22Å; L479-L686 WeakPolarHBondContact CB-O 3.3Å; L479-L686 PolarHBondContact N-O 3.3Å; L479-G687 WeakPolarHBondContact CD1-O 3.33Å; L479-W689 HydrophobicContact CD1-CB 4.37Å; L479-W689 HydrophobicContact CD1-CE3 4.17Å; L479-W689 HydrophobicContact CD2-CE3 4.11Å; L479-W689 HydrophobicContact CD2-CZ3 4.26Å
480	R	88.5	Confident	76.6	Confident	14 Å²	14	53.3 Å²	53.3	5%	0.053	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.6	-176.1	-50.1	-177.6	69	94.2	0.7	111.4	Q478 T489 I490 M513 S514 D517	Q478-R480 WeakPolarHBondContact O-CG 3.1Å; R480-T489 PolarHBondContact NE-OG1 3.37Å; R480-T489 PolarHBondContact NH2-O 3.25Å; R480-I490 CarbonylContact C-O 3.58Å; R480-I490 VanDerWaalsContact CA-O 3.24Å; R480-I490 WeakPolarHBondContact CA-O 3.48Å; R480-I490 WeakPolarHBondContact CB-O 3.3Å; R480-M513 WeakPolarHBondContact O-CE 3.38Å; R480-S514 WeakPolarHBondContact O-CB 3.24Å; R480-S514 PolarHBondContact O-N 3.34Å; R480-D517 WeakPolarHBondContact CA-OD2 3.39Å; R480-D517 PolarHBondContact N-OD2 3.19Å
481	T	90.1	Very high	78	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	147.6	170.4	52.6	0	0	0	0	110.3	T489 I490 V492 R509 L511 T512 M513 V690	T481-T489 CarbonylContact O-C 3.56Å; T481-T489 WeakPolarHBondContact O-CA 3.05Å; T481-T489 WeakPolarHBondContact O-CB 3.45Å; T481-I490 PolarHBondContact N-O 2.87Å; T481-I490 PolarHBondContact O-N 2.91Å; T481-V492 HydrophobicContact CG2-CG2 3.99Å; T481-R509 PolarHBondContact OG1-NH2 3.07Å; T481-L511 HydrophobicContact CG2-CB 4.02Å; T481-L511 HydrophobicContact CG2-CD2 4.33Å; T481-T512 CarbonylContact C-O 3.54Å; T481-T512 WeakPolarHBondContact CA-O 3.16Å; T481-M513 HydrophobicContact CG2-SD 3.8Å; T481-V690 HydrophobicContact CG2-CG2 4.07Å
482	K	90.6	Very high	79.4	Confident	4 Å²	4	49 Å²	49	2%	0.017	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	154.3	172.3	-62.1	-178.9	176.9	-167.8	0	110.3	C374 D389 H391 G488 T489 R509 T512 M513 C515	C374-K482 WeakPolarHBondContact SG-CD 3.24Å; D389-K482 IonicContact OD1-NZ 3.77Å; D389-K482 PolarHBondContact OD1-NZ 3.11Å; D389-K482 IonicContact OD2-NZ 2.89Å; D389-K482 PolarHBondContact OD2-NZ 2.8Å; H391-K482 PolarHBondContact CD2-NZ 2.93Å; H391-K482 PolarHBondContact CE1-NZ 3.32Å; H391-K482 PolarHBondContact ND1-NZ 3.04Å; H391-K482 PolarHBondContact NE2-NZ 2.86Å; H391-K482 VanDerWaalsContact NE2-NZ 3.12Å; K482-G488 WeakPolarHBondContact CA-O 3.46Å; K482-T489 HydrophobicContact CG-CG2 4.32Å; K482-R509 PolarHBondContact O-NH2 3.46Å; K482-T512 WeakPolarHBondContact CB-O 3.42Å; K482-T512 HydrophobicContact CD-CG2 4.32Å; K482-T512 PolarHBondContact N-O 3.13Å; K482-M513 WeakPolarHBondContact CE-O 3.47Å; K482-C515 VanDerWaalsContact CE-SG 3.58Å; K482-C515 PolarHBondContact NZ-SG 2.8Å
483	I	83.4	Confident	80.1	Confident	65 Å²	65	55.9 Å²	55.9	33%	0.333	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-89.7	128.5	171.2	-47.9	177.6	0	0	0	107.6	G486 G488 I490	I483-G486 PolarHBondContact O-N 2.85Å; I483-G488 PolarHBondContact N-O 3.32Å; I483-I490 HydrophobicContact CD1-CD1 3.74Å; I483-I490 HydrophobicContact CD1-CG1 3.87Å; I483-I490 HydrophobicContact CG1-CD1 3.77Å; I483-I490 HydrophobicContact CG1-CG1 3.91Å
484	E	78.7	Confident	80	Confident	44 Å²	44	56.1 Å²	56.1	21%	0.206	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	141.1	173.4	-177.7	149.2	-137.5	0	0	111	N376 G377 G486 R509 L510	N376-E484 WeakPolarHBondContact CA-OE1 3.16Å; N376-E484 PolarHBondContact OD1-OE1 3.03Å; G377-E484 PolarHBondContact N-OE1 3.25Å; E484-G486 PolarHBondContact O-N 2.76Å; E484-R509 HydrophobicContact CB-CG 4.23Å; E484-R509 WeakPolarHBondContact OE2-CA 3.05Å; E484-L510 VanDerWaalsContact OE1-CB 3.26Å; E484-L510 WeakPolarHBondContact OE1-CB 3.36Å; E484-L510 PolarHBondContact OE2-N 3.05Å
485	S	71.7	Confident	79.8	Confident	89 Å²	89	48.7 Å²	48.7	62%	0.622	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	1.4	-168.2	-69.5	0	0	0	0	116.7
486	G	78.6	Confident	79.6	Confident	23 Å²	23	52.7 Å²	52.7	24%	0.237	31%	0.308	C	S	.	.	S	Bend	trans	-114.1	167.2	-175.8	0	0	0	0	0	114.8	I483 E484	I483-G486 PolarHBondContact O-N 2.85Å; E484-G486 PolarHBondContact O-N 2.76Å
487	E	79.5	Confident	78.9	Confident	69 Å²	69	54.2 Å²	54.2	32%	0.322	32%	0.323	S	S	.	.	S	Bend	trans	-93.6	-10.5	176	-57	174.4	-156.3	0	0	112.8	K347 A598	K347-E487 WeakPolarHBondContact CE-OE2 3.42Å; K347-E487 IonicContact NZ-OE1 2.89Å; K347-E487 PolarHBondContact NZ-OE1 3.33Å; K347-E487 IonicContact NZ-OE2 2.74Å; K347-E487 PolarHBondContact NZ-OE2 2.62Å; E487-A598 HydrophobicContact CG-CB 4.32Å; E487-A598 WeakPolarHBondContact OE1-CB 3.43Å
488	G	83.4	Confident	78.9	Confident	32 Å²	32	61.2 Å²	61.2	33%	0.33	36%	0.357	S	S	.	.			trans	-92.6	179.4	-168.3	0	0	0	0	0	115	K482 I483	K482-G488 WeakPolarHBondContact CA-O 3.46Å; I483-G488 PolarHBondContact N-O 3.32Å
489	T	87.3	Confident	78.6	Confident	20 Å²	20	58.8 Å²	58.8	12%	0.123	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	143.3	177.5	69.2	0	0	0	0	112	C450 R480 T481 K482	C450-T489 HydrophobicContact CB-CG2 4.07Å; R480-T489 PolarHBondContact NE-OG1 3.37Å; R480-T489 PolarHBondContact NH2-O 3.25Å; T481-T489 CarbonylContact O-C 3.56Å; T481-T489 WeakPolarHBondContact O-CA 3.05Å; T481-T489 WeakPolarHBondContact O-CB 3.45Å; K482-T489 HydrophobicContact CG-CG2 4.32Å
490	I	86.4	Confident	78.4	Confident	71 Å²	71	61.9 Å²	61.9	36%	0.364	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	145.1	179.4	-66.4	170.9	0	0	0	107.8	R480 T481 I483	R480-I490 CarbonylContact C-O 3.58Å; R480-I490 VanDerWaalsContact CA-O 3.24Å; R480-I490 WeakPolarHBondContact CA-O 3.48Å; R480-I490 WeakPolarHBondContact CB-O 3.3Å; T481-I490 PolarHBondContact N-O 2.87Å; T481-I490 PolarHBondContact O-N 2.91Å; I483-I490 HydrophobicContact CD1-CD1 3.74Å; I483-I490 HydrophobicContact CD1-CG1 3.87Å; I483-I490 HydrophobicContact CG1-CD1 3.77Å; I483-I490 HydrophobicContact CG1-CG1 3.91Å
491	P	86.8	Confident	78.1	Confident	42 Å²	42	63.9 Å²	63.9	27%	0.273	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	150.7	173.8	-24	34.3	0	0	0	112.8	L479	L479-P491 WeakPolarHBondContact O-CA 3.36Å
492	V	84.4	Confident	77.8	Confident	22 Å²	22	68 Å²	68	13%	0.133	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-66.8	134.5	165.5	174.7	0	0	0	0	108.4	L479 T481 M513 V690	L479-V492 HydrophobicContact CB-CB 4.4Å; L479-V492 HydrophobicContact CB-CG2 3.92Å; L479-V492 PolarHBondContact O-N 2.79Å; T481-V492 HydrophobicContact CG2-CG2 3.99Å; V492-M513 HydrophobicContact CG2-CE 4.04Å; V492-M513 HydrophobicContact CG2-SD 4.4Å; V492-V690 HydrophobicContact CG1-CG2 4.2Å; V492-V690 HydrophobicContact CG2-CG2 4.06Å
493	R	75.2	Confident	77.5	Confident	213 Å²	213	68.1 Å²	68.1	80%	0.804	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-70.1	149.5	173.6	-70.2	179.7	172.3	174.3	-3.7	109.5	G495	R493-G495 PolarHBondContact O-N 2.85Å; R493-G495 VanDerWaalsContact O-N 3.08Å
494	S	62.4	Low	77.5	Confident	135 Å²	135	65.1 Å²	65.1	94%	0.944	38%	0.382	S	S	*	.	S	Bend	trans	-65.5	-13.4	-174.8	-42.7	0	0	0	0	115.2
495	G	59.1	Low	77.6	Confident	45 Å²	45	66.4 Å²	66.4	46%	0.464	39%	0.39	S	S	.	.	S	Bend	trans	-88.4	138	172.1	0	0	0	0	0	112	R493 T497	R493-G495 PolarHBondContact O-N 2.85Å; R493-G495 VanDerWaalsContact O-N 3.08Å; G495-T497 VanDerWaalsContact C-N 3.28Å; G495-T497 PolarHBondContact O-N 3.13Å
496	S	58.3	Low	78	Confident	99 Å²	99	69.7 Å²	69.7	69%	0.692	40%	0.395	S	S	*	.			trans	-76.4	69.3	-179	57.5	0	0	0	0	112.9	I498	S496-I498 PolarHBondContact O-N 3.07Å
497	T	62.9	Low	78	Confident	81 Å²	81	71.2 Å²	71.2	50%	0.497	41%	0.411	S	S	.	.			trans	-65.8	101.9	173	54.4	0	0	0	0	110.3	G495	G495-T497 VanDerWaalsContact C-N 3.28Å; G495-T497 PolarHBondContact O-N 3.13Å
498	I	75	Confident	78.2	Confident	150 Å²	150	73.2 Å²	73.2	77%	0.769	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-70.5	132.8	166.2	-60.7	174.6	0	0	0	107.1	S496	S496-I498 PolarHBondContact O-N 3.07Å
499	Q	81.1	Confident	78	Confident	10 Å²	10	76 Å²	76	5%	0.047	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-77.2	126.4	168	-76.4	162.8	108.6	0	0	108.2	V504 L511 V690 K691 P693	Q499-V504 HydrophobicContact CB-CG2 4.21Å; Q499-V504 HydrophobicContact CG-CG2 4.2Å; Q499-L511 HydrophobicContact CG-CB 4.35Å; Q499-L511 PolarHBondContact NE2-O 3.48Å; Q499-L511 PolarHBondContact OE1-O 2.8Å; Q499-V690 VanDerWaalsContact NE2-CG1 3.33Å; Q499-K691 PolarHBondContact NE2-O 3.2Å; Q499-P693 HydrophobicContact CB-CG 4.15Å; Q499-P693 WeakPolarHBondContact O-CG 3.24Å
500	T	82.6	Confident	77.9	Confident	66 Å²	66	75.3 Å²	75.3	41%	0.405	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-87.9	168	162.6	67.6	0	0	0	0	110	D502 G503 V504 P693	T500-D502 WeakPolarHBondContact CB-OD1 3.49Å; T500-D502 PolarHBondContact OG1-OD1 2.88Å; T500-G503 PolarHBondContact OG1-N 3.25Å; T500-V504 WeakPolarHBondContact O-CG2 3.21Å; T500-P693 WeakPolarHBondContact O-CG 3.4Å
501	W	81.6	Confident	78	Confident	56 Å²	56	73.4 Å²	73.4	21%	0.212	41%	0.407	C	S	.	.	H	α-helix	trans	-80.1	-43.3	-178.6	179	-103.1	0	0	0	112.1	M380 D382 L505 P693 E695 Q696	M380-W501 HydrophobicContact CB-CH2 3.59Å; M380-W501 HydrophobicContact CB-CZ3 3.76Å; M380-W501 HydrophobicContact CE-CE3 3.79Å; M380-W501 HydrophobicContact CE-CH2 4.31Å; M380-W501 HydrophobicContact CE-CZ3 3.59Å; M380-W501 HydrophobicContact SD-CZ3 3.98Å; D382-W501 HydrophobicContact CB-CZ2 4.16Å; W501-L505 HydrophobicContact CD2-CD1 4.47Å; W501-L505 HydrophobicContact CZ2-CD1 4.13Å; W501-L505 WeakPolarHBondContact O-CG 3.3Å; W501-L505 PolarHBondContact O-N 2.85Å; W501-P693 HydrophobicContact CB-CB 4.07Å; W501-P693 HydrophobicContact CB-CG 4.36Å; W501-P693 HydrophobicContact CE3-CB 4.33Å; W501-P693 HydrophobicContact CE3-CG 4.32Å; W501-E695 HydrophobicContact CB-CB 4.44Å; W501-E695 HydrophobicContact CB-CG 4.29Å; W501-E695 HydrophobicContact CG-CB 4.41Å; W501-Q696 HydrophobicContact CE3-CB 4.45Å; W501-Q696 HydrophobicContact CH2-CG 4.25Å; W501-Q696 HydrophobicContact CZ3-CB 3.95Å; W501-Q696 HydrophobicContact CZ3-CG 3.72Å
502	D	84.6	Confident	78	Confident	91 Å²	91	71.7 Å²	71.7	49%	0.487	40%	0.396	S	S	.	.	H	α-helix	trans	-65.6	-49.5	179.3	58.6	-22.6	0	0	0	112.7	T500 V504 L505 Q506	T500-D502 WeakPolarHBondContact CB-OD1 3.49Å; T500-D502 PolarHBondContact OG1-OD1 2.88Å; D502-V504 VanDerWaalsContact C-N 3.31Å; D502-V504 PolarHBondContact O-N 3.17Å; D502-L505 CarbonylContact O-C 3.57Å; D502-L505 PolarHBondContact O-N 3.38Å; D502-L505 VanDerWaalsContact O-N 3.13Å; D502-Q506 WeakPolarHBondContact O-CB 3.18Å; D502-Q506 VanDerWaalsContact O-CG 3.29Å; D502-Q506 WeakPolarHBondContact O-CG 3.19Å; D502-Q506 PolarHBondContact O-N 2.79Å
503	G	83.6	Confident	78.3	Confident	8 Å²	8	70.9 Å²	70.9	8%	0.082	39%	0.391	C	S	.	.	H	α-helix	trans	-56.6	-44.9	179	0	0	0	0	0	112.1	T500 L505 Q506 G507 E508	T500-G503 PolarHBondContact OG1-N 3.25Å; G503-L505 PolarHBondContact O-N 3.28Å; G503-Q506 CarbonylContact O-C 3.38Å; G503-Q506 WeakPolarHBondContact O-CA 3.43Å; G503-Q506 PolarHBondContact O-N 3.1Å; G503-Q506 VanDerWaalsContact O-N 3.1Å; G503-G507 PolarHBondContact O-N 2.96Å; G503-E508 VanDerWaalsContact O-CB 3.29Å; G503-E508 WeakPolarHBondContact O-CB 3.34Å; G503-E508 WeakPolarHBondContact O-CG 3.43Å; G503-E508 PolarHBondContact O-N 3.5Å
504	V	84.3	Confident	78.9	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.012	35%	0.352	C	S	.	.	H	α-helix	trans	-69.7	-30.6	179.6	178.8	0	0	0	0	112.7	M380 Q499 T500 D502 G507 E508 L510	M380-V504 HydrophobicContact CE-CB 3.94Å; M380-V504 HydrophobicContact CE-CG1 3.44Å; M380-V504 VanDerWaalsContact CE-CG1 3.44Å; M380-V504 HydrophobicContact SD-CG1 4.48Å; Q499-V504 HydrophobicContact CB-CG2 4.21Å; Q499-V504 HydrophobicContact CG-CG2 4.2Å; T500-V504 WeakPolarHBondContact O-CG2 3.21Å; D502-V504 VanDerWaalsContact C-N 3.31Å; D502-V504 PolarHBondContact O-N 3.17Å; V504-G507 PolarHBondContact O-N 3.28Å; V504-E508 WeakPolarHBondContact CA-O 3.38Å; V504-E508 HydrophobicContact CG2-CB 4.29Å; V504-L510 HydrophobicContact CG1-CB 4.27Å; V504-L510 HydrophobicContact CG1-CD1 3.62Å
505	L	81.1	Confident	80.1	Confident	71 Å²	71	54.3 Å²	54.3	37%	0.372	31%	0.307	S	S	.	.	H	α-helix	trans	-75.3	-23.8	170.5	-71.6	178.8	0	0	0	113.1	G377 W501 D502 G503 G507	G377-L505 WeakPolarHBondContact O-CD2 3.29Å; W501-L505 HydrophobicContact CD2-CD1 4.47Å; W501-L505 HydrophobicContact CZ2-CD1 4.13Å; W501-L505 WeakPolarHBondContact O-CG 3.3Å; W501-L505 PolarHBondContact O-N 2.85Å; D502-L505 CarbonylContact O-C 3.57Å; D502-L505 PolarHBondContact O-N 3.38Å; D502-L505 VanDerWaalsContact O-N 3.13Å; G503-L505 PolarHBondContact O-N 3.28Å; L505-G507 VanDerWaalsContact C-N 3.26Å
506	Q	80.8	Confident	81.3	Confident	157 Å²	157	52.2 Å²	52.2	73%	0.734	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	3.4	172.3	-67.6	169.9	32.1	0	0	113.2	D502 G503	D502-Q506 WeakPolarHBondContact O-CB 3.18Å; D502-Q506 VanDerWaalsContact O-CG 3.29Å; D502-Q506 WeakPolarHBondContact O-CG 3.19Å; D502-Q506 PolarHBondContact O-N 2.79Å; G503-Q506 CarbonylContact O-C 3.38Å; G503-Q506 WeakPolarHBondContact O-CA 3.43Å; G503-Q506 PolarHBondContact O-N 3.1Å; G503-Q506 VanDerWaalsContact O-N 3.1Å
507	G	77.6	Confident	82.4	Confident	55 Å²	55	47.5 Å²	47.5	57%	0.567	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	102	8.3	176.4	0	0	0	0	0	115.7	G503 V504 L505 R509	G503-G507 PolarHBondContact O-N 2.96Å; V504-G507 PolarHBondContact O-N 3.28Å; L505-G507 VanDerWaalsContact C-N 3.26Å; G507-R509 PolarHBondContact O-N 2.67Å
508	E	82.8	Confident	83.1	Confident	112 Å²	112	45.3 Å²	45.3	52%	0.523	24%	0.236	S	C	.	.			trans	-61.7	133.9	164.5	-69.2	-163	145.4	0	0	110.6	G503 V504 L510	G503-E508 VanDerWaalsContact O-CB 3.29Å; G503-E508 WeakPolarHBondContact O-CB 3.34Å; G503-E508 WeakPolarHBondContact O-CG 3.43Å; G503-E508 PolarHBondContact O-N 3.5Å; V504-E508 WeakPolarHBondContact CA-O 3.38Å; V504-E508 HydrophobicContact CG2-CB 4.29Å; E508-L510 PolarHBondContact O-N 3.08Å
509	R	80.4	Confident	82.6	Confident	91 Å²	91	38.1 Å²	38.1	34%	0.343	20%	0.199	S	C	.	.			trans	-58.9	126.5	-172.9	177.3	-179.6	155.1	-153.4	-11.1	112.8	T481 K482 E484 G507 L511	T481-R509 PolarHBondContact OG1-NH2 3.07Å; K482-R509 PolarHBondContact O-NH2 3.46Å; E484-R509 HydrophobicContact CB-CG 4.23Å; E484-R509 WeakPolarHBondContact OE2-CA 3.05Å; G507-R509 PolarHBondContact O-N 2.67Å; R509-L511 HydrophobicContact CG-CD2 4.32Å; R509-L511 PolarHBondContact O-N 2.75Å
510	L	84.9	Confident	81.2	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.026	20%	0.198	C	C	.	.			trans	-67	95	178.3	-172.7	72.4	0	0	0	112.6	I375 M380 E484 V504 E508 T512 K692	I375-L510 HydrophobicContact CG2-CD2 3.38Å; I375-L510 VanDerWaalsContact O-CD2 3.23Å; I375-L510 WeakPolarHBondContact O-CD2 3.48Å; M380-L510 HydrophobicContact CE-CD1 4.05Å; M380-L510 HydrophobicContact CG-CD1 4.14Å; M380-L510 HydrophobicContact SD-CD1 3.38Å; M380-L510 WeakPolarHBondContact SD-CD1 3.31Å; E484-L510 VanDerWaalsContact OE1-CB 3.26Å; E484-L510 WeakPolarHBondContact OE1-CB 3.36Å; E484-L510 PolarHBondContact OE2-N 3.05Å; V504-L510 HydrophobicContact CG1-CB 4.27Å; V504-L510 HydrophobicContact CG1-CD1 3.62Å; E508-L510 PolarHBondContact O-N 3.08Å; L510-T512 PolarHBondContact O-N 3.34Å; L510-T512 VanDerWaalsContact O-N 3.09Å; L510-K692 HydrophobicContact CD1-CD 4.38Å
511	L	87.8	Confident	79.1	Confident	31 Å²	31	34.6 Å²	34.6	16%	0.162	18%	0.178	C	C	.	.			trans	-76.6	97.9	177.3	-60.4	-173.2	0	0	0	111.9	T481 Q499 R509 V690 K692	T481-L511 HydrophobicContact CG2-CB 4.02Å; T481-L511 HydrophobicContact CG2-CD2 4.33Å; Q499-L511 HydrophobicContact CG-CB 4.35Å; Q499-L511 PolarHBondContact NE2-O 3.48Å; Q499-L511 PolarHBondContact OE1-O 2.8Å; R509-L511 HydrophobicContact CG-CD2 4.32Å; R509-L511 PolarHBondContact O-N 2.75Å; L511-V690 HydrophobicContact CB-CG1 3.92Å; L511-V690 HydrophobicContact CD1-CG1 4.36Å; L511-K692 VanDerWaalsContact C-NZ 3.26Å; L511-K692 PolarHBondContact O-NZ 3.22Å
512	T	88.1	Confident	76.7	Confident	6 Å²	6	32.5 Å²	32.5	4%	0.037	17%	0.172	C	C	.	.			trans	-108.7	126.4	174.3	-65.8	0	0	0	0	109.6	D389 T481 K482 L510 K692	D389-T512 HydrophobicContact CB-CG2 4.42Å; T481-T512 CarbonylContact C-O 3.54Å; T481-T512 WeakPolarHBondContact CA-O 3.16Å; K482-T512 WeakPolarHBondContact CB-O 3.42Å; K482-T512 HydrophobicContact CD-CG2 4.32Å; K482-T512 PolarHBondContact N-O 3.13Å; L510-T512 PolarHBondContact O-N 3.34Å; L510-T512 VanDerWaalsContact O-N 3.09Å; T512-K692 VanDerWaalsContact OG1-CE 3.32Å; T512-K692 WeakPolarHBondContact OG1-CE 3.43Å; T512-K692 PolarHBondContact OG1-NZ 3.21Å
513	M	89.4	Confident	74.2	Confident	5 Å²	5	28.2 Å²	28.2	3%	0.025	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-58.4	147.8	-178.6	-61.5	-52.9	-63.9	0	0	113.1	L479 R480 T481 K482 V492 D517 K518 W689 V690	L479-M513 HydrophobicContact CB-CE 3.91Å; L479-M513 HydrophobicContact CD1-CE 4.18Å; L479-M513 HydrophobicContact CD2-CE 4.01Å; L479-M513 HydrophobicContact CG-CE 4.28Å; R480-M513 WeakPolarHBondContact O-CE 3.38Å; T481-M513 HydrophobicContact CG2-SD 3.8Å; K482-M513 WeakPolarHBondContact CE-O 3.47Å; V492-M513 HydrophobicContact CG2-CE 4.04Å; V492-M513 HydrophobicContact CG2-SD 4.4Å; M513-D517 HydrophobicContact CE-CB 4.36Å; M513-K518 HydrophobicContact CB-CG 4.47Å; M513-K518 WeakPolarHBondContact O-CE 3.09Å; M513-W689 HydrophobicContact CB-CH2 3.54Å; M513-W689 HydrophobicContact CB-CZ2 3.93Å; M513-W689 HydrophobicContact CB-CZ3 3.88Å; M513-W689 HydrophobicContact CE-CE3 3.81Å; M513-W689 HydrophobicContact CE-CZ3 3.82Å; M513-W689 HydrophobicContact CG-CD2 4.02Å; M513-W689 HydrophobicContact CG-CE3 3.97Å; M513-W689 HydrophobicContact CG-CH2 3.55Å; M513-W689 HydrophobicContact CG-CZ2 3.57Å; M513-W689 HydrophobicContact CG-CZ3 3.7Å; M513-W689 HydrophobicContact SD-CE3 4.44Å; M513-V690 HydrophobicContact SD-CB 3.66Å; M513-V690 HydrophobicContact SD-CG2 3.85Å
514	S	89.6	Confident	71.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.			trans	-60.6	169.1	-176	84.2	0	0	0	0	113.6	C450 R480 D517 K518	C450-S514 CarbonylContact O-C 2.9Å; C450-S514 VanDerWaalsContact O-CB 3.24Å; C450-S514 WeakPolarHBondContact O-CB 3.24Å; C450-S514 PolarHBondContact O-OG 3.43Å; R480-S514 WeakPolarHBondContact O-CB 3.24Å; R480-S514 PolarHBondContact O-N 3.34Å; S514-D517 WeakPolarHBondContact CB-OD2 3.49Å; S514-D517 VanDerWaalsContact OG-CB 3.3Å; S514-D517 WeakPolarHBondContact OG-CB 3.46Å; S514-D517 PolarHBondContact OG-N 3Å; S514-D517 PolarHBondContact OG-OD2 2.85Å; S514-K518 WeakPolarHBondContact O-CA 3.26Å; S514-K518 WeakPolarHBondContact O-CB 3.45Å; S514-K518 WeakPolarHBondContact O-CG 3.15Å; S514-K518 PolarHBondContact O-N 3.47Å
515	C	86.2	Confident	69.8	Low	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-77.4	-30.3	173.2	-76.6	0	0	0	0	114.1	H391 E393 P449 C450 K482 K518 I519	H391-C515 VanDerWaalsContact CB-SG 3.55Å; H391-C515 VanDerWaalsContact CG-SG 3.59Å; H391-C515 PolarHBondContact ND1-SG 3.44Å; H391-C515 VanDerWaalsContact ND1-SG 3.4Å; E393-C515 VanDerWaalsContact CD-SG 3.57Å; E393-C515 HydrophobicContact CG-CB 3.98Å; E393-C515 WeakPolarHBondContact OE1-CB 3.16Å; E393-C515 PolarHBondContact OE1-SG 3.48Å; P449-C515 HydrophobicContact CB-CB 3.83Å; C450-C515 CarbonylContact O-C 3.56Å; C450-C515 WeakPolarHBondContact O-CA 3.33Å; C450-C515 PolarHBondContact O-N 2.87Å; K482-C515 VanDerWaalsContact CE-SG 3.58Å; K482-C515 PolarHBondContact NZ-SG 2.8Å; C515-K518 PolarHBondContact O-N 3.47Å; C515-I519 VanDerWaalsContact O-CG1 3.3Å; C515-I519 WeakPolarHBondContact O-CG1 3.47Å; C515-I519 PolarHBondContact O-N 3.23Å
516	S	83.8	Confident	67.9	Low	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-68	-43.3	169.3	-44.4	0	0	0	0	109.6	P449 C450 G451 D452 A453 K518 I519 A520	P449-S516 PolarHBondContact O-OG 2.77Å; C450-S516 PolarHBondContact O-N 2.86Å; C450-S516 PolarHBondContact O-OG 2.61Å; G451-S516 WeakPolarHBondContact CA-OG 3.4Å; G451-S516 PolarHBondContact N-OG 2.95Å; D452-S516 PolarHBondContact N-OG 3.46Å; A453-S516 WeakPolarHBondContact CB-OG 3.36Å; A453-S516 PolarHBondContact N-OG 2.74Å; A453-S516 VanDerWaalsContact N-OG 3.1Å; S516-K518 VanDerWaalsContact C-N 3.29Å; S516-K518 PolarHBondContact O-N 2.95Å; S516-I519 CarbonylContact O-C 3.46Å; S516-I519 PolarHBondContact O-N 2.81Å; S516-A520 WeakPolarHBondContact O-CA 3.45Å; S516-A520 WeakPolarHBondContact O-CB 3.35Å; S516-A520 PolarHBondContact O-N 3.48Å
517	D	81.9	Confident	66.4	Low	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-71.9	-26.4	176.4	-54.7	-48.8	0	0	0	111.5	L479 R480 M513 S514 S521 V522 R566 W689	L479-D517 HydrophobicContact CD2-CB 3.88Å; R480-D517 WeakPolarHBondContact CA-OD2 3.39Å; R480-D517 PolarHBondContact N-OD2 3.19Å; M513-D517 HydrophobicContact CE-CB 4.36Å; S514-D517 WeakPolarHBondContact CB-OD2 3.49Å; S514-D517 VanDerWaalsContact OG-CB 3.3Å; S514-D517 WeakPolarHBondContact OG-CB 3.46Å; S514-D517 PolarHBondContact OG-N 3Å; S514-D517 PolarHBondContact OG-OD2 2.85Å; D517-S521 CarbonylContact O-C 3.53Å; D517-S521 WeakPolarHBondContact O-CA 3.37Å; D517-S521 WeakPolarHBondContact O-CB 3.11Å; D517-S521 PolarHBondContact O-N 3.19Å; D517-V522 PolarHBondContact O-N 3.33Å; D517-R566 IonicContact OD1-CZ 3.73Å; D517-R566 VanDerWaalsContact OD1-CZ 3.27Å; D517-R566 IonicContact OD1-NH1 3.95Å; D517-R566 PolarHBondContact OD1-NH1 3.48Å; D517-R566 IonicContact OD1-NH2 3.81Å; D517-R566 PolarHBondContact OD1-NH2 3.06Å; D517-W689 HydrophobicContact CB-CZ3 4.06Å
518	K	77.5	Confident	65.4	Low	35 Å²	35	17.6 Å²	17.6	15%	0.152	8%	0.078	C	C	.	.	H	α-helix	trans	-69.1	-55.1	166.2	-77.8	173.4	-177.5	-176.1	0	110.7	D389 I394 M513 S514 C515 S516 A520 V522	D389-K518 IonicContact OD2-NZ 2.73Å; D389-K518 PolarHBondContact OD2-NZ 3.12Å; I394-K518 HydrophobicContact CD1-CB 3.63Å; I394-K518 HydrophobicContact CD1-CD 3.73Å; I394-K518 HydrophobicContact CD1-CG 4.29Å; I394-K518 HydrophobicContact CG1-CD 4.21Å; M513-K518 HydrophobicContact CB-CG 4.47Å; M513-K518 WeakPolarHBondContact O-CE 3.09Å; S514-K518 WeakPolarHBondContact O-CA 3.26Å; S514-K518 WeakPolarHBondContact O-CB 3.45Å; S514-K518 WeakPolarHBondContact O-CG 3.15Å; S514-K518 PolarHBondContact O-N 3.47Å; C515-K518 PolarHBondContact O-N 3.47Å; S516-K518 VanDerWaalsContact C-N 3.29Å; S516-K518 PolarHBondContact O-N 2.95Å; K518-A520 PolarHBondContact O-N 2.88Å; K518-V522 HydrophobicContact CG-CG2 4.49Å; K518-V522 CarbonylContact O-C 3.44Å; K518-V522 WeakPolarHBondContact O-CA 3.4Å; K518-V522 WeakPolarHBondContact O-CB 3.06Å; K518-V522 VanDerWaalsContact O-CG2 3.26Å; K518-V522 WeakPolarHBondContact O-CG2 3.41Å; K518-V522 PolarHBondContact O-N 3.38Å
519	I	65.5	Low	64.6	Low	0 Å²	0	12.3 Å²	12.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-77.7	19	177	-37.1	148.4	0	0	0	111.8	E393 L443 I445 P449 C515 S516 M523 W526 M563	E393-I519 HydrophobicContact CB-CD1 4Å; E393-I519 HydrophobicContact CG-CD1 3.96Å; L443-I519 HydrophobicContact CD2-CG2 4.12Å; I445-I519 HydrophobicContact CD1-CD1 3.42Å; I445-I519 VanDerWaalsContact CD1-CD1 3.42Å; P449-I519 HydrophobicContact CB-CD1 3.55Å; P449-I519 HydrophobicContact CG-CD1 3.75Å; C515-I519 VanDerWaalsContact O-CG1 3.3Å; C515-I519 WeakPolarHBondContact O-CG1 3.47Å; C515-I519 PolarHBondContact O-N 3.23Å; S516-I519 CarbonylContact O-C 3.46Å; S516-I519 PolarHBondContact O-N 2.81Å; I519-M523 VanDerWaalsContact C-N 3.3Å; I519-M523 HydrophobicContact CG2-CE 4.15Å; I519-M523 HydrophobicContact CG2-CG 3.8Å; I519-M523 HydrophobicContact CG2-SD 3.96Å; I519-M523 WeakPolarHBondContact O-CB 3.22Å; I519-M523 WeakPolarHBondContact O-CG 3Å; I519-W526 HydrophobicContact CB-CZ3 4.26Å; I519-W526 HydrophobicContact CG1-CH2 4.31Å; I519-W526 HydrophobicContact CG1-CZ3 4.01Å; I519-W526 HydrophobicContact CG2-CE3 4.16Å; I519-W526 HydrophobicContact CG2-CZ3 3.84Å; I519-M563 HydrophobicContact CB-CE 4.16Å; I519-M563 HydrophobicContact CG2-CE 3.74Å; I519-M563 WeakPolarHBondContact O-CE 3.35Å
520	A	50.8	Low	64.4	Low	1 Å²	1	8 Å²	8	1%	0.008	4%	0.037	C	C	.	.	H	α-helix	trans	-144.6	-39.9	176.3	0	0	0	0	0	117	S516 K518 M523 K524 A562 M563	S516-A520 WeakPolarHBondContact O-CA 3.45Å; S516-A520 WeakPolarHBondContact O-CB 3.35Å; S516-A520 PolarHBondContact O-N 3.48Å; K518-A520 PolarHBondContact O-N 2.88Å; A520-M523 VanDerWaalsContact C-N 3.31Å; A520-M523 VanDerWaalsContact N-N 3.15Å; A520-M523 CarbonylContact O-C 3.54Å; A520-M523 PolarHBondContact O-N 3.1Å; A520-K524 WeakPolarHBondContact O-CB 3.42Å; A520-K524 VanDerWaalsContact O-CG 3.25Å; A520-K524 WeakPolarHBondContact O-CG 3.09Å; A520-K524 PolarHBondContact O-N 2.94Å; A520-A562 WeakPolarHBondContact CB-O 3.21Å; A520-M563 HydrophobicContact CB-SD 4.36Å
521	S	38.6	Very low	64.3	Low	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-72.5	-16.9	152.6	-172.1	0	0	0	0	110.7	D517 R525 L677 F681 W689	D517-S521 CarbonylContact O-C 3.53Å; D517-S521 WeakPolarHBondContact O-CA 3.37Å; D517-S521 WeakPolarHBondContact O-CB 3.11Å; D517-S521 PolarHBondContact O-N 3.19Å; S521-R525 WeakPolarHBondContact O-CA 3.1Å; S521-R525 WeakPolarHBondContact O-CB 3.04Å; S521-R525 PolarHBondContact O-N 3.05Å; S521-L677 WeakPolarHBondContact O-CD2 3.35Å; S521-F681 VanDerWaalsContact CB-CZ 3.42Å; S521-F681 WeakPolarHBondContact OG-CE2 3.33Å; S521-W689 WeakPolarHBondContact OG-CZ3 3.28Å
522	V	31.7	Very low	64.2	Low	13 Å²	13	6.5 Å²	6.5	8%	0.079	3%	0.029	C	C	.	.	H	α-helix	trans	-121.6	32.9	164.8	-140.9	0	0	0	0	108.7	D517 K518 R525 W526 W689	D517-V522 PolarHBondContact O-N 3.33Å; K518-V522 HydrophobicContact CG-CG2 4.49Å; K518-V522 CarbonylContact O-C 3.44Å; K518-V522 WeakPolarHBondContact O-CA 3.4Å; K518-V522 WeakPolarHBondContact O-CB 3.06Å; K518-V522 VanDerWaalsContact O-CG2 3.26Å; K518-V522 WeakPolarHBondContact O-CG2 3.41Å; K518-V522 PolarHBondContact O-N 3.38Å; V522-R525 HydrophobicContact CB-CB 4Å; V522-R525 HydrophobicContact CG1-CB 3.48Å; V522-R525 VanDerWaalsContact CG1-CB 3.48Å; V522-R525 HydrophobicContact CG1-CG 3.71Å; V522-R525 WeakPolarHBondContact CG1-O 3.48Å; V522-R525 HydrophobicContact CG2-CB 4.3Å; V522-W526 VanDerWaalsContact C-N 3.26Å; V522-W526 HydrophobicContact CB-CD2 4.37Å; V522-W526 HydrophobicContact CB-CG 4.38Å; V522-W526 HydrophobicContact CB-CZ2 4.24Å; V522-W526 HydrophobicContact CG1-CD2 4.18Å; V522-W526 HydrophobicContact CG1-CG 3.9Å; V522-W526 HydrophobicContact CG1-CZ2 4.21Å; V522-W526 WeakPolarHBondContact O-CB 3.48Å; V522-W526 PolarHBondContact O-N 2.94Å; V522-W689 HydrophobicContact CG2-CH2 4.05Å; V522-W689 HydrophobicContact CG2-CZ2 4.34Å
523	M	30.8	Very low	64.1	Low	1 Å²	1	6.6 Å²	6.6	1%	0.005	3%	0.032	C	C	.	.	H	α-helix	trans	-115.3	-3.7	133.8	-86.1	-167.8	159.6	0	0	112.2	I519 A520 W526 N527 V528 F545 I548 M563 P582	I519-M523 VanDerWaalsContact C-N 3.3Å; I519-M523 HydrophobicContact CG2-CE 4.15Å; I519-M523 HydrophobicContact CG2-CG 3.8Å; I519-M523 HydrophobicContact CG2-SD 3.96Å; I519-M523 WeakPolarHBondContact O-CB 3.22Å; I519-M523 WeakPolarHBondContact O-CG 3Å; A520-M523 VanDerWaalsContact C-N 3.31Å; A520-M523 VanDerWaalsContact N-N 3.15Å; A520-M523 CarbonylContact O-C 3.54Å; A520-M523 PolarHBondContact O-N 3.1Å; M523-W526 HydrophobicContact CG-CB 4.29Å; M523-W526 HydrophobicContact CG-CE3 4.47Å; M523-N527 HydrophobicContact CB-CB 4.32Å; M523-N527 WeakPolarHBondContact CE-OD1 3.41Å; M523-N527 WeakPolarHBondContact CG-OD1 3.22Å; M523-N527 CarbonylContact O-C 3.55Å; M523-N527 WeakPolarHBondContact O-CA 2.96Å; M523-N527 WeakPolarHBondContact O-CB 3.4Å; M523-N527 PolarHBondContact O-N 3.5Å; M523-N527 PolarHBondContact SD-ND2 2.88Å; M523-N527 PolarHBondContact SD-OD1 3.4Å; M523-V528 PolarHBondContact O-N 3.3Å; M523-F545 HydrophobicContact CE-CB 3.73Å; M523-F545 HydrophobicContact CE-CD2 3.63Å; M523-F545 HydrophobicContact CE-CG 4.07Å; M523-I548 HydrophobicContact CE-CD1 3.41Å; M523-I548 VanDerWaalsContact CE-CD1 3.41Å; M523-I548 HydrophobicContact CE-CG1 3.8Å; M523-I548 HydrophobicContact SD-CD1 3.34Å; M523-I548 WeakPolarHBondContact SD-CD1 3.48Å; M523-I548 HydrophobicContact SD-CG1 4.35Å; M523-M563 HydrophobicContact CB-CE 4.48Å; M523-M563 HydrophobicContact CG-CE 4.23Å; M523-M563 HydrophobicContact SD-CE 3.38Å; M523-M563 WeakPolarHBondContact SD-CE 3.36Å; M523-P582 HydrophobicContact CE-CG 4.39Å; M523-P582 HydrophobicContact SD-CG 4.23Å
524	K	35.8	Very low	64.1	Low	1 Å²	1	6.8 Å²	6.8	0%	0.004	3%	0.033	C	C	.	.	H	α-helix	trans	-77.2	-58.5	146.3	-61.7	-115.6	169.6	-177.5	0	105.5	A520 W526 N527 V528 V529 L567 M570 L579 L677	A520-K524 WeakPolarHBondContact O-CB 3.42Å; A520-K524 VanDerWaalsContact O-CG 3.25Å; A520-K524 WeakPolarHBondContact O-CG 3.09Å; A520-K524 PolarHBondContact O-N 2.94Å; K524-W526 PolarHBondContact O-N 2.93Å; K524-N527 PolarHBondContact O-N 3.38Å; K524-V528 HydrophobicContact CB-CG2 4.13Å; K524-V528 HydrophobicContact CD-CG2 4.28Å; K524-V528 CarbonylContact O-C 3.24Å; K524-V528 WeakPolarHBondContact O-CA 3.11Å; K524-V528 WeakPolarHBondContact O-CB 3.24Å; K524-V528 PolarHBondContact O-N 3.19Å; K524-V529 PolarHBondContact O-N 2.81Å; K524-V529 VanDerWaalsContact O-N 3.13Å; K524-L567 HydrophobicContact CD-CB 4.16Å; K524-L567 HydrophobicContact CD-CD1 3.82Å; K524-L567 HydrophobicContact CG-CD1 3.91Å; K524-L567 PolarHBondContact NZ-O 3.06Å; K524-M570 HydrophobicContact CD-SD 3.4Å; K524-M570 WeakPolarHBondContact CD-SD 3.45Å; K524-M570 PolarHBondContact NZ-SD 3.04Å; K524-M570 VanDerWaalsContact NZ-SD 3.38Å; K524-L579 HydrophobicContact CD-CD1 3.86Å; K524-L579 VanDerWaalsContact CE-CD1 3.49Å; K524-L579 HydrophobicContact CG-CD1 4.44Å; K524-L677 HydrophobicContact CB-CD1 3.25Å; K524-L677 HydrophobicContact CB-CD2 3.36Å; K524-L677 HydrophobicContact CB-CG 3.88Å; K524-L677 HydrophobicContact CD-CD1 3.84Å; K524-L677 HydrophobicContact CG-CD1 3.76Å
525	R	41.7	Very low	64.1	Low	57 Å²	57	7.3 Å²	7.3	22%	0.215	4%	0.036	C	C	.	.	H	α-helix	trans	-68	4.6	170.7	-167.1	-169.7	165.7	-172.6	-4.6	116.6	S521 V522 V529 Y670 L677	S521-R525 WeakPolarHBondContact O-CA 3.1Å; S521-R525 WeakPolarHBondContact O-CB 3.04Å; S521-R525 PolarHBondContact O-N 3.05Å; V522-R525 HydrophobicContact CB-CB 4Å; V522-R525 HydrophobicContact CG1-CB 3.48Å; V522-R525 VanDerWaalsContact CG1-CB 3.48Å; V522-R525 HydrophobicContact CG1-CG 3.71Å; V522-R525 WeakPolarHBondContact CG1-O 3.48Å; V522-R525 HydrophobicContact CG2-CB 4.3Å; R525-V529 HydrophobicContact CB-CG2 4Å; R525-V529 HydrophobicContact CG-CG2 3.33Å; R525-V529 VanDerWaalsContact O-CG2 3.24Å; R525-V529 WeakPolarHBondContact O-CG2 3.23Å; R525-Y670 PolarHBondContact NE-OH 3.29Å; R525-Y670 PolarHBondContact NH2-OH 2.87Å; R525-L677 HydrophobicContact CB-CD2 4.01Å
526	W	40.1	Very low	64.2	Low	6 Å²	6	7.3 Å²	7.3	2%	0.023	4%	0.036	C	C	.	.	H	α-helix	trans	-122.6	-29.7	159.5	-59.4	-23.9	0	0	0	116.2	I394 R397 I519 V522 M523 K524 G530 F531 Y544 F545	I394-W526 HydrophobicContact CD1-CH2 4.41Å; R397-W526 HydrophobicContact CB-CH2 4.4Å; R397-W526 VanDerWaalsContact CD-NE1 3.33Å; R397-W526 HydrophobicContact CG-CZ2 4.46Å; I519-W526 HydrophobicContact CB-CZ3 4.26Å; I519-W526 HydrophobicContact CG1-CH2 4.31Å; I519-W526 HydrophobicContact CG1-CZ3 4.01Å; I519-W526 HydrophobicContact CG2-CE3 4.16Å; I519-W526 HydrophobicContact CG2-CZ3 3.84Å; V522-W526 VanDerWaalsContact C-N 3.26Å; V522-W526 HydrophobicContact CB-CD2 4.37Å; V522-W526 HydrophobicContact CB-CG 4.38Å; V522-W526 HydrophobicContact CB-CZ2 4.24Å; V522-W526 HydrophobicContact CG1-CD2 4.18Å; V522-W526 HydrophobicContact CG1-CG 3.9Å; V522-W526 HydrophobicContact CG1-CZ2 4.21Å; V522-W526 WeakPolarHBondContact O-CB 3.48Å; V522-W526 PolarHBondContact O-N 2.94Å; M523-W526 HydrophobicContact CG-CB 4.29Å; M523-W526 HydrophobicContact CG-CE3 4.47Å; K524-W526 PolarHBondContact O-N 2.93Å; W526-G530 CarbonylContact O-C 3.52Å; W526-G530 WeakPolarHBondContact O-CA 3.4Å; W526-G530 PolarHBondContact O-N 3.23Å; W526-F531 HydrophobicContact CB-CB 3.97Å; W526-F531 HydrophobicContact CD2-CB 4.06Å; W526-F531 HydrophobicContact CG-CB 3.74Å; W526-Y544 WeakPolarHBondContact O-CD1 3.19Å; W526-Y544 WeakPolarHBondContact O-CE1 3.04Å; W526-F545 HydrophobicContact CE3-CD2 4.38Å; W526-F545 AromaticContact CE3-CE2 3.87Å; W526-F545 HydrophobicContact CE3-CE2 3.87Å; W526-F545 HydrophobicContact CZ3-CE2 4.31Å
527	N	50.2	Low	64.4	Low	2 Å²	2	7.8 Å²	7.8	1%	0.011	4%	0.039	C	C	.	.	H	α-helix	trans	-95.4	-8.1	171.6	-55	-12.5	0	0	0	113.2	M523 K524 Y544 N580 P582	M523-N527 HydrophobicContact CB-CB 4.32Å; M523-N527 WeakPolarHBondContact CE-OD1 3.41Å; M523-N527 WeakPolarHBondContact CG-OD1 3.22Å; M523-N527 CarbonylContact O-C 3.55Å; M523-N527 WeakPolarHBondContact O-CA 2.96Å; M523-N527 WeakPolarHBondContact O-CB 3.4Å; M523-N527 PolarHBondContact O-N 3.5Å; M523-N527 PolarHBondContact SD-ND2 2.88Å; M523-N527 PolarHBondContact SD-OD1 3.4Å; K524-N527 PolarHBondContact O-N 3.38Å; N527-Y544 VanDerWaalsContact C-CE1 3.42Å; N527-Y544 VanDerWaalsContact O-CE1 3.29Å; N527-Y544 WeakPolarHBondContact O-CE1 2.82Å; N527-N580 HydrophobicContact CB-CB 3.78Å; N527-N580 VanDerWaalsContact CB-O 3.23Å; N527-N580 WeakPolarHBondContact CB-O 3.4Å; N527-N580 VanDerWaalsContact CG-ND2 3.28Å; N527-N580 PolarHBondContact ND2-ND2 3.13Å; N527-N580 PolarHBondContact ND2-O 2.71Å; N527-N580 PolarHBondContact O-N 3.11Å; N527-N580 PolarHBondContact OD1-ND2 2.91Å; N527-P582 VanDerWaalsContact ND2-CD 3.29Å; N527-P582 WeakPolarHBondContact ND2-CD 3.37Å
528	V	56.1	Low	64.7	Low	3 Å²	3	7.8 Å²	7.8	2%	0.018	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-61.6	160.3	-178.9	0	0	0	0	111	M523 K524 Y544 L573 F577 S578 L579 A673	M523-V528 PolarHBondContact O-N 3.3Å; K524-V528 HydrophobicContact CB-CG2 4.13Å; K524-V528 HydrophobicContact CD-CG2 4.28Å; K524-V528 CarbonylContact O-C 3.24Å; K524-V528 WeakPolarHBondContact O-CA 3.11Å; K524-V528 WeakPolarHBondContact O-CB 3.24Å; K524-V528 PolarHBondContact O-N 3.19Å; V528-Y544 PolarHBondContact O-OH 3.09Å; V528-Y544 VanDerWaalsContact O-OH 3.05Å; V528-L573 HydrophobicContact CB-CD1 4.29Å; V528-L573 HydrophobicContact CG1-CB 4.45Å; V528-L573 HydrophobicContact CG1-CD1 3.55Å; V528-L573 HydrophobicContact CG1-CD2 3.62Å; V528-L573 HydrophobicContact CG1-CG 4.04Å; V528-L573 HydrophobicContact CG2-CD1 3.76Å; V528-F577 HydrophobicContact CG1-CB 3.9Å; V528-F577 VanDerWaalsContact O-CB 3.23Å; V528-F577 WeakPolarHBondContact O-CB 3.29Å; V528-F577 WeakPolarHBondContact O-CD1 3.26Å; V528-F577 WeakPolarHBondContact O-CG 3.43Å; V528-S578 WeakPolarHBondContact CA-O 2.93Å; V528-S578 WeakPolarHBondContact CB-O 3.44Å; V528-S578 VanDerWaalsContact CG2-O 3.22Å; V528-S578 WeakPolarHBondContact CG2-O 2.98Å; V528-L579 HydrophobicContact CG2-CD1 3.9Å; V528-A673 HydrophobicContact CG1-CB 4.33Å
529	V	65.8	Low	65.1	Low	1 Å²	1	6.2 Å²	6.2	1%	0.006	3%	0.032	C	C	.	.	S	Bend	trans	-100	14.7	-177.6	-44.4	0	0	0	0	116.8	K524 R525 Q532 F577 Y670 A673	K524-V529 PolarHBondContact O-N 2.81Å; K524-V529 VanDerWaalsContact O-N 3.13Å; R525-V529 HydrophobicContact CB-CG2 4Å; R525-V529 HydrophobicContact CG-CG2 3.33Å; R525-V529 VanDerWaalsContact O-CG2 3.24Å; R525-V529 WeakPolarHBondContact O-CG2 3.23Å; V529-Q532 PolarHBondContact O-NE2 3.46Å; V529-F577 HydrophobicContact CB-CD1 3.96Å; V529-F577 HydrophobicContact CB-CE1 3.71Å; V529-F577 HydrophobicContact CB-CG 4.5Å; V529-F577 HydrophobicContact CB-CZ 4.14Å; V529-F577 HydrophobicContact CG1-CD1 4.04Å; V529-F577 HydrophobicContact CG1-CD2 4.27Å; V529-F577 HydrophobicContact CG1-CE1 4.1Å; V529-F577 HydrophobicContact CG1-CE2 4.39Å; V529-F577 HydrophobicContact CG1-CG 4.09Å; V529-F577 HydrophobicContact CG1-CZ 4.29Å; V529-Y670 HydrophobicContact CB-CD2 3.72Å; V529-Y670 HydrophobicContact CB-CE2 3.73Å; V529-Y670 HydrophobicContact CB-CG 4.41Å; V529-Y670 HydrophobicContact CG2-CD2 3.62Å; V529-Y670 HydrophobicContact CG2-CE1 4.14Å; V529-Y670 HydrophobicContact CG2-CE2 3.15Å; V529-Y670 HydrophobicContact CG2-CG 4.26Å; V529-Y670 VanDerWaalsContact CG2-CZ 3.42Å; V529-Y670 WeakPolarHBondContact O-CE2 3.39Å; V529-A673 HydrophobicContact CG1-CB 3.31Å
530	G	76.6	Confident	66.2	Low	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.032	C	C	.	.			trans	77.7	146.7	172.2	0	0	0	0	0	114.7	W526 Q532 I543	W526-G530 CarbonylContact O-C 3.52Å; W526-G530 WeakPolarHBondContact O-CA 3.4Å; W526-G530 PolarHBondContact O-N 3.23Å; G530-Q532 PolarHBondContact O-N 2.76Å; G530-I543 CarbonylContact C-O 3.54Å; G530-I543 VanDerWaalsContact CA-O 3.29Å; G530-I543 WeakPolarHBondContact CA-O 2.8Å
531	F	82.5	Confident	67.8	Low	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.1	-178	70.9	-113.1	0	0	0	114	R397 L400 L404 F441 W526 G533 I543 F545	R397-F531 WeakPolarHBondContact CD-O 3.11Å; R397-F531 HydrophobicContact CG-CB 4.29Å; R397-F531 PolarHBondContact NH1-O 3.33Å; L400-F531 HydrophobicContact CD1-CE2 4.46Å; L400-F531 HydrophobicContact CD2-CD1 4.44Å; L400-F531 HydrophobicContact CD2-CD2 3.61Å; L400-F531 HydrophobicContact CD2-CE1 4.11Å; L400-F531 HydrophobicContact CD2-CE2 3.22Å; L400-F531 HydrophobicContact CD2-CG 4.23Å; L400-F531 HydrophobicContact CD2-CZ 3.51Å; L400-F531 HydrophobicContact CG-CD2 4.21Å; L400-F531 HydrophobicContact CG-CE2 3.59Å; L400-F531 HydrophobicContact CG-CZ 4.12Å; L404-F531 HydrophobicContact CD1-CE2 3.72Å; L404-F531 HydrophobicContact CD1-CZ 4.47Å; L404-F531 HydrophobicContact CG-CE2 4.38Å; F441-F531 HydrophobicContact CB-CE1 4.27Å; F441-F531 AromaticContact CD2-CE1 3.84Å; F441-F531 HydrophobicContact CD2-CE1 3.84Å; F441-F531 AromaticContact CD2-CZ 3.57Å; F441-F531 HydrophobicContact CD2-CZ 3.57Å; F441-F531 AromaticContact CE2-CZ 3.96Å; F441-F531 HydrophobicContact CE2-CZ 3.96Å; F441-F531 HydrophobicContact CG-CE1 4.29Å; F441-F531 HydrophobicContact CG-CZ 4.09Å; W526-F531 HydrophobicContact CB-CB 3.97Å; W526-F531 HydrophobicContact CD2-CB 4.06Å; W526-F531 HydrophobicContact CG-CB 3.74Å; F531-G533 VanDerWaalsContact C-N 3.35Å; F531-G533 PolarHBondContact O-N 2.92Å; F531-I543 HydrophobicContact CD1-CB 4.4Å; F531-I543 HydrophobicContact CD1-CG2 4.39Å; F531-I543 WeakPolarHBondContact CD1-O 3.37Å; F531-I543 HydrophobicContact CE1-CB 3.92Å; F531-I543 HydrophobicContact CE1-CG2 3.5Å; F531-I543 VanDerWaalsContact CE1-CG2 3.5Å; F531-I543 HydrophobicContact CE2-CB 4.41Å; F531-I543 HydrophobicContact CE2-CG2 4.41Å; F531-I543 HydrophobicContact CZ-CB 3.91Å; F531-I543 HydrophobicContact CZ-CG2 3.49Å; F531-I543 VanDerWaalsContact CZ-CG2 3.49Å; F531-I543 PolarHBondContact N-O 3.24Å; F531-F545 HydrophobicContact CB-CD2 4.33Å; F531-F545 HydrophobicContact CB-CE2 3.82Å; F531-F545 HydrophobicContact CB-CZ 4.43Å; F531-F545 HydrophobicContact CD1-CD1 4.42Å; F531-F545 AromaticContact CD1-CD2 3.92Å; F531-F545 HydrophobicContact CD1-CD2 3.92Å; F531-F545 HydrophobicContact CD1-CE1 4.36Å; F531-F545 AromaticContact CD1-CE2 3.86Å; F531-F545 HydrophobicContact CD1-CE2 3.86Å; F531-F545 HydrophobicContact CD1-CG 4.22Å; F531-F545 HydrophobicContact CD1-CZ 4.09Å; F531-F545 HydrophobicContact CE1-CD1 4.49Å; F531-F545 HydrophobicContact CE1-CE1 4.46Å; F531-F545 HydrophobicContact CG-CD2 4.44Å; F531-F545 AromaticContact CG-CE2 3.98Å; F531-F545 HydrophobicContact CG-CE2 3.98Å; F531-F545 HydrophobicContact CG-CZ 4.21Å
532	Q	85.1	Confident	70.1	Confident	5 Å²	5	10.2 Å²	10.2	2%	0.023	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-31.8	-178.5	82.6	-64.7	-27	0	0	113.7	L404 V529 G530 M536 T537	L404-Q532 HydrophobicContact CD1-CB 4.11Å; V529-Q532 PolarHBondContact O-NE2 3.46Å; G530-Q532 PolarHBondContact O-N 2.76Å; Q532-M536 HydrophobicContact CB-CB 3.67Å; Q532-M536 HydrophobicContact CB-CG 3.74Å; Q532-M536 HydrophobicContact CG-CB 3.7Å; Q532-M536 HydrophobicContact CG-CG 3.94Å; Q532-T537 PolarHBondContact NE2-OG1 2.86Å
533	G	87.1	Confident	72.8	Confident	9 Å²	9	9.9 Å²	9.9	9%	0.093	5%	0.05	C	C	.	.	H	α-helix	trans	82.5	176.8	-178.1	0	0	0	0	0	114.3	F531 L535 T537	F531-G533 VanDerWaalsContact C-N 3.35Å; F531-G533 PolarHBondContact O-N 2.92Å; G533-L535 PolarHBondContact O-N 2.76Å; G533-T537 PolarHBondContact O-N 2.9Å; G533-T537 PolarHBondContact O-OG1 2.95Å
534	S	88.2	Confident	75.5	Confident	8 Å²	8	12.2 Å²	12.2	6%	0.056	6%	0.059	C	C	.	.	H	α-helix	trans	-57.8	-48.4	-171.8	41.2	0	0	0	0	113	M536 T537 K664	S534-M536 PolarHBondContact O-N 2.83Å; S534-T537 VanDerWaalsContact O-CB 3.22Å; S534-T537 WeakPolarHBondContact O-CB 3.19Å; S534-T537 PolarHBondContact O-N 3.23Å; S534-T537 PolarHBondContact O-OG1 2.79Å; S534-K664 WeakPolarHBondContact OG-CG 3.45Å
535	L	89.8	Confident	78	Confident	12 Å²	12	12.2 Å²	12.2	6%	0.063	6%	0.059	C	C	.	.	H	α-helix	trans	-63	-45	-173.8	-70.3	-178.2	0	0	0	112.7	G533 T537 Y538 Y636 W639 Y660 A663 K664	G533-L535 PolarHBondContact O-N 2.76Å; L535-T537 PolarHBondContact O-N 2.86Å; L535-Y538 WeakPolarHBondContact O-CB 3.38Å; L535-Y538 WeakPolarHBondContact O-CD2 3.36Å; L535-Y538 PolarHBondContact O-N 3.43Å; L535-Y636 HydrophobicContact CD1-CD2 4.03Å; L535-W639 HydrophobicContact CB-CG 4.18Å; L535-W639 HydrophobicContact CD1-CG 4.43Å; L535-W639 HydrophobicContact CD2-CD2 4.26Å; L535-W639 HydrophobicContact CD2-CZ2 4.4Å; L535-W639 PolarHBondContact O-NE1 3.29Å; L535-Y660 HydrophobicContact CD1-CD2 4.06Å; L535-Y660 HydrophobicContact CD1-CE2 3.54Å; L535-A663 HydrophobicContact CD2-CB 3.73Å; L535-A663 WeakPolarHBondContact CD2-O 3.33Å; L535-K664 HydrophobicContact CD2-CG 4.1Å; L535-K664 HydrophobicContact CG-CG 4.2Å
536	M	89.3	Confident	80.2	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-69.9	-17.7	176.9	-169.6	82	73	0	0	112.7	I401 L404 Y405 L408 Q532 S534 Y538 F539 T540	I401-M536 HydrophobicContact CG2-CE 4.12Å; L404-M536 HydrophobicContact CB-CE 3.46Å; L404-M536 VanDerWaalsContact CB-CE 3.46Å; L404-M536 HydrophobicContact CB-SD 4.41Å; L404-M536 HydrophobicContact CD1-CE 4.19Å; L404-M536 HydrophobicContact CG-CE 4.49Å; Y405-M536 HydrophobicContact CD1-CE 3.18Å; Y405-M536 HydrophobicContact CD1-SD 3.58Å; Y405-M536 VanDerWaalsContact CD1-SD 3.58Å; Y405-M536 HydrophobicContact CD2-CE 4.19Å; Y405-M536 HydrophobicContact CE1-CE 3.26Å; Y405-M536 HydrophobicContact CE1-SD 3.51Å; Y405-M536 VanDerWaalsContact CE1-SD 3.51Å; Y405-M536 HydrophobicContact CE2-CE 4.28Å; Y405-M536 HydrophobicContact CG-CE 3.68Å; L408-M536 HydrophobicContact CD1-SD 3.65Å; Q532-M536 HydrophobicContact CB-CB 3.67Å; Q532-M536 HydrophobicContact CB-CG 3.74Å; Q532-M536 HydrophobicContact CG-CB 3.7Å; Q532-M536 HydrophobicContact CG-CG 3.94Å; S534-M536 PolarHBondContact O-N 2.83Å; M536-Y538 PolarHBondContact O-N 3.08Å; M536-Y538 VanDerWaalsContact O-N 3.15Å; M536-F539 PolarHBondContact O-N 3.19Å; M536-F539 HydrophobicContact SD-CD2 3.89Å; M536-T540 HydrophobicContact CG-CG2 3.97Å; M536-T540 PolarHBondContact O-N 2.75Å; M536-T540 HydrophobicContact SD-CG2 4.34Å
537	T	88.3	Confident	82.6	Confident	10 Å²	10	9.9 Å²	9.9	6%	0.061	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-13.9	176.7	-50	0	0	0	0	112.5	Q532 G533 S534 L535 F539 F577	Q532-T537 PolarHBondContact NE2-OG1 2.86Å; G533-T537 PolarHBondContact O-N 2.9Å; G533-T537 PolarHBondContact O-OG1 2.95Å; S534-T537 VanDerWaalsContact O-CB 3.22Å; S534-T537 WeakPolarHBondContact O-CB 3.19Å; S534-T537 PolarHBondContact O-N 3.23Å; S534-T537 PolarHBondContact O-OG1 2.79Å; L535-T537 PolarHBondContact O-N 2.86Å; T537-F539 VanDerWaalsContact C-N 3.34Å; T537-F577 HydrophobicContact CG2-CZ 4.4Å
538	Y	87.4	Confident	84.5	Confident	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-39.1	164.7	-84.6	-108.2	0	0	0	113.1	L535 M536 W639 H643 L650 R651 I652 T654 A663 A666	L535-Y538 WeakPolarHBondContact O-CB 3.38Å; L535-Y538 WeakPolarHBondContact O-CD2 3.36Å; L535-Y538 PolarHBondContact O-N 3.43Å; M536-Y538 PolarHBondContact O-N 3.08Å; M536-Y538 VanDerWaalsContact O-N 3.15Å; Y538-W639 AromaticContact CD1-CZ2 3.83Å; Y538-W639 HydrophobicContact CD1-CZ2 3.83Å; Y538-W639 AromaticContact CD2-CZ2 3.88Å; Y538-W639 HydrophobicContact CD2-CZ2 3.88Å; Y538-W639 HydrophobicContact CE1-CH2 4.34Å; Y538-W639 AromaticContact CE1-CZ2 3.85Å; Y538-W639 HydrophobicContact CE1-CZ2 3.85Å; Y538-W639 AromaticContact CE2-CZ2 3.9Å; Y538-W639 HydrophobicContact CE2-CZ2 3.9Å; Y538-W639 AromaticContact CG-CZ2 3.84Å; Y538-W639 HydrophobicContact CG-CZ2 3.84Å; Y538-W639 AromaticContact CZ-CZ2 3.88Å; Y538-H643 AromaticContact CE1-NE2 3.99Å; Y538-L650 HydrophobicContact CD1-CD1 4.37Å; Y538-R651 WeakPolarHBondContact O-CB 3.36Å; Y538-R651 WeakPolarHBondContact O-CG 3.36Å; Y538-R651 PolarHBondContact O-N 3.14Å; Y538-I652 HydrophobicContact CD1-CB 3.71Å; Y538-I652 HydrophobicContact CD1-CG2 4.08Å; Y538-I652 WeakPolarHBondContact CD1-O 3.49Å; Y538-I652 HydrophobicContact CD2-CB 4.42Å; Y538-I652 HydrophobicContact CD2-CD1 3.81Å; Y538-I652 HydrophobicContact CE1-CB 3.76Å; Y538-I652 HydrophobicContact CE1-CG2 3.57Å; Y538-I652 HydrophobicContact CE2-CB 4.47Å; Y538-I652 HydrophobicContact CE2-CD1 4.02Å; Y538-I652 HydrophobicContact CE2-CG2 4.26Å; Y538-I652 HydrophobicContact CG-CB 4.06Å; Y538-I652 HydrophobicContact CG-CD1 4.12Å; Y538-T654 WeakPolarHBondContact CE1-OG1 3.38Å; Y538-T654 PolarHBondContact OH-OG1 2.99Å; Y538-T654 VanDerWaalsContact OH-OG1 3.11Å; Y538-A663 WeakPolarHBondContact CE2-O 3.5Å; Y538-A666 WeakPolarHBondContact OH-CB 3.35Å
539	F	86.9	Confident	86.3	Confident	1 Å²	1	9.8 Å²	9.8	0%	0.004	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-44.7	-174.6	-50.3	-59.5	0	0	0	111.2	Y405 L408 G432 F433 M536 T537 W639 L642 H643 L646 L650	Y405-F539 HydrophobicContact CE1-CD2 4.4Å; Y405-F539 HydrophobicContact CE1-CE2 4.08Å; L408-F539 HydrophobicContact CD1-CB 3.72Å; L408-F539 HydrophobicContact CD1-CD2 3.9Å; L408-F539 HydrophobicContact CD1-CG 3.94Å; G432-F539 CarbonylContact C-O 3.39Å; G432-F539 WeakPolarHBondContact CA-O 3.41Å; F433-F539 HydrophobicContact CD2-CB 4.41Å; F433-F539 WeakPolarHBondContact CD2-O 3.49Å; F433-F539 PolarHBondContact N-O 3.16Å; M536-F539 PolarHBondContact O-N 3.19Å; M536-F539 HydrophobicContact SD-CD2 3.89Å; T537-F539 VanDerWaalsContact C-N 3.34Å; F539-W639 AromaticContact CE2-CD1 3.44Å; F539-W639 VanDerWaalsContact CE2-CD1 3.44Å; F539-W639 HydrophobicContact CE2-CG 4.33Å; F539-W639 AromaticContact CE2-NE1 3.63Å; F539-W639 AromaticContact CZ-CD1 3.94Å; F539-W639 AromaticContact CZ-NE1 3.87Å; F539-L642 HydrophobicContact CE1-CB 4.1Å; F539-L642 HydrophobicContact CE2-CB 3.98Å; F539-L642 HydrophobicContact CE2-CD1 4.47Å; F539-L642 HydrophobicContact CZ-CB 3.54Å; F539-H643 HydrophobicContact CZ-CB 4.43Å; F539-L646 HydrophobicContact CD1-CB 4.21Å; F539-L646 HydrophobicContact CD1-CD1 3.56Å; F539-L646 HydrophobicContact CE1-CB 4.07Å; F539-L646 HydrophobicContact CE1-CD1 3.78Å; F539-L646 HydrophobicContact CG-CD1 4.29Å; F539-L650 HydrophobicContact CD1-CD2 3.56Å; F539-L650 HydrophobicContact CE1-CD2 3.46Å; F539-L650 VanDerWaalsContact CE1-CD2 3.46Å
540	T	87.2	Confident	87.5	Confident	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.052	C	C	.	.	B	Isolated β-bridge	trans	-114.4	154.4	-168.1	76	0	0	0	0	113.6	L408 F424 F433 M536 I543	L408-T540 HydrophobicContact CD1-CG2 4.42Å; F424-T540 HydrophobicContact CD1-CG2 4.37Å; F424-T540 HydrophobicContact CE1-CG2 3.55Å; F424-T540 HydrophobicContact CZ-CG2 3.84Å; F433-T540 CarbonylContact O-C 3.43Å; F433-T540 VanDerWaalsContact O-CA 3.25Å; F433-T540 WeakPolarHBondContact O-CA 3.46Å; M536-T540 HydrophobicContact CG-CG2 3.97Å; M536-T540 PolarHBondContact O-N 2.75Å; M536-T540 HydrophobicContact SD-CG2 4.34Å; T540-I543 HydrophobicContact CG2-CD1 4.43Å
541	Q	85.8	Confident	88.1	Confident	67 Å²	67	9.8 Å²	9.8	31%	0.313	5%	0.052	S	C	.	.			trans	-59.8	165.3	156.2	-62.7	-166.4	9	0	0	111.2	C427 F433 R434 I543	C427-Q541 PolarHBondContact SG-NE2 3.44Å; F433-Q541 PolarHBondContact O-N 2.96Å; R434-Q541 HydrophobicContact CB-CG 4.32Å; Q541-I543 WeakPolarHBondContact O-CG1 3.38Å; Q541-I543 PolarHBondContact O-N 2.9Å
542	P	86.3	Confident	88.3	Confident	18 Å²	18	10.4 Å²	10.4	12%	0.117	6%	0.056	C	C	.	.			trans	-68	129.5	-178.9	-14.9	30.5	0	0	0	110.9	Y544 P576 F577	P542-Y544 HydrophobicContact CB-CE1 4.11Å; P542-P576 HydrophobicContact CG-CG 3.84Å; P542-F577 HydrophobicContact CB-CD1 3.85Å; P542-F577 HydrophobicContact CB-CE1 3.86Å; P542-F577 HydrophobicContact CG-CD1 3.38Å; P542-F577 HydrophobicContact CG-CE1 3.36Å; P542-F577 HydrophobicContact CG-CZ 4.42Å
543	I	87.8	Confident	88.3	Confident	7 Å²	7	12.9 Å²	12.9	4%	0.036	7%	0.069	C	C	.	.			trans	-107.6	131.3	-174.6	-44	-174.8	0	0	0	110.1	L404 F424 L435 F441 G530 F531 T540 Q541	L404-I543 HydrophobicContact CD1-CD1 3.83Å; L404-I543 HydrophobicContact CD2-CD1 4.29Å; F424-I543 HydrophobicContact CE1-CD1 3.97Å; F424-I543 HydrophobicContact CZ-CD1 4.39Å; L435-I543 HydrophobicContact CD2-CG2 4.05Å; F441-I543 HydrophobicContact CD2-CG2 4.14Å; F441-I543 HydrophobicContact CE2-CG2 4.15Å; G530-I543 CarbonylContact C-O 3.54Å; G530-I543 VanDerWaalsContact CA-O 3.29Å; G530-I543 WeakPolarHBondContact CA-O 2.8Å; F531-I543 HydrophobicContact CD1-CB 4.4Å; F531-I543 HydrophobicContact CD1-CG2 4.39Å; F531-I543 WeakPolarHBondContact CD1-O 3.37Å; F531-I543 HydrophobicContact CE1-CB 3.92Å; F531-I543 HydrophobicContact CE1-CG2 3.5Å; F531-I543 VanDerWaalsContact CE1-CG2 3.5Å; F531-I543 HydrophobicContact CE2-CB 4.41Å; F531-I543 HydrophobicContact CE2-CG2 4.41Å; F531-I543 HydrophobicContact CZ-CB 3.91Å; F531-I543 HydrophobicContact CZ-CG2 3.49Å; F531-I543 VanDerWaalsContact CZ-CG2 3.49Å; F531-I543 PolarHBondContact N-O 3.24Å; T540-I543 HydrophobicContact CG2-CD1 4.43Å; Q541-I543 WeakPolarHBondContact O-CG1 3.38Å; Q541-I543 PolarHBondContact O-N 2.9Å
544	Y	87	Confident	88.4	Confident	49 Å²	49	13.6 Å²	13.6	19%	0.192	7%	0.069	C	C	.	.			trans	-113.6	147.8	-171.4	-58.3	-48.8	0	0	0	111.9	W526 N527 V528 P542 N580	W526-Y544 WeakPolarHBondContact O-CD1 3.19Å; W526-Y544 WeakPolarHBondContact O-CE1 3.04Å; N527-Y544 VanDerWaalsContact C-CE1 3.42Å; N527-Y544 VanDerWaalsContact O-CE1 3.29Å; N527-Y544 WeakPolarHBondContact O-CE1 2.82Å; V528-Y544 PolarHBondContact O-OH 3.09Å; V528-Y544 VanDerWaalsContact O-OH 3.05Å; P542-Y544 HydrophobicContact CB-CE1 4.11Å; Y544-N580 HydrophobicContact CD1-CB 4.47Å; Y544-N580 HydrophobicContact CD2-CB 4.28Å; Y544-N580 HydrophobicContact CG-CB 4.12Å
545	F	88.8	Confident	88.3	Confident	1 Å²	1	14.3 Å²	14.3	0%	0.004	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	135	164.5	-70.7	-72.5	0	0	0	108.6	V352 L400 F441 L443 M523 W526 F531 N580	V352-F545 HydrophobicContact CG1-CE1 3.97Å; V352-F545 HydrophobicContact CG2-CE1 3.89Å; V352-F545 HydrophobicContact CG2-CZ 4.25Å; L400-F545 HydrophobicContact CD2-CE1 3.71Å; L400-F545 HydrophobicContact CD2-CZ 3.67Å; F441-F545 HydrophobicContact CB-CD1 3.92Å; F441-F545 HydrophobicContact CB-CE1 4.21Å; F441-F545 WeakPolarHBondContact O-CA 3.49Å; L443-F545 HydrophobicContact CB-CD1 3.89Å; L443-F545 HydrophobicContact CB-CE1 3.96Å; L443-F545 HydrophobicContact CB-CG 4.27Å; L443-F545 HydrophobicContact CB-CZ 4.37Å; L443-F545 HydrophobicContact CD2-CE2 4.34Å; L443-F545 HydrophobicContact CD2-CZ 4.49Å; M523-F545 HydrophobicContact CE-CB 3.73Å; M523-F545 HydrophobicContact CE-CD2 3.63Å; M523-F545 HydrophobicContact CE-CG 4.07Å; W526-F545 HydrophobicContact CE3-CD2 4.38Å; W526-F545 AromaticContact CE3-CE2 3.87Å; W526-F545 HydrophobicContact CE3-CE2 3.87Å; W526-F545 HydrophobicContact CZ3-CE2 4.31Å; F531-F545 HydrophobicContact CB-CD2 4.33Å; F531-F545 HydrophobicContact CB-CE2 3.82Å; F531-F545 HydrophobicContact CB-CZ 4.43Å; F531-F545 HydrophobicContact CD1-CD1 4.42Å; F531-F545 AromaticContact CD1-CD2 3.92Å; F531-F545 HydrophobicContact CD1-CD2 3.92Å; F531-F545 HydrophobicContact CD1-CE1 4.36Å; F531-F545 AromaticContact CD1-CE2 3.86Å; F531-F545 HydrophobicContact CD1-CE2 3.86Å; F531-F545 HydrophobicContact CD1-CG 4.22Å; F531-F545 HydrophobicContact CD1-CZ 4.09Å; F531-F545 HydrophobicContact CE1-CD1 4.49Å; F531-F545 HydrophobicContact CE1-CE1 4.46Å; F531-F545 HydrophobicContact CG-CD2 4.44Å; F531-F545 AromaticContact CG-CE2 3.98Å; F531-F545 HydrophobicContact CG-CE2 3.98Å; F531-F545 HydrophobicContact CG-CZ 4.21Å; F545-N580 PolarHBondContact O-ND2 2.75Å
546	S	88.6	Confident	88	Confident	14 Å²	14	14 Å²	14	10%	0.098	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-24.3	174.6	-79.4	0	0	0	0	112.8	K309 Q440 F441 L583	K309-S546 PolarHBondContact NZ-OG 2.65Å; Q440-S546 VanDerWaalsContact OE1-CB 3.22Å; Q440-S546 PolarHBondContact OE1-OG 2.92Å; F441-S546 PolarHBondContact O-N 3.22Å; S546-L583 PolarHBondContact O-N 3.17Å
547	S	89.6	Confident	87.8	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157.4	173.1	73.6	0	0	0	0	113.8	H442 L443 L583	H442-S547 WeakPolarHBondContact CB-OG 3.49Å; H442-S547 VanDerWaalsContact CG-OG 3.28Å; H442-S547 PolarHBondContact ND1-OG 3.22Å; L443-S547 PolarHBondContact N-O 2.88Å; S547-L583 CarbonylContact C-O 3.59Å; S547-L583 VanDerWaalsContact CA-O 3.29Å; S547-L583 WeakPolarHBondContact CA-O 3.38Å
548	I	91.6	Very high	87.7	Confident	3 Å²	3	18.1 Å²	18.1	2%	0.015	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.6	169.2	-43	174.5	0	0	0	108.1	L443 M523 M563 P582 L583 L584 S585	L443-I548 HydrophobicContact CD2-CG2 4.39Å; L443-I548 HydrophobicContact CG-CG2 4.49Å; L443-I548 WeakPolarHBondContact O-CA 3.39Å; M523-I548 HydrophobicContact CE-CD1 3.41Å; M523-I548 VanDerWaalsContact CE-CD1 3.41Å; M523-I548 HydrophobicContact CE-CG1 3.8Å; M523-I548 HydrophobicContact SD-CD1 3.34Å; M523-I548 WeakPolarHBondContact SD-CD1 3.48Å; M523-I548 HydrophobicContact SD-CG1 4.35Å; I548-M563 HydrophobicContact CD1-CE 3.19Å; I548-P582 HydrophobicContact CD1-CG 4.02Å; I548-P582 HydrophobicContact CG1-CG 4.17Å; I548-L583 PolarHBondContact N-O 2.73Å; I548-L584 HydrophobicContact CB-CD2 3.98Å; I548-L584 HydrophobicContact CD1-CD2 3.63Å; I548-L584 HydrophobicContact CG1-CD2 4.03Å; I548-S585 PolarHBondContact O-N 3.15Å
549	I	92.6	Very high	87.7	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.6	-170	-64.6	148.3	0	0	0	108.6	A321 V324 L443 Y444 I445 S585 I587	A321-I549 HydrophobicContact CB-CD1 4.48Å; A321-I549 HydrophobicContact CB-CG1 4.03Å; A321-I549 HydrophobicContact CB-CG2 3.78Å; V324-I549 HydrophobicContact CB-CD1 3.74Å; V324-I549 HydrophobicContact CG1-CD1 3.66Å; V324-I549 HydrophobicContact CG2-CD1 4.12Å; L443-I549 PolarHBondContact O-N 3.04Å; Y444-I549 HydrophobicContact CD2-CB 4.33Å; Y444-I549 HydrophobicContact CD2-CG2 3.96Å; Y444-I549 WeakPolarHBondContact CD2-O 3.21Å; Y444-I549 HydrophobicContact CE2-CG2 4.46Å; I445-I549 PolarHBondContact N-O 3.28Å; I549-S585 WeakPolarHBondContact CA-O 3.37Å; I549-I587 HydrophobicContact CG2-CG2 3.5Å
550	L	92.3	Very high	87.6	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.3	-176.8	-63.4	-171.1	0	0	0	112.4	I445 S552 Y554 L559 S585 I587	I445-L550 HydrophobicContact CB-CD2 4.07Å; I445-L550 HydrophobicContact CD1-CD2 4.43Å; I445-L550 CarbonylContact O-C 3.51Å; I445-L550 WeakPolarHBondContact O-CA 3.25Å; L550-S552 VanDerWaalsContact C-N 3.27Å; L550-S552 PolarHBondContact O-N 2.88Å; L550-Y554 HydrophobicContact CB-CD2 4.24Å; L550-Y554 HydrophobicContact CD1-CD2 4.1Å; L550-Y554 HydrophobicContact CG-CD2 4.36Å; L550-L559 HydrophobicContact CD1-CD1 4Å; L550-L559 HydrophobicContact CD1-CD2 3.68Å; L550-L559 HydrophobicContact CD1-CG 4.45Å; L550-L559 HydrophobicContact CG-CD2 4.18Å; L550-S585 PolarHBondContact N-O 2.9Å; L550-I587 PolarHBondContact O-N 3.03Å; L550-I587 VanDerWaalsContact O-N 3.15Å
551	G	88	Confident	87.5	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	-67.3	-23.4	175.5	0	0	0	0	0	114.1	I445 S446 T590 E591	I445-G551 PolarHBondContact O-N 3.02Å; S446-G551 CarbonylContact O-C 3.56Å; S446-G551 WeakPolarHBondContact O-CA 3.44Å; G551-T590 CarbonylContact O-C 3.57Å; G551-T590 WeakPolarHBondContact O-CA 3.38Å; G551-E591 PolarHBondContact O-N 2.66Å
552	S	87.8	Confident	87.5	Confident	14 Å²	14	17.3 Å²	17.3	10%	0.098	9%	0.087	C	C	.	.	S	Bend	trans	-164.7	164.9	176.8	61.8	0	0	0	0	111.8	S446 T447 S448 L550 Y554	S446-S552 PolarHBondContact O-N 3.41Å; S446-S552 PolarHBondContact O-OG 3.13Å; T447-S552 CarbonylContact C-O 3.5Å; T447-S552 VanDerWaalsContact CA-O 3.29Å; T447-S552 WeakPolarHBondContact CA-O 3.35Å; T447-S552 WeakPolarHBondContact CA-OG 3.39Å; T447-S552 WeakPolarHBondContact CB-OG 3.46Å; S448-S552 PolarHBondContact N-O 3.26Å; L550-S552 VanDerWaalsContact C-N 3.27Å; L550-S552 PolarHBondContact O-N 2.88Å; S552-Y554 PolarHBondContact O-N 3.3Å
553	L	85.1	Confident	87.2	Confident	57 Å²	57	16.7 Å²	16.7	30%	0.298	8%	0.082	S	C	.	.			trans	54.7	31.4	-175.7	-55.2	-178.7	0	0	0	113.8	S448 R454 F456 P458	S448-L553 VanDerWaalsContact CB-O 3.29Å; S448-L553 WeakPolarHBondContact CB-O 3.22Å; R454-L553 HydrophobicContact CG-CD1 4.01Å; F456-L553 WeakPolarHBondContact CZ-O 3.42Å; P458-L553 HydrophobicContact CB-CD2 4.09Å; P458-L553 HydrophobicContact CG-CD2 3.68Å
554	Y	88.4	Confident	86.8	Confident	23 Å²	23	17.2 Å²	17.2	9%	0.09	8%	0.084	C	C	.	.			trans	-66.4	135.7	167.9	-178.7	-90.9	0	0	0	110.3	Q305 L550 S552 A556 L559 L584 S585	Q305-Y554 WeakPolarHBondContact O-CE1 3.44Å; Q305-Y554 PolarHBondContact O-OH 2.7Å; L550-Y554 HydrophobicContact CB-CD2 4.24Å; L550-Y554 HydrophobicContact CD1-CD2 4.1Å; L550-Y554 HydrophobicContact CG-CD2 4.36Å; S552-Y554 PolarHBondContact O-N 3.3Å; Y554-A556 HydrophobicContact CE1-CB 4.29Å; Y554-L559 HydrophobicContact CD2-CD2 3.91Å; Y554-L559 HydrophobicContact CE2-CD2 3.7Å; Y554-L584 HydrophobicContact CE2-CB 4.46Å; Y554-L584 PolarHBondContact OH-O 3.45Å; Y554-S585 WeakPolarHBondContact CD2-O 3.34Å
555	H	85.6	Confident	86.5	Confident	23 Å²	23	19.2 Å²	19.2	11%	0.106	10%	0.095	C	C	.	.			trans	-152.2	120.3	166.9	-168.1	-64.7	0	0	0	107.4	S303 F456 D557 H558 L559	S303-H555 WeakPolarHBondContact CB-CE1 3.42Å; S303-H555 WeakPolarHBondContact CB-ND1 3.19Å; S303-H555 WeakPolarHBondContact CB-NE2 3.31Å; S303-H555 CarbonylContact O-C 3.46Å; S303-H555 VanDerWaalsContact O-CA 3.24Å; S303-H555 WeakPolarHBondContact O-CA 3.09Å; F456-H555 HydrophobicContact CD2-CB 4.39Å; F456-H555 AromaticContact CD2-CD2 3.87Å; F456-H555 HydrophobicContact CE1-CB 4.13Å; F456-H555 HydrophobicContact CE2-CB 3.77Å; F456-H555 AromaticContact CE2-CD2 3.76Å; F456-H555 HydrophobicContact CZ-CB 3.62Å; H555-D557 IonicContact CE1-OD2 2.94Å; H555-D557 PolarHBondContact CE1-OD2 2.73Å; H555-D557 IonicContact ND1-OD2 2.7Å; H555-D557 PolarHBondContact ND1-OD2 3.45Å; H555-D557 VanDerWaalsContact ND1-OD2 3.08Å; H555-D557 PolarHBondContact O-N 2.89Å; H555-H558 HydrophobicContact CB-CB 4.35Å; H555-H558 AromaticContact CD2-CD2 3.65Å; H555-H558 AromaticContact CE1-CD2 3.45Å; H555-H558 PolarHBondContact CE1-CD2 2.9Å; H555-H558 VanDerWaalsContact CE1-CD2 3.45Å; H555-H558 AromaticContact CE1-NE2 3.76Å; H555-H558 AromaticContact CG-CD2 3.46Å; H555-H558 VanDerWaalsContact CG-CD2 3.46Å; H555-H558 AromaticContact ND1-CD2 3.34Å; H555-H558 PolarHBondContact ND1-CD2 3.03Å; H555-H558 VanDerWaalsContact ND1-CD2 3.34Å; H555-H558 AromaticContact NE2-CD2 3.67Å; H555-H558 AromaticContact NE2-NE2 3.86Å; H555-H558 PolarHBondContact O-N 3.36Å; H555-L559 VanDerWaalsContact O-CB 3.28Å; H555-L559 WeakPolarHBondContact O-CB 3.35Å; H555-L559 PolarHBondContact O-N 2.82Å
556	A	84.6	Confident	86.1	Confident	7 Å²	7	20.5 Å²	20.5	6%	0.058	10%	0.1	C	C	.	.	H	α-helix	trans	-48.9	-59.2	-172.9	0	0	0	0	0	111.1	S303 I307 Y554 H558 L559 S560	S303-A556 PolarHBondContact O-N 2.86Å; I307-A556 HydrophobicContact CD1-CB 3.96Å; I307-A556 HydrophobicContact CG1-CB 4.13Å; Y554-A556 HydrophobicContact CE1-CB 4.29Å; A556-H558 PolarHBondContact O-N 3.27Å; A556-L559 CarbonylContact O-C 3.21Å; A556-L559 PolarHBondContact O-N 2.95Å; A556-L559 VanDerWaalsContact O-N 3.15Å; A556-S560 WeakPolarHBondContact O-CB 3.31Å; A556-S560 PolarHBondContact O-N 3.42Å; A556-S560 PolarHBondContact O-OG 2.91Å; A556-S560 VanDerWaalsContact O-OG 3.09Å
557	D	84.4	Confident	85.3	Confident	75 Å²	75	20.2 Å²	20.2	40%	0.401	10%	0.097	S	C	.	.	H	α-helix	trans	-69.7	-36.1	-171.7	-35.8	-82.9	0	0	0	113.6	H555 L559 S560 R561	H555-D557 IonicContact CE1-OD2 2.94Å; H555-D557 PolarHBondContact CE1-OD2 2.73Å; H555-D557 IonicContact ND1-OD2 2.7Å; H555-D557 PolarHBondContact ND1-OD2 3.45Å; H555-D557 VanDerWaalsContact ND1-OD2 3.08Å; H555-D557 PolarHBondContact O-N 2.89Å; D557-L559 VanDerWaalsContact C-N 3.33Å; D557-S560 WeakPolarHBondContact CA-OG 3.22Å; D557-S560 PolarHBondContact O-OG 3.31Å; D557-R561 WeakPolarHBondContact O-CB 3.43Å; D557-R561 PolarHBondContact O-N 2.91Å; D557-R561 VanDerWaalsContact O-N 3.14Å; D557-R561 PolarHBondContact O-NH1 2.93Å
558	H	85.4	Confident	84.2	Confident	20 Å²	20	24.7 Å²	24.7	9%	0.093	12%	0.124	C	C	.	.	H	α-helix	trans	-75.7	-25.4	175.1	-60.3	-68.3	0	0	0	112.4	F456 H555 A556 R561 A562	F456-H558 WeakPolarHBondContact CB-CD2 3.48Å; F456-H558 WeakPolarHBondContact CB-NE2 3.37Å; F456-H558 HydrophobicContact CD1-CB 3.85Å; F456-H558 AromaticContact CD1-CD2 3.78Å; F456-H558 AromaticContact CD1-CG 3.87Å; F456-H558 AromaticContact CD2-CD2 3.79Å; F456-H558 HydrophobicContact CE1-CB 4.31Å; F456-H558 HydrophobicContact CG-CB 4.35Å; F456-H558 AromaticContact CG-CD2 3.37Å; F456-H558 WeakPolarHBondContact CG-CD2 3.46Å; F456-H558 AromaticContact CG-CG 3.86Å; F456-H558 AromaticContact CG-NE2 3.84Å; H555-H558 HydrophobicContact CB-CB 4.35Å; H555-H558 AromaticContact CD2-CD2 3.65Å; H555-H558 AromaticContact CE1-CD2 3.45Å; H555-H558 PolarHBondContact CE1-CD2 2.9Å; H555-H558 VanDerWaalsContact CE1-CD2 3.45Å; H555-H558 AromaticContact CE1-NE2 3.76Å; H555-H558 AromaticContact CG-CD2 3.46Å; H555-H558 VanDerWaalsContact CG-CD2 3.46Å; H555-H558 AromaticContact ND1-CD2 3.34Å; H555-H558 PolarHBondContact ND1-CD2 3.03Å; H555-H558 VanDerWaalsContact ND1-CD2 3.34Å; H555-H558 AromaticContact NE2-CD2 3.67Å; H555-H558 AromaticContact NE2-NE2 3.86Å; H555-H558 PolarHBondContact O-N 3.36Å; A556-H558 PolarHBondContact O-N 3.27Å; H558-R561 PolarHBondContact ND1-NH1 2.85Å; H558-R561 PolarHBondContact ND1-NH2 3.45Å; H558-A562 WeakPolarHBondContact O-CB 3.24Å; H558-A562 PolarHBondContact O-N 2.91Å
559	L	86.9	Confident	82.9	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-79.1	-58.3	171.9	-165.6	61.3	0	0	0	110.5	A453 L550 Y554 H555 A556 D557 R561 A562 M563 L584	A453-L559 HydrophobicContact CB-CD1 4.03Å; L550-L559 HydrophobicContact CD1-CD1 4Å; L550-L559 HydrophobicContact CD1-CD2 3.68Å; L550-L559 HydrophobicContact CD1-CG 4.45Å; L550-L559 HydrophobicContact CG-CD2 4.18Å; Y554-L559 HydrophobicContact CD2-CD2 3.91Å; Y554-L559 HydrophobicContact CE2-CD2 3.7Å; H555-L559 VanDerWaalsContact O-CB 3.28Å; H555-L559 WeakPolarHBondContact O-CB 3.35Å; H555-L559 PolarHBondContact O-N 2.82Å; A556-L559 CarbonylContact O-C 3.21Å; A556-L559 PolarHBondContact O-N 2.95Å; A556-L559 VanDerWaalsContact O-N 3.15Å; D557-L559 VanDerWaalsContact C-N 3.33Å; L559-R561 VanDerWaalsContact C-N 3.3Å; L559-R561 PolarHBondContact O-N 3.43Å; L559-A562 PolarHBondContact O-N 2.85Å; L559-M563 HydrophobicContact CD1-CG 3.62Å; L559-M563 HydrophobicContact CD1-SD 4Å; L559-M563 HydrophobicContact CG-CG 3.86Å; L559-M563 VanDerWaalsContact O-CB 3.24Å; L559-M563 WeakPolarHBondContact O-CB 3.41Å; L559-M563 WeakPolarHBondContact O-CG 3.3Å; L559-M563 PolarHBondContact O-N 3.17Å; L559-L584 HydrophobicContact CB-CD1 4.47Å; L559-L584 HydrophobicContact CD2-CB 3.99Å; L559-L584 HydrophobicContact CD2-CD1 4.27Å; L559-L584 HydrophobicContact CD2-CD2 4.09Å; L559-L584 HydrophobicContact CD2-CG 4.34Å; L559-L584 HydrophobicContact CG-CD1 4.03Å; L559-L584 HydrophobicContact CG-CD2 4.29Å
560	S	86.1	Confident	81.6	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-52.6	-44.2	179.8	60.5	0	0	0	0	113.1	A556 D557 M563 Y564 Q565	A556-S560 WeakPolarHBondContact O-CB 3.31Å; A556-S560 PolarHBondContact O-N 3.42Å; A556-S560 PolarHBondContact O-OG 2.91Å; A556-S560 VanDerWaalsContact O-OG 3.09Å; D557-S560 WeakPolarHBondContact CA-OG 3.22Å; D557-S560 PolarHBondContact O-OG 3.31Å; S560-M563 PolarHBondContact O-N 2.76Å; S560-Y564 PolarHBondContact O-N 3.31Å; S560-Q565 VanDerWaalsContact CB-OE1 3.27Å; S560-Q565 PolarHBondContact O-N 3.41Å; S560-Q565 VanDerWaalsContact OG-CD 3.3Å; S560-Q565 PolarHBondContact OG-OE1 3.49Å
561	R	85.6	Confident	80.3	Confident	47 Å²	47	39.3 Å²	39.3	18%	0.177	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-53.3	173.6	-178	-165	63.9	-94.4	-9.9	111.2	D452 D557 H558 L559 M563 R566	D452-R561 PolarHBondContact O-NH2 3.09Å; D452-R561 IonicContact OD1-CZ 3.01Å; D452-R561 IonicContact OD1-NE 3.92Å; D452-R561 IonicContact OD1-NH2 2.58Å; D452-R561 PolarHBondContact OD1-NH2 2.78Å; D452-R561 IonicContact OD2-CZ 2.66Å; D452-R561 IonicContact OD2-NE 3.01Å; D452-R561 PolarHBondContact OD2-NE 3.28Å; D452-R561 IonicContact OD2-NH2 3.08Å; D452-R561 PolarHBondContact OD2-NH2 3.07Å; D557-R561 WeakPolarHBondContact O-CB 3.43Å; D557-R561 PolarHBondContact O-N 2.91Å; D557-R561 VanDerWaalsContact O-N 3.14Å; D557-R561 PolarHBondContact O-NH1 2.93Å; H558-R561 PolarHBondContact ND1-NH1 2.85Å; H558-R561 PolarHBondContact ND1-NH2 3.45Å; L559-R561 VanDerWaalsContact C-N 3.3Å; L559-R561 PolarHBondContact O-N 3.43Å; R561-M563 PolarHBondContact O-N 3.43Å; R561-R566 HydrophobicContact CG-CB 4.03Å; R561-R566 WeakPolarHBondContact O-CB 3.2Å; R561-R566 WeakPolarHBondContact O-CD 3.42Å; R561-R566 WeakPolarHBondContact O-CG 3.38Å; R561-R566 PolarHBondContact O-N 3.22Å
562	A	84.4	Confident	79.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.9	-38.3	-177.7	0	0	0	0	0	111.5	D452 A453 A520 H558 L559 R566	D452-A562 HydrophobicContact CB-CB 3.93Å; D452-A562 WeakPolarHBondContact OD2-CA 3.47Å; D452-A562 WeakPolarHBondContact OD2-CB 3.24Å; A453-A562 HydrophobicContact CB-CB 3.68Å; A520-A562 WeakPolarHBondContact CB-O 3.21Å; H558-A562 WeakPolarHBondContact O-CB 3.24Å; H558-A562 PolarHBondContact O-N 2.91Å; L559-A562 PolarHBondContact O-N 2.85Å; A562-R566 VanDerWaalsContact O-CZ 3.27Å; A562-R566 PolarHBondContact O-NE 2.92Å; A562-R566 PolarHBondContact O-NH2 3.07Å
563	M	80.8	Confident	79	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.02	24%	0.238	C	C	.	.	H	α-helix	trans	-85.8	-41.9	-168.7	-62.1	-61.3	-62.8	0	0	114.1	I519 A520 M523 I548 L559 S560 R561	I519-M563 HydrophobicContact CB-CE 4.16Å; I519-M563 HydrophobicContact CG2-CE 3.74Å; I519-M563 WeakPolarHBondContact O-CE 3.35Å; A520-M563 HydrophobicContact CB-SD 4.36Å; M523-M563 HydrophobicContact CB-CE 4.48Å; M523-M563 HydrophobicContact CG-CE 4.23Å; M523-M563 HydrophobicContact SD-CE 3.38Å; M523-M563 WeakPolarHBondContact SD-CE 3.36Å; I548-M563 HydrophobicContact CD1-CE 3.19Å; L559-M563 HydrophobicContact CD1-CG 3.62Å; L559-M563 HydrophobicContact CD1-SD 4Å; L559-M563 HydrophobicContact CG-CG 3.86Å; L559-M563 VanDerWaalsContact O-CB 3.24Å; L559-M563 WeakPolarHBondContact O-CB 3.41Å; L559-M563 WeakPolarHBondContact O-CG 3.3Å; L559-M563 PolarHBondContact O-N 3.17Å; S560-M563 PolarHBondContact O-N 2.76Å; R561-M563 PolarHBondContact O-N 3.43Å
564	Y	78.9	Confident	78.6	Confident	19 Å²	19	45.8 Å²	45.8	8%	0.075	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.2	-36.1	179.1	55	-101	0	0	0	116.5	S560 R566 L567 K581 L584	S560-Y564 PolarHBondContact O-N 3.31Å; Y564-R566 PolarHBondContact O-N 3.47Å; Y564-L567 PolarHBondContact O-N 3.23Å; Y564-K581 HydrophobicContact CD2-CD 3.88Å; Y564-K581 HydrophobicContact CD2-CG 4.39Å; Y564-K581 HydrophobicContact CE1-CB 4.42Å; Y564-K581 HydrophobicContact CE2-CD 3.78Å; Y564-K581 HydrophobicContact CG-CD 4.47Å; Y564-K581 HydrophobicContact CG-CG 4.49Å; Y564-L584 HydrophobicContact CE1-CD1 3.7Å; Y564-L584 HydrophobicContact CE1-CG 4.46Å
565	Q	81.5	Confident	78	Confident	91 Å²	91	49.8 Å²	49.8	43%	0.425	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-70.1	-26.3	-167.6	-53.4	166.8	-50.4	0	0	114	S560 L567 T568	S560-Q565 VanDerWaalsContact CB-OE1 3.27Å; S560-Q565 PolarHBondContact O-N 3.41Å; S560-Q565 VanDerWaalsContact OG-CD 3.3Å; S560-Q565 PolarHBondContact OG-OE1 3.49Å; Q565-L567 PolarHBondContact O-N 3.08Å; Q565-T568 WeakPolarHBondContact CA-OG1 3.49Å; Q565-T568 PolarHBondContact O-N 3.19Å; Q565-T568 PolarHBondContact O-OG1 3Å
566	R	79.9	Confident	77.5	Confident	27 Å²	27	51.3 Å²	51.3	10%	0.102	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-66.8	4.9	179.7	69.4	-175.5	162.6	145.6	-9.8	115.4	G477 D517 R561 A562 Y564 L686	G477-R566 WeakPolarHBondContact O-CD 2.93Å; G477-R566 PolarHBondContact O-NH1 3.06Å; D517-R566 IonicContact OD1-CZ 3.73Å; D517-R566 VanDerWaalsContact OD1-CZ 3.27Å; D517-R566 IonicContact OD1-NH1 3.95Å; D517-R566 PolarHBondContact OD1-NH1 3.48Å; D517-R566 IonicContact OD1-NH2 3.81Å; D517-R566 PolarHBondContact OD1-NH2 3.06Å; R561-R566 HydrophobicContact CG-CB 4.03Å; R561-R566 WeakPolarHBondContact O-CB 3.2Å; R561-R566 WeakPolarHBondContact O-CD 3.42Å; R561-R566 WeakPolarHBondContact O-CG 3.38Å; R561-R566 PolarHBondContact O-N 3.22Å; A562-R566 VanDerWaalsContact O-CZ 3.27Å; A562-R566 PolarHBondContact O-NE 2.92Å; A562-R566 PolarHBondContact O-NH2 3.07Å; Y564-R566 PolarHBondContact O-N 3.47Å; R566-L686 HydrophobicContact CB-CD1 4.13Å; R566-L686 HydrophobicContact CG-CD1 3.99Å; R566-L686 WeakPolarHBondContact O-CD1 3.25Å
567	L	72	Confident	77.4	Confident	8 Å²	8	51.4 Å²	51.4	4%	0.042	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-148.4	34.7	-175.4	-67.8	164.2	0	0	0	109.9	K524 Y564 Q565 E569 M570 L677 A680 F681 A684 L686	K524-L567 HydrophobicContact CD-CB 4.16Å; K524-L567 HydrophobicContact CD-CD1 3.82Å; K524-L567 HydrophobicContact CG-CD1 3.91Å; K524-L567 PolarHBondContact NZ-O 3.06Å; Y564-L567 PolarHBondContact O-N 3.23Å; Q565-L567 PolarHBondContact O-N 3.08Å; L567-E569 VanDerWaalsContact C-N 3.31Å; L567-M570 HydrophobicContact CB-CG 4.5Å; L567-M570 HydrophobicContact CB-SD 4.31Å; L567-M570 WeakPolarHBondContact O-CG 3.37Å; L567-L677 HydrophobicContact CD1-CD1 3.95Å; L567-A680 HydrophobicContact CD2-CB 3.97Å; L567-F681 HydrophobicContact CD1-CD1 4.25Å; L567-F681 HydrophobicContact CD1-CD2 4.16Å; L567-F681 HydrophobicContact CD1-CE1 3.77Å; L567-F681 HydrophobicContact CD1-CE2 3.65Å; L567-F681 HydrophobicContact CD1-CG 4.44Å; L567-F681 HydrophobicContact CD1-CZ 3.46Å; L567-F681 VanDerWaalsContact CD1-CZ 3.46Å; L567-F681 HydrophobicContact CD2-CD1 4.08Å; L567-F681 HydrophobicContact CD2-CD2 4.41Å; L567-F681 HydrophobicContact CD2-CE1 4.39Å; L567-F681 HydrophobicContact CD2-CG 4.1Å; L567-F681 HydrophobicContact CG-CE1 4.39Å; L567-A684 HydrophobicContact CD2-CB 4.31Å; L567-L686 HydrophobicContact CD2-CD1 4.18Å; L567-L686 HydrophobicContact CG-CD1 4.46Å
568	T	66.9	Low	77.1	Confident	94 Å²	94	50.7 Å²	50.7	58%	0.577	28%	0.275	S	S	*	.			trans	-68.2	-34.6	-175.5	-53.6	0	0	0	0	111.6	Q565 M570	Q565-T568 WeakPolarHBondContact CA-OG1 3.49Å; Q565-T568 PolarHBondContact O-N 3.19Å; Q565-T568 PolarHBondContact O-OG1 3Å; T568-M570 VanDerWaalsContact C-N 3.34Å; T568-M570 PolarHBondContact O-N 3.19Å
569	E	64.3	Low	76.7	Confident	195 Å²	195	52 Å²	52	91%	0.911	28%	0.282	S	S	*	.	S	Bend	trans	-78.3	73.6	175.3	-63.8	166.9	-166.3	0	0	111	L567	L567-E569 VanDerWaalsContact C-N 3.31Å
570	M	64.6	Low	76.4	Confident	40 Å²	40	52.9 Å²	52.9	20%	0.197	29%	0.287	C	S	.	.			trans	-111.6	140.5	177.8	-87	-171.7	71.3	0	0	113.2	K524 L567 T568 L573 T676 L677 A680	K524-M570 HydrophobicContact CD-SD 3.4Å; K524-M570 WeakPolarHBondContact CD-SD 3.45Å; K524-M570 PolarHBondContact NZ-SD 3.04Å; K524-M570 VanDerWaalsContact NZ-SD 3.38Å; L567-M570 HydrophobicContact CB-CG 4.5Å; L567-M570 HydrophobicContact CB-SD 4.31Å; L567-M570 WeakPolarHBondContact O-CG 3.37Å; T568-M570 VanDerWaalsContact C-N 3.34Å; T568-M570 PolarHBondContact O-N 3.19Å; M570-L573 HydrophobicContact CE-CD2 3.93Å; M570-T676 HydrophobicContact CE-CG2 4.36Å; M570-L677 HydrophobicContact CE-CB 4.35Å; M570-L677 HydrophobicContact CE-CD1 4.2Å; M570-L677 HydrophobicContact SD-CD1 4.21Å; M570-A680 HydrophobicContact CE-CB 4.02Å; M570-A680 HydrophobicContact CG-CB 3.6Å; M570-A680 HydrophobicContact SD-CB 3.96Å
571	E	65.1	Low	76.3	Confident	77 Å²	77	55.4 Å²	55.4	36%	0.36	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-49.6	148	164.7	-68.6	166	-158.9	0	0	111.7	L573 T676 R679 Q683	E571-L573 PolarHBondContact O-N 3.19Å; E571-T676 HydrophobicContact CB-CG2 3.79Å; E571-R679 IonicContact OE2-CZ 3.74Å; E571-R679 IonicContact OE2-NH1 2.77Å; E571-R679 PolarHBondContact OE2-NH1 3.07Å; E571-Q683 PolarHBondContact OE1-NE2 3.13Å
572	V	73.7	Confident	76.4	Confident	145 Å²	145	53.2 Å²	53.2	88%	0.879	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-55.5	131.9	-179.8	-179.3	0	0	0	0	110.8
573	L	76	Confident	76.7	Confident	28 Å²	28	53.4 Å²	53.4	15%	0.147	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-90.3	139.5	-175.3	-67.5	164	0	0	0	110.6	V528 M570 E571 F577 T676	V528-L573 HydrophobicContact CB-CD1 4.29Å; V528-L573 HydrophobicContact CG1-CB 4.45Å; V528-L573 HydrophobicContact CG1-CD1 3.55Å; V528-L573 HydrophobicContact CG1-CD2 3.62Å; V528-L573 HydrophobicContact CG1-CG 4.04Å; V528-L573 HydrophobicContact CG2-CD1 3.76Å; M570-L573 HydrophobicContact CE-CD2 3.93Å; E571-L573 PolarHBondContact O-N 3.19Å; L573-F577 WeakPolarHBondContact CB-O 3.38Å; L573-T676 HydrophobicContact CD2-CG2 4.28Å
574	P	76.7	Confident	77.1	Confident	34 Å²	34	53.2 Å²	53.2	22%	0.221	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-68	128.2	-179.3	24.8	-30.9	0	0	0	110.5	F577 A673	P574-F577 HydrophobicContact CG-CD2 4.27Å; P574-F577 VanDerWaalsContact O-CB 3.31Å; P574-F577 WeakPolarHBondContact O-CB 3.26Å; P574-F577 VanDerWaalsContact O-CD2 3.3Å; P574-F577 WeakPolarHBondContact O-CD2 3.32Å; P574-F577 PolarHBondContact O-N 2.9Å; P574-A673 HydrophobicContact CG-CB 3.87Å
575	P	74.4	Confident	77.7	Confident	107 Å²	107	52.3 Å²	52.3	70%	0.695	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	144.6	176.5	-26.8	35.2	0	0	0	112.2
576	P	76.4	Confident	78	Confident	55 Å²	55	48.4 Å²	48.4	36%	0.357	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	cis	-92	25.3	4.1	37.6	-36.2	0	0	0	114.1	P542	P542-P576 HydrophobicContact CG-CG 3.84Å
577	F	80.6	Confident	78.3	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.035	27%	0.268	C	S	.	.			trans	-85.2	127.7	-179.5	-56.3	-58.5	0	0	0	111.4	V528 V529 T537 P542 L573 P574 Q669 Y670 A673	V528-F577 HydrophobicContact CG1-CB 3.9Å; V528-F577 VanDerWaalsContact O-CB 3.23Å; V528-F577 WeakPolarHBondContact O-CB 3.29Å; V528-F577 WeakPolarHBondContact O-CD1 3.26Å; V528-F577 WeakPolarHBondContact O-CG 3.43Å; V529-F577 HydrophobicContact CB-CD1 3.96Å; V529-F577 HydrophobicContact CB-CE1 3.71Å; V529-F577 HydrophobicContact CB-CG 4.5Å; V529-F577 HydrophobicContact CB-CZ 4.14Å; V529-F577 HydrophobicContact CG1-CD1 4.04Å; V529-F577 HydrophobicContact CG1-CD2 4.27Å; V529-F577 HydrophobicContact CG1-CE1 4.1Å; V529-F577 HydrophobicContact CG1-CE2 4.39Å; V529-F577 HydrophobicContact CG1-CG 4.09Å; V529-F577 HydrophobicContact CG1-CZ 4.29Å; T537-F577 HydrophobicContact CG2-CZ 4.4Å; P542-F577 HydrophobicContact CB-CD1 3.85Å; P542-F577 HydrophobicContact CB-CE1 3.86Å; P542-F577 HydrophobicContact CG-CD1 3.38Å; P542-F577 HydrophobicContact CG-CE1 3.36Å; P542-F577 HydrophobicContact CG-CZ 4.42Å; L573-F577 WeakPolarHBondContact CB-O 3.38Å; P574-F577 HydrophobicContact CG-CD2 4.27Å; P574-F577 VanDerWaalsContact O-CB 3.31Å; P574-F577 WeakPolarHBondContact O-CB 3.26Å; P574-F577 VanDerWaalsContact O-CD2 3.3Å; P574-F577 WeakPolarHBondContact O-CD2 3.32Å; P574-F577 PolarHBondContact O-N 2.9Å; F577-Q669 HydrophobicContact CE2-CB 3.98Å; F577-Y670 HydrophobicContact CZ-CD2 4.43Å; F577-A673 HydrophobicContact CB-CB 4.47Å; F577-A673 HydrophobicContact CD2-CB 3.83Å; F577-A673 HydrophobicContact CE2-CB 4.37Å; F577-A673 HydrophobicContact CG-CB 4.33Å
578	S	78.4	Confident	78.5	Confident	61 Å²	61	49.2 Å²	49.2	43%	0.427	28%	0.279	S	S	.	.			trans	-127.9	-167.2	-178.7	65	0	0	0	0	110.5	V528	V528-S578 WeakPolarHBondContact CA-O 2.93Å; V528-S578 WeakPolarHBondContact CB-O 3.44Å; V528-S578 VanDerWaalsContact CG2-O 3.22Å; V528-S578 WeakPolarHBondContact CG2-O 2.98Å
579	L	78.6	Confident	78.8	Confident	47 Å²	47	47.1 Å²	47.1	25%	0.246	26%	0.264	C	S	.	.			trans	-114.9	86.3	172.2	179.5	61.2	0	0	0	110.7	K524 V528 K581	K524-L579 HydrophobicContact CD-CD1 3.86Å; K524-L579 VanDerWaalsContact CE-CD1 3.49Å; K524-L579 HydrophobicContact CG-CD1 4.44Å; V528-L579 HydrophobicContact CG2-CD1 3.9Å; L579-K581 PolarHBondContact O-N 3.48Å
580	N	80.1	Confident	79.3	Confident	21 Å²	21	40.5 Å²	40.5	11%	0.112	24%	0.238	C	C	.	.			trans	-65.2	130.9	176.7	157	66.2	0	0	0	111.9	N527 Y544 F545 P582	N527-N580 HydrophobicContact CB-CB 3.78Å; N527-N580 VanDerWaalsContact CB-O 3.23Å; N527-N580 WeakPolarHBondContact CB-O 3.4Å; N527-N580 VanDerWaalsContact CG-ND2 3.28Å; N527-N580 PolarHBondContact ND2-ND2 3.13Å; N527-N580 PolarHBondContact ND2-O 2.71Å; N527-N580 PolarHBondContact O-N 3.11Å; N527-N580 PolarHBondContact OD1-ND2 2.91Å; Y544-N580 HydrophobicContact CD1-CB 4.47Å; Y544-N580 HydrophobicContact CD2-CB 4.28Å; Y544-N580 HydrophobicContact CG-CB 4.12Å; F545-N580 PolarHBondContact O-ND2 2.75Å; N580-P582 WeakPolarHBondContact O-CD 3.45Å
581	K	84.3	Confident	79.6	Confident	55 Å²	55	40.9 Å²	40.9	24%	0.239	24%	0.239	C	C	.	.			trans	-108.7	94.8	174	-53.9	-158.1	-160.9	87	0	109.1	E310 Y564 L579	E310-K581 HydrophobicContact CG-CB 4.26Å; E310-K581 PolarHBondContact N-O 3.01Å; E310-K581 WeakPolarHBondContact OE1-CD 3.39Å; E310-K581 IonicContact OE1-NZ 3.95Å; E310-K581 PolarHBondContact OE1-NZ 3.25Å; E310-K581 WeakPolarHBondContact OE2-CD 3.46Å; E310-K581 WeakPolarHBondContact OE2-CG 3.26Å; E310-K581 IonicContact OE2-NZ 2.9Å; E310-K581 PolarHBondContact OE2-NZ 3.28Å; Y564-K581 HydrophobicContact CD2-CD 3.88Å; Y564-K581 HydrophobicContact CD2-CG 4.39Å; Y564-K581 HydrophobicContact CE1-CB 4.42Å; Y564-K581 HydrophobicContact CE2-CD 3.78Å; Y564-K581 HydrophobicContact CG-CD 4.47Å; Y564-K581 HydrophobicContact CG-CG 4.49Å; L579-K581 PolarHBondContact O-N 3.48Å
582	P	87.4	Confident	79.6	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	24%	0.237	C	C	.	.			trans	-75.7	162	-175	31.6	-36.2	0	0	0	111.5	M523 N527 I548 N580 L584	M523-P582 HydrophobicContact CE-CG 4.39Å; M523-P582 HydrophobicContact SD-CG 4.23Å; N527-P582 VanDerWaalsContact ND2-CD 3.29Å; N527-P582 WeakPolarHBondContact ND2-CD 3.37Å; I548-P582 HydrophobicContact CD1-CG 4.02Å; I548-P582 HydrophobicContact CG1-CG 4.17Å; N580-P582 WeakPolarHBondContact O-CD 3.45Å; P582-L584 HydrophobicContact CG-CD2 4.25Å; P582-L584 PolarHBondContact O-N 3.22Å
583	L	89.9	Confident	79.3	Confident	5 Å²	5	43 Å²	43	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	125.1	167.3	174.4	73.4	0	0	0	109.5	I307 K309 P317 L320 S546 S547 I548	I307-L583 WeakPolarHBondContact O-CA 3.23Å; I307-L583 VanDerWaalsContact O-CD1 3.25Å; I307-L583 WeakPolarHBondContact O-CD1 3.18Å; K309-L583 HydrophobicContact CB-CB 4.16Å; P317-L583 HydrophobicContact CB-CD1 3.71Å; P317-L583 HydrophobicContact CB-CD2 4.26Å; P317-L583 HydrophobicContact CG-CD1 3.96Å; L320-L583 HydrophobicContact CD2-CD2 3.94Å; S546-L583 PolarHBondContact O-N 3.17Å; S547-L583 CarbonylContact C-O 3.59Å; S547-L583 VanDerWaalsContact CA-O 3.29Å; S547-L583 WeakPolarHBondContact CA-O 3.38Å; I548-L583 PolarHBondContact N-O 2.73Å
584	L	90.4	Very high	78.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.2	174.5	-60.8	-179.3	0	0	0	108.7	P306 I307 I548 Y554 L559 Y564 P582	P306-L584 CarbonylContact C-O 3.58Å; P306-L584 VanDerWaalsContact CA-O 3.29Å; P306-L584 WeakPolarHBondContact CA-O 3.24Å; I307-L584 HydrophobicContact CB-CB 4.22Å; I307-L584 HydrophobicContact CD1-CD1 4.16Å; I307-L584 PolarHBondContact N-O 2.77Å; I307-L584 PolarHBondContact O-N 3.34Å; I548-L584 HydrophobicContact CB-CD2 3.98Å; I548-L584 HydrophobicContact CD1-CD2 3.63Å; I548-L584 HydrophobicContact CG1-CD2 4.03Å; Y554-L584 HydrophobicContact CE2-CB 4.46Å; Y554-L584 PolarHBondContact OH-O 3.45Å; L559-L584 HydrophobicContact CB-CD1 4.47Å; L559-L584 HydrophobicContact CD2-CB 3.99Å; L559-L584 HydrophobicContact CD2-CD1 4.27Å; L559-L584 HydrophobicContact CD2-CD2 4.09Å; L559-L584 HydrophobicContact CD2-CG 4.34Å; L559-L584 HydrophobicContact CG-CD1 4.03Å; L559-L584 HydrophobicContact CG-CD2 4.29Å; Y564-L584 HydrophobicContact CE1-CD1 3.7Å; Y564-L584 HydrophobicContact CE1-CG 4.46Å; P582-L584 HydrophobicContact CG-CD2 4.25Å; P582-L584 PolarHBondContact O-N 3.22Å
585	S	90.4	Very high	78.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	150.5	-175	-179.3	0	0	0	0	113	A321 I548 I549 L550 Y554	A321-S585 VanDerWaalsContact CB-OG 3.25Å; A321-S585 WeakPolarHBondContact CB-OG 3.48Å; I548-S585 PolarHBondContact O-N 3.15Å; I549-S585 WeakPolarHBondContact CA-O 3.37Å; L550-S585 PolarHBondContact N-O 2.9Å; Y554-S585 WeakPolarHBondContact CD2-O 3.34Å
586	G	88.3	Confident	78.3	Confident	9 Å²	9	47 Å²	47	9%	0.093	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	149.6	166.3	0	0	0	0	0	110.6	Q318	Q318-G586 PolarHBondContact NE2-O 3.04Å; Q318-G586 PolarHBondContact OE1-O 3.27Å
587	I	85.6	Confident	78.5	Confident	12 Å²	12	52.2 Å²	52.2	6%	0.062	28%	0.283	C	S	.	.			trans	-76.9	150.8	176.5	70.8	171.4	0	0	0	111.4	Y444 I549 L550 N589 T590	Y444-I587 HydrophobicContact CE2-CG2 4.16Å; I549-I587 HydrophobicContact CG2-CG2 3.5Å; L550-I587 PolarHBondContact O-N 3.03Å; L550-I587 VanDerWaalsContact O-N 3.15Å; I587-N589 VanDerWaalsContact C-N 3.34Å; I587-N589 VanDerWaalsContact CD1-O 3.27Å; I587-N589 WeakPolarHBondContact CD1-O 3.5Å; I587-N589 PolarHBondContact O-N 3.05Å; I587-T590 WeakPolarHBondContact O-CG2 3.47Å
588	S	76	Confident	78.6	Confident	40 Å²	40	52 Å²	52	28%	0.28	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-46.8	173	-67.8	0	0	0	0	110.2	R284 Q318 D322 T590	R284-S588 PolarHBondContact NH1-O 3.04Å; R284-S588 PolarHBondContact NH2-O 3.15Å; Q318-S588 PolarHBondContact NE2-OG 2.66Å; D322-S588 WeakPolarHBondContact OD1-CB 3.35Å; D322-S588 PolarHBondContact OD1-N 2.92Å; D322-S588 WeakPolarHBondContact OD2-CB 3.43Å; D322-S588 PolarHBondContact OD2-OG 3.37Å; S588-T590 PolarHBondContact O-N 2.79Å
589	N	74.2	Confident	79.2	Confident	49 Å²	49	49.6 Å²	49.6	26%	0.262	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	63	-175.3	-74.8	-47	0	0	0	113.7	S274 G275 R284 I587 E591	S274-N589 WeakPolarHBondContact CB-ND2 3.5Å; S274-N589 PolarHBondContact O-OD1 3.39Å; S274-N589 PolarHBondContact OG-ND2 3.19Å; G275-N589 WeakPolarHBondContact CA-OD1 3.48Å; G275-N589 PolarHBondContact N-OD1 3.11Å; R284-N589 PolarHBondContact NH1-OD1 3.12Å; I587-N589 VanDerWaalsContact C-N 3.34Å; I587-N589 VanDerWaalsContact CD1-O 3.27Å; I587-N589 WeakPolarHBondContact CD1-O 3.5Å; I587-N589 PolarHBondContact O-N 3.05Å; N589-E591 PolarHBondContact O-N 2.71Å
590	T	74.3	Confident	79.8	Confident	57 Å²	57	51.1 Å²	51.1	35%	0.35	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-47.1	126.8	-177.1	62.3	0	0	0	0	113.8	G551 I587 S588	G551-T590 CarbonylContact O-C 3.57Å; G551-T590 WeakPolarHBondContact O-CA 3.38Å; I587-T590 WeakPolarHBondContact O-CG2 3.47Å; S588-T590 PolarHBondContact O-N 2.79Å
591	E	71.7	Confident	80.4	Confident	48 Å²	48	52.1 Å²	52.1	22%	0.224	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-58.7	143.2	177.3	-66.5	-165.2	161.8	0	0	112.2	R346 S446 G551 N589	R346-E591 IonicContact CZ-OE1 2.73Å; R346-E591 VanDerWaalsContact CZ-OE1 3.27Å; R346-E591 IonicContact CZ-OE2 3.68Å; R346-E591 IonicContact NH1-OE1 3.15Å; R346-E591 PolarHBondContact NH1-OE1 3.34Å; R346-E591 IonicContact NH1-OE2 3.05Å; R346-E591 PolarHBondContact NH1-OE2 3.07Å; R346-E591 IonicContact NH2-OE1 3.67Å; R346-E591 PolarHBondContact NH2-OE1 2.97Å; R346-E591 IonicContact NH2-OE2 3.29Å; S446-E591 VanDerWaalsContact CB-CD 3.47Å; S446-E591 WeakPolarHBondContact CB-OE2 3.41Å; S446-E591 PolarHBondContact OG-OE2 3.26Å; G551-E591 PolarHBondContact O-N 2.66Å; N589-E591 PolarHBondContact O-N 2.71Å
592	A	65.1	Low	80.9	Confident	39 Å²	39	49.5 Å²	49.5	32%	0.322	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-80.2	130	172.5	0	0	0	0	0	110.6	Q594	A592-Q594 PolarHBondContact O-N 2.86Å
593	R	66.6	Low	81.3	Confident	227 Å²	227	49.5 Å²	49.5	86%	0.857	27%	0.265	S	S	*	.			trans	-61.8	108	172.7	179.2	-174.3	178.1	-170.8	-0.1	110	P595	R593-P595 WeakPolarHBondContact O-CD 3.44Å
594	Q	67.9	Low	81.6	Confident	82 Å²	82	49.2 Å²	49.2	38%	0.383	26%	0.264	S	S	.	.			trans	-77.4	119.2	174.8	-56.4	-58.8	-15.7	0	0	110.7	H256 A592 G596	H256-Q594 PolarHBondContact O-NE2 2.56Å; A592-Q594 PolarHBondContact O-N 2.86Å; Q594-G596 PolarHBondContact O-N 2.94Å
595	P	65.7	Low	82	Confident	122 Å²	122	50 Å²	50	79%	0.792	27%	0.267	S	S	*	.			trans	-80.7	106.8	177.1	31.7	-31.7	0	0	0	110.3	R593	R593-P595 WeakPolarHBondContact O-CD 3.44Å
596	G	71.6	Confident	82.2	Confident	48 Å²	48	50.2 Å²	50.2	50%	0.495	27%	0.268	S	S	.	.	S	Bend	trans	-175.7	167.2	177.1	0	0	0	0	0	114.2	K347 Q594 A598	K347-G596 PolarHBondContact NZ-O 3.45Å; Q594-G596 PolarHBondContact O-N 2.94Å; G596-A598 PolarHBondContact O-N 2.96Å
597	K	81.2	Confident	82.5	Confident	166 Å²	166	52.4 Å²	52.4	72%	0.722	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-64.5	123.3	172.6	-173.1	175.3	-178.3	177	0	109.3	R345	R345-K597 PolarHBondContact NH2-O 3.3Å; R345-K597 VanDerWaalsContact NH2-O 3.09Å
598	A	84.1	Confident	82.7	Confident	4 Å²	4	55.3 Å²	55.3	3%	0.033	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-55.7	151.1	173.5	0	0	0	0	0	112.1	K347 T372 E487 G596	K347-A598 HydrophobicContact CB-CB 4.49Å; K347-A598 HydrophobicContact CD-CB 3.81Å; T372-A598 VanDerWaalsContact OG1-CB 3.28Å; T372-A598 WeakPolarHBondContact OG1-CB 3.19Å; E487-A598 HydrophobicContact CG-CB 4.32Å; E487-A598 WeakPolarHBondContact OE1-CB 3.43Å; G596-A598 PolarHBondContact O-N 2.96Å
599	P	89	Confident	83.5	Confident	10 Å²	10	55.1 Å²	55.1	7%	0.065	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-57.6	153.4	165.2	29.4	-37.1	0	0	0	110.8	R345 F601	R345-P599 WeakPolarHBondContact O-CG 3.24Å; P599-F601 VanDerWaalsContact C-N 3.34Å; P599-F601 HydrophobicContact CB-CD1 3.83Å; P599-F601 HydrophobicContact CB-CD2 4.3Å; P599-F601 HydrophobicContact CB-CE1 3.65Å; P599-F601 HydrophobicContact CB-CE2 4.13Å; P599-F601 HydrophobicContact CB-CG 4.15Å; P599-F601 HydrophobicContact CB-CZ 3.8Å
600	N	91.3	Very high	84.1	Confident	79 Å²	79	62.4 Å²	62.4	42%	0.422	34%	0.339	S	S	.	.	S	Bend	trans	-83.8	-13.7	168.4	-75.1	-3.5	0	0	0	112.1	K373 A617	K373-N600 PolarHBondContact NZ-OD1 3.38Å; N600-A617 WeakPolarHBondContact O-CB 3.37Å; N600-A617 PolarHBondContact O-N 2.75Å
601	F	93.8	Very high	84.8	Confident	41 Å²	41	61 Å²	61	18%	0.18	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	163.3	178.5	63.1	-98.9	0	0	0	112.9	H343 R345 P599 V603 V614 I615	H343-F601 HydrophobicContact CB-CE2 4.4Å; R345-F601 HydrophobicContact CB-CZ 4.43Å; P599-F601 VanDerWaalsContact C-N 3.34Å; P599-F601 HydrophobicContact CB-CD1 3.83Å; P599-F601 HydrophobicContact CB-CD2 4.3Å; P599-F601 HydrophobicContact CB-CE1 3.65Å; P599-F601 HydrophobicContact CB-CE2 4.13Å; P599-F601 HydrophobicContact CB-CG 4.15Å; P599-F601 HydrophobicContact CB-CZ 3.8Å; F601-V603 HydrophobicContact CD2-CG2 3.97Å; F601-V603 HydrophobicContact CE2-CG2 3.99Å; F601-V614 HydrophobicContact CB-CG1 3.86Å; F601-V614 HydrophobicContact CD2-CG1 4.33Å; F601-V614 HydrophobicContact CG-CG1 4.22Å; F601-I615 CarbonylContact C-O 3.49Å; F601-I615 VanDerWaalsContact CA-O 3.24Å; F601-I615 WeakPolarHBondContact CA-O 3.38Å
602	S	95.4	Very high	85.8	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	128	172	172.3	0	0	0	0	108	T370 I615	T370-S602 VanDerWaalsContact O-CA 3.24Å; T370-S602 WeakPolarHBondContact O-CA 3.34Å; T370-S602 VanDerWaalsContact O-CB 3.26Å; T370-S602 WeakPolarHBondContact O-CB 3.41Å; T370-S602 PolarHBondContact O-OG 3.04Å; S602-I615 PolarHBondContact N-O 2.85Å; S602-I615 PolarHBondContact O-N 3.47Å
603	V	95.6	Very high	87.3	Confident	1 Å²	1	60.7 Å²	60.7	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	143.9	176.8	178.5	0	0	0	0	109	H343 S369 T370 F601 L612 E613	H343-V603 HydrophobicContact CB-CG2 4.11Å; S369-V603 CarbonylContact C-O 3.5Å; S369-V603 WeakPolarHBondContact CA-O 3.49Å; S369-V603 WeakPolarHBondContact CB-O 3.21Å; T370-V603 HydrophobicContact CG2-CB 4.38Å; T370-V603 PolarHBondContact N-O 2.72Å; T370-V603 PolarHBondContact O-N 2.81Å; T370-V603 WeakPolarHBondContact OG1-CB 3.48Å; T370-V603 WeakPolarHBondContact OG1-CG2 3.49Å; T370-V603 PolarHBondContact OG1-N 2.85Å; T370-V603 VanDerWaalsContact OG1-N 3.13Å; F601-V603 HydrophobicContact CD2-CG2 3.97Å; F601-V603 HydrophobicContact CE2-CG2 3.99Å; V603-L612 HydrophobicContact CG1-CB 4.04Å; V603-L612 HydrophobicContact CG1-CD1 3.71Å; V603-L612 HydrophobicContact CG1-CD2 3.53Å; V603-L612 HydrophobicContact CG1-CG 3.95Å; V603-E613 WeakPolarHBondContact CA-O 3.47Å
604	N	96.4	Very high	88.7	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.8	165	74.6	87.3	0	0	0	113.3	V368 I395 E613 R629 L630	V368-N604 CarbonylContact O-C 3.46Å; I395-N604 HydrophobicContact CG2-CB 3.51Å; N604-E613 PolarHBondContact N-O 3.11Å; N604-E613 PolarHBondContact ND2-O 2.67Å; N604-E613 PolarHBondContact ND2-OE2 3.4Å; N604-E613 PolarHBondContact O-N 3.1Å; N604-R629 PolarHBondContact O-NH2 2.68Å; N604-R629 PolarHBondContact OD1-NE 2.8Å; N604-R629 PolarHBondContact OD1-NH2 3.22Å; N604-L630 HydrophobicContact CB-CD1 3.73Å; N604-L630 VanDerWaalsContact CG-CD1 3.47Å
605	W	97.1	Very high	90	Very high	17 Å²	17	47.1 Å²	47.1	6%	0.064	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.7	170.9	175.7	86.1	0	0	0	110.1	K331 L335 V365 C367 V368 I607 D609 L612	K331-W605 HydrophobicContact CG-CH2 4.31Å; K331-W605 HydrophobicContact CG-CZ3 4.07Å; L335-W605 HydrophobicContact CD1-CB 3.89Å; L335-W605 HydrophobicContact CD1-CD2 3.58Å; L335-W605 HydrophobicContact CD1-CE3 3.92Å; L335-W605 HydrophobicContact CD1-CG 3.56Å; L335-W605 HydrophobicContact CD2-CD2 4.36Å; L335-W605 HydrophobicContact CD2-CG 4.11Å; V365-W605 HydrophobicContact CG1-CZ3 4.26Å; C367-W605 VanDerWaalsContact CA-O 3.31Å; C367-W605 WeakPolarHBondContact CA-O 3.42Å; C367-W605 VanDerWaalsContact CB-O 3.25Å; C367-W605 WeakPolarHBondContact CB-O 3.32Å; V368-W605 HydrophobicContact CB-CE3 4.24Å; V368-W605 HydrophobicContact CG2-CE3 3.94Å; V368-W605 HydrophobicContact CG2-CZ3 4.3Å; V368-W605 PolarHBondContact N-O 3.31Å; V368-W605 VanDerWaalsContact N-O 3.07Å; V368-W605 PolarHBondContact O-N 3.06Å; W605-I607 HydrophobicContact CH2-CB 3.94Å; W605-I607 HydrophobicContact CH2-CG1 4.42Å; W605-I607 HydrophobicContact CZ2-CB 4.4Å; W605-D609 PolarHBondContact NE1-O 3.29Å; W605-L612 HydrophobicContact CB-CD2 3.8Å
606	T	96.3	Very high	91.4	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146	176.4	-43.9	0	0	0	0	108.1	V366 S399 R402 F403 G608 D609	V366-T606 CarbonylContact O-C 3.48Å; V366-T606 WeakPolarHBondContact O-CA 3.48Å; S399-T606 WeakPolarHBondContact CB-OG1 3.37Å; S399-T606 WeakPolarHBondContact O-CG2 2.85Å; S399-T606 PolarHBondContact OG-OG1 2.75Å; R402-T606 PolarHBondContact NH1-OG1 3.26Å; R402-T606 PolarHBondContact NH2-OG1 2.83Å; F403-T606 HydrophobicContact CB-CG2 3.85Å; T606-G608 PolarHBondContact O-N 3.07Å; T606-D609 WeakPolarHBondContact CA-OD2 3.38Å; T606-D609 WeakPolarHBondContact CB-OD2 3.22Å; T606-D609 PolarHBondContact N-OD2 3.05Å; T606-D609 VanDerWaalsContact O-CB 3.22Å; T606-D609 WeakPolarHBondContact O-CB 3.41Å; T606-D609 VanDerWaalsContact O-CG 3.29Å; T606-D609 PolarHBondContact O-N 3.01Å; T606-D609 PolarHBondContact OG1-OD2 3.39Å
607	I	93.9	Very high	92.5	Very high	55 Å²	55	41.1 Å²	41.1	28%	0.282	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	131.8	175.9	-170.3	170.4	0	0	0	111	Q364 V366 F403 W605	Q364-I607 HydrophobicContact CG-CD1 3.87Å; Q364-I607 VanDerWaalsContact OE1-CD1 3.32Å; V366-I607 HydrophobicContact CG1-CG2 4.43Å; V366-I607 PolarHBondContact O-N 3.14Å; F403-I607 HydrophobicContact CD2-CG2 3.38Å; F403-I607 HydrophobicContact CE2-CG2 3.43Å; F403-I607 VanDerWaalsContact CE2-CG2 3.43Å; F403-I607 HydrophobicContact CG-CG2 4.47Å; W605-I607 HydrophobicContact CH2-CB 3.94Å; W605-I607 HydrophobicContact CH2-CG1 4.42Å; W605-I607 HydrophobicContact CZ2-CB 4.4Å
608	G	88.8	Confident	93	Very high	74 Å²	74	35 Å²	35	76%	0.763	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.7	-13.6	-169.3	0	0	0	0	0	115.1	T606	T606-G608 PolarHBondContact O-N 3.07Å
609	D	92.8	Very high	93.4	Very high	35 Å²	35	36.4 Å²	36.4	19%	0.187	21%	0.212	C	C	.	.			trans	-74.3	132.2	171.5	-69.1	-39	0	0	0	111.5	R402 W605 T606 G611 R629	R402-D609 IonicContact CZ-OD1 2.64Å; R402-D609 IonicContact CZ-OD2 3.01Å; R402-D609 IonicContact NH2-OD1 2.75Å; R402-D609 PolarHBondContact NH2-OD1 3.2Å; R402-D609 IonicContact NH2-OD2 2.7Å; R402-D609 PolarHBondContact NH2-OD2 2.86Å; W605-D609 PolarHBondContact NE1-O 3.29Å; T606-D609 WeakPolarHBondContact CA-OD2 3.38Å; T606-D609 WeakPolarHBondContact CB-OD2 3.22Å; T606-D609 PolarHBondContact N-OD2 3.05Å; T606-D609 VanDerWaalsContact O-CB 3.22Å; T606-D609 WeakPolarHBondContact O-CB 3.41Å; T606-D609 VanDerWaalsContact O-CG 3.29Å; T606-D609 PolarHBondContact O-N 3.01Å; T606-D609 PolarHBondContact OG1-OD2 3.39Å; D609-G611 PolarHBondContact O-N 3.41Å; D609-G611 VanDerWaalsContact O-N 3.16Å; D609-R629 VanDerWaalsContact CG-CZ 3.42Å; D609-R629 IonicContact OD1-CZ 3.27Å; D609-R629 IonicContact OD1-NH1 3.62Å; D609-R629 PolarHBondContact OD1-NH1 2.67Å; D609-R629 IonicContact OD2-CZ 2.6Å; D609-R629 IonicContact OD2-NE 3.96Å; D609-R629 IonicContact OD2-NH1 3.19Å; D609-R629 PolarHBondContact OD2-NH1 3.4Å; D609-R629 IonicContact OD2-NH2 2.77Å; D609-R629 PolarHBondContact OD2-NH2 3.34Å
610	Q	87.9	Confident	93.6	Very high	203 Å²	203	36 Å²	36	95%	0.949	21%	0.209	S	C	*	.	S	Bend	trans	-61.7	-16.9	171.6	-63	-66.5	-11.9	0	0	113.8
611	G	89.1	Confident	93.8	Very high	28 Å²	28	35.2 Å²	35.2	29%	0.289	20%	0.202	S	C	.	.	S	Bend	trans	-178.9	179.2	-177.5	0	0	0	0	0	115.2	D609 R629	D609-G611 PolarHBondContact O-N 3.41Å; D609-G611 VanDerWaalsContact O-N 3.16Å; G611-R629 PolarHBondContact O-NH1 3.09Å; G611-R629 PolarHBondContact O-NH2 3.32Å; G611-R629 VanDerWaalsContact O-NH2 3.08Å
612	L	93.3	Very high	93.8	Very high	46 Å²	46	34.4 Å²	34.4	24%	0.241	20%	0.199	C	C	.	.			trans	-66.6	136.5	175.5	-64	-174.2	0	0	0	111.3	L335 T336 V603 W605	L335-L612 HydrophobicContact CB-CD1 4.46Å; L335-L612 HydrophobicContact CB-CD2 3.79Å; L335-L612 HydrophobicContact CB-CG 4.19Å; L335-L612 HydrophobicContact CD1-CD2 4.02Å; L335-L612 HydrophobicContact CD2-CD2 4.37Å; L335-L612 HydrophobicContact CG-CD2 4.29Å; L335-L612 WeakPolarHBondContact O-CD1 3.49Å; T336-L612 HydrophobicContact CG2-CD1 3.89Å; V603-L612 HydrophobicContact CG1-CB 4.04Å; V603-L612 HydrophobicContact CG1-CD1 3.71Å; V603-L612 HydrophobicContact CG1-CD2 3.53Å; V603-L612 HydrophobicContact CG1-CG 3.95Å; W605-L612 HydrophobicContact CB-CD2 3.8Å
613	E	95.4	Very high	93.5	Very high	34 Å²	34	39.5 Å²	39.5	16%	0.159	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.8	161.6	179.6	-168	-99.2	0	0	108	V603 N604 I615 S628 R629	V603-E613 WeakPolarHBondContact CA-O 3.47Å; N604-E613 PolarHBondContact N-O 3.11Å; N604-E613 PolarHBondContact ND2-O 2.67Å; N604-E613 PolarHBondContact ND2-OE2 3.4Å; N604-E613 PolarHBondContact O-N 3.1Å; E613-I615 HydrophobicContact CG-CD1 3.84Å; E613-I615 HydrophobicContact CG-CG1 4.21Å; E613-S628 WeakPolarHBondContact OE2-CB 3.41Å; E613-S628 PolarHBondContact OE2-OG 3.46Å; E613-R629 VanDerWaalsContact N-NH2 3.14Å; E613-R629 WeakPolarHBondContact OE1-CB 3.37Å; E613-R629 WeakPolarHBondContact OE1-CD 3.5Å; E613-R629 WeakPolarHBondContact OE1-CG 3.38Å; E613-R629 PolarHBondContact OE1-N 2.73Å; E613-R629 IonicContact OE1-NE 2.81Å
614	V	96	Very high	93.4	Very high	23 Å²	23	45.8 Å²	45.8	14%	0.139	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121.9	-178.6	-176	0	0	0	0	108.6	H343 F601 D622	H343-V614 HydrophobicContact CB-CG2 4.48Å; F601-V614 HydrophobicContact CB-CG1 3.86Å; F601-V614 HydrophobicContact CD2-CG1 4.33Å; F601-V614 HydrophobicContact CG-CG1 4.22Å; V614-D622 WeakPolarHBondContact O-CB 3.33Å
615	I	96.4	Very high	93.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127	-176	-62.2	-54.9	0	0	0	109.4	L387 F601 S602 E613 A617 K621 D622	L387-I615 HydrophobicContact CD1-CG1 4.21Å; L387-I615 HydrophobicContact CD1-CG2 4Å; F601-I615 CarbonylContact C-O 3.49Å; F601-I615 VanDerWaalsContact CA-O 3.24Å; F601-I615 WeakPolarHBondContact CA-O 3.38Å; S602-I615 PolarHBondContact N-O 2.85Å; S602-I615 PolarHBondContact O-N 3.47Å; E613-I615 HydrophobicContact CG-CD1 3.84Å; E613-I615 HydrophobicContact CG-CG1 4.21Å; I615-A617 PolarHBondContact O-N 3.2Å; I615-K621 CarbonylContact C-O 3.2Å; I615-K621 WeakPolarHBondContact CA-O 3.38Å; I615-K621 WeakPolarHBondContact CG2-O 2.7Å; I615-D622 HydrophobicContact CD1-CB 4.02Å
616	N	95	Very high	93	Very high	43 Å²	43	54 Å²	54	23%	0.23	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	113.9	167.5	-179.5	-21.7	0	0	0	108.9	T618 T619 G620 K621	N616-T618 PolarHBondContact O-N 3.22Å; N616-T618 WeakPolarHBondContact OD1-CB 3.22Å; N616-T618 PolarHBondContact OD1-N 3.11Å; N616-T619 PolarHBondContact O-N 3.15Å; N616-T619 PolarHBondContact O-OG1 2.73Å; N616-G620 WeakPolarHBondContact O-CA 3.27Å; N616-G620 PolarHBondContact O-N 3.05Å; N616-K621 PolarHBondContact N-O 2.81Å
617	A	92.8	Very high	92.9	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.008	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.7	-172.8	0	0	0	0	0	113.4	K373 C374 I375 C390 N600 I615	K373-A617 HydrophobicContact CB-CB 3.76Å; C374-A617 CarbonylContact C-O 3.56Å; C374-A617 VanDerWaalsContact O-O 3.11Å; I375-A617 WeakPolarHBondContact CA-O 3.21Å; I375-A617 PolarHBondContact N-O 2.87Å; C390-A617 HydrophobicContact CB-CB 3.68Å; N600-A617 WeakPolarHBondContact O-CB 3.37Å; N600-A617 PolarHBondContact O-N 2.75Å; I615-A617 PolarHBondContact O-N 3.2Å
618	T	91.7	Very high	93	Very high	37 Å²	37	54.8 Å²	54.8	23%	0.227	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-37.3	177.1	-52.6	0	0	0	0	111.7	I375 N376 Y379 N616	I375-T618 WeakPolarHBondContact CA-O 3.2Å; I375-T618 WeakPolarHBondContact CG1-O 3.45Å; N376-T618 HydrophobicContact CB-CG2 4.12Å; N376-T618 PolarHBondContact N-O 3.3Å; Y379-T618 HydrophobicContact CD2-CG2 4.31Å; Y379-T618 WeakPolarHBondContact CD2-O 3.48Å; Y379-T618 HydrophobicContact CE2-CG2 4.23Å; N616-T618 PolarHBondContact O-N 3.22Å; N616-T618 WeakPolarHBondContact OD1-CB 3.22Å; N616-T618 PolarHBondContact OD1-N 3.11Å
619	T	92.6	Very high	93.3	Very high	34 Å²	34	54 Å²	54	21%	0.209	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-15.9	-179.9	60.8	0	0	0	0	113.3	I375 Y379 N616 K621	I375-T619 WeakPolarHBondContact CD1-O 3.15Å; Y379-T619 HydrophobicContact CD2-CG2 3.87Å; Y379-T619 HydrophobicContact CE2-CG2 3.96Å; Y379-T619 HydrophobicContact CG-CG2 4.28Å; N616-T619 PolarHBondContact O-N 3.15Å; N616-T619 PolarHBondContact O-OG1 2.73Å; T619-K621 PolarHBondContact O-N 3.47Å
620	G	93.6	Very high	93.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	18	-177.4	0	0	0	0	0	114.2	A386 L387 N616	A386-G620 WeakPolarHBondContact CA-O 3.4Å; L387-G620 PolarHBondContact N-O 3.46Å; L387-G620 WeakPolarHBondContact O-CA 3.28Å; N616-G620 WeakPolarHBondContact O-CA 3.27Å; N616-G620 PolarHBondContact O-N 3.05Å
621	K	95.3	Very high	93.8	Very high	64 Å²	64	42.7 Å²	42.7	28%	0.278	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	171.8	-176.7	-63.4	-165.6	-168.6	175.9	0	110.8	A386 I615 N616 T619 G625 R626	A386-K621 HydrophobicContact CB-CG 4.44Å; I615-K621 CarbonylContact C-O 3.2Å; I615-K621 WeakPolarHBondContact CA-O 3.38Å; I615-K621 WeakPolarHBondContact CG2-O 2.7Å; N616-K621 PolarHBondContact N-O 2.81Å; T619-K621 PolarHBondContact O-N 3.47Å; K621-G625 WeakPolarHBondContact CD-O 3.48Å; K621-R626 WeakPolarHBondContact CB-O 3.43Å
622	D	94.4	Very high	94.1	Very high	23 Å²	23	42.2 Å²	42.2	12%	0.123	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	172.6	171.8	85.4	-11.3	0	0	0	112.2	V614 I615 L624 G625 R626	V614-D622 WeakPolarHBondContact O-CB 3.33Å; I615-D622 HydrophobicContact CD1-CB 4.02Å; D622-L624 PolarHBondContact O-N 2.86Å; D622-L624 VanDerWaalsContact O-N 3.15Å; D622-L624 VanDerWaalsContact OD1-C 3.3Å; D622-L624 WeakPolarHBondContact OD1-CA 3.49Å; D622-L624 PolarHBondContact OD1-N 3.31Å; D622-G625 PolarHBondContact O-N 3.39Å; D622-G625 PolarHBondContact OD1-N 3.27Å; D622-R626 PolarHBondContact N-O 3.23Å; D622-R626 VanDerWaalsContact N-O 3.14Å; D622-R626 WeakPolarHBondContact OD1-CB 3.25Å; D622-R626 PolarHBondContact OD1-N 2.9Å; D622-R626 IonicContact OD1-NE 2.73Å; D622-R626 IonicContact OD2-CZ 3.46Å; D622-R626 IonicContact OD2-NE 3.53Å; D622-R626 PolarHBondContact OD2-NE 2.86Å; D622-R626 IonicContact OD2-NH2 3.45Å; D622-R626 PolarHBondContact OD2-NH2 3.34Å
623	D	89.9	Confident	94.1	Very high	108 Å²	108	42.2 Å²	42.2	58%	0.578	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.6	-178.1	-64.1	-42.9	0	0	0	113.6
624	L	91.8	Very high	94	Very high	133 Å²	133	42 Å²	42	70%	0.696	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	7.8	171.2	-61.1	178.8	0	0	0	112.6	D622 R626	D622-L624 PolarHBondContact O-N 2.86Å; D622-L624 VanDerWaalsContact O-N 3.15Å; D622-L624 VanDerWaalsContact OD1-C 3.3Å; D622-L624 WeakPolarHBondContact OD1-CA 3.49Å; D622-L624 PolarHBondContact OD1-N 3.31Å; L624-R626 VanDerWaalsContact C-N 3.29Å; L624-R626 HydrophobicContact CB-CG 4.24Å; L624-R626 PolarHBondContact O-N 2.91Å
625	G	91.6	Very high	93.9	Very high	42 Å²	42	41.5 Å²	41.5	43%	0.433	22%	0.221	S	C	.	.	S	Bend	trans	73.9	13.9	179.2	0	0	0	0	0	114.9	K621 D622	K621-G625 WeakPolarHBondContact CD-O 3.48Å; D622-G625 PolarHBondContact O-N 3.39Å; D622-G625 PolarHBondContact OD1-N 3.27Å
626	R	94.5	Very high	93.7	Very high	148 Å²	148	41.6 Å²	41.6	56%	0.558	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-82.5	149.3	178.4	-56.4	-179.5	-62.7	-175.4	1.8	111.1	K621 D622 L624	K621-R626 WeakPolarHBondContact CB-O 3.43Å; D622-R626 PolarHBondContact N-O 3.23Å; D622-R626 VanDerWaalsContact N-O 3.14Å; D622-R626 WeakPolarHBondContact OD1-CB 3.25Å; D622-R626 PolarHBondContact OD1-N 2.9Å; D622-R626 IonicContact OD1-NE 2.73Å; D622-R626 IonicContact OD2-CZ 3.46Å; D622-R626 IonicContact OD2-NE 3.53Å; D622-R626 PolarHBondContact OD2-NE 2.86Å; D622-R626 IonicContact OD2-NH2 3.45Å; D622-R626 PolarHBondContact OD2-NH2 3.34Å; L624-R626 VanDerWaalsContact C-N 3.29Å; L624-R626 HydrophobicContact CB-CG 4.24Å; L624-R626 PolarHBondContact O-N 2.91Å
627	P	94.8	Very high	93.5	Very high	71 Å²	71	41.3 Å²	41.3	46%	0.461	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-67.7	135	176.9	28.4	-34.4	0	0	0	111.4	L385	L385-P627 HydrophobicContact CB-CB 4.21Å; L385-P627 HydrophobicContact CD2-CB 4.11Å; L385-P627 HydrophobicContact CD2-CG 4.38Å; L385-P627 WeakPolarHBondContact O-CB 3.32Å
628	S	96.1	Very high	93.4	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.014	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-61.5	146.1	173.4	170.2	0	0	0	0	112.2	L387 E613 L630 C631	L387-S628 WeakPolarHBondContact CD1-OG 3.29Å; E613-S628 WeakPolarHBondContact OE2-CB 3.41Å; E613-S628 PolarHBondContact OE2-OG 3.46Å; S628-L630 PolarHBondContact O-N 3.1Å; S628-L630 WeakPolarHBondContact OG-CB 3.49Å; S628-L630 PolarHBondContact OG-N 2.81Å; S628-C631 WeakPolarHBondContact O-CB 3.39Å; S628-C631 PolarHBondContact O-N 3.4Å; S628-C631 PolarHBondContact O-SG 3.21Å
629	R	95.1	Very high	93.4	Very high	57 Å²	57	41.5 Å²	41.5	22%	0.215	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-12.4	165.8	72.4	-160.6	173.4	-176.1	-10	114.1	R402 N604 D609 G611 E613	R402-R629 WeakPolarHBondContact CD-O 3.41Å; N604-R629 PolarHBondContact O-NH2 2.68Å; N604-R629 PolarHBondContact OD1-NE 2.8Å; N604-R629 PolarHBondContact OD1-NH2 3.22Å; D609-R629 VanDerWaalsContact CG-CZ 3.42Å; D609-R629 IonicContact OD1-CZ 3.27Å; D609-R629 IonicContact OD1-NH1 3.62Å; D609-R629 PolarHBondContact OD1-NH1 2.67Å; D609-R629 IonicContact OD2-CZ 2.6Å; D609-R629 IonicContact OD2-NE 3.96Å; D609-R629 IonicContact OD2-NH1 3.19Å; D609-R629 PolarHBondContact OD2-NH1 3.4Å; D609-R629 IonicContact OD2-NH2 2.77Å; D609-R629 PolarHBondContact OD2-NH2 3.34Å; G611-R629 PolarHBondContact O-NH1 3.09Å; G611-R629 PolarHBondContact O-NH2 3.32Å; G611-R629 VanDerWaalsContact O-NH2 3.08Å; E613-R629 VanDerWaalsContact N-NH2 3.14Å; E613-R629 WeakPolarHBondContact OE1-CB 3.37Å; E613-R629 WeakPolarHBondContact OE1-CD 3.5Å; E613-R629 WeakPolarHBondContact OE1-CG 3.38Å; E613-R629 PolarHBondContact OE1-N 2.73Å; E613-R629 IonicContact OE1-NE 2.81Å
630	L	95.7	Very high	93.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-4.2	175	-59.6	-176.8	0	0	0	114.1	L387 I395 R398 N604 S628	L387-L630 HydrophobicContact CD1-CB 4.28Å; L387-L630 HydrophobicContact CD2-CB 4.09Å; L387-L630 WeakPolarHBondContact CD2-O 3.37Å; I395-L630 HydrophobicContact CD1-CD1 4.39Å; I395-L630 HydrophobicContact CG2-CD1 3.73Å; R398-L630 HydrophobicContact CB-CB 4.14Å; R398-L630 HydrophobicContact CB-CD1 4.15Å; R398-L630 HydrophobicContact CB-CD2 4.02Å; R398-L630 HydrophobicContact CB-CG 4.35Å; R398-L630 PolarHBondContact NE-O 2.95Å; R398-L630 PolarHBondContact NH2-O 3.37Å; N604-L630 HydrophobicContact CB-CD1 3.73Å; N604-L630 VanDerWaalsContact CG-CD1 3.47Å; S628-L630 PolarHBondContact O-N 3.1Å; S628-L630 WeakPolarHBondContact OG-CB 3.49Å; S628-L630 PolarHBondContact OG-N 2.81Å
631	C	95.2	Very high	93	Very high	2 Å²	2	45 Å²	45	1%	0.014	23%	0.234	C	C	.	.	S	Bend	trans	-61.1	174.3	-175.9	73.3	0	0	0	0	113	L385 R398 S628 H633 A634 L635	L385-C631 WeakPolarHBondContact O-CB 3.46Å; R398-C631 PolarHBondContact NH2-O 3.38Å; S628-C631 WeakPolarHBondContact O-CB 3.39Å; S628-C631 PolarHBondContact O-N 3.4Å; S628-C631 PolarHBondContact O-SG 3.21Å; C631-H633 VanDerWaalsContact C-N 3.32Å; C631-A634 PolarHBondContact SG-N 3.29Å; C631-L635 WeakPolarHBondContact O-CG 3.49Å; C631-L635 PolarHBondContact O-N 3.05Å
632	K	94.1	Very high	92.7	Very high	17 Å²	17	41.9 Å²	41.9	7%	0.074	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-41.3	179.8	-60.2	177.1	175.6	-165.3	0	110.6	G384 Y636 Y660 Q696 D697 F699	G384-K632 WeakPolarHBondContact O-CB 3.32Å; G384-K632 PolarHBondContact O-N 3.27Å; K632-Y636 PolarHBondContact O-N 3.15Å; K632-Y660 HydrophobicContact CB-CE1 3.84Å; K632-Y660 HydrophobicContact CD-CE1 3.9Å; K632-Y660 HydrophobicContact CG-CE1 4.19Å; K632-Q696 PolarHBondContact NZ-O 3.47Å; K632-D697 IonicContact NZ-OD1 2.61Å; K632-D697 PolarHBondContact NZ-OD1 2.95Å; K632-F699 HydrophobicContact CB-CE1 4.05Å; K632-F699 HydrophobicContact CB-CZ 3.83Å; K632-F699 HydrophobicContact CD-CE1 4.16Å
633	H	93.3	Very high	92.3	Very high	47 Å²	47	41.2 Å²	41.2	22%	0.218	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-53.3	-179.7	-164.9	-68.6	0	0	0	112.3	G384 L385 C631 L635 Y636 T637 F699 F701	G384-H633 PolarHBondContact O-N 3.29Å; L385-H633 HydrophobicContact CD2-CB 3.89Å; C631-H633 VanDerWaalsContact C-N 3.32Å; H633-L635 VanDerWaalsContact C-N 3.28Å; H633-L635 PolarHBondContact O-N 3Å; H633-Y636 CarbonylContact O-C 3.58Å; H633-Y636 WeakPolarHBondContact O-CA 3.45Å; H633-Y636 WeakPolarHBondContact O-CB 3.39Å; H633-Y636 PolarHBondContact O-N 3.11Å; H633-T637 PolarHBondContact ND1-OG1 3.12Å; H633-T637 PolarHBondContact O-N 3.16Å; H633-T637 PolarHBondContact O-OG1 3.44Å; H633-F699 HydrophobicContact CB-CE2 4.44Å; H633-F701 AromaticContact CE1-CD2 3.79Å; H633-F701 AromaticContact CE1-CE2 3.72Å
634	A	93.9	Very high	92	Very high	28 Å²	28	38.8 Å²	38.8	23%	0.231	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-34.3	-179.5	0	0	0	0	0	113.5	C631 Y636	C631-A634 PolarHBondContact SG-N 3.29Å; A634-Y636 VanDerWaalsContact C-N 3.29Å
635	L	93.3	Very high	91.7	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.068	20%	0.203	C	C	.	.	H	α-helix	trans	-79.1	-7.8	173.3	-65.3	-179.9	0	0	0	113.8	I401 R402 Y405 C631 H633	I401-L635 HydrophobicContact CG2-CD2 4.45Å; R402-L635 HydrophobicContact CB-CD2 4.15Å; R402-L635 HydrophobicContact CG-CD2 4.24Å; Y405-L635 HydrophobicContact CD2-CD2 4.49Å; Y405-L635 HydrophobicContact CE2-CD2 4.35Å; Y405-L635 WeakPolarHBondContact CE2-O 3.38Å; Y405-L635 PolarHBondContact OH-O 2.97Å; C631-L635 WeakPolarHBondContact O-CG 3.49Å; C631-L635 PolarHBondContact O-N 3.05Å; H633-L635 VanDerWaalsContact C-N 3.28Å; H633-L635 PolarHBondContact O-N 3Å
636	Y	92.7	Very high	91.1	Very high	4 Å²	4	37 Å²	37	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-97	-39.8	172.9	-170.8	-135.4	0	0	0	112.1	L535 K632 H633 A634 R638 W639 I640 P657 Y660 A663 F699 F701	L535-Y636 HydrophobicContact CD1-CD2 4.03Å; K632-Y636 PolarHBondContact O-N 3.15Å; H633-Y636 CarbonylContact O-C 3.58Å; H633-Y636 WeakPolarHBondContact O-CA 3.45Å; H633-Y636 WeakPolarHBondContact O-CB 3.39Å; H633-Y636 PolarHBondContact O-N 3.11Å; A634-Y636 VanDerWaalsContact C-N 3.29Å; Y636-R638 PolarHBondContact O-N 3.43Å; Y636-W639 HydrophobicContact CD2-CB 4.31Å; Y636-W639 HydrophobicContact CD2-CD2 4.38Å; Y636-W639 AromaticContact CD2-CE3 3.86Å; Y636-W639 HydrophobicContact CD2-CE3 3.86Å; Y636-W639 HydrophobicContact CE2-CD2 4.26Å; Y636-W639 AromaticContact CE2-CE3 3.43Å; Y636-W639 HydrophobicContact CE2-CE3 3.43Å; Y636-W639 VanDerWaalsContact CE2-CE3 3.43Å; Y636-W639 AromaticContact CE2-CZ3 3.81Å; Y636-W639 HydrophobicContact CE2-CZ3 3.81Å; Y636-W639 CarbonylContact O-C 3.59Å; Y636-W639 WeakPolarHBondContact O-CA 3.39Å; Y636-W639 VanDerWaalsContact O-CB 3.29Å; Y636-W639 WeakPolarHBondContact O-CB 3.27Å; Y636-W639 PolarHBondContact O-N 3.26Å; Y636-I640 HydrophobicContact CD1-CD1 3.97Å; Y636-I640 HydrophobicContact CD2-CG1 4.42Å; Y636-I640 HydrophobicContact CE1-CD1 3.77Å; Y636-I640 HydrophobicContact CE1-CG1 4.37Å; Y636-I640 HydrophobicContact CE2-CD1 4.48Å; Y636-I640 HydrophobicContact CE2-CG1 4.21Å; Y636-I640 HydrophobicContact CG-CD1 4.41Å; Y636-I640 WeakPolarHBondContact O-CG1 3.42Å; Y636-I640 PolarHBondContact O-N 3.3Å; Y636-P657 PolarHBondContact OH-O 2.71Å; Y636-Y660 AromaticContact CD1-CD2 3.9Å; Y636-Y660 HydrophobicContact CD1-CD2 3.9Å; Y636-Y660 HydrophobicContact CD1-CG 4.43Å; Y636-Y660 AromaticContact CD2-CD2 3.56Å; Y636-Y660 HydrophobicContact CD2-CD2 3.56Å; Y636-Y660 HydrophobicContact CD2-CE2 4.14Å; Y636-Y660 HydrophobicContact CE1-CD2 4.4Å; Y636-Y660 HydrophobicContact CE2-CD2 4.08Å; Y636-Y660 AromaticContact CG-CD2 3.45Å; Y636-Y660 HydrophobicContact CG-CD2 3.45Å; Y636-Y660 VanDerWaalsContact CG-CD2 3.45Å; Y636-Y660 HydrophobicContact CG-CE2 4.06Å; Y636-Y660 HydrophobicContact CG-CG 4.39Å; Y636-A663 HydrophobicContact CE2-CB 3.72Å; Y636-F699 HydrophobicContact CD1-CE2 4.23Å; Y636-F701 HydrophobicContact CE1-CB 4.38Å
637	T	91.4	Very high	90	Very high	36 Å²	36	33.2 Å²	33.2	22%	0.221	18%	0.18	C	C	.	.	H	α-helix	trans	-50.9	-54.9	172.7	-52.1	0	0	0	0	110.7	H633 W639 I640 D641 F701	H633-T637 PolarHBondContact ND1-OG1 3.12Å; H633-T637 PolarHBondContact O-N 3.16Å; H633-T637 PolarHBondContact O-OG1 3.44Å; T637-W639 PolarHBondContact O-N 3.38Å; T637-W639 VanDerWaalsContact O-N 3.15Å; T637-I640 WeakPolarHBondContact O-CB 3.4Å; T637-I640 PolarHBondContact O-N 2.74Å; T637-D641 PolarHBondContact O-N 2.85Å; T637-D641 VanDerWaalsContact O-OD2 3.12Å; T637-F701 HydrophobicContact CG2-CE2 3.86Å; T637-F701 HydrophobicContact CG2-CZ 3.97Å; T637-F701 WeakPolarHBondContact OG1-CE2 3.4Å
638	R	91.3	Very high	88.8	Confident	42 Å²	42	34.6 Å²	34.6	16%	0.158	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-21.1	176.1	-66	-171	70.6	-162.5	19.1	114.8	R402 Y405 S406 E409 Y636 D641 L642	R402-R638 VanDerWaalsContact CG-NH1 3.26Å; R402-R638 PolarHBondContact O-NH1 3.05Å; Y405-R638 HydrophobicContact CD2-CB 4.27Å; S406-R638 PolarHBondContact OG-NH1 3.07Å; S406-R638 PolarHBondContact OG-NH2 2.84Å; E409-R638 IonicContact OE1-CZ 2.85Å; E409-R638 IonicContact OE1-NE 3.45Å; E409-R638 PolarHBondContact OE1-NE 3.07Å; E409-R638 IonicContact OE1-NH2 2.75Å; E409-R638 PolarHBondContact OE1-NH2 3.33Å; E409-R638 IonicContact OE2-CZ 2.74Å; E409-R638 IonicContact OE2-NE 2.7Å; E409-R638 IonicContact OE2-NH2 3.94Å; E409-R638 PolarHBondContact OE2-NH2 2.9Å; Y636-R638 PolarHBondContact O-N 3.43Å; R638-D641 WeakPolarHBondContact CA-OD2 3.46Å; R638-L642 WeakPolarHBondContact O-CG 3.25Å; R638-L642 PolarHBondContact O-N 2.89Å
639	W	91.7	Very high	87.9	Confident	1 Å²	1	36.3 Å²	36.3	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-75.5	-42.1	173.2	-178.7	88.1	0	0	0	110.9	Y405 L535 Y538 F539 Y636 T637 L642 H643 P657 A663	Y405-W639 HydrophobicContact CE1-CB 4.41Å; L535-W639 HydrophobicContact CB-CG 4.18Å; L535-W639 HydrophobicContact CD1-CG 4.43Å; L535-W639 HydrophobicContact CD2-CD2 4.26Å; L535-W639 HydrophobicContact CD2-CZ2 4.4Å; L535-W639 PolarHBondContact O-NE1 3.29Å; Y538-W639 AromaticContact CD1-CZ2 3.83Å; Y538-W639 HydrophobicContact CD1-CZ2 3.83Å; Y538-W639 AromaticContact CD2-CZ2 3.88Å; Y538-W639 HydrophobicContact CD2-CZ2 3.88Å; Y538-W639 HydrophobicContact CE1-CH2 4.34Å; Y538-W639 AromaticContact CE1-CZ2 3.85Å; Y538-W639 HydrophobicContact CE1-CZ2 3.85Å; Y538-W639 AromaticContact CE2-CZ2 3.9Å; Y538-W639 HydrophobicContact CE2-CZ2 3.9Å; Y538-W639 AromaticContact CG-CZ2 3.84Å; Y538-W639 HydrophobicContact CG-CZ2 3.84Å; Y538-W639 AromaticContact CZ-CZ2 3.88Å; F539-W639 AromaticContact CE2-CD1 3.44Å; F539-W639 VanDerWaalsContact CE2-CD1 3.44Å; F539-W639 HydrophobicContact CE2-CG 4.33Å; F539-W639 AromaticContact CE2-NE1 3.63Å; F539-W639 AromaticContact CZ-CD1 3.94Å; F539-W639 AromaticContact CZ-NE1 3.87Å; Y636-W639 HydrophobicContact CD2-CB 4.31Å; Y636-W639 HydrophobicContact CD2-CD2 4.38Å; Y636-W639 AromaticContact CD2-CE3 3.86Å; Y636-W639 HydrophobicContact CD2-CE3 3.86Å; Y636-W639 HydrophobicContact CE2-CD2 4.26Å; Y636-W639 AromaticContact CE2-CE3 3.43Å; Y636-W639 HydrophobicContact CE2-CE3 3.43Å; Y636-W639 VanDerWaalsContact CE2-CE3 3.43Å; Y636-W639 AromaticContact CE2-CZ3 3.81Å; Y636-W639 HydrophobicContact CE2-CZ3 3.81Å; Y636-W639 CarbonylContact O-C 3.59Å; Y636-W639 WeakPolarHBondContact O-CA 3.39Å; Y636-W639 VanDerWaalsContact O-CB 3.29Å; Y636-W639 WeakPolarHBondContact O-CB 3.27Å; Y636-W639 PolarHBondContact O-N 3.26Å; T637-W639 PolarHBondContact O-N 3.38Å; T637-W639 VanDerWaalsContact O-N 3.15Å; W639-L642 PolarHBondContact O-N 2.72Å; W639-H643 HydrophobicContact CE3-CB 4.3Å; W639-H643 HydrophobicContact CH2-CB 4.15Å; W639-H643 AromaticContact CH2-CD2 3.3Å; W639-H643 WeakPolarHBondContact CH2-CD2 3.46Å; W639-H643 AromaticContact CH2-CG 3.75Å; W639-H643 AromaticContact CH2-NE2 3.84Å; W639-H643 HydrophobicContact CZ2-CB 4.39Å; W639-H643 AromaticContact CZ2-CD2 3.49Å; W639-H643 VanDerWaalsContact CZ2-CD2 3.49Å; W639-H643 WeakPolarHBondContact CZ2-CD2 3.24Å; W639-H643 HydrophobicContact CZ3-CB 4.11Å; W639-H643 VanDerWaalsContact O-CB 3.28Å; W639-H643 WeakPolarHBondContact O-CB 3.49Å; W639-H643 PolarHBondContact O-N 3.27Å; W639-P657 HydrophobicContact CH2-CG 3.63Å; W639-P657 HydrophobicContact CZ3-CG 3.68Å; W639-A663 HydrophobicContact CH2-CB 4.33Å; W639-A663 HydrophobicContact CZ3-CB 4.33Å
640	I	89.4	Confident	87.1	Confident	40 Å²	40	33.9 Å²	33.9	21%	0.205	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-44.2	173.3	-61.2	167.9	0	0	0	110.2	Y636 T637 L642 H643 S644 F701	Y636-I640 HydrophobicContact CD1-CD1 3.97Å; Y636-I640 HydrophobicContact CD2-CG1 4.42Å; Y636-I640 HydrophobicContact CE1-CD1 3.77Å; Y636-I640 HydrophobicContact CE1-CG1 4.37Å; Y636-I640 HydrophobicContact CE2-CD1 4.48Å; Y636-I640 HydrophobicContact CE2-CG1 4.21Å; Y636-I640 HydrophobicContact CG-CD1 4.41Å; Y636-I640 WeakPolarHBondContact O-CG1 3.42Å; Y636-I640 PolarHBondContact O-N 3.3Å; T637-I640 WeakPolarHBondContact O-CB 3.4Å; T637-I640 PolarHBondContact O-N 2.74Å; I640-L642 PolarHBondContact O-N 2.77Å; I640-H643 PolarHBondContact O-N 3.45Å; I640-S644 PolarHBondContact O-N 3.34Å; I640-S644 VanDerWaalsContact O-N 3.09Å; I640-S644 PolarHBondContact O-OG 2.91Å; I640-F701 HydrophobicContact CD1-CB 3.55Å; I640-F701 HydrophobicContact CD1-CD1 4.02Å; I640-F701 HydrophobicContact CD1-CD2 4.25Å; I640-F701 HydrophobicContact CD1-CG 3.68Å
641	D	88.6	Confident	86.3	Confident	66 Å²	66	37.7 Å²	37.7	35%	0.353	21%	0.207	S	C	.	.	H	α-helix	trans	-57.4	-29.9	175.7	-68.8	-45.1	0	0	0	112.9	T637 R638 S644 K645	T637-D641 PolarHBondContact O-N 2.85Å; T637-D641 VanDerWaalsContact O-OD2 3.12Å; R638-D641 WeakPolarHBondContact CA-OD2 3.46Å; D641-S644 PolarHBondContact O-OG 3.14Å; D641-K645 VanDerWaalsContact O-CD 3.32Å; D641-K645 WeakPolarHBondContact O-CD 3.45Å; D641-K645 VanDerWaalsContact O-CG 3.28Å; D641-K645 WeakPolarHBondContact O-CG 3.45Å; D641-K645 PolarHBondContact O-NZ 2.99Å
642	L	87.4	Confident	85.6	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-91.1	-36.6	176.2	-80.8	167.9	0	0	0	112.6	Y405 L408 E409 L412 F539 R638 W639 I640 S644 K645 L646	Y405-L642 HydrophobicContact CD1-CD1 3.48Å; Y405-L642 VanDerWaalsContact CD1-CD1 3.48Å; Y405-L642 HydrophobicContact CE1-CD1 4.35Å; Y405-L642 HydrophobicContact CG-CD1 4.07Å; L408-L642 HydrophobicContact CB-CD1 4.15Å; L408-L642 HydrophobicContact CB-CD2 4.03Å; L408-L642 HydrophobicContact CD1-CD1 4.38Å; E409-L642 HydrophobicContact CG-CD1 4.28Å; E409-L642 HydrophobicContact CG-CD2 3.81Å; E409-L642 HydrophobicContact CG-CG 4.09Å; L412-L642 HydrophobicContact CD1-CD2 3.54Å; F539-L642 HydrophobicContact CE1-CB 4.1Å; F539-L642 HydrophobicContact CE2-CB 3.98Å; F539-L642 HydrophobicContact CE2-CD1 4.47Å; F539-L642 HydrophobicContact CZ-CB 3.54Å; R638-L642 WeakPolarHBondContact O-CG 3.25Å; R638-L642 PolarHBondContact O-N 2.89Å; W639-L642 PolarHBondContact O-N 2.72Å; I640-L642 PolarHBondContact O-N 2.77Å; L642-S644 PolarHBondContact O-N 2.87Å; L642-K645 PolarHBondContact O-N 2.91Å; L642-L646 HydrophobicContact CB-CD1 4.41Å; L642-L646 HydrophobicContact CD2-CD1 4Å; L642-L646 VanDerWaalsContact O-CB 3.3Å; L642-L646 WeakPolarHBondContact O-CB 3.34Å; L642-L646 PolarHBondContact O-N 2.92Å
643	H	87	Confident	84.5	Confident	9 Å²	9	45 Å²	45	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-45.9	-180	-175.2	-90.6	0	0	0	111.7	Y538 F539 W639 I640 K645 L646 S647	Y538-H643 AromaticContact CE1-NE2 3.99Å; F539-H643 HydrophobicContact CZ-CB 4.43Å; W639-H643 HydrophobicContact CE3-CB 4.3Å; W639-H643 HydrophobicContact CH2-CB 4.15Å; W639-H643 AromaticContact CH2-CD2 3.3Å; W639-H643 WeakPolarHBondContact CH2-CD2 3.46Å; W639-H643 AromaticContact CH2-CG 3.75Å; W639-H643 AromaticContact CH2-NE2 3.84Å; W639-H643 HydrophobicContact CZ2-CB 4.39Å; W639-H643 AromaticContact CZ2-CD2 3.49Å; W639-H643 VanDerWaalsContact CZ2-CD2 3.49Å; W639-H643 WeakPolarHBondContact CZ2-CD2 3.24Å; W639-H643 HydrophobicContact CZ3-CB 4.11Å; W639-H643 VanDerWaalsContact O-CB 3.28Å; W639-H643 WeakPolarHBondContact O-CB 3.49Å; W639-H643 PolarHBondContact O-N 3.27Å; I640-H643 PolarHBondContact O-N 3.45Å; H643-K645 VanDerWaalsContact C-N 3.35Å; H643-K645 PolarHBondContact O-N 3.42Å; H643-L646 PolarHBondContact O-N 3.27Å; H643-S647 PolarHBondContact O-N 3.04Å; H643-S647 VanDerWaalsContact O-N 3.13Å
644	S	84.4	Confident	83.3	Confident	57 Å²	57	45.4 Å²	45.4	40%	0.399	25%	0.248	S	C	.	.	H	α-helix	trans	-57.8	-43.9	174	49.3	0	0	0	0	112.5	I640 D641 L642 S647	I640-S644 PolarHBondContact O-N 3.34Å; I640-S644 VanDerWaalsContact O-N 3.09Å; I640-S644 PolarHBondContact O-OG 2.91Å; D641-S644 PolarHBondContact O-OG 3.14Å; L642-S644 PolarHBondContact O-N 2.87Å; S644-S647 PolarHBondContact O-OG 2.82Å
645	K	84.2	Confident	82	Confident	131 Å²	131	51.9 Å²	51.9	57%	0.57	28%	0.278	S	S	*	.	H	α-helix	trans	-78.4	-27.6	-177.4	-62.9	-178.3	-173.4	79	0	114.6	L412 D641 L642 H643	L412-K645 HydrophobicContact CD1-CB 4.16Å; D641-K645 VanDerWaalsContact O-CD 3.32Å; D641-K645 WeakPolarHBondContact O-CD 3.45Å; D641-K645 VanDerWaalsContact O-CG 3.28Å; D641-K645 WeakPolarHBondContact O-CG 3.45Å; D641-K645 PolarHBondContact O-NZ 2.99Å; L642-K645 PolarHBondContact O-N 2.91Å; H643-K645 VanDerWaalsContact C-N 3.35Å; H643-K645 PolarHBondContact O-N 3.42Å
646	L	78.5	Confident	80.8	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-105.8	8	-175.8	-76.1	165.6	0	0	0	114	L412 F433 F539 L642 H643 S648 T649 L650	L412-L646 HydrophobicContact CD1-CD1 4.12Å; L412-L646 HydrophobicContact CD1-CD2 4.26Å; L412-L646 HydrophobicContact CD1-CG 3.93Å; L412-L646 HydrophobicContact CD2-CD2 3.7Å; L412-L646 HydrophobicContact CD2-CG 4.19Å; L412-L646 HydrophobicContact CG-CD2 4.25Å; L412-L646 HydrophobicContact CG-CG 4.46Å; F433-L646 HydrophobicContact CE2-CD1 4.11Å; F433-L646 HydrophobicContact CE2-CD2 3.74Å; F433-L646 HydrophobicContact CZ-CD2 3.66Å; F539-L646 HydrophobicContact CD1-CB 4.21Å; F539-L646 HydrophobicContact CD1-CD1 3.56Å; F539-L646 HydrophobicContact CE1-CB 4.07Å; F539-L646 HydrophobicContact CE1-CD1 3.78Å; F539-L646 HydrophobicContact CG-CD1 4.29Å; L642-L646 HydrophobicContact CB-CD1 4.41Å; L642-L646 HydrophobicContact CD2-CD1 4Å; L642-L646 VanDerWaalsContact O-CB 3.3Å; L642-L646 WeakPolarHBondContact O-CB 3.34Å; L642-L646 PolarHBondContact O-N 2.92Å; H643-L646 PolarHBondContact O-N 3.27Å; L646-S648 PolarHBondContact O-N 3.4Å; L646-T649 WeakPolarHBondContact O-CA 3.41Å; L646-T649 PolarHBondContact O-N 2.8Å; L646-L650 HydrophobicContact CB-CD2 3.78Å; L646-L650 WeakPolarHBondContact O-CD2 3.16Å; L646-L650 WeakPolarHBondContact O-CG 3.47Å; L646-L650 PolarHBondContact O-N 3.15Å
647	S	71.9	Confident	79.8	Confident	70 Å²	70	58.3 Å²	58.3	49%	0.49	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-38	-170.2	50.5	0	0	0	0	115.4	H643 S644	H643-S647 PolarHBondContact O-N 3.04Å; H643-S647 VanDerWaalsContact O-N 3.13Å; S644-S647 PolarHBondContact O-OG 2.82Å
648	S	69.8	Low	79.3	Confident	99 Å²	99	66.5 Å²	66.5	69%	0.692	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-24.2	176.5	58.1	0	0	0	0	114.9	L646	L646-S648 PolarHBondContact O-N 3.4Å
649	T	76.3	Confident	79.1	Confident	39 Å²	39	65.8 Å²	65.8	24%	0.239	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	2.6	-174.6	-41	0	0	0	0	112.8	G432 F433 L646	G432-T649 WeakPolarHBondContact CA-O 3.45Å; G432-T649 PolarHBondContact N-O 2.96Å; F433-T649 HydrophobicContact CE2-CG2 4.45Å; F433-T649 HydrophobicContact CZ-CG2 4.04Å; L646-T649 WeakPolarHBondContact O-CA 3.41Å; L646-T649 PolarHBondContact O-N 2.8Å
650	L	79.2	Confident	79	Confident	6 Å²	6	66.7 Å²	66.7	3%	0.031	34%	0.341	C	S	.	.			trans	-66.6	144.1	-176.4	-55.6	-177.9	0	0	0	113	Y538 F539 L646 I652	Y538-L650 HydrophobicContact CD1-CD1 4.37Å; F539-L650 HydrophobicContact CD1-CD2 3.56Å; F539-L650 HydrophobicContact CE1-CD2 3.46Å; F539-L650 VanDerWaalsContact CE1-CD2 3.46Å; L646-L650 HydrophobicContact CB-CD2 3.78Å; L646-L650 WeakPolarHBondContact O-CD2 3.16Å; L646-L650 WeakPolarHBondContact O-CG 3.47Å; L646-L650 PolarHBondContact O-N 3.15Å; L650-I652 VanDerWaalsContact C-N 3.31Å; L650-I652 WeakPolarHBondContact CB-O 3.35Å
651	R	78.8	Confident	79	Confident	79 Å²	79	66.9 Å²	66.9	30%	0.298	34%	0.341	S	S	.	.	S	Bend	trans	-76.3	-20.6	170.2	-57	-178.1	56	68.6	4.6	113.1	Q431 Y538	Q431-R651 PolarHBondContact O-NH1 3.05Å; Q431-R651 VanDerWaalsContact O-NH1 3.1Å; Y538-R651 WeakPolarHBondContact O-CB 3.36Å; Y538-R651 WeakPolarHBondContact O-CG 3.36Å; Y538-R651 PolarHBondContact O-N 3.14Å
652	I	80.1	Confident	79	Confident	32 Å²	32	67.9 Å²	67.9	16%	0.164	34%	0.343	C	S	.	.	S	Bend	trans	-128.2	107.4	179.4	-62.7	164.5	0	0	0	105.8	Y538 L650 T654 A667	Y538-I652 HydrophobicContact CD1-CB 3.71Å; Y538-I652 HydrophobicContact CD1-CG2 4.08Å; Y538-I652 WeakPolarHBondContact CD1-O 3.49Å; Y538-I652 HydrophobicContact CD2-CB 4.42Å; Y538-I652 HydrophobicContact CD2-CD1 3.81Å; Y538-I652 HydrophobicContact CE1-CB 3.76Å; Y538-I652 HydrophobicContact CE1-CG2 3.57Å; Y538-I652 HydrophobicContact CE2-CB 4.47Å; Y538-I652 HydrophobicContact CE2-CD1 4.02Å; Y538-I652 HydrophobicContact CE2-CG2 4.26Å; Y538-I652 HydrophobicContact CG-CB 4.06Å; Y538-I652 HydrophobicContact CG-CD1 4.12Å; L650-I652 VanDerWaalsContact C-N 3.31Å; L650-I652 WeakPolarHBondContact CB-O 3.35Å; I652-T654 HydrophobicContact CG2-CG2 4.09Å; I652-A667 HydrophobicContact CD1-CB 3.99Å
653	Q	70.9	Confident	79.1	Confident	141 Å²	141	67.9 Å²	67.9	66%	0.659	34%	0.343	S	S	*	.			trans	-90.6	105.4	176.3	-67.5	-179.7	-8.1	0	0	108.7
654	T	67.8	Low	79.2	Confident	55 Å²	55	68.7 Å²	68.7	34%	0.337	35%	0.347	S	S	.	.			trans	-131.9	149.4	171.4	48.4	0	0	0	0	109.6	Y538 I652 A666	Y538-T654 WeakPolarHBondContact CE1-OG1 3.38Å; Y538-T654 PolarHBondContact OH-OG1 2.99Å; Y538-T654 VanDerWaalsContact OH-OG1 3.11Å; I652-T654 HydrophobicContact CG2-CG2 4.09Å; T654-A666 HydrophobicContact CG2-CB 3.93Å
655	L	67.4	Low	79.4	Confident	165 Å²	165	70.6 Å²	70.6	86%	0.864	35%	0.35	S	S	*	.	S	Bend	trans	-57.4	157.2	164.5	-72.6	86.2	0	0	0	109.8	P657	L655-P657 WeakPolarHBondContact O-CD 3.4Å; L655-P657 VanDerWaalsContact O-N 3.16Å
656	E	68.8	Low	79.6	Confident	133 Å²	133	66.1 Å²	66.1	62%	0.621	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-56.7	119.6	-173.7	-62.6	-159.5	126.3	0	0	111.8	R658	E656-R658 PolarHBondContact O-N 2.77Å
657	P	71.4	Confident	80	Confident	18 Å²	18	65.9 Å²	65.9	12%	0.117	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-73.8	125.1	-173.8	27.8	-33.5	0	0	0	110.8	Y636 W639 L655 S659 E662 A663	Y636-P657 PolarHBondContact OH-O 2.71Å; W639-P657 HydrophobicContact CH2-CG 3.63Å; W639-P657 HydrophobicContact CZ3-CG 3.68Å; L655-P657 WeakPolarHBondContact O-CD 3.4Å; L655-P657 VanDerWaalsContact O-N 3.16Å; P657-S659 PolarHBondContact O-N 2.85Å; P657-E662 HydrophobicContact CB-CB 4.36Å; P657-E662 HydrophobicContact CB-CG 4.07Å; P657-A663 HydrophobicContact CB-CB 3.67Å; P657-A663 HydrophobicContact CG-CB 3.44Å; P657-A663 VanDerWaalsContact CG-CB 3.44Å
658	R	80.4	Confident	80.7	Confident	209 Å²	209	65.9 Å²	65.9	79%	0.789	34%	0.34	S	S	*	.	S	Bend	trans	-69.6	-21.6	-175.9	-60.2	178.2	176.7	-173.3	-2	112.3	E656 E662 S700	E656-R658 PolarHBondContact O-N 2.77Å; R658-E662 WeakPolarHBondContact CA-OE2 3.39Å; R658-E662 WeakPolarHBondContact CB-OE2 3.42Å; R658-E662 PolarHBondContact N-OE2 2.97Å; R658-S700 VanDerWaalsContact O-CB 3.22Å; R658-S700 WeakPolarHBondContact O-CB 3.46Å; R658-S700 PolarHBondContact O-OG 2.65Å
659	S	87.1	Confident	81.4	Confident	27 Å²	27	66.2 Å²	66.2	19%	0.189	33%	0.331	C	S	.	.	S	Bend	trans	-136	153.4	178.1	70.2	0	0	0	0	113.9	P657 H661 E662 A663	P657-S659 PolarHBondContact O-N 2.85Å; S659-H661 PolarHBondContact O-N 3.12Å; S659-E662 PolarHBondContact N-OE2 2.97Å; S659-E662 PolarHBondContact O-N 3.25Å; S659-E662 VanDerWaalsContact OG-CB 3.23Å; S659-E662 WeakPolarHBondContact OG-CB 3.4Å; S659-E662 PolarHBondContact OG-N 3.38Å; S659-A663 WeakPolarHBondContact O-CB 3.48Å; S659-A663 PolarHBondContact O-N 3.5Å
660	Y	90.1	Very high	81.9	Confident	19 Å²	19	64.5 Å²	64.5	8%	0.075	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.6	174.2	179.7	-113.5	0	0	0	113.6	L535 K632 Y636 K664 D697 F699	L535-Y660 HydrophobicContact CD1-CD2 4.06Å; L535-Y660 HydrophobicContact CD1-CE2 3.54Å; K632-Y660 HydrophobicContact CB-CE1 3.84Å; K632-Y660 HydrophobicContact CD-CE1 3.9Å; K632-Y660 HydrophobicContact CG-CE1 4.19Å; Y636-Y660 AromaticContact CD1-CD2 3.9Å; Y636-Y660 HydrophobicContact CD1-CD2 3.9Å; Y636-Y660 HydrophobicContact CD1-CG 4.43Å; Y636-Y660 AromaticContact CD2-CD2 3.56Å; Y636-Y660 HydrophobicContact CD2-CD2 3.56Å; Y636-Y660 HydrophobicContact CD2-CE2 4.14Å; Y636-Y660 HydrophobicContact CE1-CD2 4.4Å; Y636-Y660 HydrophobicContact CE2-CD2 4.08Å; Y636-Y660 AromaticContact CG-CD2 3.45Å; Y636-Y660 HydrophobicContact CG-CD2 3.45Å; Y636-Y660 VanDerWaalsContact CG-CD2 3.45Å; Y636-Y660 HydrophobicContact CG-CE2 4.06Å; Y636-Y660 HydrophobicContact CG-CG 4.39Å; Y660-K664 VanDerWaalsContact CE1-CE 3.45Å; Y660-K664 WeakPolarHBondContact O-CD 3.09Å; Y660-K664 WeakPolarHBondContact O-CG 3.48Å; Y660-K664 PolarHBondContact OH-NZ 3.3Å; Y660-D697 CarbonylContact C-O 3.58Å; Y660-D697 HydrophobicContact CD1-CB 4.11Å; Y660-D697 WeakPolarHBondContact CE1-OD1 3.32Å; Y660-F699 WeakPolarHBondContact CB-O 3.44Å; Y660-F699 HydrophobicContact CD1-CD1 4.07Å; Y660-F699 AromaticContact CD1-CE1 3.19Å; Y660-F699 HydrophobicContact CD1-CE1 3.19Å; Y660-F699 HydrophobicContact CD1-CE2 4.28Å; Y660-F699 AromaticContact CD1-CZ 3.32Å; Y660-F699 HydrophobicContact CD1-CZ 3.32Å; Y660-F699 HydrophobicContact CD2-CE2 4.42Å; Y660-F699 AromaticContact CD2-CZ 3.95Å; Y660-F699 HydrophobicContact CD2-CZ 3.95Å; Y660-F699 AromaticContact CE1-CE1 3.69Å; Y660-F699 HydrophobicContact CE1-CE1 3.69Å; Y660-F699 AromaticContact CE1-CZ 3.74Å; Y660-F699 HydrophobicContact CE1-CZ 3.74Å; Y660-F699 HydrophobicContact CE2-CZ 4.32Å; Y660-F699 HydrophobicContact CG-CD1 4.5Å; Y660-F699 AromaticContact CG-CE1 3.73Å; Y660-F699 HydrophobicContact CG-CE1 3.73Å; Y660-F699 AromaticContact CG-CE2 3.97Å; Y660-F699 HydrophobicContact CG-CE2 3.97Å; Y660-F699 AromaticContact CG-CZ 3.41Å; Y660-F699 HydrophobicContact CG-CZ 3.41Å; Y660-F699 VanDerWaalsContact CG-CZ 3.41Å; Y660-F699 PolarHBondContact N-O 3.39Å
661	H	89.3	Confident	82.3	Confident	44 Å²	44	64.9 Å²	64.9	20%	0.204	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-52.1	171.8	-168.5	107.6	0	0	0	110.8	S659 K664 Q665 D697 Q698	S659-H661 PolarHBondContact O-N 3.12Å; H661-K664 WeakPolarHBondContact O-CB 3.44Å; H661-K664 PolarHBondContact O-N 2.93Å; H661-K664 VanDerWaalsContact O-N 3.09Å; H661-Q665 VanDerWaalsContact CD2-CG 3.48Å; H661-Q665 WeakPolarHBondContact CD2-CG 2.91Å; H661-Q665 PolarHBondContact NE2-NE2 2.61Å; H661-Q665 WeakPolarHBondContact O-CG 3.38Å; H661-Q665 PolarHBondContact O-N 2.84Å; H661-D697 HydrophobicContact CB-CB 4.28Å; H661-D697 WeakPolarHBondContact CB-O 3.31Å; H661-D697 PolarHBondContact N-O 3.02Å; H661-Q698 HydrophobicContact CB-CG 4.4Å
662	E	88.6	Confident	82.7	Confident	87 Å²	87	63.5 Å²	63.5	41%	0.407	32%	0.324	S	S	.	.	H	α-helix	trans	-58.5	-47.5	178.7	179.9	178.6	-147.2	0	0	111.9	P657 R658 S659 K664 Q665 A666	P657-E662 HydrophobicContact CB-CB 4.36Å; P657-E662 HydrophobicContact CB-CG 4.07Å; R658-E662 WeakPolarHBondContact CA-OE2 3.39Å; R658-E662 WeakPolarHBondContact CB-OE2 3.42Å; R658-E662 PolarHBondContact N-OE2 2.97Å; S659-E662 PolarHBondContact N-OE2 2.97Å; S659-E662 PolarHBondContact O-N 3.25Å; S659-E662 VanDerWaalsContact OG-CB 3.23Å; S659-E662 WeakPolarHBondContact OG-CB 3.4Å; S659-E662 PolarHBondContact OG-N 3.38Å; E662-K664 PolarHBondContact O-N 3.02Å; E662-Q665 PolarHBondContact O-N 3.26Å; E662-A666 PolarHBondContact O-N 3.37Å; E662-A666 VanDerWaalsContact O-N 3.12Å
663	A	88.4	Confident	82.9	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-54.4	-28.6	174.9	0	0	0	0	0	113.3	L535 Y538 Y636 W639 P657 S659	L535-A663 HydrophobicContact CD2-CB 3.73Å; L535-A663 WeakPolarHBondContact CD2-O 3.33Å; Y538-A663 WeakPolarHBondContact CE2-O 3.5Å; Y636-A663 HydrophobicContact CE2-CB 3.72Å; W639-A663 HydrophobicContact CH2-CB 4.33Å; W639-A663 HydrophobicContact CZ3-CB 4.33Å; P657-A663 HydrophobicContact CB-CB 3.67Å; P657-A663 HydrophobicContact CG-CB 3.44Å; P657-A663 VanDerWaalsContact CG-CB 3.44Å; S659-A663 WeakPolarHBondContact O-CB 3.48Å; S659-A663 PolarHBondContact O-N 3.5Å
664	K	89.5	Confident	83.5	Confident	26 Å²	26	57.2 Å²	57.2	11%	0.113	29%	0.293	C	S	.	.	H	α-helix	trans	-80.9	-48	172.1	-69.7	169.4	175	167.3	0	111.8	S534 L535 Y660 H661 E662 A666 A667 H671 D697	S534-K664 WeakPolarHBondContact OG-CG 3.45Å; L535-K664 HydrophobicContact CD2-CG 4.1Å; L535-K664 HydrophobicContact CG-CG 4.2Å; Y660-K664 VanDerWaalsContact CE1-CE 3.45Å; Y660-K664 WeakPolarHBondContact O-CD 3.09Å; Y660-K664 WeakPolarHBondContact O-CG 3.48Å; Y660-K664 PolarHBondContact OH-NZ 3.3Å; H661-K664 WeakPolarHBondContact O-CB 3.44Å; H661-K664 PolarHBondContact O-N 2.93Å; H661-K664 VanDerWaalsContact O-N 3.09Å; E662-K664 PolarHBondContact O-N 3.02Å; K664-A666 VanDerWaalsContact C-N 3.26Å; K664-A666 PolarHBondContact O-N 2.65Å; K664-A667 VanDerWaalsContact O-CB 3.31Å; K664-A667 WeakPolarHBondContact O-CB 3.45Å; K664-A667 PolarHBondContact O-N 3.33Å; K664-H671 PolarHBondContact O-CD2 3.12Å; K664-D697 IonicContact NZ-OD1 2.66Å; K664-D697 PolarHBondContact NZ-OD1 3.12Å; K664-D697 IonicContact NZ-OD2 2.96Å; K664-D697 PolarHBondContact NZ-OD2 3.29Å
665	Q	88.4	Confident	84.5	Confident	98 Å²	98	59.7 Å²	59.7	46%	0.458	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-36	-171	-66.6	-71.5	24.4	0	0	112.5	H661 E662 A667 A668 H671	H661-Q665 VanDerWaalsContact CD2-CG 3.48Å; H661-Q665 WeakPolarHBondContact CD2-CG 2.91Å; H661-Q665 PolarHBondContact NE2-NE2 2.61Å; H661-Q665 WeakPolarHBondContact O-CG 3.38Å; H661-Q665 PolarHBondContact O-N 2.84Å; E662-Q665 PolarHBondContact O-N 3.26Å; Q665-A667 PolarHBondContact O-N 2.8Å; Q665-A667 VanDerWaalsContact O-N 3.12Å; Q665-A668 PolarHBondContact O-N 2.95Å; Q665-H671 PolarHBondContact OE1-CD2 2.78Å; Q665-H671 VanDerWaalsContact OE1-CD2 3.25Å
666	A	88.2	Confident	85.3	Confident	36 Å²	36	52.2 Å²	52.2	30%	0.298	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-20.8	173.2	0	0	0	0	0	114.5	Y538 T654 E662 K664 A668	Y538-A666 WeakPolarHBondContact OH-CB 3.35Å; T654-A666 HydrophobicContact CG2-CB 3.93Å; E662-A666 PolarHBondContact O-N 3.37Å; E662-A666 VanDerWaalsContact O-N 3.12Å; K664-A666 VanDerWaalsContact C-N 3.26Å; K664-A666 PolarHBondContact O-N 2.65Å; A666-A668 PolarHBondContact O-N 3.22Å
667	A	87.2	Confident	85.9	Confident	1 Å²	1	46 Å²	46	1%	0.008	23%	0.233	C	C	.	.			trans	-75.3	60.9	166.5	0	0	0	0	0	111.6	I652 K664 Q665 Q669 Y670 H671	I652-A667 HydrophobicContact CD1-CB 3.99Å; K664-A667 VanDerWaalsContact O-CB 3.31Å; K664-A667 WeakPolarHBondContact O-CB 3.45Å; K664-A667 PolarHBondContact O-N 3.33Å; Q665-A667 PolarHBondContact O-N 2.8Å; Q665-A667 VanDerWaalsContact O-N 3.12Å; A667-Q669 PolarHBondContact O-N 3.36Å; A667-Y670 WeakPolarHBondContact O-CB 3.35Å; A667-Y670 PolarHBondContact O-N 2.96Å; A667-Y670 VanDerWaalsContact O-N 3.09Å; A667-H671 PolarHBondContact O-N 2.89Å
668	A	86.9	Confident	86.5	Confident	69 Å²	69	46.6 Å²	46.6	57%	0.57	23%	0.234	S	C	*	.	H	α-helix	trans	-56.6	-45	-171.1	0	0	0	0	0	113.1	Q665 A666 Y670 H671 S672	Q665-A668 PolarHBondContact O-N 2.95Å; A666-A668 PolarHBondContact O-N 3.22Å; A668-Y670 PolarHBondContact O-N 3.09Å; A668-H671 PolarHBondContact O-N 3.13Å; A668-H671 VanDerWaalsContact O-N 3.14Å; A668-S672 PolarHBondContact O-N 3.23Å
669	Q	84.9	Confident	86.7	Confident	107 Å²	107	41.9 Å²	41.9	50%	0.5	22%	0.216	S	C	.	.	H	α-helix	trans	-58.1	-45.5	176.6	-65.2	179.7	-18.5	0	0	111.8	F577 A667 H671 S672 A673	F577-Q669 HydrophobicContact CE2-CB 3.98Å; A667-Q669 PolarHBondContact O-N 3.36Å; Q669-H671 VanDerWaalsContact C-N 3.29Å; Q669-H671 PolarHBondContact O-N 3.23Å; Q669-S672 PolarHBondContact O-N 2.92Å; Q669-A673 PolarHBondContact O-N 3.39Å; Q669-A673 VanDerWaalsContact O-N 3.13Å
670	Y	86.3	Confident	86.6	Confident	3 Å²	3	40.8 Å²	40.8	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-36.5	177.9	178.1	-79.5	0	0	0	111.5	R525 V529 F577 A667 A668 K674	R525-Y670 PolarHBondContact NE-OH 3.29Å; R525-Y670 PolarHBondContact NH2-OH 2.87Å; V529-Y670 HydrophobicContact CB-CD2 3.72Å; V529-Y670 HydrophobicContact CB-CE2 3.73Å; V529-Y670 HydrophobicContact CB-CG 4.41Å; V529-Y670 HydrophobicContact CG2-CD2 3.62Å; V529-Y670 HydrophobicContact CG2-CE1 4.14Å; V529-Y670 HydrophobicContact CG2-CE2 3.15Å; V529-Y670 HydrophobicContact CG2-CG 4.26Å; V529-Y670 VanDerWaalsContact CG2-CZ 3.42Å; V529-Y670 WeakPolarHBondContact O-CE2 3.39Å; F577-Y670 HydrophobicContact CZ-CD2 4.43Å; A667-Y670 WeakPolarHBondContact O-CB 3.35Å; A667-Y670 PolarHBondContact O-N 2.96Å; A667-Y670 VanDerWaalsContact O-N 3.09Å; A668-Y670 PolarHBondContact O-N 3.09Å; Y670-K674 HydrophobicContact CE1-CD 4.49Å; Y670-K674 WeakPolarHBondContact O-CB 3.38Å; Y670-K674 PolarHBondContact O-N 3.18Å
671	H	87.2	Confident	86.2	Confident	13 Å²	13	39.9 Å²	39.9	6%	0.06	21%	0.205	C	C	.	.	H	α-helix	trans	-76.4	-33.3	175.5	-72.2	-31.2	0	0	0	114.1	K664 Q665 A667 A668 Q669 K674 Q675	K664-H671 PolarHBondContact O-CD2 3.12Å; Q665-H671 PolarHBondContact OE1-CD2 2.78Å; Q665-H671 VanDerWaalsContact OE1-CD2 3.25Å; A667-H671 PolarHBondContact O-N 2.89Å; A668-H671 PolarHBondContact O-N 3.13Å; A668-H671 VanDerWaalsContact O-N 3.14Å; Q669-H671 VanDerWaalsContact C-N 3.29Å; Q669-H671 PolarHBondContact O-N 3.23Å; H671-K674 WeakPolarHBondContact CE1-CD 3.3Å; H671-K674 PolarHBondContact CE1-NZ 3.11Å; H671-K674 WeakPolarHBondContact ND1-CD 3.36Å; H671-K674 PolarHBondContact ND1-NZ 3.4Å; H671-K674 VanDerWaalsContact ND1-NZ 3.11Å; H671-K674 PolarHBondContact O-N 3.28Å; H671-Q675 WeakPolarHBondContact O-CG 3.5Å; H671-Q675 PolarHBondContact O-N 3.13Å
672	S	87.4	Confident	86	Confident	51 Å²	51	43.3 Å²	43.3	36%	0.357	22%	0.224	S	C	.	.	H	α-helix	trans	-59.3	-57.1	172.8	-177.7	0	0	0	0	111.1	A668 Q669 K674 Q675 T676	A668-S672 PolarHBondContact O-N 3.23Å; Q669-S672 PolarHBondContact O-N 2.92Å; S672-K674 VanDerWaalsContact C-N 3.27Å; S672-K674 PolarHBondContact O-N 3.15Å; S672-Q675 WeakPolarHBondContact O-CA 3.37Å; S672-Q675 WeakPolarHBondContact O-CB 3.49Å; S672-Q675 PolarHBondContact O-N 2.93Å; S672-T676 PolarHBondContact O-N 3.33Å; S672-T676 PolarHBondContact O-OG1 2.9Å
673	A	84.5	Confident	85.8	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-33.3	177.9	0	0	0	0	0	113.5	V528 V529 P574 F577 Q669 L677	V528-A673 HydrophobicContact CG1-CB 4.33Å; V529-A673 HydrophobicContact CG1-CB 3.31Å; P574-A673 HydrophobicContact CG-CB 3.87Å; F577-A673 HydrophobicContact CB-CB 4.47Å; F577-A673 HydrophobicContact CD2-CB 3.83Å; F577-A673 HydrophobicContact CE2-CB 4.37Å; F577-A673 HydrophobicContact CG-CB 4.33Å; Q669-A673 PolarHBondContact O-N 3.39Å; Q669-A673 VanDerWaalsContact O-N 3.13Å; A673-L677 WeakPolarHBondContact O-CB 3.14Å; A673-L677 PolarHBondContact O-N 2.86Å; A673-L677 VanDerWaalsContact O-N 3.09Å
674	K	84.6	Confident	85.5	Confident	39 Å²	39	47.2 Å²	47.2	17%	0.17	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-33.8	170.4	162.9	-162.9	161.7	-147.1	0	112.8	Y670 H671 S672 F678	Y670-K674 HydrophobicContact CE1-CD 4.49Å; Y670-K674 WeakPolarHBondContact O-CB 3.38Å; Y670-K674 PolarHBondContact O-N 3.18Å; H671-K674 WeakPolarHBondContact CE1-CD 3.3Å; H671-K674 PolarHBondContact CE1-NZ 3.11Å; H671-K674 WeakPolarHBondContact ND1-CD 3.36Å; H671-K674 PolarHBondContact ND1-NZ 3.4Å; H671-K674 VanDerWaalsContact ND1-NZ 3.11Å; H671-K674 PolarHBondContact O-N 3.28Å; S672-K674 VanDerWaalsContact C-N 3.27Å; S672-K674 PolarHBondContact O-N 3.15Å; K674-F678 HydrophobicContact CD-CE2 4.42Å; K674-F678 HydrophobicContact CG-CD2 4.46Å; K674-F678 HydrophobicContact CG-CE1 4.42Å; K674-F678 HydrophobicContact CG-CE2 3.77Å; K674-F678 HydrophobicContact CG-CZ 3.74Å; K674-F678 WeakPolarHBondContact O-CD1 3.4Å; K674-F678 WeakPolarHBondContact O-CD2 3.29Å; K674-F678 VanDerWaalsContact O-CG 3.24Å; K674-F678 WeakPolarHBondContact O-CG 3.42Å; K674-F678 PolarHBondContact O-N 3.17Å
675	Q	86.7	Confident	85.2	Confident	108 Å²	108	48.7 Å²	48.7	51%	0.505	27%	0.274	S	S	.	.	H	α-helix	trans	-72.9	-47.3	174.1	-74.3	180	26.4	0	0	111.2	H671 S672 L677 F678 R679	H671-Q675 WeakPolarHBondContact O-CG 3.5Å; H671-Q675 PolarHBondContact O-N 3.13Å; S672-Q675 WeakPolarHBondContact O-CA 3.37Å; S672-Q675 WeakPolarHBondContact O-CB 3.49Å; S672-Q675 PolarHBondContact O-N 2.93Å; Q675-L677 PolarHBondContact O-N 2.95Å; Q675-F678 WeakPolarHBondContact O-CA 3.29Å; Q675-F678 PolarHBondContact O-N 3.29Å; Q675-R679 PolarHBondContact O-N 3.29Å
676	T	84.9	Confident	84.9	Confident	8 Å²	8	45.2 Å²	45.2	5%	0.049	26%	0.259	C	S	.	.	H	α-helix	trans	-51.6	-43.3	174.4	-53.3	0	0	0	0	111	M570 E571 L573 S672 F678 R679 A680	M570-T676 HydrophobicContact CE-CG2 4.36Å; E571-T676 HydrophobicContact CB-CG2 3.79Å; L573-T676 HydrophobicContact CD2-CG2 4.28Å; S672-T676 PolarHBondContact O-N 3.33Å; S672-T676 PolarHBondContact O-OG1 2.9Å; T676-F678 PolarHBondContact O-N 3.35Å; T676-R679 WeakPolarHBondContact O-CB 3.45Å; T676-R679 PolarHBondContact O-N 3.43Å; T676-A680 PolarHBondContact O-N 3.11Å
677	L	81.6	Confident	84.7	Confident	3 Å²	3	44.4 Å²	44.4	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-42.8	172.8	176.6	59.7	0	0	0	114.2	S521 K524 R525 L567 M570 A673 Q675 R679 A680 F681	S521-L677 WeakPolarHBondContact O-CD2 3.35Å; K524-L677 HydrophobicContact CB-CD1 3.25Å; K524-L677 HydrophobicContact CB-CD2 3.36Å; K524-L677 HydrophobicContact CB-CG 3.88Å; K524-L677 HydrophobicContact CD-CD1 3.84Å; K524-L677 HydrophobicContact CG-CD1 3.76Å; R525-L677 HydrophobicContact CB-CD2 4.01Å; L567-L677 HydrophobicContact CD1-CD1 3.95Å; M570-L677 HydrophobicContact CE-CB 4.35Å; M570-L677 HydrophobicContact CE-CD1 4.2Å; M570-L677 HydrophobicContact SD-CD1 4.21Å; A673-L677 WeakPolarHBondContact O-CB 3.14Å; A673-L677 PolarHBondContact O-N 2.86Å; A673-L677 VanDerWaalsContact O-N 3.09Å; Q675-L677 PolarHBondContact O-N 2.95Å; L677-R679 VanDerWaalsContact C-N 3.26Å; L677-R679 PolarHBondContact O-N 3.17Å; L677-A680 WeakPolarHBondContact O-CB 3.38Å; L677-A680 PolarHBondContact O-N 2.8Å; L677-F681 HydrophobicContact CD1-CD2 3.8Å; L677-F681 HydrophobicContact CD1-CE2 3.56Å; L677-F681 HydrophobicContact CD2-CE2 4.35Å; L677-F681 HydrophobicContact CG-CD2 4.03Å; L677-F681 HydrophobicContact CG-CE2 3.91Å; L677-F681 WeakPolarHBondContact O-CD2 3.49Å; L677-F681 PolarHBondContact O-N 3.19Å; L677-F681 VanDerWaalsContact O-N 3.1Å
678	F	84.7	Confident	84.7	Confident	30 Å²	30	46 Å²	46	13%	0.132	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-29.4	178.3	-62.9	-19.6	0	0	0	111.9	K674 Q675 T676 W689	K674-F678 HydrophobicContact CD-CE2 4.42Å; K674-F678 HydrophobicContact CG-CD2 4.46Å; K674-F678 HydrophobicContact CG-CE1 4.42Å; K674-F678 HydrophobicContact CG-CE2 3.77Å; K674-F678 HydrophobicContact CG-CZ 3.74Å; K674-F678 WeakPolarHBondContact O-CD1 3.4Å; K674-F678 WeakPolarHBondContact O-CD2 3.29Å; K674-F678 VanDerWaalsContact O-CG 3.24Å; K674-F678 WeakPolarHBondContact O-CG 3.42Å; K674-F678 PolarHBondContact O-N 3.17Å; Q675-F678 WeakPolarHBondContact O-CA 3.29Å; Q675-F678 PolarHBondContact O-N 3.29Å; T676-F678 PolarHBondContact O-N 3.35Å; F678-W689 HydrophobicContact CD1-CB 3.58Å; F678-W689 HydrophobicContact CD1-CD2 4.34Å; F678-W689 AromaticContact CD1-CG 3.71Å; F678-W689 HydrophobicContact CD1-CG 3.71Å; F678-W689 HydrophobicContact CE1-CB 3.74Å; F678-W689 AromaticContact CE1-CD1 3.46Å; F678-W689 VanDerWaalsContact CE1-CD1 3.46Å; F678-W689 AromaticContact CE1-CD2 3.7Å; F678-W689 HydrophobicContact CE1-CD2 3.7Å; F678-W689 AromaticContact CE1-CG 3.29Å; F678-W689 HydrophobicContact CE1-CG 3.29Å; F678-W689 AromaticContact CE1-NE1 3.88Å; F678-W689 AromaticContact CE2-CD1 3.95Å; F678-W689 HydrophobicContact CE2-CG 4.41Å; F678-W689 HydrophobicContact CG-CB 4.04Å; F678-W689 HydrophobicContact CG-CG 4.43Å; F678-W689 HydrophobicContact CZ-CB 4.3Å; F678-W689 AromaticContact CZ-CD1 3.32Å; F678-W689 HydrophobicContact CZ-CD2 4.28Å; F678-W689 AromaticContact CZ-CG 3.69Å; F678-W689 HydrophobicContact CZ-CG 3.69Å; F678-W689 AromaticContact CZ-NE1 3.67Å
679	R	84.9	Confident	84.7	Confident	109 Å²	109	44.3 Å²	44.3	41%	0.411	25%	0.246	S	C	.	.	H	α-helix	trans	-64.9	-48.1	166.9	-57.9	-175.5	-148.8	128.5	3.2	110.8	E571 Q675 T676 L677 F681 L682 Q683	E571-R679 IonicContact OE2-CZ 3.74Å; E571-R679 IonicContact OE2-NH1 2.77Å; E571-R679 PolarHBondContact OE2-NH1 3.07Å; Q675-R679 PolarHBondContact O-N 3.29Å; T676-R679 WeakPolarHBondContact O-CB 3.45Å; T676-R679 PolarHBondContact O-N 3.43Å; L677-R679 VanDerWaalsContact C-N 3.26Å; L677-R679 PolarHBondContact O-N 3.17Å; R679-F681 VanDerWaalsContact C-N 3.33Å; R679-F681 PolarHBondContact O-N 3.22Å; R679-L682 CarbonylContact O-C 3.15Å; R679-L682 WeakPolarHBondContact O-CA 3.49Å; R679-L682 WeakPolarHBondContact O-CB 3.12Å; R679-L682 PolarHBondContact O-N 2.95Å; R679-Q683 WeakPolarHBondContact O-CG 3.47Å; R679-Q683 PolarHBondContact O-N 3.49Å; R679-Q683 PolarHBondContact O-OE1 3.04Å
680	A	83.5	Confident	84.8	Confident	4 Å²	4	40 Å²	40	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-57.6	-40.1	-178.2	0	0	0	0	0	113.7	L567 M570 T676 L677 L682 Q683 A684	L567-A680 HydrophobicContact CD2-CB 3.97Å; M570-A680 HydrophobicContact CE-CB 4.02Å; M570-A680 HydrophobicContact CG-CB 3.6Å; M570-A680 HydrophobicContact SD-CB 3.96Å; T676-A680 PolarHBondContact O-N 3.11Å; L677-A680 WeakPolarHBondContact O-CB 3.38Å; L677-A680 PolarHBondContact O-N 2.8Å; A680-L682 VanDerWaalsContact C-N 3.3Å; A680-L682 PolarHBondContact O-N 3.18Å; A680-Q683 VanDerWaalsContact CA-OE1 3.27Å; A680-A684 VanDerWaalsContact O-CB 3.23Å; A680-A684 WeakPolarHBondContact O-CB 3.23Å; A680-A684 PolarHBondContact O-N 3.08Å
681	F	82.9	Confident	84.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-33.3	172.5	-83.9	-76.1	0	0	0	113.5	L479 S521 L567 L677 R679 L686	L479-F681 HydrophobicContact CD1-CB 4.2Å; L479-F681 HydrophobicContact CD1-CD1 4Å; L479-F681 HydrophobicContact CD1-CG 4.06Å; L479-F681 HydrophobicContact CD2-CD1 3.61Å; L479-F681 HydrophobicContact CD2-CE1 3.35Å; L479-F681 HydrophobicContact CD2-CE2 4.43Å; L479-F681 HydrophobicContact CD2-CG 4.27Å; L479-F681 HydrophobicContact CD2-CZ 3.79Å; L479-F681 HydrophobicContact CG-CD1 3.64Å; L479-F681 HydrophobicContact CG-CE1 3.91Å; L479-F681 HydrophobicContact CG-CG 4.22Å; S521-F681 VanDerWaalsContact CB-CZ 3.42Å; S521-F681 WeakPolarHBondContact OG-CE2 3.33Å; L567-F681 HydrophobicContact CD1-CD1 4.25Å; L567-F681 HydrophobicContact CD1-CD2 4.16Å; L567-F681 HydrophobicContact CD1-CE1 3.77Å; L567-F681 HydrophobicContact CD1-CE2 3.65Å; L567-F681 HydrophobicContact CD1-CG 4.44Å; L567-F681 HydrophobicContact CD1-CZ 3.46Å; L567-F681 VanDerWaalsContact CD1-CZ 3.46Å; L567-F681 HydrophobicContact CD2-CD1 4.08Å; L567-F681 HydrophobicContact CD2-CD2 4.41Å; L567-F681 HydrophobicContact CD2-CE1 4.39Å; L567-F681 HydrophobicContact CD2-CG 4.1Å; L567-F681 HydrophobicContact CG-CE1 4.39Å; L677-F681 HydrophobicContact CD1-CD2 3.8Å; L677-F681 HydrophobicContact CD1-CE2 3.56Å; L677-F681 HydrophobicContact CD2-CE2 4.35Å; L677-F681 HydrophobicContact CG-CD2 4.03Å; L677-F681 HydrophobicContact CG-CE2 3.91Å; L677-F681 WeakPolarHBondContact O-CD2 3.49Å; L677-F681 PolarHBondContact O-N 3.19Å; L677-F681 VanDerWaalsContact O-N 3.1Å; R679-F681 VanDerWaalsContact C-N 3.33Å; R679-F681 PolarHBondContact O-N 3.22Å; F681-L686 HydrophobicContact CD1-CB 3.97Å; F681-L686 HydrophobicContact CD1-CD1 3.94Å; F681-L686 HydrophobicContact CE1-CD1 4.28Å; F681-L686 WeakPolarHBondContact O-CB 3.49Å; F681-L686 PolarHBondContact O-N 3.01Å
682	L	84.3	Confident	84.7	Confident	116 Å²	116	48 Å²	48	61%	0.607	26%	0.262	S	S	*	.	H	α-helix	trans	-77.8	-44.8	179.2	-169.9	66	0	0	0	111.4	R679 A680 A684 G685	R679-L682 CarbonylContact O-C 3.15Å; R679-L682 WeakPolarHBondContact O-CA 3.49Å; R679-L682 WeakPolarHBondContact O-CB 3.12Å; R679-L682 PolarHBondContact O-N 2.95Å; A680-L682 VanDerWaalsContact C-N 3.3Å; A680-L682 PolarHBondContact O-N 3.18Å; L682-A684 PolarHBondContact O-N 2.97Å; L682-G685 PolarHBondContact O-N 3.05Å
683	Q	84.5	Confident	84.7	Confident	118 Å²	118	46 Å²	46	55%	0.551	25%	0.247	S	C	*	.	H	α-helix	trans	-57.3	-45.5	173.6	-74.2	159.3	-42.2	0	0	111.1	E571 R679 A680 G685	E571-Q683 PolarHBondContact OE1-NE2 3.13Å; R679-Q683 WeakPolarHBondContact O-CG 3.47Å; R679-Q683 PolarHBondContact O-N 3.49Å; R679-Q683 PolarHBondContact O-OE1 3.04Å; A680-Q683 VanDerWaalsContact CA-OE1 3.27Å; Q683-G685 PolarHBondContact O-N 3.45Å; Q683-G685 VanDerWaalsContact O-N 3.14Å
684	A	82.3	Confident	84.8	Confident	51 Å²	51	49.4 Å²	49.4	42%	0.421	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	7.3	176.4	0	0	0	0	0	114.6	L567 A680 L682 L686	L567-A684 HydrophobicContact CD2-CB 4.31Å; A680-A684 VanDerWaalsContact O-CB 3.23Å; A680-A684 WeakPolarHBondContact O-CB 3.23Å; A680-A684 PolarHBondContact O-N 3.08Å; L682-A684 PolarHBondContact O-N 2.97Å; A684-L686 HydrophobicContact CB-CD1 4.09Å; A684-L686 HydrophobicContact CB-CG 3.87Å; A684-L686 WeakPolarHBondContact O-CD2 3.45Å; A684-L686 WeakPolarHBondContact O-CG 3.45Å; A684-L686 PolarHBondContact O-N 2.87Å; A684-L686 VanDerWaalsContact O-N 3.16Å
685	G	82.4	Confident	84.9	Confident	58 Å²	58	51.3 Å²	51.3	60%	0.598	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	14.4	177.9	0	0	0	0	0	115.2	L682 Q683 G687	L682-G685 PolarHBondContact O-N 3.05Å; Q683-G685 PolarHBondContact O-N 3.45Å; Q683-G685 VanDerWaalsContact O-N 3.14Å; G685-G687 VanDerWaalsContact C-N 3.31Å; G685-G687 PolarHBondContact O-N 2.87Å
686	L	83.8	Confident	85	Confident	24 Å²	24	46.2 Å²	46.2	13%	0.126	25%	0.254	C	S	.	.	S	Bend	trans	-85.9	-1.2	-172.5	-55.1	-176.2	0	0	0	113.6	L479 R566 L567 F681 A684	L479-L686 WeakPolarHBondContact CB-O 3.3Å; L479-L686 PolarHBondContact N-O 3.3Å; R566-L686 HydrophobicContact CB-CD1 4.13Å; R566-L686 HydrophobicContact CG-CD1 3.99Å; R566-L686 WeakPolarHBondContact O-CD1 3.25Å; L567-L686 HydrophobicContact CD2-CD1 4.18Å; L567-L686 HydrophobicContact CG-CD1 4.46Å; F681-L686 HydrophobicContact CD1-CB 3.97Å; F681-L686 HydrophobicContact CD1-CD1 3.94Å; F681-L686 HydrophobicContact CE1-CD1 4.28Å; F681-L686 WeakPolarHBondContact O-CB 3.49Å; F681-L686 PolarHBondContact O-N 3.01Å; A684-L686 HydrophobicContact CB-CD1 4.09Å; A684-L686 HydrophobicContact CB-CG 3.87Å; A684-L686 WeakPolarHBondContact O-CD2 3.45Å; A684-L686 WeakPolarHBondContact O-CG 3.45Å; A684-L686 PolarHBondContact O-N 2.87Å; A684-L686 VanDerWaalsContact O-N 3.16Å
687	G	84.2	Confident	85.1	Confident	19 Å²	19	47.7 Å²	47.7	20%	0.196	26%	0.261	C	S	.	.			trans	98.5	168.2	178.9	0	0	0	0	0	114	L479 G685	L479-G687 WeakPolarHBondContact CD1-O 3.33Å; G685-G687 VanDerWaalsContact C-N 3.31Å; G685-G687 PolarHBondContact O-N 2.87Å
688	A	86.1	Confident	85.4	Confident	34 Å²	34	53 Å²	53	28%	0.281	29%	0.286	S	S	.	.			trans	-82.5	145.1	-177.2	0	0	0	0	0	112.8	V690	A688-V690 PolarHBondContact O-N 3.48Å
689	W	86.3	Confident	85.7	Confident	35 Å²	35	52.1 Å²	52.1	13%	0.133	28%	0.282	C	S	.	.			trans	-76.7	114.9	176	-179.4	-88	0	0	0	112.3	L479 M513 D517 S521 V522 F678 K691	L479-W689 HydrophobicContact CD1-CB 4.37Å; L479-W689 HydrophobicContact CD1-CE3 4.17Å; L479-W689 HydrophobicContact CD2-CE3 4.11Å; L479-W689 HydrophobicContact CD2-CZ3 4.26Å; M513-W689 HydrophobicContact CB-CH2 3.54Å; M513-W689 HydrophobicContact CB-CZ2 3.93Å; M513-W689 HydrophobicContact CB-CZ3 3.88Å; M513-W689 HydrophobicContact CE-CE3 3.81Å; M513-W689 HydrophobicContact CE-CZ3 3.82Å; M513-W689 HydrophobicContact CG-CD2 4.02Å; M513-W689 HydrophobicContact CG-CE3 3.97Å; M513-W689 HydrophobicContact CG-CH2 3.55Å; M513-W689 HydrophobicContact CG-CZ2 3.57Å; M513-W689 HydrophobicContact CG-CZ3 3.7Å; M513-W689 HydrophobicContact SD-CE3 4.44Å; D517-W689 HydrophobicContact CB-CZ3 4.06Å; S521-W689 WeakPolarHBondContact OG-CZ3 3.28Å; V522-W689 HydrophobicContact CG2-CH2 4.05Å; V522-W689 HydrophobicContact CG2-CZ2 4.34Å; F678-W689 HydrophobicContact CD1-CB 3.58Å; F678-W689 HydrophobicContact CD1-CD2 4.34Å; F678-W689 AromaticContact CD1-CG 3.71Å; F678-W689 HydrophobicContact CD1-CG 3.71Å; F678-W689 HydrophobicContact CE1-CB 3.74Å; F678-W689 AromaticContact CE1-CD1 3.46Å; F678-W689 VanDerWaalsContact CE1-CD1 3.46Å; F678-W689 AromaticContact CE1-CD2 3.7Å; F678-W689 HydrophobicContact CE1-CD2 3.7Å; F678-W689 AromaticContact CE1-CG 3.29Å; F678-W689 HydrophobicContact CE1-CG 3.29Å; F678-W689 AromaticContact CE1-NE1 3.88Å; F678-W689 AromaticContact CE2-CD1 3.95Å; F678-W689 HydrophobicContact CE2-CG 4.41Å; F678-W689 HydrophobicContact CG-CB 4.04Å; F678-W689 HydrophobicContact CG-CG 4.43Å; F678-W689 HydrophobicContact CZ-CB 4.3Å; F678-W689 AromaticContact CZ-CD1 3.32Å; F678-W689 HydrophobicContact CZ-CD2 4.28Å; F678-W689 AromaticContact CZ-CG 3.69Å; F678-W689 HydrophobicContact CZ-CG 3.69Å; F678-W689 AromaticContact CZ-NE1 3.67Å; W689-K691 PolarHBondContact O-N 3.09Å
690	V	86.8	Confident	85.6	Confident	17 Å²	17	50.3 Å²	50.3	10%	0.103	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-73.9	117.5	178.6	-167.1	0	0	0	0	110.9	T481 V492 Q499 L511 M513 A688	T481-V690 HydrophobicContact CG2-CG2 4.07Å; V492-V690 HydrophobicContact CG1-CG2 4.2Å; V492-V690 HydrophobicContact CG2-CG2 4.06Å; Q499-V690 VanDerWaalsContact NE2-CG1 3.33Å; L511-V690 HydrophobicContact CB-CG1 3.92Å; L511-V690 HydrophobicContact CD1-CG1 4.36Å; M513-V690 HydrophobicContact SD-CB 3.66Å; M513-V690 HydrophobicContact SD-CG2 3.85Å; A688-V690 PolarHBondContact O-N 3.48Å
691	K	86.3	Confident	85	Confident	134 Å²	134	53.3 Å²	53.3	58%	0.583	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-89.6	160.7	172.7	-59.5	170	-168.9	164	0	109.9	Q499 W689	Q499-K691 PolarHBondContact NE2-O 3.2Å; W689-K691 PolarHBondContact O-N 3.09Å
692	K	86.9	Confident	83.8	Confident	49 Å²	49	58 Å²	58	21%	0.213	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-83.6	161.9	164.8	-72.2	-59.7	179.1	-163.6	0	110.4	L510 L511 T512	L510-K692 HydrophobicContact CD1-CD 4.38Å; L511-K692 VanDerWaalsContact C-NZ 3.26Å; L511-K692 PolarHBondContact O-NZ 3.22Å; T512-K692 VanDerWaalsContact OG1-CE 3.32Å; T512-K692 WeakPolarHBondContact OG1-CE 3.43Å; T512-K692 PolarHBondContact OG1-NZ 3.21Å
693	P	86.9	Confident	81.9	Confident	9 Å²	9	62.5 Å²	62.5	6%	0.058	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-51.9	146.4	170.2	-20.1	30.5	0	0	0	110.8	Q499 T500 W501 E695	Q499-P693 HydrophobicContact CB-CG 4.15Å; Q499-P693 WeakPolarHBondContact O-CG 3.24Å; T500-P693 WeakPolarHBondContact O-CG 3.4Å; W501-P693 HydrophobicContact CB-CB 4.07Å; W501-P693 HydrophobicContact CB-CG 4.36Å; W501-P693 HydrophobicContact CE3-CB 4.33Å; W501-P693 HydrophobicContact CE3-CG 4.32Å; P693-E695 VanDerWaalsContact C-N 3.31Å; P693-E695 WeakPolarHBondContact CA-OE2 3.49Å; P693-E695 WeakPolarHBondContact CB-OE2 3.28Å
694	V	85.9	Confident	81.8	Confident	72 Å²	72	59.8 Å²	59.8	44%	0.436	35%	0.346	S	S	.	.	S	Bend	trans	-72.8	-29.1	-175.3	-66.8	0	0	0	0	112.3	Q696 D697 Q698	V694-Q696 PolarHBondContact O-N 2.85Å; V694-D697 PolarHBondContact O-N 3.2Å; V694-Q698 PolarHBondContact O-N 3.5Å
695	E	87	Confident	81.8	Confident	79 Å²	79	60.2 Å²	60.2	37%	0.369	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-51.4	-38.2	175.9	-58.7	71.4	-156.9	0	0	110.5	W501 P693 D697 Q698	W501-E695 HydrophobicContact CB-CB 4.44Å; W501-E695 HydrophobicContact CB-CG 4.29Å; W501-E695 HydrophobicContact CG-CB 4.41Å; P693-E695 VanDerWaalsContact C-N 3.31Å; P693-E695 WeakPolarHBondContact CA-OE2 3.49Å; P693-E695 WeakPolarHBondContact CB-OE2 3.28Å; E695-D697 PolarHBondContact O-N 2.76Å; E695-D697 VanDerWaalsContact O-N 3.12Å; E695-Q698 PolarHBondContact O-N 3.38Å
696	Q	88.4	Confident	81.8	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.009	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-68.8	-11	179.5	-148.3	-155	23.4	0	0	114.4	S381 N388 W501 K632 V694	S381-Q696 WeakPolarHBondContact O-CG 3.37Å; S381-Q696 PolarHBondContact O-NE2 2.92Å; N388-Q696 PolarHBondContact ND2-NE2 3.12Å; N388-Q696 PolarHBondContact ND2-OE1 3.29Å; N388-Q696 PolarHBondContact OD1-NE2 2.67Å; W501-Q696 HydrophobicContact CE3-CB 4.45Å; W501-Q696 HydrophobicContact CH2-CG 4.25Å; W501-Q696 HydrophobicContact CZ3-CB 3.95Å; W501-Q696 HydrophobicContact CZ3-CG 3.72Å; K632-Q696 PolarHBondContact NZ-O 3.47Å; V694-Q696 PolarHBondContact O-N 2.85Å
697	D	88	Confident	81.6	Confident	39 Å²	39	62.5 Å²	62.5	21%	0.209	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-109.3	-5.4	170.3	-79.9	-10.9	0	0	0	112	K632 Y660 H661 K664 V694 E695 F699	K632-D697 IonicContact NZ-OD1 2.61Å; K632-D697 PolarHBondContact NZ-OD1 2.95Å; Y660-D697 CarbonylContact C-O 3.58Å; Y660-D697 HydrophobicContact CD1-CB 4.11Å; Y660-D697 WeakPolarHBondContact CE1-OD1 3.32Å; H661-D697 HydrophobicContact CB-CB 4.28Å; H661-D697 WeakPolarHBondContact CB-O 3.31Å; H661-D697 PolarHBondContact N-O 3.02Å; K664-D697 IonicContact NZ-OD1 2.66Å; K664-D697 PolarHBondContact NZ-OD1 3.12Å; K664-D697 IonicContact NZ-OD2 2.96Å; K664-D697 PolarHBondContact NZ-OD2 3.29Å; V694-D697 PolarHBondContact O-N 3.2Å; E695-D697 PolarHBondContact O-N 2.76Å; E695-D697 VanDerWaalsContact O-N 3.12Å; D697-F699 VanDerWaalsContact C-N 3.28Å; D697-F699 PolarHBondContact O-N 3.22Å; D697-F699 VanDerWaalsContact O-N 3.08Å
698	Q	87.6	Confident	81.5	Confident	115 Å²	115	65.2 Å²	65.2	54%	0.537	35%	0.349	S	S	.	.			trans	-85.3	60.2	179.9	-71.4	173	-15.8	0	0	112	H661 V694 E695	H661-Q698 HydrophobicContact CB-CG 4.4Å; V694-Q698 PolarHBondContact O-N 3.5Å; E695-Q698 PolarHBondContact O-N 3.38Å
699	F	90.1	Very high	81.2	Confident	10 Å²	10	67.3 Å²	67.3	4%	0.044	35%	0.354	C	S	.	.			trans	-122.4	145.8	168.2	66.7	-91.6	0	0	0	111.3	D382 K632 H633 Y636 Y660 D697	D382-F699 WeakPolarHBondContact O-CD1 3.44Å; K632-F699 HydrophobicContact CB-CE1 4.05Å; K632-F699 HydrophobicContact CB-CZ 3.83Å; K632-F699 HydrophobicContact CD-CE1 4.16Å; H633-F699 HydrophobicContact CB-CE2 4.44Å; Y636-F699 HydrophobicContact CD1-CE2 4.23Å; Y660-F699 WeakPolarHBondContact CB-O 3.44Å; Y660-F699 HydrophobicContact CD1-CD1 4.07Å; Y660-F699 AromaticContact CD1-CE1 3.19Å; Y660-F699 HydrophobicContact CD1-CE1 3.19Å; Y660-F699 HydrophobicContact CD1-CE2 4.28Å; Y660-F699 AromaticContact CD1-CZ 3.32Å; Y660-F699 HydrophobicContact CD1-CZ 3.32Å; Y660-F699 HydrophobicContact CD2-CE2 4.42Å; Y660-F699 AromaticContact CD2-CZ 3.95Å; Y660-F699 HydrophobicContact CD2-CZ 3.95Å; Y660-F699 AromaticContact CE1-CE1 3.69Å; Y660-F699 HydrophobicContact CE1-CE1 3.69Å; Y660-F699 AromaticContact CE1-CZ 3.74Å; Y660-F699 HydrophobicContact CE1-CZ 3.74Å; Y660-F699 HydrophobicContact CE2-CZ 4.32Å; Y660-F699 HydrophobicContact CG-CD1 4.5Å; Y660-F699 AromaticContact CG-CE1 3.73Å; Y660-F699 HydrophobicContact CG-CE1 3.73Å; Y660-F699 AromaticContact CG-CE2 3.97Å; Y660-F699 HydrophobicContact CG-CE2 3.97Å; Y660-F699 AromaticContact CG-CZ 3.41Å; Y660-F699 HydrophobicContact CG-CZ 3.41Å; Y660-F699 VanDerWaalsContact CG-CZ 3.41Å; Y660-F699 PolarHBondContact N-O 3.39Å; D697-F699 VanDerWaalsContact C-N 3.28Å; D697-F699 PolarHBondContact O-N 3.22Å; D697-F699 VanDerWaalsContact O-N 3.08Å
700	S	83.9	Confident	80.8	Confident	72 Å²	72	69.6 Å²	69.6	50%	0.503	37%	0.369	S	S	.	.			trans	-97.1	162.8	172.7	-64	0	0	0	0	110.4	R658	R658-S700 VanDerWaalsContact O-CB 3.22Å; R658-S700 WeakPolarHBondContact O-CB 3.46Å; R658-S700 PolarHBondContact O-OG 2.65Å
701	F	70.4	Confident	80.3	Confident	67 Å²	67	73.6 Å²	73.6	29%	0.294	39%	0.39	S	S	.	.			trans	-89.2	115.1	165.5	-170.8	-103.4	0	0	0	108	H633 Y636 T637 I640 N703	H633-F701 AromaticContact CE1-CD2 3.79Å; H633-F701 AromaticContact CE1-CE2 3.72Å; Y636-F701 HydrophobicContact CE1-CB 4.38Å; T637-F701 HydrophobicContact CG2-CE2 3.86Å; T637-F701 HydrophobicContact CG2-CZ 3.97Å; T637-F701 WeakPolarHBondContact OG1-CE2 3.4Å; I640-F701 HydrophobicContact CD1-CB 3.55Å; I640-F701 HydrophobicContact CD1-CD1 4.02Å; I640-F701 HydrophobicContact CD1-CD2 4.25Å; I640-F701 HydrophobicContact CD1-CG 3.68Å; F701-N703 WeakPolarHBondContact CD1-OD1 3.22Å; F701-N703 VanDerWaalsContact CE1-OD1 3.3Å; F701-N703 WeakPolarHBondContact CE1-OD1 3.3Å
702	S	58.7	Low	79.9	Confident	97 Å²	97	68.6 Å²	68.6	68%	0.678	37%	0.374	S	S	*	.			trans	-88.1	122.2	164.6	53.4	0	0	0	0	108
703	N	44.3	Very low	79.2	Confident	212 Å²	212	70.4 Å²	70.4	100%	1.134	39%	0.388	S	S	*	.			trans	-61.8	0	168.5	-68.6	-10.7	0	0	0	111.2	F701	F701-N703 WeakPolarHBondContact CD1-OD1 3.22Å; F701-N703 VanDerWaalsContact CE1-OD1 3.3Å; F701-N703 WeakPolarHBondContact CE1-OD1 3.3Å

Retrieved 703 of 703 residues in 546.3 ms (Link to these results)

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