A0A096NTM9_PAPAN Loading...

RNA polymerase-associated protein RTF1 homolog

AlphaFold DB (Q92541), UniProt , Accession A0A096NTM9, Species PAPAN (Papio anubis, Olive baboon), Gene RTF1, Length 710 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	49.5	Very low	46.4	Very low	252 Å²	252	162.4 Å²	162.4	100%	1.241	90%	0.898	S	S	*	*				0	171.3	0	-73.2	173.1	169.1	0	0	109.2
2	R	38.6	Very low	46.3	Very low	252 Å²	252	156.8 Å²	156.8	95%	0.951	89%	0.889	S	S	*	*			trans	-113.9	139.9	-163.6	-70.4	175.6	169.5	171.1	-5.2	114.5
3	G	53.1	Low	46.2	Very low	72 Å²	72	152.2 Å²	152.2	74%	0.742	88%	0.882	S	S	*	*			trans	-161.8	123	150.5	0	0	0	0	0	107.7
4	R	45.8	Very low	45.7	Very low	243 Å²	243	148.9 Å²	148.9	92%	0.917	88%	0.881	S	S	*	*			cis	82.3	106.9	45.9	-79.2	-162.4	169.6	-150.6	0.9	114.3
5	L	52.1	Low	45.7	Very low	162 Å²	162	146.1 Å²	146.1	85%	0.848	88%	0.882	S	S	*	*			trans	-175.4	111.1	134.6	-93.3	148	0	0	0	107.1
6	C	49.6	Very low	45.4	Very low	110 Å²	110	143.4 Å²	143.4	74%	0.743	88%	0.88	S	S	*	*				71.4	96.8	107.1	-72	0	0	0	0	114.3
7	V	44.1	Very low	45.9	Very low	152 Å²	152	143.1 Å²	143.1	92%	0.921	88%	0.878	S	S	*	*				86.1	118.1	68.4	169.2	0	0	0	0	113.2
8	G	52.3	Low	45.7	Very low	77 Å²	77	140.3 Å²	140.3	79%	0.794	87%	0.871	S	S	*	*			trans	-176.9	121.3	168.7	0	0	0	0	0	111.7
9	R	39.3	Very low	46.5	Very low	252 Å²	252	140.1 Å²	140.1	95%	0.951	87%	0.869	S	S	*	*			trans	-126.7	134.1	179.2	-96.9	177.2	60.3	176.8	-1.9	110
10	A	47.1	Very low	46.7	Very low	107 Å²	107	138.6 Å²	138.6	88%	0.884	86%	0.861	S	S	*	*			trans	-158.6	151.4	155.5	0	0	0	0	0	109.7
11	A	39.1	Very low	46.9	Very low	107 Å²	107	140.7 Å²	140.7	88%	0.884	87%	0.866	S	S	*	*			trans	-157.4	138.4	176	0	0	0	0	0	111.5
12	A	45.5	Very low	46.7	Very low	95 Å²	95	133.6 Å²	133.6	79%	0.785	85%	0.847	S	S	*	*			trans	-160.8	123.7	167.8	0	0	0	0	0	107.3
13	A	44	Very low	46.9	Very low	97 Å²	97	125.4 Å²	125.4	80%	0.802	84%	0.841	S	S	*	*				62.2	100.4	97.2	0	0	0	0	0	112.7
14	A	39.9	Very low	46.6	Very low	106 Å²	106	125.5 Å²	125.5	88%	0.876	84%	0.842	S	S	*	*				86.3	108.9	51.9	0	0	0	0	0	114.1
15	A	46	Very low	46.6	Very low	107 Å²	107	122.2 Å²	122.2	88%	0.884	84%	0.837	S	S	*	*			trans	-153.9	130.7	160.9	0	0	0	0	0	108.9
16	A	41.2	Very low	46.2	Very low	103 Å²	103	122.7 Å²	122.7	85%	0.851	84%	0.835	S	S	*	*			trans	-142.9	137.5	172.5	0	0	0	0	0	108.5
17	V	53.3	Low	45.9	Very low	139 Å²	139	121.1 Å²	121.1	84%	0.842	84%	0.837	S	S	*	*			trans	-134.3	124.2	179	179.9	0	0	0	0	108.7	V19	V17-V19 HydrophobicContact CG1-CG2 4.41Å
18	A	41.2	Very low	45.7	Very low	93 Å²	93	119.6 Å²	119.6	77%	0.769	83%	0.833	S	S	*	*			trans	-136.5	139.6	170.8	0	0	0	0	0	108.3
19	V	61.1	Low	45.9	Very low	135 Å²	135	122 Å²	122	82%	0.818	84%	0.835	S	S	*	*			trans	-137.8	111.6	-179.7	180	0	0	0	0	109.6	V17	V17-V19 HydrophobicContact CG1-CG2 4.41Å
20	P	51.1	Low	46	Very low	111 Å²	111	113.9 Å²	113.9	72%	0.721	83%	0.83	S	S	*	*			trans	-110.3	149.5	167.1	37.1	-28.6	0	0	0	112
21	L	51	Low	45.7	Very low	183 Å²	183	113 Å²	113	96%	0.958	83%	0.831	S	S	*	*			trans	-166	162.5	156.3	-109	159.3	0	0	0	110.1
22	A	45.8	Very low	45.9	Very low	103 Å²	103	111.1 Å²	111.1	85%	0.851	82%	0.822	S	S	*	*			trans	-147.6	170.9	-160.6	0	0	0	0	0	114.2
23	G	42.6	Very low	45.7	Very low	79 Å²	79	117 Å²	117	81%	0.814	82%	0.824	S	S	*	*			trans	153.9	140.7	161.5	0	0	0	0	0	116.7
24	G	47.4	Very low	45.7	Very low	74 Å²	74	122.5 Å²	122.5	76%	0.763	82%	0.824	S	S	*	*			trans	88.3	115.8	174.8	0	0	0	0	0	114.1
25	Q	45.1	Very low	45.8	Very low	175 Å²	175	121.3 Å²	121.3	82%	0.818	82%	0.822	S	S	*	*			cis	58.4	134.3	31.6	-86.2	-164.8	-45.2	0	0	114.9
26	E	42.9	Very low	45.7	Very low	172 Å²	172	121.4 Å²	121.4	80%	0.804	82%	0.816	S	S	*	*			cis	-166.3	160.8	-17.4	-144.7	164.6	-168.3	0	0	109.1
27	G	42.8	Very low	45.8	Very low	76 Å²	76	128.2 Å²	128.2	78%	0.784	82%	0.82	S	S	*	*			trans	145.7	127.1	166.3	0	0	0	0	0	118.5
28	S	40.9	Very low	45.1	Very low	121 Å²	121	124.5 Å²	124.5	85%	0.846	81%	0.809	S	S	*	*			trans	-167	179.8	172.4	-124.3	0	0	0	0	108.5
29	P	55.8	Low	45.3	Very low	127 Å²	127	126.8 Å²	126.8	83%	0.825	81%	0.814	S	S	*	*			cis	-125	-171.6	-31.3	38.2	-22.5	0	0	0	111.1
30	G	42.2	Very low	44.3	Very low	82 Å²	82	126 Å²	126	85%	0.845	81%	0.81	S	S	*	*			trans	177.3	125.8	166.3	0	0	0	0	0	114
31	G	40.8	Very low	44	Very low	88 Å²	88	129.2 Å²	129.2	91%	0.907	82%	0.817	S	S	*	*			trans	-144.5	-169	-175.5	0	0	0	0	0	114.7
32	G	42.3	Very low	43.6	Very low	68 Å²	68	126.4 Å²	126.4	70%	0.701	81%	0.807	S	S	*	*			trans	141.3	127.3	156.3	0	0	0	0	0	119
33	R	42.5	Very low	43.7	Very low	217 Å²	217	131 Å²	131	82%	0.819	81%	0.808	S	S	*	*			trans	72.6	153.9	142.4	-58.8	-175.2	175	-149.3	-2.8	117.1
34	R	44.6	Very low	43.8	Very low	214 Å²	214	136.7 Å²	136.7	81%	0.808	81%	0.81	S	S	*	*			cis	-165.2	140.4	-11	-119.8	179.3	173.2	-163	-3.5	111.9
35	G	41.8	Very low	43.6	Very low	80 Å²	80	144.7 Å²	144.7	83%	0.825	82%	0.818	S	S	*	*			trans	71.4	176.8	145.2	0	0	0	0	0	119.4
36	S	43.5	Very low	43.9	Very low	110 Å²	110	146.7 Å²	146.7	77%	0.769	82%	0.824	S	S	*	*			cis	-171.3	164.2	-18.2	-168.2	0	0	0	0	111.6
37	R	42.9	Very low	44.1	Very low	246 Å²	246	142 Å²	142	93%	0.928	82%	0.821	S	S	*	*			trans	74.2	151.1	171.4	-52	170.9	174.8	172.1	-3.5	116.2
38	G	39.4	Very low	43.8	Very low	60 Å²	60	148.8 Å²	148.8	62%	0.619	82%	0.823	S	S	*	*			cis	159.8	167	-8.4	0	0	0	0	0	113.9
39	T	45	Very low	44	Very low	141 Å²	141	149.3 Å²	149.3	87%	0.865	82%	0.82	S	S	*	*			trans	75.2	166.3	176.4	82.4	0	0	0	0	119
40	T	40.4	Very low	43.1	Very low	120 Å²	120	147.8 Å²	147.8	74%	0.736	81%	0.809	S	S	*	*				175.3	123.1	-81.4	41.9	0	0	0	0	112.6
41	M	45.1	Very low	43.1	Very low	177 Å²	177	150.8 Å²	150.8	87%	0.872	80%	0.804	S	S	*	*			trans	-173.4	140.8	154.4	-110.3	-174.7	-71.9	0	0	109.4
42	V	40.8	Very low	43	Very low	125 Å²	125	153 Å²	153	76%	0.758	80%	0.795	S	S	*	*			cis	101.6	77.7	3.9	-168.9	0	0	0	0	117.5
43	K	47.9	Very low	42.8	Very low	200 Å²	200	154.3 Å²	154.3	87%	0.87	79%	0.794	S	S	*	*			trans	179.2	151.4	150.1	-101.7	151.6	-169.6	168.7	0	110.5
44	K	46.3	Very low	42.7	Very low	197 Å²	197	150.9 Å²	150.9	86%	0.857	79%	0.791	S	S	*	*			cis	-154.2	151.1	0.3	-174.1	176.1	-179.4	-179.5	0	110.1
45	R	41.5	Very low	42.4	Very low	243 Å²	243	145.9 Å²	145.9	92%	0.917	79%	0.785	S	S	*	*			trans	-102.5	150.3	175	-66.4	167.3	72.1	-178.6	4.3	112.4
46	K	52.6	Low	42.4	Very low	217 Å²	217	150.3 Å²	150.3	94%	0.943	78%	0.784	S	S	*	*			trans	-167.1	145	158.4	-159.5	178.1	-176	-169.1	0	107.9
47	G	46.3	Very low	42.3	Very low	72 Å²	72	152.8 Å²	152.8	74%	0.742	79%	0.788	S	S	*	*			cis	-171.8	148	-10.3	0	0	0	0	0	110.4
48	R	38	Very low	42.1	Very low	220 Å²	220	146.6 Å²	146.6	83%	0.83	78%	0.783	S	S	*	*			trans	-84.8	143.4	-174	171.2	-168.3	178.6	-156.7	3.2	112.5	V50	R48-V50 HydrophobicContact CG-CG2 4.12Å
49	V	44.1	Very low	42.3	Very low	131 Å²	131	147 Å²	147	79%	0.794	79%	0.787	S	S	*	*			trans	-136.1	146	144.2	-179.9	0	0	0	0	107.6
50	V	37.9	Very low	42.1	Very low	95 Å²	95	145 Å²	145	58%	0.576	78%	0.778	S	S	*	*			trans	-142.5	133.9	172.8	178.3	0	0	0	0	106.4	R48	R48-V50 HydrophobicContact CG-CG2 4.12Å
51	I	40.3	Very low	42.5	Very low	146 Å²	146	146.1 Å²	146.1	75%	0.749	78%	0.78	S	S	*	*			trans	-176.9	140.9	172	-90.8	140.1	0	0	0	103.1
52	D	39	Very low	43.1	Very low	133 Å²	133	145.3 Å²	145.3	71%	0.711	77%	0.774	S	S	*	*			cis	172.5	167.8	-26.7	-95	-41.1	0	0	0	103.6
53	S	38.6	Very low	43.9	Very low	97 Å²	97	144.8 Å²	144.8	68%	0.678	77%	0.767	S	S	*	*			trans	70.1	103.6	166.1	-87.5	0	0	0	0	121.4
54	D	39.8	Very low	44.4	Very low	144 Å²	144	140.6 Å²	140.6	77%	0.77	75%	0.754	S	S	*	*				89	140.9	113.1	-56	-29.7	0	0	0	123.9
55	T	39.8	Very low	45.3	Very low	109 Å²	109	136.3 Å²	136.3	67%	0.669	74%	0.74	S	S	*	*			trans	78.2	84.5	145.9	-69.2	0	0	0	0	120.5
56	E	41.7	Very low	46.5	Very low	173 Å²	173	130.8 Å²	130.8	81%	0.808	73%	0.725	S	S	*	*				86.6	148	113.5	-72.5	152.3	-104.6	0	0	124.9
57	D	40.7	Very low	46.9	Very low	162 Å²	162	125.8 Å²	125.8	87%	0.866	71%	0.705	S	S	*	*			trans	85.6	143.1	162	-142.5	10.9	0	0	0	120.9
58	S	39.3	Very low	47.8	Very low	117 Å²	117	127.2 Å²	127.2	82%	0.818	70%	0.695	S	S	*	*			trans	-100.9	132.3	-160.7	-55.3	0	0	0	0	113.4
59	G	42.7	Very low	49.1	Very low	67 Å²	67	122.3 Å²	122.3	69%	0.691	68%	0.684	S	S	*	*			trans	-169.4	131.6	170.2	0	0	0	0	0	115.9
60	S	40.5	Very low	50	Low	99 Å²	99	119.3 Å²	119.3	69%	0.692	67%	0.669	S	S	*	*			trans	63.7	82.7	164.2	59.8	0	0	0	0	118.9	E62	S60-E62 PolarHBondContact O-N 2.85Å
61	D	50.2	Low	50.8	Low	145 Å²	145	119.3 Å²	119.3	78%	0.775	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-7.9	166.6	-66.6	-74.5	0	0	0	114.8	N63	D61-N63 VanDerWaalsContact C-N 3.26Å; D61-N63 PolarHBondContact O-N 3.19Å
62	E	56.6	Low	51.5	Low	160 Å²	160	116.4 Å²	116.4	75%	0.748	66%	0.664	S	S	*	*	H	α-helix	trans	-73.2	-8.6	-174.2	-60.5	-166.6	144.5	0	0	115.2	S60 Q66	S60-E62 PolarHBondContact O-N 2.85Å; E62-Q66 PolarHBondContact O-NE2 2.95Å
63	N	57.4	Low	52.2	Low	114 Å²	114	118.9 Å²	118.9	61%	0.61	67%	0.668	S	S	*	*	H	α-helix	trans	-92	-29.4	-175.7	-159.3	41.1	0	0	0	113.4	D61 Q66 E67	D61-N63 VanDerWaalsContact C-N 3.26Å; D61-N63 PolarHBondContact O-N 3.19Å; N63-Q66 PolarHBondContact O-N 3.07Å; N63-E67 PolarHBondContact O-N 3.43Å; N63-E67 VanDerWaalsContact O-N 3.14Å
64	L	59.8	Low	52.5	Low	111 Å²	111	124.6 Å²	124.6	58%	0.581	68%	0.675	S	S	*	*	H	α-helix	trans	-67.9	-39.9	-177.8	-81.1	168.8	0	0	0	112.6	Q66 E67 L68	L64-Q66 VanDerWaalsContact C-N 3.32Å; L64-Q66 PolarHBondContact O-N 3.12Å; L64-E67 PolarHBondContact O-N 3.28Å; L64-L68 WeakPolarHBondContact O-CB 3.5Å; L64-L68 WeakPolarHBondContact O-CG 3.28Å; L64-L68 PolarHBondContact O-N 2.96Å
65	D	65.4	Low	52.5	Low	108 Å²	108	126.8 Å²	126.8	58%	0.578	68%	0.677	S	S	*	*	H	α-helix	trans	-65.1	-35.8	175.9	-90.5	-25.5	0	0	0	112.1	E67 L68 L69	D65-E67 VanDerWaalsContact C-N 3.35Å; D65-L68 PolarHBondContact O-N 3.07Å; D65-L69 WeakPolarHBondContact O-CB 3.32Å; D65-L69 WeakPolarHBondContact O-CD1 3.39Å; D65-L69 PolarHBondContact O-N 2.88Å
66	Q	65.2	Low	52.5	Low	126 Å²	126	133.6 Å²	133.6	59%	0.589	69%	0.691	S	S	*	*	H	α-helix	trans	-68.2	-35.4	176.2	-65.2	-172.2	59.7	0	0	112	E62 N63 L64 S70	E62-Q66 PolarHBondContact O-NE2 2.95Å; N63-Q66 PolarHBondContact O-N 3.07Å; L64-Q66 VanDerWaalsContact C-N 3.32Å; L64-Q66 PolarHBondContact O-N 3.12Å; Q66-S70 WeakPolarHBondContact O-CB 3.48Å; Q66-S70 PolarHBondContact O-N 3.12Å; Q66-S70 VanDerWaalsContact O-N 3.14Å; Q66-S70 PolarHBondContact O-OG 3.27Å
67	E	61.5	Low	52.5	Low	112 Å²	112	131.3 Å²	131.3	52%	0.523	69%	0.694	S	S	.	*	H	α-helix	trans	-69.9	-41.6	171.8	-165.3	172.3	-166.2	0	0	111.7	N63 L64 D65 S70 L71	N63-E67 PolarHBondContact O-N 3.43Å; N63-E67 VanDerWaalsContact O-N 3.14Å; L64-E67 PolarHBondContact O-N 3.28Å; D65-E67 VanDerWaalsContact C-N 3.35Å; E67-S70 CarbonylContact O-C 3.57Å; E67-S70 WeakPolarHBondContact O-CA 3.25Å; E67-S70 WeakPolarHBondContact O-CB 3.49Å; E67-S70 PolarHBondContact O-N 3.38Å; E67-S70 VanDerWaalsContact O-N 3.1Å; E67-L71 HydrophobicContact CG-CD1 3.99Å; E67-L71 HydrophobicContact CG-CG 4.33Å; E67-L71 WeakPolarHBondContact O-CB 3.4Å; E67-L71 WeakPolarHBondContact O-CG 3.34Å; E67-L71 PolarHBondContact O-N 3.3Å
68	L	66.1	Low	52.4	Low	103 Å²	103	131.1 Å²	131.1	54%	0.539	69%	0.693	S	S	.	*	H	α-helix	trans	-63	-43.6	176	-74.9	170.4	0	0	0	112.7	L64 D65 S70 L71 A72	L64-L68 WeakPolarHBondContact O-CB 3.5Å; L64-L68 WeakPolarHBondContact O-CG 3.28Å; L64-L68 PolarHBondContact O-N 2.96Å; D65-L68 PolarHBondContact O-N 3.07Å; L68-S70 PolarHBondContact O-N 3.44Å; L68-L71 PolarHBondContact O-N 3.46Å; L68-A72 WeakPolarHBondContact O-CB 3.41Å; L68-A72 PolarHBondContact O-N 2.94Å
69	L	64.5	Low	52.5	Low	116 Å²	116	130.8 Å²	130.8	61%	0.607	69%	0.691	S	S	*	*	H	α-helix	trans	-63.2	-30.2	172.7	-91.5	83.7	0	0	0	112.3	D65	D65-L69 WeakPolarHBondContact O-CB 3.32Å; D65-L69 WeakPolarHBondContact O-CD1 3.39Å; D65-L69 PolarHBondContact O-N 2.88Å
70	S	63.7	Low	52.4	Low	68 Å²	68	136.2 Å²	136.2	48%	0.476	70%	0.698	S	S	.	*	H	α-helix	trans	-76.2	-38	176.2	-63.4	0	0	0	0	112.5	Q66 E67 L68 K73 R74	Q66-S70 WeakPolarHBondContact O-CB 3.48Å; Q66-S70 PolarHBondContact O-N 3.12Å; Q66-S70 VanDerWaalsContact O-N 3.14Å; Q66-S70 PolarHBondContact O-OG 3.27Å; E67-S70 CarbonylContact O-C 3.57Å; E67-S70 WeakPolarHBondContact O-CA 3.25Å; E67-S70 WeakPolarHBondContact O-CB 3.49Å; E67-S70 PolarHBondContact O-N 3.38Å; E67-S70 VanDerWaalsContact O-N 3.1Å; L68-S70 PolarHBondContact O-N 3.44Å; S70-K73 PolarHBondContact O-N 3.16Å; S70-R74 WeakPolarHBondContact O-CG 3.43Å
71	L	53.3	Low	52.4	Low	96 Å²	96	138.1 Å²	138.1	50%	0.503	70%	0.696	S	S	.	*	H	α-helix	trans	-73.4	-35.3	176.3	-72.3	170	0	0	0	112.3	E67 L68 K73 R74	E67-L71 HydrophobicContact CG-CD1 3.99Å; E67-L71 HydrophobicContact CG-CG 4.33Å; E67-L71 WeakPolarHBondContact O-CB 3.4Å; E67-L71 WeakPolarHBondContact O-CG 3.34Å; E67-L71 PolarHBondContact O-N 3.3Å; L68-L71 PolarHBondContact O-N 3.46Å; L71-K73 PolarHBondContact O-N 3.11Å; L71-R74 PolarHBondContact O-N 2.93Å
72	A	55	Low	51.8	Low	85 Å²	85	138.7 Å²	138.7	70%	0.702	69%	0.692	S	S	*	*	H	α-helix	trans	-57.7	-30	173.3	0	0	0	0	0	112.7	L68	L68-A72 WeakPolarHBondContact O-CB 3.41Å; L68-A72 PolarHBondContact O-N 2.94Å
73	K	53.6	Low	51	Low	185 Å²	185	139.3 Å²	139.3	80%	0.804	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-3	174.5	-71.8	174.8	179.2	169.3	0	114.3	S70 L71	S70-K73 PolarHBondContact O-N 3.16Å; L71-K73 PolarHBondContact O-N 3.11Å
74	R	46.5	Very low	50.2	Low	216 Å²	216	138.6 Å²	138.6	82%	0.815	70%	0.696	S	S	*	*	S	Bend	trans	-124.4	31.4	-171	-66.3	-177.1	72.3	168.8	1	114.8	S70 L71	S70-R74 WeakPolarHBondContact O-CG 3.43Å; L71-R74 PolarHBondContact O-N 2.93Å
75	K	39	Very low	49.2	Very low	190 Å²	190	138.7 Å²	138.7	83%	0.826	70%	0.703	S	S	*	*			trans	-139.7	65	175.6	-161.1	175.1	-178	176	0	115.4
76	R	40.5	Very low	47.9	Very low	253 Å²	253	140.1 Å²	140.1	96%	0.955	72%	0.716	S	S	*	*			trans	-169.5	90.6	156.6	-108.3	167	-164.1	-163.1	5.5	112
77	S	40.5	Very low	46.7	Very low	124 Å²	124	139.5 Å²	139.5	87%	0.867	73%	0.725	S	S	*	*			trans	-160.7	81	167.6	49.7	0	0	0	0	112.9
78	D	40.1	Very low	45.9	Very low	158 Å²	158	142.9 Å²	142.9	85%	0.845	74%	0.741	S	S	*	*			trans	-156.5	158.8	150.6	-155.2	-7.6	0	0	0	109.8
79	S	41	Very low	44.7	Very low	111 Å²	111	144.1 Å²	144.1	78%	0.776	76%	0.755	S	S	*	*			trans	70.9	134.1	-175.9	-57.5	0	0	0	0	117.6
80	E	39.3	Very low	43.4	Very low	180 Å²	180	143 Å²	143	84%	0.841	76%	0.763	S	S	*	*			trans	-88	173.4	-169.6	-63.9	177.9	83.5	0	0	112
81	E	41.4	Very low	42.2	Very low	140 Å²	140	144.6 Å²	144.6	65%	0.654	78%	0.78	S	S	*	*			cis	-151.6	148.6	39.4	-47	178.6	111.6	0	0	115.8
82	K	37.7	Very low	41.5	Very low	157 Å²	157	145.6 Å²	145.6	68%	0.683	80%	0.795	S	S	*	*			trans	32.5	138.1	136.7	-70.4	176	-177.3	161.6	0	119.7
83	E	39.8	Very low	40.6	Very low	173 Å²	173	147.1 Å²	147.1	81%	0.808	80%	0.801	S	S	*	*			cis	-155.4	-179.3	15.3	-102.9	-97	136.3	0	0	109.1
84	P	39.9	Very low	39.7	Very low	99 Å²	99	145.9 Å²	145.9	64%	0.643	80%	0.803	S	S	*	*			trans	-97.8	-170	-149.3	44.4	-43.4	0	0	0	115
85	P	39.1	Very low	39.3	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	81%	0.806	S	S	*	*			cis	-136.8	-162.5	4.3	35.4	-11.3	0	0	0	116.2
86	V	38.5	Very low	39.2	Very low	138 Å²	138	141.6 Å²	141.6	84%	0.836	81%	0.808	S	S	*	*			trans	85.2	116.2	166.8	-167.1	0	0	0	0	117.1
87	S	40.6	Very low	39.1	Very low	113 Å²	113	135.9 Å²	135.9	79%	0.79	80%	0.802	S	S	*	*			trans	-109.4	132.4	177.2	48.3	0	0	0	0	112.7
88	Q	43.3	Very low	38.8	Very low	183 Å²	183	135.1 Å²	135.1	86%	0.855	80%	0.797	S	S	*	*			trans	-98.5	145.9	162.2	-66.6	-178.3	-15.4	0	0	109.9
89	P	41.9	Very low	38.8	Very low	128 Å²	128	135 Å²	135	83%	0.831	80%	0.796	S	S	*	*			trans	-91	149.3	152.4	35.1	-29.3	0	0	0	110.5
90	A	36	Very low	38.5	Very low	93 Å²	93	134.9 Å²	134.9	77%	0.769	80%	0.795	S	S	*	*			trans	-134.5	149.6	170.5	0	0	0	0	0	110.2
91	A	39.5	Very low	38.7	Very low	101 Å²	101	133.7 Å²	133.7	84%	0.835	80%	0.795	S	S	*	*			trans	59.6	105.9	171	0	0	0	0	0	118.5
92	S	37.4	Very low	38.7	Very low	117 Å²	117	134 Å²	134	82%	0.818	80%	0.801	S	S	*	*				-170.5	139.5	129.9	51.8	0	0	0	0	112.8
93	S	36.2	Very low	39.1	Very low	118 Å²	118	134 Å²	134	83%	0.825	80%	0.803	S	S	*	*			trans	62.9	132.6	157.7	-147.5	0	0	0	0	121.5
94	D	35.1	Very low	39.2	Very low	159 Å²	159	136.3 Å²	136.3	85%	0.85	81%	0.805	S	S	*	*			trans	-66.7	146.9	159.9	-67.6	-89.2	0	0	0	112.7
95	S	38.5	Very low	39.5	Very low	125 Å²	125	137.5 Å²	137.5	87%	0.874	81%	0.81	S	S	*	*			trans	-163.6	144.7	156.6	-159.2	0	0	0	0	110.1
96	E	36.2	Very low	39.3	Very low	190 Å²	190	141.6 Å²	141.6	89%	0.888	82%	0.817	S	S	*	*			trans	-98.9	118.5	-166.1	-59	-173.6	108.7	0	0	114.5
97	T	38.8	Very low	39.7	Very low	133 Å²	133	138.5 Å²	138.5	82%	0.816	81%	0.813	S	S	*	*			trans	-143.3	118.1	151.7	61.6	0	0	0	0	107.9
98	S	35.3	Very low	39.5	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	81%	0.814	S	S	*	*			cis	75	59.2	43.7	-168	0	0	0	0	115.6
99	D	40.2	Very low	39.6	Very low	156 Å²	156	137.2 Å²	137.2	83%	0.834	81%	0.812	S	S	*	*			trans	-146	125	155.4	-85.3	-47.6	0	0	0	107.5
100	S	33.8	Very low	39.6	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	81%	0.809	S	S	*	*			cis	78.5	55.3	5	-163.2	0	0	0	0	118.7
101	D	42.9	Very low	39.9	Very low	156 Å²	156	141.8 Å²	141.8	83%	0.834	81%	0.808	S	S	*	*			trans	-147.8	156.7	144.6	-141	-19.5	0	0	0	113.1
102	D	42.8	Very low	39.9	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	81%	0.805	S	S	*	*			trans	-90.6	146.7	-167.5	-93.3	-69.7	0	0	0	114.8	W104	D102-W104 PolarHBondContact O-N 2.95Å; D102-W104 VanDerWaalsContact O-N 3.07Å
103	E	44.2	Very low	40.2	Very low	157 Å²	157	148 Å²	148	73%	0.734	80%	0.802	S	S	*	*			trans	-68.9	102.9	176.2	-72.4	-167.2	66.9	0	0	111.7	T105 K504	E103-T105 PolarHBondContact O-N 3.43Å; E103-K504 IonicContact OE2-NZ 2.65Å
104	W	43.6	Very low	40.4	Very low	222 Å²	222	152 Å²	152	84%	0.841	81%	0.805	S	S	*	*			trans	-61.8	101.4	171.7	-94.2	65.2	0	0	0	112.1	D102 F106	D102-W104 PolarHBondContact O-N 2.95Å; D102-W104 VanDerWaalsContact O-N 3.07Å; W104-F106 HydrophobicContact CE3-CD2 4.24Å; W104-F106 HydrophobicContact CE3-CE2 4.05Å; W104-F106 HydrophobicContact CZ3-CE2 4.01Å
105	T	45.2	Very low	40.7	Very low	124 Å²	124	147.7 Å²	147.7	76%	0.761	80%	0.797	S	S	*	*			trans	-96.5	115.6	170.8	43.5	0	0	0	0	110.9	E103 G107	E103-T105 PolarHBondContact O-N 3.43Å; T105-G107 PolarHBondContact O-N 3.36Å
106	F	34.4	Very low	40.7	Very low	198 Å²	198	152.1 Å²	152.1	87%	0.868	80%	0.801	S	S	*	*			trans	-77.2	68.5	-177.8	-124.1	-95.1	0	0	0	111.8	W104	W104-F106 HydrophobicContact CE3-CD2 4.24Å; W104-F106 HydrophobicContact CE3-CE2 4.05Å; W104-F106 HydrophobicContact CZ3-CE2 4.01Å
107	G	46.9	Very low	41	Very low	73 Å²	73	146.8 Å²	146.8	75%	0.753	79%	0.789	S	S	*	*			trans	-90	108	-176.8	0	0	0	0	0	113.9	T105 N109	T105-G107 PolarHBondContact O-N 3.36Å; G107-N109 PolarHBondContact O-N 3.33Å
108	S	37.7	Very low	41.2	Very low	116 Å²	116	151.9 Å²	151.9	81%	0.811	79%	0.793	S	S	*	*			trans	-73	121.3	-179.6	-179.6	0	0	0	0	113.6
109	N	44.7	Very low	41.5	Very low	153 Å²	153	154.3 Å²	154.3	82%	0.818	79%	0.79	S	S	*	*			trans	-157.9	173.1	139.6	-128.4	-45.9	0	0	0	115.2	G107	G107-N109 PolarHBondContact O-N 3.33Å
110	K	42.8	Very low	41.7	Very low	175 Å²	175	153.6 Å²	153.6	76%	0.761	79%	0.785	S	S	*	*			trans	-100	157.6	-159.5	-62.6	166.8	-179.2	167.5	0	115.2
111	N	41.1	Very low	42.2	Very low	143 Å²	143	155.8 Å²	155.8	77%	0.765	78%	0.783	S	S	*	*			trans	97.3	136.5	139.8	-90.1	-36.3	0	0	0	123.4
112	K	41.2	Very low	42.4	Very low	174 Å²	174	158.6 Å²	158.6	76%	0.757	79%	0.788	S	S	*	*			trans	80.2	95.2	146.2	-76.2	178.2	179.7	173.6	0	122.3
113	K	42.5	Very low	42.3	Very low	175 Å²	175	162 Å²	162	76%	0.761	80%	0.796	S	S	*	*				72.9	122.6	114	-84.7	-176.4	172.9	174.3	0	121.6
114	K	40.8	Very low	42.2	Very low	202 Å²	202	157.4 Å²	157.4	88%	0.878	79%	0.791	S	S	*	*			trans	69.1	135.1	145.5	-63.8	179.8	171.8	-174.2	0	117.3
115	G	40.2	Very low	42.2	Very low	68 Å²	68	153.2 Å²	153.2	70%	0.701	79%	0.79	S	S	*	*			cis	149.3	179.8	-8	0	0	0	0	0	114.1
116	K	40.3	Very low	42.3	Very low	217 Å²	217	155.7 Å²	155.7	94%	0.943	80%	0.795	S	S	*	*			trans	76	149.3	-177	-62.7	178.1	174.4	177.3	0	115.6
117	A	42.5	Very low	42.8	Very low	78 Å²	78	154.8 Å²	154.8	65%	0.645	79%	0.791	S	S	*	*			cis	-172.4	171.5	-23.8	0	0	0	0	0	111.3
118	R	42.1	Very low	42.7	Very low	240 Å²	240	160.2 Å²	160.2	91%	0.906	79%	0.794	S	S	*	*			trans	77.2	146.6	157	-71.6	173.8	177.1	-154.5	-3.3	117.6
119	K	41.9	Very low	43.2	Very low	159 Å²	159	162.4 Å²	162.4	69%	0.691	79%	0.791	S	S	*	*			cis	-167.3	171.2	-18	-162.8	-163.7	169.8	-167.2	0	109.2
120	I	44.6	Very low	43.1	Very low	142 Å²	142	158.9 Å²	158.9	73%	0.728	78%	0.784	S	S	*	*			trans	84.8	129.1	164.1	-51.7	165.3	0	0	0	113.5
121	E	43.6	Very low	43.1	Very low	153 Å²	153	157.5 Å²	157.5	72%	0.715	78%	0.784	S	S	*	*			cis	124.1	107.9	-7.6	-75.2	-167.6	110.3	0	0	114.5
122	K	46.6	Very low	43.1	Very low	215 Å²	215	158.5 Å²	158.5	94%	0.935	78%	0.782	S	S	*	*			trans	172	162.9	146.5	-98.9	164.8	-177.9	-178.5	0	111.4
123	K	42.3	Very low	43.1	Very low	217 Å²	217	156.3 Å²	156.3	94%	0.943	78%	0.783	S	S	*	*				-168.6	124.4	-90.2	176	178.9	179.5	-178.4	0	112.4
124	G	41.2	Very low	43.1	Very low	61 Å²	61	152.7 Å²	152.7	63%	0.629	79%	0.786	S	S	*	*			trans	173.2	160.7	169.5	0	0	0	0	0	111.3
125	T	44.6	Very low	43.1	Very low	135 Å²	135	149.3 Å²	149.3	83%	0.828	79%	0.788	S	S	*	*			cis	79.3	129.1	7	72.7	0	0	0	0	117.2
126	M	47	Very low	43.1	Very low	175 Å²	175	152.1 Å²	152.1	86%	0.862	80%	0.797	S	S	*	*			cis	-140.2	166.2	3	-69.3	-160.4	-162.8	0	0	110.5
127	K	45.5	Very low	43.1	Very low	180 Å²	180	145.3 Å²	145.3	78%	0.783	79%	0.788	S	S	*	*			cis	111.2	74.1	5.6	-167	-141.5	163.1	-178.4	0	118.1
128	K	43.5	Very low	43	Very low	187 Å²	187	146.9 Å²	146.9	81%	0.813	79%	0.794	S	S	*	*			trans	-154.6	141.7	150.1	-92.2	-171.1	173.2	178	0	108.2
129	Q	48.9	Very low	42.8	Very low	161 Å²	161	139.8 Å²	139.8	75%	0.752	78%	0.782	S	S	*	*			cis	77.1	134.9	46.6	-68.5	-179.4	-41	0	0	114.1
130	A	41.8	Very low	42.7	Very low	80 Å²	80	139 Å²	139	66%	0.661	79%	0.785	S	S	*	*			cis	-171.8	176.6	-10.6	0	0	0	0	0	111.4
131	N	42.2	Very low	42.7	Very low	145 Å²	145	140.1 Å²	140.1	78%	0.775	79%	0.785	S	S	*	*			trans	69.7	157.3	162.1	-82.9	-3.4	0	0	0	118.8
132	K	42.6	Very low	42.5	Very low	165 Å²	165	138.4 Å²	138.4	72%	0.717	78%	0.78	S	S	*	*			cis	-171.1	165.6	-32.1	-126.2	-175.8	-173.6	-175.3	0	109.5
133	T	41.3	Very low	42.3	Very low	128 Å²	128	133.7 Å²	133.7	79%	0.785	77%	0.774	S	S	*	*			trans	54.6	122.5	160.2	47.4	0	0	0	0	118.3
134	A	41.2	Very low	42.3	Very low	99 Å²	99	128.3 Å²	128.3	82%	0.818	76%	0.764	S	S	*	*			cis	88.9	99.5	32.2	0	0	0	0	0	116
135	S	42.1	Very low	42.5	Very low	131 Å²	131	129.9 Å²	129.9	92%	0.916	77%	0.771	S	S	*	*			trans	-164.8	161.4	152.6	55.3	0	0	0	0	110.6
136	S	39.1	Very low	42.4	Very low	127 Å²	127	132.1 Å²	132.1	89%	0.888	77%	0.772	S	S	*	*			trans	-111.3	149.2	-172.1	53.8	0	0	0	0	114.3
137	G	41.7	Very low	42.2	Very low	73 Å²	73	128.8 Å²	128.8	75%	0.753	77%	0.766	S	S	*	*			trans	160.8	110.5	170	0	0	0	0	0	108.3
138	S	40.4	Very low	42	Very low	111 Å²	111	125.1 Å²	125.1	78%	0.776	76%	0.763	S	S	*	*				84.6	117	63.4	-166.1	0	0	0	0	113.3
139	S	37.4	Very low	42.1	Very low	92 Å²	92	120.5 Å²	120.5	64%	0.643	76%	0.76	S	S	*	*			trans	61.1	122.2	147.9	50.8	0	0	0	0	121.5
140	D	39.8	Very low	42.1	Very low	143 Å²	143	117.5 Å²	117.5	77%	0.765	75%	0.754	S	S	*	*			trans	82.1	110.3	138.4	-63.2	-43.8	0	0	0	123.4
141	K	43.9	Very low	42.2	Very low	165 Å²	165	121.6 Å²	121.6	72%	0.717	76%	0.76	S	S	*	*				82.7	132.9	124.3	-88.5	178.8	149.4	-68.4	0	124.3
142	D	40.4	Very low	42.4	Very low	117 Å²	117	123.3 Å²	123.3	63%	0.626	76%	0.763	S	S	*	*			trans	70.4	122	140.6	-65.2	-37	0	0	0	122.5
143	S	41.5	Very low	42.1	Very low	115 Å²	115	118.8 Å²	118.8	80%	0.804	76%	0.763	S	S	*	*			trans	72.9	149.7	148.8	81.1	0	0	0	0	117.3
144	S	43	Very low	42.1	Very low	105 Å²	105	122 Å²	122	73%	0.734	77%	0.769	S	S	*	*			cis	-157	167	-2.6	34.4	0	0	0	0	110.7
145	A	44.6	Very low	42.2	Very low	93 Å²	93	124.6 Å²	124.6	77%	0.769	77%	0.774	S	S	*	*			trans	50.9	127.9	148.8	0	0	0	0	0	119.4
146	E	42.4	Very low	42.3	Very low	183 Å²	183	123.7 Å²	123.7	86%	0.855	77%	0.768	S	S	*	*			cis	-138.7	-163.3	10.3	-65.5	-163.7	62.5	0	0	109.7
147	S	42.4	Very low	42.2	Very low	105 Å²	105	125.2 Å²	125.2	73%	0.734	77%	0.767	S	S	*	*			cis	-156	167.4	9.5	70.9	0	0	0	0	115.7
148	S	41.5	Very low	42.3	Very low	103 Å²	103	127.3 Å²	127.3	72%	0.72	77%	0.77	S	S	*	*			trans	-37.1	158.3	156.3	-52.9	0	0	0	0	116.6
149	A	46.7	Very low	42.4	Very low	90 Å²	90	129.6 Å²	129.6	74%	0.744	77%	0.773	S	S	*	*			cis	177.5	-178.4	-10.1	0	0	0	0	0	109
150	P	48.2	Very low	42.6	Very low	97 Å²	97	130 Å²	130	63%	0.63	78%	0.776	S	S	*	*			cis	-129	-171.1	-24.3	34	-13.7	0	0	0	113.9
151	E	43.2	Very low	42.6	Very low	167 Å²	167	130.8 Å²	130.8	78%	0.78	78%	0.78	S	S	*	*			trans	40.8	149	143.4	-69.6	155.2	128.2	0	0	121.5
152	E	46.6	Very low	42.3	Very low	180 Å²	180	128 Å²	128	84%	0.841	78%	0.782	S	S	*	*			cis	-128.8	160.4	12.5	-55.7	-98.7	149.2	0	0	109.6
153	G	37.8	Very low	42.2	Very low	70 Å²	70	128.1 Å²	128.1	72%	0.722	79%	0.791	S	S	*	*			cis	-178.6	140.5	-3.8	0	0	0	0	0	109.8
154	E	41	Very low	42	Very low	195 Å²	195	127.6 Å²	127.6	91%	0.911	79%	0.788	S	S	*	*			trans	-99	142	177.6	-64.4	-175	119.4	0	0	110.8
155	V	43.1	Very low	41.8	Very low	154 Å²	154	127.5 Å²	127.5	93%	0.933	79%	0.787	S	S	*	*			trans	-93.6	111.1	166.2	-72.4	0	0	0	0	109.1
156	S	44	Very low	41.4	Very low	113 Å²	113	128.7 Å²	128.7	79%	0.79	79%	0.79	S	S	*	*			trans	-93.5	133.3	-170.6	-166.8	0	0	0	0	112.8	S158	S156-S158 PolarHBondContact O-N 3.09Å
157	D	37.6	Very low	41.1	Very low	159 Å²	159	125 Å²	125	85%	0.85	78%	0.784	S	S	*	*			trans	-79.7	95.5	170.1	-81.7	-58.5	0	0	0	110.6
158	S	43.4	Very low	40.7	Very low	117 Å²	117	128 Å²	128	82%	0.818	79%	0.792	S	S	*	*			trans	-171.7	124	153.1	-84.1	0	0	0	0	112	S156	S156-S158 PolarHBondContact O-N 3.09Å
159	D	42	Very low	40.6	Very low	158 Å²	158	127.8 Å²	127.8	85%	0.845	79%	0.791	S	S	*	*			trans	-146.8	166.6	151.6	-143.1	-23.4	0	0	0	111.9
160	S	41.5	Very low	40	Very low	102 Å²	102	130.9 Å²	130.9	71%	0.713	80%	0.795	S	S	*	*			trans	-92.8	122.4	-139.6	-59.1	0	0	0	0	115	S162	S160-S162 PolarHBondContact O-N 3.38Å
161	N	39	Very low	39.6	Very low	158 Å²	158	131.2 Å²	131.2	85%	0.845	80%	0.8	S	S	*	*			trans	-15.6	107.4	156.6	-179.3	35.7	0	0	0	116.6
162	S	38.4	Very low	39.3	Very low	108 Å²	108	128.6 Å²	128.6	76%	0.755	80%	0.8	S	S	*	*			trans	-130.6	116.9	158.8	68.6	0	0	0	0	110.8	S160	S160-S162 PolarHBondContact O-N 3.38Å
163	S	37.2	Very low	39.2	Very low	118 Å²	118	123.8 Å²	123.8	83%	0.825	79%	0.786	S	S	*	*			trans	-90.6	109.6	-174.3	57.4	0	0	0	0	112.7
164	S	39	Very low	39.8	Very low	104 Å²	104	126.1 Å²	126.1	73%	0.727	78%	0.778	S	S	*	*			trans	-140.5	125.2	167.4	60.7	0	0	0	0	112.7
165	S	38	Very low	40.4	Very low	104 Å²	104	123.4 Å²	123.4	73%	0.727	77%	0.77	S	S	*	*			trans	-17.1	118.7	169.9	52.9	0	0	0	0	118.5
166	S	35.5	Very low	41.3	Very low	117 Å²	117	119.4 Å²	119.4	82%	0.818	74%	0.741	S	S	*	*				18.4	107.3	127.8	58.3	0	0	0	0	118.4
167	S	36.5	Very low	42.4	Very low	105 Å²	105	121.2 Å²	121.2	73%	0.734	74%	0.737	S	S	*	*			trans	-144.9	122	145.3	-171	0	0	0	0	108.9
168	D	35.5	Very low	44.2	Very low	168 Å²	168	116.3 Å²	116.3	90%	0.898	71%	0.708	S	S	*	*			trans	-70.9	128.3	169.5	-86.1	-79	0	0	0	109.1
169	S	39.2	Very low	45.8	Very low	100 Å²	100	118.4 Å²	118.4	70%	0.699	71%	0.705	S	S	*	*			trans	-147.4	82.5	171	-74.1	0	0	0	0	109.6	S171	S169-S171 VanDerWaalsContact C-N 3.34Å; S169-S171 PolarHBondContact O-N 3.12Å
170	D	33.4	Very low	47.6	Very low	155 Å²	155	112.3 Å²	112.3	83%	0.829	67%	0.672	S	S	*	*			trans	-68	90.6	170.5	-162	4.8	0	0	0	107.9
171	S	38.6	Very low	49.3	Very low	104 Å²	104	110.8 Å²	110.8	73%	0.727	67%	0.672	S	S	*	*			trans	-124.4	148.2	-174.1	-166.2	0	0	0	0	111.8	S169	S169-S171 VanDerWaalsContact C-N 3.34Å; S169-S171 PolarHBondContact O-N 3.12Å
172	S	38.8	Very low	51.3	Low	112 Å²	112	107.3 Å²	107.3	78%	0.783	65%	0.648	S	S	*	*			trans	-74.6	129.6	-162	-62.2	0	0	0	0	115.2
173	S	44	Very low	53	Low	79 Å²	79	103.6 Å²	103.6	55%	0.552	63%	0.627	S	S	*	*			trans	-151.7	85.4	142.3	53	0	0	0	0	109.4	D175	S173-D175 VanDerWaalsContact C-N 3.27Å
174	E	50.5	Low	54.8	Low	119 Å²	119	107.2 Å²	107.2	56%	0.556	63%	0.631	S	S	*	*			trans	-89	-5.6	170.2	-54.9	-151.7	136.6	0	0	111.6	E176 K226 K233	E174-E176 PolarHBondContact O-N 3.16Å; E174-K226 WeakPolarHBondContact O-CE 3.47Å; E174-K226 PolarHBondContact O-NZ 3.45Å; E174-K233 IonicContact OE1-NZ 3.2Å; E174-K233 PolarHBondContact OE1-NZ 3.41Å
175	D	53	Low	56.5	Low	137 Å²	137	106 Å²	106	73%	0.733	62%	0.616	S	S	*	*			trans	-96.4	40.1	-179.9	-42.3	-70.8	0	0	0	112.3	S173 E177	S173-D175 VanDerWaalsContact C-N 3.27Å; D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 PolarHBondContact O-N 2.71Å
176	E	62.4	Low	58.3	Low	71 Å²	71	102.3 Å²	102.3	33%	0.332	59%	0.588	S	S	.	*			trans	-62.8	102.1	154.1	-72.9	173.4	-177.5	0	0	106.8	E174 F222 K226 K229	E174-E176 PolarHBondContact O-N 3.16Å; E176-F222 HydrophobicContact CB-CE2 4.35Å; E176-F222 HydrophobicContact CB-CZ 3.84Å; E176-F222 VanDerWaalsContact O-CZ 3.26Å; E176-F222 WeakPolarHBondContact O-CZ 3.23Å; E176-K226 PolarHBondContact O-NZ 3.48Å; E176-K229 IonicContact OE1-NZ 3.63Å; E176-K229 PolarHBondContact OE1-NZ 3.22Å; E176-K229 IonicContact OE2-NZ 2.62Å; E176-K229 PolarHBondContact OE2-NZ 3.46Å; E176-K229 VanDerWaalsContact OE2-NZ 3.08Å
177	E	68	Low	60.2	Low	150 Å²	150	97.4 Å²	97.4	70%	0.701	55%	0.552	S	S	*	*			trans	-85.7	162.2	169.9	-68.7	-160	119.7	0	0	111.6	D175 H179	D175-E177 VanDerWaalsContact C-N 3.33Å; D175-E177 PolarHBondContact O-N 2.71Å; E177-H179 PolarHBondContact O-N 2.79Å
178	F	75.4	Confident	62.2	Low	56 Å²	56	93.4 Å²	93.4	25%	0.246	53%	0.528	C	S	.	.			trans	-92.7	104.3	-172.5	175.9	-98.6	0	0	0	110.8	D180 R215 L218 K219 F222	F178-D180 HydrophobicContact CE1-CB 3.87Å; F178-D180 WeakPolarHBondContact CE1-OD2 3.33Å; F178-D180 HydrophobicContact CZ-CB 3.74Å; F178-R215 HydrophobicContact CE1-CG 4.31Å; F178-L218 VanDerWaalsContact CE2-C 3.42Å; F178-L218 HydrophobicContact CE2-CB 3.75Å; F178-L218 HydrophobicContact CZ-CB 3.6Å; F178-K219 HydrophobicContact CD1-CB 4.45Å; F178-K219 HydrophobicContact CD1-CG 4.49Å; F178-K219 HydrophobicContact CE1-CB 4.1Å; F178-K219 HydrophobicContact CE2-CB 4.18Å; F178-K219 HydrophobicContact CZ-CB 3.95Å; F178-F222 HydrophobicContact CB-CD1 4.27Å; F178-F222 HydrophobicContact CD2-CB 3.78Å; F178-F222 HydrophobicContact CD2-CD1 4.24Å; F178-F222 AromaticContact CD2-CG 3.95Å; F178-F222 HydrophobicContact CD2-CG 3.95Å; F178-F222 HydrophobicContact CE2-CB 4.2Å
179	H	75.7	Confident	64.4	Low	162 Å²	162	92 Å²	92	75%	0.75	52%	0.521	S	S	*	.			trans	-108.8	126.2	171	-60.2	-77.4	0	0	0	110.5	E177	E177-H179 PolarHBondContact O-N 2.79Å
180	D	80.6	Confident	66.3	Low	30 Å²	30	95.2 Å²	95.2	16%	0.16	53%	0.525	C	S	.	.			trans	-118.8	6.7	176	58.1	-2.4	0	0	0	113.6	F178 Y182 R215 L218	F178-D180 HydrophobicContact CE1-CB 3.87Å; F178-D180 WeakPolarHBondContact CE1-OD2 3.33Å; F178-D180 HydrophobicContact CZ-CB 3.74Å; D180-Y182 WeakPolarHBondContact O-CD2 3.37Å; D180-R215 IonicContact OD1-CZ 3.73Å; D180-R215 IonicContact OD1-NE 3.38Å; D180-R215 IonicContact OD1-NH2 2.7Å; D180-R215 PolarHBondContact OD1-NH2 2.78Å; D180-R215 VanDerWaalsContact OD2-CB 3.3Å; D180-R215 WeakPolarHBondContact OD2-CB 3.36Å; D180-R215 VanDerWaalsContact OD2-CG 3.27Å; D180-R215 WeakPolarHBondContact OD2-CG 3.27Å; D180-R215 IonicContact OD2-CZ 2.63Å; D180-R215 IonicContact OD2-NE 2.69Å; D180-R215 PolarHBondContact OD2-NE 2.84Å; D180-R215 IonicContact OD2-NH2 3.64Å; D180-L218 HydrophobicContact CB-CD1 4.11Å
181	G	75.9	Confident	68.5	Low	70 Å²	70	95.8 Å²	95.8	72%	0.722	52%	0.522	S	S	*	.	S	Bend	trans	89	2.9	176.2	0	0	0	0	0	115.5
182	Y	81.1	Confident	70.7	Confident	84 Å²	84	92.2 Å²	92.2	33%	0.329	50%	0.495	S	S	.	.	S	Bend	trans	-119.8	152.9	178	-60.2	-85.6	0	0	0	111.7	D180 L186 R211 R215	D180-Y182 WeakPolarHBondContact O-CD2 3.37Å; Y182-L186 WeakPolarHBondContact CD1-O 3.14Å; Y182-R211 HydrophobicContact CE1-CG 4.29Å; Y182-R215 PolarHBondContact O-NH2 3.48Å
183	G	74.4	Confident	72.9	Confident	31 Å²	31	91.9 Å²	91.9	32%	0.32	48%	0.477	S	S	.	.			trans	-63.8	179.6	174.4	0	0	0	0	0	113.6	D185 L186 M187 R215	G183-D185 WeakPolarHBondContact CA-OD1 3.26Å; G183-D185 PolarHBondContact O-N 3.21Å; G183-L186 PolarHBondContact O-N 3.15Å; G183-L186 VanDerWaalsContact O-N 3.13Å; G183-M187 PolarHBondContact N-O 3.21Å; G183-R215 PolarHBondContact O-NH1 2.89Å; G183-R215 PolarHBondContact O-NH2 2.88Å
184	E	75.6	Confident	74.8	Confident	193 Å²	193	90.1 Å²	90.1	90%	0.902	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.8	170.7	-169.6	161.1	-150	0	0	111.4	L186	E184-L186 VanDerWaalsContact C-N 3.28Å; E184-L186 PolarHBondContact O-N 3.31Å
185	D	75.2	Confident	76.4	Confident	78 Å²	78	90.8 Å²	90.8	42%	0.417	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.3	172.4	64.6	-9.4	0	0	0	114.8	G183 M187 R193	G183-D185 WeakPolarHBondContact CA-OD1 3.26Å; G183-D185 PolarHBondContact O-N 3.21Å; D185-M187 HydrophobicContact CB-CG 4.02Å; D185-M187 PolarHBondContact O-N 3.21Å; D185-M187 WeakPolarHBondContact OD1-CB 3.41Å; D185-M187 PolarHBondContact OD1-N 3.47Å; D185-M187 WeakPolarHBondContact OD2-CB 3.45Å; D185-M187 WeakPolarHBondContact OD2-CG 3.43Å; D185-R193 IonicContact OD2-NH2 2.74Å; D185-R193 PolarHBondContact OD2-NH2 2.88Å
186	L	75.3	Confident	77.8	Confident	27 Å²	27	84.3 Å²	84.3	14%	0.141	43%	0.429	C	S	.	.	S	Bend	trans	59.3	14.6	-171.1	-66.3	91.6	0	0	0	115.3	Y182 G183 E184 L208 R211 I212	Y182-L186 WeakPolarHBondContact CD1-O 3.14Å; G183-L186 PolarHBondContact O-N 3.15Å; G183-L186 VanDerWaalsContact O-N 3.13Å; E184-L186 VanDerWaalsContact C-N 3.28Å; E184-L186 PolarHBondContact O-N 3.31Å; L186-L208 HydrophobicContact CB-CD2 4.03Å; L186-R211 HydrophobicContact CD2-CB 3.82Å; L186-R211 WeakPolarHBondContact O-CD 3.25Å; L186-R211 PolarHBondContact O-NH1 3.19Å; L186-I212 HydrophobicContact CD2-CB 4.26Å; L186-I212 HydrophobicContact CD2-CG1 3.55Å
187	M	74.7	Confident	78.8	Confident	14 Å²	14	86.5 Å²	86.5	7%	0.069	44%	0.44	C	S	.	.			trans	-82.8	150	170.4	-50.8	-65.3	-77.8	0	0	109.2	G183 D185 R193 L196 L208	G183-M187 PolarHBondContact N-O 3.21Å; D185-M187 HydrophobicContact CB-CG 4.02Å; D185-M187 PolarHBondContact O-N 3.21Å; D185-M187 WeakPolarHBondContact OD1-CB 3.41Å; D185-M187 PolarHBondContact OD1-N 3.47Å; D185-M187 WeakPolarHBondContact OD2-CB 3.45Å; D185-M187 WeakPolarHBondContact OD2-CG 3.43Å; M187-R193 HydrophobicContact CE-CB 3.91Å; M187-R193 HydrophobicContact CE-CG 3.72Å; M187-L196 HydrophobicContact CE-CB 4.07Å; M187-L196 HydrophobicContact CE-CD1 3.57Å; M187-L196 HydrophobicContact CE-CG 4.48Å; M187-L196 HydrophobicContact SD-CD1 3.54Å; M187-L196 VanDerWaalsContact SD-CD1 3.54Å; M187-L208 HydrophobicContact SD-CD2 4.41Å
188	G	78.7	Confident	79.6	Confident	21 Å²	21	87.4 Å²	87.4	22%	0.216	44%	0.444	C	S	.	.			trans	-89.5	-146.9	169	0	0	0	0	0	111.6	D192	G188-D192 PolarHBondContact N-OD2 2.94Å
189	D	81.1	Confident	79.8	Confident	140 Å²	140	87.1 Å²	87.1	75%	0.749	44%	0.444	S	S	*	.	S	Bend	trans	-64.6	173.3	173.7	-58.7	-58.9	0	0	0	112.9	E191 D192 R193	D189-E191 VanDerWaalsContact C-N 3.27Å; D189-E191 PolarHBondContact O-N 2.91Å; D189-D192 WeakPolarHBondContact O-CB 3.32Å; D189-D192 PolarHBondContact O-N 2.82Å; D189-R193 PolarHBondContact O-N 3.22Å
190	E	79.3	Confident	80.2	Confident	167 Å²	167	83.7 Å²	83.7	78%	0.78	43%	0.434	S	S	*	.	H	α-helix	trans	-56.6	-35.9	-175.1	-171.4	168.8	-154.9	0	0	113.8	R193 A194	E190-R193 PolarHBondContact O-N 2.74Å; E190-A194 PolarHBondContact O-N 2.95Å
191	E	79.8	Confident	80.4	Confident	167 Å²	167	90 Å²	90	78%	0.78	46%	0.463	S	S	*	.	H	α-helix	trans	-65.7	-36.6	174.9	-174.5	173.9	-163.7	0	0	112.5	D189 A194 R195	D189-E191 VanDerWaalsContact C-N 3.27Å; D189-E191 PolarHBondContact O-N 2.91Å; E191-A194 PolarHBondContact O-N 3.35Å; E191-R195 WeakPolarHBondContact O-CB 3.46Å; E191-R195 PolarHBondContact O-N 2.93Å
192	D	85.3	Confident	80.7	Confident	29 Å²	29	93.3 Å²	93.3	16%	0.155	46%	0.458	C	S	.	.	H	α-helix	trans	-70.9	-37.9	175.9	179.7	69.1	0	0	0	111.6	G188 D189 R195 L196 R211	G188-D192 PolarHBondContact N-OD2 2.94Å; D189-D192 WeakPolarHBondContact O-CB 3.32Å; D189-D192 PolarHBondContact O-N 2.82Å; D192-R195 PolarHBondContact O-N 3.03Å; D192-L196 WeakPolarHBondContact O-CB 3.36Å; D192-L196 WeakPolarHBondContact O-CG 3.28Å; D192-L196 PolarHBondContact O-N 2.87Å; D192-R211 VanDerWaalsContact CG-NH2 3.33Å; D192-R211 IonicContact OD1-CZ 2.7Å; D192-R211 IonicContact OD1-NH1 2.7Å; D192-R211 IonicContact OD1-NH2 3.56Å; D192-R211 PolarHBondContact OD1-NH2 2.89Å; D192-R211 IonicContact OD2-CZ 2.8Å; D192-R211 IonicContact OD2-NH1 2.78Å; D192-R211 PolarHBondContact OD2-NH1 2.88Å; D192-R211 IonicContact OD2-NH2 3.77Å; D192-R211 PolarHBondContact OD2-NH2 3.29Å
193	R	84.6	Confident	81	Confident	105 Å²	105	93.6 Å²	93.6	40%	0.396	46%	0.462	S	S	.	.	H	α-helix	trans	-61.5	-47.6	172.1	-179.1	171.6	-70	145.5	-2.6	111.5	D185 M187 D189 E190 R195 L196 E197	D185-R193 IonicContact OD2-NH2 2.74Å; D185-R193 PolarHBondContact OD2-NH2 2.88Å; M187-R193 HydrophobicContact CE-CB 3.91Å; M187-R193 HydrophobicContact CE-CG 3.72Å; D189-R193 PolarHBondContact O-N 3.22Å; E190-R193 PolarHBondContact O-N 2.74Å; R193-R195 VanDerWaalsContact C-N 3.33Å; R193-R195 PolarHBondContact O-N 3.46Å; R193-L196 PolarHBondContact O-N 3.44Å; R193-E197 PolarHBondContact O-N 2.84Å
194	A	85.3	Confident	81.6	Confident	41 Å²	41	96 Å²	96	34%	0.339	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-39.1	175.5	0	0	0	0	0	112.5	E190 E191 E197 Q198	E190-A194 PolarHBondContact O-N 2.95Å; E191-A194 PolarHBondContact O-N 3.35Å; A194-E197 PolarHBondContact O-N 3.33Å; A194-Q198 WeakPolarHBondContact O-CG 3.34Å; A194-Q198 PolarHBondContact O-N 2.88Å
195	R	84	Confident	82.2	Confident	133 Å²	133	93.3 Å²	93.3	50%	0.502	45%	0.449	S	S	.	.	H	α-helix	trans	-65.8	-40.5	176.1	-176.6	175.7	172.5	-117.4	-13.9	112.4	E191 D192 R193 E197 Q198 M199	E191-R195 WeakPolarHBondContact O-CB 3.46Å; E191-R195 PolarHBondContact O-N 2.93Å; D192-R195 PolarHBondContact O-N 3.03Å; R193-R195 VanDerWaalsContact C-N 3.33Å; R193-R195 PolarHBondContact O-N 3.46Å; R195-E197 VanDerWaalsContact C-N 3.3Å; R195-E197 PolarHBondContact O-N 2.74Å; R195-Q198 PolarHBondContact O-N 2.94Å; R195-M199 WeakPolarHBondContact O-CG 3.12Å; R195-M199 PolarHBondContact O-N 3.39Å
196	L	81.1	Confident	82.7	Confident	2 Å²	2	94.6 Å²	94.6	1%	0.01	45%	0.452	C	S	.	.	H	α-helix	trans	-68.3	-27.7	175.8	-77.6	172.2	0	0	0	113.1	M187 D192 R193 R204 E207	M187-L196 HydrophobicContact CE-CB 4.07Å; M187-L196 HydrophobicContact CE-CD1 3.57Å; M187-L196 HydrophobicContact CE-CG 4.48Å; M187-L196 HydrophobicContact SD-CD1 3.54Å; M187-L196 VanDerWaalsContact SD-CD1 3.54Å; D192-L196 WeakPolarHBondContact O-CB 3.36Å; D192-L196 WeakPolarHBondContact O-CG 3.28Å; D192-L196 PolarHBondContact O-N 2.87Å; R193-L196 PolarHBondContact O-N 3.44Å; L196-R204 HydrophobicContact CB-CG 4.31Å; L196-R204 HydrophobicContact CD2-CG 4.2Å; L196-R204 VanDerWaalsContact O-CD 3.31Å; L196-R204 WeakPolarHBondContact O-CD 3.1Å; L196-R204 WeakPolarHBondContact O-CG 3.21Å; L196-E207 HydrophobicContact CD2-CB 3.82Å; L196-E207 HydrophobicContact CD2-CG 3.81Å
197	E	83.7	Confident	83.2	Confident	117 Å²	117	95.7 Å²	95.7	55%	0.547	46%	0.456	S	S	.	.	H	α-helix	trans	-78.3	-21	174.4	-76.9	169.6	-170.4	0	0	113.8	R193 A194 R195 R204	R193-E197 PolarHBondContact O-N 2.84Å; A194-E197 PolarHBondContact O-N 3.33Å; R195-E197 VanDerWaalsContact C-N 3.3Å; R195-E197 PolarHBondContact O-N 2.74Å; E197-R204 IonicContact OE1-NH2 2.66Å
198	Q	84.4	Confident	83.7	Confident	168 Å²	168	97 Å²	97	79%	0.785	46%	0.463	S	S	*	.	H	α-helix	trans	-88.8	-12.9	174.6	-69.2	174.5	30.2	0	0	114	A194 R195	A194-Q198 WeakPolarHBondContact O-CG 3.34Å; A194-Q198 PolarHBondContact O-N 2.88Å; R195-Q198 PolarHBondContact O-N 2.94Å
199	M	78.9	Confident	84.1	Confident	50 Å²	50	102.1 Å²	102.1	25%	0.246	48%	0.48	C	S	.	.	S	Bend	trans	-81.2	151.7	176.6	-66.1	-111.2	-74.6	0	0	111.1	R195 E203 E207	R195-M199 WeakPolarHBondContact O-CG 3.12Å; R195-M199 PolarHBondContact O-N 3.39Å; M199-E203 HydrophobicContact CB-CB 4.18Å; M199-E203 HydrophobicContact CE-CB 3.93Å; M199-E203 HydrophobicContact SD-CB 4.33Å; M199-E207 HydrophobicContact CE-CB 4.21Å
200	T	84.1	Confident	84.5	Confident	90 Å²	90	98.8 Å²	98.8	55%	0.552	46%	0.462	S	S	*	.			trans	-57.1	145.3	172.7	-44.7	0	0	0	0	109.7	K202 E203 R204	T200-K202 PolarHBondContact O-N 2.9Å; T200-K202 VanDerWaalsContact O-N 3.08Å; T200-E203 WeakPolarHBondContact CB-OE2 3.18Å; T200-E203 PolarHBondContact N-OE2 3.28Å; T200-E203 VanDerWaalsContact N-OE2 3.17Å; T200-E203 CarbonylContact O-C 3.54Å; T200-E203 WeakPolarHBondContact O-CA 3.2Å; T200-E203 WeakPolarHBondContact O-CB 3.37Å; T200-E203 PolarHBondContact O-N 2.81Å; T200-E203 PolarHBondContact OG1-OE2 3.41Å; T200-R204 PolarHBondContact O-N 2.86Å
201	E	85.1	Confident	84.9	Confident	164 Å²	164	91.2 Å²	91.2	77%	0.766	43%	0.426	S	S	*	.	H	α-helix	trans	-47.2	-45.4	-179.6	-63.9	175.5	150.8	0	0	112.7	E203 R204 E205	E201-E203 VanDerWaalsContact C-N 3.34Å; E201-E203 PolarHBondContact O-N 2.92Å; E201-R204 WeakPolarHBondContact O-CB 3.44Å; E201-R204 PolarHBondContact O-N 3.48Å; E201-E205 WeakPolarHBondContact O-CB 3.41Å; E201-E205 WeakPolarHBondContact O-CG 3.3Å; E201-E205 PolarHBondContact O-N 3.41Å
202	K	83	Confident	85.3	Confident	139 Å²	139	87.6 Å²	87.6	60%	0.604	41%	0.412	S	S	*	.	H	α-helix	trans	-61.6	-34.8	175	-178.8	179.3	178	-178.4	0	114.4	T200 Q206	T200-K202 PolarHBondContact O-N 2.9Å; T200-K202 VanDerWaalsContact O-N 3.08Å; K202-Q206 WeakPolarHBondContact O-CB 3.22Å; K202-Q206 VanDerWaalsContact O-CG 3.25Å; K202-Q206 WeakPolarHBondContact O-CG 3.34Å; K202-Q206 PolarHBondContact O-N 3.36Å; K202-Q206 VanDerWaalsContact O-N 3.15Å
203	E	86.8	Confident	85.4	Confident	89 Å²	89	91.6 Å²	91.6	42%	0.416	43%	0.429	S	S	.	.	H	α-helix	trans	-78.6	-38.5	178.1	-64.3	172.9	132	0	0	110.4	M199 T200 E201 Q206 E207	M199-E203 HydrophobicContact CB-CB 4.18Å; M199-E203 HydrophobicContact CE-CB 3.93Å; M199-E203 HydrophobicContact SD-CB 4.33Å; T200-E203 WeakPolarHBondContact CB-OE2 3.18Å; T200-E203 PolarHBondContact N-OE2 3.28Å; T200-E203 VanDerWaalsContact N-OE2 3.17Å; T200-E203 CarbonylContact O-C 3.54Å; T200-E203 WeakPolarHBondContact O-CA 3.2Å; T200-E203 WeakPolarHBondContact O-CB 3.37Å; T200-E203 PolarHBondContact O-N 2.81Å; T200-E203 PolarHBondContact OG1-OE2 3.41Å; E201-E203 VanDerWaalsContact C-N 3.34Å; E201-E203 PolarHBondContact O-N 2.92Å; E203-Q206 PolarHBondContact O-N 3.48Å; E203-E207 WeakPolarHBondContact O-CB 3.5Å; E203-E207 PolarHBondContact O-N 3.1Å
204	R	88	Confident	85.6	Confident	83 Å²	83	92.1 Å²	92.1	31%	0.313	43%	0.434	S	S	.	.	H	α-helix	trans	-58.4	-48.2	170.4	-177.1	-176.3	-174.9	149.8	6	111.3	L196 E197 T200 E201 Q206 E207 L208	L196-R204 HydrophobicContact CB-CG 4.31Å; L196-R204 HydrophobicContact CD2-CG 4.2Å; L196-R204 VanDerWaalsContact O-CD 3.31Å; L196-R204 WeakPolarHBondContact O-CD 3.1Å; L196-R204 WeakPolarHBondContact O-CG 3.21Å; E197-R204 IonicContact OE1-NH2 2.66Å; T200-R204 PolarHBondContact O-N 2.86Å; E201-R204 WeakPolarHBondContact O-CB 3.44Å; E201-R204 PolarHBondContact O-N 3.48Å; R204-Q206 PolarHBondContact O-N 2.95Å; R204-E207 PolarHBondContact O-N 3.27Å; R204-L208 HydrophobicContact CG-CD1 4.19Å; R204-L208 WeakPolarHBondContact O-CB 3.38Å; R204-L208 WeakPolarHBondContact O-CG 3.32Å; R204-L208 PolarHBondContact O-N 3.3Å
205	E	87.1	Confident	85.8	Confident	136 Å²	136	92.7 Å²	92.7	64%	0.636	43%	0.428	S	S	*	.	H	α-helix	trans	-61.7	-39.2	174.7	-76.8	-177.1	167	0	0	112.7	E201 L208 F209	E201-E205 WeakPolarHBondContact O-CB 3.41Å; E201-E205 WeakPolarHBondContact O-CG 3.3Å; E201-E205 PolarHBondContact O-N 3.41Å; E205-L208 PolarHBondContact O-N 3.26Å; E205-F209 VanDerWaalsContact O-CB 3.32Å; E205-F209 WeakPolarHBondContact O-CB 3.26Å; E205-F209 PolarHBondContact O-N 2.87Å
206	Q	86.8	Confident	86	Confident	105 Å²	105	90.9 Å²	90.9	49%	0.491	43%	0.425	S	S	.	.	H	α-helix	trans	-68.9	-41.1	176.7	-77.5	179.6	5.5	0	0	112.5	K202 E203 R204 F209 N210	K202-Q206 WeakPolarHBondContact O-CB 3.22Å; K202-Q206 VanDerWaalsContact O-CG 3.25Å; K202-Q206 WeakPolarHBondContact O-CG 3.34Å; K202-Q206 PolarHBondContact O-N 3.36Å; K202-Q206 VanDerWaalsContact O-N 3.15Å; E203-Q206 PolarHBondContact O-N 3.48Å; R204-Q206 PolarHBondContact O-N 2.95Å; Q206-F209 PolarHBondContact O-N 3Å; Q206-N210 WeakPolarHBondContact O-CB 3.23Å; Q206-N210 PolarHBondContact O-N 3.29Å; Q206-N210 PolarHBondContact O-ND2 3.06Å
207	E	84.7	Confident	86.4	Confident	49 Å²	49	95 Å²	95	23%	0.229	45%	0.45	C	S	.	.	H	α-helix	trans	-63.1	-42.4	174.8	-164.1	73.3	-127.3	0	0	110.7	L196 M199 E203 R204 N210 R211	L196-E207 HydrophobicContact CD2-CB 3.82Å; L196-E207 HydrophobicContact CD2-CG 3.81Å; M199-E207 HydrophobicContact CE-CB 4.21Å; E203-E207 WeakPolarHBondContact O-CB 3.5Å; E203-E207 PolarHBondContact O-N 3.1Å; R204-E207 PolarHBondContact O-N 3.27Å; E207-N210 PolarHBondContact O-N 2.62Å; E207-R211 VanDerWaalsContact O-CG 3.31Å; E207-R211 WeakPolarHBondContact O-CG 3.44Å; E207-R211 PolarHBondContact O-N 2.85Å; E207-R211 VanDerWaalsContact O-N 3.15Å
208	L	86.1	Confident	86.6	Confident	42 Å²	42	92.9 Å²	92.9	22%	0.22	44%	0.442	C	S	.	.	H	α-helix	trans	-62	-48	172.3	-81.7	161.2	0	0	0	112.5	L186 M187 R204 E205 N210 R211 I212	L186-L208 HydrophobicContact CB-CD2 4.03Å; M187-L208 HydrophobicContact SD-CD2 4.41Å; R204-L208 HydrophobicContact CG-CD1 4.19Å; R204-L208 WeakPolarHBondContact O-CB 3.38Å; R204-L208 WeakPolarHBondContact O-CG 3.32Å; R204-L208 PolarHBondContact O-N 3.3Å; E205-L208 PolarHBondContact O-N 3.26Å; L208-N210 VanDerWaalsContact C-N 3.33Å; L208-N210 PolarHBondContact O-N 2.65Å; L208-R211 WeakPolarHBondContact O-CA 3.45Å; L208-R211 WeakPolarHBondContact O-CB 3.45Å; L208-R211 PolarHBondContact O-N 3.13Å; L208-I212 WeakPolarHBondContact O-CG1 3.4Å; L208-I212 PolarHBondContact O-N 3.49Å
209	F	87.7	Confident	86.8	Confident	128 Å²	128	90.2 Å²	90.2	56%	0.561	43%	0.428	S	S	*	.	H	α-helix	trans	-58.2	-44.6	177.3	-178.7	-90.3	0	0	0	112	E205 Q206 R211 I212 E213	E205-F209 VanDerWaalsContact O-CB 3.32Å; E205-F209 WeakPolarHBondContact O-CB 3.26Å; E205-F209 PolarHBondContact O-N 2.87Å; Q206-F209 PolarHBondContact O-N 3Å; F209-R211 PolarHBondContact O-N 3.01Å; F209-I212 PolarHBondContact O-N 2.92Å; F209-I212 VanDerWaalsContact O-N 3.11Å; F209-E213 PolarHBondContact O-N 3.04Å
210	N	88.6	Confident	87.2	Confident	71 Å²	71	94.8 Å²	94.8	38%	0.38	44%	0.443	S	S	.	.	H	α-helix	trans	-61.6	-28.5	175.6	-69.8	-30.2	0	0	0	112.5	Q206 E207 L208 K214	Q206-N210 WeakPolarHBondContact O-CB 3.23Å; Q206-N210 PolarHBondContact O-N 3.29Å; Q206-N210 PolarHBondContact O-ND2 3.06Å; E207-N210 PolarHBondContact O-N 2.62Å; L208-N210 VanDerWaalsContact C-N 3.33Å; L208-N210 PolarHBondContact O-N 2.65Å; N210-K214 WeakPolarHBondContact O-CD 3.49Å; N210-K214 WeakPolarHBondContact O-CG 3.48Å; N210-K214 PolarHBondContact O-N 2.92Å
211	R	87.6	Confident	87.4	Confident	7 Å²	7	99.4 Å²	99.4	3%	0.026	45%	0.45	C	S	.	.	H	α-helix	trans	-76.9	-39.3	172.3	-65.8	166.2	-167.1	-149.9	-2.8	112.1	Y182 L186 D192 E207 L208 F209 E213 K214 R215	Y182-R211 HydrophobicContact CE1-CG 4.29Å; L186-R211 HydrophobicContact CD2-CB 3.82Å; L186-R211 WeakPolarHBondContact O-CD 3.25Å; L186-R211 PolarHBondContact O-NH1 3.19Å; D192-R211 VanDerWaalsContact CG-NH2 3.33Å; D192-R211 IonicContact OD1-CZ 2.7Å; D192-R211 IonicContact OD1-NH1 2.7Å; D192-R211 IonicContact OD1-NH2 3.56Å; D192-R211 PolarHBondContact OD1-NH2 2.89Å; D192-R211 IonicContact OD2-CZ 2.8Å; D192-R211 IonicContact OD2-NH1 2.78Å; D192-R211 PolarHBondContact OD2-NH1 2.88Å; D192-R211 IonicContact OD2-NH2 3.77Å; D192-R211 PolarHBondContact OD2-NH2 3.29Å; E207-R211 VanDerWaalsContact O-CG 3.31Å; E207-R211 WeakPolarHBondContact O-CG 3.44Å; E207-R211 PolarHBondContact O-N 2.85Å; E207-R211 VanDerWaalsContact O-N 3.15Å; L208-R211 WeakPolarHBondContact O-CA 3.45Å; L208-R211 WeakPolarHBondContact O-CB 3.45Å; L208-R211 PolarHBondContact O-N 3.13Å; F209-R211 PolarHBondContact O-N 3.01Å; R211-E213 VanDerWaalsContact C-N 3.35Å; R211-E213 PolarHBondContact O-N 3.43Å; R211-K214 PolarHBondContact O-N 3.48Å; R211-R215 VanDerWaalsContact O-CB 3.27Å; R211-R215 WeakPolarHBondContact O-CB 3.47Å; R211-R215 PolarHBondContact O-N 3.36Å
212	I	87.7	Confident	87.6	Confident	91 Å²	91	93.8 Å²	93.8	47%	0.467	42%	0.423	S	S	.	.	H	α-helix	trans	-57.9	-48.3	174.9	-63.2	170.6	0	0	0	110.2	L186 L208 F209 R215 E216	L186-I212 HydrophobicContact CD2-CB 4.26Å; L186-I212 HydrophobicContact CD2-CG1 3.55Å; L208-I212 WeakPolarHBondContact O-CG1 3.4Å; L208-I212 PolarHBondContact O-N 3.49Å; F209-I212 PolarHBondContact O-N 2.92Å; F209-I212 VanDerWaalsContact O-N 3.11Å; I212-R215 PolarHBondContact O-N 3.5Å; I212-E216 PolarHBondContact O-N 3.38Å
213	E	87.7	Confident	88	Confident	114 Å²	114	91.3 Å²	91.3	53%	0.533	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-43.5	179.2	-169.9	176	-152.1	0	0	111.8	F209 R211 E216 V217	F209-E213 PolarHBondContact O-N 3.04Å; R211-E213 VanDerWaalsContact C-N 3.35Å; R211-E213 PolarHBondContact O-N 3.43Å; E213-E216 PolarHBondContact O-N 2.94Å; E213-V217 WeakPolarHBondContact O-CB 3.24Å; E213-V217 WeakPolarHBondContact O-CG2 3.29Å; E213-V217 PolarHBondContact O-N 3.33Å
214	K	88.2	Confident	87.9	Confident	115 Å²	115	92.3 Å²	92.3	50%	0.5	42%	0.421	S	S	.	.	H	α-helix	trans	-59.9	-46.9	173.7	-74.8	169.5	-174.4	171.9	0	112.1	N210 R211 E216 V217 L218	N210-K214 WeakPolarHBondContact O-CD 3.49Å; N210-K214 WeakPolarHBondContact O-CG 3.48Å; N210-K214 PolarHBondContact O-N 2.92Å; R211-K214 PolarHBondContact O-N 3.48Å; K214-E216 VanDerWaalsContact C-N 3.34Å; K214-E216 PolarHBondContact O-N 3.39Å; K214-V217 PolarHBondContact O-N 2.9Å; K214-L218 WeakPolarHBondContact O-CB 3.41Å; K214-L218 VanDerWaalsContact O-CG 3.3Å; K214-L218 WeakPolarHBondContact O-CG 3.3Å; K214-L218 PolarHBondContact O-N 3.18Å
215	R	90	Very high	87.8	Confident	54 Å²	54	94.9 Å²	94.9	20%	0.204	43%	0.434	C	S	.	.	H	α-helix	trans	-58	-45.1	176.2	169.3	164.2	-86.5	-177.4	-1.3	110.6	F178 D180 Y182 G183 R211 I212 K219	F178-R215 HydrophobicContact CE1-CG 4.31Å; D180-R215 IonicContact OD1-CZ 3.73Å; D180-R215 IonicContact OD1-NE 3.38Å; D180-R215 IonicContact OD1-NH2 2.7Å; D180-R215 PolarHBondContact OD1-NH2 2.78Å; D180-R215 VanDerWaalsContact OD2-CB 3.3Å; D180-R215 WeakPolarHBondContact OD2-CB 3.36Å; D180-R215 VanDerWaalsContact OD2-CG 3.27Å; D180-R215 WeakPolarHBondContact OD2-CG 3.27Å; D180-R215 IonicContact OD2-CZ 2.63Å; D180-R215 IonicContact OD2-NE 2.69Å; D180-R215 PolarHBondContact OD2-NE 2.84Å; D180-R215 IonicContact OD2-NH2 3.64Å; Y182-R215 PolarHBondContact O-NH2 3.48Å; G183-R215 PolarHBondContact O-NH1 2.89Å; G183-R215 PolarHBondContact O-NH2 2.88Å; R211-R215 VanDerWaalsContact O-CB 3.27Å; R211-R215 WeakPolarHBondContact O-CB 3.47Å; R211-R215 PolarHBondContact O-N 3.36Å; I212-R215 PolarHBondContact O-N 3.5Å; R215-K219 WeakPolarHBondContact O-CB 3.28Å; R215-K219 PolarHBondContact O-N 3.46Å
216	E	88.6	Confident	87.9	Confident	94 Å²	94	92.2 Å²	92.2	44%	0.439	42%	0.421	S	S	.	.	H	α-helix	trans	-67.5	-44.2	178.8	-147.6	-151.5	155.7	0	0	112.5	I212 E213 K214 L218 K219 R220	I212-E216 PolarHBondContact O-N 3.38Å; E213-E216 PolarHBondContact O-N 2.94Å; K214-E216 VanDerWaalsContact C-N 3.34Å; K214-E216 PolarHBondContact O-N 3.39Å; E216-L218 PolarHBondContact O-N 3.13Å; E216-K219 PolarHBondContact O-N 3.01Å; E216-R220 VanDerWaalsContact CD-NH2 3.34Å; E216-R220 WeakPolarHBondContact O-CB 3.46Å; E216-R220 VanDerWaalsContact O-CG 3.3Å; E216-R220 WeakPolarHBondContact O-CG 3.22Å; E216-R220 PolarHBondContact O-N 3.38Å; E216-R220 IonicContact OE1-CZ 3.06Å; E216-R220 IonicContact OE1-NE 3.08Å; E216-R220 PolarHBondContact OE1-NE 3.23Å; E216-R220 IonicContact OE1-NH2 3.93Å; E216-R220 PolarHBondContact OE1-NH2 3.02Å; E216-R220 IonicContact OE2-CZ 2.67Å; E216-R220 IonicContact OE2-NE 2.61Å; E216-R220 IonicContact OE2-NH2 3.62Å; E216-R220 PolarHBondContact OE2-NH2 3.03Å
217	V	88.8	Confident	88	Confident	90 Å²	90	93.2 Å²	93.2	55%	0.545	42%	0.423	S	S	.	.	H	α-helix	trans	-61.1	-44.7	176.8	169	0	0	0	0	111.3	E213 K214 R221	E213-V217 WeakPolarHBondContact O-CB 3.24Å; E213-V217 WeakPolarHBondContact O-CG2 3.29Å; E213-V217 PolarHBondContact O-N 3.33Å; K214-V217 PolarHBondContact O-N 2.9Å; V217-R221 WeakPolarHBondContact O-CB 3.38Å; V217-R221 PolarHBondContact O-N 3.09Å
218	L	87.9	Confident	88.1	Confident	72 Å²	72	95.2 Å²	95.2	38%	0.377	44%	0.435	S	S	.	.	H	α-helix	trans	-66	-42	176.8	-73.1	173.6	0	0	0	111.7	F178 D180 K214 E216 R221 F222	F178-L218 VanDerWaalsContact CE2-C 3.42Å; F178-L218 HydrophobicContact CE2-CB 3.75Å; F178-L218 HydrophobicContact CZ-CB 3.6Å; D180-L218 HydrophobicContact CB-CD1 4.11Å; K214-L218 WeakPolarHBondContact O-CB 3.41Å; K214-L218 VanDerWaalsContact O-CG 3.3Å; K214-L218 WeakPolarHBondContact O-CG 3.3Å; K214-L218 PolarHBondContact O-N 3.18Å; E216-L218 PolarHBondContact O-N 3.13Å; L218-R221 WeakPolarHBondContact O-CB 3.24Å; L218-R221 PolarHBondContact O-N 3.38Å; L218-F222 WeakPolarHBondContact O-CB 3.46Å; L218-F222 PolarHBondContact O-N 2.98Å
219	K	88.5	Confident	88	Confident	112 Å²	112	98.2 Å²	98.2	49%	0.487	45%	0.446	S	S	.	.	H	α-helix	trans	-65	-44.7	177.8	-170	169.8	-176.4	171.3	0	111.8	F178 R215 E216 R221 F222 E223	F178-K219 HydrophobicContact CD1-CB 4.45Å; F178-K219 HydrophobicContact CD1-CG 4.49Å; F178-K219 HydrophobicContact CE1-CB 4.1Å; F178-K219 HydrophobicContact CE2-CB 4.18Å; F178-K219 HydrophobicContact CZ-CB 3.95Å; R215-K219 WeakPolarHBondContact O-CB 3.28Å; R215-K219 PolarHBondContact O-N 3.46Å; E216-K219 PolarHBondContact O-N 3.01Å; K219-R221 PolarHBondContact O-N 3.03Å; K219-F222 PolarHBondContact O-N 3.4Å; K219-E223 PolarHBondContact O-N 3.18Å
220	R	88.7	Confident	87.8	Confident	145 Å²	145	95.3 Å²	95.3	55%	0.547	44%	0.439	S	S	.	.	H	α-helix	trans	-58.2	-44.9	170.9	-72.4	178.2	-177.4	-165.9	10.3	111.5	E216 F222 E223 I224	E216-R220 VanDerWaalsContact CD-NH2 3.34Å; E216-R220 WeakPolarHBondContact O-CB 3.46Å; E216-R220 VanDerWaalsContact O-CG 3.3Å; E216-R220 WeakPolarHBondContact O-CG 3.22Å; E216-R220 PolarHBondContact O-N 3.38Å; E216-R220 IonicContact OE1-CZ 3.06Å; E216-R220 IonicContact OE1-NE 3.08Å; E216-R220 PolarHBondContact OE1-NE 3.23Å; E216-R220 IonicContact OE1-NH2 3.93Å; E216-R220 PolarHBondContact OE1-NH2 3.02Å; E216-R220 IonicContact OE2-CZ 2.67Å; E216-R220 IonicContact OE2-NE 2.61Å; E216-R220 IonicContact OE2-NH2 3.62Å; E216-R220 PolarHBondContact OE2-NH2 3.03Å; R220-F222 PolarHBondContact O-N 2.87Å; R220-E223 PolarHBondContact O-N 2.91Å; R220-I224 WeakPolarHBondContact O-CD1 3.41Å; R220-I224 VanDerWaalsContact O-CG1 3.26Å; R220-I224 WeakPolarHBondContact O-CG1 3.34Å; R220-I224 PolarHBondContact O-N 2.88Å
221	R	88.4	Confident	87.8	Confident	187 Å²	187	94.5 Å²	94.5	71%	0.706	44%	0.442	S	S	*	.	H	α-helix	trans	-62.6	-40.4	176.8	-171.3	-177.7	-174.6	-161.3	3.1	111.8	V217 L218 K219 I224 K225	V217-R221 WeakPolarHBondContact O-CB 3.38Å; V217-R221 PolarHBondContact O-N 3.09Å; L218-R221 WeakPolarHBondContact O-CB 3.24Å; L218-R221 PolarHBondContact O-N 3.38Å; K219-R221 PolarHBondContact O-N 3.03Å; R221-I224 PolarHBondContact O-N 3.01Å; R221-K225 WeakPolarHBondContact O-CB 3.34Å; R221-K225 PolarHBondContact O-N 3.41Å
222	F	89.8	Confident	87.8	Confident	46 Å²	46	100.7 Å²	100.7	20%	0.202	47%	0.469	C	S	.	.	H	α-helix	trans	-66.7	-45.6	177.2	-176	-101.7	0	0	0	112.1	E176 F178 L218 K219 R220 I224 K225 K226	E176-F222 HydrophobicContact CB-CE2 4.35Å; E176-F222 HydrophobicContact CB-CZ 3.84Å; E176-F222 VanDerWaalsContact O-CZ 3.26Å; E176-F222 WeakPolarHBondContact O-CZ 3.23Å; F178-F222 HydrophobicContact CB-CD1 4.27Å; F178-F222 HydrophobicContact CD2-CB 3.78Å; F178-F222 HydrophobicContact CD2-CD1 4.24Å; F178-F222 AromaticContact CD2-CG 3.95Å; F178-F222 HydrophobicContact CD2-CG 3.95Å; F178-F222 HydrophobicContact CE2-CB 4.2Å; L218-F222 WeakPolarHBondContact O-CB 3.46Å; L218-F222 PolarHBondContact O-N 2.98Å; K219-F222 PolarHBondContact O-N 3.4Å; R220-F222 PolarHBondContact O-N 2.87Å; F222-I224 VanDerWaalsContact C-N 3.34Å; F222-I224 PolarHBondContact O-N 3.48Å; F222-K225 CarbonylContact O-C 3.55Å; F222-K225 WeakPolarHBondContact O-CB 3.35Å; F222-K225 PolarHBondContact O-N 2.9Å; F222-K225 VanDerWaalsContact O-N 3.14Å; F222-K226 HydrophobicContact CE1-CD 4.13Å; F222-K226 HydrophobicContact CZ-CD 4.48Å; F222-K226 PolarHBondContact O-N 2.94Å
223	E	89.5	Confident	87.7	Confident	88 Å²	88	100.9 Å²	100.9	41%	0.411	47%	0.467	S	S	.	.	H	α-helix	trans	-57.2	-45.7	172.8	-82.7	-168.4	-135.9	0	0	112.4	K219 R220 K225 K226 K227	K219-E223 PolarHBondContact O-N 3.18Å; R220-E223 PolarHBondContact O-N 2.91Å; E223-K225 VanDerWaalsContact C-N 3.32Å; E223-K225 PolarHBondContact O-N 3.44Å; E223-K226 PolarHBondContact O-N 3.27Å; E223-K227 WeakPolarHBondContact O-CB 3.45Å; E223-K227 WeakPolarHBondContact O-CD 3.16Å; E223-K227 VanDerWaalsContact O-CG 3.24Å; E223-K227 WeakPolarHBondContact O-CG 3.28Å; E223-K227 PolarHBondContact O-N 3.43Å; E223-K227 IonicContact OE2-NZ 3.54Å; E223-K227 PolarHBondContact OE2-NZ 2.88Å
224	I	85.8	Confident	87.6	Confident	109 Å²	109	103 Å²	103	56%	0.559	47%	0.474	S	S	*	.	H	α-helix	trans	-59.7	-45.1	175.9	-69	164	0	0	0	109.7	R220 R221 F222 K226 K227 L228	R220-I224 WeakPolarHBondContact O-CD1 3.41Å; R220-I224 VanDerWaalsContact O-CG1 3.26Å; R220-I224 WeakPolarHBondContact O-CG1 3.34Å; R220-I224 PolarHBondContact O-N 2.88Å; R221-I224 PolarHBondContact O-N 3.01Å; F222-I224 VanDerWaalsContact C-N 3.34Å; F222-I224 PolarHBondContact O-N 3.48Å; I224-K226 PolarHBondContact O-N 3.06Å; I224-K227 PolarHBondContact O-N 2.97Å; I224-L228 WeakPolarHBondContact O-CB 3.46Å; I224-L228 PolarHBondContact O-N 2.71Å
225	K	86.1	Confident	87.3	Confident	137 Å²	137	102.2 Å²	102.2	60%	0.596	47%	0.472	S	S	*	.	H	α-helix	trans	-59.7	-44.7	175.6	-167.9	-175.8	179.3	-169.8	0	111.9	R221 F222 E223 L228 K229	R221-K225 WeakPolarHBondContact O-CB 3.34Å; R221-K225 PolarHBondContact O-N 3.41Å; F222-K225 CarbonylContact O-C 3.55Å; F222-K225 WeakPolarHBondContact O-CB 3.35Å; F222-K225 PolarHBondContact O-N 2.9Å; F222-K225 VanDerWaalsContact O-N 3.14Å; E223-K225 VanDerWaalsContact C-N 3.32Å; E223-K225 PolarHBondContact O-N 3.44Å; K225-L228 PolarHBondContact O-N 3.18Å; K225-K229 VanDerWaalsContact O-CB 3.28Å; K225-K229 WeakPolarHBondContact O-CB 3.41Å; K225-K229 PolarHBondContact O-N 3.15Å
226	K	89.8	Confident	87	Confident	81 Å²	81	107.3 Å²	107.3	35%	0.352	50%	0.496	S	S	.	.	H	α-helix	trans	-66	-41	178.3	-161.9	160.6	-171.2	161.8	0	111.5	E174 E176 F222 E223 I224 T230	E174-K226 WeakPolarHBondContact O-CE 3.47Å; E174-K226 PolarHBondContact O-NZ 3.45Å; E176-K226 PolarHBondContact O-NZ 3.48Å; F222-K226 HydrophobicContact CE1-CD 4.13Å; F222-K226 HydrophobicContact CZ-CD 4.48Å; F222-K226 PolarHBondContact O-N 2.94Å; E223-K226 PolarHBondContact O-N 3.27Å; I224-K226 PolarHBondContact O-N 3.06Å; K226-T230 WeakPolarHBondContact O-CB 3.4Å; K226-T230 WeakPolarHBondContact O-CG2 3.39Å; K226-T230 PolarHBondContact O-N 3.25Å; K226-T230 PolarHBondContact O-OG1 3.44Å
227	K	87.8	Confident	86.8	Confident	126 Å²	126	109.4 Å²	109.4	55%	0.548	50%	0.504	S	S	.	.	H	α-helix	trans	-64	-38.8	173.3	-71.5	161.1	178.6	165	0	112.1	E223 I224 T230 A231	E223-K227 WeakPolarHBondContact O-CB 3.45Å; E223-K227 WeakPolarHBondContact O-CD 3.16Å; E223-K227 VanDerWaalsContact O-CG 3.24Å; E223-K227 WeakPolarHBondContact O-CG 3.28Å; E223-K227 PolarHBondContact O-N 3.43Å; E223-K227 IonicContact OE2-NZ 3.54Å; E223-K227 PolarHBondContact OE2-NZ 2.88Å; I224-K227 PolarHBondContact O-N 2.97Å; K227-T230 WeakPolarHBondContact CA-OG1 3.21Å; K227-T230 PolarHBondContact O-OG1 2.62Å; K227-A231 WeakPolarHBondContact O-CB 3.47Å; K227-A231 PolarHBondContact O-N 2.63Å
228	L	86.1	Confident	86.4	Confident	90 Å²	90	110.3 Å²	110.3	47%	0.471	50%	0.502	S	S	.	.	H	α-helix	trans	-76.3	-38.5	178.6	-140.6	163.7	0	0	0	112.5	I224 K225 A231 K232	I224-L228 WeakPolarHBondContact O-CB 3.46Å; I224-L228 PolarHBondContact O-N 2.71Å; K225-L228 PolarHBondContact O-N 3.18Å; L228-A231 PolarHBondContact O-N 3.12Å; L228-K232 HydrophobicContact CD2-CD 4.05Å; L228-K232 HydrophobicContact CD2-CG 4.23Å; L228-K232 PolarHBondContact O-N 3.41Å
229	K	85.5	Confident	86.1	Confident	105 Å²	105	112.7 Å²	112.7	46%	0.457	51%	0.509	S	S	.	.	H	α-helix	trans	-60.3	-45.7	173.2	-166	-176.8	-172.3	-169.6	0	110.7	E176 K225 K233	E176-K229 IonicContact OE1-NZ 3.63Å; E176-K229 PolarHBondContact OE1-NZ 3.22Å; E176-K229 IonicContact OE2-NZ 2.62Å; E176-K229 PolarHBondContact OE2-NZ 3.46Å; E176-K229 VanDerWaalsContact OE2-NZ 3.08Å; K225-K229 VanDerWaalsContact O-CB 3.28Å; K225-K229 WeakPolarHBondContact O-CB 3.41Å; K225-K229 PolarHBondContact O-N 3.15Å; K229-K233 PolarHBondContact O-N 3.16Å
230	T	83.7	Confident	85.8	Confident	67 Å²	67	113.6 Å²	113.6	41%	0.411	51%	0.513	S	S	.	.	H	α-helix	trans	-70.6	-37.3	177.2	50.9	0	0	0	0	113.2	K226 K227 K233 K234	K226-T230 WeakPolarHBondContact O-CB 3.4Å; K226-T230 WeakPolarHBondContact O-CG2 3.39Å; K226-T230 PolarHBondContact O-N 3.25Å; K226-T230 PolarHBondContact O-OG1 3.44Å; K227-T230 WeakPolarHBondContact CA-OG1 3.21Å; K227-T230 PolarHBondContact O-OG1 2.62Å; T230-K233 PolarHBondContact O-N 3.04Å; T230-K234 WeakPolarHBondContact O-CG 3.31Å; T230-K234 PolarHBondContact O-N 3.24Å
231	A	87.4	Confident	85.3	Confident	54 Å²	54	113.1 Å²	113.1	45%	0.446	52%	0.515	S	S	.	.	H	α-helix	trans	-59.2	-48.3	172	0	0	0	0	0	111.9	K227 L228 K233 K234 E235	K227-A231 WeakPolarHBondContact O-CB 3.47Å; K227-A231 PolarHBondContact O-N 2.63Å; L228-A231 PolarHBondContact O-N 3.12Å; A231-K233 VanDerWaalsContact C-N 3.35Å; A231-K233 PolarHBondContact O-N 2.87Å; A231-K234 PolarHBondContact O-N 2.86Å; A231-E235 PolarHBondContact O-N 3.38Å
232	K	87.6	Confident	84.7	Confident	137 Å²	137	110.2 Å²	110.2	60%	0.596	51%	0.507	S	S	*	.	H	α-helix	trans	-61.8	-38.1	174.9	-74	-178	173.7	-176.5	0	112.6	L228 E235 K236	L228-K232 HydrophobicContact CD2-CD 4.05Å; L228-K232 HydrophobicContact CD2-CG 4.23Å; L228-K232 PolarHBondContact O-N 3.41Å; K232-E235 PolarHBondContact O-N 3.25Å; K232-K236 WeakPolarHBondContact O-CB 3.12Å; K232-K236 PolarHBondContact O-N 2.83Å
233	K	85.9	Confident	84	Confident	95 Å²	95	114 Å²	114	41%	0.413	53%	0.526	S	S	.	.	H	α-helix	trans	-62.8	-39.2	174.4	-166.2	171.7	-178.6	175.2	0	111.5	E174 K229 T230 A231 K237	E174-K233 IonicContact OE1-NZ 3.2Å; E174-K233 PolarHBondContact OE1-NZ 3.41Å; K229-K233 PolarHBondContact O-N 3.16Å; T230-K233 PolarHBondContact O-N 3.04Å; A231-K233 VanDerWaalsContact C-N 3.35Å; A231-K233 PolarHBondContact O-N 2.87Å; K233-K237 WeakPolarHBondContact O-CG 3.42Å; K233-K237 PolarHBondContact O-N 3.24Å
234	K	85.7	Confident	83.3	Confident	159 Å²	159	115.1 Å²	115.1	69%	0.691	53%	0.531	S	S	*	.	H	α-helix	trans	-67.5	-50.2	174	-73.1	-180	178.6	-178.2	0	112.2	T230 A231 K236 K237 E238	T230-K234 WeakPolarHBondContact O-CG 3.31Å; T230-K234 PolarHBondContact O-N 3.24Å; A231-K234 PolarHBondContact O-N 2.86Å; K234-K236 VanDerWaalsContact C-N 3.34Å; K234-K236 PolarHBondContact O-N 2.98Å; K234-K237 PolarHBondContact O-N 3.35Å; K234-K237 VanDerWaalsContact O-N 3.12Å; K234-E238 PolarHBondContact O-N 2.96Å
235	E	82.1	Confident	82.7	Confident	98 Å²	98	113.9 Å²	113.9	46%	0.458	52%	0.523	S	S	.	.	H	α-helix	trans	-59.2	-42.8	-179.4	-165.2	-157.1	145.6	0	0	112.2	A231 K232 K237 E238 K239	A231-E235 PolarHBondContact O-N 3.38Å; K232-E235 PolarHBondContact O-N 3.25Å; E235-K237 PolarHBondContact O-N 2.78Å; E235-E238 PolarHBondContact O-N 3.5Å; E235-K239 HydrophobicContact CG-CD 4.44Å; E235-K239 WeakPolarHBondContact O-CB 3.37Å; E235-K239 WeakPolarHBondContact O-CG 3.21Å; E235-K239 PolarHBondContact O-N 3.2Å; E235-K239 VanDerWaalsContact OE1-CE 3.25Å; E235-K239 WeakPolarHBondContact OE1-CE 3.4Å; E235-K239 IonicContact OE1-NZ 3.16Å; E235-K239 PolarHBondContact OE1-NZ 3.5Å
236	K	84.5	Confident	81.9	Confident	161 Å²	161	112.8 Å²	112.8	70%	0.7	52%	0.52	S	S	*	.	H	α-helix	trans	-64.9	-36.7	176.6	-165.9	176.3	-177.7	-177.1	0	112.2	K232 K234 K240	K232-K236 WeakPolarHBondContact O-CB 3.12Å; K232-K236 PolarHBondContact O-N 2.83Å; K234-K236 VanDerWaalsContact C-N 3.34Å; K234-K236 PolarHBondContact O-N 2.98Å; K236-K240 PolarHBondContact O-N 3.02Å; K236-K240 VanDerWaalsContact O-N 3.14Å
237	K	83.5	Confident	80.8	Confident	139 Å²	139	114.6 Å²	114.6	60%	0.604	53%	0.529	S	S	*	.	H	α-helix	trans	-68.8	-41.2	173.4	-77.8	-170.1	175	-168.9	0	112.2	K233 K234 E235 K240 K241	K233-K237 WeakPolarHBondContact O-CG 3.42Å; K233-K237 PolarHBondContact O-N 3.24Å; K234-K237 PolarHBondContact O-N 3.35Å; K234-K237 VanDerWaalsContact O-N 3.12Å; E235-K237 PolarHBondContact O-N 2.78Å; K237-K240 PolarHBondContact O-N 2.89Å; K237-K241 PolarHBondContact O-N 2.76Å
238	E	80.7	Confident	79.7	Confident	109 Å²	109	115.1 Å²	115.1	51%	0.509	53%	0.534	S	S	.	.	H	α-helix	trans	-66	-40	177.5	-162.2	-169.5	136.8	0	0	112	K234 E235 K241 K242	K234-E238 PolarHBondContact O-N 2.96Å; E235-E238 PolarHBondContact O-N 3.5Å; E238-K241 PolarHBondContact O-N 3.28Å; E238-K242 HydrophobicContact CG-CD 4.4Å; E238-K242 WeakPolarHBondContact O-CB 3.3Å; E238-K242 WeakPolarHBondContact O-CG 3.33Å; E238-K242 PolarHBondContact O-N 2.92Å; E238-K242 VanDerWaalsContact OE1-CE 3.3Å; E238-K242 WeakPolarHBondContact OE1-CE 3.48Å; E238-K242 IonicContact OE1-NZ 2.76Å; E238-K242 PolarHBondContact OE1-NZ 2.93Å
239	K	81.1	Confident	78.5	Confident	121 Å²	121	116.8 Å²	116.8	53%	0.526	54%	0.538	S	S	.	.	H	α-helix	trans	-61.7	-44.1	173.5	-79	174.7	168.6	173.1	0	112.4	E235 Q243	E235-K239 HydrophobicContact CG-CD 4.44Å; E235-K239 WeakPolarHBondContact O-CB 3.37Å; E235-K239 WeakPolarHBondContact O-CG 3.21Å; E235-K239 PolarHBondContact O-N 3.2Å; E235-K239 VanDerWaalsContact OE1-CE 3.25Å; E235-K239 WeakPolarHBondContact OE1-CE 3.4Å; E235-K239 IonicContact OE1-NZ 3.16Å; E235-K239 PolarHBondContact OE1-NZ 3.5Å; K239-Q243 WeakPolarHBondContact O-CG 3.49Å; K239-Q243 PolarHBondContact O-N 2.96Å
240	K	81.9	Confident	77.3	Confident	132 Å²	132	117.4 Å²	117.4	57%	0.574	54%	0.54	S	S	*	.	H	α-helix	trans	-58.5	-53.1	171.7	-90.6	-161.2	170.5	-166.5	0	111.7	K236 K237 K242 Q243 E244	K236-K240 PolarHBondContact O-N 3.02Å; K236-K240 VanDerWaalsContact O-N 3.14Å; K237-K240 PolarHBondContact O-N 2.89Å; K240-K242 VanDerWaalsContact C-N 3.29Å; K240-K242 PolarHBondContact O-N 3.36Å; K240-Q243 WeakPolarHBondContact O-CA 3.38Å; K240-Q243 WeakPolarHBondContact O-CB 3.4Å; K240-Q243 PolarHBondContact O-N 3.06Å; K240-E244 PolarHBondContact O-N 2.99Å
241	K	78.9	Confident	76	Confident	135 Å²	135	121.3 Å²	121.3	59%	0.587	55%	0.551	S	S	*	*	H	α-helix	trans	-61.4	-35.7	-175.6	-163.8	177.1	-176.9	-176.1	0	113	K237 E238 E244 E245	K237-K241 PolarHBondContact O-N 2.76Å; E238-K241 PolarHBondContact O-N 3.28Å; K241-E244 PolarHBondContact O-N 3.34Å; K241-E245 PolarHBondContact O-N 3.35Å
242	K	75.7	Confident	74.5	Confident	125 Å²	125	125.6 Å²	125.6	54%	0.543	57%	0.566	S	S	.	*	H	α-helix	trans	-65.4	-37.7	172.9	-78.9	172.8	169.9	170.6	0	112.8	E238 K240 E246	E238-K242 HydrophobicContact CG-CD 4.4Å; E238-K242 WeakPolarHBondContact O-CB 3.3Å; E238-K242 WeakPolarHBondContact O-CG 3.33Å; E238-K242 PolarHBondContact O-N 2.92Å; E238-K242 VanDerWaalsContact OE1-CE 3.3Å; E238-K242 WeakPolarHBondContact OE1-CE 3.48Å; E238-K242 IonicContact OE1-NZ 2.76Å; E238-K242 PolarHBondContact OE1-NZ 2.93Å; K240-K242 VanDerWaalsContact C-N 3.29Å; K240-K242 PolarHBondContact O-N 3.36Å; K242-E246 WeakPolarHBondContact O-CB 3.28Å; K242-E246 PolarHBondContact O-N 2.9Å; K242-E246 VanDerWaalsContact O-N 3.16Å
243	Q	74.3	Confident	72.9	Confident	125 Å²	125	124.5 Å²	124.5	58%	0.584	57%	0.571	S	S	*	*	H	α-helix	trans	-70.1	-38.2	175.5	-72.1	177.4	-24	0	0	112.3	K239 K240 E246 Q247	K239-Q243 WeakPolarHBondContact O-CG 3.49Å; K239-Q243 PolarHBondContact O-N 2.96Å; K240-Q243 WeakPolarHBondContact O-CA 3.38Å; K240-Q243 WeakPolarHBondContact O-CB 3.4Å; K240-Q243 PolarHBondContact O-N 3.06Å; Q243-E246 PolarHBondContact O-N 3.33Å; Q243-Q247 WeakPolarHBondContact O-CG 3.4Å; Q243-Q247 PolarHBondContact O-N 3.49Å; Q243-Q247 VanDerWaalsContact O-N 3.12Å
244	E	75.8	Confident	71.3	Confident	112 Å²	112	128 Å²	128	52%	0.523	59%	0.589	S	S	.	*	H	α-helix	trans	-63.9	-51.1	175.8	-71.6	162.1	168	0	0	111.1	K240 K241 E246 Q247 E248	K240-E244 PolarHBondContact O-N 2.99Å; K241-E244 PolarHBondContact O-N 3.34Å; E244-E246 VanDerWaalsContact C-N 3.28Å; E244-E246 PolarHBondContact O-N 3.43Å; E244-Q247 PolarHBondContact O-N 3.33Å; E244-E248 PolarHBondContact O-N 3.19Å
245	E	72.3	Confident	69.8	Low	84 Å²	84	127.6 Å²	127.6	39%	0.393	59%	0.593	S	S	.	*	H	α-helix	trans	-57.1	-38.5	175	-88	-167.6	-142.9	0	0	112.9	K241 Q247 K249	K241-E245 PolarHBondContact O-N 3.35Å; E245-Q247 VanDerWaalsContact C-N 3.31Å; E245-Q247 PolarHBondContact O-N 2.69Å; E245-K249 WeakPolarHBondContact O-CB 3.48Å; E245-K249 WeakPolarHBondContact O-CD 3.42Å; E245-K249 VanDerWaalsContact O-CG 3.23Å; E245-K249 WeakPolarHBondContact O-CG 3.47Å; E245-K249 PolarHBondContact O-N 2.62Å; E245-K249 VanDerWaalsContact O-N 3.07Å; E245-K249 IonicContact OE2-NZ 3.72Å; E245-K249 PolarHBondContact OE2-NZ 2.7Å
246	E	69.3	Low	68	Low	113 Å²	113	130.9 Å²	130.9	53%	0.528	61%	0.608	S	S	.	*	H	α-helix	trans	-73.4	-22.7	179.6	-147.2	-163.6	139.2	0	0	112.7	K242 Q243 E244 K250	K242-E246 WeakPolarHBondContact O-CB 3.28Å; K242-E246 PolarHBondContact O-N 2.9Å; K242-E246 VanDerWaalsContact O-N 3.16Å; Q243-E246 PolarHBondContact O-N 3.33Å; E244-E246 VanDerWaalsContact C-N 3.28Å; E244-E246 PolarHBondContact O-N 3.43Å; E246-K250 VanDerWaalsContact O-CD 3.22Å; E246-K250 WeakPolarHBondContact O-CD 3.49Å; E246-K250 WeakPolarHBondContact O-CE 3.34Å; E246-K250 VanDerWaalsContact O-CG 3.24Å; E246-K250 WeakPolarHBondContact O-CG 3.33Å; E246-K250 VanDerWaalsContact OE1-CE 3.28Å; E246-K250 WeakPolarHBondContact OE1-CE 3.47Å; E246-K250 IonicContact OE1-NZ 2.65Å; E246-K250 PolarHBondContact OE1-NZ 2.9Å
247	Q	66.6	Low	65.9	Low	119 Å²	119	130.9 Å²	130.9	56%	0.556	61%	0.61	S	S	*	*	H	α-helix	trans	-80.6	-43.3	171.7	-72.7	-170.2	32	0	0	112.2	Q243 E244 E245 K249 K250 K251	Q243-Q247 WeakPolarHBondContact O-CG 3.4Å; Q243-Q247 PolarHBondContact O-N 3.49Å; Q243-Q247 VanDerWaalsContact O-N 3.12Å; E244-Q247 PolarHBondContact O-N 3.33Å; E245-Q247 VanDerWaalsContact C-N 3.31Å; E245-Q247 PolarHBondContact O-N 2.69Å; Q247-K249 PolarHBondContact O-N 3.31Å; Q247-K250 PolarHBondContact O-N 3.2Å; Q247-K251 PolarHBondContact O-N 2.61Å
248	E	64.8	Low	63.6	Low	138 Å²	138	128.7 Å²	128.7	65%	0.645	61%	0.613	S	S	*	*	H	α-helix	trans	-60.3	-45.5	175.9	-70.8	-167.1	133	0	0	111.6	E244 K250 K251 L252	E244-E248 PolarHBondContact O-N 3.19Å; E248-K250 PolarHBondContact O-N 3.08Å; E248-K251 PolarHBondContact O-N 3.48Å; E248-K251 VanDerWaalsContact O-N 3.08Å; E248-L252 WeakPolarHBondContact O-CB 3.49Å; E248-L252 PolarHBondContact O-N 3.37Å
249	K	62.4	Low	61.7	Low	125 Å²	125	131.7 Å²	131.7	54%	0.543	63%	0.627	S	S	.	*	H	α-helix	trans	-63.5	-22.3	178.5	-71.6	165.9	-176.1	170.2	0	113.3	E245 Q247 T253	E245-K249 WeakPolarHBondContact O-CB 3.48Å; E245-K249 WeakPolarHBondContact O-CD 3.42Å; E245-K249 VanDerWaalsContact O-CG 3.23Å; E245-K249 WeakPolarHBondContact O-CG 3.47Å; E245-K249 PolarHBondContact O-N 2.62Å; E245-K249 VanDerWaalsContact O-N 3.07Å; E245-K249 IonicContact OE2-NZ 3.72Å; E245-K249 PolarHBondContact OE2-NZ 2.7Å; Q247-K249 PolarHBondContact O-N 3.31Å; K249-T253 WeakPolarHBondContact O-CG2 3.34Å; K249-T253 PolarHBondContact O-OG1 2.83Å
250	K	59.6	Low	59.5	Low	118 Å²	118	131.2 Å²	131.2	51%	0.513	63%	0.634	S	S	.	*	H	α-helix	trans	-85.9	-32.1	172.9	-72.2	169.8	-168.4	164.7	0	113.2	E246 Q247 E248 T253	E246-K250 VanDerWaalsContact O-CD 3.22Å; E246-K250 WeakPolarHBondContact O-CD 3.49Å; E246-K250 WeakPolarHBondContact O-CE 3.34Å; E246-K250 VanDerWaalsContact O-CG 3.24Å; E246-K250 WeakPolarHBondContact O-CG 3.33Å; E246-K250 VanDerWaalsContact OE1-CE 3.28Å; E246-K250 WeakPolarHBondContact OE1-CE 3.47Å; E246-K250 IonicContact OE1-NZ 2.65Å; E246-K250 PolarHBondContact OE1-NZ 2.9Å; Q247-K250 PolarHBondContact O-N 3.2Å; E248-K250 PolarHBondContact O-N 3.08Å; K250-T253 PolarHBondContact O-OG1 3.33Å
251	K	56.1	Low	57.5	Low	148 Å²	148	131.4 Å²	131.4	64%	0.643	65%	0.646	S	S	*	*	H	α-helix	trans	-73.7	-40.8	175	-72.2	178.8	178	177	0	112.1	Q247 E248 T253	Q247-K251 PolarHBondContact O-N 2.61Å; E248-K251 PolarHBondContact O-N 3.48Å; E248-K251 VanDerWaalsContact O-N 3.08Å; K251-T253 VanDerWaalsContact C-N 3.27Å; K251-T253 PolarHBondContact O-N 3.47Å
252	L	55.7	Low	55.9	Low	145 Å²	145	129.7 Å²	129.7	76%	0.759	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-18.5	-177.1	-158.5	69.2	0	0	0	113.6	E248	E248-L252 WeakPolarHBondContact O-CB 3.49Å; E248-L252 PolarHBondContact O-N 3.37Å
253	T	54.3	Low	54.5	Low	114 Å²	114	130.4 Å²	130.4	70%	0.699	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	4.8	-177.6	42.7	0	0	0	0	114.7	K249 K250 K251	K249-T253 WeakPolarHBondContact O-CG2 3.34Å; K249-T253 PolarHBondContact O-OG1 2.83Å; K250-T253 PolarHBondContact O-OG1 3.33Å; K251-T253 VanDerWaalsContact C-N 3.27Å; K251-T253 PolarHBondContact O-N 3.47Å
254	Q	51.7	Low	53.5	Low	169 Å²	169	131.5 Å²	131.5	79%	0.79	67%	0.666	S	S	*	*	S	Bend	trans	-107.3	1.4	-175	-157.8	171.7	1.7	0	0	114.4
255	I	53.7	Low	52.5	Low	149 Å²	149	134.9 Å²	134.9	76%	0.764	68%	0.679	S	S	*	*	S	Bend	trans	-112.9	-16.9	-168.3	-67.6	174.2	0	0	0	113.8
256	Q	46	Very low	51.5	Low	167 Å²	167	135 Å²	135	78%	0.78	68%	0.68	S	S	*	*	S	Bend	trans	-100.1	116	178.5	-76.3	-177	-42.6	0	0	112.6
257	E	40.5	Very low	50.7	Low	161 Å²	161	139.5 Å²	139.5	75%	0.752	69%	0.692	S	S	*	*			trans	28.2	116.9	136.9	-64.7	167.3	120.1	0	0	117.1
258	S	35.1	Very low	50	Low	93 Å²	93	143 Å²	143	65%	0.65	70%	0.7	S	S	*	*				61.6	128.4	55.6	108.8	0	0	0	0	113.8
259	Q	39	Very low	49.6	Very low	172 Å²	172	139.5 Å²	139.5	80%	0.804	69%	0.691	S	S	*	*			trans	79.1	152.2	178.4	-48	-166.7	20.9	0	0	118.8
260	V	36.6	Very low	49.4	Very low	112 Å²	112	139.6 Å²	139.6	68%	0.679	69%	0.691	S	S	*	*			trans	50.9	86.9	156.9	-65.8	0	0	0	0	122.3
261	T	38.4	Very low	49.1	Very low	136 Å²	136	142.6 Å²	142.6	83%	0.834	70%	0.699	S	S	*	*				46	76.7	119	59.1	0	0	0	0	120.2
262	S	46.2	Very low	49	Very low	99 Å²	99	139 Å²	139	69%	0.692	69%	0.687	S	S	*	*			trans	-157.5	-10.3	157.5	-143.7	0	0	0	0	118.4	N264	S262-N264 VanDerWaalsContact C-N 3.27Å; S262-N264 PolarHBondContact O-N 3.24Å
263	H	46	Very low	49.2	Very low	140 Å²	140	136.1 Å²	136.1	65%	0.648	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-0	-156.5	-67.4	-55	0	0	0	120.1
264	N	53.8	Low	49.5	Very low	147 Å²	147	138.6 Å²	138.6	79%	0.786	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-20.8	-177.1	-146.2	2.1	0	0	0	113.9	S262	S262-N264 VanDerWaalsContact C-N 3.27Å; S262-N264 PolarHBondContact O-N 3.24Å
265	K	55	Low	49.9	Very low	183 Å²	183	135.8 Å²	135.8	80%	0.796	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-36.1	-179.8	-160.8	164.3	-175.5	175.4	0	113.1	R267 R268 S269	K265-R267 PolarHBondContact O-N 2.96Å; K265-R268 PolarHBondContact O-N 3.47Å; K265-S269 PolarHBondContact O-N 3.48Å
266	E	51.3	Low	50.5	Low	88 Å²	88	132.8 Å²	132.8	41%	0.411	65%	0.646	S	S	.	*	H	α-helix	trans	-70.1	-31.8	-176.2	-157.7	-164.7	147.6	0	0	113.5	R268 S269 K270	E266-R268 VanDerWaalsContact C-N 3.3Å; E266-R268 PolarHBondContact O-N 3.14Å; E266-S269 PolarHBondContact O-N 3.48Å; E266-K270 PolarHBondContact O-N 3.26Å; E266-K270 WeakPolarHBondContact OE1-CE 3.33Å; E266-K270 IonicContact OE1-NZ 3.56Å; E266-K270 PolarHBondContact OE1-NZ 2.84Å
267	R	51.9	Low	51.6	Low	206 Å²	206	130.8 Å²	130.8	78%	0.777	63%	0.634	S	S	*	*	H	α-helix	trans	-76.3	-13.3	-178.8	-59.9	-173.3	80	177.8	6.5	114	K265	K265-R267 PolarHBondContact O-N 2.96Å
268	R	52.8	Low	53.2	Low	194 Å²	194	130.6 Å²	130.6	73%	0.732	63%	0.631	S	S	*	*	H	α-helix	trans	-79.6	-56.1	162.3	-88.6	-176.3	166.4	169.8	-4.6	110.1	K265 E266 K270 R271 D272	K265-R268 PolarHBondContact O-N 3.47Å; E266-R268 VanDerWaalsContact C-N 3.3Å; E266-R268 PolarHBondContact O-N 3.14Å; R268-K270 VanDerWaalsContact C-N 3.33Å; R268-K270 PolarHBondContact O-N 3.47Å; R268-K270 VanDerWaalsContact O-N 3.14Å; R268-R271 WeakPolarHBondContact O-CA 3.45Å; R268-R271 WeakPolarHBondContact O-CB 3.45Å; R268-R271 PolarHBondContact O-N 3.32Å; R268-D272 VanDerWaalsContact O-CG 3.23Å; R268-D272 PolarHBondContact O-N 2.85Å; R268-D272 VanDerWaalsContact O-OD2 3.04Å
269	S	55.2	Low	55.1	Low	64 Å²	64	128.8 Å²	128.8	45%	0.448	62%	0.618	S	S	.	*	H	α-helix	trans	-44.1	-51.2	177.5	168.2	0	0	0	0	113.6	K265 E266 R271 D272 E273	K265-S269 PolarHBondContact O-N 3.48Å; E266-S269 PolarHBondContact O-N 3.48Å; S269-R271 PolarHBondContact O-N 3.02Å; S269-D272 PolarHBondContact O-N 3.26Å; S269-E273 WeakPolarHBondContact O-CB 3.46Å; S269-E273 PolarHBondContact O-N 3.03Å
270	K	58.8	Low	56.9	Low	127 Å²	127	126 Å²	126	55%	0.552	61%	0.605	S	S	*	*	H	α-helix	trans	-70.5	-7.7	179.7	-77.7	173.9	172.6	168.1	0	115.9	E266 R268	E266-K270 PolarHBondContact O-N 3.26Å; E266-K270 WeakPolarHBondContact OE1-CE 3.33Å; E266-K270 IonicContact OE1-NZ 3.56Å; E266-K270 PolarHBondContact OE1-NZ 2.84Å; R268-K270 VanDerWaalsContact C-N 3.33Å; R268-K270 PolarHBondContact O-N 3.47Å; R268-K270 VanDerWaalsContact O-N 3.14Å
271	R	52.9	Low	58.8	Low	181 Å²	181	123.1 Å²	123.1	68%	0.683	59%	0.593	S	S	*	*	H	α-helix	trans	-94	-45.6	167.5	169.8	173.9	-79.1	148.3	-6.4	110.5	R268 S269 K274 L275	R268-R271 WeakPolarHBondContact O-CA 3.45Å; R268-R271 WeakPolarHBondContact O-CB 3.45Å; R268-R271 PolarHBondContact O-N 3.32Å; S269-R271 PolarHBondContact O-N 3.02Å; R271-K274 PolarHBondContact O-N 3.02Å; R271-K274 VanDerWaalsContact O-N 3.13Å; R271-L275 PolarHBondContact O-N 3.03Å
272	D	55.5	Low	60.5	Low	72 Å²	72	122.7 Å²	122.7	39%	0.385	58%	0.584	S	S	.	*	H	α-helix	trans	-64.5	-43.7	-177.8	-52.9	-32.7	0	0	0	110	R268 S269 K274 L275 D276	R268-D272 VanDerWaalsContact O-CG 3.23Å; R268-D272 PolarHBondContact O-N 2.85Å; R268-D272 VanDerWaalsContact O-OD2 3.04Å; S269-D272 PolarHBondContact O-N 3.26Å; D272-K274 PolarHBondContact O-N 3.37Å; D272-K274 VanDerWaalsContact O-N 3.09Å; D272-L275 CarbonylContact O-C 3.58Å; D272-L275 WeakPolarHBondContact O-CA 3.34Å; D272-L275 PolarHBondContact O-N 3.29Å; D272-D276 PolarHBondContact O-N 3.42Å
273	E	59.3	Low	62.1	Low	85 Å²	85	124.4 Å²	124.4	40%	0.397	58%	0.581	S	S	.	*	H	α-helix	trans	-56.5	-28.1	173.3	-167	-157.5	151.9	0	0	113.5	S269 K277	S269-E273 WeakPolarHBondContact O-CB 3.46Å; S269-E273 PolarHBondContact O-N 3.03Å; E273-K277 HydrophobicContact CG-CD 4.44Å; E273-K277 WeakPolarHBondContact O-CB 3.35Å; E273-K277 WeakPolarHBondContact O-CD 3.23Å; E273-K277 VanDerWaalsContact O-CG 3.28Å; E273-K277 WeakPolarHBondContact O-CG 3.47Å; E273-K277 PolarHBondContact O-N 3.29Å; E273-K277 VanDerWaalsContact O-N 3.12Å; E273-K277 IonicContact OE1-NZ 2.66Å; E273-K277 PolarHBondContact OE1-NZ 3.42Å
274	K	61.1	Low	63.7	Low	166 Å²	166	124.4 Å²	124.4	72%	0.722	58%	0.581	S	S	*	*	H	α-helix	trans	-85.3	-17	175.6	-91.9	-169.7	173.5	-175.3	0	113.8	R271 D272	R271-K274 PolarHBondContact O-N 3.02Å; R271-K274 VanDerWaalsContact O-N 3.13Å; D272-K274 PolarHBondContact O-N 3.37Å; D272-K274 VanDerWaalsContact O-N 3.09Å
275	L	60	Low	64.8	Low	110 Å²	110	122 Å²	122	58%	0.576	57%	0.568	S	S	*	*	H	α-helix	trans	-86.7	-41.7	169.5	-64.9	174.4	0	0	0	109.8	R271 D272 K277 K278 S279	R271-L275 PolarHBondContact O-N 3.03Å; D272-L275 CarbonylContact O-C 3.58Å; D272-L275 WeakPolarHBondContact O-CA 3.34Å; D272-L275 PolarHBondContact O-N 3.29Å; L275-K277 PolarHBondContact O-N 3.48Å; L275-K278 CarbonylContact O-C 3.55Å; L275-K278 WeakPolarHBondContact O-CA 3.36Å; L275-K278 PolarHBondContact O-N 3.32Å; L275-S279 PolarHBondContact O-N 3.38Å
276	D	65.2	Low	66.2	Low	85 Å²	85	120.6 Å²	120.6	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-58.3	-44.4	173.3	-73.9	-23.2	0	0	0	112.1	D272 K278 S279 Q280	D272-D276 PolarHBondContact O-N 3.42Å; D276-K278 PolarHBondContact O-N 2.9Å; D276-S279 WeakPolarHBondContact CA-OG 3.42Å; D276-S279 PolarHBondContact O-N 3.48Å; D276-S279 PolarHBondContact O-OG 3.12Å; D276-Q280 VanDerWaalsContact O-CB 3.25Å; D276-Q280 WeakPolarHBondContact O-CB 3.35Å; D276-Q280 VanDerWaalsContact O-CG 3.26Å; D276-Q280 WeakPolarHBondContact O-CG 3.08Å; D276-Q280 PolarHBondContact O-N 3.14Å
277	K	70.3	Confident	67.6	Low	125 Å²	125	118.4 Å²	118.4	54%	0.543	56%	0.559	S	S	.	*	H	α-helix	trans	-64.1	-11.5	174.4	-76.9	170.5	177.2	172.6	0	114.3	E273 L275	E273-K277 HydrophobicContact CG-CD 4.44Å; E273-K277 WeakPolarHBondContact O-CB 3.35Å; E273-K277 WeakPolarHBondContact O-CD 3.23Å; E273-K277 VanDerWaalsContact O-CG 3.28Å; E273-K277 WeakPolarHBondContact O-CG 3.47Å; E273-K277 PolarHBondContact O-N 3.29Å; E273-K277 VanDerWaalsContact O-N 3.12Å; E273-K277 IonicContact OE1-NZ 2.66Å; E273-K277 PolarHBondContact OE1-NZ 3.42Å; L275-K277 PolarHBondContact O-N 3.48Å
278	K	73.2	Confident	68.9	Low	157 Å²	157	113.2 Å²	113.2	68%	0.683	54%	0.543	S	S	*	.	H	α-helix	trans	-103.9	-29	173.2	-165.8	176	179.8	-174.7	0	113	L275 D276 M282	L275-K278 CarbonylContact O-C 3.55Å; L275-K278 WeakPolarHBondContact O-CA 3.36Å; L275-K278 PolarHBondContact O-N 3.32Å; D276-K278 PolarHBondContact O-N 2.9Å; K278-M282 WeakPolarHBondContact O-CG 3.49Å; K278-M282 PolarHBondContact O-N 2.98Å
279	S	74.9	Confident	70.2	Confident	55 Å²	55	112.6 Å²	112.6	39%	0.385	54%	0.541	S	S	.	.	H	α-helix	trans	-70	-47.9	168.8	59.4	0	0	0	0	110.4	L275 D276 A281 M282 E283	L275-S279 PolarHBondContact O-N 3.38Å; D276-S279 WeakPolarHBondContact CA-OG 3.42Å; D276-S279 PolarHBondContact O-N 3.48Å; D276-S279 PolarHBondContact O-OG 3.12Å; S279-A281 PolarHBondContact O-N 2.97Å; S279-M282 CarbonylContact O-C 3.6Å; S279-M282 WeakPolarHBondContact O-CA 3.34Å; S279-M282 WeakPolarHBondContact O-CB 3.5Å; S279-M282 PolarHBondContact O-N 2.97Å; S279-E283 WeakPolarHBondContact O-CB 3.4Å; S279-E283 PolarHBondContact O-N 3.27Å
280	Q	77.3	Confident	71.4	Confident	113 Å²	113	115.2 Å²	115.2	53%	0.528	55%	0.546	S	S	.	.	H	α-helix	trans	-55.2	-47.5	175.6	-71	173.9	1.2	0	0	111.5	D276 M282 E283 E284	D276-Q280 VanDerWaalsContact O-CB 3.25Å; D276-Q280 WeakPolarHBondContact O-CB 3.35Å; D276-Q280 VanDerWaalsContact O-CG 3.26Å; D276-Q280 WeakPolarHBondContact O-CG 3.08Å; D276-Q280 PolarHBondContact O-N 3.14Å; Q280-M282 VanDerWaalsContact C-N 3.27Å; Q280-M282 PolarHBondContact O-N 3.22Å; Q280-E283 PolarHBondContact O-N 2.98Å; Q280-E284 WeakPolarHBondContact O-CB 3.44Å; Q280-E284 PolarHBondContact O-N 3.38Å
281	A	76.7	Confident	72.4	Confident	52 Å²	52	115 Å²	115	43%	0.43	55%	0.545	S	S	.	.	H	α-helix	trans	-64.5	-27.1	177.2	0	0	0	0	0	114	S279 L285	S279-A281 PolarHBondContact O-N 2.97Å; A281-L285 VanDerWaalsContact O-CB 3.31Å; A281-L285 WeakPolarHBondContact O-CB 3.31Å; A281-L285 PolarHBondContact O-N 3.26Å
282	M	73.7	Confident	73.6	Confident	127 Å²	127	113.6 Å²	113.6	63%	0.626	54%	0.54	S	S	*	.	H	α-helix	trans	-81.8	-35.7	173.8	-82.1	-73.1	-66.1	0	0	112.5	K278 S279 Q280 K286	K278-M282 WeakPolarHBondContact O-CG 3.49Å; K278-M282 PolarHBondContact O-N 2.98Å; S279-M282 CarbonylContact O-C 3.6Å; S279-M282 WeakPolarHBondContact O-CA 3.34Å; S279-M282 WeakPolarHBondContact O-CB 3.5Å; S279-M282 PolarHBondContact O-N 2.97Å; Q280-M282 VanDerWaalsContact C-N 3.27Å; Q280-M282 PolarHBondContact O-N 3.22Å; M282-K286 VanDerWaalsContact O-CB 3.28Å; M282-K286 WeakPolarHBondContact O-CB 3.45Å; M282-K286 PolarHBondContact O-N 3.03Å
283	E	79	Confident	74.7	Confident	135 Å²	135	117.6 Å²	117.6	63%	0.631	55%	0.554	S	S	*	*	H	α-helix	trans	-74.7	-40	179.2	-173.1	159.1	-144.4	0	0	111.3	S279 Q280 K286 A287	S279-E283 WeakPolarHBondContact O-CB 3.4Å; S279-E283 PolarHBondContact O-N 3.27Å; Q280-E283 PolarHBondContact O-N 2.98Å; E283-K286 PolarHBondContact O-N 3.47Å; E283-A287 VanDerWaalsContact O-CB 3.28Å; E283-A287 WeakPolarHBondContact O-CB 3.44Å; E283-A287 PolarHBondContact O-N 3.47Å
284	E	79.6	Confident	75.6	Confident	141 Å²	141	118.2 Å²	118.2	66%	0.659	56%	0.56	S	S	*	*	H	α-helix	trans	-60.4	-47.9	170.1	-175.4	170.2	-142.2	0	0	111.1	Q280 K286 A287 E288	Q280-E284 WeakPolarHBondContact O-CB 3.44Å; Q280-E284 PolarHBondContact O-N 3.38Å; E284-K286 VanDerWaalsContact C-N 3.28Å; E284-K286 PolarHBondContact O-N 3.43Å; E284-A287 PolarHBondContact O-N 3.07Å; E284-E288 WeakPolarHBondContact O-CB 3.41Å; E284-E288 PolarHBondContact O-N 3.06Å
285	L	78.2	Confident	76.3	Confident	97 Å²	97	119 Å²	119	51%	0.508	56%	0.558	S	S	.	*	H	α-helix	trans	-63.5	-33.3	175.7	-169	153.4	0	0	0	112.4	A281 R289	A281-L285 VanDerWaalsContact O-CB 3.31Å; A281-L285 WeakPolarHBondContact O-CB 3.31Å; A281-L285 PolarHBondContact O-N 3.26Å; L285-R289 WeakPolarHBondContact O-CB 3.5Å; L285-R289 PolarHBondContact O-N 2.92Å; L285-R289 VanDerWaalsContact O-N 3.07Å
286	K	82.7	Confident	76.9	Confident	152 Å²	152	117.5 Å²	117.5	66%	0.661	55%	0.554	S	S	*	*	H	α-helix	trans	-71.9	-44.7	175.4	-164.8	-178.8	-177.9	-167.6	0	111.5	M282 E283 E284 E288 R289 E290	M282-K286 VanDerWaalsContact O-CB 3.28Å; M282-K286 WeakPolarHBondContact O-CB 3.45Å; M282-K286 PolarHBondContact O-N 3.03Å; E283-K286 PolarHBondContact O-N 3.47Å; E284-K286 VanDerWaalsContact C-N 3.28Å; E284-K286 PolarHBondContact O-N 3.43Å; K286-E288 VanDerWaalsContact C-N 3.34Å; K286-R289 WeakPolarHBondContact O-CB 3.3Å; K286-R289 PolarHBondContact O-N 3.34Å; K286-E290 WeakPolarHBondContact O-CB 3.38Å; K286-E290 PolarHBondContact O-N 3.12Å
287	A	81.4	Confident	77.4	Confident	43 Å²	43	116 Å²	116	36%	0.355	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-35.4	175.7	0	0	0	0	0	112.1	E283 E284 E290 K291	E283-A287 VanDerWaalsContact O-CB 3.28Å; E283-A287 WeakPolarHBondContact O-CB 3.44Å; E283-A287 PolarHBondContact O-N 3.47Å; E284-A287 PolarHBondContact O-N 3.07Å; A287-E290 PolarHBondContact O-N 3.18Å; A287-K291 WeakPolarHBondContact O-CB 3.48Å; A287-K291 WeakPolarHBondContact O-CG 3.38Å; A287-K291 PolarHBondContact O-N 3.02Å
288	E	80.4	Confident	77.6	Confident	96 Å²	96	114.8 Å²	114.8	45%	0.449	55%	0.549	S	S	.	.	H	α-helix	trans	-73.7	-35.3	176.1	-156.9	56.5	-135	0	0	111.5	E284 K286 E290 K291 R292	E284-E288 WeakPolarHBondContact O-CB 3.41Å; E284-E288 PolarHBondContact O-N 3.06Å; K286-E288 VanDerWaalsContact C-N 3.34Å; E288-E290 VanDerWaalsContact C-N 3.32Å; E288-E290 PolarHBondContact O-N 3.5Å; E288-K291 WeakPolarHBondContact OE2-CD 3.27Å; E288-K291 IonicContact OE2-NZ 2.64Å; E288-K291 PolarHBondContact OE2-NZ 2.87Å; E288-R292 VanDerWaalsContact O-CB 3.27Å; E288-R292 WeakPolarHBondContact O-CB 3.25Å; E288-R292 PolarHBondContact O-N 2.91Å
289	R	80	Confident	77.4	Confident	182 Å²	182	112.6 Å²	112.6	69%	0.687	54%	0.544	S	S	*	.	H	α-helix	trans	-62.2	-38.1	166.6	-88.2	-178	164.2	173.3	-4	112.6	L285 K286 R292 K293	L285-R289 WeakPolarHBondContact O-CB 3.5Å; L285-R289 PolarHBondContact O-N 2.92Å; L285-R289 VanDerWaalsContact O-N 3.07Å; K286-R289 WeakPolarHBondContact O-CB 3.3Å; K286-R289 PolarHBondContact O-N 3.34Å; R289-R292 PolarHBondContact O-N 2.93Å; R289-K293 PolarHBondContact O-N 2.94Å
290	E	78.6	Confident	77.1	Confident	119 Å²	119	116 Å²	116	56%	0.556	56%	0.558	S	S	*	*	H	α-helix	trans	-73.3	-41.8	178.9	-168.5	152.8	-137.9	0	0	112	K286 A287 E288 R292 K293 N294	K286-E290 WeakPolarHBondContact O-CB 3.38Å; K286-E290 PolarHBondContact O-N 3.12Å; A287-E290 PolarHBondContact O-N 3.18Å; E288-E290 VanDerWaalsContact C-N 3.32Å; E288-E290 PolarHBondContact O-N 3.5Å; E290-R292 PolarHBondContact O-N 2.99Å; E290-K293 PolarHBondContact O-N 3.4Å; E290-N294 WeakPolarHBondContact O-CB 3.26Å; E290-N294 VanDerWaalsContact O-CG 3.31Å; E290-N294 PolarHBondContact O-N 3.08Å
291	K	81.5	Confident	76.6	Confident	122 Å²	122	113.4 Å²	113.4	53%	0.53	56%	0.556	S	S	.	*	H	α-helix	trans	-57.8	-44.9	166.4	-76.6	177	-166.9	161	0	111.9	A287 E288 K293 N294 R295	A287-K291 WeakPolarHBondContact O-CB 3.48Å; A287-K291 WeakPolarHBondContact O-CG 3.38Å; A287-K291 PolarHBondContact O-N 3.02Å; E288-K291 WeakPolarHBondContact OE2-CD 3.27Å; E288-K291 IonicContact OE2-NZ 2.64Å; E288-K291 PolarHBondContact OE2-NZ 2.87Å; K291-K293 PolarHBondContact O-N 3.34Å; K291-N294 PolarHBondContact O-N 3.17Å; K291-R295 WeakPolarHBondContact O-CB 3.46Å; K291-R295 PolarHBondContact O-N 2.95Å
292	R	77.1	Confident	76	Confident	152 Å²	152	118.1 Å²	118.1	57%	0.574	57%	0.566	S	S	*	*	H	α-helix	trans	-63.2	-42.3	179.3	-166.8	167.9	178.6	173.8	-2.8	110.6	E288 R289 E290 T296	E288-R292 VanDerWaalsContact O-CB 3.27Å; E288-R292 WeakPolarHBondContact O-CB 3.25Å; E288-R292 PolarHBondContact O-N 2.91Å; R289-R292 PolarHBondContact O-N 2.93Å; E290-R292 PolarHBondContact O-N 2.99Å; R292-T296 WeakPolarHBondContact O-CG2 3.48Å; R292-T296 PolarHBondContact O-N 3.16Å; R292-T296 PolarHBondContact O-OG1 2.74Å; R292-T296 VanDerWaalsContact O-OG1 3.13Å
293	K	78.7	Confident	75.2	Confident	155 Å²	155	120.1 Å²	120.1	67%	0.674	57%	0.572	S	S	*	*	H	α-helix	trans	-58.9	-54.7	169.8	-93.8	-171.6	168.9	-171.1	0	112.2	R289 E290 K291 R295 T296 A297	R289-K293 PolarHBondContact O-N 2.94Å; E290-K293 PolarHBondContact O-N 3.4Å; K291-K293 PolarHBondContact O-N 3.34Å; K293-R295 VanDerWaalsContact C-N 3.32Å; K293-R295 PolarHBondContact O-N 2.79Å; K293-T296 WeakPolarHBondContact CA-OG1 3.32Å; K293-T296 PolarHBondContact O-N 2.86Å; K293-T296 VanDerWaalsContact O-N 3.11Å; K293-T296 PolarHBondContact O-OG1 3.47Å; K293-A297 WeakPolarHBondContact O-CB 3.43Å; K293-A297 PolarHBondContact O-N 3.05Å
294	N	77.1	Confident	73.9	Confident	99 Å²	99	120.1 Å²	120.1	53%	0.529	57%	0.572	S	S	.	*	H	α-helix	trans	-63.9	-37.2	-176.4	-71.2	-0.8	0	0	0	111.6	E290 K291 A297 E298	E290-N294 WeakPolarHBondContact O-CB 3.26Å; E290-N294 VanDerWaalsContact O-CG 3.31Å; E290-N294 PolarHBondContact O-N 3.08Å; K291-N294 PolarHBondContact O-N 3.17Å; N294-A297 PolarHBondContact O-N 2.92Å; N294-E298 VanDerWaalsContact O-CB 3.23Å; N294-E298 WeakPolarHBondContact O-CB 3.38Å; N294-E298 PolarHBondContact O-N 3.45Å
295	R	75.8	Confident	72.3	Confident	183 Å²	183	119 Å²	119	69%	0.691	58%	0.576	S	S	*	*	H	α-helix	trans	-67	-36.7	173.9	-164.2	175.2	-171.2	-178.9	2.7	112.1	K291 K293 L299	K291-R295 WeakPolarHBondContact O-CB 3.46Å; K291-R295 PolarHBondContact O-N 2.95Å; K293-R295 VanDerWaalsContact C-N 3.32Å; K293-R295 PolarHBondContact O-N 2.79Å; R295-L299 WeakPolarHBondContact O-CB 3.45Å; R295-L299 WeakPolarHBondContact O-CD1 3.39Å; R295-L299 VanDerWaalsContact O-CG 3.22Å; R295-L299 WeakPolarHBondContact O-CG 3.27Å; R295-L299 PolarHBondContact O-N 3.25Å
296	T	72.9	Confident	70.8	Confident	78 Å²	78	121 Å²	121	48%	0.479	59%	0.587	S	S	.	*	H	α-helix	trans	-69.4	-38.1	170.6	52.3	0	0	0	0	112.8	R292 K293 L299 L300	R292-T296 WeakPolarHBondContact O-CG2 3.48Å; R292-T296 PolarHBondContact O-N 3.16Å; R292-T296 PolarHBondContact O-OG1 2.74Å; R292-T296 VanDerWaalsContact O-OG1 3.13Å; K293-T296 WeakPolarHBondContact CA-OG1 3.32Å; K293-T296 PolarHBondContact O-N 2.86Å; K293-T296 VanDerWaalsContact O-N 3.11Å; K293-T296 PolarHBondContact O-OG1 3.47Å; T296-L299 PolarHBondContact O-N 2.72Å; T296-L300 WeakPolarHBondContact O-CB 3.16Å; T296-L300 PolarHBondContact O-N 3.46Å
297	A	76.4	Confident	68.9	Low	53 Å²	53	120.8 Å²	120.8	44%	0.438	59%	0.586	S	S	.	*	H	α-helix	trans	-68.9	-38.8	176.9	0	0	0	0	0	111.9	K293 N294 L300 A301	K293-A297 WeakPolarHBondContact O-CB 3.43Å; K293-A297 PolarHBondContact O-N 3.05Å; N294-A297 PolarHBondContact O-N 2.92Å; A297-L300 CarbonylContact O-C 3.54Å; A297-L300 PolarHBondContact O-N 2.85Å; A297-A301 VanDerWaalsContact O-CB 3.31Å; A297-A301 WeakPolarHBondContact O-CB 3.4Å; A297-A301 PolarHBondContact O-N 3.44Å
298	E	75.2	Confident	67.5	Low	100 Å²	100	125.9 Å²	125.9	47%	0.467	61%	0.613	S	S	.	*	H	α-helix	trans	-67.5	-39.6	174.5	-167.1	-163.9	150.3	0	0	111.2	N294 L300 A301 K302	N294-E298 VanDerWaalsContact O-CB 3.23Å; N294-E298 WeakPolarHBondContact O-CB 3.38Å; N294-E298 PolarHBondContact O-N 3.45Å; E298-L300 VanDerWaalsContact C-N 3.28Å; E298-L300 PolarHBondContact O-N 3.49Å; E298-A301 PolarHBondContact O-N 2.89Å; E298-K302 HydrophobicContact CG-CD 4.2Å; E298-K302 VanDerWaalsContact O-CB 3.26Å; E298-K302 WeakPolarHBondContact O-CB 3.24Å; E298-K302 WeakPolarHBondContact O-CG 3.33Å; E298-K302 PolarHBondContact O-N 3.05Å; E298-K302 VanDerWaalsContact OE1-CE 3.29Å; E298-K302 WeakPolarHBondContact OE1-CE 3.49Å; E298-K302 IonicContact OE1-NZ 2.72Å; E298-K302 PolarHBondContact OE1-NZ 3.21Å
299	L	68.4	Low	66.3	Low	110 Å²	110	125.8 Å²	125.8	58%	0.576	62%	0.623	S	S	*	*	H	α-helix	trans	-67.6	-25.9	172.3	-75.1	169.2	0	0	0	113.1	R295 T296 K303	R295-L299 WeakPolarHBondContact O-CB 3.45Å; R295-L299 WeakPolarHBondContact O-CD1 3.39Å; R295-L299 VanDerWaalsContact O-CG 3.22Å; R295-L299 WeakPolarHBondContact O-CG 3.27Å; R295-L299 PolarHBondContact O-N 3.25Å; T296-L299 PolarHBondContact O-N 2.72Å; L299-K303 WeakPolarHBondContact O-CG 3.48Å
300	L	67.8	Low	64.9	Low	128 Å²	128	124 Å²	124	67%	0.67	62%	0.622	S	S	*	*	H	α-helix	trans	-80.3	-35.5	170.5	-87.5	154.8	0	0	0	112.3	T296 A297 E298 K303	T296-L300 WeakPolarHBondContact O-CB 3.16Å; T296-L300 PolarHBondContact O-N 3.46Å; A297-L300 CarbonylContact O-C 3.54Å; A297-L300 PolarHBondContact O-N 2.85Å; E298-L300 VanDerWaalsContact C-N 3.28Å; E298-L300 PolarHBondContact O-N 3.49Å; L300-K303 CarbonylContact O-C 3.53Å; L300-K303 WeakPolarHBondContact O-CB 3.48Å; L300-K303 PolarHBondContact O-N 3.01Å
301	A	66.9	Low	63.7	Low	58 Å²	58	123.3 Å²	123.3	48%	0.479	63%	0.626	S	S	.	*	H	α-helix	trans	-78.6	-31	178.9	0	0	0	0	0	113.2	A297 E298 Q304	A297-A301 VanDerWaalsContact O-CB 3.31Å; A297-A301 WeakPolarHBondContact O-CB 3.4Å; A297-A301 PolarHBondContact O-N 3.44Å; E298-A301 PolarHBondContact O-N 2.89Å; A301-Q304 PolarHBondContact O-NE2 2.75Å
302	K	64	Low	62.3	Low	150 Å²	150	128.9 Å²	128.9	65%	0.652	65%	0.645	S	S	*	*	S	Bend	trans	-71.8	-18.9	167.9	-76.8	177.6	167.9	170	0	112.3	E298 Q304	E298-K302 HydrophobicContact CG-CD 4.2Å; E298-K302 VanDerWaalsContact O-CB 3.26Å; E298-K302 WeakPolarHBondContact O-CB 3.24Å; E298-K302 WeakPolarHBondContact O-CG 3.33Å; E298-K302 PolarHBondContact O-N 3.05Å; E298-K302 VanDerWaalsContact OE1-CE 3.29Å; E298-K302 WeakPolarHBondContact OE1-CE 3.49Å; E298-K302 IonicContact OE1-NZ 2.72Å; E298-K302 PolarHBondContact OE1-NZ 3.21Å; K302-Q304 PolarHBondContact O-N 3.17Å
303	K	57.9	Low	60.4	Low	170 Å²	170	127.2 Å²	127.2	74%	0.739	66%	0.657	S	S	*	*			trans	-79.3	61.9	159.5	-73.8	-173.5	173.9	-164.8	0	110.5	L299 L300	L299-K303 WeakPolarHBondContact O-CG 3.48Å; L300-K303 CarbonylContact O-C 3.53Å; L300-K303 WeakPolarHBondContact O-CB 3.48Å; L300-K303 PolarHBondContact O-N 3.01Å
304	Q	50.7	Low	58.6	Low	135 Å²	135	127.7 Å²	127.7	63%	0.631	67%	0.667	S	S	*	*			trans	-55.2	147.8	158.8	-70.3	-61.2	-55.2	0	0	109.3	A301 K302 L306	A301-Q304 PolarHBondContact O-NE2 2.75Å; K302-Q304 PolarHBondContact O-N 3.17Å; Q304-L306 PolarHBondContact O-N 2.94Å
305	P	46.6	Very low	57	Low	116 Å²	116	130.2 Å²	130.2	75%	0.753	68%	0.68	S	S	*	*			trans	-68.2	95.3	173.6	28.7	-33.2	0	0	0	109.2	K307	P305-K307 PolarHBondContact O-N 2.74Å
306	L	47.2	Very low	55.4	Low	141 Å²	141	129.1 Å²	129.1	74%	0.738	68%	0.683	S	S	*	*			trans	-55.4	122.8	175.8	-74	166.8	0	0	0	109.6	Q304	Q304-L306 PolarHBondContact O-N 2.94Å
307	K	43.5	Very low	54	Low	147 Å²	147	133.3 Å²	133.3	64%	0.639	70%	0.697	S	S	*	*			trans	-70.8	138.8	173.9	-64.7	171.5	-173.6	167	0	108	P305 S309	P305-K307 PolarHBondContact O-N 2.74Å; K307-S309 PolarHBondContact O-N 3.24Å
308	T	51.5	Low	52.2	Low	149 Å²	149	139.1 Å²	139.1	91%	0.914	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	39.6	-173.1	61.7	0	0	0	0	112.9
309	S	53.9	Low	50.9	Low	94 Å²	94	143.9 Å²	143.9	66%	0.657	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.6	-2.4	-173.8	55.9	0	0	0	0	113.5	K307	K307-S309 PolarHBondContact O-N 3.24Å
310	E	50.6	Low	49.4	Very low	146 Å²	146	147.3 Å²	147.3	68%	0.682	75%	0.751	S	S	*	*	S	Bend	trans	-124.7	24.9	-173.5	-64.3	169.7	141.8	0	0	111.4
311	V	55.1	Low	48.3	Very low	104 Å²	104	148.7 Å²	148.7	63%	0.63	76%	0.758	S	S	*	*	S	Bend	trans	-128.2	29	-174.3	-154.2	0	0	0	0	111.9
312	Y	51.7	Low	47	Very low	239 Å²	239	151.8 Å²	151.8	94%	0.937	77%	0.767	S	S	*	*	S	Bend	trans	-148.4	65.2	174.8	-96.2	-81.6	0	0	0	109.4
313	S	36.8	Very low	46	Very low	116 Å²	116	152.3 Å²	152.3	81%	0.811	77%	0.769	S	S	*	*			trans	-165.6	151.7	166.6	-158.8	0	0	0	0	109.4
314	D	40.3	Very low	45.1	Very low	166 Å²	166	148.7 Å²	148.7	89%	0.888	77%	0.765	S	S	*	*			trans	70.1	91.7	169.8	-116.8	29.6	0	0	0	116.7
315	D	44.6	Very low	44.5	Very low	151 Å²	151	147.2 Å²	147.2	81%	0.807	77%	0.77	S	S	*	*			trans	-154.9	151	138.2	-137.4	-1.2	0	0	0	109.9
316	E	42.3	Very low	44.2	Very low	160 Å²	160	150.9 Å²	150.9	75%	0.748	78%	0.777	S	S	*	*			trans	-47.6	159.3	-174	-68.7	157.2	179.2	0	0	116.2
317	E	43.2	Very low	43.8	Very low	166 Å²	166	153.5 Å²	153.5	78%	0.776	78%	0.783	S	S	*	*			cis	-161.2	-171.6	13.6	-129.3	167.4	-170.5	0	0	113
318	E	39.1	Very low	43.7	Very low	175 Å²	175	152 Å²	152	82%	0.818	79%	0.791	S	S	*	*			trans	-26.4	135.8	-177.9	-58.2	177.2	149.5	0	0	122.5
319	E	46	Very low	43.1	Very low	200 Å²	200	152.1 Å²	152.1	94%	0.935	79%	0.785	S	S	*	*				-170.3	167.4	108.7	-109.6	-174.8	-179.6	0	0	112.5
320	E	38.4	Very low	42.7	Very low	183 Å²	183	158.9 Å²	158.9	86%	0.855	80%	0.797	S	S	*	*			trans	-106.4	142.3	-168	-53.9	-178.1	121.5	0	0	113.8
321	D	44.5	Very low	42.2	Very low	156 Å²	156	156.9 Å²	156.9	83%	0.834	80%	0.799	S	S	*	*				177.7	103.1	129.7	-107.5	-23.9	0	0	0	115.5
322	D	39.7	Very low	41.5	Very low	124 Å²	124	156 Å²	156	66%	0.663	80%	0.797	S	S	*	*				46.8	150.8	124.3	-144	8.2	0	0	0	125.8
323	K	41.8	Very low	41.1	Very low	161 Å²	161	155.7 Å²	155.7	70%	0.7	79%	0.794	S	S	*	*			trans	66.1	109.9	165.7	-63.5	179.3	-171.3	76.2	0	119.2
324	S	39.2	Very low	41.4	Very low	93 Å²	93	156 Å²	156	65%	0.65	79%	0.791	S	S	*	*			cis	96.6	101.9	49	74.7	0	0	0	0	115.3
325	S	37.5	Very low	41.3	Very low	105 Å²	105	153.1 Å²	153.1	73%	0.734	78%	0.784	S	S	*	*			trans	30.2	137.8	133.3	61.6	0	0	0	0	122
326	E	40.5	Very low	41	Very low	193 Å²	193	151.1 Å²	151.1	90%	0.902	78%	0.782	S	S	*	*				-169.6	-176.7	103.6	-103.5	-166.6	138.2	0	0	113.8
327	K	39.9	Very low	40.7	Very low	196 Å²	196	148 Å²	148	85%	0.852	78%	0.778	S	S	*	*			trans	-114.7	161.6	-171.5	-51.6	167.5	-175.1	168.5	0	111.6
328	S	41.9	Very low	40.7	Very low	116 Å²	116	146.7 Å²	146.7	81%	0.811	78%	0.776	S	S	*	*				178.3	149.3	124.5	37.9	0	0	0	0	114.5
329	D	38.6	Very low	40.9	Very low	150 Å²	150	146.5 Å²	146.5	80%	0.802	78%	0.776	S	S	*	*			trans	-80	159.3	177.4	-46.2	-105.9	0	0	0	113.5
330	R	43.9	Very low	40.6	Very low	237 Å²	237	146.4 Å²	146.4	89%	0.894	78%	0.775	S	S	*	*			trans	-158.5	112.5	152.1	-107	147.1	-159.1	-134.2	3.4	114.9
331	S	41.8	Very low	40.8	Very low	103 Å²	103	146.9 Å²	146.9	72%	0.72	78%	0.777	S	S	*	*			trans	-8.5	154.2	139.7	56.5	0	0	0	0	119.4
332	S	40.5	Very low	40.8	Very low	86 Å²	86	149 Å²	149	60%	0.601	78%	0.782	S	S	*	*			cis	174.7	167.7	-7.6	57.6	0	0	0	0	111.3
333	R	43.5	Very low	40.8	Very low	233 Å²	233	152.1 Å²	152.1	88%	0.879	79%	0.79	S	S	*	*			trans	73.3	150.3	163.3	-59.4	166.1	172.9	168.5	-2.8	115.1
334	T	41.3	Very low	41	Very low	122 Å²	122	153.7 Å²	153.7	75%	0.748	80%	0.8	S	S	*	*			cis	-141.6	155	11.5	36.4	0	0	0	0	114.2
335	S	38.7	Very low	41.3	Very low	106 Å²	106	157.7 Å²	157.7	74%	0.741	81%	0.808	S	S	*	*			trans	-8.4	160.7	143.7	53.4	0	0	0	0	120.8
336	S	38.1	Very low	41.9	Very low	108 Å²	108	160 Å²	160	76%	0.755	81%	0.811	S	S	*	*			cis	-176.2	176.8	-3.1	172.2	0	0	0	0	109.2
337	S	37.6	Very low	42.5	Very low	96 Å²	96	155.9 Å²	155.9	67%	0.671	80%	0.8	S	S	*	*			trans	71.7	149.9	169.8	-76.3	0	0	0	0	117.1
338	D	43.2	Very low	43	Very low	137 Å²	137	152.1 Å²	152.1	73%	0.733	80%	0.796	S	S	*	*			cis	-156.3	-178.8	-24	-123.9	-44.6	0	0	0	111.4
339	E	41.9	Very low	43.5	Very low	172 Å²	172	156.7 Å²	156.7	80%	0.804	80%	0.801	S	S	*	*			trans	-39.1	139.2	175.9	-61.8	173.6	163.2	0	0	117
340	E	40.8	Very low	44.7	Very low	197 Å²	197	151 Å²	151	92%	0.921	77%	0.773	S	S	*	*				-171.7	173.3	106.3	-103.7	-174	-151.1	0	0	112.6
341	E	42.3	Very low	46.4	Very low	193 Å²	193	146.9 Å²	146.9	90%	0.902	76%	0.764	S	S	*	*			trans	-85.8	123	-172.6	-57.7	179.1	116	0	0	113.6
342	E	43.6	Very low	48.4	Very low	202 Å²	202	145.6 Å²	145.6	94%	0.944	75%	0.753	S	S	*	*			trans	-125.2	149.3	160.2	-72	-151.9	118.3	0	0	113.2
343	K	40.7	Very low	50.6	Low	188 Å²	188	141.5 Å²	141.5	82%	0.817	73%	0.725	S	S	*	*			trans	-79.3	166.3	-155.6	-66	153.4	-175.7	148.1	0	114	E345	K343-E345 VanDerWaalsContact C-N 3.29Å; K343-E345 PolarHBondContact O-N 2.65Å
344	E	45.9	Very low	52.6	Low	195 Å²	195	133.2 Å²	133.2	91%	0.911	70%	0.703	S	S	*	*			trans	-60.4	88.2	158.2	-64.1	-170.4	156.8	0	0	110.8	I346	E344-I346 PolarHBondContact O-N 2.86Å
345	E	44.5	Very low	54.9	Low	176 Å²	176	131.6 Å²	131.6	82%	0.822	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-71.8	124.2	172.9	-73.8	-114.1	116.6	0	0	110.6	K343	K343-E345 VanDerWaalsContact C-N 3.29Å; K343-E345 PolarHBondContact O-N 2.65Å
346	I	50.3	Low	57.4	Low	155 Å²	155	127.8 Å²	127.8	80%	0.795	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-64.1	127.3	177.4	-53.3	99	0	0	0	108.8	E344	E344-I346 PolarHBondContact O-N 2.86Å
347	P	53	Low	60	Low	105 Å²	105	129.3 Å²	129.3	68%	0.682	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-57.4	140.8	-178.7	22.4	-33.5	0	0	0	111.2	K349	P347-K349 PolarHBondContact O-N 3.32Å
348	P	50.5	Low	62.6	Low	117 Å²	117	125.9 Å²	125.9	76%	0.76	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-61.9	138.9	-168.9	24.5	-34.6	0	0	0	111.3	S350	P348-S350 PolarHBondContact O-N 2.77Å
349	K	52.6	Low	65	Low	212 Å²	212	119.4 Å²	119.4	92%	0.922	60%	0.595	S	S	*	*			trans	-49.7	107.4	-179	-64.1	173	-175.7	171.1	0	110.1	P347	P347-K349 PolarHBondContact O-N 3.32Å
350	S	64.4	Low	67.5	Low	31 Å²	31	112.4 Å²	112.4	22%	0.217	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-64.3	146.1	-173	26.7	0	0	0	0	111.7	P348 D470	P348-S350 PolarHBondContact O-N 2.77Å; S350-D470 VanDerWaalsContact CB-CG 3.45Å; S350-D470 WeakPolarHBondContact CB-OD2 3.3Å; S350-D470 PolarHBondContact OG-OD2 3.39Å
351	Q	79.2	Confident	70	Confident	150 Å²	150	108.2 Å²	108.2	70%	0.701	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-62.4	138	-173.6	-66.5	179.6	-7.6	0	0	110.7	L469	Q351-L469 PolarHBondContact O-N 3.15Å
352	P	83.8	Confident	72.5	Confident	76 Å²	76	99 Å²	99	49%	0.494	50%	0.497	S	S	.	.	B	Isolated β-bridge	trans	-70.9	148.2	175.6	30.2	-34.6	0	0	0	110.4	S354 L466	P352-S354 PolarHBondContact O-N 3.5Å; P352-L466 HydrophobicContact CB-CB 4.01Å; P352-L466 HydrophobicContact CB-CD1 4.45Å
353	V	86.9	Confident	75	Confident	1 Å²	1	90.7 Å²	90.7	1%	0.006	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-51	124.2	-175.4	70.5	0	0	0	0	113.1	E358 L359 F452 W455 K456 L466 P467 I472	V353-E358 HydrophobicContact CG2-CB 3.71Å; V353-E358 WeakPolarHBondContact CG2-OE2 3.26Å; V353-L359 HydrophobicContact CG1-CD1 4.45Å; V353-L359 HydrophobicContact CG2-CB 4.28Å; V353-L359 HydrophobicContact CG2-CD1 4.34Å; V353-F452 HydrophobicContact CG1-CE2 4.26Å; V353-F452 HydrophobicContact CG1-CZ 4.3Å; V353-F452 HydrophobicContact CG2-CE2 4.14Å; V353-F452 HydrophobicContact CG2-CZ 4.19Å; V353-W455 HydrophobicContact CG1-CH2 3.86Å; V353-W455 HydrophobicContact CG1-CZ3 3.9Å; V353-K456 PolarHBondContact O-NZ 3.4Å; V353-K456 VanDerWaalsContact O-NZ 3.13Å; V353-L466 HydrophobicContact CG1-CB 4.31Å; V353-P467 HydrophobicContact CB-CG 4.49Å; V353-P467 HydrophobicContact CG1-CG 3.91Å; V353-P467 PolarHBondContact N-O 3.08Å; V353-I472 HydrophobicContact CB-CD1 3.75Å; V353-I472 HydrophobicContact CG2-CD1 3.55Å
354	S	84.3	Confident	77.6	Confident	59 Å²	59	81.8 Å²	81.8	41%	0.413	42%	0.418	S	S	.	.			trans	-108.8	-40	-168.2	74.2	0	0	0	0	111.9	P352 E358 F452	P352-S354 PolarHBondContact O-N 3.5Å; S354-E358 WeakPolarHBondContact CA-OE2 3.3Å; S354-E358 PolarHBondContact N-OE2 2.95Å; S354-E358 PolarHBondContact OG-OE1 2.96Å; S354-E358 PolarHBondContact OG-OE2 3.39Å; S354-E358 VanDerWaalsContact OG-OE2 3.12Å; S354-F452 WeakPolarHBondContact O-CE1 3.46Å
355	L	90.2	Very high	80	Confident	87 Å²	87	73.4 Å²	73.4	46%	0.455	38%	0.381	S	S	.	.	S	Bend	trans	-114.8	150.1	-174.2	-65.5	171.6	0	0	0	112	E357 E358	L355-E357 PolarHBondContact O-N 2.89Å; L355-E358 HydrophobicContact CB-CG 4.17Å; L355-E358 PolarHBondContact N-OE2 3.49Å; L355-E358 PolarHBondContact O-N 3.4Å
356	P	91.8	Very high	82.4	Confident	26 Å²	26	69.2 Å²	69.2	17%	0.169	36%	0.357	C	S	.	.	H	α-helix	trans	-64	-28.1	173.6	27	-34.5	0	0	0	112.5	L359 N360 F452	P356-L359 PolarHBondContact O-N 3.27Å; P356-N360 WeakPolarHBondContact O-CB 3.42Å; P356-N360 PolarHBondContact O-N 3.01Å; P356-N360 PolarHBondContact O-ND2 2.93Å; P356-F452 HydrophobicContact CB-CB 3.95Å; P356-F452 HydrophobicContact CB-CD1 4.35Å; P356-F452 HydrophobicContact CB-CD2 4.32Å; P356-F452 HydrophobicContact CB-CG 3.97Å
357	E	92.7	Very high	84.5	Confident	141 Å²	141	65.9 Å²	65.9	66%	0.659	34%	0.338	S	S	*	.	H	α-helix	trans	-62.8	-41.1	178.6	-65	179.2	-168.2	0	0	112.9	L355 L359 N360 R361	L355-E357 PolarHBondContact O-N 2.89Å; E357-L359 VanDerWaalsContact C-N 3.34Å; E357-L359 PolarHBondContact O-N 2.83Å; E357-N360 WeakPolarHBondContact O-CB 3.41Å; E357-N360 PolarHBondContact O-N 3.15Å; E357-R361 PolarHBondContact O-N 3.05Å
358	E	92.2	Very high	86.4	Confident	24 Å²	24	63.1 Å²	63.1	11%	0.112	32%	0.316	C	S	.	.	H	α-helix	trans	-60.1	-46.3	175.8	-63.9	167	152.5	0	0	110.3	V353 S354 L355 N360 R361 L469 I472	V353-E358 HydrophobicContact CG2-CB 3.71Å; V353-E358 WeakPolarHBondContact CG2-OE2 3.26Å; S354-E358 WeakPolarHBondContact CA-OE2 3.3Å; S354-E358 PolarHBondContact N-OE2 2.95Å; S354-E358 PolarHBondContact OG-OE1 2.96Å; S354-E358 PolarHBondContact OG-OE2 3.39Å; S354-E358 VanDerWaalsContact OG-OE2 3.12Å; L355-E358 HydrophobicContact CB-CG 4.17Å; L355-E358 PolarHBondContact N-OE2 3.49Å; L355-E358 PolarHBondContact O-N 3.4Å; E358-N360 VanDerWaalsContact C-N 3.33Å; E358-N360 PolarHBondContact O-N 3.26Å; E358-R361 WeakPolarHBondContact O-CB 3.33Å; E358-R361 WeakPolarHBondContact O-CG 3.36Å; E358-R361 PolarHBondContact O-N 2.81Å; E358-L469 HydrophobicContact CB-CD1 4.32Å; E358-L469 HydrophobicContact CG-CD1 4.09Å; E358-I472 VanDerWaalsContact O-CG2 3.31Å; E358-I472 WeakPolarHBondContact O-CG2 3.38Å
359	L	93.2	Very high	88.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-71	-27	177.3	-154.3	75.5	0	0	0	112.8	V353 P356 E357 R361 V362 R363 F386 V402 F447 F452 W455 P467 I472	V353-L359 HydrophobicContact CG1-CD1 4.45Å; V353-L359 HydrophobicContact CG2-CB 4.28Å; V353-L359 HydrophobicContact CG2-CD1 4.34Å; P356-L359 PolarHBondContact O-N 3.27Å; E357-L359 VanDerWaalsContact C-N 3.34Å; E357-L359 PolarHBondContact O-N 2.83Å; L359-R361 PolarHBondContact O-N 2.89Å; L359-V362 HydrophobicContact CD1-CG2 4.31Å; L359-V362 VanDerWaalsContact O-CG2 3.31Å; L359-V362 WeakPolarHBondContact O-CG2 3.37Å; L359-V362 PolarHBondContact O-N 2.86Å; L359-R363 PolarHBondContact O-N 3.32Å; L359-F386 HydrophobicContact CD1-CD1 4.25Å; L359-F386 HydrophobicContact CD1-CD2 3.8Å; L359-F386 HydrophobicContact CD1-CE1 4.27Å; L359-F386 HydrophobicContact CD1-CE2 3.83Å; L359-F386 HydrophobicContact CD1-CG 4.02Å; L359-F386 HydrophobicContact CD1-CZ 4.07Å; L359-F386 HydrophobicContact CD2-CD1 4.06Å; L359-F386 HydrophobicContact CD2-CE1 4.48Å; L359-F386 HydrophobicContact CD2-CG 4.24Å; L359-F386 HydrophobicContact CG-CB 4.41Å; L359-F386 HydrophobicContact CG-CD1 4.37Å; L359-F386 HydrophobicContact CG-CD2 4.29Å; L359-F386 HydrophobicContact CG-CG 4.09Å; L359-V402 HydrophobicContact CD2-CG1 3.48Å; L359-V402 VanDerWaalsContact CD2-CG1 3.48Å; L359-F447 HydrophobicContact CB-CD2 4.4Å; L359-F447 HydrophobicContact CD2-CD2 4.27Å; L359-F447 HydrophobicContact CD2-CE2 4.11Å; L359-F447 HydrophobicContact CG-CD2 4.48Å; L359-F447 HydrophobicContact CG-CE2 4.18Å; L359-F452 HydrophobicContact CB-CD2 4.35Å; L359-F452 HydrophobicContact CB-CE2 4.1Å; L359-F452 HydrophobicContact CD2-CD2 3.95Å; L359-F452 HydrophobicContact CD2-CE2 4.09Å; L359-W455 HydrophobicContact CD1-CH2 4.15Å; L359-W455 HydrophobicContact CD2-CE3 4.2Å; L359-W455 HydrophobicContact CD2-CH2 4.13Å; L359-W455 HydrophobicContact CD2-CZ3 3.94Å; L359-P467 HydrophobicContact CD1-CG 4.23Å; L359-I472 HydrophobicContact CD1-CD1 4.17Å
360	N	94.1	Very high	90.4	Very high	25 Å²	25	49.3 Å²	49.3	13%	0.134	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-24.2	173.9	-85.5	-55.2	0	0	0	112.5	P356 E357 E358 V362 R363 E446 F447	P356-N360 WeakPolarHBondContact O-CB 3.42Å; P356-N360 PolarHBondContact O-N 3.01Å; P356-N360 PolarHBondContact O-ND2 2.93Å; E357-N360 WeakPolarHBondContact O-CB 3.41Å; E357-N360 PolarHBondContact O-N 3.15Å; E358-N360 VanDerWaalsContact C-N 3.33Å; E358-N360 PolarHBondContact O-N 3.26Å; N360-V362 PolarHBondContact O-N 3.39Å; N360-R363 WeakPolarHBondContact O-CB 3.1Å; N360-R363 PolarHBondContact O-N 3.48Å; N360-R363 VanDerWaalsContact O-N 3.16Å; N360-R363 VanDerWaalsContact OD1-CD 3.23Å; N360-R363 WeakPolarHBondContact OD1-CD 3.36Å; N360-R363 PolarHBondContact OD1-NE 3.32Å; N360-R363 VanDerWaalsContact OD1-NE 3.1Å; N360-E446 WeakPolarHBondContact OD1-CB 3.32Å; N360-F447 WeakPolarHBondContact OD1-CD2 3.44Å; N360-F447 PolarHBondContact OD1-N 3.48Å
361	R	93.2	Very high	91.6	Very high	109 Å²	109	55.8 Å²	55.8	41%	0.411	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-43.9	174.4	-58	-179.7	-169.3	175.7	2.2	112.3	E357 E358 L359 R363 I472 N473 E476	E357-R361 PolarHBondContact O-N 3.05Å; E358-R361 WeakPolarHBondContact O-CB 3.33Å; E358-R361 WeakPolarHBondContact O-CG 3.36Å; E358-R361 PolarHBondContact O-N 2.81Å; L359-R361 PolarHBondContact O-N 2.89Å; R361-R363 VanDerWaalsContact C-N 3.29Å; R361-R363 PolarHBondContact O-N 2.87Å; R361-I472 HydrophobicContact CB-CG2 4.36Å; R361-N473 PolarHBondContact NH1-OD1 3.11Å; R361-N473 VanDerWaalsContact NH1-OD1 3.15Å; R361-E476 HydrophobicContact CB-CG 4.16Å; R361-E476 WeakPolarHBondContact CD-OE2 3.48Å
362	V	95	Very high	92.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	12.4	177.9	-69	0	0	0	0	113.6	L359 N360 F386 I472 K475 E476 I479	L359-V362 HydrophobicContact CD1-CG2 4.31Å; L359-V362 VanDerWaalsContact O-CG2 3.31Å; L359-V362 WeakPolarHBondContact O-CG2 3.37Å; L359-V362 PolarHBondContact O-N 2.86Å; N360-V362 PolarHBondContact O-N 3.39Å; V362-F386 HydrophobicContact CG2-CD2 3.75Å; V362-F386 HydrophobicContact CG2-CE2 4.47Å; V362-F386 PolarHBondContact O-N 3.47Å; V362-F386 VanDerWaalsContact O-N 3.09Å; V362-I472 HydrophobicContact CG1-CB 4.4Å; V362-I472 HydrophobicContact CG1-CG2 4Å; V362-I472 VanDerWaalsContact CG1-O 3.25Å; V362-I472 WeakPolarHBondContact CG1-O 3.36Å; V362-I472 HydrophobicContact CG2-CG1 4.3Å; V362-I472 HydrophobicContact CG2-CG2 4.37Å; V362-K475 HydrophobicContact CG1-CB 3.79Å; V362-K475 HydrophobicContact CG1-CG 4.02Å; V362-E476 HydrophobicContact CG1-CB 4.44Å; V362-I479 HydrophobicContact CB-CD1 4.36Å; V362-I479 HydrophobicContact CG1-CD1 4.36Å
363	R	95.8	Very high	92.6	Very high	27 Å²	27	45.9 Å²	45.9	10%	0.102	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-77.7	131.1	177.8	-172.6	-179.2	60.9	87.8	3.3	112.1	L359 N360 R361 K368 F386 N444 Q445 E446 F447	L359-R363 PolarHBondContact O-N 3.32Å; N360-R363 WeakPolarHBondContact O-CB 3.1Å; N360-R363 PolarHBondContact O-N 3.48Å; N360-R363 VanDerWaalsContact O-N 3.16Å; N360-R363 VanDerWaalsContact OD1-CD 3.23Å; N360-R363 WeakPolarHBondContact OD1-CD 3.36Å; N360-R363 PolarHBondContact OD1-NE 3.32Å; N360-R363 VanDerWaalsContact OD1-NE 3.1Å; R361-R363 VanDerWaalsContact C-N 3.29Å; R361-R363 PolarHBondContact O-N 2.87Å; R363-K368 PolarHBondContact O-NZ 3.42Å; R363-F386 WeakPolarHBondContact CA-O 3.29Å; R363-N444 PolarHBondContact NH1-O 2.7Å; R363-Q445 PolarHBondContact NH1-O 2.88Å; R363-E446 VanDerWaalsContact CZ-CG 3.41Å; R363-E446 IonicContact NH2-OE1 2.63Å; R363-E446 PolarHBondContact NH2-OE1 3.06Å; R363-F447 HydrophobicContact CB-CE2 3.82Å; R363-F447 HydrophobicContact CB-CZ 4.26Å; R363-F447 HydrophobicContact CG-CD2 4.49Å; R363-F447 HydrophobicContact CG-CE2 3.78Å; R363-F447 HydrophobicContact CG-CZ 3.8Å
364	L	96	Very high	92.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-98.6	121.8	167.7	-57.1	-176.2	0	0	0	110.5	K368 L369 W372 V382 C385 F386 V387 I405 I479	L364-K368 HydrophobicContact CD2-CB 4.44Å; L364-K368 HydrophobicContact CD2-CD 3.79Å; L364-L369 HydrophobicContact CB-CD2 4.12Å; L364-L369 HydrophobicContact CB-CG 4.13Å; L364-L369 HydrophobicContact CD1-CD2 3.76Å; L364-W372 HydrophobicContact CD1-CZ3 4.37Å; L364-W372 HydrophobicContact CD2-CE3 4.49Å; L364-W372 HydrophobicContact CD2-CH2 4.44Å; L364-W372 HydrophobicContact CD2-CZ3 3.69Å; L364-V382 HydrophobicContact CD1-CB 3.81Å; L364-V382 HydrophobicContact CD1-CG1 3.57Å; L364-C385 HydrophobicContact CD1-CB 3.64Å; L364-C385 HydrophobicContact CG-CB 3.75Å; L364-F386 PolarHBondContact N-O 2.92Å; L364-V387 HydrophobicContact CB-CG1 4.1Å; L364-I405 HydrophobicContact CD1-CD1 4.11Å; L364-I479 HydrophobicContact CD2-CD1 4.31Å
365	S	95.7	Very high	92.9	Very high	20 Å²	20	44.5 Å²	44.5	14%	0.14	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-81.7	160.9	168.7	62.8	0	0	0	0	110.6	H367 K368 L369	S365-H367 PolarHBondContact O-N 3.46Å; S365-K368 PolarHBondContact O-N 3.32Å; S365-K368 PolarHBondContact OG-N 2.85Å; S365-L369 PolarHBondContact O-N 3.36Å; S365-L369 VanDerWaalsContact O-N 3.11Å
366	R	95.1	Very high	92.7	Very high	87 Å²	87	42.6 Å²	42.6	33%	0.328	19%	0.191	S	C	.	.	H	α-helix	trans	-53.1	-39.8	175.2	-164.3	177.5	64.6	-152.8	-0.6	111.7	K368 L369 E370 L417 N444	R366-K368 PolarHBondContact O-N 3.44Å; R366-L369 PolarHBondContact O-N 2.85Å; R366-E370 VanDerWaalsContact O-CB 3.26Å; R366-E370 WeakPolarHBondContact O-CB 3.15Å; R366-E370 PolarHBondContact O-N 2.95Å; R366-L417 HydrophobicContact CG-CD1 3.98Å; R366-N444 WeakPolarHBondContact CB-OD1 3.4Å; R366-N444 PolarHBondContact N-OD1 2.85Å; R366-N444 VanDerWaalsContact N-OD1 3.13Å
367	H	94.1	Very high	92.5	Very high	86 Å²	86	43.1 Å²	43.1	40%	0.398	19%	0.19	S	C	.	.	H	α-helix	trans	-75	-16	177.7	-61.2	-53.5	0	0	0	115.7	S365 E370 R371 N444	S365-H367 PolarHBondContact O-N 3.46Å; H367-E370 IonicContact CE1-OE2 3.1Å; H367-E370 IonicContact ND1-OE2 3.62Å; H367-E370 PolarHBondContact ND1-OE2 2.94Å; H367-R371 PolarHBondContact O-NE 3Å; H367-N444 VanDerWaalsContact CD2-CG 3.49Å; H367-N444 PolarHBondContact CD2-ND2 3.03Å; H367-N444 PolarHBondContact CD2-OD1 2.89Å; H367-N444 VanDerWaalsContact CD2-OD1 3.32Å; H367-N444 PolarHBondContact N-OD1 3.34Å; H367-N444 PolarHBondContact NE2-ND2 3.2Å
368	K	93.1	Very high	92.5	Very high	47 Å²	47	36.8 Å²	36.8	20%	0.204	16%	0.161	C	C	.	.	H	α-helix	trans	-74.8	-48.6	163.9	-73	-178.1	-174	173.3	0	109.2	R363 L364 S365 R366 E370 R371 W372	R363-K368 PolarHBondContact O-NZ 3.42Å; L364-K368 HydrophobicContact CD2-CB 4.44Å; L364-K368 HydrophobicContact CD2-CD 3.79Å; S365-K368 PolarHBondContact O-N 3.32Å; S365-K368 PolarHBondContact OG-N 2.85Å; R366-K368 PolarHBondContact O-N 3.44Å; K368-E370 PolarHBondContact O-N 3.17Å; K368-R371 PolarHBondContact O-N 2.76Å; K368-W372 WeakPolarHBondContact O-CB 3.34Å; K368-W372 PolarHBondContact O-N 2.6Å; K368-W372 VanDerWaalsContact O-N 3.08Å
369	L	94.4	Very high	92.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.4	-41.7	-179.7	-64.3	169.8	0	0	0	113.1	L364 S365 R366 R371 W372 C373 F378 V382 V387 L426 L439 V442	L364-L369 HydrophobicContact CB-CD2 4.12Å; L364-L369 HydrophobicContact CB-CG 4.13Å; L364-L369 HydrophobicContact CD1-CD2 3.76Å; S365-L369 PolarHBondContact O-N 3.36Å; S365-L369 VanDerWaalsContact O-N 3.11Å; R366-L369 PolarHBondContact O-N 2.85Å; L369-R371 PolarHBondContact O-N 2.8Å; L369-W372 CarbonylContact O-C 3.57Å; L369-W372 PolarHBondContact O-N 3Å; L369-C373 VanDerWaalsContact O-CB 3.26Å; L369-C373 WeakPolarHBondContact O-CB 3.08Å; L369-C373 PolarHBondContact O-N 3.03Å; L369-F378 HydrophobicContact CD2-CE2 4Å; L369-F378 HydrophobicContact CD2-CZ 4.18Å; L369-V382 HydrophobicContact CD2-CG1 3.91Å; L369-V387 HydrophobicContact CD1-CG1 4.22Å; L369-L426 HydrophobicContact CD1-CD1 3.96Å; L369-L426 HydrophobicContact CD2-CD1 4.44Å; L369-L439 HydrophobicContact CB-CD2 4.04Å; L369-L439 HydrophobicContact CB-CG 4.44Å; L369-V442 HydrophobicContact CD1-CB 4.06Å; L369-V442 HydrophobicContact CD1-CG1 3.84Å; L369-V442 HydrophobicContact CD1-CG2 3.85Å
370	E	93.2	Very high	92.5	Very high	39 Å²	39	46.2 Å²	46.2	18%	0.182	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-45.3	177.6	-178.5	179.7	-175.8	0	0	112.1	R366 H367 K368 C373 L417 G418 G419 T420	R366-E370 VanDerWaalsContact O-CB 3.26Å; R366-E370 WeakPolarHBondContact O-CB 3.15Å; R366-E370 PolarHBondContact O-N 2.95Å; H367-E370 IonicContact CE1-OE2 3.1Å; H367-E370 IonicContact ND1-OE2 3.62Å; H367-E370 PolarHBondContact ND1-OE2 2.94Å; K368-E370 PolarHBondContact O-N 3.17Å; E370-C373 PolarHBondContact O-SG 3.03Å; E370-L417 HydrophobicContact CB-CD2 4.2Å; E370-L417 HydrophobicContact CB-CG 4.2Å; E370-L417 HydrophobicContact CG-CG 4.27Å; E370-G418 WeakPolarHBondContact OE1-CA 3.46Å; E370-G419 PolarHBondContact OE1-N 3.05Å; E370-T420 HydrophobicContact CG-CG2 4.29Å
371	R	90.1	Very high	92.5	Very high	167 Å²	167	45.7 Å²	45.7	63%	0.63	21%	0.207	S	C	*	.	H	α-helix	trans	-67.1	-36.9	175.3	-74.4	-177.2	-73.8	168.8	-5.7	112.4	H367 K368 L369	H367-R371 PolarHBondContact O-NE 3Å; K368-R371 PolarHBondContact O-N 2.76Å; L369-R371 PolarHBondContact O-N 2.8Å
372	W	91.6	Very high	92.6	Very high	16 Å²	16	40.5 Å²	40.5	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-90.1	-13.4	-174.4	-69.2	-20.8	0	0	0	115.7	L364 K368 L369 H374 M375 F378 T381 V382 I479 A482 L483	L364-W372 HydrophobicContact CD1-CZ3 4.37Å; L364-W372 HydrophobicContact CD2-CE3 4.49Å; L364-W372 HydrophobicContact CD2-CH2 4.44Å; L364-W372 HydrophobicContact CD2-CZ3 3.69Å; K368-W372 WeakPolarHBondContact O-CB 3.34Å; K368-W372 PolarHBondContact O-N 2.6Å; K368-W372 VanDerWaalsContact O-N 3.08Å; L369-W372 CarbonylContact O-C 3.57Å; L369-W372 PolarHBondContact O-N 3Å; W372-H374 PolarHBondContact O-N 2.59Å; W372-M375 HydrophobicContact CB-CG 4.36Å; W372-M375 WeakPolarHBondContact O-CB 3.41Å; W372-M375 WeakPolarHBondContact O-CG 3.48Å; W372-M375 PolarHBondContact O-N 2.64Å; W372-F378 HydrophobicContact CB-CD2 3.81Å; W372-F378 HydrophobicContact CB-CE2 4.18Å; W372-F378 WeakPolarHBondContact O-CD2 3.28Å; W372-T381 HydrophobicContact CE3-CG2 4.14Å; W372-T381 HydrophobicContact CH2-CG2 3.75Å; W372-T381 HydrophobicContact CZ2-CG2 4.46Å; W372-T381 HydrophobicContact CZ3-CG2 3.57Å; W372-V382 HydrophobicContact CE3-CG1 4.46Å; W372-I479 HydrophobicContact CH2-CG2 4.04Å; W372-A482 HydrophobicContact CH2-CB 4.05Å; W372-A482 HydrophobicContact CZ2-CB 3.79Å; W372-A482 PolarHBondContact NE1-O 3.34Å; W372-L483 HydrophobicContact CZ2-CD2 3.68Å; W372-L483 HydrophobicContact CZ2-CG 3.82Å
373	C	91.2	Very high	92.6	Very high	1 Å²	1	43 Å²	43	1%	0.007	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-7.1	-170.1	65.8	0	0	0	0	116.5	L369 E370 F378 L417 L439	L369-C373 VanDerWaalsContact O-CB 3.26Å; L369-C373 WeakPolarHBondContact O-CB 3.08Å; L369-C373 PolarHBondContact O-N 3.03Å; E370-C373 PolarHBondContact O-SG 3.03Å; C373-F378 HydrophobicContact CB-CE2 4.44Å; C373-F378 HydrophobicContact CB-CZ 4.45Å; C373-L417 HydrophobicContact CB-CD2 4.48Å; C373-L439 HydrophobicContact CB-CD2 3.92Å
374	H	90	Very high	92.5	Very high	11 Å²	11	43 Å²	43	5%	0.051	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	3.2	174.6	-61.6	-81.4	0	0	0	113.3	W372 T420 R421 I495 K499 F502	W372-H374 PolarHBondContact O-N 2.59Å; H374-T420 PolarHBondContact NE2-OG1 2.9Å; H374-R421 PolarHBondContact CE1-O 3.13Å; H374-R421 VanDerWaalsContact CE1-O 3.24Å; H374-R421 PolarHBondContact NE2-O 3.09Å; H374-I495 HydrophobicContact CB-CG2 4.45Å; H374-I495 VanDerWaalsContact O-CG1 3.28Å; H374-I495 WeakPolarHBondContact O-CG1 3.47Å; H374-K499 HydrophobicContact CB-CG 4.24Å; H374-F502 AromaticContact CE1-CD2 3.89Å; H374-F502 AromaticContact CE1-CE2 3.94Å
375	M	88	Confident	92.5	Very high	20 Å²	20	43 Å²	43	10%	0.099	21%	0.212	C	C	.	.			trans	-80.2	138.9	-179.5	-59.9	-60.1	-66.7	0	0	110.6	W372 F377 F378 Y485 F487 I495	W372-M375 HydrophobicContact CB-CG 4.36Å; W372-M375 WeakPolarHBondContact O-CB 3.41Å; W372-M375 WeakPolarHBondContact O-CG 3.48Å; W372-M375 PolarHBondContact O-N 2.64Å; M375-F377 VanDerWaalsContact C-N 3.29Å; M375-F377 HydrophobicContact CB-CD2 4.39Å; M375-F377 HydrophobicContact CB-CE1 4.48Å; M375-F377 HydrophobicContact CB-CE2 4.2Å; M375-F377 HydrophobicContact CB-CZ 4.26Å; M375-F377 HydrophobicContact CE-CE1 3.49Å; M375-F377 VanDerWaalsContact CE-CE1 3.49Å; M375-F377 HydrophobicContact CE-CE2 4.29Å; M375-F377 HydrophobicContact CE-CZ 3.35Å; M375-F377 HydrophobicContact CG-CZ 4.42Å; M375-F377 PolarHBondContact O-N 2.81Å; M375-F378 HydrophobicContact CB-CB 4.46Å; M375-F378 WeakPolarHBondContact O-CB 3.37Å; M375-F378 PolarHBondContact O-N 3.18Å; M375-Y485 HydrophobicContact CE-CD1 4.46Å; M375-F487 HydrophobicContact CE-CD1 3.83Å; M375-F487 HydrophobicContact CE-CE1 3.44Å; M375-F487 VanDerWaalsContact CE-CE1 3.44Å; M375-F487 HydrophobicContact CE-CZ 4.33Å; M375-F487 HydrophobicContact SD-CD1 4.48Å; M375-F487 HydrophobicContact SD-CE1 3.75Å; M375-I495 HydrophobicContact CE-CD1 3.97Å; M375-I495 HydrophobicContact SD-CD1 3.53Å; M375-I495 VanDerWaalsContact SD-CD1 3.53Å; M375-I495 HydrophobicContact SD-CG1 4.08Å
376	P	86.9	Confident	92.5	Very high	48 Å²	48	42.6 Å²	42.6	31%	0.312	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-38.7	-179.3	21.1	-31.2	0	0	0	112.3	F378 D491	P376-F378 VanDerWaalsContact C-N 3.26Å; P376-F378 PolarHBondContact O-N 3.14Å; P376-D491 HydrophobicContact CG-CB 4.3Å; P376-D491 WeakPolarHBondContact CG-OD1 3.48Å
377	F	87.6	Confident	92.6	Very high	36 Å²	36	38.5 Å²	38.5	16%	0.158	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	5.1	176.7	56.5	-101.8	0	0	0	114.8	M375 A379 K380 T381 A482 Y485	M375-F377 VanDerWaalsContact C-N 3.29Å; M375-F377 HydrophobicContact CB-CD2 4.39Å; M375-F377 HydrophobicContact CB-CE1 4.48Å; M375-F377 HydrophobicContact CB-CE2 4.2Å; M375-F377 HydrophobicContact CB-CZ 4.26Å; M375-F377 HydrophobicContact CE-CE1 3.49Å; M375-F377 VanDerWaalsContact CE-CE1 3.49Å; M375-F377 HydrophobicContact CE-CE2 4.29Å; M375-F377 HydrophobicContact CE-CZ 3.35Å; M375-F377 HydrophobicContact CG-CZ 4.42Å; M375-F377 PolarHBondContact O-N 2.81Å; F377-A379 VanDerWaalsContact C-N 3.34Å; F377-A379 PolarHBondContact O-N 3.46Å; F377-K380 PolarHBondContact O-N 3.48Å; F377-T381 WeakPolarHBondContact CD2-OG1 3.45Å; F377-T381 PolarHBondContact O-N 3.33Å; F377-A482 HydrophobicContact CE2-CB 4.04Å; F377-Y485 HydrophobicContact CD1-CD2 4.41Å; F377-Y485 HydrophobicContact CD1-CE1 4.42Å; F377-Y485 HydrophobicContact CD1-CE2 4.25Å; F377-Y485 AromaticContact CE1-CD1 3.47Å; F377-Y485 HydrophobicContact CE1-CD1 3.47Å; F377-Y485 VanDerWaalsContact CE1-CD1 3.47Å; F377-Y485 AromaticContact CE1-CD2 3.73Å; F377-Y485 HydrophobicContact CE1-CD2 3.73Å; F377-Y485 AromaticContact CE1-CE1 3.63Å; F377-Y485 HydrophobicContact CE1-CE1 3.63Å; F377-Y485 AromaticContact CE1-CE2 3.88Å; F377-Y485 HydrophobicContact CE1-CE2 3.88Å; F377-Y485 AromaticContact CE1-CG 3.51Å; F377-Y485 HydrophobicContact CE1-CG 3.51Å; F377-Y485 AromaticContact CE1-CZ 3.84Å; F377-Y485 AromaticContact CZ-CD1 3.89Å; F377-Y485 HydrophobicContact CZ-CD1 3.89Å; F377-Y485 HydrophobicContact CZ-CD2 4.04Å; F377-Y485 HydrophobicContact CZ-CE1 4.48Å; F377-Y485 AromaticContact CZ-CG 3.62Å; F377-Y485 HydrophobicContact CZ-CG 3.62Å
378	F	92.2	Very high	92.8	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.039	18%	0.177	C	C	.	.	H	α-helix	trans	-47.1	-53.8	-175.5	175.4	-113.9	0	0	0	112.4	L369 W372 C373 M375 P376 K380 T381 V382 V408 K424 L426 L439	L369-F378 HydrophobicContact CD2-CE2 4Å; L369-F378 HydrophobicContact CD2-CZ 4.18Å; W372-F378 HydrophobicContact CB-CD2 3.81Å; W372-F378 HydrophobicContact CB-CE2 4.18Å; W372-F378 WeakPolarHBondContact O-CD2 3.28Å; C373-F378 HydrophobicContact CB-CE2 4.44Å; C373-F378 HydrophobicContact CB-CZ 4.45Å; M375-F378 HydrophobicContact CB-CB 4.46Å; M375-F378 WeakPolarHBondContact O-CB 3.37Å; M375-F378 PolarHBondContact O-N 3.18Å; P376-F378 VanDerWaalsContact C-N 3.26Å; P376-F378 PolarHBondContact O-N 3.14Å; F378-K380 VanDerWaalsContact C-N 3.34Å; F378-K380 PolarHBondContact O-N 2.95Å; F378-T381 PolarHBondContact O-N 3.41Å; F378-V382 HydrophobicContact CD2-CG1 3.73Å; F378-V382 HydrophobicContact CE1-CG2 4.33Å; F378-V382 HydrophobicContact CE2-CG1 3.47Å; F378-V382 VanDerWaalsContact CE2-CG1 3.47Å; F378-V382 HydrophobicContact CE2-CG2 4.43Å; F378-V382 HydrophobicContact CZ-CG1 4.03Å; F378-V382 HydrophobicContact CZ-CG2 4.23Å; F378-V382 WeakPolarHBondContact O-CG1 3.43Å; F378-V382 WeakPolarHBondContact O-CG2 3.45Å; F378-V382 PolarHBondContact O-N 3.28Å; F378-V408 HydrophobicContact CD1-CG1 4.11Å; F378-V408 HydrophobicContact CD1-CG2 4.03Å; F378-V408 HydrophobicContact CE1-CB 4.45Å; F378-V408 HydrophobicContact CE1-CG1 3.82Å; F378-V408 HydrophobicContact CE1-CG2 3.75Å; F378-K424 HydrophobicContact CE1-CB 4.48Å; F378-L426 HydrophobicContact CE1-CD2 4.43Å; F378-L426 HydrophobicContact CZ-CD2 4.18Å; F378-L439 HydrophobicContact CZ-CD2 4.06Å
379	A	93.5	Very high	92.9	Very high	44 Å²	44	33.5 Å²	33.5	36%	0.364	17%	0.168	S	C	.	.	H	α-helix	trans	-60	-39.9	-179	0	0	0	0	0	113.1	F377 T383 V408	F377-A379 VanDerWaalsContact C-N 3.34Å; F377-A379 PolarHBondContact O-N 3.46Å; A379-T383 VanDerWaalsContact O-CB 3.31Å; A379-T383 WeakPolarHBondContact O-CB 3.3Å; A379-T383 PolarHBondContact O-N 2.97Å; A379-T383 VanDerWaalsContact O-N 3.13Å; A379-T383 PolarHBondContact O-OG1 2.77Å; A379-V408 HydrophobicContact CB-CB 4.11Å; A379-V408 HydrophobicContact CB-CG2 4.07Å
380	K	92.5	Very high	93	Very high	177 Å²	177	34.2 Å²	34.2	77%	0.77	18%	0.176	S	C	*	.	H	α-helix	trans	-68.2	-42	178.4	-172.7	-178.5	179	-174.6	0	111.6	F377 F378 K475	F377-K380 PolarHBondContact O-N 3.48Å; F378-K380 VanDerWaalsContact C-N 3.34Å; F378-K380 PolarHBondContact O-N 2.95Å; K380-K475 PolarHBondContact O-NZ 3.02Å
381	T	92.6	Very high	93	Very high	15 Å²	15	36 Å²	36	9%	0.092	19%	0.186	C	C	.	.	H	α-helix	trans	-70.3	-43.4	178.8	-65.2	0	0	0	0	111.9	W372 F377 F378 C385 K475 A482	W372-T381 HydrophobicContact CE3-CG2 4.14Å; W372-T381 HydrophobicContact CH2-CG2 3.75Å; W372-T381 HydrophobicContact CZ2-CG2 4.46Å; W372-T381 HydrophobicContact CZ3-CG2 3.57Å; F377-T381 WeakPolarHBondContact CD2-OG1 3.45Å; F377-T381 PolarHBondContact O-N 3.33Å; F378-T381 PolarHBondContact O-N 3.41Å; T381-C385 PolarHBondContact O-SG 3.29Å; T381-K475 WeakPolarHBondContact O-CE 3.2Å; T381-K475 PolarHBondContact O-NZ 2.81Å; T381-A482 HydrophobicContact CG2-CB 3.51Å
382	V	95.2	Very high	93	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-80.7	-24.2	-175.3	-52.9	0	0	0	0	114.7	L364 L369 W372 F378 G384 C385 I405 V408 L426	L364-V382 HydrophobicContact CD1-CB 3.81Å; L364-V382 HydrophobicContact CD1-CG1 3.57Å; L369-V382 HydrophobicContact CD2-CG1 3.91Å; W372-V382 HydrophobicContact CE3-CG1 4.46Å; F378-V382 HydrophobicContact CD2-CG1 3.73Å; F378-V382 HydrophobicContact CE1-CG2 4.33Å; F378-V382 HydrophobicContact CE2-CG1 3.47Å; F378-V382 VanDerWaalsContact CE2-CG1 3.47Å; F378-V382 HydrophobicContact CE2-CG2 4.43Å; F378-V382 HydrophobicContact CZ-CG1 4.03Å; F378-V382 HydrophobicContact CZ-CG2 4.23Å; F378-V382 WeakPolarHBondContact O-CG1 3.43Å; F378-V382 WeakPolarHBondContact O-CG2 3.45Å; F378-V382 PolarHBondContact O-N 3.28Å; V382-G384 PolarHBondContact O-N 2.73Å; V382-C385 VanDerWaalsContact O-CB 3.25Å; V382-C385 WeakPolarHBondContact O-CB 3.29Å; V382-C385 PolarHBondContact O-N 2.98Å; V382-I405 HydrophobicContact CB-CD1 3.89Å; V382-I405 HydrophobicContact CG2-CD1 4.35Å; V382-I405 HydrophobicContact CG2-CG2 4.07Å; V382-I405 WeakPolarHBondContact O-CB 3.47Å; V382-V408 HydrophobicContact CG2-CG2 3.42Å; V382-V408 VanDerWaalsContact CG2-CG2 3.42Å; V382-L426 HydrophobicContact CG2-CD2 4.27Å
383	T	95.5	Very high	93	Very high	53 Å²	53	34.9 Å²	34.9	33%	0.325	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	128.7	178.5	-58.7	0	0	0	0	110.8	A379 C385 I405 K475	A379-T383 VanDerWaalsContact O-CB 3.31Å; A379-T383 WeakPolarHBondContact O-CB 3.3Å; A379-T383 PolarHBondContact O-N 2.97Å; A379-T383 VanDerWaalsContact O-N 3.13Å; A379-T383 PolarHBondContact O-OG1 2.77Å; T383-C385 VanDerWaalsContact C-N 3.33Å; T383-I405 WeakPolarHBondContact CA-O 3.48Å; T383-K475 VanDerWaalsContact O-CE 3.28Å; T383-K475 WeakPolarHBondContact O-CE 3.47Å; T383-K475 PolarHBondContact O-NZ 3.13Å
384	G	93.8	Very high	92.8	Very high	28 Å²	28	40.7 Å²	40.7	29%	0.289	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	3.7	-170.9	0	0	0	0	0	114.8	V382 I405	V382-G384 PolarHBondContact O-N 2.73Å; G384-I405 PolarHBondContact N-O 2.64Å
385	C	95.6	Very high	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.			trans	-87.7	162.9	165.8	-62.3	0	0	0	0	111.2	L364 T381 V382 T383 I405 K475	L364-C385 HydrophobicContact CD1-CB 3.64Å; L364-C385 HydrophobicContact CG-CB 3.75Å; T381-C385 PolarHBondContact O-SG 3.29Å; V382-C385 VanDerWaalsContact O-CB 3.25Å; V382-C385 WeakPolarHBondContact O-CB 3.29Å; V382-C385 PolarHBondContact O-N 2.98Å; T383-C385 VanDerWaalsContact C-N 3.33Å; C385-I405 HydrophobicContact CB-CD1 4.36Å; C385-I405 PolarHBondContact O-N 2.67Å; C385-K475 WeakPolarHBondContact SG-CE 3.44Å
386	F	96.4	Very high	92.5	Very high	11 Å²	11	50.7 Å²	50.7	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	149.2	177.9	-71.6	-95.9	0	0	0	112	L359 V362 R363 L364 V402 A403 E404 F447 W455 P467	L359-F386 HydrophobicContact CD1-CD1 4.25Å; L359-F386 HydrophobicContact CD1-CD2 3.8Å; L359-F386 HydrophobicContact CD1-CE1 4.27Å; L359-F386 HydrophobicContact CD1-CE2 3.83Å; L359-F386 HydrophobicContact CD1-CG 4.02Å; L359-F386 HydrophobicContact CD1-CZ 4.07Å; L359-F386 HydrophobicContact CD2-CD1 4.06Å; L359-F386 HydrophobicContact CD2-CE1 4.48Å; L359-F386 HydrophobicContact CD2-CG 4.24Å; L359-F386 HydrophobicContact CG-CB 4.41Å; L359-F386 HydrophobicContact CG-CD1 4.37Å; L359-F386 HydrophobicContact CG-CD2 4.29Å; L359-F386 HydrophobicContact CG-CG 4.09Å; V362-F386 HydrophobicContact CG2-CD2 3.75Å; V362-F386 HydrophobicContact CG2-CE2 4.47Å; V362-F386 PolarHBondContact O-N 3.47Å; V362-F386 VanDerWaalsContact O-N 3.09Å; R363-F386 WeakPolarHBondContact CA-O 3.29Å; L364-F386 PolarHBondContact N-O 2.92Å; F386-V402 HydrophobicContact CD1-CG1 3.9Å; F386-A403 CarbonylContact C-O 3.58Å; F386-A403 WeakPolarHBondContact CA-O 3.42Å; F386-E404 HydrophobicContact CD1-CB 4.11Å; F386-E404 HydrophobicContact CE1-CB 3.64Å; F386-E404 HydrophobicContact CE1-CG 4.1Å; F386-E404 HydrophobicContact CE2-CG 4.44Å; F386-E404 HydrophobicContact CZ-CB 4.03Å; F386-E404 HydrophobicContact CZ-CG 3.96Å; F386-F447 HydrophobicContact CB-CE2 4.09Å; F386-F447 HydrophobicContact CB-CZ 3.81Å; F386-W455 HydrophobicContact CD1-CZ2 4.5Å; F386-W455 AromaticContact CE1-CE2 3.99Å; F386-W455 HydrophobicContact CE1-CH2 4.34Å; F386-W455 AromaticContact CE1-CZ2 3.56Å; F386-W455 HydrophobicContact CE1-CZ2 3.56Å; F386-W455 HydrophobicContact CZ-CZ2 4Å; F386-P467 HydrophobicContact CE2-CG 4.31Å; F386-P467 HydrophobicContact CZ-CG 4.07Å
387	V	97.3	Very high	92.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	147.7	176.6	-72.7	0	0	0	0	111.5	L364 L369 I389 A403 I405 L426 L428 V442	L364-V387 HydrophobicContact CB-CG1 4.1Å; L369-V387 HydrophobicContact CD1-CG1 4.22Å; V387-I389 PolarHBondContact O-N 2.73Å; V387-A403 HydrophobicContact CG2-CB 4.49Å; V387-A403 PolarHBondContact N-O 3.24Å; V387-A403 PolarHBondContact O-N 3.04Å; V387-I405 HydrophobicContact CG1-CD1 3.79Å; V387-I405 HydrophobicContact CG1-CG1 4.19Å; V387-I405 HydrophobicContact CG2-CG1 4.14Å; V387-L426 HydrophobicContact CG1-CD1 4.31Å; V387-L428 HydrophobicContact CG2-CD1 3.79Å; V387-L428 HydrophobicContact CG2-CD2 3.53Å; V387-L428 HydrophobicContact CG2-CG 4.35Å; V387-V442 HydrophobicContact CB-CG1 4.06Å; V387-V442 HydrophobicContact CB-CG2 4.45Å; V387-V442 HydrophobicContact CG1-CG1 4.03Å; V387-V442 HydrophobicContact CG1-CG2 4.46Å
388	R	97.2	Very high	92.9	Very high	24 Å²	24	57.7 Å²	57.7	9%	0.091	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	97.7	170.8	-175.6	173.8	-174.6	-100.8	3	108.2	Y400 S443 Q445 E446 F447 E451	R388-Y400 HydrophobicContact CG-CD1 4.07Å; R388-Y400 HydrophobicContact CG-CG 4.21Å; R388-Y400 VanDerWaalsContact CZ-CD2 3.46Å; R388-S443 PolarHBondContact NH1-OG 2.7Å; R388-S443 VanDerWaalsContact O-CB 3.32Å; R388-S443 WeakPolarHBondContact O-CB 3.45Å; R388-S443 PolarHBondContact O-N 2.59Å; R388-Q445 WeakPolarHBondContact CD-O 3.24Å; R388-E446 WeakPolarHBondContact CD-O 3.23Å; R388-E446 PolarHBondContact NE-O 3.48Å; R388-F447 HydrophobicContact CB-CD1 3.88Å; R388-F447 HydrophobicContact CB-CE1 3.65Å; R388-F447 HydrophobicContact CG-CD1 4.28Å; R388-F447 HydrophobicContact CG-CE1 4.46Å; R388-E451 WeakPolarHBondContact CD-OE2 3.48Å; R388-E451 IonicContact CZ-OE1 3.27Å; R388-E451 IonicContact CZ-OE2 3.43Å; R388-E451 IonicContact NE-OE1 3.88Å; R388-E451 PolarHBondContact NE-OE1 3.43Å; R388-E451 IonicContact NE-OE2 3.27Å; R388-E451 PolarHBondContact NE-OE2 3Å; R388-E451 IonicContact NH2-OE1 2.64Å; R388-E451 PolarHBondContact NH2-OE1 3.42Å; R388-E451 IonicContact NH2-OE2 3.1Å
389	I	97	Very high	93	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.5	-174.9	-173.9	66.5	0	0	0	110.7	V387 I391 Y400 R401 A403 L428 F437 F441 V442	V387-I389 PolarHBondContact O-N 2.73Å; I389-I391 HydrophobicContact CG2-CG2 4.3Å; I389-Y400 CarbonylContact O-C 3.42Å; I389-Y400 VanDerWaalsContact O-CA 3.25Å; I389-Y400 WeakPolarHBondContact O-CA 3.31Å; I389-R401 HydrophobicContact CG2-CB 4.26Å; I389-R401 WeakPolarHBondContact CG2-O 3.21Å; I389-R401 PolarHBondContact N-O 2.78Å; I389-R401 PolarHBondContact O-N 2.74Å; I389-A403 HydrophobicContact CG2-CB 3.86Å; I389-L428 HydrophobicContact CB-CD1 3.83Å; I389-L428 HydrophobicContact CD1-CD1 3.85Å; I389-L428 HydrophobicContact CG1-CD1 3.75Å; I389-L428 HydrophobicContact CG2-CD1 4.21Å; I389-F437 HydrophobicContact CD1-CB 3.74Å; I389-F437 HydrophobicContact CD1-CD1 3.66Å; I389-F437 HydrophobicContact CD1-CD2 4.47Å; I389-F437 HydrophobicContact CD1-CE1 4.33Å; I389-F437 HydrophobicContact CD1-CG 3.73Å; I389-F437 HydrophobicContact CG1-CB 4.34Å; I389-F437 HydrophobicContact CG1-CD1 3.66Å; I389-F437 HydrophobicContact CG1-CD2 4.15Å; I389-F437 HydrophobicContact CG1-CE1 3.85Å; I389-F437 HydrophobicContact CG1-CE2 4.29Å; I389-F437 HydrophobicContact CG1-CG 3.81Å; I389-F437 HydrophobicContact CG1-CZ 4.15Å; I389-F441 HydrophobicContact CD1-CB 3.66Å; I389-V442 HydrophobicContact CD1-CG2 4.39Å
390	G	95.3	Very high	93.1	Very high	15 Å²	15	60.8 Å²	60.8	16%	0.155	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	120.7	170.3	0	0	0	0	0	110.3	Y400 F441	G390-Y400 VanDerWaalsContact CA-CD1 3.47Å; G390-F441 PolarHBondContact N-O 3.2Å
391	I	92.9	Very high	93.2	Very high	76 Å²	76	56.4 Å²	56.4	39%	0.39	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-4.3	-177.1	62.2	161.1	0	0	0	113.8	I389 V399 R401 F437	I389-I391 HydrophobicContact CG2-CG2 4.3Å; I391-V399 HydrophobicContact CD1-CB 4.36Å; I391-V399 HydrophobicContact CD1-CG1 3.86Å; I391-V399 HydrophobicContact CG1-CB 4.02Å; I391-V399 HydrophobicContact CG1-CG1 3.94Å; I391-V399 WeakPolarHBondContact CG1-O 3.49Å; I391-V399 PolarHBondContact N-O 3.39Å; I391-R401 HydrophobicContact CD1-CG 4.15Å; I391-R401 HydrophobicContact CG2-CG 4.39Å; I391-F437 HydrophobicContact CG2-CZ 4.34Å
392	G	90.3	Very high	93.4	Very high	40 Å²	40	55.7 Å²	55.7	41%	0.412	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130.4	-163.9	-176.9	0	0	0	0	0	111.9	V399	G392-V399 PolarHBondContact O-N 2.65Å
393	N	92.7	Very high	93.5	Very high	120 Å²	120	55.8 Å²	55.8	64%	0.642	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.7	179.2	-65.3	62.5	0	0	0	110.7	S396 K397	N393-S396 PolarHBondContact ND2-O 3.41Å; N393-K397 CarbonylContact C-O 3.59Å; N393-K397 WeakPolarHBondContact CA-O 3.48Å
394	H	86.8	Confident	93.5	Very high	123 Å²	123	55.9 Å²	55.9	57%	0.569	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.5	175.5	-178.3	-87.9	0	0	0	108.9	S396 K397 V399	H394-S396 PolarHBondContact O-N 3.25Å; H394-K397 PolarHBondContact N-O 2.85Å; H394-K397 PolarHBondContact O-N 3.07Å; H394-V399 HydrophobicContact CB-CG2 3.51Å
395	N	84.7	Confident	93.7	Very high	133 Å²	133	54.5 Å²	54.5	71%	0.711	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	57.4	-173.7	-60.1	-6.6	0	0	0	111.4	K397	N395-K397 PolarHBondContact O-N 3.1Å
396	S	87	Confident	93.7	Very high	108 Å²	108	56 Å²	56	76%	0.755	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	-27.7	-169.6	73.1	0	0	0	0	117.6	N393 H394	N393-S396 PolarHBondContact ND2-O 3.41Å; H394-S396 PolarHBondContact O-N 3.25Å
397	K	89.5	Confident	93.7	Very high	157 Å²	157	56 Å²	56	68%	0.683	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	134	-178	-63.9	-179.9	177.1	-178.6	0	111.9	N393 H394 N395 V399	N393-K397 CarbonylContact C-O 3.59Å; N393-K397 WeakPolarHBondContact CA-O 3.48Å; H394-K397 PolarHBondContact N-O 2.85Å; H394-K397 PolarHBondContact O-N 3.07Å; N395-K397 PolarHBondContact O-N 3.1Å; K397-V399 PolarHBondContact O-N 2.92Å
398	P	92.5	Very high	93.6	Very high	74 Å²	74	57.8 Å²	57.8	48%	0.481	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.4	174.2	28.9	-33.6	0	0	0	110.1	Y400	P398-Y400 HydrophobicContact CB-CE2 3.85Å; P398-Y400 HydrophobicContact CG-CE2 4.07Å
399	V	95.3	Very high	93.6	Very high	50 Å²	50	59.1 Å²	59.1	30%	0.303	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130.4	-179	-177.1	0	0	0	0	109.9	I391 G392 H394 K397	I391-V399 HydrophobicContact CD1-CB 4.36Å; I391-V399 HydrophobicContact CD1-CG1 3.86Å; I391-V399 HydrophobicContact CG1-CB 4.02Å; I391-V399 HydrophobicContact CG1-CG1 3.94Å; I391-V399 WeakPolarHBondContact CG1-O 3.49Å; I391-V399 PolarHBondContact N-O 3.39Å; G392-V399 PolarHBondContact O-N 2.65Å; H394-V399 HydrophobicContact CB-CG2 3.51Å; K397-V399 PolarHBondContact O-N 2.92Å
400	Y	95.9	Very high	93.4	Very high	69 Å²	69	64 Å²	64	27%	0.271	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	156.9	175	-61.9	-90.8	0	0	0	110.2	R388 I389 G390 P398	R388-Y400 HydrophobicContact CG-CD1 4.07Å; R388-Y400 HydrophobicContact CG-CG 4.21Å; R388-Y400 VanDerWaalsContact CZ-CD2 3.46Å; I389-Y400 CarbonylContact O-C 3.42Å; I389-Y400 VanDerWaalsContact O-CA 3.25Å; I389-Y400 WeakPolarHBondContact O-CA 3.31Å; G390-Y400 VanDerWaalsContact CA-CD1 3.47Å; P398-Y400 HydrophobicContact CB-CE2 3.85Å; P398-Y400 HydrophobicContact CG-CE2 4.07Å
401	R	94.6	Very high	93.4	Very high	85 Å²	85	64.8 Å²	64.8	32%	0.321	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.9	169	-72.5	-177.7	172.8	-173.6	1.3	109.3	I389 I391 H430 D433	I389-R401 HydrophobicContact CG2-CB 4.26Å; I389-R401 WeakPolarHBondContact CG2-O 3.21Å; I389-R401 PolarHBondContact N-O 2.78Å; I389-R401 PolarHBondContact O-N 2.74Å; I391-R401 HydrophobicContact CD1-CG 4.15Å; I391-R401 HydrophobicContact CG2-CG 4.39Å; R401-H430 PolarHBondContact NH1-CD2 3.42Å; R401-H430 VanDerWaalsContact NH1-CD2 3.34Å; R401-D433 IonicContact NH1-OD2 2.73Å; R401-D433 PolarHBondContact NH1-OD2 3.15Å
402	V	96.4	Very high	93.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	131.9	160.6	-175.4	0	0	0	0	107.9	L359 F386 H430 F447 E451 W455	L359-V402 HydrophobicContact CD2-CG1 3.48Å; L359-V402 VanDerWaalsContact CD2-CG1 3.48Å; F386-V402 HydrophobicContact CD1-CG1 3.9Å; V402-H430 PolarHBondContact O-ND1 3.13Å; V402-F447 HydrophobicContact CB-CD1 4.27Å; V402-F447 HydrophobicContact CB-CE1 4.11Å; V402-F447 HydrophobicContact CG1-CD1 4.31Å; V402-F447 HydrophobicContact CG1-CE1 3.88Å; V402-F447 HydrophobicContact CG1-CE2 4.47Å; V402-F447 HydrophobicContact CG1-CZ 3.99Å; V402-F447 HydrophobicContact CG2-CB 4.43Å; V402-F447 HydrophobicContact CG2-CD1 3.62Å; V402-F447 HydrophobicContact CG2-CE1 3.98Å; V402-F447 HydrophobicContact CG2-CG 4.07Å; V402-E451 HydrophobicContact CG2-CB 4.14Å; V402-W455 HydrophobicContact CB-CB 3.69Å; V402-W455 HydrophobicContact CB-CD2 4.31Å; V402-W455 HydrophobicContact CB-CG 3.73Å; V402-W455 HydrophobicContact CG1-CB 4.38Å; V402-W455 HydrophobicContact CG1-CD2 4.01Å; V402-W455 HydrophobicContact CG1-CG 3.91Å; V402-W455 HydrophobicContact CG2-CB 4Å; V402-W455 HydrophobicContact CG2-CG 4.41Å
403	A	96.4	Very high	93.5	Very high	2 Å²	2	72 Å²	72	2%	0.017	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.8	171.3	0	0	0	0	0	111.9	F386 V387 I389 L428 R429	F386-A403 CarbonylContact C-O 3.58Å; F386-A403 WeakPolarHBondContact CA-O 3.42Å; V387-A403 HydrophobicContact CG2-CB 4.49Å; V387-A403 PolarHBondContact N-O 3.24Å; V387-A403 PolarHBondContact O-N 3.04Å; I389-A403 HydrophobicContact CG2-CB 3.86Å; A403-L428 HydrophobicContact CB-CB 3.98Å; A403-L428 HydrophobicContact CB-CD1 4.23Å; A403-R429 CarbonylContact C-O 3.58Å; A403-R429 VanDerWaalsContact CA-O 3.27Å; A403-R429 WeakPolarHBondContact CA-O 3.4Å; A403-R429 WeakPolarHBondContact CB-O 3.33Å
404	E	95.9	Very high	93.5	Very high	54 Å²	54	70 Å²	70	25%	0.252	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.2	173.1	-172.3	-158.6	170.3	0	0	109.5	F386 T406 L428 R429	F386-E404 HydrophobicContact CD1-CB 4.11Å; F386-E404 HydrophobicContact CE1-CB 3.64Å; F386-E404 HydrophobicContact CE1-CG 4.1Å; F386-E404 HydrophobicContact CE2-CG 4.44Å; F386-E404 HydrophobicContact CZ-CB 4.03Å; F386-E404 HydrophobicContact CZ-CG 3.96Å; E404-T406 PolarHBondContact O-N 3.41Å; E404-L428 CarbonylContact O-C 3.56Å; E404-L428 VanDerWaalsContact O-CA 3.28Å; E404-L428 WeakPolarHBondContact O-CA 3.28Å; E404-R429 HydrophobicContact CB-CB 4.42Å; E404-R429 PolarHBondContact N-O 3.09Å; E404-R429 PolarHBondContact O-N 3.33Å; E404-R429 IonicContact OE2-NE 2.63Å
405	I	97.2	Very high	93.9	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	106.6	170.3	-56.3	172.3	0	0	0	109	L364 V382 T383 G384 C385 V387 G407 L426 L428	L364-I405 HydrophobicContact CD1-CD1 4.11Å; V382-I405 HydrophobicContact CB-CD1 3.89Å; V382-I405 HydrophobicContact CG2-CD1 4.35Å; V382-I405 HydrophobicContact CG2-CG2 4.07Å; V382-I405 WeakPolarHBondContact O-CB 3.47Å; T383-I405 WeakPolarHBondContact CA-O 3.48Å; G384-I405 PolarHBondContact N-O 2.64Å; C385-I405 HydrophobicContact CB-CD1 4.36Å; C385-I405 PolarHBondContact O-N 2.67Å; V387-I405 HydrophobicContact CG1-CD1 3.79Å; V387-I405 HydrophobicContact CG1-CG1 4.19Å; V387-I405 HydrophobicContact CG2-CG1 4.14Å; I405-G407 VanDerWaalsContact C-N 3.34Å; I405-G407 WeakPolarHBondContact CG2-O 3.26Å; I405-L426 HydrophobicContact CD1-CD1 3.85Å; I405-L426 HydrophobicContact CD1-CD2 4.25Å; I405-L426 HydrophobicContact CG1-CD1 4.17Å; I405-L426 HydrophobicContact CG2-CD2 4.23Å; I405-L428 HydrophobicContact CB-CD2 4.27Å; I405-L428 HydrophobicContact CG1-CD2 3.64Å
406	T	96.1	Very high	94.3	Very high	31 Å²	31	64.2 Å²	64.2	19%	0.19	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-13.7	175.7	64.9	0	0	0	0	113.3	E404 Q427 R429 Q434	E404-T406 PolarHBondContact O-N 3.41Å; T406-Q427 PolarHBondContact N-O 2.88Å; T406-Q427 WeakPolarHBondContact OG1-CG 3.36Å; T406-Q427 PolarHBondContact OG1-O 3.41Å; T406-Q427 PolarHBondContact OG1-OE1 2.63Å; T406-Q427 VanDerWaalsContact OG1-OE1 3.06Å; T406-R429 HydrophobicContact CG2-CB 3.58Å; T406-Q434 PolarHBondContact OG1-NE2 3.44Å
407	G	96	Very high	94.5	Very high	11 Å²	11	59.2 Å²	59.2	11%	0.113	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.9	179.3	179.5	0	0	0	0	0	113.3	I405 Q427	I405-G407 VanDerWaalsContact C-N 3.34Å; I405-G407 WeakPolarHBondContact CG2-O 3.26Å; G407-Q427 PolarHBondContact O-N 3.21Å
408	V	96.5	Very high	94.6	Very high	37 Å²	37	53.8 Å²	53.8	22%	0.224	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.7	175.3	-178	0	0	0	0	108.8	F378 A379 V382 K424 G425 L426	F378-V408 HydrophobicContact CD1-CG1 4.11Å; F378-V408 HydrophobicContact CD1-CG2 4.03Å; F378-V408 HydrophobicContact CE1-CB 4.45Å; F378-V408 HydrophobicContact CE1-CG1 3.82Å; F378-V408 HydrophobicContact CE1-CG2 3.75Å; A379-V408 HydrophobicContact CB-CB 4.11Å; A379-V408 HydrophobicContact CB-CG2 4.07Å; V382-V408 HydrophobicContact CG2-CG2 3.42Å; V382-V408 VanDerWaalsContact CG2-CG2 3.42Å; V408-K424 HydrophobicContact CG1-CB 4.04Å; V408-K424 HydrophobicContact CG1-CD 4.47Å; V408-G425 WeakPolarHBondContact CA-O 3.35Å; V408-L426 HydrophobicContact CG2-CD2 4.1Å
409	V	95.8	Very high	94.4	Very high	52 Å²	52	53.8 Å²	53.8	32%	0.315	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	162.6	177.1	-62.8	0	0	0	0	110.2	K424 G425 V436	V409-K424 CarbonylContact O-C 3.58Å; V409-K424 WeakPolarHBondContact O-CA 3.32Å; V409-G425 PolarHBondContact N-O 2.81Å; V409-G425 PolarHBondContact O-N 3.44Å; V409-V436 HydrophobicContact CG2-CB 4.34Å; V409-V436 HydrophobicContact CG2-CG1 3.49Å; V409-V436 VanDerWaalsContact CG2-CG1 3.49Å; V409-V436 HydrophobicContact CG2-CG2 3.82Å
410	E	94.5	Very high	94.1	Very high	108 Å²	108	52.7 Å²	52.7	51%	0.505	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	131.4	171.3	-57.5	-150.5	167.9	0	0	110.7	N423 K424	E410-N423 PolarHBondContact OE2-ND2 2.87Å; E410-K424 HydrophobicContact CG-CD 4.3Å; E410-K424 IonicContact OE1-NZ 3.91Å; E410-K424 PolarHBondContact OE1-NZ 2.79Å
411	T	93.8	Very high	93.9	Very high	31 Å²	31	55.3 Å²	55.3	19%	0.19	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	145	179.3	71.6	0	0	0	0	110.5	K413 N423 V436	T411-K413 PolarHBondContact O-N 3.13Å; T411-K413 PolarHBondContact OG1-O 2.85Å; T411-N423 WeakPolarHBondContact CB-O 3.25Å; T411-N423 PolarHBondContact N-O 3.12Å; T411-N423 PolarHBondContact OG1-O 3.09Å; T411-V436 HydrophobicContact CG2-CG1 4.29Å
412	A	93.2	Very high	93.8	Very high	113 Å²	113	51.3 Å²	51.3	93%	0.934	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	-1.3	-175.3	0	0	0	0	0	115.3
413	K	93	Very high	93.7	Very high	154 Å²	154	52.1 Å²	52.1	67%	0.67	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	114.2	179.2	-67.1	-170.3	178.2	-170.7	0	110	T411 Y415	T411-K413 PolarHBondContact O-N 3.13Å; T411-K413 PolarHBondContact OG1-O 2.85Å; K413-Y415 PolarHBondContact O-N 3.21Å
414	V	92.9	Very high	93.6	Very high	78 Å²	78	53.4 Å²	53.4	47%	0.473	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	135.5	166.1	-174.3	0	0	0	0	108.8	R421 T422 N423 F502	V414-R421 HydrophobicContact CG1-CB 4.06Å; V414-T422 WeakPolarHBondContact CA-O 3.47Å; V414-N423 HydrophobicContact CG2-CB 4.32Å; V414-F502 HydrophobicContact CB-CD1 4.38Å; V414-F502 HydrophobicContact CG1-CB 4.27Å; V414-F502 HydrophobicContact CG1-CD1 3.68Å; V414-F502 HydrophobicContact CG1-CE1 4.41Å; V414-F502 HydrophobicContact CG1-CG 4.19Å; V414-F502 HydrophobicContact CG2-CD1 3.7Å; V414-F502 HydrophobicContact CG2-CE1 3.99Å
415	Y	94.3	Very high	93.6	Very high	15 Å²	15	50.9 Å²	50.9	6%	0.059	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	168.7	177.1	63.4	-79.8	0	0	0	110.3	K413 R421 T422 K424 R438 L439 E440	K413-Y415 PolarHBondContact O-N 3.21Å; Y415-R421 WeakPolarHBondContact O-CA 3.34Å; Y415-T422 VanDerWaalsContact CD1-O 3.32Å; Y415-T422 WeakPolarHBondContact CD1-O 3.35Å; Y415-T422 HydrophobicContact CE1-CG2 4.01Å; Y415-T422 HydrophobicContact CE2-CG2 4.01Å; Y415-T422 PolarHBondContact N-O 3.34Å; Y415-T422 PolarHBondContact O-N 3.45Å; Y415-K424 WeakPolarHBondContact CE1-O 3.44Å; Y415-K424 PolarHBondContact OH-O 3.3Å; Y415-R438 HydrophobicContact CD1-CG 4Å; Y415-R438 HydrophobicContact CD2-CB 4.39Å; Y415-R438 HydrophobicContact CE1-CB 4.07Å; Y415-R438 HydrophobicContact CE1-CG 3.66Å; Y415-R438 HydrophobicContact CE2-CB 3.8Å; Y415-R438 HydrophobicContact CE2-CG 4.21Å; Y415-R438 HydrophobicContact CG-CG 4.42Å; Y415-L439 HydrophobicContact CE2-CB 4.5Å; Y415-L439 WeakPolarHBondContact OH-CB 3.26Å; Y415-L439 WeakPolarHBondContact OH-CD1 3.17Å; Y415-L439 PolarHBondContact OH-N 3Å; Y415-E440 HydrophobicContact CD2-CB 4.24Å; Y415-E440 HydrophobicContact CD2-CG 4.37Å; Y415-E440 WeakPolarHBondContact CD2-OE2 3.49Å; Y415-E440 HydrophobicContact CE2-CB 4.16Å; Y415-E440 HydrophobicContact CE2-CG 4.4Å
416	Q	92.9	Very high	93.6	Very high	120 Å²	120	50.9 Å²	50.9	56%	0.561	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	133.9	179.1	-176	162.8	-18.9	0	0	110.4	G418	Q416-G418 WeakPolarHBondContact CG-O 3.06Å; Q416-G418 PolarHBondContact NE2-O 3.21Å
417	L	92.3	Very high	93.7	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	92.7	176.8	-180	65.9	0	0	0	107.1	R366 E370 C373 G419 T420 T422 L439	R366-L417 HydrophobicContact CG-CD1 3.98Å; E370-L417 HydrophobicContact CB-CD2 4.2Å; E370-L417 HydrophobicContact CB-CG 4.2Å; E370-L417 HydrophobicContact CG-CG 4.27Å; C373-L417 HydrophobicContact CB-CD2 4.48Å; L417-G419 PolarHBondContact O-N 2.83Å; L417-T420 HydrophobicContact CB-CG2 4.34Å; L417-T420 PolarHBondContact N-O 2.88Å; L417-T420 WeakPolarHBondContact O-CG2 3.35Å; L417-T420 PolarHBondContact O-N 2.85Å; L417-T422 HydrophobicContact CB-CG2 4.19Å; L417-T422 HydrophobicContact CD2-CG2 4.2Å; L417-L439 HydrophobicContact CD1-CB 3.76Å; L417-L439 HydrophobicContact CD2-CB 3.71Å; L417-L439 HydrophobicContact CD2-CD2 3.54Å; L417-L439 HydrophobicContact CD2-CG 4.29Å; L417-L439 HydrophobicContact CG-CB 4.38Å
418	G	90.6	Very high	93.7	Very high	44 Å²	44	52 Å²	52	45%	0.454	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-118.8	-174.8	0	0	0	0	0	112.1	E370 Q416 T420	E370-G418 WeakPolarHBondContact OE1-CA 3.46Å; Q416-G418 WeakPolarHBondContact CG-O 3.06Å; Q416-G418 PolarHBondContact NE2-O 3.21Å; G418-T420 VanDerWaalsContact C-N 3.3Å; G418-T420 PolarHBondContact O-N 2.93Å
419	G	88	Confident	93.7	Very high	73 Å²	73	53.3 Å²	53.3	75%	0.753	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.3	179.7	0	0	0	0	0	115.3	E370 L417	E370-G419 PolarHBondContact OE1-N 3.05Å; L417-G419 PolarHBondContact O-N 2.83Å
420	T	89.5	Confident	93.6	Very high	28 Å²	28	51.9 Å²	51.9	17%	0.172	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	172.1	-176.5	-161.4	0	0	0	0	113.3	E370 H374 L417 G418	E370-T420 HydrophobicContact CG-CG2 4.29Å; H374-T420 PolarHBondContact NE2-OG1 2.9Å; L417-T420 HydrophobicContact CB-CG2 4.34Å; L417-T420 PolarHBondContact N-O 2.88Å; L417-T420 WeakPolarHBondContact O-CG2 3.35Å; L417-T420 PolarHBondContact O-N 2.85Å; G418-T420 VanDerWaalsContact C-N 3.3Å; G418-T420 PolarHBondContact O-N 2.93Å
421	R	91.1	Very high	93.5	Very high	124 Å²	124	46.8 Å²	46.8	47%	0.468	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	146.6	173	-69.8	179.4	179.2	173.6	-1.6	109.2	H374 V414 Y415 F502	H374-R421 PolarHBondContact CE1-O 3.13Å; H374-R421 VanDerWaalsContact CE1-O 3.24Å; H374-R421 PolarHBondContact NE2-O 3.09Å; V414-R421 HydrophobicContact CG1-CB 4.06Å; Y415-R421 WeakPolarHBondContact O-CA 3.34Å; R421-F502 HydrophobicContact CB-CB 3.77Å; R421-F502 HydrophobicContact CB-CG 4.42Å; R421-F502 WeakPolarHBondContact O-CD2 3.34Å
422	T	93.1	Very high	93.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	156.8	179.7	-171.3	0	0	0	0	111	V414 Y415 L417 K424	V414-T422 WeakPolarHBondContact CA-O 3.47Å; Y415-T422 VanDerWaalsContact CD1-O 3.32Å; Y415-T422 WeakPolarHBondContact CD1-O 3.35Å; Y415-T422 HydrophobicContact CE1-CG2 4.01Å; Y415-T422 HydrophobicContact CE2-CG2 4.01Å; Y415-T422 PolarHBondContact N-O 3.34Å; Y415-T422 PolarHBondContact O-N 3.45Å; L417-T422 HydrophobicContact CB-CG2 4.19Å; L417-T422 HydrophobicContact CD2-CG2 4.2Å; T422-K424 WeakPolarHBondContact OG1-CG 3.4Å; T422-K424 PolarHBondContact OG1-N 3.48Å
423	N	94	Very high	93.6	Very high	17 Å²	17	48.5 Å²	48.5	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-9.2	167.7	71.8	-19	0	0	0	113	E410 T411 V414 F502	E410-N423 PolarHBondContact OE2-ND2 2.87Å; T411-N423 WeakPolarHBondContact CB-O 3.25Å; T411-N423 PolarHBondContact N-O 3.12Å; T411-N423 PolarHBondContact OG1-O 3.09Å; V414-N423 HydrophobicContact CG2-CB 4.32Å; N423-F502 HydrophobicContact CB-CE1 3.88Å; N423-F502 HydrophobicContact CB-CZ 4.2Å; N423-F502 WeakPolarHBondContact OD1-CZ 3.3Å
424	K	94.5	Very high	93.6	Very high	30 Å²	30	45.1 Å²	45.1	13%	0.13	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	146.9	-174.8	-48.6	-63.1	173.7	178.8	0	110.6	F378 V408 V409 E410 Y415 T422 E498	F378-K424 HydrophobicContact CE1-CB 4.48Å; V408-K424 HydrophobicContact CG1-CB 4.04Å; V408-K424 HydrophobicContact CG1-CD 4.47Å; V409-K424 CarbonylContact O-C 3.58Å; V409-K424 WeakPolarHBondContact O-CA 3.32Å; E410-K424 HydrophobicContact CG-CD 4.3Å; E410-K424 IonicContact OE1-NZ 3.91Å; E410-K424 PolarHBondContact OE1-NZ 2.79Å; Y415-K424 WeakPolarHBondContact CE1-O 3.44Å; Y415-K424 PolarHBondContact OH-O 3.3Å; T422-K424 WeakPolarHBondContact OG1-CG 3.4Å; T422-K424 PolarHBondContact OG1-N 3.48Å; K424-E498 WeakPolarHBondContact CE-OE1 3.42Å; K424-E498 IonicContact NZ-OE1 2.82Å; K424-E498 PolarHBondContact NZ-OE1 3.27Å
425	G	95.8	Very high	93.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.2	172	0	0	0	0	0	110.1	V408 V409 F437	V408-G425 WeakPolarHBondContact CA-O 3.35Å; V409-G425 PolarHBondContact N-O 2.81Å; V409-G425 PolarHBondContact O-N 3.44Å; G425-F437 CarbonylContact C-O 3.52Å; G425-F437 WeakPolarHBondContact CA-O 3.48Å
426	L	97.2	Very high	93.9	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.2	175.4	-56.5	180	0	0	0	108.9	L369 F378 V382 V387 I405 V408 L428 V436 F437 L439 V442	L369-L426 HydrophobicContact CD1-CD1 3.96Å; L369-L426 HydrophobicContact CD2-CD1 4.44Å; F378-L426 HydrophobicContact CE1-CD2 4.43Å; F378-L426 HydrophobicContact CZ-CD2 4.18Å; V382-L426 HydrophobicContact CG2-CD2 4.27Å; V387-L426 HydrophobicContact CG1-CD1 4.31Å; I405-L426 HydrophobicContact CD1-CD1 3.85Å; I405-L426 HydrophobicContact CD1-CD2 4.25Å; I405-L426 HydrophobicContact CG1-CD1 4.17Å; I405-L426 HydrophobicContact CG2-CD2 4.23Å; V408-L426 HydrophobicContact CG2-CD2 4.1Å; L426-L428 HydrophobicContact CB-CD2 3.6Å; L426-L428 HydrophobicContact CB-CG 3.99Å; L426-L428 HydrophobicContact CD1-CD2 4.24Å; L426-L428 PolarHBondContact O-N 3.01Å; L426-V436 WeakPolarHBondContact O-CA 3.36Å; L426-F437 PolarHBondContact N-O 3.28Å; L426-F437 PolarHBondContact O-N 3Å; L426-L439 HydrophobicContact CD1-CD1 4.49Å; L426-L439 HydrophobicContact CD2-CD1 4.06Å; L426-L439 HydrophobicContact CG-CD1 3.77Å; L426-L439 HydrophobicContact CG-CG 4.29Å; L426-V442 HydrophobicContact CD1-CG2 4.18Å
427	Q	97.4	Very high	94	Very high	62 Å²	62	47.9 Å²	47.9	29%	0.29	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	113.3	164.9	-166.2	-174.7	33.1	0	0	107.3	T406 G407 Q434 V436	T406-Q427 PolarHBondContact N-O 2.88Å; T406-Q427 WeakPolarHBondContact OG1-CG 3.36Å; T406-Q427 PolarHBondContact OG1-O 3.41Å; T406-Q427 PolarHBondContact OG1-OE1 2.63Å; T406-Q427 VanDerWaalsContact OG1-OE1 3.06Å; G407-Q427 PolarHBondContact O-N 3.21Å; Q427-Q434 VanDerWaalsContact CD-NE2 3.3Å; Q427-Q434 HydrophobicContact CG-CG 4.17Å; Q427-V436 HydrophobicContact CG-CG2 4.46Å
428	L	97.1	Very high	94.2	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	139.5	-172.6	-61.3	-171.2	0	0	0	111.3	V387 I389 A403 E404 I405 L426 Q434 R435 F437	V387-L428 HydrophobicContact CG2-CD1 3.79Å; V387-L428 HydrophobicContact CG2-CD2 3.53Å; V387-L428 HydrophobicContact CG2-CG 4.35Å; I389-L428 HydrophobicContact CB-CD1 3.83Å; I389-L428 HydrophobicContact CD1-CD1 3.85Å; I389-L428 HydrophobicContact CG1-CD1 3.75Å; I389-L428 HydrophobicContact CG2-CD1 4.21Å; A403-L428 HydrophobicContact CB-CB 3.98Å; A403-L428 HydrophobicContact CB-CD1 4.23Å; E404-L428 CarbonylContact O-C 3.56Å; E404-L428 VanDerWaalsContact O-CA 3.28Å; E404-L428 WeakPolarHBondContact O-CA 3.28Å; I405-L428 HydrophobicContact CB-CD2 4.27Å; I405-L428 HydrophobicContact CG1-CD2 3.64Å; L426-L428 HydrophobicContact CB-CD2 3.6Å; L426-L428 HydrophobicContact CB-CG 3.99Å; L426-L428 HydrophobicContact CD1-CD2 4.24Å; L426-L428 PolarHBondContact O-N 3.01Å; L428-Q434 CarbonylContact O-C 3.57Å; L428-Q434 VanDerWaalsContact O-CA 3.3Å; L428-Q434 WeakPolarHBondContact O-CA 3.16Å; L428-R435 PolarHBondContact N-O 3.31Å; L428-R435 PolarHBondContact O-N 2.86Å; L428-F437 HydrophobicContact CB-CD2 4.05Å; L428-F437 HydrophobicContact CD1-CB 3.92Å; L428-F437 HydrophobicContact CD1-CD2 3.71Å; L428-F437 HydrophobicContact CD1-CE2 4.48Å; L428-F437 HydrophobicContact CD1-CG 4.05Å; L428-F437 HydrophobicContact CG-CB 4.46Å; L428-F437 HydrophobicContact CG-CD2 4.1Å
429	R	95.8	Very high	94.4	Very high	65 Å²	65	49.2 Å²	49.2	25%	0.245	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.3	174.4	-179.9	-171.7	-60	-74.2	-1.4	110.9	A403 E404 T406 G431 D433 M464	A403-R429 CarbonylContact C-O 3.58Å; A403-R429 VanDerWaalsContact CA-O 3.27Å; A403-R429 WeakPolarHBondContact CA-O 3.4Å; A403-R429 WeakPolarHBondContact CB-O 3.33Å; E404-R429 HydrophobicContact CB-CB 4.42Å; E404-R429 PolarHBondContact N-O 3.09Å; E404-R429 PolarHBondContact O-N 3.33Å; E404-R429 IonicContact OE2-NE 2.63Å; T406-R429 HydrophobicContact CG2-CB 3.58Å; R429-G431 VanDerWaalsContact CG-O 3.28Å; R429-G431 WeakPolarHBondContact CG-O 2.9Å; R429-D433 CarbonylContact C-O 3.54Å; R429-D433 WeakPolarHBondContact CA-O 3.29Å; R429-M464 HydrophobicContact CG-CE 4.35Å
430	H	94.6	Very high	94.7	Very high	22 Å²	22	48.5 Å²	48.5	10%	0.102	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	96.1	172.6	175.4	88.6	0	0	0	108.8	R401 V402 N432 D433 W455	R401-H430 PolarHBondContact NH1-CD2 3.42Å; R401-H430 VanDerWaalsContact NH1-CD2 3.34Å; V402-H430 PolarHBondContact O-ND1 3.13Å; H430-N432 PolarHBondContact O-N 2.85Å; H430-D433 PolarHBondContact N-O 3.38Å; H430-D433 WeakPolarHBondContact O-CB 3.27Å; H430-D433 PolarHBondContact O-N 2.94Å; H430-D433 VanDerWaalsContact O-N 3.11Å; H430-W455 AromaticContact ND1-CD1 3.82Å
431	G	92	Very high	95	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-134.9	-163.3	0	0	0	0	0	110.1	R429 D433 M464	R429-G431 VanDerWaalsContact CG-O 3.28Å; R429-G431 WeakPolarHBondContact CG-O 2.9Å; G431-D433 VanDerWaalsContact C-N 3.32Å; G431-D433 PolarHBondContact O-N 3.46Å; G431-M464 VanDerWaalsContact CA-CE 3.45Å; G431-M464 WeakPolarHBondContact O-CE 3.43Å
432	N	93.8	Very high	95.3	Very high	125 Å²	125	46.3 Å²	46.3	67%	0.668	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.5	176.8	-73.7	-30.4	0	0	0	114.8	H430 Q434 A462	H430-N432 PolarHBondContact O-N 2.85Å; N432-Q434 PolarHBondContact O-N 3.48Å; N432-A462 WeakPolarHBondContact OD1-CB 3.48Å
433	D	94.6	Very high	95.4	Very high	55 Å²	55	46.9 Å²	46.9	29%	0.294	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	109.2	172.8	-93.1	-50.4	0	0	0	109.5	R401 R429 H430 G431 R435	R401-D433 IonicContact NH1-OD2 2.73Å; R401-D433 PolarHBondContact NH1-OD2 3.15Å; R429-D433 CarbonylContact C-O 3.54Å; R429-D433 WeakPolarHBondContact CA-O 3.29Å; H430-D433 PolarHBondContact N-O 3.38Å; H430-D433 WeakPolarHBondContact O-CB 3.27Å; H430-D433 PolarHBondContact O-N 2.94Å; H430-D433 VanDerWaalsContact O-N 3.11Å; G431-D433 VanDerWaalsContact C-N 3.32Å; G431-D433 PolarHBondContact O-N 3.46Å; D433-R435 IonicContact OD1-CZ 2.92Å; D433-R435 IonicContact OD1-NE 3.33Å; D433-R435 PolarHBondContact OD1-NE 3.22Å; D433-R435 IonicContact OD1-NH2 3.97Å; D433-R435 PolarHBondContact OD1-NH2 2.79Å
434	Q	95	Very high	95.5	Very high	82 Å²	82	48 Å²	48	38%	0.383	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.1	167.3	-163.2	-177.9	21.7	0	0	110.6	T406 Q427 L428 N432	T406-Q434 PolarHBondContact OG1-NE2 3.44Å; Q427-Q434 VanDerWaalsContact CD-NE2 3.3Å; Q427-Q434 HydrophobicContact CG-CG 4.17Å; L428-Q434 CarbonylContact O-C 3.57Å; L428-Q434 VanDerWaalsContact O-CA 3.3Å; L428-Q434 WeakPolarHBondContact O-CA 3.16Å; N432-Q434 PolarHBondContact O-N 3.48Å
435	R	95.7	Very high	95.5	Very high	149 Å²	149	52.7 Å²	52.7	56%	0.562	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-146	153.8	-176.2	-57.2	-175.2	-166	-154.4	4.8	111.8	L428 D433 F437	L428-R435 PolarHBondContact N-O 3.31Å; L428-R435 PolarHBondContact O-N 2.86Å; D433-R435 IonicContact OD1-CZ 2.92Å; D433-R435 IonicContact OD1-NE 3.33Å; D433-R435 PolarHBondContact OD1-NE 3.22Å; D433-R435 IonicContact OD1-NH2 3.97Å; D433-R435 PolarHBondContact OD1-NH2 2.79Å; R435-F437 HydrophobicContact CB-CD2 4.27Å; R435-F437 HydrophobicContact CB-CE2 3.81Å
436	V	96.4	Very high	95.5	Very high	76 Å²	76	58.4 Å²	58.4	46%	0.461	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.1	173.6	179.1	0	0	0	0	109.7	V409 T411 L426 Q427	V409-V436 HydrophobicContact CG2-CB 4.34Å; V409-V436 HydrophobicContact CG2-CG1 3.49Å; V409-V436 VanDerWaalsContact CG2-CG1 3.49Å; V409-V436 HydrophobicContact CG2-CG2 3.82Å; T411-V436 HydrophobicContact CG2-CG1 4.29Å; L426-V436 WeakPolarHBondContact O-CA 3.36Å; Q427-V436 HydrophobicContact CG-CG2 4.46Å
437	F	96.4	Very high	95.5	Very high	47 Å²	47	58.8 Å²	58.8	21%	0.206	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.3	173.3	-72.3	-95.1	0	0	0	111	I389 I391 G425 L426 L428 R435	I389-F437 HydrophobicContact CD1-CB 3.74Å; I389-F437 HydrophobicContact CD1-CD1 3.66Å; I389-F437 HydrophobicContact CD1-CD2 4.47Å; I389-F437 HydrophobicContact CD1-CE1 4.33Å; I389-F437 HydrophobicContact CD1-CG 3.73Å; I389-F437 HydrophobicContact CG1-CB 4.34Å; I389-F437 HydrophobicContact CG1-CD1 3.66Å; I389-F437 HydrophobicContact CG1-CD2 4.15Å; I389-F437 HydrophobicContact CG1-CE1 3.85Å; I389-F437 HydrophobicContact CG1-CE2 4.29Å; I389-F437 HydrophobicContact CG1-CG 3.81Å; I389-F437 HydrophobicContact CG1-CZ 4.15Å; I391-F437 HydrophobicContact CG2-CZ 4.34Å; G425-F437 CarbonylContact C-O 3.52Å; G425-F437 WeakPolarHBondContact CA-O 3.48Å; L426-F437 PolarHBondContact N-O 3.28Å; L426-F437 PolarHBondContact O-N 3Å; L428-F437 HydrophobicContact CB-CD2 4.05Å; L428-F437 HydrophobicContact CD1-CB 3.92Å; L428-F437 HydrophobicContact CD1-CD2 3.71Å; L428-F437 HydrophobicContact CD1-CE2 4.48Å; L428-F437 HydrophobicContact CD1-CG 4.05Å; L428-F437 HydrophobicContact CG-CB 4.46Å; L428-F437 HydrophobicContact CG-CD2 4.1Å; R435-F437 HydrophobicContact CB-CD2 4.27Å; R435-F437 HydrophobicContact CB-CE2 3.81Å
438	R	95.7	Very high	95.4	Very high	73 Å²	73	58.9 Å²	58.9	28%	0.275	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	152.9	168.8	-71.8	174	170.4	178.8	-7.7	111	Y415 E440 F441	Y415-R438 HydrophobicContact CD1-CG 4Å; Y415-R438 HydrophobicContact CD2-CB 4.39Å; Y415-R438 HydrophobicContact CE1-CB 4.07Å; Y415-R438 HydrophobicContact CE1-CG 3.66Å; Y415-R438 HydrophobicContact CE2-CB 3.8Å; Y415-R438 HydrophobicContact CE2-CG 4.21Å; Y415-R438 HydrophobicContact CG-CG 4.42Å; R438-E440 HydrophobicContact CB-CG 3.84Å; R438-E440 WeakPolarHBondContact CD-OE1 3.28Å; R438-E440 IonicContact CZ-OE1 3.02Å; R438-E440 IonicContact NE-OE1 3.49Å; R438-E440 IonicContact NH1-OE1 2.92Å; R438-E440 PolarHBondContact NH1-OE1 2.78Å; R438-E440 IonicContact NH1-OE2 3.8Å; R438-E440 PolarHBondContact O-N 3.38Å; R438-F441 HydrophobicContact CB-CD2 3.98Å; R438-F441 HydrophobicContact CB-CE2 4.05Å; R438-F441 PolarHBondContact O-N 2.82Å
439	L	95.7	Very high	95.2	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-63.6	-21.6	178.7	-77.6	64.5	0	0	0	112.2	L369 C373 F378 Y415 L417 L426 F441 V442	L369-L439 HydrophobicContact CB-CD2 4.04Å; L369-L439 HydrophobicContact CB-CG 4.44Å; C373-L439 HydrophobicContact CB-CD2 3.92Å; F378-L439 HydrophobicContact CZ-CD2 4.06Å; Y415-L439 HydrophobicContact CE2-CB 4.5Å; Y415-L439 WeakPolarHBondContact OH-CB 3.26Å; Y415-L439 WeakPolarHBondContact OH-CD1 3.17Å; Y415-L439 PolarHBondContact OH-N 3Å; L417-L439 HydrophobicContact CD1-CB 3.76Å; L417-L439 HydrophobicContact CD2-CB 3.71Å; L417-L439 HydrophobicContact CD2-CD2 3.54Å; L417-L439 HydrophobicContact CD2-CG 4.29Å; L417-L439 HydrophobicContact CG-CB 4.38Å; L426-L439 HydrophobicContact CD1-CD1 4.49Å; L426-L439 HydrophobicContact CD2-CD1 4.06Å; L426-L439 HydrophobicContact CG-CD1 3.77Å; L426-L439 HydrophobicContact CG-CG 4.29Å; L439-F441 VanDerWaalsContact C-N 3.27Å; L439-F441 PolarHBondContact O-N 3.03Å; L439-V442 PolarHBondContact O-N 2.91Å
440	E	94.3	Very high	95.1	Very high	58 Å²	58	66 Å²	66	27%	0.271	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-61.3	-31.2	178.1	70.8	-164.8	171.5	0	0	113.4	Y415 R438 V442	Y415-E440 HydrophobicContact CD2-CB 4.24Å; Y415-E440 HydrophobicContact CD2-CG 4.37Å; Y415-E440 WeakPolarHBondContact CD2-OE2 3.49Å; Y415-E440 HydrophobicContact CE2-CB 4.16Å; Y415-E440 HydrophobicContact CE2-CG 4.4Å; R438-E440 HydrophobicContact CB-CG 3.84Å; R438-E440 WeakPolarHBondContact CD-OE1 3.28Å; R438-E440 IonicContact CZ-OE1 3.02Å; R438-E440 IonicContact NE-OE1 3.49Å; R438-E440 IonicContact NH1-OE1 2.92Å; R438-E440 PolarHBondContact NH1-OE1 2.78Å; R438-E440 IonicContact NH1-OE2 3.8Å; R438-E440 PolarHBondContact O-N 3.38Å; E440-V442 VanDerWaalsContact C-N 3.34Å; E440-V442 PolarHBondContact O-N 3.37Å
441	F	95.1	Very high	95.2	Very high	104 Å²	104	66 Å²	66	46%	0.456	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-84.6	-2	-179.1	-58.8	-66.1	0	0	0	114.3	I389 G390 R438 L439	I389-F441 HydrophobicContact CD1-CB 3.66Å; G390-F441 PolarHBondContact N-O 3.2Å; R438-F441 HydrophobicContact CB-CD2 3.98Å; R438-F441 HydrophobicContact CB-CE2 4.05Å; R438-F441 PolarHBondContact O-N 2.82Å; L439-F441 VanDerWaalsContact C-N 3.27Å; L439-F441 PolarHBondContact O-N 3.03Å
442	V	96.4	Very high	95.3	Very high	3 Å²	3	66 Å²	66	2%	0.018	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-77.4	130.9	177.8	-179.7	0	0	0	0	110.1	L369 V387 I389 L426 L439 E440	L369-V442 HydrophobicContact CD1-CB 4.06Å; L369-V442 HydrophobicContact CD1-CG1 3.84Å; L369-V442 HydrophobicContact CD1-CG2 3.85Å; V387-V442 HydrophobicContact CB-CG1 4.06Å; V387-V442 HydrophobicContact CB-CG2 4.45Å; V387-V442 HydrophobicContact CG1-CG1 4.03Å; V387-V442 HydrophobicContact CG1-CG2 4.46Å; I389-V442 HydrophobicContact CD1-CG2 4.39Å; L426-V442 HydrophobicContact CD1-CG2 4.18Å; L439-V442 PolarHBondContact O-N 2.91Å; E440-V442 VanDerWaalsContact C-N 3.34Å; E440-V442 PolarHBondContact O-N 3.37Å
443	S	95.5	Very high	95.3	Very high	11 Å²	11	64.5 Å²	64.5	8%	0.077	31%	0.313	C	S	.	.			trans	-77.3	146	176.9	163.5	0	0	0	0	112	R388 Q445	R388-S443 PolarHBondContact NH1-OG 2.7Å; R388-S443 VanDerWaalsContact O-CB 3.32Å; R388-S443 WeakPolarHBondContact O-CB 3.45Å; R388-S443 PolarHBondContact O-N 2.59Å; S443-Q445 PolarHBondContact OG-N 3.2Å
444	N	95.8	Very high	95.3	Very high	41 Å²	41	68.2 Å²	68.2	22%	0.219	33%	0.327	C	S	.	.	S	Bend	trans	-79.6	-26.9	166.7	-79	-33.3	0	0	0	113.2	R363 R366 H367	R363-N444 PolarHBondContact NH1-O 2.7Å; R366-N444 WeakPolarHBondContact CB-OD1 3.4Å; R366-N444 PolarHBondContact N-OD1 2.85Å; R366-N444 VanDerWaalsContact N-OD1 3.13Å; H367-N444 VanDerWaalsContact CD2-CG 3.49Å; H367-N444 PolarHBondContact CD2-ND2 3.03Å; H367-N444 PolarHBondContact CD2-OD1 2.89Å; H367-N444 VanDerWaalsContact CD2-OD1 3.32Å; H367-N444 PolarHBondContact N-OD1 3.34Å; H367-N444 PolarHBondContact NE2-ND2 3.2Å
445	Q	95.8	Very high	95.3	Very high	129 Å²	129	64.3 Å²	64.3	60%	0.603	31%	0.309	S	S	*	.	S	Bend	trans	-68.8	160.4	-179.3	-48.8	-47.8	90.5	0	0	112.5	R363 R388 S443	R363-Q445 PolarHBondContact NH1-O 2.88Å; R388-Q445 WeakPolarHBondContact CD-O 3.24Å; S443-Q445 PolarHBondContact OG-N 3.2Å
446	E	96.1	Very high	95.2	Very high	120 Å²	120	59.4 Å²	59.4	56%	0.561	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-74.8	162.5	176.6	-74.8	174.1	174.3	0	0	112.9	N360 R363 R388 T448	N360-E446 WeakPolarHBondContact OD1-CB 3.32Å; R363-E446 VanDerWaalsContact CZ-CG 3.41Å; R363-E446 IonicContact NH2-OE1 2.63Å; R363-E446 PolarHBondContact NH2-OE1 3.06Å; R388-E446 WeakPolarHBondContact CD-O 3.23Å; R388-E446 PolarHBondContact NE-O 3.48Å; E446-T448 PolarHBondContact O-N 3.45Å
447	F	96.2	Very high	95.1	Very high	9 Å²	9	61.3 Å²	61.3	4%	0.039	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-67	124.6	174	-58.8	-55	0	0	0	109.9	L359 N360 R363 F386 R388 V402	L359-F447 HydrophobicContact CB-CD2 4.4Å; L359-F447 HydrophobicContact CD2-CD2 4.27Å; L359-F447 HydrophobicContact CD2-CE2 4.11Å; L359-F447 HydrophobicContact CG-CD2 4.48Å; L359-F447 HydrophobicContact CG-CE2 4.18Å; N360-F447 WeakPolarHBondContact OD1-CD2 3.44Å; N360-F447 PolarHBondContact OD1-N 3.48Å; R363-F447 HydrophobicContact CB-CE2 3.82Å; R363-F447 HydrophobicContact CB-CZ 4.26Å; R363-F447 HydrophobicContact CG-CD2 4.49Å; R363-F447 HydrophobicContact CG-CE2 3.78Å; R363-F447 HydrophobicContact CG-CZ 3.8Å; F386-F447 HydrophobicContact CB-CE2 4.09Å; F386-F447 HydrophobicContact CB-CZ 3.81Å; R388-F447 HydrophobicContact CB-CD1 3.88Å; R388-F447 HydrophobicContact CB-CE1 3.65Å; R388-F447 HydrophobicContact CG-CD1 4.28Å; R388-F447 HydrophobicContact CG-CE1 4.46Å; V402-F447 HydrophobicContact CB-CD1 4.27Å; V402-F447 HydrophobicContact CB-CE1 4.11Å; V402-F447 HydrophobicContact CG1-CD1 4.31Å; V402-F447 HydrophobicContact CG1-CE1 3.88Å; V402-F447 HydrophobicContact CG1-CE2 4.47Å; V402-F447 HydrophobicContact CG1-CZ 3.99Å; V402-F447 HydrophobicContact CG2-CB 4.43Å; V402-F447 HydrophobicContact CG2-CD1 3.62Å; V402-F447 HydrophobicContact CG2-CE1 3.98Å; V402-F447 HydrophobicContact CG2-CG 4.07Å
448	T	94.8	Very high	95	Very high	63 Å²	63	60.1 Å²	60.1	39%	0.387	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-76.3	151.1	168.7	67	0	0	0	0	109.7	E446 S450 E451 F452	E446-T448 PolarHBondContact O-N 3.45Å; T448-S450 PolarHBondContact O-N 2.93Å; T448-E451 WeakPolarHBondContact CG2-OE1 3.49Å; T448-E451 WeakPolarHBondContact O-CB 3.49Å; T448-E451 PolarHBondContact O-N 3.13Å; T448-E451 VanDerWaalsContact OG1-CG 3.23Å; T448-E451 WeakPolarHBondContact OG1-CG 3.21Å; T448-E451 PolarHBondContact OG1-N 2.82Å; T448-E451 PolarHBondContact OG1-OE1 3.01Å; T448-F452 PolarHBondContact O-N 3.34Å
449	E	94.7	Very high	94.9	Very high	139 Å²	139	57.1 Å²	57.1	65%	0.65	28%	0.283	S	S	*	.	H	α-helix	trans	-53.6	-40.8	177	-173	-174.2	-173.3	0	0	111.9	E451 F452 M453	E449-E451 VanDerWaalsContact C-N 3.26Å; E449-E451 PolarHBondContact O-N 3.18Å; E449-F452 PolarHBondContact O-N 3.49Å; E449-M453 HydrophobicContact CG-CG 4.34Å; E449-M453 WeakPolarHBondContact O-CB 3.17Å; E449-M453 WeakPolarHBondContact O-CG 3.43Å; E449-M453 PolarHBondContact O-N 2.78Å
450	S	93.4	Very high	94.8	Very high	80 Å²	80	63.6 Å²	63.6	56%	0.559	31%	0.312	S	S	*	.	H	α-helix	trans	-61.6	-28.4	175.7	-63.5	0	0	0	0	114.2	T448 K454	T448-S450 PolarHBondContact O-N 2.93Å; S450-K454 WeakPolarHBondContact O-CD 3.39Å; S450-K454 VanDerWaalsContact O-CG 3.29Å; S450-K454 WeakPolarHBondContact O-CG 3.22Å
451	E	95	Very high	94.8	Very high	21 Å²	21	65.8 Å²	65.8	10%	0.098	33%	0.334	C	S	.	.	H	α-helix	trans	-82.8	-40.1	175.5	-71.1	158.9	-135.9	0	0	111.3	R388 V402 T448 E449 W455	R388-E451 WeakPolarHBondContact CD-OE2 3.48Å; R388-E451 IonicContact CZ-OE1 3.27Å; R388-E451 IonicContact CZ-OE2 3.43Å; R388-E451 IonicContact NE-OE1 3.88Å; R388-E451 PolarHBondContact NE-OE1 3.43Å; R388-E451 IonicContact NE-OE2 3.27Å; R388-E451 PolarHBondContact NE-OE2 3Å; R388-E451 IonicContact NH2-OE1 2.64Å; R388-E451 PolarHBondContact NH2-OE1 3.42Å; R388-E451 IonicContact NH2-OE2 3.1Å; V402-E451 HydrophobicContact CG2-CB 4.14Å; T448-E451 WeakPolarHBondContact CG2-OE1 3.49Å; T448-E451 WeakPolarHBondContact O-CB 3.49Å; T448-E451 PolarHBondContact O-N 3.13Å; T448-E451 VanDerWaalsContact OG1-CG 3.23Å; T448-E451 WeakPolarHBondContact OG1-CG 3.21Å; T448-E451 PolarHBondContact OG1-N 2.82Å; T448-E451 PolarHBondContact OG1-OE1 3.01Å; E449-E451 VanDerWaalsContact C-N 3.26Å; E449-E451 PolarHBondContact O-N 3.18Å; E451-W455 WeakPolarHBondContact O-CB 3.32Å; E451-W455 PolarHBondContact O-N 3.34Å
452	F	95.2	Very high	94.7	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.009	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-46.7	176.9	177.1	-99.9	0	0	0	111.7	V353 S354 P356 L359 T448 E449 K454 W455 K456	V353-F452 HydrophobicContact CG1-CE2 4.26Å; V353-F452 HydrophobicContact CG1-CZ 4.3Å; V353-F452 HydrophobicContact CG2-CE2 4.14Å; V353-F452 HydrophobicContact CG2-CZ 4.19Å; S354-F452 WeakPolarHBondContact O-CE1 3.46Å; P356-F452 HydrophobicContact CB-CB 3.95Å; P356-F452 HydrophobicContact CB-CD1 4.35Å; P356-F452 HydrophobicContact CB-CD2 4.32Å; P356-F452 HydrophobicContact CB-CG 3.97Å; L359-F452 HydrophobicContact CB-CD2 4.35Å; L359-F452 HydrophobicContact CB-CE2 4.1Å; L359-F452 HydrophobicContact CD2-CD2 3.95Å; L359-F452 HydrophobicContact CD2-CE2 4.09Å; T448-F452 PolarHBondContact O-N 3.34Å; E449-F452 PolarHBondContact O-N 3.49Å; F452-K454 PolarHBondContact O-N 3.29Å; F452-W455 AromaticContact CD2-CE3 3.98Å; F452-W455 HydrophobicContact CD2-CE3 3.98Å; F452-W455 HydrophobicContact CD2-CZ3 4.06Å; F452-W455 HydrophobicContact CE2-CE3 4.05Å; F452-W455 AromaticContact CE2-CZ3 3.66Å; F452-W455 HydrophobicContact CE2-CZ3 3.66Å; F452-W455 HydrophobicContact CZ-CZ3 4.39Å; F452-W455 PolarHBondContact O-N 3.25Å; F452-K456 HydrophobicContact CE1-CD 4.13Å; F452-K456 HydrophobicContact CZ-CD 4.48Å; F452-K456 WeakPolarHBondContact O-CB 3.45Å; F452-K456 PolarHBondContact O-N 2.91Å
453	M	94	Very high	94.5	Very high	92 Å²	92	64.7 Å²	64.7	45%	0.453	35%	0.35	S	S	.	.	H	α-helix	trans	-61.5	-43.6	177.2	-70.8	-65.6	-80.5	0	0	111.9	E449 W455 K456 E457	E449-M453 HydrophobicContact CG-CG 4.34Å; E449-M453 WeakPolarHBondContact O-CB 3.17Å; E449-M453 WeakPolarHBondContact O-CG 3.43Å; E449-M453 PolarHBondContact O-N 2.78Å; M453-W455 VanDerWaalsContact C-N 3.32Å; M453-W455 PolarHBondContact O-N 2.81Å; M453-K456 WeakPolarHBondContact O-CB 3.45Å; M453-K456 PolarHBondContact O-N 3.07Å; M453-K456 VanDerWaalsContact O-N 3.15Å; M453-E457 WeakPolarHBondContact O-CG 3.41Å; M453-E457 PolarHBondContact O-N 3.32Å
454	K	93.7	Very high	94.2	Very high	133 Å²	133	66.5 Å²	66.5	58%	0.578	36%	0.358	S	S	*	.	H	α-helix	trans	-64.8	-33.1	175.4	-74.5	174.9	-176.6	172.5	0	113.7	S450 F452 A458	S450-K454 WeakPolarHBondContact O-CD 3.39Å; S450-K454 VanDerWaalsContact O-CG 3.29Å; S450-K454 WeakPolarHBondContact O-CG 3.22Å; F452-K454 PolarHBondContact O-N 3.29Å; K454-A458 WeakPolarHBondContact O-CB 3.42Å; K454-A458 PolarHBondContact O-N 2.78Å
455	W	95.4	Very high	93.8	Very high	1 Å²	1	72.5 Å²	72.5	0%	0.004	39%	0.385	C	S	.	.	H	α-helix	trans	-70.7	-40.9	171.7	166.4	80.5	0	0	0	111.6	V353 L359 F386 V402 H430 E451 F452 M453 A458 M459 L466 P467	V353-W455 HydrophobicContact CG1-CH2 3.86Å; V353-W455 HydrophobicContact CG1-CZ3 3.9Å; L359-W455 HydrophobicContact CD1-CH2 4.15Å; L359-W455 HydrophobicContact CD2-CE3 4.2Å; L359-W455 HydrophobicContact CD2-CH2 4.13Å; L359-W455 HydrophobicContact CD2-CZ3 3.94Å; F386-W455 HydrophobicContact CD1-CZ2 4.5Å; F386-W455 AromaticContact CE1-CE2 3.99Å; F386-W455 HydrophobicContact CE1-CH2 4.34Å; F386-W455 AromaticContact CE1-CZ2 3.56Å; F386-W455 HydrophobicContact CE1-CZ2 3.56Å; F386-W455 HydrophobicContact CZ-CZ2 4Å; V402-W455 HydrophobicContact CB-CB 3.69Å; V402-W455 HydrophobicContact CB-CD2 4.31Å; V402-W455 HydrophobicContact CB-CG 3.73Å; V402-W455 HydrophobicContact CG1-CB 4.38Å; V402-W455 HydrophobicContact CG1-CD2 4.01Å; V402-W455 HydrophobicContact CG1-CG 3.91Å; V402-W455 HydrophobicContact CG2-CB 4Å; V402-W455 HydrophobicContact CG2-CG 4.41Å; H430-W455 AromaticContact ND1-CD1 3.82Å; E451-W455 WeakPolarHBondContact O-CB 3.32Å; E451-W455 PolarHBondContact O-N 3.34Å; F452-W455 AromaticContact CD2-CE3 3.98Å; F452-W455 HydrophobicContact CD2-CE3 3.98Å; F452-W455 HydrophobicContact CD2-CZ3 4.06Å; F452-W455 HydrophobicContact CE2-CE3 4.05Å; F452-W455 AromaticContact CE2-CZ3 3.66Å; F452-W455 HydrophobicContact CE2-CZ3 3.66Å; F452-W455 HydrophobicContact CZ-CZ3 4.39Å; F452-W455 PolarHBondContact O-N 3.25Å; M453-W455 VanDerWaalsContact C-N 3.32Å; M453-W455 PolarHBondContact O-N 2.81Å; W455-A458 CarbonylContact O-C 3.56Å; W455-A458 PolarHBondContact O-N 3.42Å; W455-A458 VanDerWaalsContact O-N 3.11Å; W455-M459 HydrophobicContact CD2-CG 4.11Å; W455-M459 HydrophobicContact CG-CG 4.4Å; W455-M459 HydrophobicContact CZ2-CE 4.44Å; W455-M459 HydrophobicContact CZ2-CG 3.92Å; W455-M459 HydrophobicContact CZ2-SD 4.31Å; W455-M459 VanDerWaalsContact O-CG 3.27Å; W455-M459 WeakPolarHBondContact O-CG 3.34Å; W455-M459 PolarHBondContact O-N 3.12Å; W455-L466 HydrophobicContact CH2-CD2 3.84Å; W455-L466 HydrophobicContact CZ2-CD2 4.38Å; W455-L466 HydrophobicContact CZ3-CD2 3.99Å; W455-P467 HydrophobicContact CH2-CG 4.16Å
456	K	93.6	Very high	93.6	Very high	45 Å²	45	67.2 Å²	67.2	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-44.5	174.9	-170.8	160	-179.1	159.9	0	111.5	V353 F452 M453 M459 F460 L466	V353-K456 PolarHBondContact O-NZ 3.4Å; V353-K456 VanDerWaalsContact O-NZ 3.13Å; F452-K456 HydrophobicContact CE1-CD 4.13Å; F452-K456 HydrophobicContact CZ-CD 4.48Å; F452-K456 WeakPolarHBondContact O-CB 3.45Å; F452-K456 PolarHBondContact O-N 2.91Å; M453-K456 WeakPolarHBondContact O-CB 3.45Å; M453-K456 PolarHBondContact O-N 3.07Å; M453-K456 VanDerWaalsContact O-N 3.15Å; K456-M459 PolarHBondContact O-N 2.98Å; K456-F460 HydrophobicContact CD-CE2 4.5Å; K456-F460 HydrophobicContact CG-CD2 4.05Å; K456-F460 HydrophobicContact CG-CE2 3.68Å; K456-F460 WeakPolarHBondContact O-CD2 3.47Å; K456-F460 PolarHBondContact O-N 2.98Å; K456-L466 HydrophobicContact CD-CD1 4.31Å; K456-L466 HydrophobicContact CG-CD1 4.12Å; K456-L466 HydrophobicContact CG-CD2 4.44Å
457	E	94.9	Very high	93.3	Very high	116 Å²	116	62.6 Å²	62.6	54%	0.542	34%	0.341	S	S	.	.	H	α-helix	trans	-56.1	-46.6	168.7	-72.6	167.5	-179.1	0	0	112.2	M453 F460 S461	M453-E457 WeakPolarHBondContact O-CG 3.41Å; M453-E457 PolarHBondContact O-N 3.32Å; E457-F460 PolarHBondContact O-N 3.17Å; E457-S461 VanDerWaalsContact O-CB 3.26Å; E457-S461 WeakPolarHBondContact O-CB 3.27Å; E457-S461 PolarHBondContact O-N 3.38Å; E457-S461 PolarHBondContact O-OG 2.88Å
458	A	94.5	Very high	93.1	Very high	22 Å²	22	63.7 Å²	63.7	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-68.1	-32.3	179.3	0	0	0	0	0	113.4	K454 W455 A462	K454-A458 WeakPolarHBondContact O-CB 3.42Å; K454-A458 PolarHBondContact O-N 2.78Å; W455-A458 CarbonylContact O-C 3.56Å; W455-A458 PolarHBondContact O-N 3.42Å; W455-A458 VanDerWaalsContact O-N 3.11Å; A458-A462 VanDerWaalsContact O-CB 3.24Å; A458-A462 WeakPolarHBondContact O-CB 3.38Å; A458-A462 PolarHBondContact O-N 3.38Å; A458-A462 VanDerWaalsContact O-N 3.11Å
459	M	93.1	Very high	92.9	Very high	10 Å²	10	62.9 Å²	62.9	5%	0.049	34%	0.342	C	S	.	.	H	α-helix	trans	-69.7	-47.6	174.1	-68.5	-65.7	-70.4	0	0	111	W455 K456 A462 G463 M464 Q465 L466	W455-M459 HydrophobicContact CD2-CG 4.11Å; W455-M459 HydrophobicContact CG-CG 4.4Å; W455-M459 HydrophobicContact CZ2-CE 4.44Å; W455-M459 HydrophobicContact CZ2-CG 3.92Å; W455-M459 HydrophobicContact CZ2-SD 4.31Å; W455-M459 VanDerWaalsContact O-CG 3.27Å; W455-M459 WeakPolarHBondContact O-CG 3.34Å; W455-M459 PolarHBondContact O-N 3.12Å; K456-M459 PolarHBondContact O-N 2.98Å; M459-A462 CarbonylContact O-C 3.57Å; M459-A462 PolarHBondContact O-N 3.48Å; M459-A462 VanDerWaalsContact O-N 3.16Å; M459-G463 PolarHBondContact O-N 3.34Å; M459-G463 VanDerWaalsContact O-N 3.16Å; M459-M464 HydrophobicContact CE-CB 3.74Å; M459-M464 HydrophobicContact CE-CE 4.15Å; M459-M464 PolarHBondContact O-N 3.35Å; M459-M464 HydrophobicContact SD-CB 4.44Å; M459-M464 HydrophobicContact SD-CE 3.66Å; M459-Q465 WeakPolarHBondContact CE-O 3.35Å; M459-L466 HydrophobicContact CB-CD2 3.77Å; M459-L466 HydrophobicContact CG-CD2 3.97Å
460	F	92.4	Very high	92.8	Very high	136 Å²	136	59.3 Å²	59.3	60%	0.596	33%	0.327	S	S	*	.	H	α-helix	trans	-61.9	-43.4	174.4	-76	-55.9	0	0	0	112.1	K456 E457 A462 G463 L466	K456-F460 HydrophobicContact CD-CE2 4.5Å; K456-F460 HydrophobicContact CG-CD2 4.05Å; K456-F460 HydrophobicContact CG-CE2 3.68Å; K456-F460 WeakPolarHBondContact O-CD2 3.47Å; K456-F460 PolarHBondContact O-N 2.98Å; E457-F460 PolarHBondContact O-N 3.17Å; F460-A462 PolarHBondContact O-N 2.9Å; F460-G463 PolarHBondContact O-N 2.87Å; F460-L466 HydrophobicContact CE2-CD1 4.31Å; F460-L466 HydrophobicContact CZ-CD1 4Å
461	S	94.8	Very high	92.7	Very high	104 Å²	104	60.6 Å²	60.6	73%	0.727	32%	0.324	S	S	*	.	H	α-helix	trans	-64	-23.7	176.2	-56.5	0	0	0	0	113.1	E457	E457-S461 VanDerWaalsContact O-CB 3.26Å; E457-S461 WeakPolarHBondContact O-CB 3.27Å; E457-S461 PolarHBondContact O-N 3.38Å; E457-S461 PolarHBondContact O-OG 2.88Å
462	A	94.3	Very high	92.6	Very high	22 Å²	22	59.8 Å²	59.8	18%	0.182	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.9	174.3	0	0	0	0	0	113.6	N432 A458 M459 F460 M464	N432-A462 WeakPolarHBondContact OD1-CB 3.48Å; A458-A462 VanDerWaalsContact O-CB 3.24Å; A458-A462 WeakPolarHBondContact O-CB 3.38Å; A458-A462 PolarHBondContact O-N 3.38Å; A458-A462 VanDerWaalsContact O-N 3.11Å; M459-A462 CarbonylContact O-C 3.57Å; M459-A462 PolarHBondContact O-N 3.48Å; M459-A462 VanDerWaalsContact O-N 3.16Å; F460-A462 PolarHBondContact O-N 2.9Å; A462-M464 HydrophobicContact CB-CE 3.8Å; A462-M464 HydrophobicContact CB-CG 4.12Å; A462-M464 PolarHBondContact O-N 2.89Å
463	G	91.4	Very high	92.6	Very high	62 Å²	62	62.2 Å²	62.2	64%	0.639	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	16.3	-173.3	0	0	0	0	0	114.3	M459 F460	M459-G463 PolarHBondContact O-N 3.34Å; M459-G463 VanDerWaalsContact O-N 3.16Å; F460-G463 PolarHBondContact O-N 2.87Å
464	M	88.1	Confident	92.6	Very high	49 Å²	49	64.5 Å²	64.5	24%	0.241	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-90	144.4	-178.4	-69.1	-166.6	-64.4	0	0	111.5	R429 G431 M459 A462	R429-M464 HydrophobicContact CG-CE 4.35Å; G431-M464 VanDerWaalsContact CA-CE 3.45Å; G431-M464 WeakPolarHBondContact O-CE 3.43Å; M459-M464 HydrophobicContact CE-CB 3.74Å; M459-M464 HydrophobicContact CE-CE 4.15Å; M459-M464 PolarHBondContact O-N 3.35Å; M459-M464 HydrophobicContact SD-CB 4.44Å; M459-M464 HydrophobicContact SD-CE 3.66Å; A462-M464 HydrophobicContact CB-CE 3.8Å; A462-M464 HydrophobicContact CB-CG 4.12Å; A462-M464 PolarHBondContact O-N 2.89Å
465	Q	88.8	Confident	92.6	Very high	167 Å²	167	59.9 Å²	59.9	78%	0.78	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-69.4	143.1	176.3	-58.3	-54.3	-51.3	0	0	110.8	M459	M459-Q465 WeakPolarHBondContact CE-O 3.35Å
466	L	91	Very high	92.5	Very high	18 Å²	18	61.7 Å²	61.7	9%	0.094	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-76.5	144.9	168.7	-65.5	174.3	0	0	0	109.1	P352 V353 W455 K456 M459 F460	P352-L466 HydrophobicContact CB-CB 4.01Å; P352-L466 HydrophobicContact CB-CD1 4.45Å; V353-L466 HydrophobicContact CG1-CB 4.31Å; W455-L466 HydrophobicContact CH2-CD2 3.84Å; W455-L466 HydrophobicContact CZ2-CD2 4.38Å; W455-L466 HydrophobicContact CZ3-CD2 3.99Å; K456-L466 HydrophobicContact CD-CD1 4.31Å; K456-L466 HydrophobicContact CG-CD1 4.12Å; K456-L466 HydrophobicContact CG-CD2 4.44Å; M459-L466 HydrophobicContact CB-CD2 3.77Å; M459-L466 HydrophobicContact CG-CD2 3.97Å; F460-L466 HydrophobicContact CE2-CD1 4.31Å; F460-L466 HydrophobicContact CZ-CD1 4Å
467	P	90.7	Very high	92.5	Very high	23 Å²	23	64.3 Å²	64.3	15%	0.149	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-60.9	141.5	174.9	27.8	-35.1	0	0	0	110.6	V353 L359 F386 W455 I472	V353-P467 HydrophobicContact CB-CG 4.49Å; V353-P467 HydrophobicContact CG1-CG 3.91Å; V353-P467 PolarHBondContact N-O 3.08Å; L359-P467 HydrophobicContact CD1-CG 4.23Å; F386-P467 HydrophobicContact CE2-CG 4.31Å; F386-P467 HydrophobicContact CZ-CG 4.07Å; W455-P467 HydrophobicContact CH2-CG 4.16Å; P467-I472 HydrophobicContact CB-CG1 4.46Å; P467-I472 HydrophobicContact CG-CD1 4.44Å
468	T	91.9	Very high	92.4	Very high	33 Å²	33	60.3 Å²	60.3	20%	0.202	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-74.9	155.4	174.9	60.5	0	0	0	0	111.2	D470 E471 I472	T468-D470 PolarHBondContact O-N 3.23Å; T468-E471 WeakPolarHBondContact CB-OE2 2.88Å; T468-E471 PolarHBondContact N-OE2 3.5Å; T468-E471 PolarHBondContact O-N 3.08Å; T468-E471 WeakPolarHBondContact OG1-CB 3.36Å; T468-E471 WeakPolarHBondContact OG1-CG 3.42Å; T468-E471 PolarHBondContact OG1-N 2.8Å; T468-E471 PolarHBondContact OG1-OE2 3.45Å; T468-I472 PolarHBondContact O-N 3.36Å; T468-I472 VanDerWaalsContact O-N 3.09Å
469	L	91.1	Very high	92.3	Very high	46 Å²	46	59.5 Å²	59.5	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-30.5	174.1	-169.8	62	0	0	0	112.3	Q351 E358 I472 N473	Q351-L469 PolarHBondContact O-N 3.15Å; E358-L469 HydrophobicContact CB-CD1 4.32Å; E358-L469 HydrophobicContact CG-CD1 4.09Å; L469-I472 PolarHBondContact O-N 3.4Å; L469-N473 WeakPolarHBondContact O-CB 3.32Å; L469-N473 PolarHBondContact O-N 3.03Å; L469-N473 PolarHBondContact O-ND2 2.98Å; L469-N473 VanDerWaalsContact O-ND2 3.16Å
470	D	90.7	Very high	92.1	Very high	64 Å²	64	63.5 Å²	63.5	34%	0.342	34%	0.339	S	S	.	.	H	α-helix	trans	-68.4	-42.1	175.8	-68.9	-18	0	0	0	112.7	S350 T468 I472 N473 K474	S350-D470 VanDerWaalsContact CB-CG 3.45Å; S350-D470 WeakPolarHBondContact CB-OD2 3.3Å; S350-D470 PolarHBondContact OG-OD2 3.39Å; T468-D470 PolarHBondContact O-N 3.23Å; D470-I472 VanDerWaalsContact C-N 3.31Å; D470-N473 PolarHBondContact O-N 3.37Å; D470-K474 VanDerWaalsContact O-CB 3.26Å; D470-K474 WeakPolarHBondContact O-CB 3.4Å; D470-K474 WeakPolarHBondContact O-CD 3.43Å; D470-K474 WeakPolarHBondContact O-CG 3.32Å; D470-K474 PolarHBondContact O-N 3.08Å
471	E	92.1	Very high	92	Very high	107 Å²	107	63.4 Å²	63.4	50%	0.5	34%	0.341	S	S	.	.	H	α-helix	trans	-63.7	-40.8	175.3	-72.7	160.8	141.6	0	0	110.6	T468 K475	T468-E471 WeakPolarHBondContact CB-OE2 2.88Å; T468-E471 PolarHBondContact N-OE2 3.5Å; T468-E471 PolarHBondContact O-N 3.08Å; T468-E471 WeakPolarHBondContact OG1-CB 3.36Å; T468-E471 WeakPolarHBondContact OG1-CG 3.42Å; T468-E471 PolarHBondContact OG1-N 2.8Å; T468-E471 PolarHBondContact OG1-OE2 3.45Å; E471-K475 WeakPolarHBondContact O-CB 3.45Å; E471-K475 PolarHBondContact O-N 2.9Å
472	I	93.8	Very high	91.7	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-59.7	-51.2	173.5	-71.1	175.5	0	0	0	110.7	V353 E358 L359 R361 V362 P467 T468 L469 D470 K475 E476	V353-I472 HydrophobicContact CB-CD1 3.75Å; V353-I472 HydrophobicContact CG2-CD1 3.55Å; E358-I472 VanDerWaalsContact O-CG2 3.31Å; E358-I472 WeakPolarHBondContact O-CG2 3.38Å; L359-I472 HydrophobicContact CD1-CD1 4.17Å; R361-I472 HydrophobicContact CB-CG2 4.36Å; V362-I472 HydrophobicContact CG1-CB 4.4Å; V362-I472 HydrophobicContact CG1-CG2 4Å; V362-I472 VanDerWaalsContact CG1-O 3.25Å; V362-I472 WeakPolarHBondContact CG1-O 3.36Å; V362-I472 HydrophobicContact CG2-CG1 4.3Å; V362-I472 HydrophobicContact CG2-CG2 4.37Å; P467-I472 HydrophobicContact CB-CG1 4.46Å; P467-I472 HydrophobicContact CG-CD1 4.44Å; T468-I472 PolarHBondContact O-N 3.36Å; T468-I472 VanDerWaalsContact O-N 3.09Å; L469-I472 PolarHBondContact O-N 3.4Å; D470-I472 VanDerWaalsContact C-N 3.31Å; I472-K475 PolarHBondContact O-N 3.24Å; I472-E476 WeakPolarHBondContact O-CB 3.43Å; I472-E476 PolarHBondContact O-N 3.33Å
473	N	93.8	Very high	91.1	Very high	54 Å²	54	61.7 Å²	61.7	29%	0.289	32%	0.321	S	S	.	.	H	α-helix	trans	-65	-43.7	-179.1	-67.7	-26.9	0	0	0	112.1	R361 L469 D470 K475 E476 L477	R361-N473 PolarHBondContact NH1-OD1 3.11Å; R361-N473 VanDerWaalsContact NH1-OD1 3.15Å; L469-N473 WeakPolarHBondContact O-CB 3.32Å; L469-N473 PolarHBondContact O-N 3.03Å; L469-N473 PolarHBondContact O-ND2 2.98Å; L469-N473 VanDerWaalsContact O-ND2 3.16Å; D470-N473 PolarHBondContact O-N 3.37Å; N473-K475 VanDerWaalsContact C-N 3.32Å; N473-K475 PolarHBondContact O-N 2.85Å; N473-E476 PolarHBondContact O-N 2.91Å; N473-L477 WeakPolarHBondContact O-CG 3.46Å; N473-L477 PolarHBondContact O-N 3.04Å
474	K	93.8	Very high	90.8	Very high	140 Å²	140	65.2 Å²	65.2	61%	0.609	33%	0.325	S	S	*	.	H	α-helix	trans	-61.1	-40.5	174.7	-72.7	163.4	-174.1	164.4	0	111.4	D470 L477 S478	D470-K474 VanDerWaalsContact O-CB 3.26Å; D470-K474 WeakPolarHBondContact O-CB 3.4Å; D470-K474 WeakPolarHBondContact O-CD 3.43Å; D470-K474 WeakPolarHBondContact O-CG 3.32Å; D470-K474 PolarHBondContact O-N 3.08Å; K474-L477 PolarHBondContact O-N 2.86Å; K474-S478 PolarHBondContact O-N 3.45Å; K474-S478 VanDerWaalsContact O-N 3.15Å
475	K	94.5	Very high	90.7	Very high	35 Å²	35	66.8 Å²	66.8	15%	0.152	33%	0.329	C	S	.	.	H	α-helix	trans	-71	-39	177.6	-168.8	73.2	-161.7	174.1	0	111.6	V362 K380 T381 T383 C385 E471 I472 N473 L477 S478 I479	V362-K475 HydrophobicContact CG1-CB 3.79Å; V362-K475 HydrophobicContact CG1-CG 4.02Å; K380-K475 PolarHBondContact O-NZ 3.02Å; T381-K475 WeakPolarHBondContact O-CE 3.2Å; T381-K475 PolarHBondContact O-NZ 2.81Å; T383-K475 VanDerWaalsContact O-CE 3.28Å; T383-K475 WeakPolarHBondContact O-CE 3.47Å; T383-K475 PolarHBondContact O-NZ 3.13Å; C385-K475 WeakPolarHBondContact SG-CE 3.44Å; E471-K475 WeakPolarHBondContact O-CB 3.45Å; E471-K475 PolarHBondContact O-N 2.9Å; I472-K475 PolarHBondContact O-N 3.24Å; N473-K475 VanDerWaalsContact C-N 3.32Å; N473-K475 PolarHBondContact O-N 2.85Å; K475-L477 VanDerWaalsContact C-N 3.33Å; K475-L477 PolarHBondContact O-N 3.39Å; K475-S478 PolarHBondContact O-N 2.95Å; K475-S478 PolarHBondContact O-OG 2.8Å; K475-I479 HydrophobicContact CG-CD1 4.44Å; K475-I479 WeakPolarHBondContact O-CG1 3.33Å; K475-I479 PolarHBondContact O-N 3.13Å
476	E	94	Very high	90.4	Very high	40 Å²	40	67.5 Å²	67.5	19%	0.187	33%	0.33	C	S	.	.	H	α-helix	trans	-59.8	-41.2	173.2	-165.7	-164.3	157.4	0	0	112	R361 V362 I472 N473 I479 K480	R361-E476 HydrophobicContact CB-CG 4.16Å; R361-E476 WeakPolarHBondContact CD-OE2 3.48Å; V362-E476 HydrophobicContact CG1-CB 4.44Å; I472-E476 WeakPolarHBondContact O-CB 3.43Å; I472-E476 PolarHBondContact O-N 3.33Å; N473-E476 PolarHBondContact O-N 2.91Å; E476-I479 WeakPolarHBondContact O-CB 3.48Å; E476-I479 PolarHBondContact O-N 3.19Å; E476-K480 WeakPolarHBondContact O-CG 3.35Å; E476-K480 PolarHBondContact O-N 3.43Å; E476-K480 WeakPolarHBondContact OE1-CE 3.45Å; E476-K480 IonicContact OE1-NZ 3.67Å; E476-K480 PolarHBondContact OE1-NZ 3.49Å
477	L	93.5	Very high	90	Very high	100 Å²	100	72.4 Å²	72.4	52%	0.524	35%	0.351	S	S	.	.	H	α-helix	trans	-59.6	-48	172.1	-71.1	167.5	0	0	0	111.3	N473 K474 K475 I479 K480 E481	N473-L477 WeakPolarHBondContact O-CG 3.46Å; N473-L477 PolarHBondContact O-N 3.04Å; K474-L477 PolarHBondContact O-N 2.86Å; K475-L477 VanDerWaalsContact C-N 3.33Å; K475-L477 PolarHBondContact O-N 3.39Å; L477-I479 PolarHBondContact O-N 2.75Å; L477-K480 WeakPolarHBondContact O-CB 3.42Å; L477-K480 PolarHBondContact O-N 2.85Å; L477-E481 WeakPolarHBondContact O-CG 3.15Å; L477-E481 PolarHBondContact O-N 2.79Å
478	S	92.3	Very high	89.8	Confident	32 Å²	32	75.7 Å²	75.7	22%	0.224	37%	0.367	C	S	.	.	H	α-helix	trans	-62.1	-27.5	176	78.4	0	0	0	0	114	K474 K475 A482	K474-S478 PolarHBondContact O-N 3.45Å; K474-S478 VanDerWaalsContact O-N 3.15Å; K475-S478 PolarHBondContact O-N 2.95Å; K475-S478 PolarHBondContact O-OG 2.8Å; S478-A482 VanDerWaalsContact O-CB 3.28Å; S478-A482 WeakPolarHBondContact O-CB 3.37Å; S478-A482 PolarHBondContact O-N 3.3Å; S478-A482 VanDerWaalsContact O-N 3.1Å
479	I	91.3	Very high	89.5	Confident	4 Å²	4	80.2 Å²	80.2	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-71.6	-40.6	172.8	-72.4	166.8	0	0	0	110.3	V362 L364 W372 K475 E476 L477 A482 L483	V362-I479 HydrophobicContact CB-CD1 4.36Å; V362-I479 HydrophobicContact CG1-CD1 4.36Å; L364-I479 HydrophobicContact CD2-CD1 4.31Å; W372-I479 HydrophobicContact CH2-CG2 4.04Å; K475-I479 HydrophobicContact CG-CD1 4.44Å; K475-I479 WeakPolarHBondContact O-CG1 3.33Å; K475-I479 PolarHBondContact O-N 3.13Å; E476-I479 WeakPolarHBondContact O-CB 3.48Å; E476-I479 PolarHBondContact O-N 3.19Å; L477-I479 PolarHBondContact O-N 2.75Å; I479-A482 PolarHBondContact O-N 3.03Å; I479-L483 WeakPolarHBondContact O-CG 3.32Å; I479-L483 PolarHBondContact O-N 2.94Å
480	K	90.7	Very high	89.2	Confident	95 Å²	95	85.8 Å²	85.8	41%	0.413	41%	0.414	S	S	.	.	H	α-helix	trans	-68.2	-42.3	176.4	-70.3	169.6	-177.4	168.9	0	111.8	E476 L477 A482 L483 N484	E476-K480 WeakPolarHBondContact O-CG 3.35Å; E476-K480 PolarHBondContact O-N 3.43Å; E476-K480 WeakPolarHBondContact OE1-CE 3.45Å; E476-K480 IonicContact OE1-NZ 3.67Å; E476-K480 PolarHBondContact OE1-NZ 3.49Å; L477-K480 WeakPolarHBondContact O-CB 3.42Å; L477-K480 PolarHBondContact O-N 2.85Å; K480-A482 VanDerWaalsContact C-N 3.33Å; K480-A482 PolarHBondContact O-N 3.49Å; K480-L483 WeakPolarHBondContact O-CB 3.18Å; K480-L483 PolarHBondContact O-N 2.8Å; K480-N484 PolarHBondContact O-N 3.46Å
481	E	89.9	Confident	89	Confident	133 Å²	133	83.7 Å²	83.7	62%	0.621	40%	0.404	S	S	*	.	H	α-helix	trans	-57.9	-44.5	171.7	-70.3	170.1	177.6	0	0	111.5	L477 L483 N484 Y485	L477-E481 WeakPolarHBondContact O-CG 3.15Å; L477-E481 PolarHBondContact O-N 2.79Å; E481-L483 VanDerWaalsContact C-N 3.3Å; E481-L483 PolarHBondContact O-N 2.96Å; E481-N484 CarbonylContact O-C 3.44Å; E481-N484 PolarHBondContact O-N 3.47Å; E481-N484 VanDerWaalsContact O-N 3.17Å; E481-Y485 PolarHBondContact O-N 2.83Å
482	A	87.3	Confident	88.7	Confident	9 Å²	9	82.4 Å²	82.4	7%	0.074	40%	0.399	C	S	.	.	H	α-helix	trans	-71	-18.5	177.5	0	0	0	0	0	114.6	W372 F377 T381 S478 I479 K480	W372-A482 HydrophobicContact CH2-CB 4.05Å; W372-A482 HydrophobicContact CZ2-CB 3.79Å; W372-A482 PolarHBondContact NE1-O 3.34Å; F377-A482 HydrophobicContact CE2-CB 4.04Å; T381-A482 HydrophobicContact CG2-CB 3.51Å; S478-A482 VanDerWaalsContact O-CB 3.28Å; S478-A482 WeakPolarHBondContact O-CB 3.37Å; S478-A482 PolarHBondContact O-N 3.3Å; S478-A482 VanDerWaalsContact O-N 3.1Å; I479-A482 PolarHBondContact O-N 3.03Å; K480-A482 VanDerWaalsContact C-N 3.33Å; K480-A482 PolarHBondContact O-N 3.49Å
483	L	82.5	Confident	88.3	Confident	82 Å²	82	87.2 Å²	87.2	43%	0.429	42%	0.422	S	S	.	.	H	α-helix	trans	-77.9	-37.1	168	-73.2	171.9	0	0	0	111.5	W372 I479 K480 E481 Y485	W372-L483 HydrophobicContact CZ2-CD2 3.68Å; W372-L483 HydrophobicContact CZ2-CG 3.82Å; I479-L483 WeakPolarHBondContact O-CG 3.32Å; I479-L483 PolarHBondContact O-N 2.94Å; K480-L483 WeakPolarHBondContact O-CB 3.18Å; K480-L483 PolarHBondContact O-N 2.8Å; E481-L483 VanDerWaalsContact C-N 3.3Å; E481-L483 PolarHBondContact O-N 2.96Å; L483-Y485 VanDerWaalsContact C-N 3.33Å
484	N	85.7	Confident	87.9	Confident	135 Å²	135	89.6 Å²	89.6	72%	0.722	43%	0.431	S	S	*	.	S	Bend	trans	-92.7	12.5	-177.3	-66	-10.5	0	0	0	113.4	K480 E481 K486	K480-N484 PolarHBondContact O-N 3.46Å; E481-N484 CarbonylContact O-C 3.44Å; E481-N484 PolarHBondContact O-N 3.47Å; E481-N484 VanDerWaalsContact O-N 3.17Å; N484-K486 PolarHBondContact O-N 2.76Å
485	Y	85.5	Confident	87.6	Confident	82 Å²	82	83.5 Å²	83.5	32%	0.322	41%	0.405	S	S	.	.			trans	-64.4	122.4	-174.9	-172.3	-89.9	0	0	0	111.7	M375 F377 E481 L483 F487 N488 D491	M375-Y485 HydrophobicContact CE-CD1 4.46Å; F377-Y485 HydrophobicContact CD1-CD2 4.41Å; F377-Y485 HydrophobicContact CD1-CE1 4.42Å; F377-Y485 HydrophobicContact CD1-CE2 4.25Å; F377-Y485 AromaticContact CE1-CD1 3.47Å; F377-Y485 HydrophobicContact CE1-CD1 3.47Å; F377-Y485 VanDerWaalsContact CE1-CD1 3.47Å; F377-Y485 AromaticContact CE1-CD2 3.73Å; F377-Y485 HydrophobicContact CE1-CD2 3.73Å; F377-Y485 AromaticContact CE1-CE1 3.63Å; F377-Y485 HydrophobicContact CE1-CE1 3.63Å; F377-Y485 AromaticContact CE1-CE2 3.88Å; F377-Y485 HydrophobicContact CE1-CE2 3.88Å; F377-Y485 AromaticContact CE1-CG 3.51Å; F377-Y485 HydrophobicContact CE1-CG 3.51Å; F377-Y485 AromaticContact CE1-CZ 3.84Å; F377-Y485 AromaticContact CZ-CD1 3.89Å; F377-Y485 HydrophobicContact CZ-CD1 3.89Å; F377-Y485 HydrophobicContact CZ-CD2 4.04Å; F377-Y485 HydrophobicContact CZ-CE1 4.48Å; F377-Y485 AromaticContact CZ-CG 3.62Å; F377-Y485 HydrophobicContact CZ-CG 3.62Å; E481-Y485 PolarHBondContact O-N 2.83Å; L483-Y485 VanDerWaalsContact C-N 3.33Å; Y485-F487 PolarHBondContact O-N 2.94Å; Y485-N488 PolarHBondContact OH-ND2 2.91Å; Y485-D491 PolarHBondContact OH-OD2 3.1Å
486	K	82	Confident	87.1	Confident	183 Å²	183	85 Å²	85	80%	0.796	42%	0.417	S	S	*	.			trans	-81.7	108.7	173.1	-65.5	-176.1	-179.8	-178.9	0	109.1	N484 N488	N484-K486 PolarHBondContact O-N 2.76Å; K486-N488 PolarHBondContact O-N 3.03Å
487	F	83.9	Confident	86.6	Confident	121 Å²	121	88.9 Å²	88.9	53%	0.531	43%	0.433	S	S	.	.			trans	-57	131.1	176.3	-51.1	-99.1	0	0	0	111.3	M375 Y485 I492 I495	M375-F487 HydrophobicContact CE-CD1 3.83Å; M375-F487 HydrophobicContact CE-CE1 3.44Å; M375-F487 VanDerWaalsContact CE-CE1 3.44Å; M375-F487 HydrophobicContact CE-CZ 4.33Å; M375-F487 HydrophobicContact SD-CD1 4.48Å; M375-F487 HydrophobicContact SD-CE1 3.75Å; Y485-F487 PolarHBondContact O-N 2.94Å; F487-I492 HydrophobicContact CB-CD1 4.1Å; F487-I492 HydrophobicContact CB-CG1 3.87Å; F487-I495 HydrophobicContact CD1-CD1 3.74Å; F487-I495 HydrophobicContact CE1-CD1 3.92Å
488	N	86.4	Confident	86.1	Confident	91 Å²	91	84.8 Å²	84.8	49%	0.487	41%	0.411	S	S	.	.			trans	-89.7	160.2	164.6	-50.7	-85.5	0	0	0	109.3	Y485 K486 Q490 D491 I492	Y485-N488 PolarHBondContact OH-ND2 2.91Å; K486-N488 PolarHBondContact O-N 3.03Å; N488-Q490 PolarHBondContact O-N 2.94Å; N488-Q490 VanDerWaalsContact O-N 3.16Å; N488-D491 VanDerWaalsContact CB-OD2 3.25Å; N488-D491 WeakPolarHBondContact CB-OD2 3.48Å; N488-D491 PolarHBondContact N-OD2 3.5Å; N488-D491 PolarHBondContact ND2-OD2 3Å; N488-D491 WeakPolarHBondContact O-CB 3.38Å; N488-D491 PolarHBondContact O-N 3Å; N488-I492 WeakPolarHBondContact O-CG1 3.35Å; N488-I492 PolarHBondContact O-N 3.38Å
489	D	84.2	Confident	85.7	Confident	129 Å²	129	87.1 Å²	87.1	69%	0.69	42%	0.417	S	S	*	.	H	α-helix	trans	-57	-34.6	179	-59.9	-43.5	0	0	0	112.5	I492 E493	D489-I492 PolarHBondContact O-N 2.99Å; D489-E493 PolarHBondContact O-N 2.99Å
490	Q	86.2	Confident	85.2	Confident	162 Å²	162	91.5 Å²	91.5	76%	0.757	44%	0.438	S	S	*	.	H	α-helix	trans	-66.1	-38.9	175.1	-64.2	-177.6	1.2	0	0	112.8	N488 I492 E493 E494	N488-Q490 PolarHBondContact O-N 2.94Å; N488-Q490 VanDerWaalsContact O-N 3.16Å; Q490-I492 VanDerWaalsContact C-N 3.34Å; Q490-E493 PolarHBondContact O-N 2.77Å; Q490-E494 PolarHBondContact O-N 2.85Å
491	D	86.8	Confident	84.8	Confident	21 Å²	21	94.7 Å²	94.7	11%	0.112	45%	0.447	C	S	.	.	H	α-helix	trans	-66	-41	174.1	-55.4	-64.7	0	0	0	110.2	P376 Y485 N488 E493 E494 I495	P376-D491 HydrophobicContact CG-CB 4.3Å; P376-D491 WeakPolarHBondContact CG-OD1 3.48Å; Y485-D491 PolarHBondContact OH-OD2 3.1Å; N488-D491 VanDerWaalsContact CB-OD2 3.25Å; N488-D491 WeakPolarHBondContact CB-OD2 3.48Å; N488-D491 PolarHBondContact N-OD2 3.5Å; N488-D491 PolarHBondContact ND2-OD2 3Å; N488-D491 WeakPolarHBondContact O-CB 3.38Å; N488-D491 PolarHBondContact O-N 3Å; D491-E493 VanDerWaalsContact C-N 3.35Å; D491-E494 PolarHBondContact O-N 3.05Å; D491-I495 HydrophobicContact CB-CD1 4.38Å; D491-I495 VanDerWaalsContact O-CB 3.29Å; D491-I495 WeakPolarHBondContact O-CB 3.34Å; D491-I495 VanDerWaalsContact O-CD1 3.25Å; D491-I495 WeakPolarHBondContact O-CD1 3.34Å; D491-I495 WeakPolarHBondContact O-CG1 3.22Å; D491-I495 PolarHBondContact O-N 2.96Å
492	I	85	Confident	84.1	Confident	79 Å²	79	89.2 Å²	89.2	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-62.4	-44.1	178	-63.3	170.1	0	0	0	110	F487 N488 D489 Q490 I495 V496	F487-I492 HydrophobicContact CB-CD1 4.1Å; F487-I492 HydrophobicContact CB-CG1 3.87Å; N488-I492 WeakPolarHBondContact O-CG1 3.35Å; N488-I492 PolarHBondContact O-N 3.38Å; D489-I492 PolarHBondContact O-N 2.99Å; Q490-I492 VanDerWaalsContact C-N 3.34Å; I492-I495 PolarHBondContact O-N 3.4Å; I492-V496 WeakPolarHBondContact O-CB 3.17Å; I492-V496 VanDerWaalsContact O-CG2 3.28Å; I492-V496 WeakPolarHBondContact O-CG2 3.47Å; I492-V496 PolarHBondContact O-N 3.5Å
493	E	85.8	Confident	83.4	Confident	105 Å²	105	95.1 Å²	95.1	49%	0.491	44%	0.442	S	S	.	.	H	α-helix	trans	-57.7	-46.7	172.6	-86.5	-167	-132.8	0	0	112.6	D489 Q490 D491 V496 K497	D489-E493 PolarHBondContact O-N 2.99Å; Q490-E493 PolarHBondContact O-N 2.77Å; D491-E493 VanDerWaalsContact C-N 3.35Å; E493-V496 PolarHBondContact O-N 2.96Å; E493-K497 WeakPolarHBondContact O-CB 3.23Å; E493-K497 VanDerWaalsContact O-CD 3.31Å; E493-K497 WeakPolarHBondContact O-CD 3.46Å; E493-K497 WeakPolarHBondContact O-CG 3.47Å; E493-K497 PolarHBondContact O-N 3.17Å; E493-K497 WeakPolarHBondContact OE2-CE 3.35Å; E493-K497 IonicContact OE2-NZ 2.67Å; E493-K497 PolarHBondContact OE2-NZ 3.04Å
494	E	85.7	Confident	82.8	Confident	104 Å²	104	99.3 Å²	99.3	49%	0.486	46%	0.456	S	S	.	.	H	α-helix	trans	-66.5	-43.2	179.1	-167.5	172.2	164.4	0	0	111.7	Q490 D491 V496 K497 E498	Q490-E494 PolarHBondContact O-N 2.85Å; D491-E494 PolarHBondContact O-N 3.05Å; E494-V496 VanDerWaalsContact C-N 3.27Å; E494-V496 PolarHBondContact O-N 2.83Å; E494-K497 PolarHBondContact O-N 3.36Å; E494-E498 WeakPolarHBondContact O-CB 3.34Å; E494-E498 PolarHBondContact O-N 2.66Å
495	I	85.8	Confident	81.9	Confident	12 Å²	12	94.9 Å²	94.9	6%	0.062	44%	0.439	C	S	.	.	H	α-helix	trans	-58.1	-38.5	173.8	-71.1	160.5	0	0	0	111.3	H374 M375 F487 D491 I492 K499	H374-I495 HydrophobicContact CB-CG2 4.45Å; H374-I495 VanDerWaalsContact O-CG1 3.28Å; H374-I495 WeakPolarHBondContact O-CG1 3.47Å; M375-I495 HydrophobicContact CE-CD1 3.97Å; M375-I495 HydrophobicContact SD-CD1 3.53Å; M375-I495 VanDerWaalsContact SD-CD1 3.53Å; M375-I495 HydrophobicContact SD-CG1 4.08Å; F487-I495 HydrophobicContact CD1-CD1 3.74Å; F487-I495 HydrophobicContact CE1-CD1 3.92Å; D491-I495 HydrophobicContact CB-CD1 4.38Å; D491-I495 VanDerWaalsContact O-CB 3.29Å; D491-I495 WeakPolarHBondContact O-CB 3.34Å; D491-I495 VanDerWaalsContact O-CD1 3.25Å; D491-I495 WeakPolarHBondContact O-CD1 3.34Å; D491-I495 WeakPolarHBondContact O-CG1 3.22Å; D491-I495 PolarHBondContact O-N 2.96Å; I492-I495 PolarHBondContact O-N 3.4Å; I495-K499 HydrophobicContact CG2-CD 3.96Å; I495-K499 WeakPolarHBondContact O-CB 3.34Å; I495-K499 WeakPolarHBondContact O-CD 3.35Å; I495-K499 WeakPolarHBondContact O-CG 3.48Å; I495-K499 PolarHBondContact O-N 2.8Å; I495-K499 VanDerWaalsContact O-N 3.14Å
496	V	83.8	Confident	81.4	Confident	67 Å²	67	92.1 Å²	92.1	41%	0.406	43%	0.431	S	S	.	.	H	α-helix	trans	-70.5	-50.9	175.9	168.1	0	0	0	0	110.5	I492 E493 E494 E498 K499 E500	I492-V496 WeakPolarHBondContact O-CB 3.17Å; I492-V496 VanDerWaalsContact O-CG2 3.28Å; I492-V496 WeakPolarHBondContact O-CG2 3.47Å; I492-V496 PolarHBondContact O-N 3.5Å; E493-V496 PolarHBondContact O-N 2.96Å; E494-V496 VanDerWaalsContact C-N 3.27Å; E494-V496 PolarHBondContact O-N 2.83Å; V496-E498 VanDerWaalsContact C-N 3.25Å; V496-E498 PolarHBondContact O-N 3.24Å; V496-K499 PolarHBondContact O-N 3.31Å; V496-K499 VanDerWaalsContact O-N 3.14Å; V496-E500 HydrophobicContact CG1-CG 4.26Å; V496-E500 WeakPolarHBondContact O-CB 3.42Å; V496-E500 WeakPolarHBondContact O-CG 3.32Å; V496-E500 PolarHBondContact O-N 3.1Å
497	K	84.1	Confident	80.7	Confident	121 Å²	121	88.1 Å²	88.1	53%	0.526	42%	0.424	S	S	.	.	H	α-helix	trans	-55.3	-41.4	178.5	-69.7	159.4	-166.6	170.4	0	111.5	E493 E494 E500 R501	E493-K497 WeakPolarHBondContact O-CB 3.23Å; E493-K497 VanDerWaalsContact O-CD 3.31Å; E493-K497 WeakPolarHBondContact O-CD 3.46Å; E493-K497 WeakPolarHBondContact O-CG 3.47Å; E493-K497 PolarHBondContact O-N 3.17Å; E493-K497 WeakPolarHBondContact OE2-CE 3.35Å; E493-K497 IonicContact OE2-NZ 2.67Å; E493-K497 PolarHBondContact OE2-NZ 3.04Å; E494-K497 PolarHBondContact O-N 3.36Å; K497-E500 PolarHBondContact O-N 3.35Å; K497-R501 PolarHBondContact O-N 2.88Å
498	E	83.6	Confident	80.5	Confident	14 Å²	14	86.1 Å²	86.1	7%	0.065	42%	0.419	C	S	.	.	H	α-helix	trans	-70.5	-40.6	178.5	-162.8	70.3	162.1	0	0	112.9	K424 E494 V496 E500 R501 F502	K424-E498 WeakPolarHBondContact CE-OE1 3.42Å; K424-E498 IonicContact NZ-OE1 2.82Å; K424-E498 PolarHBondContact NZ-OE1 3.27Å; E494-E498 WeakPolarHBondContact O-CB 3.34Å; E494-E498 PolarHBondContact O-N 2.66Å; V496-E498 VanDerWaalsContact C-N 3.25Å; V496-E498 PolarHBondContact O-N 3.24Å; E498-E500 VanDerWaalsContact C-N 3.34Å; E498-E500 PolarHBondContact O-N 3.34Å; E498-R501 WeakPolarHBondContact O-CB 3.14Å; E498-R501 PolarHBondContact O-N 3.2Å; E498-R501 IonicContact OE1-NH2 3.28Å; E498-R501 IonicContact OE2-CZ 2.68Å; E498-R501 IonicContact OE2-NE 3.68Å; E498-R501 PolarHBondContact OE2-NE 3.14Å; E498-R501 IonicContact OE2-NH2 2.63Å; E498-R501 PolarHBondContact OE2-NH2 3.45Å; E498-F502 HydrophobicContact CG-CE2 4.18Å; E498-F502 WeakPolarHBondContact O-CD2 3.19Å; E498-F502 VanDerWaalsContact O-CE2 3.3Å; E498-F502 WeakPolarHBondContact O-CE2 3.37Å
499	K	84.4	Confident	80.2	Confident	80 Å²	80	84.1 Å²	84.1	35%	0.348	41%	0.405	S	S	.	.	H	α-helix	trans	-66.7	-34.5	173.7	-74.6	168.7	-176.4	166.9	0	112.6	H374 I495 V496 R503	H374-K499 HydrophobicContact CB-CG 4.24Å; I495-K499 HydrophobicContact CG2-CD 3.96Å; I495-K499 WeakPolarHBondContact O-CB 3.34Å; I495-K499 WeakPolarHBondContact O-CD 3.35Å; I495-K499 WeakPolarHBondContact O-CG 3.48Å; I495-K499 PolarHBondContact O-N 2.8Å; I495-K499 VanDerWaalsContact O-N 3.14Å; V496-K499 PolarHBondContact O-N 3.31Å; V496-K499 VanDerWaalsContact O-N 3.14Å; K499-R503 WeakPolarHBondContact O-CD 3.45Å; K499-R503 WeakPolarHBondContact O-CG 3.28Å
500	E	80.3	Confident	80.3	Confident	97 Å²	97	81 Å²	81	45%	0.453	40%	0.397	S	S	.	.	H	α-helix	trans	-72.6	-34.2	176.5	-71.3	-164.8	156.3	0	0	112.4	V496 K497 E498 F502 R503	V496-E500 HydrophobicContact CG1-CG 4.26Å; V496-E500 WeakPolarHBondContact O-CB 3.42Å; V496-E500 WeakPolarHBondContact O-CG 3.32Å; V496-E500 PolarHBondContact O-N 3.1Å; K497-E500 PolarHBondContact O-N 3.35Å; E498-E500 VanDerWaalsContact C-N 3.34Å; E498-E500 PolarHBondContact O-N 3.34Å; E500-F502 PolarHBondContact O-N 2.9Å; E500-R503 PolarHBondContact O-N 2.88Å
501	R	81.2	Confident	80.2	Confident	161 Å²	161	79.1 Å²	79.1	61%	0.608	39%	0.389	S	S	*	.	H	α-helix	trans	-50.1	-30.1	174.3	-158.1	-164	-63.6	-130.2	4.3	113.5	K497 E498	K497-R501 PolarHBondContact O-N 2.88Å; E498-R501 WeakPolarHBondContact O-CB 3.14Å; E498-R501 PolarHBondContact O-N 3.2Å; E498-R501 IonicContact OE1-NH2 3.28Å; E498-R501 IonicContact OE2-CZ 2.68Å; E498-R501 IonicContact OE2-NE 3.68Å; E498-R501 PolarHBondContact OE2-NE 3.14Å; E498-R501 IonicContact OE2-NH2 2.63Å; E498-R501 PolarHBondContact OE2-NH2 3.45Å
502	F	76	Confident	80	Confident	18 Å²	18	81.5 Å²	81.5	8%	0.079	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	2.7	-179.8	-49.6	-59.8	0	0	0	114.8	H374 V414 R421 N423 E498 E500	H374-F502 AromaticContact CE1-CD2 3.89Å; H374-F502 AromaticContact CE1-CE2 3.94Å; V414-F502 HydrophobicContact CB-CD1 4.38Å; V414-F502 HydrophobicContact CG1-CB 4.27Å; V414-F502 HydrophobicContact CG1-CD1 3.68Å; V414-F502 HydrophobicContact CG1-CE1 4.41Å; V414-F502 HydrophobicContact CG1-CG 4.19Å; V414-F502 HydrophobicContact CG2-CD1 3.7Å; V414-F502 HydrophobicContact CG2-CE1 3.99Å; R421-F502 HydrophobicContact CB-CB 3.77Å; R421-F502 HydrophobicContact CB-CG 4.42Å; R421-F502 WeakPolarHBondContact O-CD2 3.34Å; N423-F502 HydrophobicContact CB-CE1 3.88Å; N423-F502 HydrophobicContact CB-CZ 4.2Å; N423-F502 WeakPolarHBondContact OD1-CZ 3.3Å; E498-F502 HydrophobicContact CG-CE2 4.18Å; E498-F502 WeakPolarHBondContact O-CD2 3.19Å; E498-F502 VanDerWaalsContact O-CE2 3.3Å; E498-F502 WeakPolarHBondContact O-CE2 3.37Å; E500-F502 PolarHBondContact O-N 2.9Å
503	R	73.5	Confident	80.3	Confident	133 Å²	133	81.8 Å²	81.8	50%	0.502	40%	0.397	S	S	.	.			trans	-108.8	100.5	-177.3	-74.6	175.4	172.1	-164.3	-5.5	111.2	K499 E500 A505	K499-R503 WeakPolarHBondContact O-CD 3.45Å; K499-R503 WeakPolarHBondContact O-CG 3.28Å; E500-R503 PolarHBondContact O-N 2.88Å; R503-A505 PolarHBondContact O-N 3.02Å
504	K	68.6	Low	80.5	Confident	170 Å²	170	80.6 Å²	80.6	74%	0.739	40%	0.397	S	S	*	.	S	Bend	trans	-56.7	-12.3	172.2	-71.3	-171.3	178	-177.8	0	114.2	E103	E103-K504 IonicContact OE2-NZ 2.65Å
505	A	68.2	Low	80.7	Confident	43 Å²	43	80.5 Å²	80.5	36%	0.355	40%	0.397	S	S	.	.	S	Bend	trans	-144.1	142.5	-177.2	0	0	0	0	0	111.2	R503	R503-A505 PolarHBondContact O-N 3.02Å
506	P	74.3	Confident	81	Confident	23 Å²	23	80 Å²	80	15%	0.149	39%	0.394	C	S	.	.			trans	-63.6	144.1	173.4	-19.3	32.2	0	0	0	111.6	N508 Y509 K512 L542	P506-N508 VanDerWaalsContact C-N 3.26Å; P506-N508 PolarHBondContact O-N 2.77Å; P506-Y509 HydrophobicContact CG-CE1 4.49Å; P506-K512 HydrophobicContact CB-CB 4.25Å; P506-K512 HydrophobicContact CB-CD 4.15Å; P506-K512 HydrophobicContact CG-CB 4.4Å; P506-K512 HydrophobicContact CG-CD 3.65Å; P506-L542 HydrophobicContact CG-CD2 3.75Å
507	P	67.2	Low	81.3	Confident	99 Å²	99	80.6 Å²	80.6	64%	0.643	39%	0.394	S	S	*	.	S	Bend	trans	-69.5	-25.2	176.4	29.5	-35.2	0	0	0	112.6
508	N	78.9	Confident	81.8	Confident	80 Å²	80	81.4 Å²	81.4	43%	0.428	40%	0.398	S	S	.	.			trans	-140.8	104.8	176.6	-176.6	-21.3	0	0	0	109.6	P506 A510 M511 K512	P506-N508 VanDerWaalsContact C-N 3.26Å; P506-N508 PolarHBondContact O-N 2.77Å; N508-A510 VanDerWaalsContact C-N 3.3Å; N508-A510 PolarHBondContact O-N 3.31Å; N508-A510 WeakPolarHBondContact OD1-CB 3.41Å; N508-A510 PolarHBondContact OD1-N 2.85Å; N508-M511 HydrophobicContact CB-CB 4.12Å; N508-M511 HydrophobicContact CB-CG 4.26Å; N508-M511 WeakPolarHBondContact ND2-CG 3.44Å; N508-M511 PolarHBondContact O-N 3.49Å; N508-M511 PolarHBondContact OD1-N 3.06Å; N508-M511 VanDerWaalsContact OD1-N 3.12Å; N508-K512 PolarHBondContact O-N 3.45Å; N508-K512 VanDerWaalsContact O-N 3.17Å
509	Y	81.7	Confident	82.2	Confident	49 Å²	49	84 Å²	84	19%	0.192	41%	0.41	C	S	.	.	H	α-helix	trans	-62.5	-34.4	179	-75	-93.6	0	0	0	112.7	P506 K512 K513 L542 R545 A546 L549	P506-Y509 HydrophobicContact CG-CE1 4.49Å; Y509-K512 PolarHBondContact O-N 2.82Å; Y509-K513 VanDerWaalsContact O-CB 3.23Å; Y509-K513 WeakPolarHBondContact O-CB 3.1Å; Y509-K513 PolarHBondContact O-N 3.46Å; Y509-L542 HydrophobicContact CD1-CD2 4.4Å; Y509-L542 HydrophobicContact CE1-CD2 4.32Å; Y509-R545 HydrophobicContact CE1-CB 4.33Å; Y509-R545 HydrophobicContact CE1-CG 4.15Å; Y509-R545 WeakPolarHBondContact OH-CD 3.46Å; Y509-A546 HydrophobicContact CD1-CB 3.85Å; Y509-A546 HydrophobicContact CE1-CB 4.36Å; Y509-A546 HydrophobicContact CG-CB 4.19Å; Y509-L549 HydrophobicContact CE2-CD1 3.82Å; Y509-L549 VanDerWaalsContact OH-CD1 3.26Å; Y509-L549 WeakPolarHBondContact OH-CD1 3.46Å
510	A	84.6	Confident	82.6	Confident	64 Å²	64	82.1 Å²	82.1	53%	0.529	40%	0.402	S	S	.	.	H	α-helix	trans	-67.2	-43.4	178.7	0	0	0	0	0	111.4	N508 K513 T514	N508-A510 VanDerWaalsContact C-N 3.3Å; N508-A510 PolarHBondContact O-N 3.31Å; N508-A510 WeakPolarHBondContact OD1-CB 3.41Å; N508-A510 PolarHBondContact OD1-N 2.85Å; A510-K513 PolarHBondContact O-N 3.11Å; A510-T514 PolarHBondContact O-N 2.87Å; A510-T514 PolarHBondContact O-OG1 3.19Å
511	M	84.4	Confident	83.2	Confident	122 Å²	122	79.4 Å²	79.4	60%	0.601	40%	0.396	S	S	*	.	H	α-helix	trans	-64	-42.7	175.9	-76.6	-63.8	-61.9	0	0	112.5	N508 T514 Q515	N508-M511 HydrophobicContact CB-CB 4.12Å; N508-M511 HydrophobicContact CB-CG 4.26Å; N508-M511 WeakPolarHBondContact ND2-CG 3.44Å; N508-M511 PolarHBondContact O-N 3.49Å; N508-M511 PolarHBondContact OD1-N 3.06Å; N508-M511 VanDerWaalsContact OD1-N 3.12Å; M511-T514 PolarHBondContact O-N 3.46Å; M511-T514 PolarHBondContact O-OG1 3.27Å; M511-Q515 WeakPolarHBondContact O-CB 3.47Å; M511-Q515 PolarHBondContact O-N 2.9Å
512	K	83.8	Confident	83.8	Confident	70 Å²	70	75.8 Å²	75.8	30%	0.304	39%	0.387	S	S	.	.	H	α-helix	trans	-69.8	-34.8	176.6	-163.5	173.6	177.1	176.4	0	111.7	P506 N508 Y509 Q515 L516 L542	P506-K512 HydrophobicContact CB-CB 4.25Å; P506-K512 HydrophobicContact CB-CD 4.15Å; P506-K512 HydrophobicContact CG-CB 4.4Å; P506-K512 HydrophobicContact CG-CD 3.65Å; N508-K512 PolarHBondContact O-N 3.45Å; N508-K512 VanDerWaalsContact O-N 3.17Å; Y509-K512 PolarHBondContact O-N 2.82Å; K512-Q515 PolarHBondContact O-N 2.71Å; K512-L516 HydrophobicContact CG-CG 4.48Å; K512-L516 WeakPolarHBondContact O-CG 3.3Å; K512-L516 PolarHBondContact O-N 2.99Å; K512-L542 HydrophobicContact CB-CD1 3.96Å; K512-L542 HydrophobicContact CD-CD1 3.64Å; K512-L542 HydrophobicContact CD-CD2 4.39Å; K512-L542 HydrophobicContact CG-CD1 3.59Å
513	K	89.9	Confident	84.5	Confident	85 Å²	85	75.3 Å²	75.3	37%	0.37	39%	0.386	S	S	.	.	H	α-helix	trans	-62.5	-43.9	171.1	176.5	170.5	168.9	171.1	0	112	Y509 A510 Q515 L516 L517 E543	Y509-K513 VanDerWaalsContact O-CB 3.23Å; Y509-K513 WeakPolarHBondContact O-CB 3.1Å; Y509-K513 PolarHBondContact O-N 3.46Å; A510-K513 PolarHBondContact O-N 3.11Å; K513-Q515 VanDerWaalsContact C-N 3.34Å; K513-L516 PolarHBondContact O-N 3.38Å; K513-L517 HydrophobicContact CG-CD1 3.91Å; K513-L517 HydrophobicContact CG-CG 4.43Å; K513-L517 VanDerWaalsContact O-CB 3.32Å; K513-L517 WeakPolarHBondContact O-CB 3.36Å; K513-L517 VanDerWaalsContact O-CG 3.24Å; K513-L517 WeakPolarHBondContact O-CG 3.17Å; K513-L517 PolarHBondContact O-N 2.75Å; K513-E543 HydrophobicContact CD-CG 4.45Å; K513-E543 WeakPolarHBondContact CE-OE1 3.27Å; K513-E543 IonicContact NZ-OE1 2.77Å; K513-E543 PolarHBondContact NZ-OE1 2.95Å
514	T	89.9	Confident	85.4	Confident	81 Å²	81	73.1 Å²	73.1	50%	0.497	38%	0.382	S	S	.	.	H	α-helix	trans	-68.6	-32.2	176.1	53.1	0	0	0	0	112.6	A510 M511 K518	A510-T514 PolarHBondContact O-N 2.87Å; A510-T514 PolarHBondContact O-OG1 3.19Å; M511-T514 PolarHBondContact O-N 3.46Å; M511-T514 PolarHBondContact O-OG1 3.27Å; T514-K518 WeakPolarHBondContact O-CB 3.45Å; T514-K518 PolarHBondContact O-N 2.82Å; T514-K518 VanDerWaalsContact O-N 3.1Å
515	Q	90.5	Very high	86.5	Confident	101 Å²	101	71.7 Å²	71.7	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-63.7	-54.8	171.1	179.4	175.8	-3.9	0	0	111.5	M511 K512 K513 L517 K518 E519	M511-Q515 WeakPolarHBondContact O-CB 3.47Å; M511-Q515 PolarHBondContact O-N 2.9Å; K512-Q515 PolarHBondContact O-N 2.71Å; K513-Q515 VanDerWaalsContact C-N 3.34Å; Q515-L517 VanDerWaalsContact C-N 3.31Å; Q515-L517 PolarHBondContact O-N 3.02Å; Q515-K518 WeakPolarHBondContact O-CB 3.44Å; Q515-K518 PolarHBondContact O-N 3.19Å; Q515-E519 HydrophobicContact CG-CG 4.39Å; Q515-E519 WeakPolarHBondContact CG-OE1 3.44Å; Q515-E519 PolarHBondContact NE2-OE1 3.4Å; Q515-E519 WeakPolarHBondContact O-CG 3.12Å; Q515-E519 PolarHBondContact O-N 3.33Å
516	L	91.5	Very high	87.7	Confident	3 Å²	3	76 Å²	76	2%	0.016	40%	0.398	C	S	.	.	H	α-helix	trans	-62.4	-36.1	178.9	-65.3	-172.6	0	0	0	112.2	K512 K513 K518 E519 K520 I535 Q538 L539 L542	K512-L516 HydrophobicContact CG-CG 4.48Å; K512-L516 WeakPolarHBondContact O-CG 3.3Å; K512-L516 PolarHBondContact O-N 2.99Å; K513-L516 PolarHBondContact O-N 3.38Å; L516-K518 VanDerWaalsContact C-N 3.32Å; L516-K518 PolarHBondContact O-N 3.3Å; L516-E519 PolarHBondContact O-N 3.49Å; L516-K520 WeakPolarHBondContact O-CB 3.48Å; L516-K520 PolarHBondContact O-N 3.19Å; L516-I535 HydrophobicContact CB-CG2 3.91Å; L516-I535 HydrophobicContact CD2-CG2 4.16Å; L516-I535 WeakPolarHBondContact O-CG2 3.4Å; L516-Q538 HydrophobicContact CD1-CB 3.73Å; L516-L539 HydrophobicContact CD1-CB 4.3Å; L516-L542 HydrophobicContact CD1-CD1 3.59Å; L516-L542 HydrophobicContact CD1-CG 4.41Å; L516-L542 HydrophobicContact CG-CD1 4.43Å
517	L	91.8	Very high	88.5	Confident	78 Å²	78	77.2 Å²	77.2	41%	0.408	42%	0.416	S	S	.	.	H	α-helix	trans	-60.9	-40.2	172.5	-79	167.3	0	0	0	112.2	K513 Q515 A521 L539	K513-L517 HydrophobicContact CG-CD1 3.91Å; K513-L517 HydrophobicContact CG-CG 4.43Å; K513-L517 VanDerWaalsContact O-CB 3.32Å; K513-L517 WeakPolarHBondContact O-CB 3.36Å; K513-L517 VanDerWaalsContact O-CG 3.24Å; K513-L517 WeakPolarHBondContact O-CG 3.17Å; K513-L517 PolarHBondContact O-N 2.75Å; Q515-L517 VanDerWaalsContact C-N 3.31Å; Q515-L517 PolarHBondContact O-N 3.02Å; L517-A521 WeakPolarHBondContact O-CB 3.5Å; L517-A521 PolarHBondContact O-N 3.01Å; L517-A521 VanDerWaalsContact O-N 3.08Å; L517-L539 HydrophobicContact CD2-CD1 3.63Å; L517-L539 HydrophobicContact CG-CD1 3.82Å
518	K	92.9	Very high	89.6	Confident	139 Å²	139	75.4 Å²	75.4	60%	0.604	40%	0.401	S	S	*	.	H	α-helix	trans	-70.6	-43.6	176.2	-172.1	-172.2	174.6	-171.4	0	111.6	T514 Q515 L516 K520 A521 M522	T514-K518 WeakPolarHBondContact O-CB 3.45Å; T514-K518 PolarHBondContact O-N 2.82Å; T514-K518 VanDerWaalsContact O-N 3.1Å; Q515-K518 WeakPolarHBondContact O-CB 3.44Å; Q515-K518 PolarHBondContact O-N 3.19Å; L516-K518 VanDerWaalsContact C-N 3.32Å; L516-K518 PolarHBondContact O-N 3.3Å; K518-K520 VanDerWaalsContact C-N 3.33Å; K518-A521 PolarHBondContact O-N 2.84Å; K518-M522 HydrophobicContact CG-CE 4.2Å; K518-M522 HydrophobicContact CG-SD 4.4Å; K518-M522 WeakPolarHBondContact O-CG 3.32Å; K518-M522 PolarHBondContact O-N 2.92Å
519	E	92.4	Very high	90.2	Very high	67 Å²	67	76.7 Å²	76.7	31%	0.313	40%	0.404	S	S	.	.	H	α-helix	trans	-65.2	-37.5	178	-71.4	171	-173.9	0	0	111.6	Q515 L516 M522 A523 I535	Q515-E519 HydrophobicContact CG-CG 4.39Å; Q515-E519 WeakPolarHBondContact CG-OE1 3.44Å; Q515-E519 PolarHBondContact NE2-OE1 3.4Å; Q515-E519 WeakPolarHBondContact O-CG 3.12Å; Q515-E519 PolarHBondContact O-N 3.33Å; L516-E519 PolarHBondContact O-N 3.49Å; E519-M522 HydrophobicContact CB-CE 4.46Å; E519-M522 HydrophobicContact CG-CE 4.01Å; E519-M522 PolarHBondContact O-N 2.62Å; E519-A523 WeakPolarHBondContact O-CB 3.29Å; E519-A523 PolarHBondContact O-N 3.22Å; E519-I535 HydrophobicContact CB-CD1 4.09Å; E519-I535 HydrophobicContact CB-CG2 4.45Å
520	K	93.3	Very high	90.8	Very high	42 Å²	42	79.2 Å²	79.2	18%	0.183	42%	0.421	C	S	.	.	H	α-helix	trans	-60.7	-52.4	171	-177.6	-173.6	165.4	-176.2	0	110.9	L516 K518 M522 A523 E524 A532 I535	L516-K520 WeakPolarHBondContact O-CB 3.48Å; L516-K520 PolarHBondContact O-N 3.19Å; K518-K520 VanDerWaalsContact C-N 3.33Å; K520-M522 VanDerWaalsContact C-N 3.32Å; K520-M522 PolarHBondContact O-N 3.24Å; K520-A523 CarbonylContact O-C 3.58Å; K520-A523 WeakPolarHBondContact O-CA 3.44Å; K520-A523 WeakPolarHBondContact O-CB 3.42Å; K520-A523 PolarHBondContact O-N 3.5Å; K520-E524 WeakPolarHBondContact CE-OE1 3.31Å; K520-E524 WeakPolarHBondContact CE-OE2 3.25Å; K520-E524 HydrophobicContact CG-CG 4.37Å; K520-E524 IonicContact NZ-OE1 2.59Å; K520-E524 WeakPolarHBondContact O-CG 3.26Å; K520-E524 PolarHBondContact O-N 3.45Å; K520-A532 HydrophobicContact CG-CB 4.49Å; K520-I535 HydrophobicContact CB-CB 4.37Å; K520-I535 HydrophobicContact CB-CG2 3.78Å
521	A	93.6	Very high	91.1	Very high	40 Å²	40	81.1 Å²	81.1	33%	0.331	42%	0.417	S	S	.	.	H	α-helix	trans	-57.1	-45.4	179.3	0	0	0	0	0	111.5	L517 K518 A523 E524 D525	L517-A521 WeakPolarHBondContact O-CB 3.5Å; L517-A521 PolarHBondContact O-N 3.01Å; L517-A521 VanDerWaalsContact O-N 3.08Å; K518-A521 PolarHBondContact O-N 2.84Å; A521-A523 VanDerWaalsContact C-N 3.31Å; A521-A523 PolarHBondContact O-N 3.14Å; A521-E524 PolarHBondContact O-N 3.14Å; A521-E524 VanDerWaalsContact O-N 3.17Å; A521-D525 WeakPolarHBondContact O-CB 3.37Å; A521-D525 VanDerWaalsContact O-CG 3.24Å; A521-D525 PolarHBondContact O-N 2.73Å
522	M	92.1	Very high	91.5	Very high	85 Å²	85	75.5 Å²	75.5	42%	0.419	39%	0.39	S	S	.	.	H	α-helix	trans	-62.8	-34.1	175.3	-67	-177.4	-54.6	0	0	112.9	K518 E519 K520 L526	K518-M522 HydrophobicContact CG-CE 4.2Å; K518-M522 HydrophobicContact CG-SD 4.4Å; K518-M522 WeakPolarHBondContact O-CG 3.32Å; K518-M522 PolarHBondContact O-N 2.92Å; E519-M522 HydrophobicContact CB-CE 4.46Å; E519-M522 HydrophobicContact CG-CE 4.01Å; E519-M522 PolarHBondContact O-N 2.62Å; K520-M522 VanDerWaalsContact C-N 3.32Å; K520-M522 PolarHBondContact O-N 3.24Å; M522-L526 VanDerWaalsContact O-CB 3.32Å; M522-L526 WeakPolarHBondContact O-CB 3.32Å; M522-L526 WeakPolarHBondContact O-CD1 3.26Å; M522-L526 WeakPolarHBondContact O-CG 3.46Å; M522-L526 PolarHBondContact O-N 2.77Å
523	A	91.8	Very high	92	Very high	7 Å²	7	77.5 Å²	77.5	6%	0.058	40%	0.399	C	S	.	.	H	α-helix	trans	-72.3	-34.7	174.2	0	0	0	0	0	112.8	E519 K520 A521 G527 D528 K531 A532 I535	E519-A523 WeakPolarHBondContact O-CB 3.29Å; E519-A523 PolarHBondContact O-N 3.22Å; K520-A523 CarbonylContact O-C 3.58Å; K520-A523 WeakPolarHBondContact O-CA 3.44Å; K520-A523 WeakPolarHBondContact O-CB 3.42Å; K520-A523 PolarHBondContact O-N 3.5Å; A521-A523 VanDerWaalsContact C-N 3.31Å; A521-A523 PolarHBondContact O-N 3.14Å; A523-G527 PolarHBondContact O-N 2.82Å; A523-D528 PolarHBondContact O-N 2.76Å; A523-K531 HydrophobicContact CB-CB 4.04Å; A523-A532 HydrophobicContact CB-CB 4.15Å; A523-I535 HydrophobicContact CB-CD1 4.13Å
524	E	93	Very high	92.2	Very high	87 Å²	87	79 Å²	79	41%	0.407	41%	0.407	S	S	.	.	H	α-helix	trans	-68.5	-43.7	173.4	-70.2	175.5	142.3	0	0	111	K520 A521 L526 G527 A532	K520-E524 WeakPolarHBondContact CE-OE1 3.31Å; K520-E524 WeakPolarHBondContact CE-OE2 3.25Å; K520-E524 HydrophobicContact CG-CG 4.37Å; K520-E524 IonicContact NZ-OE1 2.59Å; K520-E524 WeakPolarHBondContact O-CG 3.26Å; K520-E524 PolarHBondContact O-N 3.45Å; A521-E524 PolarHBondContact O-N 3.14Å; A521-E524 VanDerWaalsContact O-N 3.17Å; E524-L526 VanDerWaalsContact C-N 3.32Å; E524-L526 PolarHBondContact O-N 2.67Å; E524-G527 PolarHBondContact O-N 2.66Å; E524-A532 HydrophobicContact CG-CB 3.69Å
525	D	91.3	Very high	92.4	Very high	140 Å²	140	76.1 Å²	76.1	75%	0.749	39%	0.389	S	S	*	.	H	α-helix	trans	-61.4	-36.4	173.8	-70	-30.4	0	0	0	112.5	A521 G527	A521-D525 WeakPolarHBondContact O-CB 3.37Å; A521-D525 VanDerWaalsContact O-CG 3.24Å; A521-D525 PolarHBondContact O-N 2.73Å; D525-G527 VanDerWaalsContact C-N 3.28Å
526	L	92.4	Very high	92.5	Very high	133 Å²	133	73.9 Å²	73.9	70%	0.696	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.2	174.4	-75.1	167.8	0	0	0	113.7	M522 E524 D528	M522-L526 VanDerWaalsContact O-CB 3.32Å; M522-L526 WeakPolarHBondContact O-CB 3.32Å; M522-L526 WeakPolarHBondContact O-CD1 3.26Å; M522-L526 WeakPolarHBondContact O-CG 3.46Å; M522-L526 PolarHBondContact O-N 2.77Å; E524-L526 VanDerWaalsContact C-N 3.32Å; E524-L526 PolarHBondContact O-N 2.67Å; L526-D528 PolarHBondContact O-N 2.87Å
527	G	90.5	Very high	92.7	Very high	50 Å²	50	78.5 Å²	78.5	52%	0.515	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	5	-175.2	0	0	0	0	0	115.1	A523 E524 D525 Q529	A523-G527 PolarHBondContact O-N 2.82Å; E524-G527 PolarHBondContact O-N 2.66Å; D525-G527 VanDerWaalsContact C-N 3.28Å; G527-Q529 PolarHBondContact O-N 3.27Å
528	D	92	Very high	92.6	Very high	61 Å²	61	79 Å²	79	33%	0.326	40%	0.403	S	S	.	.			trans	-76	67	179.6	-88.4	-49.3	0	0	0	111.5	A523 L526 D530 K531 A532	A523-D528 PolarHBondContact O-N 2.76Å; L526-D528 PolarHBondContact O-N 2.87Å; D528-D530 PolarHBondContact O-N 3.26Å; D528-D530 VanDerWaalsContact O-N 3.08Å; D528-K531 HydrophobicContact CB-CB 4.06Å; D528-K531 HydrophobicContact CB-CD 3.76Å; D528-K531 HydrophobicContact CB-CG 4Å; D528-K531 PolarHBondContact O-N 2.9Å; D528-K531 IonicContact OD1-NZ 2.65Å; D528-K531 WeakPolarHBondContact OD2-CE 3.26Å; D528-K531 IonicContact OD2-NZ 3.29Å; D528-K531 PolarHBondContact OD2-NZ 3.34Å; D528-A532 PolarHBondContact O-N 2.86Å
529	Q	91.6	Very high	92.5	Very high	107 Å²	107	72.8 Å²	72.8	50%	0.5	38%	0.376	S	S	.	.	H	α-helix	trans	-52.7	-33.6	-175.9	-71.7	-66.4	-50	0	0	113.9	G527 A532 K533	G527-Q529 PolarHBondContact O-N 3.27Å; Q529-A532 PolarHBondContact O-N 3.22Å; Q529-K533 VanDerWaalsContact O-CG 3.29Å; Q529-K533 WeakPolarHBondContact O-CG 3.39Å; Q529-K533 PolarHBondContact O-N 2.65Å
530	D	92.7	Very high	92.6	Very high	101 Å²	101	72.9 Å²	72.9	54%	0.54	38%	0.379	S	S	.	.	H	α-helix	trans	-77.8	-27.5	179.1	-64.3	-31.9	0	0	0	113.1	D528 K533 Q534	D528-D530 PolarHBondContact O-N 3.26Å; D528-D530 VanDerWaalsContact O-N 3.08Å; D530-K533 IonicContact OD1-NZ 2.65Å; D530-K533 PolarHBondContact OD1-NZ 3.14Å; D530-Q534 VanDerWaalsContact O-CG 3.27Å; D530-Q534 WeakPolarHBondContact O-CG 3.28Å; D530-Q534 PolarHBondContact O-N 3.13Å; D530-Q534 VanDerWaalsContact O-N 3.13Å; D530-Q534 PolarHBondContact O-NE2 3.21Å
531	K	90.9	Very high	92.4	Very high	105 Å²	105	75.5 Å²	75.5	46%	0.457	39%	0.392	S	S	.	.	H	α-helix	trans	-72.1	-43.1	168.3	-60.7	179.1	-166.8	160.3	0	110.1	A523 D528 K533 Q534 I535	A523-K531 HydrophobicContact CB-CB 4.04Å; D528-K531 HydrophobicContact CB-CB 4.06Å; D528-K531 HydrophobicContact CB-CD 3.76Å; D528-K531 HydrophobicContact CB-CG 4Å; D528-K531 PolarHBondContact O-N 2.9Å; D528-K531 IonicContact OD1-NZ 2.65Å; D528-K531 WeakPolarHBondContact OD2-CE 3.26Å; D528-K531 IonicContact OD2-NZ 3.29Å; D528-K531 PolarHBondContact OD2-NZ 3.34Å; K531-K533 VanDerWaalsContact C-N 3.28Å; K531-K533 PolarHBondContact O-N 2.92Å; K531-Q534 PolarHBondContact O-N 3.32Å; K531-I535 WeakPolarHBondContact O-CB 3.1Å; K531-I535 WeakPolarHBondContact O-CD1 3.4Å; K531-I535 VanDerWaalsContact O-CG1 3.22Å; K531-I535 WeakPolarHBondContact O-CG1 3.29Å; K531-I535 PolarHBondContact O-N 3.33Å
532	A	93.7	Very high	92.2	Very high	4 Å²	4	74.2 Å²	74.2	3%	0.033	38%	0.38	C	S	.	.	H	α-helix	trans	-57.4	-40.3	176	0	0	0	0	0	112.1	K520 A523 E524 D528 Q529 Q536	K520-A532 HydrophobicContact CG-CB 4.49Å; A523-A532 HydrophobicContact CB-CB 4.15Å; E524-A532 HydrophobicContact CG-CB 3.69Å; D528-A532 PolarHBondContact O-N 2.86Å; Q529-A532 PolarHBondContact O-N 3.22Å; A532-Q536 WeakPolarHBondContact O-CB 3.31Å; A532-Q536 PolarHBondContact O-N 2.77Å
533	K	94	Very high	92.1	Very high	111 Å²	111	73.5 Å²	73.5	48%	0.483	38%	0.375	S	S	.	.	H	α-helix	trans	-63.2	-51.9	171.2	-70.4	167	-158.6	158.8	0	112.5	Q529 D530 K531 I535 Q536 D537	Q529-K533 VanDerWaalsContact O-CG 3.29Å; Q529-K533 WeakPolarHBondContact O-CG 3.39Å; Q529-K533 PolarHBondContact O-N 2.65Å; D530-K533 IonicContact OD1-NZ 2.65Å; D530-K533 PolarHBondContact OD1-NZ 3.14Å; K531-K533 VanDerWaalsContact C-N 3.28Å; K531-K533 PolarHBondContact O-N 2.92Å; K533-I535 PolarHBondContact O-N 3.3Å; K533-Q536 CarbonylContact O-C 3.51Å; K533-Q536 WeakPolarHBondContact O-CA 3.44Å; K533-Q536 WeakPolarHBondContact O-CB 3.39Å; K533-Q536 PolarHBondContact O-N 3.44Å; K533-D537 PolarHBondContact O-N 3.24Å
534	Q	95.3	Very high	92	Very high	116 Å²	116	80 Å²	80	54%	0.542	41%	0.405	S	S	.	.	H	α-helix	trans	-56.7	-38.9	178.8	-72.4	168.1	34.7	0	0	112.4	D530 K531 D537 Q538	D530-Q534 VanDerWaalsContact O-CG 3.27Å; D530-Q534 WeakPolarHBondContact O-CG 3.28Å; D530-Q534 PolarHBondContact O-N 3.13Å; D530-Q534 VanDerWaalsContact O-N 3.13Å; D530-Q534 PolarHBondContact O-NE2 3.21Å; K531-Q534 PolarHBondContact O-N 3.32Å; Q534-D537 PolarHBondContact O-N 2.79Å; Q534-Q538 WeakPolarHBondContact O-CG 3.2Å; Q534-Q538 PolarHBondContact O-N 2.98Å
535	I	92.5	Very high	91.6	Very high	22 Å²	22	80 Å²	80	11%	0.113	40%	0.401	C	S	.	.	H	α-helix	trans	-72.2	-36.8	176.8	-62.1	161.5	0	0	0	110.9	L516 E519 K520 A523 K531 K533 Q538 L539	L516-I535 HydrophobicContact CB-CG2 3.91Å; L516-I535 HydrophobicContact CD2-CG2 4.16Å; L516-I535 WeakPolarHBondContact O-CG2 3.4Å; E519-I535 HydrophobicContact CB-CD1 4.09Å; E519-I535 HydrophobicContact CB-CG2 4.45Å; K520-I535 HydrophobicContact CB-CB 4.37Å; K520-I535 HydrophobicContact CB-CG2 3.78Å; A523-I535 HydrophobicContact CB-CD1 4.13Å; K531-I535 WeakPolarHBondContact O-CB 3.1Å; K531-I535 WeakPolarHBondContact O-CD1 3.4Å; K531-I535 VanDerWaalsContact O-CG1 3.22Å; K531-I535 WeakPolarHBondContact O-CG1 3.29Å; K531-I535 PolarHBondContact O-N 3.33Å; K533-I535 PolarHBondContact O-N 3.3Å; I535-Q538 PolarHBondContact O-N 2.85Å; I535-L539 VanDerWaalsContact O-CB 3.3Å; I535-L539 WeakPolarHBondContact O-CB 3.35Å; I535-L539 PolarHBondContact O-N 3.13Å
536	Q	93.8	Very high	91.3	Very high	53 Å²	53	75 Å²	75	25%	0.248	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-40.6	171.9	-176.6	64.9	61.6	0	0	111.9	A532 K533 L539 N540	A532-Q536 WeakPolarHBondContact O-CB 3.31Å; A532-Q536 PolarHBondContact O-N 2.77Å; K533-Q536 CarbonylContact O-C 3.51Å; K533-Q536 WeakPolarHBondContact O-CA 3.44Å; K533-Q536 WeakPolarHBondContact O-CB 3.39Å; K533-Q536 PolarHBondContact O-N 3.44Å; Q536-L539 WeakPolarHBondContact O-CB 3.4Å; Q536-L539 PolarHBondContact O-N 3.35Å; Q536-N540 PolarHBondContact NE2-OD1 3.47Å; Q536-N540 PolarHBondContact O-N 3.2Å; Q536-N540 PolarHBondContact O-ND2 3.26Å; Q536-N540 PolarHBondContact O-OD1 2.79Å
537	D	94.5	Very high	91.1	Very high	101 Å²	101	73.4 Å²	73.4	54%	0.54	37%	0.368	S	S	.	.	H	α-helix	trans	-65.7	-41.2	176.9	-66.8	-33.2	0	0	0	111.3	K533 Q534 L539 N540 E541	K533-D537 PolarHBondContact O-N 3.24Å; Q534-D537 PolarHBondContact O-N 2.79Å; D537-L539 VanDerWaalsContact C-N 3.32Å; D537-L539 PolarHBondContact O-N 3.02Å; D537-N540 WeakPolarHBondContact O-CB 3.43Å; D537-N540 PolarHBondContact O-N 2.97Å; D537-E541 PolarHBondContact O-N 3.22Å
538	Q	90.2	Very high	90.8	Very high	89 Å²	89	73.6 Å²	73.6	42%	0.416	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-36	171.3	-71.6	176.7	15	0	0	112.7	L516 Q534 I535 E541 L542	L516-Q538 HydrophobicContact CD1-CB 3.73Å; Q534-Q538 WeakPolarHBondContact O-CG 3.2Å; Q534-Q538 PolarHBondContact O-N 2.98Å; I535-Q538 PolarHBondContact O-N 2.85Å; Q538-E541 PolarHBondContact O-N 2.84Å; Q538-L542 WeakPolarHBondContact O-CG 3.46Å; Q538-L542 PolarHBondContact O-N 3.38Å
539	L	91.9	Very high	90.4	Very high	7 Å²	7	73.5 Å²	73.5	4%	0.037	36%	0.364	C	S	.	.	H	α-helix	trans	-65.4	-45.9	175.2	-169	164.8	0	0	0	110	L516 L517 I535 Q536 D537 E541 L542 E543	L516-L539 HydrophobicContact CD1-CB 4.3Å; L517-L539 HydrophobicContact CD2-CD1 3.63Å; L517-L539 HydrophobicContact CG-CD1 3.82Å; I535-L539 VanDerWaalsContact O-CB 3.3Å; I535-L539 WeakPolarHBondContact O-CB 3.35Å; I535-L539 PolarHBondContact O-N 3.13Å; Q536-L539 WeakPolarHBondContact O-CB 3.4Å; Q536-L539 PolarHBondContact O-N 3.35Å; D537-L539 VanDerWaalsContact C-N 3.32Å; D537-L539 PolarHBondContact O-N 3.02Å; L539-E541 PolarHBondContact O-N 3.49Å; L539-L542 PolarHBondContact O-N 3.19Å; L539-E543 VanDerWaalsContact CD2-CD 3.45Å; L539-E543 HydrophobicContact CD2-CG 4Å; L539-E543 WeakPolarHBondContact CD2-OE1 3.28Å; L539-E543 WeakPolarHBondContact O-CG 3.46Å; L539-E543 PolarHBondContact O-N 2.92Å
540	N	92.9	Very high	89.9	Confident	70 Å²	70	72.7 Å²	72.7	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-58.2	-46	174.6	-59.9	-18.2	0	0	0	111.2	Q536 D537 L542 E543 E544	Q536-N540 PolarHBondContact NE2-OD1 3.47Å; Q536-N540 PolarHBondContact O-N 3.2Å; Q536-N540 PolarHBondContact O-ND2 3.26Å; Q536-N540 PolarHBondContact O-OD1 2.79Å; D537-N540 WeakPolarHBondContact O-CB 3.43Å; D537-N540 PolarHBondContact O-N 2.97Å; N540-L542 VanDerWaalsContact C-N 3.3Å; N540-L542 PolarHBondContact O-N 3.02Å; N540-E543 PolarHBondContact O-N 2.82Å; N540-E544 WeakPolarHBondContact O-CB 3.38Å; N540-E544 PolarHBondContact O-N 2.89Å
541	E	90.7	Very high	89.5	Confident	96 Å²	96	75.4 Å²	75.4	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-65.3	-31.2	178.3	-158.2	-148.2	145.5	0	0	112.8	D537 Q538 L539 R545	D537-E541 PolarHBondContact O-N 3.22Å; Q538-E541 PolarHBondContact O-N 2.84Å; L539-E541 PolarHBondContact O-N 3.49Å; E541-R545 WeakPolarHBondContact O-CB 3.38Å; E541-R545 PolarHBondContact O-N 3.33Å; E541-R545 VanDerWaalsContact O-N 3.09Å; E541-R545 PolarHBondContact O-NH1 3.26Å; E541-R545 IonicContact OE1-CZ 3.96Å; E541-R545 IonicContact OE1-NH1 2.6Å; E541-R545 PolarHBondContact OE1-NH1 2.82Å; E541-R545 IonicContact OE1-NH2 2.76Å; E541-R545 PolarHBondContact OE1-NH2 3.28Å
542	L	88.4	Confident	89.1	Confident	14 Å²	14	76.1 Å²	76.1	7%	0.073	37%	0.371	C	S	.	.	H	α-helix	trans	-74.4	-36.6	172.9	-73.6	-174.7	0	0	0	112.6	P506 Y509 K512 L516 Q538 L539 N540 A546	P506-L542 HydrophobicContact CG-CD2 3.75Å; Y509-L542 HydrophobicContact CD1-CD2 4.4Å; Y509-L542 HydrophobicContact CE1-CD2 4.32Å; K512-L542 HydrophobicContact CB-CD1 3.96Å; K512-L542 HydrophobicContact CD-CD1 3.64Å; K512-L542 HydrophobicContact CD-CD2 4.39Å; K512-L542 HydrophobicContact CG-CD1 3.59Å; L516-L542 HydrophobicContact CD1-CD1 3.59Å; L516-L542 HydrophobicContact CD1-CG 4.41Å; L516-L542 HydrophobicContact CG-CD1 4.43Å; Q538-L542 WeakPolarHBondContact O-CG 3.46Å; Q538-L542 PolarHBondContact O-N 3.38Å; L539-L542 PolarHBondContact O-N 3.19Å; N540-L542 VanDerWaalsContact C-N 3.3Å; N540-L542 PolarHBondContact O-N 3.02Å; L542-A546 WeakPolarHBondContact O-CB 3.21Å; L542-A546 PolarHBondContact O-N 2.93Å
543	E	89.3	Confident	88.6	Confident	69 Å²	69	85.1 Å²	85.1	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-69.6	-46.3	175.5	-72.5	-173.4	162.6	0	0	111.3	K513 L539 N540 R545 A546 E547	K513-E543 HydrophobicContact CD-CG 4.45Å; K513-E543 WeakPolarHBondContact CE-OE1 3.27Å; K513-E543 IonicContact NZ-OE1 2.77Å; K513-E543 PolarHBondContact NZ-OE1 2.95Å; L539-E543 VanDerWaalsContact CD2-CD 3.45Å; L539-E543 HydrophobicContact CD2-CG 4Å; L539-E543 WeakPolarHBondContact CD2-OE1 3.28Å; L539-E543 WeakPolarHBondContact O-CG 3.46Å; L539-E543 PolarHBondContact O-N 2.92Å; N540-E543 PolarHBondContact O-N 2.82Å; E543-R545 VanDerWaalsContact C-N 3.34Å; E543-R545 PolarHBondContact O-N 3.33Å; E543-A546 PolarHBondContact O-N 2.88Å; E543-E547 WeakPolarHBondContact O-CB 3.37Å; E543-E547 PolarHBondContact O-N 2.84Å
544	E	89.7	Confident	88	Confident	145 Å²	145	81.5 Å²	81.5	68%	0.678	39%	0.391	S	S	*	.	H	α-helix	trans	-59	-44.4	174	-172.6	-175.6	179.6	0	0	111.3	N540 E547 A548	N540-E544 WeakPolarHBondContact O-CB 3.38Å; N540-E544 PolarHBondContact O-N 2.89Å; E544-E547 PolarHBondContact O-N 3.48Å; E544-A548 VanDerWaalsContact O-CB 3.29Å; E544-A548 WeakPolarHBondContact O-CB 3.35Å; E544-A548 PolarHBondContact O-N 2.77Å
545	R	85.7	Confident	87.1	Confident	85 Å²	85	82.6 Å²	82.6	32%	0.321	39%	0.394	S	S	.	.	H	α-helix	trans	-68.9	-35.4	177.3	-174.3	179	-76.3	100.4	-10.2	112.7	Y509 E541 E543 A548 L549	Y509-R545 HydrophobicContact CE1-CB 4.33Å; Y509-R545 HydrophobicContact CE1-CG 4.15Å; Y509-R545 WeakPolarHBondContact OH-CD 3.46Å; E541-R545 WeakPolarHBondContact O-CB 3.38Å; E541-R545 PolarHBondContact O-N 3.33Å; E541-R545 VanDerWaalsContact O-N 3.09Å; E541-R545 PolarHBondContact O-NH1 3.26Å; E541-R545 IonicContact OE1-CZ 3.96Å; E541-R545 IonicContact OE1-NH1 2.6Å; E541-R545 PolarHBondContact OE1-NH1 2.82Å; E541-R545 IonicContact OE1-NH2 2.76Å; E541-R545 PolarHBondContact OE1-NH2 3.28Å; E543-R545 VanDerWaalsContact C-N 3.34Å; E543-R545 PolarHBondContact O-N 3.33Å; R545-A548 PolarHBondContact O-N 3.44Å; R545-L549 WeakPolarHBondContact O-CG 3.25Å; R545-L549 PolarHBondContact O-N 2.68Å; R545-L549 VanDerWaalsContact O-N 3.09Å
546	A	85.7	Confident	86.3	Confident	36 Å²	36	88.4 Å²	88.4	30%	0.298	43%	0.425	S	S	.	.	H	α-helix	trans	-66.2	-45.6	174.2	0	0	0	0	0	111	Y509 L542 E543 L549 D550	Y509-A546 HydrophobicContact CD1-CB 3.85Å; Y509-A546 HydrophobicContact CE1-CB 4.36Å; Y509-A546 HydrophobicContact CG-CB 4.19Å; L542-A546 WeakPolarHBondContact O-CB 3.21Å; L542-A546 PolarHBondContact O-N 2.93Å; E543-A546 PolarHBondContact O-N 2.88Å; A546-L549 PolarHBondContact O-N 2.84Å; A546-D550 PolarHBondContact O-N 3.26Å
547	E	86.8	Confident	85.3	Confident	99 Å²	99	90.7 Å²	90.7	46%	0.463	44%	0.438	S	S	.	.	H	α-helix	trans	-61.4	-42.2	172.7	-81.9	-159.9	-151.3	0	0	112.2	E543 E544 L549 D550 R551	E543-E547 WeakPolarHBondContact O-CB 3.37Å; E543-E547 PolarHBondContact O-N 2.84Å; E544-E547 PolarHBondContact O-N 3.48Å; E547-L549 VanDerWaalsContact C-N 3.31Å; E547-L549 PolarHBondContact O-N 2.89Å; E547-D550 PolarHBondContact O-N 2.89Å; E547-R551 WeakPolarHBondContact O-CB 3.44Å; E547-R551 WeakPolarHBondContact O-CD 3.4Å; E547-R551 WeakPolarHBondContact O-CG 3.3Å; E547-R551 PolarHBondContact O-N 3.03Å; E547-R551 IonicContact OE2-CZ 3.57Å; E547-R551 VanDerWaalsContact OE2-CZ 3.29Å; E547-R551 IonicContact OE2-NE 2.75Å; E547-R551 PolarHBondContact OE2-NE 2.9Å; E547-R551 VanDerWaalsContact OE2-NE 3.1Å; E547-R551 IonicContact OE2-NH2 3.52Å; E547-R551 PolarHBondContact OE2-NH2 2.63Å
548	A	85.7	Confident	84.2	Confident	54 Å²	54	88.4 Å²	88.4	45%	0.446	43%	0.43	S	S	.	.	H	α-helix	trans	-61.6	-40.2	178	0	0	0	0	0	111.6	E544 R545 Q552	E544-A548 VanDerWaalsContact O-CB 3.29Å; E544-A548 WeakPolarHBondContact O-CB 3.35Å; E544-A548 PolarHBondContact O-N 2.77Å; R545-A548 PolarHBondContact O-N 3.44Å; A548-Q552 VanDerWaalsContact O-CB 3.29Å; A548-Q552 WeakPolarHBondContact O-CB 3.39Å; A548-Q552 PolarHBondContact O-N 2.72Å
549	L	82.7	Confident	83.4	Confident	60 Å²	60	87.1 Å²	87.1	31%	0.314	43%	0.434	S	S	.	.	H	α-helix	trans	-71	-37.8	174.2	-73.3	176.2	0	0	0	112.9	Y509 R545 A546 E547 Q552 R553	Y509-L549 HydrophobicContact CE2-CD1 3.82Å; Y509-L549 VanDerWaalsContact OH-CD1 3.26Å; Y509-L549 WeakPolarHBondContact OH-CD1 3.46Å; R545-L549 WeakPolarHBondContact O-CG 3.25Å; R545-L549 PolarHBondContact O-N 2.68Å; R545-L549 VanDerWaalsContact O-N 3.09Å; A546-L549 PolarHBondContact O-N 2.84Å; E547-L549 VanDerWaalsContact C-N 3.31Å; E547-L549 PolarHBondContact O-N 2.89Å; L549-Q552 PolarHBondContact O-N 3.4Å; L549-R553 VanDerWaalsContact O-CG 3.3Å; L549-R553 WeakPolarHBondContact O-CG 3.45Å; L549-R553 PolarHBondContact O-N 2.97Å
550	D	81.9	Confident	82.6	Confident	89 Å²	89	91.3 Å²	91.3	48%	0.476	46%	0.456	S	S	.	.	H	α-helix	trans	-69.1	-46.6	176	-167.5	70.5	0	0	0	111.2	A546 E547 Q552 R553 T554	A546-D550 PolarHBondContact O-N 3.26Å; E547-D550 PolarHBondContact O-N 2.89Å; D550-Q552 PolarHBondContact O-N 3.35Å; D550-R553 PolarHBondContact O-N 2.74Å; D550-R553 VanDerWaalsContact O-N 3.13Å; D550-T554 WeakPolarHBondContact O-CB 3.11Å; D550-T554 WeakPolarHBondContact O-CG2 3.35Å; D550-T554 PolarHBondContact O-N 2.89Å; D550-T554 PolarHBondContact O-OG1 2.73Å
551	R	83.8	Confident	81.9	Confident	158 Å²	158	91.2 Å²	91.2	60%	0.596	46%	0.461	S	S	*	.	H	α-helix	trans	-53.6	-37.3	168.5	-69.1	163.5	-173.3	-108.3	8.5	111.2	E547 T554 K555	E547-R551 WeakPolarHBondContact O-CB 3.44Å; E547-R551 WeakPolarHBondContact O-CD 3.4Å; E547-R551 WeakPolarHBondContact O-CG 3.3Å; E547-R551 PolarHBondContact O-N 3.03Å; E547-R551 IonicContact OE2-CZ 3.57Å; E547-R551 VanDerWaalsContact OE2-CZ 3.29Å; E547-R551 IonicContact OE2-NE 2.75Å; E547-R551 PolarHBondContact OE2-NE 2.9Å; E547-R551 VanDerWaalsContact OE2-NE 3.1Å; E547-R551 IonicContact OE2-NH2 3.52Å; E547-R551 PolarHBondContact OE2-NH2 2.63Å; R551-T554 WeakPolarHBondContact CA-OG1 3.44Å; R551-T554 PolarHBondContact O-OG1 3.43Å; R551-K555 WeakPolarHBondContact O-CG 3.23Å; R551-K555 PolarHBondContact O-N 3.27Å; R551-K555 VanDerWaalsContact O-N 3.13Å
552	Q	82.4	Confident	81.4	Confident	120 Å²	120	93.6 Å²	93.6	56%	0.561	47%	0.467	S	S	*	.	H	α-helix	trans	-69.4	-45.5	175.4	-177.6	171.4	-1.9	0	0	113	A548 L549 D550 T554	A548-Q552 VanDerWaalsContact O-CB 3.29Å; A548-Q552 WeakPolarHBondContact O-CB 3.39Å; A548-Q552 PolarHBondContact O-N 2.72Å; L549-Q552 PolarHBondContact O-N 3.4Å; D550-Q552 PolarHBondContact O-N 3.35Å; Q552-T554 VanDerWaalsContact C-N 3.33Å
553	R	82.3	Confident	81	Confident	194 Å²	194	97.2 Å²	97.2	73%	0.732	49%	0.485	S	S	*	.	H	α-helix	trans	-64.7	-39.1	176	-72.1	165.9	174.3	-175.1	-3.3	111.8	L549 D550	L549-R553 VanDerWaalsContact O-CG 3.3Å; L549-R553 WeakPolarHBondContact O-CG 3.45Å; L549-R553 PolarHBondContact O-N 2.97Å; D550-R553 PolarHBondContact O-N 2.74Å; D550-R553 VanDerWaalsContact O-N 3.13Å
554	T	81.2	Confident	80.7	Confident	35 Å²	35	98.7 Å²	98.7	22%	0.215	50%	0.495	C	S	.	.	H	α-helix	trans	-82.7	-9	-177.5	56.9	0	0	0	0	113.7	D550 R551 Q552 N556 I557 S558	D550-T554 WeakPolarHBondContact O-CB 3.11Å; D550-T554 WeakPolarHBondContact O-CG2 3.35Å; D550-T554 PolarHBondContact O-N 2.89Å; D550-T554 PolarHBondContact O-OG1 2.73Å; R551-T554 WeakPolarHBondContact CA-OG1 3.44Å; R551-T554 PolarHBondContact O-OG1 3.43Å; Q552-T554 VanDerWaalsContact C-N 3.33Å; T554-N556 PolarHBondContact O-N 3.01Å; T554-I557 CarbonylContact O-C 3.54Å; T554-I557 WeakPolarHBondContact O-CA 3.42Å; T554-I557 PolarHBondContact O-N 3Å; T554-S558 PolarHBondContact O-N 3.4Å; T554-S558 PolarHBondContact O-OG 3.03Å; T554-S558 PolarHBondContact OG1-OG 3.49Å
555	K	77.9	Confident	80.4	Confident	139 Å²	139	96.6 Å²	96.6	60%	0.604	49%	0.485	S	S	*	.	H	α-helix	trans	-43.1	-45	-177.9	-69.3	-173.6	177.3	169.4	0	114.4	R551	R551-K555 WeakPolarHBondContact O-CG 3.23Å; R551-K555 PolarHBondContact O-N 3.27Å; R551-K555 VanDerWaalsContact O-N 3.13Å
556	N	74.4	Confident	80.6	Confident	144 Å²	144	100 Å²	100	77%	0.77	50%	0.498	S	S	*	.	H	α-helix	trans	-76.2	-25.4	-179.5	-61.9	-11.1	0	0	0	113.1	T554	T554-N556 PolarHBondContact O-N 3.01Å
557	I	74.3	Confident	80.5	Confident	101 Å²	101	102.3 Å²	102.3	52%	0.518	51%	0.505	S	S	.	.	H	α-helix	trans	-90.7	-30.3	-179.3	-56.6	172.9	0	0	0	111.1	T554 A559 I560 S561	T554-I557 CarbonylContact O-C 3.54Å; T554-I557 WeakPolarHBondContact O-CA 3.42Å; T554-I557 PolarHBondContact O-N 3Å; I557-A559 VanDerWaalsContact C-N 3.27Å; I557-A559 PolarHBondContact O-N 2.9Å; I557-I560 CarbonylContact O-C 3.58Å; I557-I560 WeakPolarHBondContact O-CA 3.29Å; I557-I560 WeakPolarHBondContact O-CB 3.36Å; I557-I560 PolarHBondContact O-N 2.95Å; I557-S561 PolarHBondContact O-N 2.77Å
558	S	70.1	Confident	80.4	Confident	53 Å²	53	106.4 Å²	106.4	37%	0.371	52%	0.517	S	S	.	.	H	α-helix	trans	-61.8	-32.2	-175.7	-62.6	0	0	0	0	112.9	T554 S561 Y562	T554-S558 PolarHBondContact O-N 3.4Å; T554-S558 PolarHBondContact O-OG 3.03Å; T554-S558 PolarHBondContact OG1-OG 3.49Å; S558-S561 PolarHBondContact O-N 2.95Å; S558-Y562 VanDerWaalsContact O-CB 3.28Å; S558-Y562 WeakPolarHBondContact O-CB 3.45Å; S558-Y562 PolarHBondContact O-N 2.98Å
559	A	74	Confident	80.7	Confident	61 Å²	61	108.2 Å²	108.2	50%	0.504	52%	0.516	S	S	.	.	H	α-helix	trans	-62.6	-43.4	171.1	0	0	0	0	0	111.8	I557 I563	I557-A559 VanDerWaalsContact C-N 3.27Å; I557-A559 PolarHBondContact O-N 2.9Å; A559-I563 WeakPolarHBondContact O-CD1 3.23Å; A559-I563 VanDerWaalsContact O-CG1 3.24Å; A559-I563 WeakPolarHBondContact O-CG1 3.32Å; A559-I563 PolarHBondContact O-N 2.87Å
560	I	75.9	Confident	80.9	Confident	96 Å²	96	113.1 Å²	113.1	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-70.8	-39.2	177.7	-59.9	163.6	0	0	0	110.3	I557 I563 N564	I557-I560 CarbonylContact O-C 3.58Å; I557-I560 WeakPolarHBondContact O-CA 3.29Å; I557-I560 WeakPolarHBondContact O-CB 3.36Å; I557-I560 PolarHBondContact O-N 2.95Å; I560-I563 PolarHBondContact O-N 3.11Å; I560-N564 WeakPolarHBondContact O-CB 3.19Å; I560-N564 PolarHBondContact O-N 2.86Å; I560-N564 PolarHBondContact O-ND2 2.94Å
561	S	77.6	Confident	81	Confident	67 Å²	67	113.6 Å²	113.6	47%	0.469	53%	0.533	S	S	.	.	H	α-helix	trans	-61.6	-46.3	174.8	-164.9	0	0	0	0	111.5	I557 S558 I563 N564 Q565	I557-S561 PolarHBondContact O-N 2.77Å; S558-S561 PolarHBondContact O-N 2.95Å; S561-I563 PolarHBondContact O-N 3.08Å; S561-N564 PolarHBondContact O-N 3.44Å; S561-Q565 WeakPolarHBondContact O-CB 3.34Å; S561-Q565 PolarHBondContact O-N 3.11Å
562	Y	80.4	Confident	81.2	Confident	147 Å²	147	110.2 Å²	110.2	58%	0.576	53%	0.526	S	S	*	.	H	α-helix	trans	-64.1	-39.8	176.3	-178.2	-105.4	0	0	0	112.5	S558 R566	S558-Y562 VanDerWaalsContact O-CB 3.28Å; S558-Y562 WeakPolarHBondContact O-CB 3.45Å; S558-Y562 PolarHBondContact O-N 2.98Å; Y562-R566 VanDerWaalsContact O-CB 3.23Å; Y562-R566 WeakPolarHBondContact O-CB 3.49Å; Y562-R566 PolarHBondContact O-N 3.46Å
563	I	79.8	Confident	81.5	Confident	90 Å²	90	108.4 Å²	108.4	46%	0.462	52%	0.523	S	S	.	.	H	α-helix	trans	-62.5	-46.2	172.4	-70.1	163.3	0	0	0	110.6	A559 I560 S561 R566 N567	A559-I563 WeakPolarHBondContact O-CD1 3.23Å; A559-I563 VanDerWaalsContact O-CG1 3.24Å; A559-I563 WeakPolarHBondContact O-CG1 3.32Å; A559-I563 PolarHBondContact O-N 2.87Å; I560-I563 PolarHBondContact O-N 3.11Å; S561-I563 PolarHBondContact O-N 3.08Å; I563-R566 PolarHBondContact O-N 3.34Å; I563-N567 VanDerWaalsContact O-CB 3.3Å; I563-N567 WeakPolarHBondContact O-CB 3.44Å; I563-N567 PolarHBondContact O-N 2.92Å; I563-N567 PolarHBondContact O-ND2 3.37Å; I563-N567 PolarHBondContact O-OD1 2.85Å
564	N	81.7	Confident	81.6	Confident	99 Å²	99	102.6 Å²	102.6	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-66.7	-38.3	179.7	-72.5	-17.6	0	0	0	112.6	I560 S561 R568	I560-N564 WeakPolarHBondContact O-CB 3.19Å; I560-N564 PolarHBondContact O-N 2.86Å; I560-N564 PolarHBondContact O-ND2 2.94Å; S561-N564 PolarHBondContact O-N 3.44Å; N564-R568 WeakPolarHBondContact O-CB 3.43Å; N564-R568 PolarHBondContact O-N 3.3Å
565	Q	85.1	Confident	81.7	Confident	102 Å²	102	103.9 Å²	103.9	48%	0.477	51%	0.514	S	S	.	.	H	α-helix	trans	-63.7	-51.7	173	175.7	171.3	-7.1	0	0	110.6	S561 N567 R568 E569	S561-Q565 WeakPolarHBondContact O-CB 3.34Å; S561-Q565 PolarHBondContact O-N 3.11Å; Q565-N567 VanDerWaalsContact C-N 3.31Å; Q565-N567 PolarHBondContact O-N 3.22Å; Q565-R568 CarbonylContact O-C 3.58Å; Q565-R568 WeakPolarHBondContact O-CA 3.35Å; Q565-R568 WeakPolarHBondContact O-CB 3.38Å; Q565-R568 PolarHBondContact O-N 2.88Å; Q565-E569 HydrophobicContact CG-CG 4.38Å; Q565-E569 WeakPolarHBondContact CG-OE1 3.27Å; Q565-E569 PolarHBondContact NE2-OE1 3.06Å; Q565-E569 WeakPolarHBondContact O-CG 3.26Å; Q565-E569 PolarHBondContact O-N 2.89Å
566	R	88.1	Confident	82	Confident	156 Å²	156	102.1 Å²	102.1	59%	0.589	51%	0.508	S	S	*	.	H	α-helix	trans	-59.7	-39.7	178	-176.6	176.4	178.3	171.1	0.8	112.4	Y562 I563 R568 E569 W570	Y562-R566 VanDerWaalsContact O-CB 3.23Å; Y562-R566 WeakPolarHBondContact O-CB 3.49Å; Y562-R566 PolarHBondContact O-N 3.46Å; I563-R566 PolarHBondContact O-N 3.34Å; R566-R568 VanDerWaalsContact C-N 3.34Å; R566-E569 PolarHBondContact O-N 3.44Å; R566-W570 VanDerWaalsContact O-CB 3.26Å; R566-W570 WeakPolarHBondContact O-CB 3.21Å; R566-W570 PolarHBondContact O-N 3.22Å
567	N	84.5	Confident	82.6	Confident	84 Å²	84	100.8 Å²	100.8	45%	0.449	50%	0.496	S	S	.	.	H	α-helix	trans	-66.1	-36.9	174.8	-70.4	-9.9	0	0	0	111.6	I563 Q565 N571	I563-N567 VanDerWaalsContact O-CB 3.3Å; I563-N567 WeakPolarHBondContact O-CB 3.44Å; I563-N567 PolarHBondContact O-N 2.92Å; I563-N567 PolarHBondContact O-ND2 3.37Å; I563-N567 PolarHBondContact O-OD1 2.85Å; Q565-N567 VanDerWaalsContact C-N 3.31Å; Q565-N567 PolarHBondContact O-N 3.22Å; N567-N571 VanDerWaalsContact O-CB 3.29Å; N567-N571 WeakPolarHBondContact O-CB 3.25Å; N567-N571 PolarHBondContact O-N 3.26Å; N567-N571 PolarHBondContact O-ND2 3.29Å
568	R	85.5	Confident	83	Confident	186 Å²	186	98.2 Å²	98.2	70%	0.702	49%	0.49	S	S	*	.	H	α-helix	trans	-68.2	-44.4	175.3	-171.9	179.4	-174.3	177.1	1.9	111.8	N564 Q565 R566 N571 I572	N564-R568 WeakPolarHBondContact O-CB 3.43Å; N564-R568 PolarHBondContact O-N 3.3Å; Q565-R568 CarbonylContact O-C 3.58Å; Q565-R568 WeakPolarHBondContact O-CA 3.35Å; Q565-R568 WeakPolarHBondContact O-CB 3.38Å; Q565-R568 PolarHBondContact O-N 2.88Å; R566-R568 VanDerWaalsContact C-N 3.34Å; R568-N571 PolarHBondContact O-N 3.35Å; R568-I572 HydrophobicContact CG-CD1 4.12Å; R568-I572 WeakPolarHBondContact O-CD1 3.33Å; R568-I572 VanDerWaalsContact O-CG1 3.23Å; R568-I572 WeakPolarHBondContact O-CG1 3.15Å; R568-I572 PolarHBondContact O-N 3.3Å
569	E	90.2	Very high	83.3	Confident	92 Å²	92	101 Å²	101	43%	0.43	50%	0.5	S	S	.	.	H	α-helix	trans	-63.1	-45.3	175.8	-72	164.5	178.2	0	0	111.2	Q565 R566 I572 V573	Q565-E569 HydrophobicContact CG-CG 4.38Å; Q565-E569 WeakPolarHBondContact CG-OE1 3.27Å; Q565-E569 PolarHBondContact NE2-OE1 3.06Å; Q565-E569 WeakPolarHBondContact O-CG 3.26Å; Q565-E569 PolarHBondContact O-N 2.89Å; R566-E569 PolarHBondContact O-N 3.44Å; E569-I572 WeakPolarHBondContact O-CB 3.39Å; E569-I572 PolarHBondContact O-N 3.03Å; E569-V573 WeakPolarHBondContact O-CG2 3.49Å; E569-V573 PolarHBondContact O-N 3.16Å
570	W	87.6	Confident	83.6	Confident	162 Å²	162	102.4 Å²	102.4	61%	0.614	50%	0.502	S	S	*	.	H	α-helix	trans	-63.2	-42.6	176.1	-169.4	78.1	0	0	0	112.3	R566 I572 V573 E574	R566-W570 VanDerWaalsContact O-CB 3.26Å; R566-W570 WeakPolarHBondContact O-CB 3.21Å; R566-W570 PolarHBondContact O-N 3.22Å; W570-I572 VanDerWaalsContact C-N 3.32Å; W570-I572 PolarHBondContact O-N 2.97Å; W570-V573 PolarHBondContact O-N 3.22Å; W570-E574 WeakPolarHBondContact O-CB 3.28Å; W570-E574 PolarHBondContact O-N 3.27Å
571	N	85.1	Confident	83.9	Confident	99 Å²	99	100.3 Å²	100.3	53%	0.529	50%	0.498	S	S	.	.	H	α-helix	trans	-62.3	-37.1	173.2	-74.1	-17.6	0	0	0	112.4	N567 R568 S575	N567-N571 VanDerWaalsContact O-CB 3.29Å; N567-N571 WeakPolarHBondContact O-CB 3.25Å; N567-N571 PolarHBondContact O-N 3.26Å; N567-N571 PolarHBondContact O-ND2 3.29Å; R568-N571 PolarHBondContact O-N 3.35Å; N571-S575 WeakPolarHBondContact O-CB 3.34Å; N571-S575 PolarHBondContact O-N 3.31Å; N571-S575 PolarHBondContact O-OG 2.98Å
572	I	87.3	Confident	83.9	Confident	87 Å²	87	103.2 Å²	103.2	45%	0.446	51%	0.505	S	S	.	.	H	α-helix	trans	-65.1	-53.8	175.4	-72.5	162.2	0	0	0	109.9	R568 E569 W570 E574 S575 E576	R568-I572 HydrophobicContact CG-CD1 4.12Å; R568-I572 WeakPolarHBondContact O-CD1 3.33Å; R568-I572 VanDerWaalsContact O-CG1 3.23Å; R568-I572 WeakPolarHBondContact O-CG1 3.15Å; R568-I572 PolarHBondContact O-N 3.3Å; E569-I572 WeakPolarHBondContact O-CB 3.39Å; E569-I572 PolarHBondContact O-N 3.03Å; W570-I572 VanDerWaalsContact C-N 3.32Å; W570-I572 PolarHBondContact O-N 2.97Å; I572-E574 PolarHBondContact O-N 2.86Å; I572-S575 PolarHBondContact O-N 3.28Å; I572-S575 VanDerWaalsContact O-N 3.12Å; I572-S575 PolarHBondContact O-OG 2.94Å; I572-E576 PolarHBondContact O-N 3.05Å
573	V	88.7	Confident	83.6	Confident	83 Å²	83	99 Å²	99	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-42.8	-177.4	171.7	0	0	0	0	111.9	E569 W570 S575 E576 K577	E569-V573 WeakPolarHBondContact O-CG2 3.49Å; E569-V573 PolarHBondContact O-N 3.16Å; W570-V573 PolarHBondContact O-N 3.22Å; V573-S575 VanDerWaalsContact C-N 3.34Å; V573-S575 PolarHBondContact O-N 2.74Å; V573-E576 PolarHBondContact O-N 3.43Å; V573-K577 WeakPolarHBondContact O-CB 3.24Å; V573-K577 PolarHBondContact O-N 3.1Å
574	E	85.1	Confident	83.4	Confident	71 Å²	71	99.4 Å²	99.4	33%	0.332	50%	0.496	S	S	.	.	H	α-helix	trans	-70.6	-31.2	177.6	-162.1	60.9	-142.4	0	0	111.5	W570 I572 K577 A578	W570-E574 WeakPolarHBondContact O-CB 3.28Å; W570-E574 PolarHBondContact O-N 3.27Å; I572-E574 PolarHBondContact O-N 2.86Å; E574-K577 IonicContact OE1-NZ 2.59Å; E574-K577 PolarHBondContact OE1-NZ 3.01Å; E574-K577 IonicContact OE2-NZ 2.74Å; E574-K577 PolarHBondContact OE2-NZ 3.01Å; E574-A578 VanDerWaalsContact O-CB 3.3Å; E574-A578 WeakPolarHBondContact O-CB 3.46Å; E574-A578 PolarHBondContact O-N 3.24Å
575	S	81.7	Confident	83	Confident	62 Å²	62	100 Å²	100	43%	0.434	50%	0.5	S	S	.	.	H	α-helix	trans	-68.7	-37.7	172.1	78.7	0	0	0	0	113	N571 I572 V573 A578 L579	N571-S575 WeakPolarHBondContact O-CB 3.34Å; N571-S575 PolarHBondContact O-N 3.31Å; N571-S575 PolarHBondContact O-OG 2.98Å; I572-S575 PolarHBondContact O-N 3.28Å; I572-S575 VanDerWaalsContact O-N 3.12Å; I572-S575 PolarHBondContact O-OG 2.94Å; V573-S575 VanDerWaalsContact C-N 3.34Å; V573-S575 PolarHBondContact O-N 2.74Å; S575-A578 PolarHBondContact O-N 3.24Å; S575-L579 VanDerWaalsContact O-CG 3.32Å; S575-L579 WeakPolarHBondContact O-CG 3.14Å; S575-L579 PolarHBondContact O-N 3.02Å
576	E	84.6	Confident	82.1	Confident	103 Å²	103	101.4 Å²	101.4	48%	0.481	51%	0.508	S	S	.	.	H	α-helix	trans	-68.3	-46.5	175.7	178.5	169.7	-151.5	0	0	110.8	I572 V573 A578 L579 V580	I572-E576 PolarHBondContact O-N 3.05Å; V573-E576 PolarHBondContact O-N 3.43Å; E576-A578 VanDerWaalsContact C-N 3.3Å; E576-A578 PolarHBondContact O-N 3.39Å; E576-L579 PolarHBondContact O-N 3.47Å; E576-L579 VanDerWaalsContact O-N 3.13Å; E576-V580 WeakPolarHBondContact O-CG2 3.31Å; E576-V580 PolarHBondContact O-N 2.84Å
577	K	88.3	Confident	81.1	Confident	116 Å²	116	100.6 Å²	100.6	50%	0.504	51%	0.508	S	S	.	.	H	α-helix	trans	-58.3	-39.9	173.7	177.5	170.8	160.3	-112.4	0	112.2	V573 E574 V580 A581	V573-K577 WeakPolarHBondContact O-CB 3.24Å; V573-K577 PolarHBondContact O-N 3.1Å; E574-K577 IonicContact OE1-NZ 2.59Å; E574-K577 PolarHBondContact OE1-NZ 3.01Å; E574-K577 IonicContact OE2-NZ 2.74Å; E574-K577 PolarHBondContact OE2-NZ 3.01Å; K577-V580 PolarHBondContact O-N 3.15Å; K577-A581 WeakPolarHBondContact O-CB 3.25Å; K577-A581 PolarHBondContact O-N 2.91Å
578	A	82	Confident	80.1	Confident	47 Å²	47	102 Å²	102	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-63.8	-46	172.5	0	0	0	0	0	112.2	E574 S575 E576 V580 A581 E582	E574-A578 VanDerWaalsContact O-CB 3.3Å; E574-A578 WeakPolarHBondContact O-CB 3.46Å; E574-A578 PolarHBondContact O-N 3.24Å; S575-A578 PolarHBondContact O-N 3.24Å; E576-A578 VanDerWaalsContact C-N 3.3Å; E576-A578 PolarHBondContact O-N 3.39Å; A578-V580 VanDerWaalsContact C-N 3.33Å; A578-V580 PolarHBondContact O-N 3.03Å; A578-A581 PolarHBondContact O-N 3.21Å; A578-E582 PolarHBondContact O-N 3.17Å
579	L	76.3	Confident	79.2	Confident	111 Å²	111	99 Å²	99	58%	0.581	51%	0.51	S	S	*	.	H	α-helix	trans	-63.3	-36.4	176.2	-72.5	167.6	0	0	0	112.7	S575 E576 S583	S575-L579 VanDerWaalsContact O-CG 3.32Å; S575-L579 WeakPolarHBondContact O-CG 3.14Å; S575-L579 PolarHBondContact O-N 3.02Å; E576-L579 PolarHBondContact O-N 3.47Å; E576-L579 VanDerWaalsContact O-N 3.13Å; L579-S583 WeakPolarHBondContact O-CB 3.28Å; L579-S583 PolarHBondContact O-N 3.39Å
580	V	81.2	Confident	77.9	Confident	91 Å²	91	103.3 Å²	103.3	55%	0.552	53%	0.53	S	S	*	.	H	α-helix	trans	-66.8	-41.2	173.4	171.6	0	0	0	0	110.9	E576 K577 A578 S583 H584	E576-V580 WeakPolarHBondContact O-CG2 3.31Å; E576-V580 PolarHBondContact O-N 2.84Å; K577-V580 PolarHBondContact O-N 3.15Å; A578-V580 VanDerWaalsContact C-N 3.33Å; A578-V580 PolarHBondContact O-N 3.03Å; V580-S583 WeakPolarHBondContact O-CB 3.43Å; V580-S583 PolarHBondContact O-N 3.47Å; V580-H584 PolarHBondContact O-N 2.85Å
581	A	80.6	Confident	76.7	Confident	51 Å²	51	101.6 Å²	101.6	42%	0.421	53%	0.531	S	S	.	.	H	α-helix	trans	-65.8	-44.4	175.7	0	0	0	0	0	112.5	K577 A578 S583 H584 N585	K577-A581 WeakPolarHBondContact O-CB 3.25Å; K577-A581 PolarHBondContact O-N 2.91Å; A578-A581 PolarHBondContact O-N 3.21Å; A581-S583 VanDerWaalsContact C-N 3.34Å; A581-S583 PolarHBondContact O-N 3.47Å; A581-H584 PolarHBondContact O-N 3.44Å; A581-H584 VanDerWaalsContact O-N 3.15Å; A581-N585 PolarHBondContact O-N 3.09Å
582	E	78.4	Confident	76.3	Confident	128 Å²	128	100.8 Å²	100.8	60%	0.598	53%	0.526	S	S	*	.	H	α-helix	trans	-59.3	-45	172.1	-74.1	-171.9	170.3	0	0	111.3	A578 H584 N585 M586	A578-E582 PolarHBondContact O-N 3.17Å; E582-H584 VanDerWaalsContact C-N 3.26Å; E582-H584 PolarHBondContact O-N 3.06Å; E582-N585 PolarHBondContact O-N 2.7Å; E582-M586 WeakPolarHBondContact O-CB 3.36Å; E582-M586 WeakPolarHBondContact O-CG 3.47Å; E582-M586 PolarHBondContact O-N 2.86Å
583	S	74.8	Confident	75.8	Confident	58 Å²	58	102 Å²	102	41%	0.406	54%	0.54	S	S	.	.	H	α-helix	trans	-60.4	-33.1	175	-177	0	0	0	0	112.6	L579 V580 A581 K587	L579-S583 WeakPolarHBondContact O-CB 3.28Å; L579-S583 PolarHBondContact O-N 3.39Å; V580-S583 WeakPolarHBondContact O-CB 3.43Å; V580-S583 PolarHBondContact O-N 3.47Å; A581-S583 VanDerWaalsContact C-N 3.34Å; A581-S583 PolarHBondContact O-N 3.47Å; S583-K587 WeakPolarHBondContact O-CD 3.34Å; S583-K587 WeakPolarHBondContact O-CE 3.41Å; S583-K587 VanDerWaalsContact O-CG 3.27Å; S583-K587 WeakPolarHBondContact O-CG 3.48Å; S583-K587 PolarHBondContact O-N 3.48Å
584	H	75.8	Confident	75	Confident	99 Å²	99	107 Å²	107	46%	0.458	56%	0.555	S	S	.	*	H	α-helix	trans	-78.9	-38.6	176.6	-145.2	-42.2	0	0	0	112.9	V580 A581 E582 K587 N588	V580-H584 PolarHBondContact O-N 2.85Å; A581-H584 PolarHBondContact O-N 3.44Å; A581-H584 VanDerWaalsContact O-N 3.15Å; E582-H584 VanDerWaalsContact C-N 3.26Å; E582-H584 PolarHBondContact O-N 3.06Å; H584-K587 PolarHBondContact O-N 3.37Å; H584-N588 PolarHBondContact O-N 2.82Å; H584-N588 VanDerWaalsContact O-N 3.12Å
585	N	72.7	Confident	74.6	Confident	112 Å²	112	107 Å²	107	60%	0.599	56%	0.56	S	S	*	*	H	α-helix	trans	-64.9	-40.4	173.7	-77.6	-4	0	0	0	111.5	A581 E582 K587 N588 Q589	A581-N585 PolarHBondContact O-N 3.09Å; E582-N585 PolarHBondContact O-N 2.7Å; N585-K587 PolarHBondContact O-N 3.11Å; N585-N588 PolarHBondContact O-N 3.34Å; N585-N588 VanDerWaalsContact O-N 3.12Å; N585-Q589 WeakPolarHBondContact O-CB 3.31Å; N585-Q589 PolarHBondContact O-N 2.87Å
586	M	66.7	Low	74.3	Confident	132 Å²	132	116.1 Å²	116.1	65%	0.65	59%	0.585	S	S	*	*	H	α-helix	trans	-65.9	-15.6	175.1	-72.1	-74.4	-79.7	0	0	114.1	E582	E582-M586 WeakPolarHBondContact O-CB 3.36Å; E582-M586 WeakPolarHBondContact O-CG 3.47Å; E582-M586 PolarHBondContact O-N 2.86Å
587	K	66	Low	73.6	Confident	138 Å²	138	117.8 Å²	117.8	60%	0.6	59%	0.587	S	S	*	*	H	α-helix	trans	-87.8	-36.4	169.9	-67.6	162.7	-165.2	167	0	112.3	S583 H584 N585	S583-K587 WeakPolarHBondContact O-CD 3.34Å; S583-K587 WeakPolarHBondContact O-CE 3.41Å; S583-K587 VanDerWaalsContact O-CG 3.27Å; S583-K587 WeakPolarHBondContact O-CG 3.48Å; S583-K587 PolarHBondContact O-N 3.48Å; H584-K587 PolarHBondContact O-N 3.37Å; N585-K587 PolarHBondContact O-N 3.11Å
588	N	64.4	Low	73.1	Confident	113 Å²	113	121.3 Å²	121.3	60%	0.604	61%	0.605	S	S	*	*	H	α-helix	trans	-86	-17.7	-176.6	-69.6	7	0	0	0	113.5	H584 N585 Q590	H584-N588 PolarHBondContact O-N 2.82Å; H584-N588 VanDerWaalsContact O-N 3.12Å; N585-N588 PolarHBondContact O-N 3.34Å; N585-N588 VanDerWaalsContact O-N 3.12Å; N588-Q590 PolarHBondContact O-N 3.26Å
589	Q	65.2	Low	72.5	Confident	123 Å²	123	124.7 Å²	124.7	58%	0.575	63%	0.625	S	S	*	*	S	Bend	trans	-64.3	115.1	176.5	-171	171.4	51.9	0	0	110.3	N585 M591	N585-Q589 WeakPolarHBondContact O-CB 3.31Å; N585-Q589 PolarHBondContact O-N 2.87Å; Q589-M591 PolarHBondContact O-N 3.01Å
590	Q	64.5	Low	72.5	Confident	184 Å²	184	128.3 Å²	128.3	86%	0.86	64%	0.636	S	S	*	*			trans	-54.6	136.2	-179.8	-75.7	-177.5	-21.1	0	0	111.2	N588 D592	N588-Q590 PolarHBondContact O-N 3.26Å; Q590-D592 PolarHBondContact O-N 3.41Å
591	M	62.2	Low	72.3	Confident	126 Å²	126	130.3 Å²	130.3	62%	0.621	65%	0.65	S	S	*	*			trans	-73.9	98.2	-174	-50.6	-68.1	-158.7	0	0	110.2	Q589 P593 R597	Q589-M591 PolarHBondContact O-N 3.01Å; M591-P593 VanDerWaalsContact O-CD 3.28Å; M591-P593 WeakPolarHBondContact O-CD 3.25Å; M591-P593 VanDerWaalsContact O-N 3.16Å; M591-R597 PolarHBondContact SD-NH1 2.86Å; M591-R597 PolarHBondContact SD-NH2 2.66Å
592	D	77	Confident	71.7	Confident	82 Å²	82	133.6 Å²	133.6	44%	0.439	67%	0.665	S	S	.	*			trans	-62.2	114.5	169.9	177.4	-11.7	0	0	0	109.4	Q590 F594 T595	Q590-D592 PolarHBondContact O-N 3.41Å; D592-F594 PolarHBondContact O-N 2.8Å; D592-F594 VanDerWaalsContact O-N 3.16Å; D592-F594 WeakPolarHBondContact OD1-CB 3.31Å; D592-F594 PolarHBondContact OD1-N 2.92Å; D592-T595 HydrophobicContact CB-CG2 3.73Å; D592-T595 PolarHBondContact O-N 2.85Å; D592-T595 VanDerWaalsContact O-N 3.12Å; D592-T595 PolarHBondContact O-OG1 3.25Å; D592-T595 WeakPolarHBondContact OD2-CG2 3.34Å
593	P	75.3	Confident	71.4	Confident	113 Å²	113	134.7 Å²	134.7	73%	0.734	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-13.9	-175.2	29.2	-35.6	0	0	0	113.6	M591	M591-P593 VanDerWaalsContact O-CD 3.28Å; M591-P593 WeakPolarHBondContact O-CD 3.25Å; M591-P593 VanDerWaalsContact O-N 3.16Å
594	F	73.2	Confident	70.7	Confident	187 Å²	187	138 Å²	138	82%	0.82	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-8.7	177.3	-57.2	-74.1	0	0	0	113.1	D592 R596	D592-F594 PolarHBondContact O-N 2.8Å; D592-F594 VanDerWaalsContact O-N 3.16Å; D592-F594 WeakPolarHBondContact OD1-CB 3.31Å; D592-F594 PolarHBondContact OD1-N 2.92Å; F594-R596 PolarHBondContact O-N 3.49Å
595	T	75.1	Confident	70	Confident	71 Å²	71	136.4 Å²	136.4	44%	0.436	69%	0.691	S	S	.	*	S	Bend	trans	-77.3	119.6	176.2	58.2	0	0	0	0	112.9	D592 R597	D592-T595 HydrophobicContact CB-CG2 3.73Å; D592-T595 PolarHBondContact O-N 2.85Å; D592-T595 VanDerWaalsContact O-N 3.12Å; D592-T595 PolarHBondContact O-OG1 3.25Å; D592-T595 WeakPolarHBondContact OD2-CG2 3.34Å; T595-R597 PolarHBondContact O-N 3.16Å
596	R	76.2	Confident	69.3	Low	254 Å²	254	136.4 Å²	136.4	96%	0.958	69%	0.691	S	S	*	*			trans	-70.3	101	175	-77.5	-173.5	171.8	-128	-0.1	111.5	F594	F594-R596 PolarHBondContact O-N 3.49Å
597	R	69.1	Low	69	Low	137 Å²	137	132.9 Å²	132.9	52%	0.517	68%	0.679	S	S	.	*			trans	-78.6	148.2	177.3	-70.2	-177	159.3	-134.1	-11.2	113.1	M591 T595 C599	M591-R597 PolarHBondContact SD-NH1 2.86Å; M591-R597 PolarHBondContact SD-NH2 2.66Å; T595-R597 PolarHBondContact O-N 3.16Å; R597-C599 PolarHBondContact O-N 3.11Å
598	Q	78.9	Confident	68.7	Low	191 Å²	191	137.1 Å²	137.1	89%	0.893	69%	0.692	S	S	*	*			trans	-76.8	79.9	175.5	-77	-76.5	-10.8	0	0	111.1	K600	Q598-K600 PolarHBondContact O-N 2.72Å
599	C	68.4	Low	68.8	Low	118 Å²	118	135.8 Å²	135.8	80%	0.797	68%	0.684	S	S	*	*			trans	-69.6	93.7	178.6	-62.2	0	0	0	0	111.8	R597	R597-C599 PolarHBondContact O-N 3.11Å
600	K	76.3	Confident	69.1	Low	186 Å²	186	134.5 Å²	134.5	81%	0.809	69%	0.687	S	S	*	*			trans	-67.8	136.1	160.3	-68.3	177.6	-178.8	173.6	0	108.6	Q598 T602	Q598-K600 PolarHBondContact O-N 2.72Å; K600-T602 PolarHBondContact O-N 3.13Å; K600-T602 VanDerWaalsContact O-N 3.15Å
601	P	77.3	Confident	69.6	Low	133 Å²	133	128.9 Å²	128.9	86%	0.864	67%	0.672	S	S	*	*			trans	-69.7	111.2	175.7	27.9	-33.1	0	0	0	110.1
602	T	68.2	Low	69.9	Low	120 Å²	120	125 Å²	125	74%	0.736	66%	0.655	S	S	*	*			trans	-88.9	138.1	167.9	-57.1	0	0	0	0	108.7	K600 V604	K600-T602 PolarHBondContact O-N 3.13Å; K600-T602 VanDerWaalsContact O-N 3.15Å; T602-V604 PolarHBondContact O-N 2.96Å; T602-V604 VanDerWaalsContact O-N 3.16Å
603	I	71.9	Confident	69.5	Low	151 Å²	151	126.1 Å²	126.1	77%	0.774	66%	0.658	S	S	*	*			trans	-68.2	113.2	170.9	-64.8	174.2	0	0	0	107.7	S605	I603-S605 VanDerWaalsContact C-N 3.26Å; I603-S605 PolarHBondContact O-N 3.37Å
604	V	60	Low	69.5	Low	129 Å²	129	123.5 Å²	123.5	78%	0.782	65%	0.646	S	S	*	*			trans	-80.5	79.5	173.7	-174.2	0	0	0	0	108.1	T602	T602-V604 PolarHBondContact O-N 2.96Å; T602-V604 VanDerWaalsContact O-N 3.16Å
605	S	61.5	Low	69.8	Low	64 Å²	64	117 Å²	117	45%	0.448	63%	0.626	S	S	.	*			trans	-82.4	138.1	160.5	54.3	0	0	0	0	108.7	I603 S607	I603-S605 VanDerWaalsContact C-N 3.26Å; I603-S605 PolarHBondContact O-N 3.37Å; S605-S607 WeakPolarHBondContact CB-OG 3.4Å; S605-S607 PolarHBondContact O-N 3.01Å; S605-S607 PolarHBondContact OG-OG 2.78Å
606	N	58.1	Low	69.7	Low	113 Å²	113	117.1 Å²	117.1	60%	0.604	62%	0.624	S	S	*	*	S	Bend	trans	-66.8	-0.5	178.2	-61	-3.1	0	0	0	113	R608 D609 V612	N606-R608 PolarHBondContact O-N 3.3Å; N606-D609 PolarHBondContact O-N 3.19Å; N606-V612 HydrophobicContact CB-CG1 3.94Å
607	S	59.8	Low	69.8	Low	57 Å²	57	110.1 Å²	110.1	40%	0.399	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.6	26.3	176.2	68.2	0	0	0	0	114.7	S605 Q613	S605-S607 WeakPolarHBondContact CB-OG 3.4Å; S605-S607 PolarHBondContact O-N 3.01Å; S605-S607 PolarHBondContact OG-OG 2.78Å; S607-Q613 PolarHBondContact O-NE2 3.35Å
608	R	59.2	Low	70.3	Confident	228 Å²	228	106.4 Å²	106.4	86%	0.86	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	-6.5	175.2	-162.8	171.7	179.9	107.1	3.5	113.1	N606	N606-R608 PolarHBondContact O-N 3.3Å
609	D	67.4	Low	70.3	Confident	84 Å²	84	104 Å²	104	45%	0.449	59%	0.592	S	S	.	*	S	Bend	trans	-84	120.3	162	-175.5	-30.9	0	0	0	107.7	N606 A611 V612 Q613	N606-D609 PolarHBondContact O-N 3.19Å; D609-A611 PolarHBondContact O-N 2.98Å; D609-A611 WeakPolarHBondContact OD1-CB 3.44Å; D609-A611 PolarHBondContact OD1-N 3.19Å; D609-V612 HydrophobicContact CB-CB 4.09Å; D609-V612 HydrophobicContact CB-CG2 3.88Å; D609-V612 PolarHBondContact O-N 2.89Å; D609-V612 VanDerWaalsContact O-N 3.07Å; D609-Q613 PolarHBondContact O-N 3.47Å
610	P	70.7	Confident	70.5	Confident	96 Å²	96	102.4 Å²	102.4	62%	0.623	58%	0.575	S	S	*	*	H	α-helix	trans	-63.3	-27.8	-176.9	25.9	-34.3	0	0	0	112.7	A614	P610-A614 VanDerWaalsContact O-CB 3.32Å; P610-A614 WeakPolarHBondContact O-CB 3.47Å; P610-A614 PolarHBondContact O-N 2.81Å
611	A	75.2	Confident	70.5	Confident	67 Å²	67	98.6 Å²	98.6	55%	0.554	56%	0.564	S	S	*	*	H	α-helix	trans	-68.6	-37.7	174.3	0	0	0	0	0	111.4	D609 A615	D609-A611 PolarHBondContact O-N 2.98Å; D609-A611 WeakPolarHBondContact OD1-CB 3.44Å; D609-A611 PolarHBondContact OD1-N 3.19Å; A611-A615 WeakPolarHBondContact O-CB 3.15Å; A611-A615 PolarHBondContact O-N 3.27Å
612	V	69.9	Low	70.4	Confident	44 Å²	44	96.6 Å²	96.6	27%	0.267	56%	0.559	S	S	.	*	H	α-helix	trans	-76	-36.6	177.3	-177.4	0	0	0	0	111.5	N606 D609 A615 I616	N606-V612 HydrophobicContact CB-CG1 3.94Å; D609-V612 HydrophobicContact CB-CB 4.09Å; D609-V612 HydrophobicContact CB-CG2 3.88Å; D609-V612 PolarHBondContact O-N 2.89Å; D609-V612 VanDerWaalsContact O-N 3.07Å; V612-A615 PolarHBondContact O-N 3.46Å; V612-I616 HydrophobicContact CG1-CD1 3.81Å; V612-I616 HydrophobicContact CG1-CG1 4.3Å; V612-I616 WeakPolarHBondContact O-CB 3.17Å; V612-I616 VanDerWaalsContact O-CG1 3.26Å; V612-I616 WeakPolarHBondContact O-CG1 3.34Å; V612-I616 PolarHBondContact O-N 2.85Å
613	Q	67.8	Low	70.7	Confident	105 Å²	105	98.3 Å²	98.3	49%	0.491	56%	0.556	S	S	.	*	H	α-helix	trans	-58.3	-49.2	169.2	-74.7	-171.1	-19.3	0	0	111.2	S607 D609 A615 I616 L617	S607-Q613 PolarHBondContact O-NE2 3.35Å; D609-Q613 PolarHBondContact O-N 3.47Å; Q613-A615 VanDerWaalsContact C-N 3.35Å; Q613-A615 PolarHBondContact O-N 3.16Å; Q613-I616 PolarHBondContact O-N 3.48Å; Q613-L617 WeakPolarHBondContact O-CB 3.18Å; Q613-L617 PolarHBondContact O-N 3.34Å
614	A	75.5	Confident	70.5	Confident	59 Å²	59	99.1 Å²	99.1	49%	0.488	55%	0.55	S	S	.	*	H	α-helix	trans	-61.1	-41.5	177.5	0	0	0	0	0	112.2	P610 L617 A618	P610-A614 VanDerWaalsContact O-CB 3.32Å; P610-A614 WeakPolarHBondContact O-CB 3.47Å; P610-A614 PolarHBondContact O-N 2.81Å; A614-L617 PolarHBondContact O-N 3.32Å; A614-A618 VanDerWaalsContact O-CB 3.25Å; A614-A618 WeakPolarHBondContact O-CB 3.03Å; A614-A618 PolarHBondContact O-N 3.36Å
615	A	78.9	Confident	70	Confident	49 Å²	49	95.8 Å²	95.8	41%	0.405	54%	0.542	S	S	.	.	H	α-helix	trans	-65.4	-40.7	176.1	0	0	0	0	0	112.9	A611 V612 Q613 Q619	A611-A615 WeakPolarHBondContact O-CB 3.15Å; A611-A615 PolarHBondContact O-N 3.27Å; V612-A615 PolarHBondContact O-N 3.46Å; Q613-A615 VanDerWaalsContact C-N 3.35Å; Q613-A615 PolarHBondContact O-N 3.16Å; A615-Q619 WeakPolarHBondContact O-CB 3.4Å; A615-Q619 WeakPolarHBondContact O-CG 3.28Å; A615-Q619 PolarHBondContact O-N 2.97Å
616	I	74.2	Confident	69.2	Low	74 Å²	74	98.7 Å²	98.7	38%	0.379	56%	0.562	S	S	.	*	H	α-helix	trans	-66.1	-43.8	175.4	-71.2	168.1	0	0	0	110.5	V612 Q613 Q619 L620	V612-I616 HydrophobicContact CG1-CD1 3.81Å; V612-I616 HydrophobicContact CG1-CG1 4.3Å; V612-I616 WeakPolarHBondContact O-CB 3.17Å; V612-I616 VanDerWaalsContact O-CG1 3.26Å; V612-I616 WeakPolarHBondContact O-CG1 3.34Å; V612-I616 PolarHBondContact O-N 2.85Å; Q613-I616 PolarHBondContact O-N 3.48Å; I616-Q619 PolarHBondContact O-N 2.88Å; I616-L620 HydrophobicContact CG2-CD1 3.9Å; I616-L620 HydrophobicContact CG2-CG 4.42Å; I616-L620 WeakPolarHBondContact O-CB 3.49Å; I616-L620 WeakPolarHBondContact O-CG 3.44Å; I616-L620 PolarHBondContact O-N 3.06Å
617	L	77.2	Confident	68.3	Low	108 Å²	108	96.6 Å²	96.6	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-64.9	-40.6	178	-165.8	69.1	0	0	0	111.4	Q613 A614 L620 N621	Q613-L617 WeakPolarHBondContact O-CB 3.18Å; Q613-L617 PolarHBondContact O-N 3.34Å; A614-L617 PolarHBondContact O-N 3.32Å; L617-L620 PolarHBondContact O-N 3.38Å; L617-N621 WeakPolarHBondContact O-CB 3.43Å; L617-N621 PolarHBondContact O-N 3.2Å
618	A	79.1	Confident	67.3	Low	59 Å²	59	100.6 Å²	100.6	49%	0.488	59%	0.589	S	S	.	*	H	α-helix	trans	-64	-41.4	173	0	0	0	0	0	112.3	A614 N621 A622	A614-A618 VanDerWaalsContact O-CB 3.25Å; A614-A618 WeakPolarHBondContact O-CB 3.03Å; A614-A618 PolarHBondContact O-N 3.36Å; A618-N621 PolarHBondContact O-N 3Å; A618-A622 VanDerWaalsContact O-CB 3.28Å; A618-A622 WeakPolarHBondContact O-CB 3.5Å; A618-A622 PolarHBondContact O-N 3.29Å
619	Q	78.7	Confident	66.4	Low	139 Å²	139	97.6 Å²	97.6	65%	0.65	59%	0.59	S	S	*	*	H	α-helix	trans	-67.5	-37	174.7	-77	-175.4	6.9	0	0	112.7	A615 I616 A622 K623	A615-Q619 WeakPolarHBondContact O-CB 3.4Å; A615-Q619 WeakPolarHBondContact O-CG 3.28Å; A615-Q619 PolarHBondContact O-N 2.97Å; I616-Q619 PolarHBondContact O-N 2.88Å; Q619-A622 PolarHBondContact O-N 3.17Å; Q619-K623 WeakPolarHBondContact O-CB 3.42Å; Q619-K623 PolarHBondContact O-N 3.45Å
620	L	73.1	Confident	65.2	Low	86 Å²	86	98.8 Å²	98.8	45%	0.45	60%	0.602	S	S	.	*	H	α-helix	trans	-64.7	-45.9	174.4	-74.9	167.6	0	0	0	110.9	I616 L617 A622 K623 Y624	I616-L620 HydrophobicContact CG2-CD1 3.9Å; I616-L620 HydrophobicContact CG2-CG 4.42Å; I616-L620 WeakPolarHBondContact O-CB 3.49Å; I616-L620 WeakPolarHBondContact O-CG 3.44Å; I616-L620 PolarHBondContact O-N 3.06Å; L617-L620 PolarHBondContact O-N 3.38Å; L620-A622 PolarHBondContact O-N 3Å; L620-K623 PolarHBondContact O-N 2.95Å; L620-Y624 HydrophobicContact CD2-CD2 4.06Å; L620-Y624 HydrophobicContact CD2-CE2 4.12Å; L620-Y624 PolarHBondContact O-N 2.71Å
621	N	76.8	Confident	63.6	Low	105 Å²	105	102 Å²	102	56%	0.561	61%	0.614	S	S	*	*	H	α-helix	trans	-62.3	-40.8	174	-73.1	-16.8	0	0	0	112	L617 A618 K623 G625	L617-N621 WeakPolarHBondContact O-CB 3.43Å; L617-N621 PolarHBondContact O-N 3.2Å; A618-N621 PolarHBondContact O-N 3Å; N621-K623 VanDerWaalsContact C-N 3.31Å; N621-K623 PolarHBondContact O-N 3.43Å; N621-G625 WeakPolarHBondContact O-CA 3.44Å; N621-G625 PolarHBondContact O-N 3.05Å
622	A	75.7	Confident	61.8	Low	92 Å²	92	103 Å²	103	76%	0.76	62%	0.623	S	S	*	*	H	α-helix	trans	-70	-23.4	176.8	0	0	0	0	0	114.1	A618 Q619 L620	A618-A622 VanDerWaalsContact O-CB 3.28Å; A618-A622 WeakPolarHBondContact O-CB 3.5Å; A618-A622 PolarHBondContact O-N 3.29Å; Q619-A622 PolarHBondContact O-N 3.17Å; L620-A622 PolarHBondContact O-N 3Å
623	K	74	Confident	60.4	Low	155 Å²	155	107.1 Å²	107.1	67%	0.674	65%	0.65	S	S	*	*	H	α-helix	trans	-102.2	-23.1	-174.2	-168.6	174.2	179.8	-176.3	0	114.2	Q619 L620 N621	Q619-K623 WeakPolarHBondContact O-CB 3.42Å; Q619-K623 PolarHBondContact O-N 3.45Å; L620-K623 PolarHBondContact O-N 2.95Å; N621-K623 VanDerWaalsContact C-N 3.31Å; N621-K623 PolarHBondContact O-N 3.43Å
624	Y	67	Low	58.9	Low	168 Å²	168	111.1 Å²	111.1	66%	0.659	67%	0.666	S	S	*	*	H	α-helix	trans	-130.9	-10.5	-178.3	-59.2	-77.9	0	0	0	113.8	L620 S626	L620-Y624 HydrophobicContact CD2-CD2 4.06Å; L620-Y624 HydrophobicContact CD2-CE2 4.12Å; L620-Y624 PolarHBondContact O-N 2.71Å; Y624-S626 PolarHBondContact O-N 3.18Å; Y624-S626 VanDerWaalsContact O-N 3.09Å
625	G	50.3	Low	57.1	Low	60 Å²	60	115.6 Å²	115.6	62%	0.619	68%	0.677	S	S	*	*			trans	-83.3	72.1	177.7	0	0	0	0	0	113.2	N621	N621-G625 WeakPolarHBondContact O-CA 3.44Å; N621-G625 PolarHBondContact O-N 3.05Å
626	S	44.2	Very low	55.1	Low	124 Å²	124	120.2 Å²	120.2	87%	0.867	69%	0.691	S	S	*	*			trans	-136.7	89.4	167	-171.2	0	0	0	0	109.9	Y624	Y624-S626 PolarHBondContact O-N 3.18Å; Y624-S626 VanDerWaalsContact O-N 3.09Å
627	G	39.8	Very low	53.3	Low	69 Å²	69	122 Å²	122	71%	0.711	71%	0.71	S	S	*	*	S	Bend	trans	-173	97.5	-176.6	0	0	0	0	0	112.6
628	V	39	Very low	51.3	Low	141 Å²	141	127 Å²	127	86%	0.855	73%	0.727	S	S	*	*			trans	66.8	95.6	170.3	-166.1	0	0	0	0	116.3
629	L	40.6	Very low	49.2	Very low	166 Å²	166	127.9 Å²	127.9	87%	0.869	74%	0.743	S	S	*	*			trans	-80.6	156	147.2	-76.4	165.8	0	0	0	109.5
630	P	41	Very low	47.1	Very low	108 Å²	108	131.2 Å²	131.2	70%	0.701	76%	0.759	S	S	*	*				-133.3	148.1	123.1	36.9	-29	0	0	0	114.3
631	D	37.2	Very low	45.3	Very low	163 Å²	163	130.7 Å²	130.7	87%	0.872	77%	0.773	S	S	*	*			trans	39.5	134.2	163.7	-73.8	-37.1	0	0	0	123
632	A	37.2	Very low	43.4	Very low	90 Å²	90	134.6 Å²	134.6	74%	0.744	79%	0.785	S	S	*	*			trans	-132.9	121.8	163.6	0	0	0	0	0	110
633	P	40.7	Very low	41.7	Very low	130 Å²	130	136.5 Å²	136.5	84%	0.844	78%	0.783	S	S	*	*			trans	-79.9	137.5	171.1	31.8	-32.3	0	0	0	111.1
634	K	36.4	Very low	40.1	Very low	189 Å²	189	137.8 Å²	137.8	82%	0.822	79%	0.789	S	S	*	*			trans	-83.1	154.5	159.3	-52.5	173.5	-178.9	172.3	0	107.3
635	E	38.2	Very low	38.8	Very low	153 Å²	153	136.2 Å²	136.2	72%	0.715	79%	0.791	S	S	*	*				-174.3	161.8	67.5	-83.2	-154.4	138.1	0	0	114.2
636	M	37.5	Very low	38.6	Very low	145 Å²	145	140.6 Å²	140.6	71%	0.714	80%	0.8	S	S	*	*			trans	42.4	105.9	143.8	-64.4	-160.4	-79.9	0	0	123.3
637	S	36.3	Very low	38.2	Very low	111 Å²	111	141.9 Å²	141.9	78%	0.776	80%	0.797	S	S	*	*				89.5	131.7	117.6	81.2	0	0	0	0	122.4
638	K	33.7	Very low	38.2	Very low	213 Å²	213	143.8 Å²	143.8	93%	0.926	80%	0.8	S	S	*	*			trans	13.5	112.2	152.9	-64	179.7	177.6	178.7	0	119.2
639	G	35.4	Very low	38.3	Very low	79 Å²	79	146.8 Å²	146.8	81%	0.814	80%	0.801	S	S	*	*			trans	-146.7	141.6	153.1	0	0	0	0	0	110.7
640	Q	35.6	Very low	38.6	Very low	209 Å²	209	142.9 Å²	142.9	98%	0.977	79%	0.788	S	S	*	*			trans	-99	138	174	-63.1	167.7	-83.2	0	0	109.4
641	G	35.5	Very low	38.9	Very low	74 Å²	74	142.6 Å²	142.6	76%	0.763	79%	0.794	S	S	*	*			trans	159.8	89	169.1	0	0	0	0	0	116.5
642	K	35.7	Very low	39.8	Very low	187 Å²	187	138.7 Å²	138.7	81%	0.813	78%	0.78	S	S	*	*			trans	41.2	142.4	134.1	-88.9	-174.8	165.1	-157.7	0	123.1
643	D	40.3	Very low	40.7	Very low	133 Å²	133	140.9 Å²	140.9	71%	0.711	78%	0.779	S	S	*	*			trans	78.3	144.5	145.2	-60.1	-33.4	0	0	0	120.1
644	K	40.1	Very low	41.4	Very low	182 Å²	182	141.5 Å²	141.5	79%	0.791	78%	0.775	S	S	*	*			trans	-65	160.5	-172.5	-48.7	161.7	-179.2	173.3	0	110.1
645	D	41.1	Very low	42.4	Very low	134 Å²	134	137.3 Å²	137.3	72%	0.717	77%	0.769	S	S	*	*			cis	-168.4	170.9	48.6	-124.8	-44.2	0	0	0	114.2
646	L	45.3	Very low	43.5	Very low	153 Å²	153	139 Å²	139	80%	0.801	78%	0.777	S	S	*	*			trans	61.8	115.2	157	-65	170.3	0	0	0	122.9
647	N	35.7	Very low	45.2	Very low	150 Å²	150	135.1 Å²	135.1	80%	0.802	76%	0.76	S	S	*	*				70.6	91.5	127.4	-166.2	41.6	0	0	0	121.7
648	S	38.9	Very low	46.7	Very low	110 Å²	110	137 Å²	137	77%	0.769	76%	0.76	S	S	*	*			trans	-170.6	127.7	135	42	0	0	0	0	113
649	K	42.5	Very low	48.3	Very low	203 Å²	203	134.8 Å²	134.8	88%	0.883	75%	0.75	S	S	*	*			trans	178.4	110	160.3	-102.1	165.9	177.9	179	0	107.7
650	S	46.1	Very low	49.9	Very low	85 Å²	85	136.6 Å²	136.6	59%	0.594	74%	0.736	S	S	*	*				102.7	53.5	55.3	72.8	0	0	0	0	114.6	S652	S650-S652 VanDerWaalsContact C-N 3.29Å; S650-S652 PolarHBondContact O-N 3.1Å; S650-S652 PolarHBondContact O-OG 3Å
651	A	48.1	Very low	51.5	Low	101 Å²	101	131 Å²	131	84%	0.835	72%	0.716	S	S	*	*	S	Bend	trans	46.7	13.6	132.4	0	0	0	0	0	122.7
652	S	56.2	Low	52.9	Low	82 Å²	82	135.2 Å²	135.2	57%	0.573	72%	0.715	S	S	*	*			trans	-92.1	-25	-177.8	51	0	0	0	0	115.5	S650 L654	S650-S652 VanDerWaalsContact C-N 3.29Å; S650-S652 PolarHBondContact O-N 3.1Å; S650-S652 PolarHBondContact O-OG 3Å; S652-L654 PolarHBondContact O-N 3.16Å
653	D	54.4	Low	54.6	Low	136 Å²	136	133.2 Å²	133.2	73%	0.727	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	14.9	-160.7	-67.3	17.2	0	0	0	114.4
654	L	56.8	Low	56.1	Low	142 Å²	142	133.9 Å²	133.9	74%	0.743	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	3.3	-173.2	-67.1	175.6	0	0	0	114.7	S652	S652-L654 PolarHBondContact O-N 3.16Å
655	S	56.3	Low	57.7	Low	102 Å²	102	131.7 Å²	131.7	71%	0.713	71%	0.707	S	S	*	*	S	Bend	trans	-93.7	-12.5	-171.2	51.1	0	0	0	0	115.9
656	E	62.3	Low	59.2	Low	189 Å²	189	129.9 Å²	129.9	88%	0.883	70%	0.701	S	S	*	*	S	Bend	trans	-111.5	-1.7	-168.5	-61.7	-161.5	140.5	0	0	115.7
657	D	71.9	Confident	60.3	Low	63 Å²	63	130.3 Å²	130.3	34%	0.337	70%	0.696	S	S	.	*			trans	-136.7	103.4	-176	-169.4	-13.1	0	0	0	112.8	F659 K660	D657-F659 PolarHBondContact O-N 3.31Å; D657-F659 PolarHBondContact OD1-N 3.06Å; D657-K660 HydrophobicContact CB-CD 3.96Å; D657-K660 HydrophobicContact CB-CG 4.16Å; D657-K660 PolarHBondContact O-N 2.89Å; D657-K660 WeakPolarHBondContact OD2-CE 3.43Å; D657-K660 IonicContact OD2-NZ 3.59Å
658	L	69.1	Low	61.9	Low	149 Å²	149	129.1 Å²	129.1	78%	0.78	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-18.5	-179.5	-112.8	70.4	0	0	0	114	V661	L658-V661 WeakPolarHBondContact O-CG2 3.26Å
659	F	66.5	Low	63.1	Low	167 Å²	167	130.7 Å²	130.7	73%	0.732	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-25.5	-178.8	-71.4	-90.8	0	0	0	112.6	D657 V661	D657-F659 PolarHBondContact O-N 3.31Å; D657-F659 PolarHBondContact OD1-N 3.06Å; F659-V661 PolarHBondContact O-N 2.73Å
660	K	70.1	Confident	64.2	Low	118 Å²	118	127.7 Å²	127.7	51%	0.513	68%	0.681	S	S	.	*	G	3₁₀ helix	trans	-69.4	-13.3	175	-69.5	178.1	-172.8	157.4	0	114.2	D657 H662 D663	D657-K660 HydrophobicContact CB-CD 3.96Å; D657-K660 HydrophobicContact CB-CG 4.16Å; D657-K660 PolarHBondContact O-N 2.89Å; D657-K660 WeakPolarHBondContact OD2-CE 3.43Å; D657-K660 IonicContact OD2-NZ 3.59Å; K660-H662 PolarHBondContact O-N 3.12Å; K660-H662 VanDerWaalsContact O-N 3.13Å; K660-D663 PolarHBondContact O-N 3.4Å
661	V	67.7	Low	64.4	Low	90 Å²	90	132.2 Å²	132.2	55%	0.545	69%	0.693	S	S	.	*	G	3₁₀ helix	trans	-62.6	-18.6	178.3	-176.1	0	0	0	0	112.4	L658 F659 F664	L658-V661 WeakPolarHBondContact O-CG2 3.26Å; F659-V661 PolarHBondContact O-N 2.73Å; V661-F664 WeakPolarHBondContact O-CD1 3.22Å
662	H	66.3	Low	64.8	Low	163 Å²	163	133 Å²	133	76%	0.755	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-105.1	0.2	179.1	-66.8	-64.5	0	0	0	114.9	K660	K660-H662 PolarHBondContact O-N 3.12Å; K660-H662 VanDerWaalsContact O-N 3.13Å
663	D	70.9	Confident	64.7	Low	145 Å²	145	134.2 Å²	134.2	78%	0.775	69%	0.693	S	S	*	*			trans	-108.2	69.3	-178.4	-167.6	22.9	0	0	0	110.7	K660	K660-D663 PolarHBondContact O-N 3.4Å
664	F	71.9	Confident	63.9	Low	147 Å²	147	134 Å²	134	65%	0.645	70%	0.702	S	S	*	*			trans	-120.8	117.6	178.1	61.4	-93.4	0	0	0	112.2	V661 V666	V661-F664 WeakPolarHBondContact O-CD1 3.22Å; F664-V666 HydrophobicContact CD2-CG2 3.55Å; F664-V666 HydrophobicContact CE2-CG2 3.57Å; F664-V666 PolarHBondContact O-N 2.63Å
665	D	73	Confident	63.5	Low	136 Å²	136	132.3 Å²	132.3	73%	0.727	70%	0.702	S	S	*	*			trans	-78.5	96.7	-176.2	-167.7	32.3	0	0	0	110.7	K667	D665-K667 PolarHBondContact O-N 3.15Å; D665-K667 WeakPolarHBondContact OD2-CE 3.44Å
666	V	72.1	Confident	63	Low	96 Å²	96	135.3 Å²	135.3	58%	0.582	71%	0.705	S	S	*	*			trans	-75	88	-174	-169.6	0	0	0	0	111.3	F664 I668	F664-V666 HydrophobicContact CD2-CG2 3.55Å; F664-V666 HydrophobicContact CE2-CG2 3.57Å; F664-V666 PolarHBondContact O-N 2.63Å; V666-I668 HydrophobicContact CG1-CD1 4.32Å; V666-I668 HydrophobicContact CG1-CG1 3.7Å; V666-I668 PolarHBondContact O-N 3.13Å
667	K	69.3	Low	62	Low	163 Å²	163	132.4 Å²	132.4	71%	0.709	71%	0.706	S	S	*	*			trans	-73.8	91	170.7	-67.9	179.5	-177.8	174.1	0	111	D665 D669	D665-K667 PolarHBondContact O-N 3.15Å; D665-K667 WeakPolarHBondContact OD2-CE 3.44Å; K667-D669 VanDerWaalsContact C-N 3.31Å; K667-D669 PolarHBondContact O-N 3.21Å
668	I	70	Confident	60.7	Low	125 Å²	125	138 Å²	138	64%	0.641	73%	0.727	S	S	*	*			trans	-78.7	79.1	174.8	-49.5	179.7	0	0	0	109.7	V666 L670	V666-I668 HydrophobicContact CG1-CD1 4.32Å; V666-I668 HydrophobicContact CG1-CG1 3.7Å; V666-I668 PolarHBondContact O-N 3.13Å; I668-L670 HydrophobicContact CG2-CB 4.49Å; I668-L670 HydrophobicContact CG2-CD1 3.76Å; I668-L670 HydrophobicContact CG2-CG 3.79Å; I668-L670 PolarHBondContact O-N 2.99Å
669	D	62.5	Low	59.3	Low	143 Å²	143	136 Å²	136	77%	0.765	73%	0.731	S	S	*	*			trans	-72.5	76.6	167.8	-83.5	-29.8	0	0	0	110.4	K667 Q671	K667-D669 VanDerWaalsContact C-N 3.31Å; K667-D669 PolarHBondContact O-N 3.21Å; D669-Q671 VanDerWaalsContact C-N 3.34Å; D669-Q671 PolarHBondContact O-N 3.39Å
670	L	66.4	Low	58.2	Low	139 Å²	139	135.5 Å²	135.5	73%	0.728	74%	0.736	S	S	*	*			trans	-67.4	89.7	171.4	-97.1	158.8	0	0	0	110	I668 V672	I668-L670 HydrophobicContact CG2-CB 4.49Å; I668-L670 HydrophobicContact CG2-CD1 3.76Å; I668-L670 HydrophobicContact CG2-CG 3.79Å; I668-L670 PolarHBondContact O-N 2.99Å; L670-V672 PolarHBondContact O-N 2.91Å
671	Q	50.2	Low	56.8	Low	181 Å²	181	134.8 Å²	134.8	85%	0.846	75%	0.752	S	S	*	*			trans	-67.5	77.9	169.1	-65.3	-173.5	9.5	0	0	110.6	D669 P673	D669-Q671 VanDerWaalsContact C-N 3.34Å; D669-Q671 PolarHBondContact O-N 3.39Å; Q671-P673 WeakPolarHBondContact O-CD 3.16Å
672	V	57.2	Low	55.6	Low	116 Å²	116	138.3 Å²	138.3	70%	0.703	77%	0.766	S	S	*	*			trans	-65.3	121.8	169.5	-178.6	0	0	0	0	108.2	L670 S674	L670-V672 PolarHBondContact O-N 2.91Å; V672-S674 PolarHBondContact O-N 2.82Å
673	P	53.3	Low	54.6	Low	109 Å²	109	136.1 Å²	136.1	71%	0.708	76%	0.764	S	S	*	*			trans	-58.9	127.7	-178.8	-26.2	35.6	0	0	0	112	Q671 S675	Q671-P673 WeakPolarHBondContact O-CD 3.16Å; P673-S675 PolarHBondContact O-N 3.29Å
674	S	38	Very low	53.2	Low	131 Å²	131	135.2 Å²	135.2	92%	0.916	77%	0.769	S	S	*	*			trans	-77.9	85.6	-175.9	58.8	0	0	0	0	111.9	V672	V672-S674 PolarHBondContact O-N 2.82Å
675	S	48.1	Very low	52	Low	106 Å²	106	137.4 Å²	137.4	74%	0.741	78%	0.779	S	S	*	*			trans	-112.3	111.7	173.7	49.3	0	0	0	0	113.1	P673	P673-S675 PolarHBondContact O-N 3.29Å
676	E	46.5	Very low	50.7	Low	166 Å²	166	135.2 Å²	135.2	78%	0.776	78%	0.78	S	S	*	*			trans	44.1	97.6	159.8	-57.6	-158.4	157.5	0	0	119.4	K678	E676-K678 PolarHBondContact O-N 2.99Å; E676-K678 VanDerWaalsContact O-N 3.16Å
677	S	40.2	Very low	50	Low	128 Å²	128	136.1 Å²	136.1	90%	0.895	79%	0.787	S	S	*	*			trans	-59.9	110.1	164.4	45.4	0	0	0	0	113.2
678	K	45.6	Very low	49	Very low	180 Å²	180	134.3 Å²	134.3	78%	0.783	79%	0.792	S	S	*	*			trans	-117.3	101.3	159.5	-90.6	171	-179.2	139.7	0	110.5	E676 L680	E676-K678 PolarHBondContact O-N 2.99Å; E676-K678 VanDerWaalsContact O-N 3.16Å; K678-L680 PolarHBondContact O-N 3.47Å
679	A	40.7	Very low	47.8	Very low	106 Å²	106	133 Å²	133	88%	0.876	80%	0.8	S	S	*	*			trans	-71	118.6	-179.8	0	0	0	0	0	111.6
680	L	43	Very low	46.9	Very low	158 Å²	158	135.8 Å²	135.8	83%	0.827	81%	0.806	S	S	*	*			trans	-129.5	100.1	165.4	-85.4	169.5	0	0	0	108.9	K678 I682	K678-L680 PolarHBondContact O-N 3.47Å; L680-I682 PolarHBondContact O-N 3.46Å
681	A	39.8	Very low	45.8	Very low	103 Å²	103	137.3 Å²	137.3	85%	0.851	81%	0.814	S	S	*	*			trans	-72.3	116.7	176.8	0	0	0	0	0	110.5
682	I	43.4	Very low	45.5	Very low	163 Å²	163	132.5 Å²	132.5	84%	0.836	81%	0.813	S	S	*	*			trans	-106.3	115.8	170.9	-61.7	-178.9	0	0	0	108	L680	L680-I682 PolarHBondContact O-N 3.46Å
683	T	44.6	Very low	44.8	Very low	118 Å²	118	131.2 Å²	131.2	72%	0.724	82%	0.815	S	S	*	*			trans	-78.4	129.1	-178.8	54.7	0	0	0	0	110.8	K685	T683-K685 PolarHBondContact O-N 3.31Å
684	S	42.4	Very low	44.7	Very low	126 Å²	126	132.4 Å²	132.4	88%	0.881	82%	0.822	S	S	*	*			trans	-71.8	95.4	173.9	40.8	0	0	0	0	110.8
685	K	45.1	Very low	45.1	Very low	193 Å²	193	136 Å²	136	84%	0.839	82%	0.816	S	S	*	*			trans	-94.2	110.2	160.7	-84.8	-170.9	171.9	-176.9	0	109.6	T683	T683-K685 PolarHBondContact O-N 3.31Å
686	A	46.6	Very low	45.5	Very low	90 Å²	90	142 Å²	142	74%	0.744	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-62.9	139.6	169.6	0	0	0	0	0	110.5
687	P	56.6	Low	46.2	Very low	114 Å²	114	139.6 Å²	139.6	74%	0.74	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-68.4	152.4	166.7	31.1	-34.2	0	0	0	110.1	A689	P687-A689 PolarHBondContact O-N 3.44Å
688	P	49.9	Very low	46.9	Very low	125 Å²	125	138.9 Å²	138.9	81%	0.812	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-65.2	133.8	173.4	28.4	-33.8	0	0	0	110.1
689	A	43.2	Very low	47.9	Very low	99 Å²	99	134.8 Å²	134.8	82%	0.818	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-63	142.5	172.6	0	0	0	0	0	110.7	P687	P687-A689 PolarHBondContact O-N 3.44Å
690	K	44.7	Very low	49.5	Very low	201 Å²	201	135.5 Å²	135.5	87%	0.874	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-103.5	142.9	157.6	-76.2	-174.9	172	-174.8	0	108.2
691	D	43.1	Very low	51.2	Low	171 Å²	171	133.4 Å²	133.4	91%	0.914	77%	0.77	S	S	*	*	S	Bend	trans	-63.5	152.5	178.4	-53.6	-89.5	0	0	0	112.3
692	G	43.4	Very low	53	Low	80 Å²	80	132.3 Å²	132.3	83%	0.825	75%	0.75	S	S	*	*			trans	160.4	-23.8	171.7	0	0	0	0	0	117.2
693	A	42.4	Very low	54.7	Low	89 Å²	89	129.4 Å²	129.4	74%	0.736	73%	0.73	S	S	*	*	S	Bend	trans	-92	141.1	-175.2	0	0	0	0	0	113.4
694	P	50.8	Low	56.7	Low	133 Å²	133	128.8 Å²	128.8	86%	0.864	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-59.8	139.2	-179.3	-25.8	35.3	0	0	0	114
695	R	47.6	Very low	58.7	Low	207 Å²	207	129.8 Å²	129.8	78%	0.781	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-79.1	126.1	-173.6	-55.6	179.3	82.9	153.6	7.7	110.6
696	R	56.7	Low	60.3	Low	233 Å²	233	127.2 Å²	127.2	88%	0.879	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-66.9	161	169.6	-141.4	161.3	79.6	175.8	6.2	110.4
697	S	60.1	Low	62	Low	114 Å²	114	131.3 Å²	131.3	80%	0.797	69%	0.686	S	S	*	*			trans	-42.4	134.4	-166.8	37.6	0	0	0	0	115.6	N699	S697-N699 PolarHBondContact O-N 3.22Å
698	L	55.7	Low	62.5	Low	113 Å²	113	128.8 Å²	128.8	59%	0.592	68%	0.682	S	S	*	*			trans	-74.3	120.4	179.4	-162.7	88.5	0	0	0	110	Y703	L698-Y703 HydrophobicContact CD2-CD2 4.25Å; L698-Y703 HydrophobicContact CD2-CG 4.44Å
699	N	66.1	Low	63.7	Low	95 Å²	95	128.7 Å²	128.7	51%	0.508	67%	0.673	S	S	.	*			trans	-84.3	144.8	172.9	-169.5	28	0	0	0	111.5	S697 E701 D702 Y703	S697-N699 PolarHBondContact O-N 3.22Å; N699-E701 PolarHBondContact ND2-OE2 3.2Å; N699-D702 PolarHBondContact O-N 2.81Å; N699-Y703 PolarHBondContact O-N 2.85Å
700	L	74.5	Confident	64.9	Low	120 Å²	120	131 Å²	131	63%	0.628	67%	0.671	S	S	*	*	H	α-helix	trans	-69.2	-39.2	-170.6	-85.4	166.2	0	0	0	113.6	D702 Y703 K704	L700-D702 PolarHBondContact O-N 3.25Å; L700-Y703 PolarHBondContact O-N 3.09Å; L700-K704 PolarHBondContact O-N 3.22Å; L700-K704 VanDerWaalsContact O-N 3.09Å
701	E	78.3	Confident	65.9	Low	114 Å²	114	127.5 Å²	127.5	53%	0.533	66%	0.66	S	S	.	*	H	α-helix	trans	-56.2	-38.4	172.8	-69.1	77.5	-112.4	0	0	111.8	N699 K704 K705	N699-E701 PolarHBondContact ND2-OE2 3.2Å; E701-K704 PolarHBondContact O-N 3.15Å; E701-K705 WeakPolarHBondContact O-CB 3.36Å; E701-K705 PolarHBondContact O-N 3.44Å
702	D	77.4	Confident	67.1	Low	81 Å²	81	125.2 Å²	125.2	43%	0.433	65%	0.647	S	S	.	*	H	α-helix	trans	-80.1	-22.2	-173.1	-151.5	62.9	0	0	0	112.5	N699 L700 R706	N699-D702 PolarHBondContact O-N 2.81Å; L700-D702 PolarHBondContact O-N 3.25Å; D702-R706 WeakPolarHBondContact O-CB 3.16Å; D702-R706 PolarHBondContact O-N 2.69Å; D702-R706 IonicContact OD2-CZ 3.72Å; D702-R706 IonicContact OD2-NH2 2.62Å; D702-R706 PolarHBondContact OD2-NH2 2.62Å
703	Y	78.4	Confident	68.4	Low	102 Å²	102	127.7 Å²	127.7	40%	0.4	64%	0.637	S	S	.	*	H	α-helix	trans	-71.7	-50.8	164.2	-179.8	-104.4	0	0	0	111.3	L698 N699 L700 K705 R706 R707	L698-Y703 HydrophobicContact CD2-CD2 4.25Å; L698-Y703 HydrophobicContact CD2-CG 4.44Å; N699-Y703 PolarHBondContact O-N 2.85Å; L700-Y703 PolarHBondContact O-N 3.09Å; Y703-K705 PolarHBondContact O-N 3.01Å; Y703-R706 PolarHBondContact O-N 2.87Å; Y703-R706 VanDerWaalsContact O-N 3.1Å; Y703-R707 HydrophobicContact CE1-CG 4.21Å; Y703-R707 HydrophobicContact CE2-CG 3.95Å; Y703-R707 PolarHBondContact O-N 2.93Å
704	K	87	Confident	70	Confident	105 Å²	105	130 Å²	130	46%	0.457	63%	0.631	S	S	.	*	H	α-helix	trans	-58.8	-47	-177.7	-71.9	-174.3	176.4	-176.4	0	111.7	L700 E701 R706 R707 G708 L709 I710	L700-K704 PolarHBondContact O-N 3.22Å; L700-K704 VanDerWaalsContact O-N 3.09Å; E701-K704 PolarHBondContact O-N 3.15Å; K704-R706 VanDerWaalsContact C-N 3.33Å; K704-R706 PolarHBondContact O-N 3.29Å; K704-R707 PolarHBondContact O-N 3.16Å; K704-G708 PolarHBondContact O-N 3.48Å; K704-G708 VanDerWaalsContact O-N 3.11Å; K704-L709 HydrophobicContact CB-CB 4.27Å; K704-L709 HydrophobicContact CG-CB 4.44Å; K704-L709 PolarHBondContact O-N 2.84Å; K704-I710 HydrophobicContact CB-CD1 3.56Å; K704-I710 HydrophobicContact CB-CG1 3.83Å; K704-I710 HydrophobicContact CD-CD1 4.15Å; K704-I710 HydrophobicContact CD-CG1 4.34Å
705	K	85.6	Confident	71.2	Confident	146 Å²	146	129.8 Å²	129.8	64%	0.635	62%	0.617	S	S	*	*	H	α-helix	trans	-57.8	-40	173.9	-92	-177.3	172.4	173.5	0	113.5	E701 Y703 G708 I710	E701-K705 WeakPolarHBondContact O-CB 3.36Å; E701-K705 PolarHBondContact O-N 3.44Å; Y703-K705 PolarHBondContact O-N 3.01Å; K705-G708 PolarHBondContact O-N 3.48Å; K705-I710 HydrophobicContact CG-CB 4.4Å; K705-I710 HydrophobicContact CG-CD1 4.39Å
706	R	78	Confident	72.7	Confident	140 Å²	140	124.7 Å²	124.7	53%	0.528	61%	0.606	S	S	.	*	H	α-helix	trans	-80.9	-14.9	-175.2	-147.9	-175.2	-53.5	142.6	2.1	113.9	D702 Y703 K704	D702-R706 WeakPolarHBondContact O-CB 3.16Å; D702-R706 PolarHBondContact O-N 2.69Å; D702-R706 IonicContact OD2-CZ 3.72Å; D702-R706 IonicContact OD2-NH2 2.62Å; D702-R706 PolarHBondContact OD2-NH2 2.62Å; Y703-R706 PolarHBondContact O-N 2.87Å; Y703-R706 VanDerWaalsContact O-N 3.1Å; K704-R706 VanDerWaalsContact C-N 3.33Å; K704-R706 PolarHBondContact O-N 3.29Å
707	R	82.5	Confident	73.9	Confident	175 Å²	175	116.9 Å²	116.9	66%	0.66	59%	0.586	S	S	*	*	H	α-helix	trans	-97	-10	170.5	-88.3	-70	-154.2	170.5	4.5	114.2	Y703 K704 L709	Y703-R707 HydrophobicContact CE1-CG 4.21Å; Y703-R707 HydrophobicContact CE2-CG 3.95Å; Y703-R707 PolarHBondContact O-N 2.93Å; K704-R707 PolarHBondContact O-N 3.16Å; R707-L709 HydrophobicContact CB-CD1 3.66Å
708	G	66.5	Low	74.9	Confident	62 Å²	62	117.2 Å²	117.2	64%	0.639	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.8	34.2	-173.8	0	0	0	0	0	113.8	K704 K705	K704-G708 PolarHBondContact O-N 3.48Å; K704-G708 VanDerWaalsContact O-N 3.11Å; K705-G708 PolarHBondContact O-N 3.48Å
709	L	75.3	Confident	76.5	Confident	122 Å²	122	117.5 Å²	117.5	64%	0.639	57%	0.568	S	S	*	*			trans	-99.1	13.2	171.9	-84.7	82.3	0	0	0	112.8	K704 R707	K704-L709 HydrophobicContact CB-CB 4.27Å; K704-L709 HydrophobicContact CG-CB 4.44Å; K704-L709 PolarHBondContact O-N 2.84Å; R707-L709 HydrophobicContact CB-CD1 3.66Å
710	I	68.7	Low	77.5	Confident	148 Å²	148	119.5 Å²	119.5	76%	0.759	57%	0.574	S	S	*	*			trans	-142.7	0	167.3	-64.2	165.8	0	0	0	106.1	K704 K705	K704-I710 HydrophobicContact CB-CD1 3.56Å; K704-I710 HydrophobicContact CB-CG1 3.83Å; K704-I710 HydrophobicContact CD-CD1 4.15Å; K704-I710 HydrophobicContact CD-CG1 4.34Å; K705-I710 HydrophobicContact CG-CB 4.4Å; K705-I710 HydrophobicContact CG-CD1 4.39Å

Retrieved 710 of 710 residues in 185.9 ms (Link to these results)

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