A0A087XFA9_POEFO Loading...

Chloride channel protein

Strongly outwardly rectifying, electrogenic H(+)/Cl(-)exchanger which mediates the exchange of chloride ions against protons. The CLC channel family contains both chloride channels and proton-coupled anion transporters that exchange chloride or another anion for protons. The presence of conserved gating glutamate residues is typical for family members that function as antiporters.

AlphaFold DB , UniProt , Accession A0A087XFA9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 878 aa.

						>A0A087XFA9_POEFO|A0A087XFA9
MESEQLYHRSYCRNSYNSIASASSDEELLDGAGIIMDFHTTEDDNLLDGDAASPGSNYAMSNGGGAASSTTHLLDFLEEPIPGVGTYDDFHTIDWVREKCKDRERHRKINSKKKESAWEFTKSLYDAWSGWLVVTLTGLASGALAGLIDIAADWMNDLKEGVCLSAMWFNHEQCCWTSNETTFAERDKCPQWKSWAELILGQAEGPGSYIMNYFMYIYWALSFALLAVCLVKVFAPYACGSGIPEIKTILSGFIIRGYLGKWTLMIKTITLVLAVASGLSLGKEGPLVHVACCCGNIFSYLFPKYSKNEAKKREVLSAASAAGVSVAFGAPIGGVLFSLEEVSYYFPLKTLWRSFFAALVAAFVLRSINPFGNSRLVLFYVEYHTPWYLFELIPFILLGVFGGLWGAFFIRANIAWCRRRKSTRFGKYPVLEVILVAAITAVVAFPNPYTRQNTSELIKELFTDCGPLESSQLCQYRSQMNGSTAYTDDPNQPAEPGVYSAMWQLCLALIFKIIMTIFTFGLKVPSGLFIPSMAIGAIAGRIVGIAMEQLAYYHHDWFLFKEWCEVGADCITPGLYAMVGAAACLGGVTRMTVSLVVIVFELTGGLEYIVPLMAAVMTSKWVGDAFGREGIYEAHIRLNGYPFLDAKEEFTHTTLARDVMRPRSSDPPLAVLTQDDLTVEELQGVINETSYNGFPVIVSKESQRLVGFALRRDITIAIENARRKQEGIMLNSRVYFTQHAPTLPADSPRPLKLRSILDMSPFTVTDHTPMEIVVDIFRKLGLRQCLVTHNGNVLGIITKKNILEHLEELKQQTQPLAASWYYHKKRYPSSHGPNGKPRSRVHHVQLIRSFQDGWGGGGCSEEEEEEEEEVCLLNGSNL
					

Structure Viewer

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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	34.2	Very low	26.9	Very low	230 Å²	230	157.4 Å²	157.4	100%	1.133	74%	0.74	S	S	*	*				0	78.3	0	-75.5	174.5	169.4	0	0	105.2
2	E	25	Very low	26.7	Very low	182 Å²	182	153.7 Å²	153.7	85%	0.85	74%	0.742	S	S	*	*				57	115.5	89.3	-70.8	-179.4	145.7	0	0	108.4
3	S	28.2	Very low	26.5	Very low	101 Å²	101	158.2 Å²	158.2	71%	0.706	75%	0.747	S	S	*	*			cis	-167.7	126.6	38	38.7	0	0	0	0	106.1
4	E	29.8	Very low	26.4	Very low	153 Å²	153	156.9 Å²	156.9	72%	0.715	75%	0.747	S	S	*	*				64	131.9	89.1	-69.8	-149.8	140.7	0	0	111.6
5	Q	29.1	Very low	26.2	Very low	125 Å²	125	153.7 Å²	153.7	58%	0.584	75%	0.748	S	S	*	*			cis	171.8	151.1	20.2	-118.7	-176.4	0.1	0	0	109
6	L	28.8	Very low	26.2	Very low	107 Å²	107	157.1 Å²	157.1	56%	0.56	75%	0.752	S	S	*	*			trans	72	138.3	138.6	-55.5	165.8	0	0	0	119.1
7	Y	25.9	Very low	26.1	Very low	180 Å²	180	157.5 Å²	157.5	71%	0.706	76%	0.759	S	S	*	*			cis	-174.1	148.8	-1.2	-122.3	-163.9	0	0	0	111.9
8	H	24.3	Very low	25.9	Very low	138 Å²	138	154.4 Å²	154.4	64%	0.639	76%	0.757	S	S	*	*			trans	55.8	142.5	141.8	-75.9	-47.7	0	0	0	120.9
9	R	24.1	Very low	25.9	Very low	228 Å²	228	155.1 Å²	155.1	86%	0.86	76%	0.762	S	S	*	*			cis	-168.5	120.2	37.9	-142.9	168.9	179.8	175.9	-0.4	106.6
10	S	22.1	Very low	25.9	Very low	85 Å²	85	152.4 Å²	152.4	59%	0.594	77%	0.765	S	S	*	*				81.8	132.8	81.7	-143.5	0	0	0	0	116.2
11	Y	24.5	Very low	25.9	Very low	202 Å²	202	150.1 Å²	150.1	79%	0.792	76%	0.764	S	S	*	*			trans	92.2	102.5	164.2	-66.8	-84.6	0	0	0	117.9
12	C	24.3	Very low	25.7	Very low	113 Å²	113	144.3 Å²	144.3	76%	0.764	75%	0.753	S	S	*	*				65.8	134.9	79.4	-70	0	0	0	0	111.8
13	R	23.8	Very low	25.8	Very low	213 Å²	213	140.5 Å²	140.5	80%	0.804	75%	0.746	S	S	*	*			cis	-177.7	155.2	27.2	-141.4	-175.8	166.1	144.9	-6.9	108.9
14	N	25.5	Very low	26	Very low	140 Å²	140	140.1 Å²	140.1	75%	0.749	74%	0.744	S	S	*	*			trans	68.4	144.8	149.8	-69.4	-5.5	0	0	0	118.7
15	S	23.5	Very low	26	Very low	109 Å²	109	140.9 Å²	140.9	76%	0.762	75%	0.752	S	S	*	*			cis	-158.3	154	14.1	-172.9	0	0	0	0	110.6
16	Y	25.4	Very low	26.3	Very low	208 Å²	208	142.2 Å²	142.2	82%	0.816	76%	0.759	S	S	*	*			trans	-51.1	141.3	168.7	-75.9	-103.9	0	0	0	114.6
17	N	24.5	Very low	26.7	Very low	163 Å²	163	144.8 Å²	144.8	87%	0.872	77%	0.768	S	S	*	*				-160.4	129	115.8	-99.2	-14.6	0	0	0	112
18	S	24	Very low	27	Very low	103 Å²	103	144 Å²	144	72%	0.72	78%	0.775	S	S	*	*			trans	-75.4	135.8	-176.8	47.9	0	0	0	0	113.6
19	I	24.3	Very low	27.3	Very low	167 Å²	167	145.3 Å²	145.3	86%	0.856	79%	0.786	S	S	*	*			trans	-134.4	107.6	136.4	-61.5	-177.5	0	0	0	106.2	S21	I19-S21 PolarHBondContact O-N 3.07Å
20	A	27.6	Very low	27.6	Very low	100 Å²	100	142.1 Å²	142.1	83%	0.826	79%	0.786	S	S	*	*			trans	-67.3	119.6	169.5	0	0	0	0	0	108.9
21	S	24.7	Very low	27.9	Very low	105 Å²	105	141.6 Å²	141.6	73%	0.734	79%	0.794	S	S	*	*			trans	-118.2	106.7	156.6	68.1	0	0	0	0	107.8	I19 S23	I19-S21 PolarHBondContact O-N 3.07Å; S21-S23 PolarHBondContact O-N 2.94Å; S21-S23 VanDerWaalsContact O-N 3.12Å
22	A	29.8	Very low	28.1	Very low	109 Å²	109	136.9 Å²	136.9	90%	0.901	80%	0.797	S	S	*	*			trans	-62.6	104.2	171.3	0	0	0	0	0	109.9
23	S	27.6	Very low	28.2	Very low	102 Å²	102	134.6 Å²	134.6	71%	0.713	79%	0.792	S	S	*	*			trans	-173.5	99.9	149.5	68.7	0	0	0	0	109.2	S21	S21-S23 PolarHBondContact O-N 2.94Å; S21-S23 VanDerWaalsContact O-N 3.12Å
24	S	32.4	Very low	28.2	Very low	93 Å²	93	131.9 Å²	131.9	65%	0.65	79%	0.792	S	S	*	*			trans	166.3	72	148.3	40.3	0	0	0	0	111.3
25	D	29.1	Very low	28.4	Very low	168 Å²	168	131.4 Å²	131.4	90%	0.898	79%	0.788	S	S	*	*	S	Bend	trans	-111.9	7	161.9	-76.9	-33.8	0	0	0	112.6
26	E	35.7	Very low	28.5	Very low	154 Å²	154	133.8 Å²	133.8	72%	0.72	79%	0.789	S	S	*	*	S	Bend	trans	-102.4	-2.6	175.3	-79.1	-149.8	151.3	0	0	115.1	L28	E26-L28 PolarHBondContact O-N 3.12Å
27	E	37.9	Very low	28.4	Very low	160 Å²	160	129.7 Å²	129.7	75%	0.748	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	4.6	179.4	-78.2	-172.1	167.6	0	0	114.1
28	L	32	Very low	28.4	Very low	165 Å²	165	130.6 Å²	130.6	86%	0.864	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-5.1	-178.7	-131.3	110.6	0	0	0	114.9	E26	E26-L28 PolarHBondContact O-N 3.12Å
29	L	30.8	Very low	28.4	Very low	164 Å²	164	133.8 Å²	133.8	86%	0.859	78%	0.781	S	S	*	*	S	Bend	trans	-102.4	-3.2	-177.4	-82.9	162.4	0	0	0	115.2	G31	L29-G31 VanDerWaalsContact C-N 3.26Å; L29-G31 PolarHBondContact O-N 2.96Å
30	D	30.1	Very low	28.4	Very low	162 Å²	162	131.7 Å²	131.7	87%	0.866	78%	0.776	S	S	*	*			trans	-91.7	25.4	173.3	-95.7	-11.4	0	0	0	112.9	A32	D30-A32 VanDerWaalsContact C-N 3.29Å; D30-A32 PolarHBondContact O-N 3.19Å
31	G	29.1	Very low	28.3	Very low	74 Å²	74	132.7 Å²	132.7	76%	0.763	77%	0.772	S	S	*	*			trans	-78.5	57	-177.1	0	0	0	0	0	114.8	L29	L29-G31 VanDerWaalsContact C-N 3.26Å; L29-G31 PolarHBondContact O-N 2.96Å
32	A	27.7	Very low	28.4	Very low	103 Å²	103	136 Å²	136	85%	0.851	78%	0.776	S	S	*	*	S	Bend	trans	-142.4	71.8	165.4	0	0	0	0	0	110	D30	D30-A32 VanDerWaalsContact C-N 3.29Å; D30-A32 PolarHBondContact O-N 3.19Å
33	G	26.5	Very low	28.2	Very low	64 Å²	64	138.4 Å²	138.4	66%	0.66	77%	0.774	S	S	*	*			trans	168.6	54.6	179.8	0	0	0	0	0	112.3	I35	G33-I35 VanDerWaalsContact C-N 3.34Å; G33-I35 PolarHBondContact O-N 2.9Å
34	I	24	Very low	28.1	Very low	156 Å²	156	140.8 Å²	140.8	80%	0.8	78%	0.778	S	S	*	*			trans	-69.6	95.5	168.5	-60.8	179.3	0	0	0	107.1	M36	I34-M36 HydrophobicContact CG2-CG 4.01Å; I34-M36 PolarHBondContact O-N 3.45Å
35	I	29.2	Very low	27.8	Very low	130 Å²	130	143.8 Å²	143.8	67%	0.667	79%	0.787	S	S	*	*			trans	-80.8	107.1	160.1	-61.4	176.3	0	0	0	105.6	G33 D37	G33-I35 VanDerWaalsContact C-N 3.34Å; G33-I35 PolarHBondContact O-N 2.9Å; I35-D37 PolarHBondContact O-N 3.36Å
36	M	26.1	Very low	27.8	Very low	160 Å²	160	143.5 Å²	143.5	79%	0.788	79%	0.785	S	S	*	*			trans	-74	108.3	169.5	-78.2	-168.6	-116.9	0	0	108.9	I34	I34-M36 HydrophobicContact CG2-CG 4.01Å; I34-M36 PolarHBondContact O-N 3.45Å
37	D	23.4	Very low	27.4	Very low	121 Å²	121	142.9 Å²	142.9	65%	0.647	79%	0.785	S	S	*	*			trans	-86.4	108.5	165.1	-78.8	-21.3	0	0	0	109.1	I35	I35-D37 PolarHBondContact O-N 3.36Å
38	F	23.4	Very low	26.8	Very low	182 Å²	182	143.6 Å²	143.6	80%	0.798	80%	0.795	S	S	*	*			trans	-85.6	114.3	159	-104.5	-91	0	0	0	108.1
39	H	24.5	Very low	26.6	Very low	171 Å²	171	139.5 Å²	139.5	79%	0.792	79%	0.792	S	S	*	*			trans	-120	109.9	158.5	-94	-76.6	0	0	0	109
40	T	25.1	Very low	26.4	Very low	123 Å²	123	140 Å²	140	76%	0.755	80%	0.795	S	S	*	*			trans	-62.4	138.9	157.4	45.6	0	0	0	0	109.1
41	T	25.2	Very low	26.1	Very low	121 Å²	121	137.3 Å²	137.3	74%	0.742	80%	0.796	S	S	*	*			trans	-57.4	152.4	175.7	42.6	0	0	0	0	113.3
42	E	26.6	Very low	25.8	Very low	175 Å²	175	138.2 Å²	138.2	82%	0.818	80%	0.796	S	S	*	*			trans	77.2	99.2	161.4	-64.3	172.8	-177.2	0	0	117.3
43	D	26	Very low	25.6	Very low	159 Å²	159	138.8 Å²	138.8	85%	0.85	79%	0.794	S	S	*	*				-176.7	147.9	114	-90.5	-20.4	0	0	0	111.7
44	D	25.7	Very low	25.9	Very low	152 Å²	152	141.5 Å²	141.5	81%	0.813	80%	0.8	S	S	*	*			trans	-69.1	153.8	-148.1	-80.2	-52.6	0	0	0	119.9
45	N	25.6	Very low	25.8	Very low	155 Å²	155	138 Å²	138	83%	0.829	80%	0.802	S	S	*	*			trans	-55.3	127.6	162.8	-69.6	-61.5	0	0	0	112.1
46	L	28.5	Very low	25.5	Very low	163 Å²	163	136.7 Å²	136.7	85%	0.853	81%	0.805	S	S	*	*			trans	-152	122.1	151.1	-114.3	136.9	0	0	0	109.5
47	L	28	Very low	25.2	Very low	140 Å²	140	136.8 Å²	136.8	73%	0.733	81%	0.808	S	S	*	*			trans	122.6	66.4	168.7	-63.9	170.5	0	0	0	113.1
48	D	25.9	Very low	25.3	Very low	176 Å²	176	141.5 Å²	141.5	94%	0.941	82%	0.819	S	S	*	*			trans	-148	100.3	139.4	-95	-24.1	0	0	0	106.8
49	G	26.8	Very low	25.2	Very low	78 Å²	78	137.4 Å²	137.4	80%	0.804	82%	0.819	S	S	*	*			trans	-125	106.4	173	0	0	0	0	0	108.5
50	D	26	Very low	25.1	Very low	174 Å²	174	137.8 Å²	137.8	93%	0.93	82%	0.823	S	S	*	*			trans	-58.2	137.1	171.8	-75.2	-48	0	0	0	111.6
51	A	25.6	Very low	25	Very low	106 Å²	106	136.6 Å²	136.6	88%	0.876	82%	0.819	S	S	*	*			trans	-149.3	112	153.7	0	0	0	0	0	110.3
52	A	23	Very low	24.9	Very low	93 Å²	93	139.1 Å²	139.1	77%	0.769	83%	0.828	S	S	*	*			trans	-98.2	135.2	169.3	0	0	0	0	0	110.6
53	S	22.9	Very low	24.7	Very low	116 Å²	116	134.5 Å²	134.5	81%	0.811	83%	0.828	S	S	*	*			trans	79.4	159.6	154.5	77.3	0	0	0	0	119.9
54	P	31.6	Very low	24.5	Very low	121 Å²	121	131 Å²	131	79%	0.786	83%	0.83	S	S	*	*			cis	-133.2	156.3	-32.9	31	-12.1	0	0	0	114.5
55	G	22.2	Very low	24.4	Very low	82 Å²	82	127.8 Å²	127.8	85%	0.845	83%	0.832	S	S	*	*			trans	70	111.9	147.7	0	0	0	0	0	120.6
56	S	22.7	Very low	24.2	Very low	103 Å²	103	125.4 Å²	125.4	72%	0.72	83%	0.834	S	S	*	*			trans	-156.9	120.2	141.9	68.1	0	0	0	0	111.5
57	N	21.3	Very low	24	Very low	161 Å²	161	122.5 Å²	122.5	86%	0.861	83%	0.834	S	S	*	*			trans	-63.2	129	168.8	-73.6	-36.2	0	0	0	110.8
58	Y	24.8	Very low	23.8	Very low	221 Å²	221	120.4 Å²	120.4	87%	0.867	83%	0.831	S	S	*	*			trans	-140.1	114.4	151.6	-79.2	-75.9	0	0	0	109.7
59	A	21.6	Very low	23.7	Very low	96 Å²	96	117.6 Å²	117.6	79%	0.793	83%	0.825	S	S	*	*			trans	-88.3	138.4	163.6	0	0	0	0	0	108.7
60	M	22.2	Very low	23.6	Very low	178 Å²	178	119.4 Å²	119.4	88%	0.877	82%	0.82	S	S	*	*			trans	-161.6	115.5	147	-110.7	174.2	97.8	0	0	112.7
61	S	22.5	Very low	23.6	Very low	98 Å²	98	116.6 Å²	116.6	69%	0.685	81%	0.81	S	S	*	*			trans	47.3	112.8	135.4	64.7	0	0	0	0	122.4
62	N	22.8	Very low	23.6	Very low	174 Å²	174	119.2 Å²	119.2	93%	0.93	80%	0.803	S	S	*	*			trans	11.8	129.4	132.9	-102.8	-0.6	0	0	0	120.6
63	G	23.4	Very low	23.8	Very low	78 Å²	78	122.2 Å²	122.2	80%	0.804	81%	0.806	S	S	*	*			trans	-175.4	69.1	164	0	0	0	0	0	114.4
64	G	22.4	Very low	24	Very low	87 Å²	87	123 Å²	123	90%	0.897	80%	0.8	S	S	*	*			trans	52.4	119.8	143.5	0	0	0	0	0	122.6
65	G	23	Very low	23.8	Very low	83 Å²	83	122.9 Å²	122.9	86%	0.856	79%	0.793	S	S	*	*			trans	128.1	45.6	143.5	0	0	0	0	0	118.4
66	A	21.7	Very low	24.1	Very low	106 Å²	106	126.1 Å²	126.1	88%	0.876	78%	0.784	S	S	*	*			trans	-92.1	110.3	170.3	0	0	0	0	0	111.1	S68	A66-S68 PolarHBondContact O-N 3.03Å
67	A	23.9	Very low	24.5	Very low	102 Å²	102	128 Å²	128	84%	0.843	79%	0.785	S	S	*	*			trans	-77.5	114.4	164.1	0	0	0	0	0	109.4	S69	A67-S69 PolarHBondContact O-N 2.85Å
68	S	22.8	Very low	25	Very low	96 Å²	96	128.2 Å²	128.2	67%	0.671	78%	0.781	S	S	*	*			trans	-13.4	110.4	166.3	-176	0	0	0	0	117	A66 T70	A66-S68 PolarHBondContact O-N 3.03Å; S68-T70 PolarHBondContact OG-OG1 3.45Å
69	S	24.7	Very low	25.4	Very low	117 Å²	117	123.7 Å²	123.7	82%	0.818	77%	0.768	S	S	*	*			trans	-100.3	73.2	161.5	60	0	0	0	0	109.7	A67	A67-S69 PolarHBondContact O-N 2.85Å
70	T	24.5	Very low	25.7	Very low	116 Å²	116	123.8 Å²	123.8	71%	0.712	76%	0.76	S	S	*	*			trans	-123.6	72.8	169.3	53.8	0	0	0	0	109.8	S68	S68-T70 PolarHBondContact OG-OG1 3.45Å
71	T	26.4	Very low	25.9	Very low	115 Å²	115	121.7 Å²	121.7	71%	0.706	75%	0.751	S	S	*	*			trans	-141.7	-7.8	172.6	34.8	0	0	0	0	115.7	L73	T71-L73 PolarHBondContact O-N 3.25Å
72	H	25.9	Very low	26.2	Very low	161 Å²	161	119.9 Å²	119.9	75%	0.745	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	2.4	-177.8	-97	-70.6	0	0	0	116.4
73	L	27.1	Very low	26.8	Very low	155 Å²	155	114.2 Å²	114.2	81%	0.812	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-15.7	-178.3	-151.1	122.9	0	0	0	113.8	T71	T71-L73 PolarHBondContact O-N 3.25Å
74	L	25.6	Very low	27.3	Very low	133 Å²	133	116.8 Å²	116.8	70%	0.696	72%	0.719	S	S	*	*	S	Bend	trans	-97.6	-8	-177.4	-73.6	169.5	0	0	0	113.9	F76 L77	L74-F76 VanDerWaalsContact C-N 3.3Å; L74-F76 PolarHBondContact O-N 3.28Å; L74-L77 HydrophobicContact CD2-CD1 4Å
75	D	27.9	Very low	27.8	Very low	119 Å²	119	115.3 Å²	115.3	64%	0.636	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-7.1	-177.9	-122.6	5.3	0	0	0	113.9
76	F	29.5	Very low	28.7	Very low	150 Å²	150	113 Å²	113	66%	0.658	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	0.5	175.2	-71	-75	0	0	0	113.8	L74	L74-F76 VanDerWaalsContact C-N 3.3Å; L74-F76 PolarHBondContact O-N 3.28Å
77	L	31.4	Very low	29.8	Very low	141 Å²	141	109 Å²	109	74%	0.738	64%	0.636	S	S	*	*	S	Bend	trans	-95.4	-6.9	-176.8	-68.9	176.2	0	0	0	114.2	L74	L74-L77 HydrophobicContact CD2-CD1 4Å
78	E	31.2	Very low	30.9	Very low	166 Å²	166	110 Å²	110	78%	0.776	63%	0.627	S	S	*	*	S	Bend	trans	-103.1	93.8	165	-82.3	-175.1	149.5	0	0	108.6	P80	E78-P80 WeakPolarHBondContact O-CD 3.43Å; E78-P80 VanDerWaalsContact O-N 3.1Å
79	E	32.3	Very low	31.9	Very low	127 Å²	127	111.4 Å²	111.4	59%	0.593	63%	0.627	S	S	*	*			trans	-53.8	113.4	163.9	-78.2	174.5	-177.2	0	0	107.7	K523	E79-K523 IonicContact OE1-NZ 2.83Å; E79-K523 PolarHBondContact OE1-NZ 2.93Å
80	P	27.6	Very low	33.5	Very low	98 Å²	98	107.1 Å²	107.1	64%	0.636	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-68.7	143.4	172.1	13.1	-3.8	0	0	0	108.8	E78	E78-P80 WeakPolarHBondContact O-CD 3.43Å; E78-P80 VanDerWaalsContact O-N 3.1Å
81	I	27.9	Very low	35.4	Very low	134 Å²	134	105.2 Å²	105.2	69%	0.687	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-52	135.4	178.2	-59.6	159.6	0	0	0	109.2
82	P	28.3	Very low	37.6	Very low	60 Å²	60	101.1 Å²	101.1	39%	0.39	55%	0.552	S	S	.	*	S	Bend	trans	-68.2	139.6	-175.3	26.8	-33.2	0	0	0	111.7
83	G	36.1	Very low	40.1	Very low	54 Å²	54	94 Å²	94	56%	0.557	52%	0.518	S	S	*	.	S	Bend	trans	112	101	172.6	0	0	0	0	0	112.6
84	V	33.6	Very low	42.4	Very low	132 Å²	132	88.7 Å²	88.7	80%	0.8	49%	0.491	S	S	*	.	S	Bend	trans	74	90.4	170.2	-162.5	0	0	0	0	114.8
85	G	32.2	Very low	44.9	Very low	56 Å²	56	84.2 Å²	84.2	58%	0.577	47%	0.465	S	S	*	.	S	Bend	trans	147.3	-17.9	172.5	0	0	0	0	0	114.6	Y87	G85-Y87 VanDerWaalsContact C-N 3.35Å; G85-Y87 PolarHBondContact O-N 3.21Å
86	T	42.8	Very low	47.3	Very low	35 Å²	35	81.7 Å²	81.7	22%	0.215	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-81.8	-8.7	-172.1	-24.7	0	0	0	0	114.2	D88 F90	T86-D88 VanDerWaalsContact C-N 3.32Å; T86-D88 PolarHBondContact O-N 3.41Å; T86-F90 WeakPolarHBondContact O-CD2 3.42Å; T86-F90 VanDerWaalsContact O-CE2 3.27Å; T86-F90 WeakPolarHBondContact O-CE2 3.44Å
87	Y	45	Very low	49.5	Very low	22 Å²	22	78.3 Å²	78.3	9%	0.086	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-77.4	-16.6	-176.5	-63.9	-47.9	0	0	0	114	G85 D89 F90 G640 P642 K800 E807	G85-Y87 VanDerWaalsContact C-N 3.35Å; G85-Y87 PolarHBondContact O-N 3.21Å; Y87-D89 VanDerWaalsContact C-N 3.29Å; Y87-D89 PolarHBondContact O-N 2.8Å; Y87-F90 PolarHBondContact O-N 3.06Å; Y87-G640 VanDerWaalsContact CE1-O 3.25Å; Y87-G640 WeakPolarHBondContact CE1-O 3.48Å; Y87-P642 HydrophobicContact CD1-CB 3.45Å; Y87-P642 VanDerWaalsContact CD1-CB 3.45Å; Y87-P642 HydrophobicContact CD1-CG 3.69Å; Y87-P642 VanDerWaalsContact CE1-CA 3.47Å; Y87-P642 HydrophobicContact CE1-CB 3.45Å; Y87-P642 VanDerWaalsContact CE1-CB 3.45Å; Y87-P642 HydrophobicContact CE1-CG 4.01Å; Y87-P642 HydrophobicContact CG-CB 4.47Å; Y87-K800 WeakPolarHBondContact O-CE 3.1Å; Y87-K800 PolarHBondContact O-NZ 3.45Å; Y87-E807 PolarHBondContact OH-OE1 3.15Å
88	D	45.4	Very low	51.9	Low	122 Å²	122	72.9 Å²	72.9	65%	0.652	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-71.5	-21.9	-173.4	-71.1	-23.5	0	0	0	114.6	T86 F90 K800	T86-D88 VanDerWaalsContact C-N 3.32Å; T86-D88 PolarHBondContact O-N 3.41Å; D88-F90 VanDerWaalsContact C-N 3.33Å; D88-F90 PolarHBondContact O-N 3.1Å; D88-K800 IonicContact OD1-NZ 3.23Å; D88-K800 PolarHBondContact OD1-NZ 2.89Å
89	D	45.4	Very low	54.3	Low	126 Å²	126	69.8 Å²	69.8	67%	0.674	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-79.5	-13.5	175.5	-63.8	-27.8	0	0	0	113.6	Y87	Y87-D89 VanDerWaalsContact C-N 3.29Å; Y87-D89 PolarHBondContact O-N 2.8Å
90	F	56.7	Low	56.6	Low	27 Å²	27	67 Å²	67	12%	0.118	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-95.4	121.3	-177.4	-62.2	-81.9	0	0	0	112.3	T86 Y87 D88 F253 I255 Y641 P642	T86-F90 WeakPolarHBondContact O-CD2 3.42Å; T86-F90 VanDerWaalsContact O-CE2 3.27Å; T86-F90 WeakPolarHBondContact O-CE2 3.44Å; Y87-F90 PolarHBondContact O-N 3.06Å; D88-F90 VanDerWaalsContact C-N 3.33Å; D88-F90 PolarHBondContact O-N 3.1Å; F90-F253 HydrophobicContact CB-CD1 4.04Å; F90-I255 HydrophobicContact CD1-CG1 4.34Å; F90-I255 HydrophobicContact CE1-CD1 4.27Å; F90-I255 HydrophobicContact CE1-CG1 4Å; F90-Y641 HydrophobicContact CE1-CD1 4.17Å; F90-Y641 HydrophobicContact CE1-CE1 4.44Å; F90-Y641 HydrophobicContact CE2-CD1 4.41Å; F90-Y641 AromaticContact CZ-CD1 3.61Å; F90-Y641 HydrophobicContact CZ-CD1 3.61Å; F90-Y641 AromaticContact CZ-CE1 3.91Å; F90-Y641 HydrophobicContact CZ-CE1 3.91Å; F90-P642 HydrophobicContact CB-CG 4.1Å; F90-P642 HydrophobicContact CD2-CG 3.97Å; F90-P642 HydrophobicContact CG-CG 3.96Å
91	H	65.9	Low	59.1	Low	77 Å²	77	67.3 Å²	67.3	36%	0.356	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	138.8	169.6	-67.3	-68.4	0	0	0	111.3	I254	H91-I254 PolarHBondContact O-N 2.82Å
92	T	71.2	Confident	61.8	Low	29 Å²	29	62.3 Å²	62.3	18%	0.178	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	141.4	173.8	46.6	0	0	0	0	111.2	G252 F253 R783	T92-G252 WeakPolarHBondContact CA-O 3.27Å; T92-F253 HydrophobicContact CG2-CD1 3.7Å; T92-F253 HydrophobicContact CG2-CE1 3.37Å; T92-F253 HydrophobicContact CG2-CZ 4.15Å; T92-R783 WeakPolarHBondContact OG1-CG 3.3Å; T92-R783 PolarHBondContact OG1-NE 3.48Å
93	I	78.7	Confident	64.5	Low	10 Å²	10	68.8 Å²	68.8	5%	0.051	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-71.9	147.5	168.7	-176.3	175.7	0	0	0	110.4	W95 E98 G252 E309 A310	I93-W95 HydrophobicContact CD1-CD2 4.38Å; I93-W95 HydrophobicContact CD1-CE3 4.45Å; I93-W95 HydrophobicContact CG2-CD2 4.14Å; I93-W95 HydrophobicContact CG2-CG 4.18Å; I93-W95 HydrophobicContact CG2-CZ2 4.13Å; I93-E98 HydrophobicContact CD1-CG 4.21Å; I93-E98 HydrophobicContact CG1-CG 4.19Å; I93-G252 WeakPolarHBondContact CG2-O 3.4Å; I93-G252 PolarHBondContact N-O 3.16Å; I93-E309 HydrophobicContact CD1-CB 3.65Å; I93-E309 HydrophobicContact CG1-CB 4.29Å; I93-A310 HydrophobicContact CD1-CB 3.91Å
94	D	75.3	Confident	66.8	Low	44 Å²	44	70.5 Å²	70.5	24%	0.235	36%	0.361	C	S	.	.			trans	-99.8	96.3	166	-176.5	-14.4	0	0	0	109.1	V96 R97 E98	D94-V96 VanDerWaalsContact C-N 3.31Å; D94-V96 PolarHBondContact O-N 2.89Å; D94-V96 PolarHBondContact OD1-N 2.98Å; D94-R97 HydrophobicContact CB-CB 4.06Å; D94-R97 VanDerWaalsContact CG-CB 3.43Å; D94-R97 PolarHBondContact OD1-N 2.94Å; D94-R97 VanDerWaalsContact OD1-N 3.1Å; D94-R97 WeakPolarHBondContact OD2-CB 3.49Å; D94-E98 WeakPolarHBondContact O-CG 3.39Å; D94-E98 PolarHBondContact O-N 2.83Å; D94-E98 VanDerWaalsContact O-N 3.1Å
95	W	78.2	Confident	69.3	Low	39 Å²	39	68.4 Å²	68.4	15%	0.148	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-36.5	-174.8	-70.4	89.6	0	0	0	112.4	I93 K99 A310 R313 G781	I93-W95 HydrophobicContact CD1-CD2 4.38Å; I93-W95 HydrophobicContact CD1-CE3 4.45Å; I93-W95 HydrophobicContact CG2-CD2 4.14Å; I93-W95 HydrophobicContact CG2-CG 4.18Å; I93-W95 HydrophobicContact CG2-CZ2 4.13Å; W95-K99 WeakPolarHBondContact O-CB 3.38Å; W95-K99 VanDerWaalsContact O-CG 3.3Å; W95-K99 WeakPolarHBondContact O-CG 3.4Å; W95-K99 PolarHBondContact O-N 2.95Å; W95-A310 HydrophobicContact CE3-CB 3.68Å; W95-A310 HydrophobicContact CZ3-CB 3.79Å; W95-R313 HydrophobicContact CH2-CB 4.18Å; W95-R313 HydrophobicContact CH2-CG 4.43Å; W95-G781 VanDerWaalsContact CD1-CA 3.47Å
96	V	77.8	Confident	71.8	Confident	66 Å²	66	70 Å²	70	40%	0.4	33%	0.331	S	S	.	.	H	α-helix	trans	-66	-50.7	-179.4	178.1	0	0	0	0	109.6	D94 E98 K99 C100 L782	D94-V96 VanDerWaalsContact C-N 3.31Å; D94-V96 PolarHBondContact O-N 2.89Å; D94-V96 PolarHBondContact OD1-N 2.98Å; V96-E98 PolarHBondContact O-N 2.89Å; V96-K99 PolarHBondContact O-N 3.06Å; V96-C100 PolarHBondContact O-N 2.97Å; V96-C100 PolarHBondContact O-SG 3.4Å; V96-C100 VanDerWaalsContact O-SG 3.42Å; V96-L782 HydrophobicContact CG2-CD2 3.85Å
97	R	77	Confident	74	Confident	80 Å²	80	76 Å²	76	30%	0.302	35%	0.35	S	S	.	.	H	α-helix	trans	-60.5	-43.8	178.9	-176.4	174.9	-178.2	169.6	3.7	112.5	D94 C100 K101 R712 D713	D94-R97 HydrophobicContact CB-CB 4.06Å; D94-R97 VanDerWaalsContact CG-CB 3.43Å; D94-R97 PolarHBondContact OD1-N 2.94Å; D94-R97 VanDerWaalsContact OD1-N 3.1Å; D94-R97 WeakPolarHBondContact OD2-CB 3.49Å; R97-C100 PolarHBondContact O-N 2.99Å; R97-K101 WeakPolarHBondContact O-CB 3.14Å; R97-K101 PolarHBondContact O-N 2.97Å; R97-R712 VanDerWaalsContact CZ-CZ 3.47Å; R97-D713 IonicContact CZ-OD2 2.65Å; R97-D713 VanDerWaalsContact CZ-OD2 3.22Å; R97-D713 IonicContact NH1-OD1 3.69Å; R97-D713 IonicContact NH1-OD2 2.74Å; R97-D713 PolarHBondContact NH1-OD2 3.08Å; R97-D713 IonicContact NH2-OD1 3.05Å; R97-D713 PolarHBondContact NH2-OD1 2.99Å; R97-D713 IonicContact NH2-OD2 3.87Å; R97-D713 PolarHBondContact NH2-OD2 3.35Å
98	E	81.3	Confident	76	Confident	26 Å²	26	80.1 Å²	80.1	12%	0.121	37%	0.369	C	S	.	.	H	α-helix	trans	-67	-35.1	179.5	-70.9	-62.1	150.9	0	0	112.3	I93 D94 V96 D102 N308 A310	I93-E98 HydrophobicContact CD1-CG 4.21Å; I93-E98 HydrophobicContact CG1-CG 4.19Å; D94-E98 WeakPolarHBondContact O-CG 3.39Å; D94-E98 PolarHBondContact O-N 2.83Å; D94-E98 VanDerWaalsContact O-N 3.1Å; V96-E98 PolarHBondContact O-N 2.89Å; E98-D102 PolarHBondContact O-N 2.7Å; E98-D102 VanDerWaalsContact O-N 3.11Å; E98-N308 PolarHBondContact O-ND2 2.97Å; E98-N308 WeakPolarHBondContact OE2-CA 3.49Å; E98-N308 PolarHBondContact OE2-OD1 3.19Å; E98-A310 HydrophobicContact CB-CB 3.96Å
99	K	81.6	Confident	78	Confident	101 Å²	101	75.1 Å²	75.1	44%	0.439	34%	0.341	S	S	.	.	H	α-helix	trans	-66.8	-44.6	172.1	-77	-180	-179.8	-178.5	0	111.9	W95 V96 D102 R103	W95-K99 WeakPolarHBondContact O-CB 3.38Å; W95-K99 VanDerWaalsContact O-CG 3.3Å; W95-K99 WeakPolarHBondContact O-CG 3.4Å; W95-K99 PolarHBondContact O-N 2.95Å; V96-K99 PolarHBondContact O-N 3.06Å; K99-D102 PolarHBondContact O-N 3.02Å; K99-R103 WeakPolarHBondContact O-CG 3.39Å; K99-R103 PolarHBondContact O-N 3.47Å
100	C	80.9	Confident	79.9	Confident	69 Å²	69	72.5 Å²	72.5	47%	0.466	33%	0.327	S	S	.	.	H	α-helix	trans	-61.6	-45.1	177.2	-71.2	0	0	0	0	111.8	V96 R97 D102 R103 E104	V96-C100 PolarHBondContact O-N 2.97Å; V96-C100 PolarHBondContact O-SG 3.4Å; V96-C100 VanDerWaalsContact O-SG 3.42Å; R97-C100 PolarHBondContact O-N 2.99Å; C100-D102 VanDerWaalsContact C-N 3.28Å; C100-D102 PolarHBondContact O-N 3.33Å; C100-R103 PolarHBondContact O-N 3Å; C100-E104 PolarHBondContact O-N 3.19Å
101	K	79.1	Confident	81.4	Confident	104 Å²	104	74.5 Å²	74.5	45%	0.452	35%	0.345	S	S	.	.	H	α-helix	trans	-59.3	-38.7	176	-174.4	-175.7	176.3	-165.4	0	112.3	R97 R105 K307	R97-K101 WeakPolarHBondContact O-CB 3.14Å; R97-K101 PolarHBondContact O-N 2.97Å; K101-R105 WeakPolarHBondContact O-CB 3.15Å; K101-R105 PolarHBondContact O-N 3.28Å; K101-R105 VanDerWaalsContact O-N 3.12Å; K101-K307 PolarHBondContact NZ-O 2.86Å; K101-K307 VanDerWaalsContact NZ-O 3.09Å
102	D	84.7	Confident	82.3	Confident	30 Å²	30	75.7 Å²	75.7	16%	0.16	35%	0.349	C	S	.	.	H	α-helix	trans	-68.2	-44.8	175.4	-162.6	50.5	0	0	0	112	E98 K99 C100 E104 R105 H106 K311	E98-D102 PolarHBondContact O-N 2.7Å; E98-D102 VanDerWaalsContact O-N 3.11Å; K99-D102 PolarHBondContact O-N 3.02Å; C100-D102 VanDerWaalsContact C-N 3.28Å; C100-D102 PolarHBondContact O-N 3.33Å; D102-E104 PolarHBondContact O-N 2.9Å; D102-R105 PolarHBondContact O-N 3.43Å; D102-H106 WeakPolarHBondContact O-CB 3.37Å; D102-H106 PolarHBondContact O-N 3.26Å; D102-K311 WeakPolarHBondContact OD2-CE 3.4Å; D102-K311 IonicContact OD2-NZ 2.68Å
103	R	86.6	Confident	82.9	Confident	195 Å²	195	78.4 Å²	78.4	74%	0.736	36%	0.358	S	S	*	.	H	α-helix	trans	-59	-45.4	176.8	-73.6	175.9	69.8	153.5	1.8	111.7	K99 C100 H106 R107	K99-R103 WeakPolarHBondContact O-CG 3.39Å; K99-R103 PolarHBondContact O-N 3.47Å; C100-R103 PolarHBondContact O-N 3Å; R103-H106 PolarHBondContact O-N 2.9Å; R103-R107 WeakPolarHBondContact O-CB 3.5Å; R103-R107 PolarHBondContact O-N 3.13Å
104	E	83.9	Confident	83	Confident	90 Å²	90	87.5 Å²	87.5	42%	0.421	40%	0.397	S	S	.	.	H	α-helix	trans	-66.1	-42.2	179.6	-162.2	-169.7	157.4	0	0	111.7	C100 D102 H106 R107 K108	C100-E104 PolarHBondContact O-N 3.19Å; D102-E104 PolarHBondContact O-N 2.9Å; E104-H106 VanDerWaalsContact C-N 3.33Å; E104-H106 PolarHBondContact O-N 3.05Å; E104-R107 PolarHBondContact O-N 2.82Å; E104-K108 WeakPolarHBondContact O-CG 3.38Å; E104-K108 PolarHBondContact O-N 2.81Å; E104-K108 WeakPolarHBondContact OE1-CE 3.46Å; E104-K108 IonicContact OE1-NZ 2.76Å; E104-K108 PolarHBondContact OE1-NZ 2.82Å
105	R	85.3	Confident	83.5	Confident	89 Å²	89	92.1 Å²	92.1	34%	0.336	42%	0.418	S	S	.	.	H	α-helix	trans	-59.5	-44.5	173.1	179.4	178.2	177.9	-106	-8.5	111.3	K101 D102 K108 I109 D126	K101-R105 WeakPolarHBondContact O-CB 3.15Å; K101-R105 PolarHBondContact O-N 3.28Å; K101-R105 VanDerWaalsContact O-N 3.12Å; D102-R105 PolarHBondContact O-N 3.43Å; R105-K108 PolarHBondContact O-N 2.98Å; R105-I109 HydrophobicContact CG-CD1 4Å; R105-I109 WeakPolarHBondContact O-CG1 3.42Å; R105-I109 PolarHBondContact O-N 3.46Å; R105-D126 IonicContact CZ-OD1 3.94Å; R105-D126 IonicContact NH1-OD1 3.09Å; R105-D126 PolarHBondContact NH1-OD1 2.84Å; R105-D126 IonicContact NH2-OD1 3.75Å; R105-D126 PolarHBondContact NH2-OD1 2.82Å
106	H	86	Confident	84	Confident	88 Å²	88	93.2 Å²	93.2	41%	0.407	43%	0.431	S	S	.	.	H	α-helix	trans	-65.9	-41	179.8	-161.5	64.8	0	0	0	111.8	D102 R103 E104 K108 I109 N110	D102-H106 WeakPolarHBondContact O-CB 3.37Å; D102-H106 PolarHBondContact O-N 3.26Å; R103-H106 PolarHBondContact O-N 2.9Å; E104-H106 VanDerWaalsContact C-N 3.33Å; E104-H106 PolarHBondContact O-N 3.05Å; H106-K108 PolarHBondContact O-N 2.91Å; H106-I109 PolarHBondContact O-N 2.93Å; H106-N110 PolarHBondContact CD2-ND2 3.25Å; H106-N110 PolarHBondContact NE2-ND2 3.31Å; H106-N110 WeakPolarHBondContact O-CB 3.44Å; H106-N110 PolarHBondContact O-N 3.23Å
107	R	87.8	Confident	84.4	Confident	163 Å²	163	93.9 Å²	93.9	62%	0.615	44%	0.444	S	S	*	.	H	α-helix	trans	-59.1	-46.6	173.5	-170.5	176.8	74.8	178.4	1.6	111.6	R103 E104 I109 N110 S111	R103-R107 WeakPolarHBondContact O-CB 3.5Å; R103-R107 PolarHBondContact O-N 3.13Å; E104-R107 PolarHBondContact O-N 2.82Å; R107-I109 VanDerWaalsContact C-N 3.34Å; R107-I109 PolarHBondContact O-N 2.78Å; R107-N110 PolarHBondContact O-N 3.03Å; R107-S111 PolarHBondContact O-N 2.83Å; R107-S111 PolarHBondContact O-OG 2.91Å
108	K	87.1	Confident	84.9	Confident	108 Å²	108	99.1 Å²	99.1	47%	0.47	46%	0.464	S	S	.	.	H	α-helix	trans	-61.2	-39.7	177.8	-73.7	174.6	-176.4	170.8	0	112.6	E104 R105 H106 S111 K112	E104-K108 WeakPolarHBondContact O-CG 3.38Å; E104-K108 PolarHBondContact O-N 2.81Å; E104-K108 WeakPolarHBondContact OE1-CE 3.46Å; E104-K108 IonicContact OE1-NZ 2.76Å; E104-K108 PolarHBondContact OE1-NZ 2.82Å; R105-K108 PolarHBondContact O-N 2.98Å; H106-K108 PolarHBondContact O-N 2.91Å; K108-S111 PolarHBondContact O-OG 2.81Å; K108-S111 VanDerWaalsContact O-OG 3.05Å; K108-K112 WeakPolarHBondContact O-CB 3.43Å; K108-K112 WeakPolarHBondContact O-CG 3.41Å; K108-K112 PolarHBondContact O-N 3.29Å
109	I	86.6	Confident	85.1	Confident	16 Å²	16	99.5 Å²	99.5	8%	0.082	47%	0.465	C	S	.	.	H	α-helix	trans	-69.6	-43.1	177.2	-67.3	167.2	0	0	0	110.4	R105 H106 R107 K112 K113 D126	R105-I109 HydrophobicContact CG-CD1 4Å; R105-I109 WeakPolarHBondContact O-CG1 3.42Å; R105-I109 PolarHBondContact O-N 3.46Å; H106-I109 PolarHBondContact O-N 2.93Å; R107-I109 VanDerWaalsContact C-N 3.34Å; R107-I109 PolarHBondContact O-N 2.78Å; I109-K112 PolarHBondContact O-N 3.43Å; I109-K113 PolarHBondContact O-N 3.48Å; I109-D126 HydrophobicContact CD1-CB 4.48Å
110	N	85.8	Confident	85.4	Confident	71 Å²	71	99.4 Å²	99.4	38%	0.38	47%	0.465	S	S	.	.	H	α-helix	trans	-70.5	-32.9	-179.3	-77	-9.7	0	0	0	113.2	H106 R107 K113	H106-N110 PolarHBondContact CD2-ND2 3.25Å; H106-N110 PolarHBondContact NE2-ND2 3.31Å; H106-N110 WeakPolarHBondContact O-CB 3.44Å; H106-N110 PolarHBondContact O-N 3.23Å; R107-N110 PolarHBondContact O-N 3.03Å; N110-K113 WeakPolarHBondContact O-CB 3.3Å
111	S	88.1	Confident	85.7	Confident	69 Å²	69	99.5 Å²	99.5	48%	0.483	46%	0.464	S	S	.	.	H	α-helix	trans	-67.2	-44.8	174.3	65.9	0	0	0	0	111.2	R107 K108 K113	R107-S111 PolarHBondContact O-N 2.83Å; R107-S111 PolarHBondContact O-OG 2.91Å; K108-S111 PolarHBondContact O-OG 2.81Å; K108-S111 VanDerWaalsContact O-OG 3.05Å; S111-K113 VanDerWaalsContact C-N 3.31Å; S111-K113 PolarHBondContact O-N 2.82Å
112	K	86.4	Confident	86	Confident	102 Å²	102	99 Å²	99	44%	0.443	46%	0.461	S	S	.	.	H	α-helix	trans	-74.8	-16.3	-179.6	-66.9	-171.1	175.5	-165	0	114.2	K108 I109 K114 E115 E119	K108-K112 WeakPolarHBondContact O-CB 3.43Å; K108-K112 WeakPolarHBondContact O-CG 3.41Å; K108-K112 PolarHBondContact O-N 3.29Å; I109-K112 PolarHBondContact O-N 3.43Å; K112-K114 PolarHBondContact O-N 3.12Å; K112-K114 VanDerWaalsContact O-N 3.08Å; K112-E115 WeakPolarHBondContact O-CB 3.03Å; K112-E115 PolarHBondContact O-N 2.87Å; K112-E119 HydrophobicContact CB-CB 4.42Å; K112-E119 HydrophobicContact CB-CG 4.31Å; K112-E119 WeakPolarHBondContact O-CB 3.42Å
113	K	82.1	Confident	86.1	Confident	87 Å²	87	98.2 Å²	98.2	38%	0.378	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-31	178.3	-177.3	-179	178.4	-179.2	0	113.3	I109 N110 S111 F120	I109-K113 PolarHBondContact O-N 3.48Å; N110-K113 WeakPolarHBondContact O-CB 3.3Å; S111-K113 VanDerWaalsContact C-N 3.31Å; S111-K113 PolarHBondContact O-N 2.82Å; K113-F120 HydrophobicContact CD-CD2 4.17Å; K113-F120 HydrophobicContact CG-CB 4.48Å; K113-F120 HydrophobicContact CG-CD2 3.8Å
114	K	82	Confident	86.1	Confident	200 Å²	200	94.1 Å²	94.1	87%	0.87	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.5	-178.5	-65.6	-175.6	-180	-179.8	0	113.7	K112	K112-K114 PolarHBondContact O-N 3.12Å; K112-K114 VanDerWaalsContact O-N 3.08Å
115	E	85.5	Confident	86.3	Confident	142 Å²	142	95.2 Å²	95.2	66%	0.664	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-30.8	-172.3	-62.8	174.1	177.1	0	0	112.7	K112	K112-E115 WeakPolarHBondContact O-CB 3.03Å; K112-E115 PolarHBondContact O-N 2.87Å
116	S	88.4	Confident	86.4	Confident	62 Å²	62	91.4 Å²	91.4	43%	0.434	44%	0.438	S	S	.	.			trans	-155.4	149.4	-175.9	179.1	0	0	0	0	113.4	W118 E119 F120	S116-W118 PolarHBondContact O-N 3.33Å; S116-W118 PolarHBondContact OG-N 2.89Å; S116-E119 PolarHBondContact O-N 3.24Å; S116-F120 PolarHBondContact O-N 3.3Å
117	A	86.9	Confident	86.3	Confident	80 Å²	80	90.1 Å²	90.1	66%	0.661	44%	0.442	S	S	*	.	H	α-helix	trans	-59.6	-31.7	172	0	0	0	0	0	112.6	F120 T121	A117-F120 WeakPolarHBondContact O-CB 3.19Å; A117-F120 PolarHBondContact O-N 2.93Å; A117-T121 PolarHBondContact O-N 3.24Å; A117-T121 PolarHBondContact O-OG1 3.37Å
118	W	86.2	Confident	86.4	Confident	189 Å²	189	89.7 Å²	89.7	72%	0.716	44%	0.441	S	S	*	.	H	α-helix	trans	-70.4	-38.9	175.7	-179.2	-104.9	0	0	0	112.7	S116 F120 T121 K122	S116-W118 PolarHBondContact O-N 3.33Å; S116-W118 PolarHBondContact OG-N 2.89Å; W118-F120 VanDerWaalsContact C-N 3.31Å; W118-T121 WeakPolarHBondContact CA-OG1 3.2Å; W118-T121 PolarHBondContact O-N 3.12Å; W118-T121 PolarHBondContact O-OG1 3.31Å; W118-K122 WeakPolarHBondContact O-CB 3.28Å; W118-K122 PolarHBondContact O-N 2.92Å
119	E	87.3	Confident	86.6	Confident	34 Å²	34	84.6 Å²	84.6	16%	0.159	42%	0.419	C	S	.	.	H	α-helix	trans	-72.6	-29.2	175	-71.3	-65.3	147.3	0	0	111.1	K112 S116 K122 S123	K112-E119 HydrophobicContact CB-CB 4.42Å; K112-E119 HydrophobicContact CB-CG 4.31Å; K112-E119 WeakPolarHBondContact O-CB 3.42Å; S116-E119 PolarHBondContact O-N 3.24Å; E119-K122 IonicContact OE1-NZ 3.22Å; E119-K122 PolarHBondContact OE1-NZ 3.13Å; E119-K122 WeakPolarHBondContact OE2-CD 3.26Å; E119-K122 IonicContact OE2-NZ 3.99Å; E119-K122 PolarHBondContact OE2-NZ 3.21Å; E119-S123 WeakPolarHBondContact O-CB 3.33Å; E119-S123 PolarHBondContact O-N 2.83Å
120	F	86.3	Confident	86.7	Confident	100 Å²	100	83.9 Å²	83.9	44%	0.439	42%	0.415	S	S	.	.	H	α-helix	trans	-63.7	-47.6	168.7	-178	-91.5	0	0	0	112.7	K113 S116 A117 W118 K122 S123 L124	K113-F120 HydrophobicContact CD-CD2 4.17Å; K113-F120 HydrophobicContact CG-CB 4.48Å; K113-F120 HydrophobicContact CG-CD2 3.8Å; S116-F120 PolarHBondContact O-N 3.3Å; A117-F120 WeakPolarHBondContact O-CB 3.19Å; A117-F120 PolarHBondContact O-N 2.93Å; W118-F120 VanDerWaalsContact C-N 3.31Å; F120-K122 VanDerWaalsContact C-N 3.33Å; F120-K122 PolarHBondContact O-N 2.88Å; F120-S123 WeakPolarHBondContact O-CB 3.46Å; F120-S123 PolarHBondContact O-N 3.04Å; F120-L124 PolarHBondContact O-N 3.3Å
121	T	87.4	Confident	87.1	Confident	70 Å²	70	85.1 Å²	85.1	43%	0.429	41%	0.414	S	S	.	.	H	α-helix	trans	-65	-37.3	177.4	51.1	0	0	0	0	112	A117 W118 L124 Y125	A117-T121 PolarHBondContact O-N 3.24Å; A117-T121 PolarHBondContact O-OG1 3.37Å; W118-T121 WeakPolarHBondContact CA-OG1 3.2Å; W118-T121 PolarHBondContact O-N 3.12Å; W118-T121 PolarHBondContact O-OG1 3.31Å; T121-L124 PolarHBondContact O-N 3.31Å; T121-Y125 WeakPolarHBondContact O-CB 3.49Å; T121-Y125 PolarHBondContact O-N 2.79Å
122	K	85.8	Confident	87.4	Confident	94 Å²	94	83.6 Å²	83.6	41%	0.409	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-39.4	173.5	-173	-174.6	-178.9	-176.4	0	112.8	W118 E119 F120 Y125 D126	W118-K122 WeakPolarHBondContact O-CB 3.28Å; W118-K122 PolarHBondContact O-N 2.92Å; E119-K122 IonicContact OE1-NZ 3.22Å; E119-K122 PolarHBondContact OE1-NZ 3.13Å; E119-K122 WeakPolarHBondContact OE2-CD 3.26Å; E119-K122 IonicContact OE2-NZ 3.99Å; E119-K122 PolarHBondContact OE2-NZ 3.21Å; F120-K122 VanDerWaalsContact C-N 3.33Å; F120-K122 PolarHBondContact O-N 2.88Å; K122-Y125 PolarHBondContact O-N 2.79Å; K122-D126 PolarHBondContact O-N 3.24Å
123	S	85.8	Confident	87.8	Confident	13 Å²	13	78.8 Å²	78.8	9%	0.091	38%	0.379	C	S	.	.	H	α-helix	trans	-62.6	-44.5	172.9	177	0	0	0	0	111.4	E119 F120 D126 A127	E119-S123 WeakPolarHBondContact O-CB 3.33Å; E119-S123 PolarHBondContact O-N 2.83Å; F120-S123 WeakPolarHBondContact O-CB 3.46Å; F120-S123 PolarHBondContact O-N 3.04Å; S123-D126 PolarHBondContact O-N 3.45Å; S123-A127 PolarHBondContact O-N 3.4Å
124	L	87.3	Confident	88.4	Confident	109 Å²	109	74.7 Å²	74.7	57%	0.571	36%	0.362	S	S	*	.	H	α-helix	trans	-63.5	-42.6	176.3	-170.3	67.3	0	0	0	111.8	F120 T121 A127 W128	F120-L124 PolarHBondContact O-N 3.3Å; T121-L124 PolarHBondContact O-N 3.31Å; L124-A127 PolarHBondContact O-N 2.99Å; L124-W128 WeakPolarHBondContact O-CB 3.48Å; L124-W128 PolarHBondContact O-N 3.45Å
125	Y	88	Confident	89.1	Confident	114 Å²	114	67.1 Å²	67.1	45%	0.447	33%	0.333	S	S	.	.	H	α-helix	trans	-61.5	-43	174.4	175.9	-97	0	0	0	112	T121 K122 A127 W128 S129 F302	T121-Y125 WeakPolarHBondContact O-CB 3.49Å; T121-Y125 PolarHBondContact O-N 2.79Å; K122-Y125 PolarHBondContact O-N 2.79Å; Y125-A127 VanDerWaalsContact C-N 3.32Å; Y125-A127 PolarHBondContact O-N 3.17Å; Y125-W128 PolarHBondContact O-N 3.28Å; Y125-S129 WeakPolarHBondContact O-CA 3.39Å; Y125-S129 VanDerWaalsContact O-CB 3.25Å; Y125-S129 WeakPolarHBondContact O-CB 3.4Å; Y125-S129 PolarHBondContact O-N 3.41Å; Y125-F302 HydrophobicContact CE1-CD1 4.49Å; Y125-F302 HydrophobicContact CE2-CE1 4.25Å; Y125-F302 AromaticContact CZ-CD1 3.93Å; Y125-F302 AromaticContact CZ-CE1 3.85Å; Y125-F302 WeakPolarHBondContact OH-CD1 3.48Å; Y125-F302 WeakPolarHBondContact OH-CE1 3.19Å
126	D	86.8	Confident	89.7	Confident	9 Å²	9	63 Å²	63	5%	0.048	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-37.6	177.2	-168.4	85.1	0	0	0	111.9	R105 I109 K122 S123 S129 K304	R105-D126 IonicContact CZ-OD1 3.94Å; R105-D126 IonicContact NH1-OD1 3.09Å; R105-D126 PolarHBondContact NH1-OD1 2.84Å; R105-D126 IonicContact NH2-OD1 3.75Å; R105-D126 PolarHBondContact NH2-OD1 2.82Å; I109-D126 HydrophobicContact CD1-CB 4.48Å; K122-D126 PolarHBondContact O-N 3.24Å; S123-D126 PolarHBondContact O-N 3.45Å; D126-S129 PolarHBondContact O-OG 2.98Å; D126-K304 PolarHBondContact O-NZ 2.94Å; D126-K304 WeakPolarHBondContact OD1-CD 3.3Å; D126-K304 IonicContact OD1-NZ 3.74Å; D126-K304 IonicContact OD2-NZ 3.55Å; D126-K304 PolarHBondContact OD2-NZ 3.41Å
127	A	85.7	Confident	90.1	Very high	60 Å²	60	60.1 Å²	60.1	50%	0.496	29%	0.294	S	S	.	.	H	α-helix	trans	-65.2	-43.4	174	0	0	0	0	0	112.2	S123 L124 Y125	S123-A127 PolarHBondContact O-N 3.4Å; L124-A127 PolarHBondContact O-N 2.99Å; Y125-A127 VanDerWaalsContact C-N 3.32Å; Y125-A127 PolarHBondContact O-N 3.17Å
128	W	89.4	Confident	90.5	Very high	155 Å²	155	56.3 Å²	56.3	59%	0.587	26%	0.263	S	S	*	.	H	α-helix	trans	-79.9	-25.8	-177.4	-167.3	53.2	0	0	0	114	L124 Y125 G130 W131 L132	L124-W128 WeakPolarHBondContact O-CB 3.48Å; L124-W128 PolarHBondContact O-N 3.45Å; Y125-W128 PolarHBondContact O-N 3.28Å; W128-G130 PolarHBondContact O-N 3.37Å; W128-W131 PolarHBondContact O-N 2.91Å; W128-L132 HydrophobicContact CE3-CD1 3.93Å; W128-L132 HydrophobicContact CH2-CD1 4.06Å; W128-L132 HydrophobicContact CH2-CG 4.49Å; W128-L132 HydrophobicContact CZ3-CD1 3.59Å; W128-L132 HydrophobicContact CZ3-CG 4.43Å; W128-L132 PolarHBondContact O-N 3.36Å; W128-L132 VanDerWaalsContact O-N 3.1Å
129	S	90.4	Very high	91.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	25%	0.248	C	C	.	.	H	α-helix	trans	-51.2	-36.3	-175.9	62.6	0	0	0	0	113.7	Y125 D126 L132 V133 K304	Y125-S129 WeakPolarHBondContact O-CA 3.39Å; Y125-S129 VanDerWaalsContact O-CB 3.25Å; Y125-S129 WeakPolarHBondContact O-CB 3.4Å; Y125-S129 PolarHBondContact O-N 3.41Å; D126-S129 PolarHBondContact O-OG 2.98Å; S129-L132 PolarHBondContact O-N 3.39Å; S129-V133 VanDerWaalsContact O-CG2 3.24Å; S129-V133 WeakPolarHBondContact O-CG2 3.02Å; S129-V133 PolarHBondContact O-N 2.88Å; S129-K304 WeakPolarHBondContact OG-CD 3.45Å
130	G	89.8	Confident	91.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-39.4	178.5	0	0	0	0	0	114	W128 V134 Y305	W128-G130 PolarHBondContact O-N 3.37Å; G130-V134 WeakPolarHBondContact O-CB 3.45Å; G130-V134 WeakPolarHBondContact O-CG2 3.35Å; G130-V134 PolarHBondContact O-N 3.32Å; G130-Y305 WeakPolarHBondContact CA-OH 3.27Å
131	W	93.4	Very high	92	Very high	98 Å²	98	45.8 Å²	45.8	37%	0.371	23%	0.229	S	C	.	.	H	α-helix	trans	-68.1	-43	174.9	-68.2	99.5	0	0	0	110.6	W128 V133 V134 T135 F356	W128-W131 PolarHBondContact O-N 2.91Å; W131-V133 PolarHBondContact O-N 2.99Å; W131-V134 PolarHBondContact O-N 2.9Å; W131-T135 PolarHBondContact O-N 2.81Å; W131-T135 PolarHBondContact O-OG1 3.32Å; W131-F356 HydrophobicContact CE3-CB 4.31Å; W131-F356 AromaticContact CE3-CD1 3.69Å; W131-F356 HydrophobicContact CE3-CD1 3.69Å; W131-F356 HydrophobicContact CE3-CE1 4.13Å; W131-F356 AromaticContact CE3-CG 3.98Å; W131-F356 HydrophobicContact CE3-CG 3.98Å; W131-F356 HydrophobicContact CZ3-CB 3.69Å; W131-F356 AromaticContact CZ3-CD1 3.93Å; W131-F356 HydrophobicContact CZ3-CD1 3.93Å; W131-F356 HydrophobicContact CZ3-CD2 4.3Å; W131-F356 AromaticContact CZ3-CG 3.71Å; W131-F356 HydrophobicContact CZ3-CG 3.71Å
132	L	94.4	Very high	92.4	Very high	37 Å²	37	42.4 Å²	42.4	19%	0.194	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-47	179.1	-164.1	172	0	0	0	112	W128 S129 V134 T135 L136 F302	W128-L132 HydrophobicContact CE3-CD1 3.93Å; W128-L132 HydrophobicContact CH2-CD1 4.06Å; W128-L132 HydrophobicContact CH2-CG 4.49Å; W128-L132 HydrophobicContact CZ3-CD1 3.59Å; W128-L132 HydrophobicContact CZ3-CG 4.43Å; W128-L132 PolarHBondContact O-N 3.36Å; W128-L132 VanDerWaalsContact O-N 3.1Å; S129-L132 PolarHBondContact O-N 3.39Å; L132-V134 VanDerWaalsContact C-N 3.29Å; L132-V134 PolarHBondContact O-N 3.42Å; L132-T135 PolarHBondContact O-N 2.89Å; L132-L136 HydrophobicContact CD2-CD1 3.37Å; L132-L136 HydrophobicContact CD2-CG 3.8Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.19Å; L132-F302 HydrophobicContact CD1-CE1 4.24Å; L132-F302 HydrophobicContact CD1-CZ 4.15Å; L132-F302 HydrophobicContact CD2-CE1 4.24Å; L132-F302 HydrophobicContact CD2-CE2 4.12Å; L132-F302 HydrophobicContact CD2-CZ 3.41Å; L132-F302 VanDerWaalsContact CD2-CZ 3.41Å; L132-F302 HydrophobicContact CG-CZ 4.25Å
133	V	95.1	Very high	92.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-44.3	176.8	170.5	0	0	0	0	111.4	S129 W131 L136 T137 F302 Y305 V315	S129-V133 VanDerWaalsContact O-CG2 3.24Å; S129-V133 WeakPolarHBondContact O-CG2 3.02Å; S129-V133 PolarHBondContact O-N 2.88Å; W131-V133 PolarHBondContact O-N 2.99Å; V133-L136 PolarHBondContact O-N 3.43Å; V133-T137 WeakPolarHBondContact O-CB 3.03Å; V133-T137 PolarHBondContact O-N 3.24Å; V133-T137 PolarHBondContact O-OG1 2.76Å; V133-F302 HydrophobicContact CG2-CB 4.18Å; V133-F302 HydrophobicContact CG2-CD1 4.25Å; V133-F302 HydrophobicContact CG2-CD2 3.12Å; V133-F302 HydrophobicContact CG2-CE2 3.47Å; V133-F302 VanDerWaalsContact CG2-CE2 3.47Å; V133-F302 HydrophobicContact CG2-CG 3.58Å; V133-F302 HydrophobicContact CG2-CZ 4.19Å; V133-Y305 HydrophobicContact CG2-CD2 3.97Å; V133-Y305 HydrophobicContact CG2-CE2 4.1Å; V133-V315 HydrophobicContact CG1-CB 4.42Å; V133-V315 HydrophobicContact CG1-CG1 3.57Å; V133-V315 HydrophobicContact CG1-CG2 3.92Å
134	V	95.4	Very high	93.3	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-41	-179.3	167.5	0	0	0	0	110.6	G130 W131 L132 T137 G138 A318 R353 F356 A357	G130-V134 WeakPolarHBondContact O-CB 3.45Å; G130-V134 WeakPolarHBondContact O-CG2 3.35Å; G130-V134 PolarHBondContact O-N 3.32Å; W131-V134 PolarHBondContact O-N 2.9Å; L132-V134 VanDerWaalsContact C-N 3.29Å; L132-V134 PolarHBondContact O-N 3.42Å; V134-T137 PolarHBondContact O-N 3.31Å; V134-G138 PolarHBondContact O-N 2.86Å; V134-A318 HydrophobicContact CG2-CB 4.38Å; V134-R353 HydrophobicContact CG1-CB 4.35Å; V134-R353 WeakPolarHBondContact CG1-O 3.36Å; V134-R353 HydrophobicContact CG2-CB 4.1Å; V134-R353 HydrophobicContact CG2-CG 4.45Å; V134-F356 HydrophobicContact CG1-CD1 4.15Å; V134-A357 HydrophobicContact CB-CB 4.45Å; V134-A357 HydrophobicContact CG1-CB 3.28Å
135	T	96.4	Very high	93.7	Very high	41 Å²	41	36.3 Å²	36.3	25%	0.252	19%	0.187	S	C	.	.	H	α-helix	trans	-59.1	-51.1	172.4	-50.1	0	0	0	0	111.6	W131 L132 T137 G138 L139 F356 V360	W131-T135 PolarHBondContact O-N 2.81Å; W131-T135 PolarHBondContact O-OG1 3.32Å; L132-T135 PolarHBondContact O-N 2.89Å; T135-T137 VanDerWaalsContact C-N 3.26Å; T135-T137 PolarHBondContact O-N 2.87Å; T135-G138 PolarHBondContact O-N 2.95Å; T135-L139 HydrophobicContact CG2-CD1 4.07Å; T135-L139 HydrophobicContact CG2-CG 4.29Å; T135-L139 WeakPolarHBondContact O-CB 3.47Å; T135-L139 VanDerWaalsContact O-CG 3.32Å; T135-L139 WeakPolarHBondContact O-CG 3.11Å; T135-L139 PolarHBondContact O-N 3.49Å; T135-F356 WeakPolarHBondContact OG1-CE1 3.38Å; T135-V360 HydrophobicContact CG2-CG1 4.37Å
136	L	96.8	Very high	93.9	Very high	54 Å²	54	30.9 Å²	30.9	28%	0.283	17%	0.165	S	C	.	.	H	α-helix	trans	-60.4	-39.3	179.6	-72.7	174.6	0	0	0	111.7	L132 V133 A140 F298 F302	L132-L136 HydrophobicContact CD2-CD1 3.37Å; L132-L136 HydrophobicContact CD2-CG 3.8Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.19Å; V133-L136 PolarHBondContact O-N 3.43Å; L136-A140 WeakPolarHBondContact O-CB 3.35Å; L136-A140 PolarHBondContact O-N 3.09Å; L136-F298 HydrophobicContact CB-CD1 4.16Å; L136-F298 HydrophobicContact CB-CD2 4.06Å; L136-F298 HydrophobicContact CB-CE1 4.33Å; L136-F298 HydrophobicContact CB-CE2 4.23Å; L136-F298 HydrophobicContact CB-CG 4.04Å; L136-F298 HydrophobicContact CB-CZ 4.36Å; L136-F298 HydrophobicContact CD1-CD1 4.22Å; L136-F298 WeakPolarHBondContact O-CE2 3.4Å; L136-F302 HydrophobicContact CD1-CE2 4.37Å
137	T	96.4	Very high	94.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-45.7	176.4	-55.9	0	0	0	0	111.1	V133 V134 T135 S141 A319	V133-T137 WeakPolarHBondContact O-CB 3.03Å; V133-T137 PolarHBondContact O-N 3.24Å; V133-T137 PolarHBondContact O-OG1 2.76Å; V134-T137 PolarHBondContact O-N 3.31Å; T135-T137 VanDerWaalsContact C-N 3.26Å; T135-T137 PolarHBondContact O-N 2.87Å; T137-S141 VanDerWaalsContact O-CB 3.27Å; T137-S141 WeakPolarHBondContact O-CB 3.4Å; T137-S141 PolarHBondContact O-N 3.09Å; T137-S141 PolarHBondContact O-OG 3.42Å; T137-A319 HydrophobicContact CG2-CB 3.65Å
138	G	97	Very high	94.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.5	-47.2	176.3	0	0	0	0	0	112.5	V134 T135 A140 S141 G142 A361	V134-G138 PolarHBondContact O-N 2.86Å; T135-G138 PolarHBondContact O-N 2.95Å; G138-A140 PolarHBondContact O-N 3.45Å; G138-S141 PolarHBondContact O-N 3.37Å; G138-G142 PolarHBondContact O-N 2.81Å; G138-A361 WeakPolarHBondContact O-CA 3.5Å; G138-A361 WeakPolarHBondContact O-CB 3.34Å
139	L	97.3	Very high	94.6	Very high	76 Å²	76	25.4 Å²	25.4	40%	0.398	14%	0.139	S	C	.	.	H	α-helix	trans	-57.6	-49.2	177.8	-71	174.9	0	0	0	112	T135 A143 V360 V364	T135-L139 HydrophobicContact CG2-CD1 4.07Å; T135-L139 HydrophobicContact CG2-CG 4.29Å; T135-L139 WeakPolarHBondContact O-CB 3.47Å; T135-L139 VanDerWaalsContact O-CG 3.32Å; T135-L139 WeakPolarHBondContact O-CG 3.11Å; T135-L139 PolarHBondContact O-N 3.49Å; L139-A143 WeakPolarHBondContact O-CB 3.48Å; L139-A143 PolarHBondContact O-N 3.37Å; L139-V360 HydrophobicContact CD2-CG1 3.75Å; L139-V360 HydrophobicContact CG-CG1 3.84Å; L139-V364 HydrophobicContact CD2-CG2 3.43Å; L139-V364 VanDerWaalsContact CD2-CG2 3.43Å
140	A	96.8	Very high	94.5	Very high	22 Å²	22	28.6 Å²	28.6	18%	0.182	16%	0.155	C	C	.	.	H	α-helix	trans	-68.3	-39	179.9	0	0	0	0	0	112.5	L136 G138 A143 L144 C294 F298	L136-A140 WeakPolarHBondContact O-CB 3.35Å; L136-A140 PolarHBondContact O-N 3.09Å; G138-A140 PolarHBondContact O-N 3.45Å; A140-A143 PolarHBondContact O-N 2.96Å; A140-L144 WeakPolarHBondContact O-CB 3.42Å; A140-L144 VanDerWaalsContact O-CG 3.31Å; A140-L144 WeakPolarHBondContact O-CG 3.12Å; A140-L144 PolarHBondContact O-N 3.43Å; A140-C294 HydrophobicContact CB-CB 4.37Å; A140-F298 HydrophobicContact CB-CE2 3.52Å; A140-F298 HydrophobicContact CB-CZ 3.81Å
141	S	95.9	Very high	94.6	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.028	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-43.8	179.3	-55.9	0	0	0	0	111.1	T137 G138 A145 A291	T137-S141 VanDerWaalsContact O-CB 3.27Å; T137-S141 WeakPolarHBondContact O-CB 3.4Å; T137-S141 PolarHBondContact O-N 3.09Å; T137-S141 PolarHBondContact O-OG 3.42Å; G138-S141 PolarHBondContact O-N 3.37Å; S141-A145 VanDerWaalsContact O-CB 3.26Å; S141-A145 WeakPolarHBondContact O-CB 3.35Å; S141-A145 PolarHBondContact O-N 2.96Å; S141-A291 WeakPolarHBondContact OG-CB 3.33Å
142	G	95.5	Very high	94.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.1	-43.3	174.9	0	0	0	0	0	113.1	G138 A145 G146	G138-G142 PolarHBondContact O-N 2.81Å; G142-A145 PolarHBondContact O-N 3.24Å; G142-G146 PolarHBondContact O-N 2.94Å
143	A	95.8	Very high	94.1	Very high	46 Å²	46	25 Å²	25	38%	0.38	15%	0.147	S	C	.	.	H	α-helix	trans	-65.8	-43	178.2	0	0	0	0	0	112.8	L139 A140 L147 V364 I368	L139-A143 WeakPolarHBondContact O-CB 3.48Å; L139-A143 PolarHBondContact O-N 3.37Å; A140-A143 PolarHBondContact O-N 2.96Å; A143-L147 WeakPolarHBondContact O-CB 3.38Å; A143-L147 PolarHBondContact O-N 2.93Å; A143-V364 HydrophobicContact CB-CG1 4.35Å; A143-I368 HydrophobicContact CB-CD1 4.46Å
144	L	95.8	Very high	93.8	Very high	41 Å²	41	28.6 Å²	28.6	22%	0.215	16%	0.16	C	C	.	.	H	α-helix	trans	-69.2	-38.1	177.5	-72.5	173.5	0	0	0	112.2	A140 L147 I148 L264 V290 C294	A140-L144 WeakPolarHBondContact O-CB 3.42Å; A140-L144 VanDerWaalsContact O-CG 3.31Å; A140-L144 WeakPolarHBondContact O-CG 3.12Å; A140-L144 PolarHBondContact O-N 3.43Å; L144-L147 PolarHBondContact O-N 3.26Å; L144-I148 WeakPolarHBondContact O-CB 3.46Å; L144-I148 WeakPolarHBondContact O-CD1 3.21Å; L144-I148 WeakPolarHBondContact O-CG1 3.4Å; L144-I148 PolarHBondContact O-N 3.45Å; L144-L264 HydrophobicContact CD1-CD1 4.15Å; L144-V290 HydrophobicContact CB-CG1 4.43Å; L144-V290 HydrophobicContact CD1-CG1 4.09Å; L144-C294 WeakPolarHBondContact CD1-SG 3.25Å
145	A	94.5	Very high	93.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-48.2	174.8	0	0	0	0	0	111.3	S141 G142 L147 I148 D149 L287 V326 L365	S141-A145 VanDerWaalsContact O-CB 3.26Å; S141-A145 WeakPolarHBondContact O-CB 3.35Å; S141-A145 PolarHBondContact O-N 2.96Å; G142-A145 PolarHBondContact O-N 3.24Å; A145-L147 VanDerWaalsContact C-N 3.28Å; A145-L147 PolarHBondContact O-N 3.21Å; A145-I148 PolarHBondContact O-N 3.35Å; A145-I148 VanDerWaalsContact O-N 3.07Å; A145-D149 PolarHBondContact O-N 2.72Å; A145-L287 HydrophobicContact CB-CD2 4.14Å; A145-V326 HydrophobicContact CB-CB 3.7Å; A145-V326 HydrophobicContact CB-CG1 4.49Å; A145-V326 HydrophobicContact CB-CG2 3.56Å; A145-L365 HydrophobicContact CB-CD1 4.38Å
146	G	92.3	Very high	93.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.9	-39	175.8	0	0	0	0	0	113	G142 D149 I150	G142-G146 PolarHBondContact O-N 2.94Å; G146-D149 PolarHBondContact O-N 3.43Å; G146-I150 VanDerWaalsContact O-CG1 3.3Å; G146-I150 WeakPolarHBondContact O-CG1 3.47Å; G146-I150 PolarHBondContact O-N 3.36Å; G146-I150 VanDerWaalsContact O-N 3.13Å
147	L	93.4	Very high	92.9	Very high	106 Å²	106	26.8 Å²	26.8	56%	0.555	15%	0.149	S	C	*	.	H	α-helix	trans	-64.6	-42.6	173.7	179.9	65.9	0	0	0	112.5	A143 L144 A145 A151	A143-L147 WeakPolarHBondContact O-CB 3.38Å; A143-L147 PolarHBondContact O-N 2.93Å; L144-L147 PolarHBondContact O-N 3.26Å; A145-L147 VanDerWaalsContact C-N 3.28Å; A145-L147 PolarHBondContact O-N 3.21Å; L147-A151 WeakPolarHBondContact O-CB 3.18Å; L147-A151 PolarHBondContact O-N 3.37Å; L147-A151 VanDerWaalsContact O-N 3.07Å
148	I	94	Very high	92.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-43.3	178.2	-73	160.6	0	0	0	110.3	L144 A145 A152 T268 L271 V272 K283 L287	L144-I148 WeakPolarHBondContact O-CB 3.46Å; L144-I148 WeakPolarHBondContact O-CD1 3.21Å; L144-I148 WeakPolarHBondContact O-CG1 3.4Å; L144-I148 PolarHBondContact O-N 3.45Å; A145-I148 PolarHBondContact O-N 3.35Å; A145-I148 VanDerWaalsContact O-N 3.07Å; I148-A152 WeakPolarHBondContact O-CB 3.33Å; I148-A152 PolarHBondContact O-N 2.88Å; I148-T268 HydrophobicContact CD1-CG2 4.04Å; I148-T268 HydrophobicContact CG1-CG2 3.87Å; I148-L271 HydrophobicContact CD1-CD2 4.26Å; I148-L271 HydrophobicContact CG2-CD2 4.1Å; I148-L271 HydrophobicContact CG2-CG 4.49Å; I148-V272 HydrophobicContact CG1-CG2 4.32Å; I148-V272 HydrophobicContact CG2-CG2 4.36Å; I148-K283 HydrophobicContact CG2-CD 4.19Å; I148-L287 HydrophobicContact CD1-CD2 3.49Å; I148-L287 VanDerWaalsContact CD1-CD2 3.49Å
149	D	89.9	Confident	92.2	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.011	15%	0.153	C	C	.	.	H	α-helix	trans	-64.9	-52.8	-177.8	-69.3	-5	0	0	0	111.1	A145 G146 A151 A152 D153 K283 P370 F371	A145-D149 PolarHBondContact O-N 2.72Å; G146-D149 PolarHBondContact O-N 3.43Å; D149-A151 VanDerWaalsContact C-N 3.31Å; D149-A151 PolarHBondContact O-N 3.49Å; D149-A152 PolarHBondContact O-N 2.98Å; D149-D153 PolarHBondContact O-N 3.31Å; D149-K283 VanDerWaalsContact CG-NZ 3.32Å; D149-K283 VanDerWaalsContact OD1-CD 3.25Å; D149-K283 WeakPolarHBondContact OD1-CD 3.36Å; D149-K283 WeakPolarHBondContact OD1-CE 3.37Å; D149-K283 IonicContact OD1-NZ 2.75Å; D149-K283 PolarHBondContact OD1-NZ 3.37Å; D149-K283 IonicContact OD2-NZ 3.2Å; D149-K283 PolarHBondContact OD2-NZ 3.48Å; D149-P370 HydrophobicContact CB-CB 4.1Å; D149-F371 HydrophobicContact CB-CE1 4.41Å
150	I	88.8	Confident	91.6	Very high	67 Å²	67	27.5 Å²	27.5	34%	0.344	15%	0.15	S	C	.	.	H	α-helix	trans	-58.4	-44.4	178.3	-65.6	167.4	0	0	0	111	G146 W154 I368 P370	G146-I150 VanDerWaalsContact O-CG1 3.3Å; G146-I150 WeakPolarHBondContact O-CG1 3.47Å; G146-I150 PolarHBondContact O-N 3.36Å; G146-I150 VanDerWaalsContact O-N 3.13Å; I150-W154 WeakPolarHBondContact O-CB 3.24Å; I150-W154 PolarHBondContact O-N 3.21Å; I150-W154 VanDerWaalsContact O-N 3.16Å; I150-I368 HydrophobicContact CD1-CG2 3.93Å; I150-P370 HydrophobicContact CD1-CB 4.31Å; I150-P370 HydrophobicContact CG1-CB 3.79Å
151	A	92.2	Very high	91.1	Very high	25 Å²	25	26.5 Å²	26.5	21%	0.207	14%	0.142	C	C	.	.	H	α-helix	trans	-72.3	-31.2	-178.7	0	0	0	0	0	112.8	L147 D149 M155 V272	L147-A151 WeakPolarHBondContact O-CB 3.18Å; L147-A151 PolarHBondContact O-N 3.37Å; L147-A151 VanDerWaalsContact O-N 3.07Å; D149-A151 VanDerWaalsContact C-N 3.31Å; D149-A151 PolarHBondContact O-N 3.49Å; A151-M155 WeakPolarHBondContact O-CB 3.4Å; A151-M155 WeakPolarHBondContact O-CG 3.47Å; A151-M155 PolarHBondContact O-N 2.89Å; A151-V272 HydrophobicContact CB-CG1 3.71Å; A151-V272 HydrophobicContact CB-CG2 4.44Å; A151-V272 WeakPolarHBondContact O-CG1 3.45Å
152	A	90.6	Very high	90.8	Very high	2 Å²	2	27.5 Å²	27.5	2%	0.017	15%	0.148	C	C	.	.	H	α-helix	trans	-71.2	-45.1	179.7	0	0	0	0	0	111	I148 D149 M155 N156 V272 V275	I148-A152 WeakPolarHBondContact O-CB 3.33Å; I148-A152 PolarHBondContact O-N 2.88Å; D149-A152 PolarHBondContact O-N 2.98Å; A152-M155 PolarHBondContact O-N 2.92Å; A152-N156 VanDerWaalsContact O-CB 3.23Å; A152-N156 WeakPolarHBondContact O-CB 3.49Å; A152-N156 PolarHBondContact O-N 3.29Å; A152-V272 HydrophobicContact CB-CG1 3.77Å; A152-V275 HydrophobicContact CB-CG1 4.46Å
153	D	86.2	Confident	90.3	Very high	32 Å²	32	27.7 Å²	27.7	17%	0.171	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-47.7	178.4	-65.9	-22.1	0	0	0	110.2	D149 M155 N156 D157	D149-D153 PolarHBondContact O-N 3.31Å; D153-M155 PolarHBondContact O-N 3.47Å; D153-N156 PolarHBondContact O-N 3Å; D153-D157 VanDerWaalsContact O-CG 3.28Å; D153-D157 PolarHBondContact O-N 3.29Å
154	W	88.2	Confident	89.6	Confident	77 Å²	77	30.3 Å²	30.3	29%	0.292	16%	0.156	S	C	.	.	H	α-helix	trans	-56.2	-49.1	175.3	169.2	59.3	0	0	0	113.1	I150 N156 D157 L158 M167	I150-W154 WeakPolarHBondContact O-CB 3.24Å; I150-W154 PolarHBondContact O-N 3.21Å; I150-W154 VanDerWaalsContact O-N 3.16Å; W154-N156 VanDerWaalsContact C-N 3.31Å; W154-N156 PolarHBondContact O-N 3.45Å; W154-D157 PolarHBondContact O-N 3.45Å; W154-L158 HydrophobicContact CZ2-CD1 4.07Å; W154-L158 PolarHBondContact O-N 3.05Å; W154-M167 PolarHBondContact NE1-O 2.68Å
155	M	91.2	Very high	88.9	Confident	26 Å²	26	31.5 Å²	31.5	13%	0.128	17%	0.168	C	C	.	.	H	α-helix	trans	-71.6	-26	-179.8	-74.4	-163.9	-68.5	0	0	113.3	A151 A152 D153 L158 F223 V272 L273 A276	A151-M155 WeakPolarHBondContact O-CB 3.4Å; A151-M155 WeakPolarHBondContact O-CG 3.47Å; A151-M155 PolarHBondContact O-N 2.89Å; A152-M155 PolarHBondContact O-N 2.92Å; D153-M155 PolarHBondContact O-N 3.47Å; M155-L158 HydrophobicContact CG-CD1 4.47Å; M155-F223 HydrophobicContact CB-CZ 4.46Å; M155-F223 VanDerWaalsContact O-CE2 3.31Å; M155-F223 WeakPolarHBondContact O-CE2 3.42Å; M155-V272 HydrophobicContact CE-CB 3.45Å; M155-V272 VanDerWaalsContact CE-CB 3.45Å; M155-V272 HydrophobicContact CE-CG1 3.03Å; M155-L273 HydrophobicContact CE-CD2 4.09Å; M155-L273 HydrophobicContact CE-CG 4.49Å; M155-L273 HydrophobicContact SD-CD2 3.84Å; M155-A276 HydrophobicContact CB-CB 3.59Å
156	N	89.5	Confident	88.3	Confident	10 Å²	10	32.1 Å²	32.1	5%	0.053	17%	0.173	C	C	.	.	H	α-helix	trans	-66.7	-43.9	172.9	180	72.2	0	0	0	111	A152 D153 W154 L158 K159	A152-N156 VanDerWaalsContact O-CB 3.23Å; A152-N156 WeakPolarHBondContact O-CB 3.49Å; A152-N156 PolarHBondContact O-N 3.29Å; D153-N156 PolarHBondContact O-N 3Å; W154-N156 VanDerWaalsContact C-N 3.31Å; W154-N156 PolarHBondContact O-N 3.45Å; N156-L158 VanDerWaalsContact C-N 3.27Å; N156-L158 PolarHBondContact O-N 3.12Å; N156-K159 WeakPolarHBondContact O-CB 3.39Å; N156-K159 WeakPolarHBondContact O-CE 3.45Å; N156-K159 PolarHBondContact O-N 3.08Å; N156-K159 VanDerWaalsContact O-N 3.15Å; N156-K159 WeakPolarHBondContact OD1-CE 3.46Å; N156-K159 PolarHBondContact OD1-NZ 2.98Å
157	D	88.7	Confident	87.8	Confident	22 Å²	22	38.2 Å²	38.2	12%	0.118	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-27.8	-177.5	-63.6	-7.1	0	0	0	112.8	D153 W154 K159 E160 G161 N170 H171 W192	D153-D157 VanDerWaalsContact O-CG 3.28Å; D153-D157 PolarHBondContact O-N 3.29Å; W154-D157 PolarHBondContact O-N 3.45Å; D157-K159 PolarHBondContact O-N 3.41Å; D157-E160 PolarHBondContact O-N 3.39Å; D157-G161 PolarHBondContact O-N 3.34Å; D157-N170 WeakPolarHBondContact OD2-CA 3.38Å; D157-N170 VanDerWaalsContact OD2-CB 3.32Å; D157-N170 WeakPolarHBondContact OD2-CB 3.47Å; D157-H171 PolarHBondContact OD2-N 3.26Å; D157-W192 HydrophobicContact CB-CH2 3.68Å; D157-W192 HydrophobicContact CB-CZ2 4.13Å
158	L	89.6	Confident	87.2	Confident	18 Å²	18	41.7 Å²	41.7	9%	0.094	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-20.7	172.8	-74	177.2	0	0	0	113.6	W154 M155 N156 E160 G161 V162 W195 F223	W154-L158 HydrophobicContact CZ2-CD1 4.07Å; W154-L158 PolarHBondContact O-N 3.05Å; M155-L158 HydrophobicContact CG-CD1 4.47Å; N156-L158 VanDerWaalsContact C-N 3.27Å; N156-L158 PolarHBondContact O-N 3.12Å; L158-E160 VanDerWaalsContact C-N 3.34Å; L158-G161 WeakPolarHBondContact CA-O 3.48Å; L158-V162 HydrophobicContact CD2-CG2 3.93Å; L158-W195 PolarHBondContact O-NE1 3.15Å; L158-F223 HydrophobicContact CB-CZ 4.49Å; L158-F223 HydrophobicContact CD1-CZ 4.32Å
159	K	89.4	Confident	86.5	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.017	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-29.1	174	-67.4	-179.4	-64.9	-167	0	112.9	N156 D157 Y216 W219 A220 F223 A276	N156-K159 WeakPolarHBondContact O-CB 3.39Å; N156-K159 WeakPolarHBondContact O-CE 3.45Å; N156-K159 PolarHBondContact O-N 3.08Å; N156-K159 VanDerWaalsContact O-N 3.15Å; N156-K159 WeakPolarHBondContact OD1-CE 3.46Å; N156-K159 PolarHBondContact OD1-NZ 2.98Å; D157-K159 PolarHBondContact O-N 3.41Å; K159-Y216 HydrophobicContact CB-CD2 3.73Å; K159-Y216 HydrophobicContact CB-CE2 4Å; K159-Y216 HydrophobicContact CB-CG 4.5Å; K159-Y216 HydrophobicContact CD-CD2 4.41Å; K159-Y216 HydrophobicContact CD-CE2 4.08Å; K159-W219 HydrophobicContact CG-CB 3.92Å; K159-A220 HydrophobicContact CD-CB 4.44Å; K159-F223 HydrophobicContact CG-CE2 4.47Å; K159-A276 VanDerWaalsContact CD-O 3.27Å; K159-A276 WeakPolarHBondContact CD-O 3.39Å; K159-A276 WeakPolarHBondContact CE-O 3.35Å; K159-A276 PolarHBondContact NZ-O 3.49Å
160	E	84.9	Confident	85.9	Confident	72 Å²	72	45.2 Å²	45.2	34%	0.336	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-36.6	-175.3	-59.5	-160.2	153.5	0	0	112.2	D157 L158 R451	D157-E160 PolarHBondContact O-N 3.39Å; L158-E160 VanDerWaalsContact C-N 3.34Å; E160-R451 IonicContact OE1-CZ 2.89Å; E160-R451 IonicContact OE1-NE 3.01Å; E160-R451 PolarHBondContact OE1-NE 3.24Å; E160-R451 VanDerWaalsContact OE1-NE 3.14Å
161	G	87.2	Confident	85.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.9	-169.7	-179.4	0	0	0	0	0	113.9	D157 L158 W192 K193	D157-G161 PolarHBondContact O-N 3.34Å; L158-G161 WeakPolarHBondContact CA-O 3.48Å; G161-W192 WeakPolarHBondContact O-CH2 3.2Å; G161-W192 WeakPolarHBondContact O-CZ2 3.3Å; G161-K193 VanDerWaalsContact CA-O 3.24Å; G161-K193 WeakPolarHBondContact CA-O 3.28Å
162	V	88.1	Confident	84.5	Confident	26 Å²	26	48.7 Å²	48.7	16%	0.158	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	145.4	178.2	-177.6	0	0	0	0	109.9	L158 M167 K193 W195	L158-V162 HydrophobicContact CD2-CG2 3.93Å; V162-M167 HydrophobicContact CG1-CG 4.22Å; V162-K193 PolarHBondContact N-O 3.33Å; V162-K193 PolarHBondContact O-N 2.86Å; V162-K193 VanDerWaalsContact O-N 3.1Å; V162-W195 HydrophobicContact CG2-CH2 3.56Å; V162-W195 HydrophobicContact CG2-CZ2 3.46Å; V162-W195 VanDerWaalsContact CG2-CZ2 3.46Å; V162-W195 HydrophobicContact CG2-CZ3 4.29Å
163	C	85.6	Confident	83.8	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.027	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128	171.1	-170.2	0	0	0	0	111.3	S165 A166 F169 C174 W192	C163-S165 PolarHBondContact SG-OG 3.05Å; C163-A166 WeakPolarHBondContact CB-O 3.19Å; C163-F169 HydrophobicContact CB-CB 4.42Å; C163-C174 HydrophobicContact CB-CB 3.68Å; C163-C174 WeakPolarHBondContact CB-SG 3.32Å; C163-C174 WeakPolarHBondContact SG-CB 3.16Å; C163-C174 CovalentContact SG-SG 2.03Å; C163-C174 PolarHBondContact SG-SG 3.28Å; C163-W192 HydrophobicContact CB-CE3 3.95Å; C163-W192 HydrophobicContact CB-CZ3 4.04Å
164	L	82.1	Confident	83.4	Confident	100 Å²	100	50.4 Å²	50.4	52%	0.524	24%	0.242	S	C	.	.	S	Bend	trans	-72.8	-28.5	-179.1	-71.6	178	0	0	0	113.9	Q191 K193 L198	L164-Q191 PolarHBondContact N-O 3.28Å; L164-K193 HydrophobicContact CD1-CG 3.67Å; L164-K193 HydrophobicContact CD2-CG 4.47Å; L164-K193 HydrophobicContact CG-CG 3.94Å; L164-L198 HydrophobicContact CD2-CD1 3.98Å
165	S	81.2	Confident	82.7	Confident	67 Å²	67	48.3 Å²	48.3	47%	0.469	24%	0.239	S	C	.	.	S	Bend	trans	-72.8	-47.2	-176.8	62.8	0	0	0	0	112	C163	C163-S165 PolarHBondContact SG-OG 3.05Å
166	A	81.8	Confident	81.5	Confident	13 Å²	13	58 Å²	58	11%	0.107	27%	0.274	C	S	.	.			trans	-148.9	131.6	169.3	0	0	0	0	0	110.9	C163 W168 F169	C163-A166 WeakPolarHBondContact CB-O 3.19Å; A166-W168 HydrophobicContact CB-CD2 4.12Å; A166-W168 HydrophobicContact CB-CH2 4.38Å; A166-W168 HydrophobicContact CB-CZ2 3.86Å; A166-W168 PolarHBondContact O-N 3.28Å; A166-W168 VanDerWaalsContact O-N 3.16Å; A166-F169 HydrophobicContact CB-CD2 3.59Å; A166-F169 HydrophobicContact CB-CE2 3.59Å; A166-F169 HydrophobicContact CB-CG 4.27Å; A166-F169 HydrophobicContact CB-CZ 4.28Å; A166-F169 PolarHBondContact O-N 2.93Å
167	M	81.1	Confident	80.1	Confident	128 Å²	128	62.1 Å²	62.1	63%	0.631	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.9	-176.5	-175.1	-169.5	-72.8	0	0	113.6	W154 V162	W154-M167 PolarHBondContact NE1-O 2.68Å; V162-M167 HydrophobicContact CG1-CG 4.22Å
168	W	80.3	Confident	78.7	Confident	179 Å²	179	62.2 Å²	62.2	68%	0.678	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-1	-176.5	60.1	70.4	0	0	0	114.5	A166	A166-W168 HydrophobicContact CB-CD2 4.12Å; A166-W168 HydrophobicContact CB-CH2 4.38Å; A166-W168 HydrophobicContact CB-CZ2 3.86Å; A166-W168 PolarHBondContact O-N 3.28Å; A166-W168 VanDerWaalsContact O-N 3.16Å
169	F	79.8	Confident	77.2	Confident	62 Å²	62	69.2 Å²	69.2	27%	0.272	34%	0.34	S	S	.	.			trans	-82.4	135.6	175.1	-67.8	-36.4	0	0	0	110.8	C163 A166 Q173 C174	C163-F169 HydrophobicContact CB-CB 4.42Å; A166-F169 HydrophobicContact CB-CD2 3.59Å; A166-F169 HydrophobicContact CB-CE2 3.59Å; A166-F169 HydrophobicContact CB-CG 4.27Å; A166-F169 HydrophobicContact CB-CZ 4.28Å; A166-F169 PolarHBondContact O-N 2.93Å; F169-Q173 HydrophobicContact CB-CB 4.24Å; F169-Q173 HydrophobicContact CD1-CB 4.37Å; F169-Q173 HydrophobicContact CG-CB 4.46Å; F169-C174 HydrophobicContact CB-CB 4.46Å
170	N	78.1	Confident	75.5	Confident	15 Å²	15	76.2 Å²	76.2	8%	0.08	37%	0.372	C	S	.	.			trans	-70.5	169.1	168.3	75	-5.9	0	0	0	110.1	D157 E172 Q173 C174	D157-N170 WeakPolarHBondContact OD2-CA 3.38Å; D157-N170 VanDerWaalsContact OD2-CB 3.32Å; D157-N170 WeakPolarHBondContact OD2-CB 3.47Å; N170-E172 PolarHBondContact O-N 3.43Å; N170-Q173 PolarHBondContact O-N 2.98Å; N170-Q173 WeakPolarHBondContact OD1-CA 3.4Å; N170-Q173 WeakPolarHBondContact OD1-CB 3.46Å; N170-Q173 WeakPolarHBondContact OD1-CG 3.24Å; N170-Q173 PolarHBondContact OD1-N 3.48Å; N170-Q173 PolarHBondContact OD1-OE1 3.45Å; N170-C174 WeakPolarHBondContact O-CB 3.4Å; N170-C174 PolarHBondContact O-N 2.83Å
171	H	76.4	Confident	73.7	Confident	66 Å²	66	77.7 Å²	77.7	31%	0.306	39%	0.386	S	S	.	.	H	α-helix	trans	-55.2	-50.9	-177.8	178.9	-101.3	0	0	0	111.5	D157 Q173 C174 C175 W192	D157-H171 PolarHBondContact OD2-N 3.26Å; H171-Q173 PolarHBondContact O-N 2.87Å; H171-C174 WeakPolarHBondContact O-CB 3.34Å; H171-C174 PolarHBondContact O-N 3.08Å; H171-C175 PolarHBondContact O-N 3.21Å; H171-C175 VanDerWaalsContact O-N 3.12Å; H171-C175 PolarHBondContact O-SG 3.21Å; H171-W192 HydrophobicContact CB-CD2 4.49Å; H171-W192 HydrophobicContact CB-CE3 4.33Å; H171-W192 HydrophobicContact CB-CH2 4.21Å; H171-W192 HydrophobicContact CB-CZ2 4.31Å; H171-W192 HydrophobicContact CB-CZ3 4.19Å; H171-W192 AromaticContact CD2-CD1 3.59Å; H171-W192 AromaticContact CD2-CD2 3.47Å; H171-W192 VanDerWaalsContact CD2-CD2 3.47Å; H171-W192 AromaticContact CD2-CE2 3.61Å; H171-W192 AromaticContact CD2-CG 3.48Å; H171-W192 VanDerWaalsContact CD2-CG 3.48Å; H171-W192 AromaticContact CD2-NE1 3.65Å; H171-W192 AromaticContact NE2-CD1 3.95Å
172	E	74.3	Confident	71.7	Confident	100 Å²	100	82.2 Å²	82.2	47%	0.467	41%	0.414	S	S	.	.	H	α-helix	trans	-60.4	-45.2	-179	-67	-167.5	159.3	0	0	113	N170 C175 W176	N170-E172 PolarHBondContact O-N 3.43Å; E172-C175 PolarHBondContact O-N 3.38Å; E172-W176 WeakPolarHBondContact O-CB 3.29Å; E172-W176 PolarHBondContact O-N 3.35Å
173	Q	76.1	Confident	69.5	Low	69 Å²	69	90.8 Å²	90.8	32%	0.322	45%	0.45	S	S	.	.	H	α-helix	trans	-66.8	-37.5	178.2	-70.5	163.4	1	0	0	112	F169 N170 H171 C175 T177	F169-Q173 HydrophobicContact CB-CB 4.24Å; F169-Q173 HydrophobicContact CD1-CB 4.37Å; F169-Q173 HydrophobicContact CG-CB 4.46Å; N170-Q173 PolarHBondContact O-N 2.98Å; N170-Q173 WeakPolarHBondContact OD1-CA 3.4Å; N170-Q173 WeakPolarHBondContact OD1-CB 3.46Å; N170-Q173 WeakPolarHBondContact OD1-CG 3.24Å; N170-Q173 PolarHBondContact OD1-N 3.48Å; N170-Q173 PolarHBondContact OD1-OE1 3.45Å; H171-Q173 PolarHBondContact O-N 2.87Å; Q173-C175 VanDerWaalsContact C-N 3.26Å; Q173-C175 PolarHBondContact O-N 3Å; Q173-T177 PolarHBondContact O-N 3.09Å; Q173-T177 PolarHBondContact O-OG1 2.79Å
174	C	77.1	Confident	67.4	Low	1 Å²	1	95.2 Å²	95.2	1%	0.007	49%	0.487	C	S	.	.	H	α-helix	trans	-58.9	-42.8	176.4	-171.4	0	0	0	0	110.7	C163 F169 N170 H171 W192	C163-C174 HydrophobicContact CB-CB 3.68Å; C163-C174 WeakPolarHBondContact CB-SG 3.32Å; C163-C174 WeakPolarHBondContact SG-CB 3.16Å; C163-C174 CovalentContact SG-SG 2.03Å; C163-C174 PolarHBondContact SG-SG 3.28Å; F169-C174 HydrophobicContact CB-CB 4.46Å; N170-C174 WeakPolarHBondContact O-CB 3.4Å; N170-C174 PolarHBondContact O-N 2.83Å; H171-C174 WeakPolarHBondContact O-CB 3.34Å; H171-C174 PolarHBondContact O-N 3.08Å; C174-W192 HydrophobicContact CB-CE3 4.12Å
175	C	74	Confident	65.8	Low	32 Å²	32	95.2 Å²	95.2	22%	0.216	48%	0.484	C	S	.	.	H	α-helix	trans	-81.8	-30.6	-174.7	-54.6	0	0	0	0	112.9	H171 E172 Q173 T177 S178 C189	H171-C175 PolarHBondContact O-N 3.21Å; H171-C175 VanDerWaalsContact O-N 3.12Å; H171-C175 PolarHBondContact O-SG 3.21Å; E172-C175 PolarHBondContact O-N 3.38Å; Q173-C175 VanDerWaalsContact C-N 3.26Å; Q173-C175 PolarHBondContact O-N 3Å; C175-T177 PolarHBondContact O-N 3.4Å; C175-S178 PolarHBondContact O-N 3.12Å; C175-S178 PolarHBondContact O-OG 2.74Å; C175-C189 WeakPolarHBondContact CA-SG 3.42Å; C175-C189 HydrophobicContact CB-CB 3.83Å; C175-C189 WeakPolarHBondContact CB-SG 3.36Å; C175-C189 WeakPolarHBondContact SG-CB 3.4Å; C175-C189 CovalentContact SG-SG 2.03Å; C175-C189 PolarHBondContact SG-SG 2.66Å
176	W	67.1	Low	64.1	Low	231 Å²	231	102.2 Å²	102.2	88%	0.875	50%	0.5	S	S	*	.	H	α-helix	trans	-60.2	-31.9	172.7	-164.6	-74.8	0	0	0	113.3	E172 S178	E172-W176 WeakPolarHBondContact O-CB 3.29Å; E172-W176 PolarHBondContact O-N 3.35Å; W176-S178 VanDerWaalsContact C-N 3.26Å; W176-S178 PolarHBondContact O-N 3.38Å
177	T	59.8	Low	62.6	Low	95 Å²	95	107.5 Å²	107.5	58%	0.583	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.6	-175.8	-42.8	0	0	0	0	112.7	Q173 C175	Q173-T177 PolarHBondContact O-N 3.09Å; Q173-T177 PolarHBondContact O-OG1 2.79Å; C175-T177 PolarHBondContact O-N 3.4Å
178	S	59.6	Low	61.4	Low	24 Å²	24	106.9 Å²	106.9	17%	0.168	52%	0.52	C	S	.	.			trans	-86.1	128.5	-177.5	71.3	0	0	0	0	112.1	C175 W176 E180	C175-S178 PolarHBondContact O-N 3.12Å; C175-S178 PolarHBondContact O-OG 2.74Å; W176-S178 VanDerWaalsContact C-N 3.26Å; W176-S178 PolarHBondContact O-N 3.38Å; S178-E180 VanDerWaalsContact C-N 3.29Å
179	N	57.5	Low	60.7	Low	166 Å²	166	99 Å²	99	89%	0.888	49%	0.492	S	S	*	.	S	Bend	trans	-79	-9.6	178	-85	-14.2	0	0	0	113.5
180	E	53.9	Low	60.3	Low	150 Å²	150	98.9 Å²	98.9	70%	0.701	50%	0.497	S	S	*	.			trans	-101.7	87.3	-177.9	-67.4	-169.2	172.5	0	0	110.3	S178	S178-E180 VanDerWaalsContact C-N 3.29Å
181	T	47.5	Very low	60.3	Low	103 Å²	103	102 Å²	102	63%	0.632	51%	0.511	S	S	*	.			trans	-91.7	101.1	168.8	46.5	0	0	0	0	108.9	F183	T181-F183 PolarHBondContact O-N 3.36Å
182	T	43.8	Very low	60.6	Low	95 Å²	95	100.3 Å²	100.3	58%	0.583	50%	0.502	S	S	*	.			trans	-78.7	111.6	168.3	14.3	0	0	0	0	108.2	A184 E185	T182-A184 PolarHBondContact O-N 2.87Å; T182-E185 PolarHBondContact O-N 3.18Å
183	F	41.8	Very low	61.1	Low	207 Å²	207	98.7 Å²	98.7	91%	0.908	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-8.9	-178.6	-92.1	-95.3	0	0	0	115.2	T181	T181-F183 PolarHBondContact O-N 3.36Å
184	A	42.6	Very low	61.6	Low	97 Å²	97	96.2 Å²	96.2	80%	0.802	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-21.8	-179.4	0	0	0	0	0	114.4	T182	T182-A184 PolarHBondContact O-N 2.87Å
185	E	47.8	Very low	62.2	Low	100 Å²	100	97.9 Å²	97.9	47%	0.467	49%	0.491	S	S	.	.			trans	-148	69.5	-175.3	-66	-173.4	152.8	0	0	110.4	T182 D187 K188	T182-E185 PolarHBondContact O-N 3.18Å; E185-D187 PolarHBondContact O-N 2.96Å; E185-D187 VanDerWaalsContact O-N 3.09Å; E185-K188 HydrophobicContact CB-CB 4.31Å; E185-K188 HydrophobicContact CB-CG 4.37Å; E185-K188 PolarHBondContact O-N 2.73Å; E185-K188 IonicContact OE1-NZ 2.75Å; E185-K188 PolarHBondContact OE1-NZ 2.83Å; E185-K188 WeakPolarHBondContact OE2-CD 3.4Å; E185-K188 VanDerWaalsContact OE2-CE 3.27Å; E185-K188 WeakPolarHBondContact OE2-CE 3.16Å; E185-K188 IonicContact OE2-NZ 2.85Å; E185-K188 PolarHBondContact OE2-NZ 2.81Å
186	R	45.9	Very low	62.7	Low	214 Å²	214	96.4 Å²	96.4	81%	0.808	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.3	-176.1	-153.4	178.5	-171	177.9	1.4	113.9
187	D	50.8	Low	63.6	Low	123 Å²	123	87.8 Å²	87.8	66%	0.658	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-15.3	178	-68.3	-24.7	0	0	0	114.1	E185 C189	E185-D187 PolarHBondContact O-N 2.96Å; E185-D187 VanDerWaalsContact O-N 3.09Å; D187-C189 PolarHBondContact O-N 3.5Å; D187-C189 VanDerWaalsContact O-N 3.16Å
188	K	55.2	Low	64.9	Low	116 Å²	116	87.9 Å²	87.9	50%	0.504	45%	0.446	S	S	.	.			trans	-89.4	86.3	177.5	-69.9	-160.7	-159	147.2	0	110.6	E185 P190	E185-K188 HydrophobicContact CB-CB 4.31Å; E185-K188 HydrophobicContact CB-CG 4.37Å; E185-K188 PolarHBondContact O-N 2.73Å; E185-K188 IonicContact OE1-NZ 2.75Å; E185-K188 PolarHBondContact OE1-NZ 2.83Å; E185-K188 WeakPolarHBondContact OE2-CD 3.4Å; E185-K188 VanDerWaalsContact OE2-CE 3.27Å; E185-K188 WeakPolarHBondContact OE2-CE 3.16Å; E185-K188 IonicContact OE2-NZ 2.85Å; E185-K188 PolarHBondContact OE2-NZ 2.81Å; K188-P190 WeakPolarHBondContact O-CD 3.46Å
189	C	66.6	Low	66.2	Low	14 Å²	14	90.8 Å²	90.8	10%	0.095	46%	0.459	C	S	.	.			trans	-76.6	110.2	174.8	-176.4	0	0	0	0	111.1	C175 D187 Q191 W192	C175-C189 WeakPolarHBondContact CA-SG 3.42Å; C175-C189 HydrophobicContact CB-CB 3.83Å; C175-C189 WeakPolarHBondContact CB-SG 3.36Å; C175-C189 WeakPolarHBondContact SG-CB 3.4Å; C175-C189 CovalentContact SG-SG 2.03Å; C175-C189 PolarHBondContact SG-SG 2.66Å; D187-C189 PolarHBondContact O-N 3.5Å; D187-C189 VanDerWaalsContact O-N 3.16Å; C189-Q191 PolarHBondContact O-N 2.82Å; C189-Q191 VanDerWaalsContact O-N 3.15Å; C189-W192 HydrophobicContact CB-CB 3.91Å; C189-W192 PolarHBondContact O-N 2.88Å
190	P	69.8	Low	67.4	Low	58 Å²	58	86.9 Å²	86.9	38%	0.377	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.3	-173.3	25.5	-34.2	0	0	0	113.4	K188	K188-P190 WeakPolarHBondContact O-CD 3.46Å
191	Q	78.2	Confident	68.7	Low	80 Å²	80	82.9 Å²	82.9	37%	0.374	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-19.9	178	-65.1	-63	-53.5	0	0	113.3	L164 C189	L164-Q191 PolarHBondContact N-O 3.28Å; C189-Q191 PolarHBondContact O-N 2.82Å; C189-Q191 VanDerWaalsContact O-N 3.15Å
192	W	83.3	Confident	70.2	Confident	31 Å²	31	84.5 Å²	84.5	12%	0.117	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.1	175.3	-172.8	-103.2	0	0	0	109.7	D157 G161 C163 H171 C174 C189	D157-W192 HydrophobicContact CB-CH2 3.68Å; D157-W192 HydrophobicContact CB-CZ2 4.13Å; G161-W192 WeakPolarHBondContact O-CH2 3.2Å; G161-W192 WeakPolarHBondContact O-CZ2 3.3Å; C163-W192 HydrophobicContact CB-CE3 3.95Å; C163-W192 HydrophobicContact CB-CZ3 4.04Å; H171-W192 HydrophobicContact CB-CD2 4.49Å; H171-W192 HydrophobicContact CB-CE3 4.33Å; H171-W192 HydrophobicContact CB-CH2 4.21Å; H171-W192 HydrophobicContact CB-CZ2 4.31Å; H171-W192 HydrophobicContact CB-CZ3 4.19Å; H171-W192 AromaticContact CD2-CD1 3.59Å; H171-W192 AromaticContact CD2-CD2 3.47Å; H171-W192 VanDerWaalsContact CD2-CD2 3.47Å; H171-W192 AromaticContact CD2-CE2 3.61Å; H171-W192 AromaticContact CD2-CG 3.48Å; H171-W192 VanDerWaalsContact CD2-CG 3.48Å; H171-W192 AromaticContact CD2-NE1 3.65Å; H171-W192 AromaticContact NE2-CD1 3.95Å; C174-W192 HydrophobicContact CB-CE3 4.12Å; C189-W192 HydrophobicContact CB-CB 3.91Å; C189-W192 PolarHBondContact O-N 2.88Å
193	K	85.8	Confident	71.4	Confident	66 Å²	66	82.4 Å²	82.4	29%	0.287	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.9	178	-69.8	-66.9	175.4	-177.5	0	110.4	G161 V162 L164 E197	G161-K193 VanDerWaalsContact CA-O 3.24Å; G161-K193 WeakPolarHBondContact CA-O 3.28Å; V162-K193 PolarHBondContact N-O 3.33Å; V162-K193 PolarHBondContact O-N 2.86Å; V162-K193 VanDerWaalsContact O-N 3.1Å; L164-K193 HydrophobicContact CD1-CG 3.67Å; L164-K193 HydrophobicContact CD2-CG 4.47Å; L164-K193 HydrophobicContact CG-CG 3.94Å; K193-E197 HydrophobicContact CD-CB 3.97Å; K193-E197 WeakPolarHBondContact CD-OE2 3.35Å; K193-E197 IonicContact NZ-OE2 2.76Å; K193-E197 PolarHBondContact NZ-OE2 3.05Å
194	S	85.9	Confident	73	Confident	18 Å²	18	80 Å²	80	13%	0.126	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	155.1	167.3	65.5	0	0	0	0	110.4	A196 E197 L198	S194-A196 PolarHBondContact O-N 3.34Å; S194-E197 PolarHBondContact O-N 3.18Å; S194-E197 VanDerWaalsContact O-N 3.09Å; S194-E197 WeakPolarHBondContact OG-CG 3.37Å; S194-E197 PolarHBondContact OG-N 2.84Å; S194-E197 PolarHBondContact OG-OE1 2.73Å; S194-L198 PolarHBondContact O-N 2.99Å; S194-L198 VanDerWaalsContact O-N 3.14Å
195	W	88.6	Confident	75	Confident	36 Å²	36	77.2 Å²	77.2	14%	0.136	40%	0.402	C	S	.	.	H	α-helix	trans	-58.6	-35.8	179.5	-72.1	106.6	0	0	0	112.8	L158 V162 L198 I199 N212 M215 W219	L158-W195 PolarHBondContact O-NE1 3.15Å; V162-W195 HydrophobicContact CG2-CH2 3.56Å; V162-W195 HydrophobicContact CG2-CZ2 3.46Å; V162-W195 VanDerWaalsContact CG2-CZ2 3.46Å; V162-W195 HydrophobicContact CG2-CZ3 4.29Å; W195-L198 HydrophobicContact CZ3-CD2 4.42Å; W195-L198 PolarHBondContact O-N 2.89Å; W195-I199 WeakPolarHBondContact O-CB 3.48Å; W195-I199 WeakPolarHBondContact O-CD1 3.4Å; W195-I199 VanDerWaalsContact O-CG1 3.29Å; W195-I199 WeakPolarHBondContact O-CG1 3.45Å; W195-I199 PolarHBondContact O-N 3.23Å; W195-I199 VanDerWaalsContact O-N 3.09Å; W195-N212 PolarHBondContact N-OD1 3.44Å; W195-M215 HydrophobicContact CB-CB 3.98Å; W195-M215 HydrophobicContact CB-CG 3.84Å; W195-M215 HydrophobicContact CG-CB 3.92Å; W195-M215 HydrophobicContact CG-CG 4.06Å; W195-W219 AromaticContact CE2-NE1 3.47Å; W195-W219 HydrophobicContact CH2-CZ2 4.02Å; W195-W219 AromaticContact CH2-NE1 3.91Å; W195-W219 AromaticContact CZ2-CE2 3.78Å; W195-W219 AromaticContact CZ2-CZ2 3.92Å; W195-W219 HydrophobicContact CZ2-CZ2 3.92Å; W195-W219 AromaticContact CZ2-NE1 3.21Å; W195-W219 AromaticContact NE1-CD1 3.93Å; W195-W219 AromaticContact NE1-NE1 3.75Å
196	A	86.3	Confident	76.7	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-62.5	-44	174.2	0	0	0	0	0	112.8	S194 L198 I199 L200 S208 M211 N212	S194-A196 PolarHBondContact O-N 3.34Å; A196-L198 VanDerWaalsContact C-N 3.29Å; A196-L198 PolarHBondContact O-N 2.91Å; A196-I199 PolarHBondContact O-N 3.45Å; A196-L200 WeakPolarHBondContact O-CA 3.44Å; A196-L200 WeakPolarHBondContact O-CB 3.49Å; A196-L200 PolarHBondContact O-N 3.03Å; A196-S208 WeakPolarHBondContact CB-O 3.31Å; A196-S208 WeakPolarHBondContact CB-OG 3.4Å; A196-M211 HydrophobicContact CB-CB 4.19Å; A196-M211 HydrophobicContact CB-CG 4.39Å; A196-N212 WeakPolarHBondContact CB-ND2 3.49Å; A196-N212 VanDerWaalsContact CB-OD1 3.29Å; A196-N212 WeakPolarHBondContact CB-OD1 3.27Å; A196-N212 PolarHBondContact N-OD1 3Å
197	E	85.3	Confident	78.7	Confident	50 Å²	50	69.5 Å²	69.5	23%	0.234	40%	0.396	C	S	.	.	H	α-helix	trans	-62.8	-37.8	177.4	-75.4	172.1	-117.8	0	0	112.2	K193 S194 G201 A203	K193-E197 HydrophobicContact CD-CB 3.97Å; K193-E197 WeakPolarHBondContact CD-OE2 3.35Å; K193-E197 IonicContact NZ-OE2 2.76Å; K193-E197 PolarHBondContact NZ-OE2 3.05Å; S194-E197 PolarHBondContact O-N 3.18Å; S194-E197 VanDerWaalsContact O-N 3.09Å; S194-E197 WeakPolarHBondContact OG-CG 3.37Å; S194-E197 PolarHBondContact OG-N 2.84Å; S194-E197 PolarHBondContact OG-OE1 2.73Å; E197-G201 VanDerWaalsContact O-CA 3.24Å; E197-G201 WeakPolarHBondContact O-CA 3.46Å; E197-G201 PolarHBondContact O-N 3.23Å; E197-G201 VanDerWaalsContact O-N 3.12Å; E197-A203 HydrophobicContact CG-CB 3.55Å
198	L	85.9	Confident	80.4	Confident	98 Å²	98	64.1 Å²	64.1	51%	0.513	37%	0.368	S	S	.	.	H	α-helix	trans	-69.9	-37.2	-179.9	-159.2	96.5	0	0	0	112.4	L164 S194 W195 A196	L164-L198 HydrophobicContact CD2-CD1 3.98Å; S194-L198 PolarHBondContact O-N 2.99Å; S194-L198 VanDerWaalsContact O-N 3.14Å; W195-L198 HydrophobicContact CZ3-CD2 4.42Å; W195-L198 PolarHBondContact O-N 2.89Å; A196-L198 VanDerWaalsContact C-N 3.29Å; A196-L198 PolarHBondContact O-N 2.91Å
199	I	87.3	Confident	81.9	Confident	84 Å²	84	64 Å²	64	43%	0.431	37%	0.365	S	S	.	.	H	α-helix	trans	-94	-42.8	-171.7	-64	168.9	0	0	0	112.1	W195 A196 M211 M215	W195-I199 WeakPolarHBondContact O-CB 3.48Å; W195-I199 WeakPolarHBondContact O-CD1 3.4Å; W195-I199 VanDerWaalsContact O-CG1 3.29Å; W195-I199 WeakPolarHBondContact O-CG1 3.45Å; W195-I199 PolarHBondContact O-N 3.23Å; W195-I199 VanDerWaalsContact O-N 3.09Å; A196-I199 PolarHBondContact O-N 3.45Å; I199-M211 HydrophobicContact CD1-CG 4.42Å; I199-M211 HydrophobicContact CD1-SD 4.13Å; I199-M211 HydrophobicContact CG2-CE 4.03Å; I199-M215 HydrophobicContact CD1-CE 3.24Å
200	L	84.2	Confident	83.1	Confident	84 Å²	84	68.7 Å²	68.7	44%	0.44	39%	0.388	S	S	.	.	H	α-helix	trans	-101	-12.6	-175.2	-71.5	148.7	0	0	0	112.9	A196 Q202 M211	A196-L200 WeakPolarHBondContact O-CA 3.44Å; A196-L200 WeakPolarHBondContact O-CB 3.49Å; A196-L200 PolarHBondContact O-N 3.03Å; L200-Q202 PolarHBondContact O-N 2.9Å; L200-M211 HydrophobicContact CD1-CB 3.62Å; L200-M211 HydrophobicContact CD1-CE 4.02Å; L200-M211 HydrophobicContact CD1-CG 3.92Å; L200-M211 HydrophobicContact CG-CE 4.46Å
201	G	79.7	Confident	84.1	Confident	67 Å²	67	68.2 Å²	68.2	69%	0.691	38%	0.381	S	S	*	.	S	Bend	trans	69.8	9.3	-177.6	0	0	0	0	0	114.5	E197	E197-G201 VanDerWaalsContact O-CA 3.24Å; E197-G201 WeakPolarHBondContact O-CA 3.46Å; E197-G201 PolarHBondContact O-N 3.23Å; E197-G201 VanDerWaalsContact O-N 3.12Å
202	Q	80.1	Confident	84.6	Confident	136 Å²	136	65.9 Å²	65.9	64%	0.636	37%	0.371	S	S	*	.			trans	-127.5	129.1	179.8	-66	-172.2	-36.3	0	0	110.4	L200	L200-Q202 PolarHBondContact O-N 2.9Å
203	A	69.4	Low	85	Confident	51 Å²	51	67.2 Å²	67.2	42%	0.421	38%	0.376	S	S	.	.	S	Bend	trans	-78.9	-39.4	178.7	0	0	0	0	0	112.6	E197 S208	E197-A203 HydrophobicContact CG-CB 3.55Å; A203-S208 WeakPolarHBondContact O-CB 3.34Å; A203-S208 PolarHBondContact O-OG 3.43Å
204	E	74.9	Confident	85.4	Confident	157 Å²	157	70.2 Å²	70.2	73%	0.734	39%	0.39	S	S	*	.	S	Bend	trans	-115.3	138.7	-171.8	-63.7	179.5	-175.4	0	0	111.2
205	G	83.8	Confident	85.7	Confident	38 Å²	38	71 Å²	71	39%	0.392	39%	0.392	S	S	.	.	S	Bend	trans	139.7	166.4	175.1	0	0	0	0	0	114	G207 S208 Y209	G205-G207 VanDerWaalsContact C-N 3.28Å; G205-G207 PolarHBondContact O-N 3.2Å; G205-S208 PolarHBondContact O-N 3.4Å; G205-Y209 PolarHBondContact O-N 3.02Å; G205-Y209 VanDerWaalsContact O-N 3.11Å
206	P	84.9	Confident	85.9	Confident	111 Å²	111	69.6 Å²	69.6	72%	0.721	39%	0.387	S	S	*	.	H	α-helix	trans	-62.9	-34.3	-179	24.1	-32.8	0	0	0	112.5	I210	P206-I210 WeakPolarHBondContact O-CD1 3.28Å; P206-I210 VanDerWaalsContact O-CG1 3.27Å; P206-I210 WeakPolarHBondContact O-CG1 3.38Å; P206-I210 PolarHBondContact O-N 2.97Å; P206-I210 VanDerWaalsContact O-N 3.14Å
207	G	86.4	Confident	86.3	Confident	41 Å²	41	71.1 Å²	71.1	42%	0.423	39%	0.394	S	S	.	.	H	α-helix	trans	-66.5	-39.2	175.2	0	0	0	0	0	113.3	G205 M211	G205-G207 VanDerWaalsContact C-N 3.28Å; G205-G207 PolarHBondContact O-N 3.2Å; G207-M211 WeakPolarHBondContact O-CB 3.36Å; G207-M211 PolarHBondContact O-N 3.42Å
208	S	86.1	Confident	86.8	Confident	10 Å²	10	74.8 Å²	74.8	7%	0.07	41%	0.407	C	S	.	.	H	α-helix	trans	-64	-45.8	175.9	169.5	0	0	0	0	111.2	A196 A203 G205 I210 M211 N212	A196-S208 WeakPolarHBondContact CB-O 3.31Å; A196-S208 WeakPolarHBondContact CB-OG 3.4Å; A203-S208 WeakPolarHBondContact O-CB 3.34Å; A203-S208 PolarHBondContact O-OG 3.43Å; G205-S208 PolarHBondContact O-N 3.4Å; S208-I210 PolarHBondContact O-N 2.88Å; S208-M211 PolarHBondContact O-N 3.1Å; S208-N212 PolarHBondContact O-N 3.49Å; S208-N212 PolarHBondContact O-ND2 3.33Å
209	Y	88.1	Confident	87.2	Confident	115 Å²	115	73.1 Å²	73.1	45%	0.451	39%	0.394	S	S	.	.	H	α-helix	trans	-58.8	-47.5	176.9	-176.7	-93.5	0	0	0	112.5	G205 M211 N212 Y213 F445	G205-Y209 PolarHBondContact O-N 3.02Å; G205-Y209 VanDerWaalsContact O-N 3.11Å; Y209-M211 VanDerWaalsContact C-N 3.34Å; Y209-M211 PolarHBondContact O-N 3.43Å; Y209-N212 PolarHBondContact O-N 3.39Å; Y209-Y213 WeakPolarHBondContact O-CB 3.33Å; Y209-Y213 PolarHBondContact O-N 3.32Å; Y209-F445 HydrophobicContact CD2-CE1 4.12Å; Y209-F445 HydrophobicContact CE1-CE1 4.15Å; Y209-F445 HydrophobicContact CE2-CD1 4.3Å; Y209-F445 AromaticContact CE2-CE1 3.61Å; Y209-F445 HydrophobicContact CE2-CE1 3.61Å; Y209-F445 AromaticContact CZ-CD1 3.97Å; Y209-F445 AromaticContact CZ-CE1 3.62Å
210	I	91	Very high	87.6	Confident	111 Å²	111	69.1 Å²	69.1	57%	0.569	37%	0.373	S	S	*	.	H	α-helix	trans	-63.4	-40.5	179.3	-66.4	165.3	0	0	0	111.1	P206 S208 Y213 F214	P206-I210 WeakPolarHBondContact O-CD1 3.28Å; P206-I210 VanDerWaalsContact O-CG1 3.27Å; P206-I210 WeakPolarHBondContact O-CG1 3.38Å; P206-I210 PolarHBondContact O-N 2.97Å; P206-I210 VanDerWaalsContact O-N 3.14Å; S208-I210 PolarHBondContact O-N 2.88Å; I210-Y213 PolarHBondContact O-N 3.37Å; I210-F214 PolarHBondContact O-N 3.27Å
211	M	90.3	Very high	88.2	Confident	49 Å²	49	67.3 Å²	67.3	24%	0.241	36%	0.364	C	S	.	.	H	α-helix	trans	-65.5	-48.2	178.5	-176.6	61.1	70.7	0	0	111.8	A196 I199 L200 G207 S208 Y209 Y213 F214 M215	A196-M211 HydrophobicContact CB-CB 4.19Å; A196-M211 HydrophobicContact CB-CG 4.39Å; I199-M211 HydrophobicContact CD1-CG 4.42Å; I199-M211 HydrophobicContact CD1-SD 4.13Å; I199-M211 HydrophobicContact CG2-CE 4.03Å; L200-M211 HydrophobicContact CD1-CB 3.62Å; L200-M211 HydrophobicContact CD1-CE 4.02Å; L200-M211 HydrophobicContact CD1-CG 3.92Å; L200-M211 HydrophobicContact CG-CE 4.46Å; G207-M211 WeakPolarHBondContact O-CB 3.36Å; G207-M211 PolarHBondContact O-N 3.42Å; S208-M211 PolarHBondContact O-N 3.1Å; Y209-M211 VanDerWaalsContact C-N 3.34Å; Y209-M211 PolarHBondContact O-N 3.43Å; M211-Y213 PolarHBondContact O-N 2.9Å; M211-F214 PolarHBondContact O-N 2.87Å; M211-M215 WeakPolarHBondContact O-CG 3.35Å; M211-M215 PolarHBondContact O-N 3.31Å; M211-M215 HydrophobicContact SD-CG 4.33Å
212	N	89.9	Confident	89	Confident	30 Å²	30	66.3 Å²	66.3	16%	0.16	35%	0.346	C	S	.	.	H	α-helix	trans	-60.1	-38.5	175.9	-75.3	-27.1	0	0	0	111.1	W195 A196 S208 Y209 M215 Y216 F445	W195-N212 PolarHBondContact N-OD1 3.44Å; A196-N212 WeakPolarHBondContact CB-ND2 3.49Å; A196-N212 VanDerWaalsContact CB-OD1 3.29Å; A196-N212 WeakPolarHBondContact CB-OD1 3.27Å; A196-N212 PolarHBondContact N-OD1 3Å; S208-N212 PolarHBondContact O-N 3.49Å; S208-N212 PolarHBondContact O-ND2 3.33Å; Y209-N212 PolarHBondContact O-N 3.39Å; N212-M215 PolarHBondContact O-N 3.4Å; N212-Y216 VanDerWaalsContact O-CB 3.3Å; N212-Y216 WeakPolarHBondContact O-CB 3.19Å; N212-Y216 PolarHBondContact O-N 3.1Å; N212-F445 HydrophobicContact CB-CE2 4.42Å; N212-F445 HydrophobicContact CB-CZ 3.94Å
213	Y	92.2	Very high	89.7	Confident	59 Å²	59	60.4 Å²	60.4	23%	0.231	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-46.4	176.4	-173.7	-153.5	0	0	0	112.5	Y209 I210 M211 Y216 I217 V442 F445	Y209-Y213 WeakPolarHBondContact O-CB 3.33Å; Y209-Y213 PolarHBondContact O-N 3.32Å; I210-Y213 PolarHBondContact O-N 3.37Å; M211-Y213 PolarHBondContact O-N 2.9Å; Y213-Y216 PolarHBondContact O-N 3.5Å; Y213-I217 HydrophobicContact CD2-CD1 3.8Å; Y213-I217 HydrophobicContact CD2-CG1 4.23Å; Y213-I217 HydrophobicContact CE1-CD1 4.44Å; Y213-I217 HydrophobicContact CE2-CD1 3.55Å; Y213-I217 HydrophobicContact CE2-CG1 4.13Å; Y213-I217 HydrophobicContact CG-CD1 4.4Å; Y213-I217 WeakPolarHBondContact O-CG1 3.47Å; Y213-I217 PolarHBondContact O-N 2.92Å; Y213-I217 VanDerWaalsContact O-N 3.15Å; Y213-V442 WeakPolarHBondContact OH-CA 2.98Å; Y213-V442 WeakPolarHBondContact OH-CG1 3.28Å; Y213-V442 PolarHBondContact OH-O 2.95Å; Y213-F445 HydrophobicContact CD2-CB 3.48Å; Y213-F445 VanDerWaalsContact CD2-CB 3.48Å; Y213-F445 AromaticContact CD2-CD1 3.31Å; Y213-F445 HydrophobicContact CD2-CD1 3.31Å; Y213-F445 HydrophobicContact CD2-CD2 4.02Å; Y213-F445 AromaticContact CD2-CE1 4Å; Y213-F445 HydrophobicContact CD2-CE1 4Å; Y213-F445 AromaticContact CD2-CG 3.33Å; Y213-F445 HydrophobicContact CD2-CG 3.33Å; Y213-F445 HydrophobicContact CE2-CB 3.46Å; Y213-F445 VanDerWaalsContact CE2-CB 3.46Å; Y213-F445 AromaticContact CE2-CD1 3.96Å; Y213-F445 HydrophobicContact CE2-CD1 3.96Å; Y213-F445 AromaticContact CE2-CG 3.87Å; Y213-F445 HydrophobicContact CE2-CG 3.87Å; Y213-F445 AromaticContact CG-CD1 3.69Å; Y213-F445 HydrophobicContact CG-CD1 3.69Å; Y213-F445 AromaticContact CG-CE1 3.98Å; Y213-F445 HydrophobicContact CG-CE1 3.98Å; Y213-F445 HydrophobicContact CG-CG 4.15Å
214	F	93.3	Very high	91	Very high	130 Å²	130	58 Å²	58	57%	0.57	30%	0.299	S	S	*	.	H	α-helix	trans	-62.7	-44.1	177.2	179.8	-95.4	0	0	0	111.9	I210 M211 I217 Y218	I210-F214 PolarHBondContact O-N 3.27Å; M211-F214 PolarHBondContact O-N 2.87Å; F214-I217 PolarHBondContact O-N 3.12Å; F214-Y218 WeakPolarHBondContact O-CB 3.45Å; F214-Y218 PolarHBondContact O-N 3.23Å
215	M	92.4	Very high	92	Very high	34 Å²	34	54.3 Å²	54.3	17%	0.167	28%	0.284	C	S	.	.	H	α-helix	trans	-66.9	-38.9	179.5	-73.1	-56.5	-153	0	0	112.8	W195 I199 M211 N212 I217 Y218 W219	W195-M215 HydrophobicContact CB-CB 3.98Å; W195-M215 HydrophobicContact CB-CG 3.84Å; W195-M215 HydrophobicContact CG-CB 3.92Å; W195-M215 HydrophobicContact CG-CG 4.06Å; I199-M215 HydrophobicContact CD1-CE 3.24Å; M211-M215 WeakPolarHBondContact O-CG 3.35Å; M211-M215 PolarHBondContact O-N 3.31Å; M211-M215 HydrophobicContact SD-CG 4.33Å; N212-M215 PolarHBondContact O-N 3.4Å; M215-I217 VanDerWaalsContact C-N 3.34Å; M215-I217 PolarHBondContact O-N 3.24Å; M215-Y218 PolarHBondContact O-N 2.72Å; M215-W219 VanDerWaalsContact O-CD1 3.3Å; M215-W219 PolarHBondContact O-N 3.31Å
216	Y	93	Very high	92.6	Very high	6 Å²	6	56.5 Å²	56.5	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-57.8	-47.7	173.6	-174.7	-87.4	0	0	0	111.3	K159 N212 Y213 A220 A441 F445 R451	K159-Y216 HydrophobicContact CB-CD2 3.73Å; K159-Y216 HydrophobicContact CB-CE2 4Å; K159-Y216 HydrophobicContact CB-CG 4.5Å; K159-Y216 HydrophobicContact CD-CD2 4.41Å; K159-Y216 HydrophobicContact CD-CE2 4.08Å; N212-Y216 VanDerWaalsContact O-CB 3.3Å; N212-Y216 WeakPolarHBondContact O-CB 3.19Å; N212-Y216 PolarHBondContact O-N 3.1Å; Y213-Y216 PolarHBondContact O-N 3.5Å; Y216-A220 VanDerWaalsContact O-CB 3.26Å; Y216-A220 WeakPolarHBondContact O-CB 3.46Å; Y216-A220 PolarHBondContact O-N 3.12Å; Y216-A441 HydrophobicContact CD1-CB 4.13Å; Y216-A441 HydrophobicContact CE1-CB 4.05Å; Y216-F445 HydrophobicContact CD1-CB 4.41Å; Y216-F445 HydrophobicContact CD1-CD2 4.01Å; Y216-F445 HydrophobicContact CD2-CD2 4.02Å; Y216-F445 HydrophobicContact CD2-CE2 4.42Å; Y216-F445 AromaticContact CG-CD2 3.65Å; Y216-F445 HydrophobicContact CG-CD2 3.65Å; Y216-F445 HydrophobicContact CG-CE2 4.21Å; Y216-R451 HydrophobicContact CD2-CG 4.41Å; Y216-R451 HydrophobicContact CE2-CG 3.75Å; Y216-R451 PolarHBondContact OH-O 3.23Å
217	I	94.6	Very high	93.1	Very high	32 Å²	32	51.2 Å²	51.2	16%	0.164	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-44.6	177.1	-65.9	166.1	0	0	0	110.9	Y213 F214 M215 W219 A220 L221 A441 V442	Y213-I217 HydrophobicContact CD2-CD1 3.8Å; Y213-I217 HydrophobicContact CD2-CG1 4.23Å; Y213-I217 HydrophobicContact CE1-CD1 4.44Å; Y213-I217 HydrophobicContact CE2-CD1 3.55Å; Y213-I217 HydrophobicContact CE2-CG1 4.13Å; Y213-I217 HydrophobicContact CG-CD1 4.4Å; Y213-I217 WeakPolarHBondContact O-CG1 3.47Å; Y213-I217 PolarHBondContact O-N 2.92Å; Y213-I217 VanDerWaalsContact O-N 3.15Å; F214-I217 PolarHBondContact O-N 3.12Å; M215-I217 VanDerWaalsContact C-N 3.34Å; M215-I217 PolarHBondContact O-N 3.24Å; I217-W219 PolarHBondContact O-N 3.11Å; I217-A220 PolarHBondContact O-N 2.85Å; I217-L221 HydrophobicContact CG2-CD1 3.74Å; I217-L221 HydrophobicContact CG2-CG 4.15Å; I217-L221 WeakPolarHBondContact O-CB 3.37Å; I217-L221 VanDerWaalsContact O-CG 3.26Å; I217-L221 WeakPolarHBondContact O-CG 3.23Å; I217-L221 PolarHBondContact O-N 2.94Å; I217-A441 HydrophobicContact CB-CB 4.48Å; I217-A441 HydrophobicContact CG1-CB 4Å; I217-V442 HydrophobicContact CD1-CG2 3.75Å; I217-V442 HydrophobicContact CG1-CG2 4.33Å
218	Y	95.2	Very high	93.5	Very high	128 Å²	128	49.3 Å²	49.3	50%	0.502	23%	0.232	S	C	.	.	H	α-helix	trans	-58.2	-50.5	-179.2	172.9	-99.1	0	0	0	112.1	F214 M215 L221 S222	F214-Y218 WeakPolarHBondContact O-CB 3.45Å; F214-Y218 PolarHBondContact O-N 3.23Å; M215-Y218 PolarHBondContact O-N 2.72Å; Y218-L221 PolarHBondContact O-N 3.05Å; Y218-S222 WeakPolarHBondContact O-CB 3.42Å; Y218-S222 PolarHBondContact O-N 2.97Å
219	W	95.1	Very high	93.9	Very high	62 Å²	62	51.1 Å²	51.1	24%	0.235	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-43.8	178.9	-79.1	114.6	0	0	0	112.2	K159 W195 M215 I217 L221 S222 F223	K159-W219 HydrophobicContact CG-CB 3.92Å; W195-W219 AromaticContact CE2-NE1 3.47Å; W195-W219 HydrophobicContact CH2-CZ2 4.02Å; W195-W219 AromaticContact CH2-NE1 3.91Å; W195-W219 AromaticContact CZ2-CE2 3.78Å; W195-W219 AromaticContact CZ2-CZ2 3.92Å; W195-W219 HydrophobicContact CZ2-CZ2 3.92Å; W195-W219 AromaticContact CZ2-NE1 3.21Å; W195-W219 AromaticContact NE1-CD1 3.93Å; W195-W219 AromaticContact NE1-NE1 3.75Å; M215-W219 VanDerWaalsContact O-CD1 3.3Å; M215-W219 PolarHBondContact O-N 3.31Å; I217-W219 PolarHBondContact O-N 3.11Å; W219-L221 VanDerWaalsContact C-N 3.33Å; W219-L221 PolarHBondContact O-N 3.27Å; W219-S222 PolarHBondContact O-N 3.25Å; W219-F223 HydrophobicContact CB-CE2 4.24Å; W219-F223 HydrophobicContact CD2-CZ 4.34Å; W219-F223 AromaticContact CE3-CE1 3.71Å; W219-F223 HydrophobicContact CE3-CE1 3.71Å; W219-F223 HydrophobicContact CE3-CE2 4.11Å; W219-F223 AromaticContact CE3-CZ 3.45Å; W219-F223 HydrophobicContact CE3-CZ 3.45Å; W219-F223 VanDerWaalsContact CE3-CZ 3.45Å; W219-F223 AromaticContact CZ3-CE1 3.92Å; W219-F223 HydrophobicContact CZ3-CE1 3.92Å; W219-F223 AromaticContact CZ3-CZ 3.93Å; W219-F223 HydrophobicContact CZ3-CZ 3.93Å; W219-F223 VanDerWaalsContact O-CD2 3.28Å; W219-F223 WeakPolarHBondContact O-CD2 3.4Å; W219-F223 WeakPolarHBondContact O-CG 3.3Å; W219-F223 PolarHBondContact O-N 3.46Å
220	A	94.9	Very high	94.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-56.4	-46.1	176.4	0	0	0	0	0	112.2	K159 Y216 I217 A224 S277 A441	K159-A220 HydrophobicContact CD-CB 4.44Å; Y216-A220 VanDerWaalsContact O-CB 3.26Å; Y216-A220 WeakPolarHBondContact O-CB 3.46Å; Y216-A220 PolarHBondContact O-N 3.12Å; I217-A220 PolarHBondContact O-N 2.85Å; A220-A224 WeakPolarHBondContact O-CB 3.42Å; A220-A224 PolarHBondContact O-N 2.94Å; A220-S277 WeakPolarHBondContact CB-O 3.45Å; A220-A441 HydrophobicContact CB-CB 3.89Å
221	L	96.4	Very high	94.3	Very high	47 Å²	47	42.3 Å²	42.3	25%	0.246	21%	0.206	C	C	.	.	H	α-helix	trans	-68.5	-40.1	178.3	-69	-179	0	0	0	113	I217 Y218 W219 A224 L225 I434 A437 A438	I217-L221 HydrophobicContact CG2-CD1 3.74Å; I217-L221 HydrophobicContact CG2-CG 4.15Å; I217-L221 WeakPolarHBondContact O-CB 3.37Å; I217-L221 VanDerWaalsContact O-CG 3.26Å; I217-L221 WeakPolarHBondContact O-CG 3.23Å; I217-L221 PolarHBondContact O-N 2.94Å; Y218-L221 PolarHBondContact O-N 3.05Å; W219-L221 VanDerWaalsContact C-N 3.33Å; W219-L221 PolarHBondContact O-N 3.27Å; L221-A224 PolarHBondContact O-N 3.43Å; L221-L225 VanDerWaalsContact O-CB 3.25Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 PolarHBondContact O-N 2.96Å; L221-I434 HydrophobicContact CD2-CG2 4.13Å; L221-I434 WeakPolarHBondContact CD2-O 3.4Å; L221-A437 HydrophobicContact CD2-CB 4.08Å; L221-A438 HydrophobicContact CD2-CB 3.8Å
222	S	96.3	Very high	94.3	Very high	45 Å²	45	45.8 Å²	45.8	32%	0.315	22%	0.219	S	C	.	.	H	α-helix	trans	-60.9	-47.4	177.6	-174.3	0	0	0	0	111.4	Y218 W219 L225 L226	Y218-S222 WeakPolarHBondContact O-CB 3.42Å; Y218-S222 PolarHBondContact O-N 2.97Å; W219-S222 PolarHBondContact O-N 3.25Å; S222-L225 PolarHBondContact O-N 3.19Å; S222-L226 WeakPolarHBondContact O-CB 3.29Å; S222-L226 PolarHBondContact O-N 3.18Å
223	F	96.3	Very high	94.4	Very high	13 Å²	13	49.5 Å²	49.5	6%	0.057	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-43.5	177.4	-63.1	-33.3	0	0	0	112.5	M155 L158 K159 W219 L225 L226 A227 L273 A276	M155-F223 HydrophobicContact CB-CZ 4.46Å; M155-F223 VanDerWaalsContact O-CE2 3.31Å; M155-F223 WeakPolarHBondContact O-CE2 3.42Å; L158-F223 HydrophobicContact CB-CZ 4.49Å; L158-F223 HydrophobicContact CD1-CZ 4.32Å; K159-F223 HydrophobicContact CG-CE2 4.47Å; W219-F223 HydrophobicContact CB-CE2 4.24Å; W219-F223 HydrophobicContact CD2-CZ 4.34Å; W219-F223 AromaticContact CE3-CE1 3.71Å; W219-F223 HydrophobicContact CE3-CE1 3.71Å; W219-F223 HydrophobicContact CE3-CE2 4.11Å; W219-F223 AromaticContact CE3-CZ 3.45Å; W219-F223 HydrophobicContact CE3-CZ 3.45Å; W219-F223 VanDerWaalsContact CE3-CZ 3.45Å; W219-F223 AromaticContact CZ3-CE1 3.92Å; W219-F223 HydrophobicContact CZ3-CE1 3.92Å; W219-F223 AromaticContact CZ3-CZ 3.93Å; W219-F223 HydrophobicContact CZ3-CZ 3.93Å; W219-F223 VanDerWaalsContact O-CD2 3.28Å; W219-F223 WeakPolarHBondContact O-CD2 3.4Å; W219-F223 WeakPolarHBondContact O-CG 3.3Å; W219-F223 PolarHBondContact O-N 3.46Å; F223-L225 PolarHBondContact O-N 3.31Å; F223-L226 PolarHBondContact O-N 3.24Å; F223-A227 WeakPolarHBondContact O-CB 3.38Å; F223-A227 PolarHBondContact O-N 3.48Å; F223-L273 HydrophobicContact CD1-CD2 3.92Å; F223-L273 HydrophobicContact CG-CD2 4.49Å; F223-A276 HydrophobicContact CD2-CB 3.89Å; F223-A276 HydrophobicContact CE2-CB 4.2Å; F223-A276 HydrophobicContact CG-CB 4.47Å
224	A	96	Very high	94.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-43.4	177.2	0	0	0	0	0	112.2	A220 L221 A227 V228 V433 A437	A220-A224 WeakPolarHBondContact O-CB 3.42Å; A220-A224 PolarHBondContact O-N 2.94Å; L221-A224 PolarHBondContact O-N 3.43Å; A224-A227 PolarHBondContact O-N 3.41Å; A224-V228 WeakPolarHBondContact O-CG1 3.17Å; A224-V228 PolarHBondContact O-N 3.35Å; A224-V228 VanDerWaalsContact O-N 3.11Å; A224-V433 HydrophobicContact CB-CG1 4.21Å; A224-A437 HydrophobicContact CB-CB 3.62Å
225	L	96.2	Very high	94.1	Very high	78 Å²	78	46.7 Å²	46.7	41%	0.408	23%	0.233	S	C	.	.	H	α-helix	trans	-62	-47.3	176.3	173.6	67.1	0	0	0	111.3	L221 S222 F223 V228 C229 V430 I434	L221-L225 VanDerWaalsContact O-CB 3.25Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 PolarHBondContact O-N 2.96Å; S222-L225 PolarHBondContact O-N 3.19Å; F223-L225 PolarHBondContact O-N 3.31Å; L225-V228 WeakPolarHBondContact O-CG1 3.3Å; L225-C229 VanDerWaalsContact O-CB 3.29Å; L225-C229 WeakPolarHBondContact O-CB 3.1Å; L225-C229 PolarHBondContact O-N 3.27Å; L225-C229 PolarHBondContact O-SG 3.48Å; L225-V430 HydrophobicContact CD1-CG1 4.04Å; L225-I434 HydrophobicContact CB-CD1 4.45Å; L225-I434 HydrophobicContact CB-CG1 4.43Å; L225-I434 HydrophobicContact CD1-CD1 3.59Å; L225-I434 HydrophobicContact CD1-CG1 4.39Å
226	L	96	Very high	93.8	Very high	84 Å²	84	48.9 Å²	48.9	44%	0.44	25%	0.25	S	C	.	.	H	α-helix	trans	-63	-44.2	179.5	-174.8	62.8	0	0	0	111.1	S222 F223 C229 L230 L273	S222-L226 WeakPolarHBondContact O-CB 3.29Å; S222-L226 PolarHBondContact O-N 3.18Å; F223-L226 PolarHBondContact O-N 3.24Å; L226-C229 PolarHBondContact O-N 3.35Å; L226-L230 HydrophobicContact CD1-CD1 4.32Å; L226-L230 HydrophobicContact CD1-CG 4.34Å; L226-L230 HydrophobicContact CG-CD1 4.14Å; L226-L230 WeakPolarHBondContact O-CB 2.91Å; L226-L230 VanDerWaalsContact O-CG 3.32Å; L226-L230 WeakPolarHBondContact O-CG 3.25Å; L226-L230 PolarHBondContact O-N 2.95Å; L226-L273 HydrophobicContact CB-CD1 4.23Å; L226-L273 HydrophobicContact CD2-CD1 3.63Å; L226-L273 HydrophobicContact CD2-CD2 4.04Å; L226-L273 HydrophobicContact CG-CD1 3.73Å
227	A	95.6	Very high	93.6	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.6	-51.9	179.1	0	0	0	0	0	112	F223 A224 C229 L230 V231 L273 V524	F223-A227 WeakPolarHBondContact O-CB 3.38Å; F223-A227 PolarHBondContact O-N 3.48Å; A224-A227 PolarHBondContact O-N 3.41Å; A227-C229 PolarHBondContact O-N 3.46Å; A227-L230 PolarHBondContact O-N 3.08Å; A227-V231 WeakPolarHBondContact O-CG2 3.3Å; A227-V231 PolarHBondContact O-N 3.41Å; A227-V231 VanDerWaalsContact O-N 3.1Å; A227-L273 HydrophobicContact CB-CB 3.91Å; A227-V524 HydrophobicContact CB-CG1 4.44Å
228	V	95	Very high	93.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-68.5	-35.3	-178.1	69.7	0	0	0	0	112.5	A224 L225 K232 V430 V433 V524	A224-V228 WeakPolarHBondContact O-CG1 3.17Å; A224-V228 PolarHBondContact O-N 3.35Å; A224-V228 VanDerWaalsContact O-N 3.11Å; L225-V228 WeakPolarHBondContact O-CG1 3.3Å; V228-K232 VanDerWaalsContact O-CB 3.26Å; V228-K232 WeakPolarHBondContact O-CB 3.4Å; V228-K232 PolarHBondContact O-N 3.11Å; V228-V430 HydrophobicContact CG1-CB 4.22Å; V228-V430 HydrophobicContact CG1-CG1 3.87Å; V228-V430 HydrophobicContact CG1-CG2 4.15Å; V228-V430 HydrophobicContact CG2-CG2 4.09Å; V228-V433 HydrophobicContact CB-CB 4.26Å; V228-V433 HydrophobicContact CB-CG1 4.2Å; V228-V433 HydrophobicContact CB-CG2 4.27Å; V228-V433 HydrophobicContact CG1-CB 4.41Å; V228-V433 HydrophobicContact CG1-CG1 4.42Å; V228-V433 HydrophobicContact CG2-CB 4.3Å; V228-V433 HydrophobicContact CG2-CG2 3.92Å; V228-V524 HydrophobicContact CB-CG1 4Å; V228-V524 HydrophobicContact CG2-CG1 4.44Å
229	C	94.1	Very high	93.1	Very high	48 Å²	48	47 Å²	47	32%	0.324	25%	0.245	S	C	.	.	H	α-helix	trans	-63.5	-45.3	175.8	-76.2	0	0	0	0	111.5	L225 L226 A227 K232 V233	L225-C229 VanDerWaalsContact O-CB 3.29Å; L225-C229 WeakPolarHBondContact O-CB 3.1Å; L225-C229 PolarHBondContact O-N 3.27Å; L225-C229 PolarHBondContact O-SG 3.48Å; L226-C229 PolarHBondContact O-N 3.35Å; A227-C229 PolarHBondContact O-N 3.46Å; C229-K232 PolarHBondContact O-N 3.26Å; C229-V233 WeakPolarHBondContact O-CB 3.45Å; C229-V233 VanDerWaalsContact O-CG2 3.3Å; C229-V233 WeakPolarHBondContact O-CG2 3.39Å; C229-V233 PolarHBondContact O-N 3.04Å
230	L	94.3	Very high	92.9	Very high	36 Å²	36	45 Å²	45	19%	0.188	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-44.7	178.2	-72.9	176.1	0	0	0	112.2	L226 A227 F234 I269 T270 L273	L226-L230 HydrophobicContact CD1-CD1 4.32Å; L226-L230 HydrophobicContact CD1-CG 4.34Å; L226-L230 HydrophobicContact CG-CD1 4.14Å; L226-L230 WeakPolarHBondContact O-CB 2.91Å; L226-L230 VanDerWaalsContact O-CG 3.32Å; L226-L230 WeakPolarHBondContact O-CG 3.25Å; L226-L230 PolarHBondContact O-N 2.95Å; A227-L230 PolarHBondContact O-N 3.08Å; L230-F234 HydrophobicContact CD2-CD2 3.8Å; L230-F234 HydrophobicContact CD2-CE2 3.71Å; L230-F234 WeakPolarHBondContact O-CB 3.17Å; L230-F234 PolarHBondContact O-N 2.93Å; L230-I269 HydrophobicContact CD1-CG2 4.1Å; L230-T270 HydrophobicContact CB-CG2 3.44Å; L230-T270 VanDerWaalsContact CB-CG2 3.44Å; L230-T270 HydrophobicContact CD1-CG2 3.9Å; L230-T270 HydrophobicContact CG-CG2 4.33Å; L230-L273 HydrophobicContact CD1-CD1 4.02Å
231	V	93.1	Very high	92.8	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.024	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-47.8	176.5	173.2	0	0	0	0	110.9	A227 A235 P236 A238 C239 T270 P525	A227-V231 WeakPolarHBondContact O-CG2 3.3Å; A227-V231 PolarHBondContact O-N 3.41Å; A227-V231 VanDerWaalsContact O-N 3.1Å; V231-A235 CarbonylContact O-C 3.59Å; V231-A235 PolarHBondContact O-N 3.29Å; V231-A235 VanDerWaalsContact O-O 3.12Å; V231-P236 WeakPolarHBondContact O-CA 3.41Å; V231-P236 VanDerWaalsContact O-N 3.14Å; V231-A238 HydrophobicContact CG2-CB 4.43Å; V231-C239 HydrophobicContact CG1-CB 4.02Å; V231-T270 HydrophobicContact CG2-CG2 3.91Å; V231-P525 HydrophobicContact CG2-CG 4.33Å
232	K	90.8	Very high	92.6	Very high	122 Å²	122	43 Å²	43	53%	0.53	23%	0.233	S	C	.	.	H	α-helix	trans	-67.5	-39.6	-175.3	-173.2	-179.3	177.1	-175.9	0	112.8	V228 C229 P429 V430	V228-K232 VanDerWaalsContact O-CB 3.26Å; V228-K232 WeakPolarHBondContact O-CB 3.4Å; V228-K232 PolarHBondContact O-N 3.11Å; C229-K232 PolarHBondContact O-N 3.26Å; K232-P429 HydrophobicContact CD-CG 4.48Å; K232-V430 HydrophobicContact CD-CG2 3.92Å
233	V	90.7	Very high	92.4	Very high	108 Å²	108	40.9 Å²	40.9	66%	0.655	22%	0.219	S	C	*	.	H	α-helix	trans	-83.7	-42.8	-174	175.5	0	0	0	0	112.1	C229	C229-V233 WeakPolarHBondContact O-CB 3.45Å; C229-V233 VanDerWaalsContact O-CG2 3.3Å; C229-V233 WeakPolarHBondContact O-CG2 3.39Å; C229-V233 PolarHBondContact O-N 3.04Å
234	F	90.8	Very high	92.3	Very high	125 Å²	125	40.7 Å²	40.7	55%	0.548	22%	0.218	S	C	.	.	H	α-helix	trans	-101	-40.5	-170.1	-66.1	-78.8	0	0	0	114.2	L230 I266	L230-F234 HydrophobicContact CD2-CD2 3.8Å; L230-F234 HydrophobicContact CD2-CE2 3.71Å; L230-F234 WeakPolarHBondContact O-CB 3.17Å; L230-F234 PolarHBondContact O-N 2.93Å; F234-I266 HydrophobicContact CB-CD1 3.63Å; F234-I266 HydrophobicContact CB-CG1 3.79Å; F234-I266 HydrophobicContact CD2-CD1 4.29Å; F234-I266 HydrophobicContact CG-CD1 4.03Å
235	A	89.1	Confident	92.1	Very high	5 Å²	5	41.6 Å²	41.6	4%	0.041	22%	0.222	C	C	.	.			trans	-152.7	85.3	-173.1	0	0	0	0	0	112.3	V231 Y237 A238 T263 I266	V231-A235 CarbonylContact O-C 3.59Å; V231-A235 PolarHBondContact O-N 3.29Å; V231-A235 VanDerWaalsContact O-O 3.12Å; A235-Y237 PolarHBondContact O-N 2.88Å; A235-A238 HydrophobicContact CB-CB 4.29Å; A235-A238 VanDerWaalsContact O-CB 3.23Å; A235-A238 WeakPolarHBondContact O-CB 3.27Å; A235-A238 PolarHBondContact O-N 2.74Å; A235-T263 HydrophobicContact CB-CG2 4.32Å; A235-I266 HydrophobicContact CB-CB 3.85Å; A235-I266 HydrophobicContact CB-CG1 3.93Å; A235-I266 HydrophobicContact CB-CG2 3.98Å
236	P	87.1	Confident	91.9	Very high	80 Å²	80	37.9 Å²	37.9	52%	0.519	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-62.3	-27.4	-179.6	23.7	-33.8	0	0	0	112.9	V231 A238 C239	V231-P236 WeakPolarHBondContact O-CA 3.41Å; V231-P236 VanDerWaalsContact O-N 3.14Å; P236-A238 PolarHBondContact O-N 3.21Å; P236-C239 PolarHBondContact O-N 3Å; P236-C239 PolarHBondContact O-SG 3.19Å
237	Y	88	Confident	91.7	Very high	93 Å²	93	34.4 Å²	34.4	37%	0.365	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-65.7	-10.5	173.8	-66.2	-60.7	0	0	0	114.3	A235 C239 Y258	A235-Y237 PolarHBondContact O-N 2.88Å; Y237-C239 VanDerWaalsContact C-N 3.29Å; Y237-C239 PolarHBondContact O-N 3.07Å; Y237-Y258 AromaticContact CD1-CD2 3.95Å; Y237-Y258 HydrophobicContact CD1-CD2 3.95Å; Y237-Y258 HydrophobicContact CG-CD2 4.21Å; Y237-Y258 WeakPolarHBondContact O-CE2 3.46Å
238	A	89.4	Confident	91.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-74.6	-17.7	176.6	0	0	0	0	0	113.2	V231 A235 P236 I266 K267	V231-A238 HydrophobicContact CG2-CB 4.43Å; A235-A238 HydrophobicContact CB-CB 4.29Å; A235-A238 VanDerWaalsContact O-CB 3.23Å; A235-A238 WeakPolarHBondContact O-CB 3.27Å; A235-A238 PolarHBondContact O-N 2.74Å; P236-A238 PolarHBondContact O-N 3.21Å; A238-I266 HydrophobicContact CB-CG2 4.3Å; A238-K267 HydrophobicContact CB-CB 3.93Å; A238-K267 HydrophobicContact CB-CG 4.34Å; A238-K267 WeakPolarHBondContact O-CE 3.5Å; A238-K267 PolarHBondContact O-NZ 3.12Å
239	C	90.5	Very high	91.2	Very high	35 Å²	35	34.8 Å²	34.8	24%	0.236	19%	0.186	C	C	.	.			trans	-63.7	157.6	-177.8	70	0	0	0	0	113.5	V231 P236 Y237	V231-C239 HydrophobicContact CG1-CB 4.02Å; P236-C239 PolarHBondContact O-N 3Å; P236-C239 PolarHBondContact O-SG 3.19Å; Y237-C239 VanDerWaalsContact C-N 3.29Å; Y237-C239 PolarHBondContact O-N 3.07Å
240	G	91.4	Very high	91	Very high	18 Å²	18	32.9 Å²	32.9	19%	0.186	17%	0.173	C	C	.	.	S	Bend	trans	71.8	-174.2	177.9	0	0	0	0	0	114.6	K267 V524 S526	G240-K267 PolarHBondContact O-NZ 2.68Å; G240-V524 PolarHBondContact N-O 2.72Å; G240-S526 CarbonylContact C-O 3.41Å; G240-S526 WeakPolarHBondContact CA-OG 3.4Å; G240-S526 PolarHBondContact O-N 3.03Å
241	S	91.4	Very high	90.4	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.035	17%	0.166	C	C	.	.			trans	-70.3	-41.5	178.9	-175.6	0	0	0	0	112	G285 P286 S526	S241-G285 WeakPolarHBondContact OG-CA 3.34Å; S241-P286 WeakPolarHBondContact O-CA 3.42Å; S241-S526 WeakPolarHBondContact CA-O 3.25Å; S241-S526 VanDerWaalsContact CB-O 3.25Å; S241-S526 WeakPolarHBondContact CB-O 3.06Å; S241-S526 PolarHBondContact N-O 2.97Å
242	G	92	Very high	89.8	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	89.5	-12.7	-173.8	0	0	0	0	0	116	E245 I246 Y258	G242-E245 WeakPolarHBondContact CA-OE2 3.39Å; G242-E245 PolarHBondContact O-N 3.33Å; G242-I246 VanDerWaalsContact O-CG1 3.28Å; G242-I246 WeakPolarHBondContact O-CG1 3.32Å; G242-I246 PolarHBondContact O-N 3.33Å; G242-Y258 WeakPolarHBondContact CA-OH 3.42Å
243	I	93.7	Very high	89.5	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-60.5	-45.7	174.9	-65.7	168.1	0	0	0	112.2	E245 I246 K247 V288 F337 F529 Y632	I243-E245 VanDerWaalsContact C-N 3.29Å; I243-E245 PolarHBondContact O-N 2.99Å; I243-I246 PolarHBondContact O-N 2.85Å; I243-K247 WeakPolarHBondContact O-CB 3.34Å; I243-K247 PolarHBondContact O-N 3.49Å; I243-V288 HydrophobicContact CD1-CG2 4.42Å; I243-V288 HydrophobicContact CG1-CB 4.35Å; I243-F337 HydrophobicContact CD1-CZ 4.2Å; I243-F529 HydrophobicContact CD1-CE2 3.66Å; I243-F529 HydrophobicContact CD1-CZ 4.18Å; I243-Y632 HydrophobicContact CB-CD1 4.12Å; I243-Y632 HydrophobicContact CB-CE1 3.99Å; I243-Y632 HydrophobicContact CD1-CE1 4.07Å; I243-Y632 HydrophobicContact CD1-CE2 4.36Å; I243-Y632 HydrophobicContact CG2-CD1 4.07Å; I243-Y632 HydrophobicContact CG2-CD2 4.11Å; I243-Y632 HydrophobicContact CG2-CE1 4.2Å; I243-Y632 HydrophobicContact CG2-CE2 4.24Å; I243-Y632 HydrophobicContact CG2-CG 4.03Å
244	P	92.8	Very high	89.1	Confident	8 Å²	8	22.9 Å²	22.9	5%	0.052	12%	0.122	C	C	.	.	H	α-helix	trans	-52.2	-46.7	175.3	-30.1	38.4	0	0	0	112.8	K247 T248 Y632 H635 I636	P244-K247 PolarHBondContact O-N 3.14Å; P244-T248 VanDerWaalsContact O-CG2 3.31Å; P244-T248 WeakPolarHBondContact O-CG2 3.37Å; P244-T248 PolarHBondContact O-N 3.13Å; P244-Y632 HydrophobicContact CG-CD1 3.87Å; P244-H635 HydrophobicContact CG-CB 4.15Å; P244-I636 HydrophobicContact CB-CG1 3.79Å
245	E	91.8	Very high	88.8	Confident	20 Å²	20	18.2 Å²	18.2	9%	0.093	10%	0.103	C	C	.	.	H	α-helix	trans	-69.6	-42.1	-178.7	-64.6	77.6	-173.2	0	0	111.4	G242 I243 K247 T248 I249 I255 Y258 Y641	G242-E245 WeakPolarHBondContact CA-OE2 3.39Å; G242-E245 PolarHBondContact O-N 3.33Å; I243-E245 VanDerWaalsContact C-N 3.29Å; I243-E245 PolarHBondContact O-N 2.99Å; E245-K247 VanDerWaalsContact C-N 3.34Å; E245-K247 PolarHBondContact O-N 3.4Å; E245-T248 WeakPolarHBondContact CA-OG1 3Å; E245-T248 PolarHBondContact O-N 3.36Å; E245-T248 PolarHBondContact O-OG1 3.05Å; E245-I249 WeakPolarHBondContact O-CG1 3.37Å; E245-I249 PolarHBondContact O-N 3.03Å; E245-I255 HydrophobicContact CB-CD1 4.43Å; E245-Y258 HydrophobicContact CB-CD1 4.23Å; E245-Y258 HydrophobicContact CB-CD2 4.47Å; E245-Y258 HydrophobicContact CB-CE1 3.52Å; E245-Y258 HydrophobicContact CB-CE2 3.83Å; E245-Y258 WeakPolarHBondContact CB-OH 3.3Å; E245-Y258 HydrophobicContact CG-CD2 4.46Å; E245-Y258 HydrophobicContact CG-CE1 4.34Å; E245-Y258 HydrophobicContact CG-CE2 3.7Å; E245-Y258 PolarHBondContact OE2-OH 2.91Å; E245-Y641 HydrophobicContact CG-CE2 3.91Å
246	I	93.3	Very high	88.4	Confident	1 Å²	1	27 Å²	27	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-61.5	-42.9	174.1	-63.6	-55.4	0	0	0	111.2	G242 I243 T248 I249 L250 Y258 L259 C292 V342	G242-I246 VanDerWaalsContact O-CG1 3.28Å; G242-I246 WeakPolarHBondContact O-CG1 3.32Å; G242-I246 PolarHBondContact O-N 3.33Å; I243-I246 PolarHBondContact O-N 2.85Å; I246-T248 VanDerWaalsContact C-N 3.3Å; I246-T248 PolarHBondContact O-N 2.94Å; I246-I249 HydrophobicContact CD1-CD1 4.3Å; I246-I249 PolarHBondContact O-N 3.33Å; I246-I249 VanDerWaalsContact O-N 3.11Å; I246-L250 HydrophobicContact CG2-CD1 4.3Å; I246-L250 HydrophobicContact CG2-CG 4.28Å; I246-L250 PolarHBondContact O-N 3.09Å; I246-Y258 HydrophobicContact CD1-CD1 4.47Å; I246-Y258 HydrophobicContact CD1-CE1 4.05Å; I246-L259 HydrophobicContact CD1-CD2 3.57Å; I246-C292 HydrophobicContact CD1-CB 3.79Å; I246-C292 HydrophobicContact CG1-CB 4.4Å; I246-V342 HydrophobicContact CB-CG1 4.42Å; I246-V342 HydrophobicContact CG2-CG1 3.52Å
247	K	91.7	Very high	88.1	Confident	11 Å²	11	25.6 Å²	25.6	5%	0.048	14%	0.135	C	C	.	.	H	α-helix	trans	-58.3	-42.1	175.3	-170.8	169.7	-177.8	170.8	0	110.8	I243 P244 E245 S251 E341 E633 I636 F643	I243-K247 WeakPolarHBondContact O-CB 3.34Å; I243-K247 PolarHBondContact O-N 3.49Å; P244-K247 PolarHBondContact O-N 3.14Å; E245-K247 VanDerWaalsContact C-N 3.34Å; E245-K247 PolarHBondContact O-N 3.4Å; K247-S251 WeakPolarHBondContact O-CB 3.48Å; K247-S251 PolarHBondContact O-N 3.07Å; K247-E341 WeakPolarHBondContact CD-O 3.38Å; K247-E341 WeakPolarHBondContact CE-O 3.44Å; K247-E341 IonicContact NZ-OE2 2.64Å; K247-E633 IonicContact NZ-OE1 3.47Å; K247-E633 PolarHBondContact NZ-OE1 3.16Å; K247-I636 HydrophobicContact CB-CD1 4.23Å; K247-I636 HydrophobicContact CD-CD1 4.02Å; K247-I636 HydrophobicContact CG-CD1 4.21Å; K247-F643 HydrophobicContact CD-CE2 4.46Å; K247-F643 HydrophobicContact CD-CZ 4.15Å; K247-F643 VanDerWaalsContact CE-CZ 3.49Å; K247-F643 HydrophobicContact CG-CE2 3.82Å; K247-F643 HydrophobicContact CG-CZ 4Å
248	T	89.3	Confident	88.2	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-65.9	-39.4	174.3	66.1	0	0	0	0	112.9	P244 E245 I246 S251 F253 I636 Y641	P244-T248 VanDerWaalsContact O-CG2 3.31Å; P244-T248 WeakPolarHBondContact O-CG2 3.37Å; P244-T248 PolarHBondContact O-N 3.13Å; E245-T248 WeakPolarHBondContact CA-OG1 3Å; E245-T248 PolarHBondContact O-N 3.36Å; E245-T248 PolarHBondContact O-OG1 3.05Å; I246-T248 VanDerWaalsContact C-N 3.3Å; I246-T248 PolarHBondContact O-N 2.94Å; T248-S251 PolarHBondContact O-N 3.14Å; T248-S251 PolarHBondContact O-OG 2.83Å; T248-F253 PolarHBondContact O-N 3.37Å; T248-I636 HydrophobicContact CG2-CD1 4.11Å; T248-I636 HydrophobicContact CG2-CG1 4.04Å; T248-I636 HydrophobicContact CG2-CG2 4.02Å; T248-Y641 HydrophobicContact CG2-CD2 4.04Å; T248-Y641 HydrophobicContact CG2-CG 4.17Å
249	I	89.9	Confident	88.2	Confident	9 Å²	9	22.1 Å²	22.1	5%	0.046	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-46.6	178.1	-70.5	161.2	0	0	0	111	E245 I246 S251 G252 F253 I255 Y258 L259 R313 L316	E245-I249 WeakPolarHBondContact O-CG1 3.37Å; E245-I249 PolarHBondContact O-N 3.03Å; I246-I249 HydrophobicContact CD1-CD1 4.3Å; I246-I249 PolarHBondContact O-N 3.33Å; I246-I249 VanDerWaalsContact O-N 3.11Å; I249-S251 VanDerWaalsContact C-N 3.29Å; I249-S251 PolarHBondContact O-N 3.14Å; I249-G252 PolarHBondContact O-N 3.37Å; I249-G252 VanDerWaalsContact O-N 3.1Å; I249-F253 WeakPolarHBondContact CA-O 3.38Å; I249-I255 HydrophobicContact CD1-CB 4.42Å; I249-I255 HydrophobicContact CD1-CD1 4.46Å; I249-I255 HydrophobicContact CD1-CG1 4.46Å; I249-I255 HydrophobicContact CG1-CB 4.42Å; I249-I255 HydrophobicContact CG1-CD1 4.22Å; I249-I255 HydrophobicContact CG1-CG1 4.05Å; I249-Y258 HydrophobicContact CD1-CD1 3.74Å; I249-Y258 HydrophobicContact CD1-CE1 4.42Å; I249-Y258 HydrophobicContact CD1-CG 4.46Å; I249-L259 HydrophobicContact CD1-CD1 4.3Å; I249-L259 HydrophobicContact CD1-CG 4.34Å; I249-R313 PolarHBondContact O-NE 2.82Å; I249-R313 PolarHBondContact O-NH2 3.42Å; I249-L316 HydrophobicContact CG2-CD1 4.12Å
250	L	89.1	Confident	88.2	Confident	8 Å²	8	21.4 Å²	21.4	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-66.9	-30.4	178.1	-68	-170.4	0	0	0	112.3	I246 G252 R313 L316 V342	I246-L250 HydrophobicContact CG2-CD1 4.3Å; I246-L250 HydrophobicContact CG2-CG 4.28Å; I246-L250 PolarHBondContact O-N 3.09Å; L250-G252 PolarHBondContact O-N 3.27Å; L250-G252 VanDerWaalsContact O-N 3.14Å; L250-R313 HydrophobicContact CD2-CB 3.93Å; L250-R313 HydrophobicContact CD2-CG 4.05Å; L250-L316 HydrophobicContact CD2-CB 3.9Å; L250-V342 HydrophobicContact CD1-CB 4.24Å; L250-V342 HydrophobicContact CD1-CG1 3.55Å
251	S	83.4	Confident	88.2	Confident	7 Å²	7	27.1 Å²	27.1	5%	0.049	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.7	172.8	83.9	0	0	0	0	114.4	K247 T248 I249 F253 K799	K247-S251 WeakPolarHBondContact O-CB 3.48Å; K247-S251 PolarHBondContact O-N 3.07Å; T248-S251 PolarHBondContact O-N 3.14Å; T248-S251 PolarHBondContact O-OG 2.83Å; I249-S251 VanDerWaalsContact C-N 3.29Å; I249-S251 PolarHBondContact O-N 3.14Å; S251-F253 WeakPolarHBondContact OG-CD2 3.07Å; S251-K799 PolarHBondContact O-NZ 2.91Å
252	G	80.1	Confident	88.2	Confident	2 Å²	2	34.5 Å²	34.5	2%	0.021	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.2	7.6	172	0	0	0	0	0	115.8	T92 I93 I249 L250	T92-G252 WeakPolarHBondContact CA-O 3.27Å; I93-G252 WeakPolarHBondContact CG2-O 3.4Å; I93-G252 PolarHBondContact N-O 3.16Å; I249-G252 PolarHBondContact O-N 3.37Å; I249-G252 VanDerWaalsContact O-N 3.1Å; L250-G252 PolarHBondContact O-N 3.27Å; L250-G252 VanDerWaalsContact O-N 3.14Å
253	F	83.5	Confident	88.2	Confident	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	153.5	171.9	-62.8	-80.3	0	0	0	110.9	F90 T92 T248 I249 S251 R313 P642 K799 L803	F90-F253 HydrophobicContact CB-CD1 4.04Å; T92-F253 HydrophobicContact CG2-CD1 3.7Å; T92-F253 HydrophobicContact CG2-CE1 3.37Å; T92-F253 HydrophobicContact CG2-CZ 4.15Å; T248-F253 PolarHBondContact O-N 3.37Å; I249-F253 WeakPolarHBondContact CA-O 3.38Å; S251-F253 WeakPolarHBondContact OG-CD2 3.07Å; F253-R313 PolarHBondContact O-NH2 2.78Å; F253-P642 HydrophobicContact CD1-CB 4.25Å; F253-P642 HydrophobicContact CD1-CG 3.59Å; F253-P642 HydrophobicContact CD2-CB 4.49Å; F253-P642 HydrophobicContact CD2-CG 4.18Å; F253-P642 WeakPolarHBondContact CD2-O 3.26Å; F253-P642 HydrophobicContact CE1-CB 3.62Å; F253-P642 HydrophobicContact CE1-CG 3.47Å; F253-P642 VanDerWaalsContact CE1-CG 3.47Å; F253-P642 HydrophobicContact CE2-CB 3.93Å; F253-P642 HydrophobicContact CE2-CG 4.11Å; F253-P642 WeakPolarHBondContact CE2-O 3.38Å; F253-P642 HydrophobicContact CG-CG 3.95Å; F253-P642 HydrophobicContact CZ-CB 3.45Å; F253-P642 VanDerWaalsContact CZ-CB 3.45Å; F253-P642 HydrophobicContact CZ-CG 3.76Å; F253-K799 HydrophobicContact CE1-CD 4.44Å; F253-K799 HydrophobicContact CE2-CD 4.05Å; F253-K799 VanDerWaalsContact CE2-NZ 3.28Å; F253-K799 HydrophobicContact CZ-CD 3.58Å; F253-K799 HydrophobicContact CZ-CG 4.18Å; F253-L803 HydrophobicContact CZ-CD1 4.39Å
254	I	83.1	Confident	88.3	Confident	49 Å²	49	35.8 Å²	35.8	25%	0.251	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.2	179.4	-60.5	171.2	0	0	0	108.7	H91	H91-I254 PolarHBondContact O-N 2.82Å
255	I	83.9	Confident	88.4	Confident	28 Å²	28	40.6 Å²	40.6	14%	0.144	20%	0.198	C	C	.	.			trans	-105.2	109.8	173.4	-48.5	-176.8	0	0	0	108.3	F90 E245 I249 Y258	F90-I255 HydrophobicContact CD1-CG1 4.34Å; F90-I255 HydrophobicContact CE1-CD1 4.27Å; F90-I255 HydrophobicContact CE1-CG1 4Å; E245-I255 HydrophobicContact CB-CD1 4.43Å; I249-I255 HydrophobicContact CD1-CB 4.42Å; I249-I255 HydrophobicContact CD1-CD1 4.46Å; I249-I255 HydrophobicContact CD1-CG1 4.46Å; I249-I255 HydrophobicContact CG1-CB 4.42Å; I249-I255 HydrophobicContact CG1-CD1 4.22Å; I249-I255 HydrophobicContact CG1-CG1 4.05Å; I255-Y258 HydrophobicContact CG2-CG 4.45Å
256	R	80.8	Confident	88.6	Confident	189 Å²	189	40.4 Å²	40.4	71%	0.713	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	139.2	-176.7	-65.9	-175.6	-179.2	174.6	4.7	110.8	Y258	R256-Y258 PolarHBondContact O-N 2.75Å; R256-Y258 VanDerWaalsContact O-N 3.16Å
257	G	81.5	Confident	88.7	Confident	51 Å²	51	40.4 Å²	40.4	53%	0.526	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-14.5	176.3	0	0	0	0	0	115.7	G260	G257-G260 PolarHBondContact O-N 3.43Å
258	Y	88.8	Confident	88.9	Confident	5 Å²	5	40.7 Å²	40.7	2%	0.02	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-50.1	-179.8	-170.3	-101.6	0	0	0	112.8	Y237 G242 E245 I246 I249 I255 R256 G260 T263 H289	Y237-Y258 AromaticContact CD1-CD2 3.95Å; Y237-Y258 HydrophobicContact CD1-CD2 3.95Å; Y237-Y258 HydrophobicContact CG-CD2 4.21Å; Y237-Y258 WeakPolarHBondContact O-CE2 3.46Å; G242-Y258 WeakPolarHBondContact CA-OH 3.42Å; E245-Y258 HydrophobicContact CB-CD1 4.23Å; E245-Y258 HydrophobicContact CB-CD2 4.47Å; E245-Y258 HydrophobicContact CB-CE1 3.52Å; E245-Y258 HydrophobicContact CB-CE2 3.83Å; E245-Y258 WeakPolarHBondContact CB-OH 3.3Å; E245-Y258 HydrophobicContact CG-CD2 4.46Å; E245-Y258 HydrophobicContact CG-CE1 4.34Å; E245-Y258 HydrophobicContact CG-CE2 3.7Å; E245-Y258 PolarHBondContact OE2-OH 2.91Å; I246-Y258 HydrophobicContact CD1-CD1 4.47Å; I246-Y258 HydrophobicContact CD1-CE1 4.05Å; I249-Y258 HydrophobicContact CD1-CD1 3.74Å; I249-Y258 HydrophobicContact CD1-CE1 4.42Å; I249-Y258 HydrophobicContact CD1-CG 4.46Å; I255-Y258 HydrophobicContact CG2-CG 4.45Å; R256-Y258 PolarHBondContact O-N 2.75Å; R256-Y258 VanDerWaalsContact O-N 3.16Å; Y258-G260 PolarHBondContact O-N 2.89Å; Y258-T263 WeakPolarHBondContact O-CB 3.31Å; Y258-T263 PolarHBondContact O-OG1 3.29Å; Y258-H289 AromaticContact CD1-NE2 3.47Å; Y258-H289 WeakPolarHBondContact CD1-NE2 3.33Å; Y258-H289 AromaticContact CE1-CD2 3.56Å; Y258-H289 AromaticContact CE1-CE1 3.44Å; Y258-H289 VanDerWaalsContact CE1-CE1 3.44Å; Y258-H289 WeakPolarHBondContact CE1-CE1 3.48Å; Y258-H289 AromaticContact CE1-NE2 3.03Å; Y258-H289 WeakPolarHBondContact CE1-NE2 3.47Å; Y258-H289 AromaticContact CZ-CE1 3.35Å; Y258-H289 AromaticContact CZ-ND1 3.94Å; Y258-H289 AromaticContact CZ-NE2 3.5Å; Y258-H289 PolarHBondContact OH-CE1 3.03Å
259	L	90.6	Very high	89.2	Confident	14 Å²	14	44.9 Å²	44.9	7%	0.073	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	26.3	176.9	-62.7	172.8	0	0	0	113.3	I246 I249 C292 N296 L316	I246-L259 HydrophobicContact CD1-CD2 3.57Å; I249-L259 HydrophobicContact CD1-CD1 4.3Å; I249-L259 HydrophobicContact CD1-CG 4.34Å; L259-C292 HydrophobicContact CD2-CB 3.92Å; L259-N296 HydrophobicContact CB-CB 3.81Å; L259-N296 VanDerWaalsContact CB-ND2 3.3Å; L259-N296 WeakPolarHBondContact CB-ND2 3.32Å; L259-N296 HydrophobicContact CD1-CB 4.16Å; L259-N296 PolarHBondContact O-ND2 3.48Å; L259-L316 HydrophobicContact CD1-CD1 3.72Å; L259-L316 HydrophobicContact CD1-CD2 3.92Å
260	G	89.3	Confident	89.5	Confident	20 Å²	20	44.5 Å²	44.5	21%	0.206	22%	0.219	C	C	.	.			trans	-74	164.7	-174.7	0	0	0	0	0	114.7	G257 Y258 W262 T263 L264	G257-G260 PolarHBondContact O-N 3.43Å; Y258-G260 PolarHBondContact O-N 2.89Å; G260-W262 VanDerWaalsContact C-N 3.33Å; G260-W262 PolarHBondContact O-N 3.3Å; G260-T263 PolarHBondContact N-OG1 3.3Å; G260-T263 VanDerWaalsContact N-OG1 3.09Å; G260-T263 PolarHBondContact O-N 3.44Å; G260-T263 PolarHBondContact O-OG1 3.01Å; G260-L264 PolarHBondContact O-N 2.85Å; G260-L264 VanDerWaalsContact O-N 3.15Å
261	K	91.7	Very high	89.8	Confident	138 Å²	138	44.1 Å²	44.1	60%	0.6	22%	0.217	S	C	*	.	H	α-helix	trans	-65.4	-34.7	172.8	64.2	178.9	-178.2	175.5	0	113.3	L264 M265 I297	K261-L264 WeakPolarHBondContact O-CB 3.02Å; K261-L264 PolarHBondContact O-N 3.31Å; K261-M265 WeakPolarHBondContact O-CG 3.45Å; K261-M265 PolarHBondContact O-N 3.01Å; K261-M265 VanDerWaalsContact O-N 3.1Å; K261-I297 HydrophobicContact CB-CD1 4.1Å
262	W	91.1	Very high	90.3	Very high	161 Å²	161	44.2 Å²	44.2	61%	0.61	22%	0.218	S	C	*	.	H	α-helix	trans	-70.3	-38.5	178.6	-72.9	117.6	0	0	0	112	G260 M265 I266	G260-W262 VanDerWaalsContact C-N 3.33Å; G260-W262 PolarHBondContact O-N 3.3Å; W262-M265 PolarHBondContact O-N 2.93Å; W262-I266 WeakPolarHBondContact O-CB 3.45Å; W262-I266 WeakPolarHBondContact O-CG1 3.42Å; W262-I266 PolarHBondContact O-N 3.42Å
263	T	93.3	Very high	91.1	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-66.9	-40.1	175.4	53.5	0	0	0	0	110.7	A235 Y258 G260 K267	A235-T263 HydrophobicContact CB-CG2 4.32Å; Y258-T263 WeakPolarHBondContact O-CB 3.31Å; Y258-T263 PolarHBondContact O-OG1 3.29Å; G260-T263 PolarHBondContact N-OG1 3.3Å; G260-T263 VanDerWaalsContact N-OG1 3.09Å; G260-T263 PolarHBondContact O-N 3.44Å; G260-T263 PolarHBondContact O-OG1 3.01Å; T263-K267 WeakPolarHBondContact O-CB 3.48Å; T263-K267 PolarHBondContact O-N 3.01Å
264	L	95.4	Very high	91.6	Very high	23 Å²	23	44.6 Å²	44.6	12%	0.12	22%	0.219	C	C	.	.	H	α-helix	trans	-54.2	-58	171.3	177.5	61.6	0	0	0	111.9	L144 G260 K261 I266 K267 T268 V290 C293 I297	L144-L264 HydrophobicContact CD1-CD1 4.15Å; G260-L264 PolarHBondContact O-N 2.85Å; G260-L264 VanDerWaalsContact O-N 3.15Å; K261-L264 WeakPolarHBondContact O-CB 3.02Å; K261-L264 PolarHBondContact O-N 3.31Å; L264-I266 PolarHBondContact O-N 2.99Å; L264-K267 PolarHBondContact O-N 3.08Å; L264-T268 PolarHBondContact O-N 3.45Å; L264-T268 PolarHBondContact O-OG1 3.43Å; L264-T268 VanDerWaalsContact O-OG1 3.05Å; L264-V290 HydrophobicContact CD1-CB 4.29Å; L264-V290 HydrophobicContact CD1-CG1 3.66Å; L264-C293 HydrophobicContact CB-CB 3.95Å; L264-C293 HydrophobicContact CD1-CB 3.99Å; L264-C293 HydrophobicContact CG-CB 4.39Å; L264-I297 HydrophobicContact CD2-CD1 3.59Å
265	M	95.1	Very high	92.1	Very high	109 Å²	109	43 Å²	43	54%	0.537	21%	0.211	S	C	.	.	H	α-helix	trans	-59.7	-48.4	-176.1	-71.6	-179.5	65.8	0	0	112.6	K261 W262 I269	K261-M265 WeakPolarHBondContact O-CG 3.45Å; K261-M265 PolarHBondContact O-N 3.01Å; K261-M265 VanDerWaalsContact O-N 3.1Å; W262-M265 PolarHBondContact O-N 2.93Å; M265-I269 WeakPolarHBondContact O-CG1 3.17Å; M265-I269 PolarHBondContact O-N 2.86Å
266	I	95.2	Very high	92.5	Very high	16 Å²	16	41.6 Å²	41.6	8%	0.082	21%	0.205	C	C	.	.	H	α-helix	trans	-68.4	-41.8	-178.3	-62.7	-62.4	0	0	0	110.6	F234 A235 A238 W262 L264 T268 I269 T270	F234-I266 HydrophobicContact CB-CD1 3.63Å; F234-I266 HydrophobicContact CB-CG1 3.79Å; F234-I266 HydrophobicContact CD2-CD1 4.29Å; F234-I266 HydrophobicContact CG-CD1 4.03Å; A235-I266 HydrophobicContact CB-CB 3.85Å; A235-I266 HydrophobicContact CB-CG1 3.93Å; A235-I266 HydrophobicContact CB-CG2 3.98Å; A238-I266 HydrophobicContact CB-CG2 4.3Å; W262-I266 WeakPolarHBondContact O-CB 3.45Å; W262-I266 WeakPolarHBondContact O-CG1 3.42Å; W262-I266 PolarHBondContact O-N 3.42Å; L264-I266 PolarHBondContact O-N 2.99Å; I266-T268 PolarHBondContact O-N 3.34Å; I266-I269 PolarHBondContact O-N 2.85Å; I266-T270 HydrophobicContact CG2-CG2 3.91Å; I266-T270 VanDerWaalsContact O-CB 3.32Å; I266-T270 WeakPolarHBondContact O-CB 3.39Å; I266-T270 VanDerWaalsContact O-CG2 3.29Å; I266-T270 WeakPolarHBondContact O-CG2 3.19Å; I266-T270 PolarHBondContact O-N 2.84Å; I266-T270 PolarHBondContact O-OG1 2.98Å
267	K	96.3	Very high	93.2	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	17%	0.172	C	C	.	.	H	α-helix	trans	-65.6	-38.8	-179.8	-166	165.5	-174.5	128.1	0	111.7	A238 G240 T263 L264 L271 H289 V290 P525	A238-K267 HydrophobicContact CB-CB 3.93Å; A238-K267 HydrophobicContact CB-CG 4.34Å; A238-K267 WeakPolarHBondContact O-CE 3.5Å; A238-K267 PolarHBondContact O-NZ 3.12Å; G240-K267 PolarHBondContact O-NZ 2.68Å; T263-K267 WeakPolarHBondContact O-CB 3.48Å; T263-K267 PolarHBondContact O-N 3.01Å; L264-K267 PolarHBondContact O-N 3.08Å; K267-L271 WeakPolarHBondContact O-CB 3.5Å; K267-L271 PolarHBondContact O-N 3.03Å; K267-H289 HydrophobicContact CD-CB 4.45Å; K267-H289 WeakPolarHBondContact CD-ND1 3.45Å; K267-H289 WeakPolarHBondContact CE-ND1 3.25Å; K267-H289 PolarHBondContact NZ-ND1 2.65Å; K267-V290 HydrophobicContact CG-CG2 4.44Å; K267-P525 HydrophobicContact CG-CB 4.31Å; K267-P525 HydrophobicContact CG-CG 4.37Å
268	T	95.4	Very high	93.6	Very high	17 Å²	17	31.5 Å²	31.5	10%	0.104	16%	0.158	C	C	.	.	H	α-helix	trans	-57.8	-54.5	173.6	-62.4	0	0	0	0	110.9	I148 L264 I266 L271 V272	I148-T268 HydrophobicContact CD1-CG2 4.04Å; I148-T268 HydrophobicContact CG1-CG2 3.87Å; L264-T268 PolarHBondContact O-N 3.45Å; L264-T268 PolarHBondContact O-OG1 3.43Å; L264-T268 VanDerWaalsContact O-OG1 3.05Å; I266-T268 PolarHBondContact O-N 3.34Å; T268-L271 PolarHBondContact O-N 3.5Å; T268-V272 VanDerWaalsContact O-CG2 3.24Å; T268-V272 WeakPolarHBondContact O-CG2 3.48Å; T268-V272 PolarHBondContact O-N 3.33Å
269	I	95.9	Very high	93.7	Very high	89 Å²	89	31.5 Å²	31.5	46%	0.456	16%	0.159	S	C	.	.	H	α-helix	trans	-64.6	-47.7	-177.5	-63.5	167.9	0	0	0	111.6	L230 M265 I266 L271 V272 L273	L230-I269 HydrophobicContact CD1-CG2 4.1Å; M265-I269 WeakPolarHBondContact O-CG1 3.17Å; M265-I269 PolarHBondContact O-N 2.86Å; I266-I269 PolarHBondContact O-N 2.85Å; I269-L271 VanDerWaalsContact C-N 3.3Å; I269-L271 PolarHBondContact O-N 3.06Å; I269-V272 PolarHBondContact O-N 3.35Å; I269-L273 HydrophobicContact CG2-CD1 4.18Å; I269-L273 PolarHBondContact O-N 3.06Å
270	T	95.5	Very high	93.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-72	-25.1	-175.3	54.6	0	0	0	0	113	L230 V231 I266 A274 P525	L230-T270 HydrophobicContact CB-CG2 3.44Å; L230-T270 VanDerWaalsContact CB-CG2 3.44Å; L230-T270 HydrophobicContact CD1-CG2 3.9Å; L230-T270 HydrophobicContact CG-CG2 4.33Å; V231-T270 HydrophobicContact CG2-CG2 3.91Å; I266-T270 HydrophobicContact CG2-CG2 3.91Å; I266-T270 VanDerWaalsContact O-CB 3.32Å; I266-T270 WeakPolarHBondContact O-CB 3.39Å; I266-T270 VanDerWaalsContact O-CG2 3.29Å; I266-T270 WeakPolarHBondContact O-CG2 3.19Å; I266-T270 PolarHBondContact O-N 2.84Å; I266-T270 PolarHBondContact O-OG1 2.98Å; T270-A274 WeakPolarHBondContact O-CB 3.3Å; T270-A274 PolarHBondContact O-N 3.25Å; T270-P525 WeakPolarHBondContact OG1-CG 3.41Å
271	L	95.1	Very high	93.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-65.1	-45	172.8	172.5	60.4	0	0	0	111.3	I148 K267 T268 I269 L273 A274 V275 K283 P286 P525	I148-L271 HydrophobicContact CD1-CD2 4.26Å; I148-L271 HydrophobicContact CG2-CD2 4.1Å; I148-L271 HydrophobicContact CG2-CG 4.49Å; K267-L271 WeakPolarHBondContact O-CB 3.5Å; K267-L271 PolarHBondContact O-N 3.03Å; T268-L271 PolarHBondContact O-N 3.5Å; I269-L271 VanDerWaalsContact C-N 3.3Å; I269-L271 PolarHBondContact O-N 3.06Å; L271-L273 VanDerWaalsContact C-N 3.33Å; L271-L273 PolarHBondContact O-N 2.84Å; L271-A274 PolarHBondContact O-N 3.32Å; L271-V275 HydrophobicContact CD1-CG2 4.11Å; L271-V275 WeakPolarHBondContact O-CG2 3.34Å; L271-V275 PolarHBondContact O-N 3.13Å; L271-K283 HydrophobicContact CD1-CB 3.9Å; L271-K283 HydrophobicContact CD2-CB 3.97Å; L271-K283 HydrophobicContact CG-CB 4.12Å; L271-P286 HydrophobicContact CD1-CB 3.91Å; L271-P286 HydrophobicContact CD1-CG 3.96Å; L271-P286 HydrophobicContact CD2-CB 3.8Å; L271-P286 HydrophobicContact CG-CB 4.39Å; L271-P525 HydrophobicContact CB-CB 4.3Å; L271-P525 HydrophobicContact CD1-CB 4.4Å
272	V	95.6	Very high	93.9	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.055	12%	0.123	C	C	.	.	H	α-helix	trans	-61.6	-45.1	178.7	-157.9	0	0	0	0	110.7	I148 A151 A152 M155 T268 I269 A274 V275 A276	I148-V272 HydrophobicContact CG1-CG2 4.32Å; I148-V272 HydrophobicContact CG2-CG2 4.36Å; A151-V272 HydrophobicContact CB-CG1 3.71Å; A151-V272 HydrophobicContact CB-CG2 4.44Å; A151-V272 WeakPolarHBondContact O-CG1 3.45Å; A152-V272 HydrophobicContact CB-CG1 3.77Å; M155-V272 HydrophobicContact CE-CB 3.45Å; M155-V272 VanDerWaalsContact CE-CB 3.45Å; M155-V272 HydrophobicContact CE-CG1 3.03Å; T268-V272 VanDerWaalsContact O-CG2 3.24Å; T268-V272 WeakPolarHBondContact O-CG2 3.48Å; T268-V272 PolarHBondContact O-N 3.33Å; I269-V272 PolarHBondContact O-N 3.35Å; V272-A274 PolarHBondContact O-N 3.01Å; V272-V275 PolarHBondContact O-N 2.75Å; V272-A276 VanDerWaalsContact O-CB 3.28Å; V272-A276 WeakPolarHBondContact O-CB 3.38Å; V272-A276 PolarHBondContact O-N 2.86Å
273	L	95.8	Very high	93.9	Very high	9 Å²	9	17.2 Å²	17.2	5%	0.047	10%	0.097	C	C	.	.	H	α-helix	trans	-63.8	-39	176.2	-65.4	170.7	0	0	0	112.9	M155 F223 L226 A227 L230 I269 L271 S277	M155-L273 HydrophobicContact CE-CD2 4.09Å; M155-L273 HydrophobicContact CE-CG 4.49Å; M155-L273 HydrophobicContact SD-CD2 3.84Å; F223-L273 HydrophobicContact CD1-CD2 3.92Å; F223-L273 HydrophobicContact CG-CD2 4.49Å; L226-L273 HydrophobicContact CB-CD1 4.23Å; L226-L273 HydrophobicContact CD2-CD1 3.63Å; L226-L273 HydrophobicContact CD2-CD2 4.04Å; L226-L273 HydrophobicContact CG-CD1 3.73Å; A227-L273 HydrophobicContact CB-CB 3.91Å; L230-L273 HydrophobicContact CD1-CD1 4.02Å; I269-L273 HydrophobicContact CG2-CD1 4.18Å; I269-L273 PolarHBondContact O-N 3.06Å; L271-L273 VanDerWaalsContact C-N 3.33Å; L271-L273 PolarHBondContact O-N 2.84Å; L273-S277 WeakPolarHBondContact O-CB 3.43Å; L273-S277 PolarHBondContact O-N 3.24Å
274	A	94.9	Very high	93.8	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-66.4	-42.1	179.6	0	0	0	0	0	111.7	T270 L271 V272 S277 L281	T270-A274 WeakPolarHBondContact O-CB 3.3Å; T270-A274 PolarHBondContact O-N 3.25Å; L271-A274 PolarHBondContact O-N 3.32Å; V272-A274 PolarHBondContact O-N 3.01Å; A274-S277 PolarHBondContact O-OG 3.13Å; A274-L281 HydrophobicContact CB-CD1 4.17Å
275	V	93.1	Very high	93.6	Very high	15 Å²	15	16 Å²	16	9%	0.091	9%	0.09	C	C	.	.	H	α-helix	trans	-67.8	-46.7	174.9	175.5	0	0	0	0	110.6	A152 L271 V272 S277 G278 K283	A152-V275 HydrophobicContact CB-CG1 4.46Å; L271-V275 HydrophobicContact CD1-CG2 4.11Å; L271-V275 WeakPolarHBondContact O-CG2 3.34Å; L271-V275 PolarHBondContact O-N 3.13Å; V272-V275 PolarHBondContact O-N 2.75Å; V275-S277 PolarHBondContact O-N 2.64Å; V275-S277 VanDerWaalsContact O-N 3.17Å; V275-G278 PolarHBondContact O-N 2.79Å; V275-G278 VanDerWaalsContact O-N 3.08Å; V275-K283 HydrophobicContact CG2-CB 4.19Å
276	A	93.1	Very high	93.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.8	-30.8	178.5	0	0	0	0	0	113.1	M155 K159 F223 V272 G278	M155-A276 HydrophobicContact CB-CB 3.59Å; K159-A276 VanDerWaalsContact CD-O 3.27Å; K159-A276 WeakPolarHBondContact CD-O 3.39Å; K159-A276 WeakPolarHBondContact CE-O 3.35Å; K159-A276 PolarHBondContact NZ-O 3.49Å; F223-A276 HydrophobicContact CD2-CB 3.89Å; F223-A276 HydrophobicContact CE2-CB 4.2Å; F223-A276 HydrophobicContact CG-CB 4.47Å; V272-A276 VanDerWaalsContact O-CB 3.28Å; V272-A276 WeakPolarHBondContact O-CB 3.38Å; V272-A276 PolarHBondContact O-N 2.86Å; A276-G278 PolarHBondContact O-N 2.9Å
277	S	93.8	Very high	93.6	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.021	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.7	177.4	75.3	0	0	0	0	114.9	A220 L273 A274 V275 L279	A220-S277 WeakPolarHBondContact CB-O 3.45Å; L273-S277 WeakPolarHBondContact O-CB 3.43Å; L273-S277 PolarHBondContact O-N 3.24Å; A274-S277 PolarHBondContact O-OG 3.13Å; V275-S277 PolarHBondContact O-N 2.64Å; V275-S277 VanDerWaalsContact O-N 3.17Å; S277-L279 PolarHBondContact O-N 3.47Å; S277-L279 WeakPolarHBondContact OG-CD1 3.44Å; S277-L279 WeakPolarHBondContact OG-CG 3.34Å
278	G	90	Very high	93.6	Very high	24 Å²	24	10.2 Å²	10.2	25%	0.247	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	7.4	179.7	0	0	0	0	0	114.5	V275 A276 T440	V275-G278 PolarHBondContact O-N 2.79Å; V275-G278 VanDerWaalsContact O-N 3.08Å; A276-G278 PolarHBondContact O-N 2.9Å; G278-T440 WeakPolarHBondContact O-CG2 3.47Å
279	L	91.9	Very high	93.6	Very high	5 Å²	5	9.5 Å²	9.5	3%	0.026	6%	0.057	C	C	.	.			trans	-58	149.4	168.2	-73.1	171.8	0	0	0	110.4	S277 L281 V436 A437 T519	S277-L279 PolarHBondContact O-N 3.47Å; S277-L279 WeakPolarHBondContact OG-CD1 3.44Å; S277-L279 WeakPolarHBondContact OG-CG 3.34Å; L279-L281 HydrophobicContact CB-CD1 3.48Å; L279-L281 VanDerWaalsContact CB-CD1 3.48Å; L279-L281 HydrophobicContact CB-CG 3.71Å; L279-L281 HydrophobicContact CD1-CD1 3.79Å; L279-L281 HydrophobicContact CG-CD1 4.29Å; L279-L281 PolarHBondContact O-N 3.24Å; L279-V436 HydrophobicContact CD2-CG1 3.97Å; L279-A437 HydrophobicContact CD2-CB 4.01Å; L279-A437 HydrophobicContact CG-CB 4.41Å; L279-T519 HydrophobicContact CB-CG2 3.97Å; L279-T519 HydrophobicContact CD2-CG2 4.24Å
280	S	92.1	Very high	93.6	Very high	6 Å²	6	5.4 Å²	5.4	4%	0.042	4%	0.036	C	C	.	.	S	Bend	trans	-72.5	74.6	177.1	-170.8	0	0	0	0	111.1	T516	S280-T516 PolarHBondContact OG-OG1 3.2Å
281	L	92.1	Very high	93.7	Very high	8 Å²	8	5.4 Å²	5.4	4%	0.042	4%	0.037	C	C	.	.			trans	-138.6	155.7	-170.7	-63.2	175.5	0	0	0	110.5	A274 L279 T519 V524	A274-L281 HydrophobicContact CB-CD1 4.17Å; L279-L281 HydrophobicContact CB-CD1 3.48Å; L279-L281 VanDerWaalsContact CB-CD1 3.48Å; L279-L281 HydrophobicContact CB-CG 3.71Å; L279-L281 HydrophobicContact CD1-CD1 3.79Å; L279-L281 HydrophobicContact CG-CD1 4.29Å; L279-L281 PolarHBondContact O-N 3.24Å; L281-T519 HydrophobicContact CD1-CG2 4.23Å; L281-T519 HydrophobicContact CD2-CG2 3.38Å; L281-T519 HydrophobicContact CG-CG2 3.56Å; L281-V524 HydrophobicContact CD1-CG2 4.18Å
282	G	91.1	Very high	93.8	Very high	4 Å²	4	5.4 Å²	5.4	4%	0.041	4%	0.036	C	C	.	.	B	Isolated β-bridge	trans	-123	158.4	169.5	0	0	0	0	0	113.4	G527	G282-G527 PolarHBondContact N-O 3.5Å; G282-G527 WeakPolarHBondContact O-CA 3.48Å; G282-G527 PolarHBondContact O-N 2.96Å
283	K	91.9	Very high	93.8	Very high	15 Å²	15	5 Å²	5	7%	0.065	3%	0.034	C	C	.	.	S	Bend	trans	-83.2	-22	174.1	58.8	-172	174.5	70.4	0	114.7	I148 D149 L271 V275 G285 P286 L287	I148-K283 HydrophobicContact CG2-CD 4.19Å; D149-K283 VanDerWaalsContact CG-NZ 3.32Å; D149-K283 VanDerWaalsContact OD1-CD 3.25Å; D149-K283 WeakPolarHBondContact OD1-CD 3.36Å; D149-K283 WeakPolarHBondContact OD1-CE 3.37Å; D149-K283 IonicContact OD1-NZ 2.75Å; D149-K283 PolarHBondContact OD1-NZ 3.37Å; D149-K283 IonicContact OD2-NZ 3.2Å; D149-K283 PolarHBondContact OD2-NZ 3.48Å; L271-K283 HydrophobicContact CD1-CB 3.9Å; L271-K283 HydrophobicContact CD2-CB 3.97Å; L271-K283 HydrophobicContact CG-CB 4.12Å; V275-K283 HydrophobicContact CG2-CB 4.19Å; K283-G285 PolarHBondContact O-N 2.93Å; K283-P286 VanDerWaalsContact O-CD 3.31Å; K283-P286 WeakPolarHBondContact O-CD 3.35Å; K283-L287 HydrophobicContact CG-CD1 4.29Å; K283-L287 WeakPolarHBondContact O-CG 3.45Å; K283-L287 PolarHBondContact O-N 3.18Å
284	E	90.4	Very high	93.8	Very high	4 Å²	4	4.9 Å²	4.9	2%	0.019	3%	0.034	C	C	.	.	H	α-helix	trans	-62	-41.3	-168.9	-46.9	-43.9	152.1	0	0	114.4	L287 A327 F328 F529 I530	E284-L287 PolarHBondContact O-N 3.25Å; E284-L287 WeakPolarHBondContact OE2-CD1 3.4Å; E284-A327 HydrophobicContact CB-CB 3.9Å; E284-A327 VanDerWaalsContact CD-O 3.29Å; E284-A327 HydrophobicContact CG-CB 4.35Å; E284-A327 VanDerWaalsContact OE2-C 3.26Å; E284-A327 WeakPolarHBondContact OE2-CA 3.5Å; E284-A327 WeakPolarHBondContact OE2-CB 3.36Å; E284-F328 HydrophobicContact CB-CE1 4.2Å; E284-F328 HydrophobicContact CB-CE2 4.22Å; E284-F328 HydrophobicContact CB-CZ 3.76Å; E284-F328 HydrophobicContact CG-CE1 3.93Å; E284-F328 HydrophobicContact CG-CZ 4.03Å; E284-F529 HydrophobicContact CB-CB 4.35Å; E284-F529 HydrophobicContact CB-CD2 4.38Å; E284-I530 HydrophobicContact CG-CD1 3.96Å; E284-I530 HydrophobicContact CG-CG1 3.69Å
285	G	91.1	Very high	93.8	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-64.6	-54.4	176.3	0	0	0	0	0	112.7	S241 K283 L287 V288	S241-G285 WeakPolarHBondContact OG-CA 3.34Å; K283-G285 PolarHBondContact O-N 2.93Å; G285-L287 VanDerWaalsContact C-N 3.27Å; G285-L287 PolarHBondContact O-N 3.49Å; G285-V288 WeakPolarHBondContact O-CB 3.43Å; G285-V288 PolarHBondContact O-N 3.47Å
286	P	95.3	Very high	93.9	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-55.4	-32.4	173.4	-33.9	40.4	0	0	0	115.8	S241 L271 K283 V288 H289 V290 P525	S241-P286 WeakPolarHBondContact O-CA 3.42Å; L271-P286 HydrophobicContact CD1-CB 3.91Å; L271-P286 HydrophobicContact CD1-CG 3.96Å; L271-P286 HydrophobicContact CD2-CB 3.8Å; L271-P286 HydrophobicContact CG-CB 4.39Å; K283-P286 VanDerWaalsContact O-CD 3.31Å; K283-P286 WeakPolarHBondContact O-CD 3.35Å; P286-V288 VanDerWaalsContact C-N 3.27Å; P286-V288 PolarHBondContact O-N 2.93Å; P286-H289 WeakPolarHBondContact O-CB 3.25Å; P286-H289 PolarHBondContact O-N 3.41Å; P286-H289 VanDerWaalsContact O-N 3.07Å; P286-V290 WeakPolarHBondContact O-CG2 3.44Å; P286-V290 PolarHBondContact O-N 2.74Å; P286-P525 HydrophobicContact CG-CB 4.39Å
287	L	95	Very high	94	Very high	3 Å²	3	7.2 Å²	7.2	2%	0.016	5%	0.045	C	C	.	.	H	α-helix	trans	-60.3	-35	176.2	-78.6	173.5	0	0	0	112.5	A145 I148 K283 E284 G285 H289 V290 A291 A327	A145-L287 HydrophobicContact CB-CD2 4.14Å; I148-L287 HydrophobicContact CD1-CD2 3.49Å; I148-L287 VanDerWaalsContact CD1-CD2 3.49Å; K283-L287 HydrophobicContact CG-CD1 4.29Å; K283-L287 WeakPolarHBondContact O-CG 3.45Å; K283-L287 PolarHBondContact O-N 3.18Å; E284-L287 PolarHBondContact O-N 3.25Å; E284-L287 WeakPolarHBondContact OE2-CD1 3.4Å; G285-L287 VanDerWaalsContact C-N 3.27Å; G285-L287 PolarHBondContact O-N 3.49Å; L287-H289 VanDerWaalsContact C-N 3.31Å; L287-H289 PolarHBondContact O-N 3.46Å; L287-V290 PolarHBondContact O-N 2.73Å; L287-A291 WeakPolarHBondContact O-CB 3.47Å; L287-A291 PolarHBondContact O-N 3.47Å; L287-A327 HydrophobicContact CB-CB 4.44Å; L287-A327 HydrophobicContact CD1-CB 4.08Å
288	V	95.9	Very high	94	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.012	5%	0.053	C	C	.	.	H	α-helix	trans	-59.5	-43.5	172.9	-172.3	0	0	0	0	111.1	I243 G285 P286 C292 V324	I243-V288 HydrophobicContact CD1-CG2 4.42Å; I243-V288 HydrophobicContact CG1-CB 4.35Å; G285-V288 WeakPolarHBondContact O-CB 3.43Å; G285-V288 PolarHBondContact O-N 3.47Å; P286-V288 VanDerWaalsContact C-N 3.27Å; P286-V288 PolarHBondContact O-N 2.93Å; V288-C292 PolarHBondContact O-N 2.94Å; V288-C292 PolarHBondContact O-SG 3.01Å; V288-V324 HydrophobicContact CG1-CG2 4.47Å; V288-V324 HydrophobicContact CG2-CG2 3.46Å; V288-V324 VanDerWaalsContact CG2-CG2 3.46Å
289	H	96.1	Very high	94.2	Very high	1 Å²	1	8 Å²	8	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-68.6	-42.3	177.7	-177.3	-151.2	0	0	0	111.8	Y258 K267 P286 L287 A291 C292 C293	Y258-H289 AromaticContact CD1-NE2 3.47Å; Y258-H289 WeakPolarHBondContact CD1-NE2 3.33Å; Y258-H289 AromaticContact CE1-CD2 3.56Å; Y258-H289 AromaticContact CE1-CE1 3.44Å; Y258-H289 VanDerWaalsContact CE1-CE1 3.44Å; Y258-H289 WeakPolarHBondContact CE1-CE1 3.48Å; Y258-H289 AromaticContact CE1-NE2 3.03Å; Y258-H289 WeakPolarHBondContact CE1-NE2 3.47Å; Y258-H289 AromaticContact CZ-CE1 3.35Å; Y258-H289 AromaticContact CZ-ND1 3.94Å; Y258-H289 AromaticContact CZ-NE2 3.5Å; Y258-H289 PolarHBondContact OH-CE1 3.03Å; K267-H289 HydrophobicContact CD-CB 4.45Å; K267-H289 WeakPolarHBondContact CD-ND1 3.45Å; K267-H289 WeakPolarHBondContact CE-ND1 3.25Å; K267-H289 PolarHBondContact NZ-ND1 2.65Å; P286-H289 WeakPolarHBondContact O-CB 3.25Å; P286-H289 PolarHBondContact O-N 3.41Å; P286-H289 VanDerWaalsContact O-N 3.07Å; L287-H289 VanDerWaalsContact C-N 3.31Å; L287-H289 PolarHBondContact O-N 3.46Å; H289-A291 VanDerWaalsContact C-N 3.33Å; H289-A291 PolarHBondContact O-N 3.26Å; H289-C292 WeakPolarHBondContact O-CB 2.84Å; H289-C292 PolarHBondContact O-N 3.39Å; H289-C293 PolarHBondContact NE2-SG 3.2Å; H289-C293 VanDerWaalsContact NE2-SG 3.38Å; H289-C293 PolarHBondContact O-N 2.78Å; H289-C293 PolarHBondContact O-SG 3.25Å; H289-C293 VanDerWaalsContact O-SG 3.39Å
290	V	96.8	Very high	94.1	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.018	6%	0.064	C	C	.	.	H	α-helix	trans	-56.5	-47.2	175.5	167.6	0	0	0	0	110.5	L144 L264 K267 P286 L287 C292 C293 C294	L144-V290 HydrophobicContact CB-CG1 4.43Å; L144-V290 HydrophobicContact CD1-CG1 4.09Å; L264-V290 HydrophobicContact CD1-CB 4.29Å; L264-V290 HydrophobicContact CD1-CG1 3.66Å; K267-V290 HydrophobicContact CG-CG2 4.44Å; P286-V290 WeakPolarHBondContact O-CG2 3.44Å; P286-V290 PolarHBondContact O-N 2.74Å; L287-V290 PolarHBondContact O-N 2.73Å; V290-C292 PolarHBondContact O-N 2.84Å; V290-C293 WeakPolarHBondContact O-CB 3.39Å; V290-C293 PolarHBondContact O-N 3.44Å; V290-C294 PolarHBondContact O-N 2.99Å; V290-C294 PolarHBondContact O-SG 3.45Å; V290-C294 VanDerWaalsContact O-SG 3.42Å
291	A	97	Very high	94	Very high	1 Å²	1	19 Å²	19	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-61.9	-43.1	176.2	0	0	0	0	0	112.3	S141 L287 H289 C293 C294 G295 A319	S141-A291 WeakPolarHBondContact OG-CB 3.33Å; L287-A291 WeakPolarHBondContact O-CB 3.47Å; L287-A291 PolarHBondContact O-N 3.47Å; H289-A291 VanDerWaalsContact C-N 3.33Å; H289-A291 PolarHBondContact O-N 3.26Å; A291-C293 VanDerWaalsContact C-N 3.32Å; A291-C293 PolarHBondContact O-N 3.35Å; A291-C294 WeakPolarHBondContact O-CB 3.36Å; A291-C294 PolarHBondContact O-N 2.93Å; A291-C294 VanDerWaalsContact O-N 3.16Å; A291-G295 PolarHBondContact O-N 3.36Å; A291-A319 WeakPolarHBondContact CB-O 2.96Å
292	C	96.6	Very high	93.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.1	-38.3	175.1	-69.4	0	0	0	0	112.7	I246 L259 V288 H289 V290 G295 N296 L316	I246-C292 HydrophobicContact CD1-CB 3.79Å; I246-C292 HydrophobicContact CG1-CB 4.4Å; L259-C292 HydrophobicContact CD2-CB 3.92Å; V288-C292 PolarHBondContact O-N 2.94Å; V288-C292 PolarHBondContact O-SG 3.01Å; H289-C292 WeakPolarHBondContact O-CB 2.84Å; H289-C292 PolarHBondContact O-N 3.39Å; V290-C292 PolarHBondContact O-N 2.84Å; C292-G295 PolarHBondContact O-N 3.22Å; C292-N296 WeakPolarHBondContact O-CB 3.03Å; C292-N296 PolarHBondContact O-N 2.71Å; C292-L316 HydrophobicContact CB-CD2 4.4Å; C292-L316 WeakPolarHBondContact O-CD2 3.25Å
293	C	95.9	Very high	93.6	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.014	11%	0.112	C	C	.	.	H	α-helix	trans	-62.9	-43.5	173.6	-72.7	0	0	0	0	111.6	L264 H289 V290 A291 N296 I297	L264-C293 HydrophobicContact CB-CB 3.95Å; L264-C293 HydrophobicContact CD1-CB 3.99Å; L264-C293 HydrophobicContact CG-CB 4.39Å; H289-C293 PolarHBondContact NE2-SG 3.2Å; H289-C293 VanDerWaalsContact NE2-SG 3.38Å; H289-C293 PolarHBondContact O-N 2.78Å; H289-C293 PolarHBondContact O-SG 3.25Å; H289-C293 VanDerWaalsContact O-SG 3.39Å; V290-C293 WeakPolarHBondContact O-CB 3.39Å; V290-C293 PolarHBondContact O-N 3.44Å; A291-C293 VanDerWaalsContact C-N 3.32Å; A291-C293 PolarHBondContact O-N 3.35Å; C293-N296 PolarHBondContact O-N 2.99Å; C293-I297 VanDerWaalsContact O-CG1 3.28Å; C293-I297 WeakPolarHBondContact O-CG1 3.34Å; C293-I297 PolarHBondContact O-N 3.31Å
294	C	96.1	Very high	93.3	Very high	5 Å²	5	23 Å²	23	3%	0.034	11%	0.114	C	C	.	.	H	α-helix	trans	-58.7	-48.8	172.9	-66	0	0	0	0	111.5	A140 L144 V290 A291 N296 I297 F298	A140-C294 HydrophobicContact CB-CB 4.37Å; L144-C294 WeakPolarHBondContact CD1-SG 3.25Å; V290-C294 PolarHBondContact O-N 2.99Å; V290-C294 PolarHBondContact O-SG 3.45Å; V290-C294 VanDerWaalsContact O-SG 3.42Å; A291-C294 WeakPolarHBondContact O-CB 3.36Å; A291-C294 PolarHBondContact O-N 2.93Å; A291-C294 VanDerWaalsContact O-N 3.16Å; C294-N296 VanDerWaalsContact C-N 3.3Å; C294-N296 PolarHBondContact O-N 3.18Å; C294-I297 PolarHBondContact O-N 3.1Å; C294-F298 HydrophobicContact CB-CD2 4.46Å; C294-F298 HydrophobicContact CB-CE2 4.19Å; C294-F298 WeakPolarHBondContact O-CD2 3.25Å; C294-F298 PolarHBondContact O-N 3.14Å
295	G	95.4	Very high	93.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.3	-39.2	177.5	0	0	0	0	0	113	A291 C292 S299	A291-G295 PolarHBondContact O-N 3.36Å; C292-G295 PolarHBondContact O-N 3.22Å; G295-S299 VanDerWaalsContact O-CB 3.28Å; G295-S299 WeakPolarHBondContact O-CB 3.34Å; G295-S299 PolarHBondContact O-N 3.02Å; G295-S299 PolarHBondContact O-OG 3.38Å
296	N	95.1	Very high	93	Very high	9 Å²	9	24.8 Å²	24.8	5%	0.048	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-45.5	174.9	-174	55.9	0	0	0	112.2	L259 C292 C293 C294 S299 Y300 K312 L316	L259-N296 HydrophobicContact CB-CB 3.81Å; L259-N296 VanDerWaalsContact CB-ND2 3.3Å; L259-N296 WeakPolarHBondContact CB-ND2 3.32Å; L259-N296 HydrophobicContact CD1-CB 4.16Å; L259-N296 PolarHBondContact O-ND2 3.48Å; C292-N296 WeakPolarHBondContact O-CB 3.03Å; C292-N296 PolarHBondContact O-N 2.71Å; C293-N296 PolarHBondContact O-N 2.99Å; C294-N296 VanDerWaalsContact C-N 3.3Å; C294-N296 PolarHBondContact O-N 3.18Å; N296-S299 WeakPolarHBondContact O-CB 3.33Å; N296-S299 PolarHBondContact O-N 3.39Å; N296-Y300 WeakPolarHBondContact O-CD2 3.19Å; N296-Y300 PolarHBondContact O-N 3.09Å; N296-K312 WeakPolarHBondContact OD1-CE 3.26Å; N296-K312 PolarHBondContact OD1-NZ 3.21Å; N296-K312 VanDerWaalsContact OD1-NZ 3.14Å; N296-L316 HydrophobicContact CB-CD2 4.05Å
297	I	94.4	Very high	92.4	Very high	56 Å²	56	32 Å²	32	29%	0.287	16%	0.158	S	C	.	.	H	α-helix	trans	-62.8	-46.8	179.2	-68.5	165.1	0	0	0	110.7	K261 L264 C293 C294 S299 Y300	K261-I297 HydrophobicContact CB-CD1 4.1Å; L264-I297 HydrophobicContact CD2-CD1 3.59Å; C293-I297 VanDerWaalsContact O-CG1 3.28Å; C293-I297 WeakPolarHBondContact O-CG1 3.34Å; C293-I297 PolarHBondContact O-N 3.31Å; C294-I297 PolarHBondContact O-N 3.1Å; I297-S299 VanDerWaalsContact C-N 3.33Å; I297-S299 PolarHBondContact O-N 3.01Å; I297-Y300 WeakPolarHBondContact O-CB 3.15Å; I297-Y300 PolarHBondContact O-N 3.25Å
298	F	94.4	Very high	92	Very high	44 Å²	44	32.3 Å²	32.3	19%	0.193	16%	0.16	C	C	.	.	H	α-helix	trans	-68.4	-32.4	177.8	-65.2	-54.1	0	0	0	112.6	L136 A140 C294 Y300 L301 F302	L136-F298 HydrophobicContact CB-CD1 4.16Å; L136-F298 HydrophobicContact CB-CD2 4.06Å; L136-F298 HydrophobicContact CB-CE1 4.33Å; L136-F298 HydrophobicContact CB-CE2 4.23Å; L136-F298 HydrophobicContact CB-CG 4.04Å; L136-F298 HydrophobicContact CB-CZ 4.36Å; L136-F298 HydrophobicContact CD1-CD1 4.22Å; L136-F298 WeakPolarHBondContact O-CE2 3.4Å; A140-F298 HydrophobicContact CB-CE2 3.52Å; A140-F298 HydrophobicContact CB-CZ 3.81Å; C294-F298 HydrophobicContact CB-CD2 4.46Å; C294-F298 HydrophobicContact CB-CE2 4.19Å; C294-F298 WeakPolarHBondContact O-CD2 3.25Å; C294-F298 PolarHBondContact O-N 3.14Å; F298-Y300 PolarHBondContact O-N 3.49Å; F298-L301 HydrophobicContact CD1-CD1 3.82Å; F298-L301 WeakPolarHBondContact O-CB 3.34Å; F298-L301 PolarHBondContact O-N 2.56Å; F298-F302 WeakPolarHBondContact O-CD2 3.17Å
299	S	92.9	Very high	91.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.6	-28.6	174.2	-66.2	0	0	0	0	112.8	G295 N296 I297 L301 F302 S306 V315	G295-S299 VanDerWaalsContact O-CB 3.28Å; G295-S299 WeakPolarHBondContact O-CB 3.34Å; G295-S299 PolarHBondContact O-N 3.02Å; G295-S299 PolarHBondContact O-OG 3.38Å; N296-S299 WeakPolarHBondContact O-CB 3.33Å; N296-S299 PolarHBondContact O-N 3.39Å; I297-S299 VanDerWaalsContact C-N 3.33Å; I297-S299 PolarHBondContact O-N 3.01Å; S299-L301 VanDerWaalsContact C-N 3.32Å; S299-L301 PolarHBondContact O-N 3.43Å; S299-F302 PolarHBondContact O-N 2.75Å; S299-F302 VanDerWaalsContact O-O 3.07Å; S299-S306 PolarHBondContact O-N 2.83Å; S299-V315 WeakPolarHBondContact OG-CG1 3.42Å
300	Y	90.3	Very high	91	Very high	127 Å²	127	34.9 Å²	34.9	50%	0.498	17%	0.173	S	C	.	.	H	α-helix	trans	-70.6	-25.3	175.7	-75.2	-66.2	0	0	0	113.8	N296 I297 F298 F302 K312	N296-Y300 WeakPolarHBondContact O-CD2 3.19Å; N296-Y300 PolarHBondContact O-N 3.09Å; I297-Y300 WeakPolarHBondContact O-CB 3.15Å; I297-Y300 PolarHBondContact O-N 3.25Å; F298-Y300 PolarHBondContact O-N 3.49Å; Y300-F302 PolarHBondContact O-N 2.83Å; Y300-K312 PolarHBondContact OH-NZ 3.07Å; Y300-K312 VanDerWaalsContact OH-NZ 3.15Å
301	L	89.2	Confident	90.6	Very high	114 Å²	114	36.9 Å²	36.9	60%	0.597	18%	0.182	S	C	*	.	H	α-helix	trans	-68.8	-22.7	177.4	-61.3	174.7	0	0	0	112.4	F298 S299	F298-L301 HydrophobicContact CD1-CD1 3.82Å; F298-L301 WeakPolarHBondContact O-CB 3.34Å; F298-L301 PolarHBondContact O-N 2.56Å; S299-L301 VanDerWaalsContact C-N 3.32Å; S299-L301 PolarHBondContact O-N 3.43Å
302	F	89.8	Confident	90.4	Very high	13 Å²	13	37.4 Å²	37.4	6%	0.057	18%	0.184	C	C	.	.	S	Bend	trans	-111.9	114.1	-176.4	-64.1	-92.3	0	0	0	110.2	Y125 L132 V133 L136 F298 S299 Y300 K304 Y305 S306	Y125-F302 HydrophobicContact CE1-CD1 4.49Å; Y125-F302 HydrophobicContact CE2-CE1 4.25Å; Y125-F302 AromaticContact CZ-CD1 3.93Å; Y125-F302 AromaticContact CZ-CE1 3.85Å; Y125-F302 WeakPolarHBondContact OH-CD1 3.48Å; Y125-F302 WeakPolarHBondContact OH-CE1 3.19Å; L132-F302 HydrophobicContact CD1-CE1 4.24Å; L132-F302 HydrophobicContact CD1-CZ 4.15Å; L132-F302 HydrophobicContact CD2-CE1 4.24Å; L132-F302 HydrophobicContact CD2-CE2 4.12Å; L132-F302 HydrophobicContact CD2-CZ 3.41Å; L132-F302 VanDerWaalsContact CD2-CZ 3.41Å; L132-F302 HydrophobicContact CG-CZ 4.25Å; V133-F302 HydrophobicContact CG2-CB 4.18Å; V133-F302 HydrophobicContact CG2-CD1 4.25Å; V133-F302 HydrophobicContact CG2-CD2 3.12Å; V133-F302 HydrophobicContact CG2-CE2 3.47Å; V133-F302 VanDerWaalsContact CG2-CE2 3.47Å; V133-F302 HydrophobicContact CG2-CG 3.58Å; V133-F302 HydrophobicContact CG2-CZ 4.19Å; L136-F302 HydrophobicContact CD1-CE2 4.37Å; F298-F302 WeakPolarHBondContact O-CD2 3.17Å; S299-F302 PolarHBondContact O-N 2.75Å; S299-F302 VanDerWaalsContact O-O 3.07Å; Y300-F302 PolarHBondContact O-N 2.83Å; F302-K304 PolarHBondContact O-N 2.85Å; F302-Y305 HydrophobicContact CB-CD2 3.95Å; F302-Y305 PolarHBondContact O-N 2.8Å; F302-S306 WeakPolarHBondContact O-CB 3.38Å; F302-S306 PolarHBondContact O-N 3.4Å
303	P	85.9	Confident	90.1	Very high	75 Å²	75	37.7 Å²	37.7	49%	0.487	19%	0.185	S	C	.	.	H	α-helix	trans	-56.1	-28.5	-178	-28.2	35.1	0	0	0	114.5	Y305 K307	P303-Y305 VanDerWaalsContact C-N 3.33Å; P303-Y305 PolarHBondContact O-N 2.89Å; P303-K307 WeakPolarHBondContact O-CB 3.14Å; P303-K307 PolarHBondContact O-N 3.09Å; P303-K307 VanDerWaalsContact O-N 3.17Å
304	K	86.6	Confident	89.9	Confident	24 Å²	24	39.2 Å²	39.2	10%	0.104	19%	0.192	C	C	.	.	H	α-helix	trans	-55.9	-44.2	174.1	176.8	174.6	-169.6	154.8	0	112.6	D126 S129 F302 N308	D126-K304 PolarHBondContact O-NZ 2.94Å; D126-K304 WeakPolarHBondContact OD1-CD 3.3Å; D126-K304 IonicContact OD1-NZ 3.74Å; D126-K304 IonicContact OD2-NZ 3.55Å; D126-K304 PolarHBondContact OD2-NZ 3.41Å; S129-K304 WeakPolarHBondContact OG-CD 3.45Å; F302-K304 PolarHBondContact O-N 2.85Å; K304-N308 WeakPolarHBondContact O-CB 3.41Å
305	Y	88.2	Confident	89.9	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-93.2	-35	-176.4	-66.3	-78	0	0	0	111.7	G130 V133 F302 P303 K307 N308 K311 V315	G130-Y305 WeakPolarHBondContact CA-OH 3.27Å; V133-Y305 HydrophobicContact CG2-CD2 3.97Å; V133-Y305 HydrophobicContact CG2-CE2 4.1Å; F302-Y305 HydrophobicContact CB-CD2 3.95Å; F302-Y305 PolarHBondContact O-N 2.8Å; P303-Y305 VanDerWaalsContact C-N 3.33Å; P303-Y305 PolarHBondContact O-N 2.89Å; Y305-K307 PolarHBondContact O-N 2.88Å; Y305-N308 VanDerWaalsContact O-O 3.14Å; Y305-K311 HydrophobicContact CD1-CB 3.82Å; Y305-K311 WeakPolarHBondContact CD1-O 3.42Å; Y305-K311 HydrophobicContact CE1-CB 4Å; Y305-V315 HydrophobicContact CD1-CG2 3.45Å; Y305-V315 VanDerWaalsContact CD1-CG2 3.45Å; Y305-V315 HydrophobicContact CE1-CG2 3.49Å; Y305-V315 VanDerWaalsContact CE1-CG2 3.49Å; Y305-V315 HydrophobicContact CG-CG2 4.13Å
306	S	86.8	Confident	89.8	Confident	41 Å²	41	39.3 Å²	39.3	29%	0.287	19%	0.192	S	C	.	.	H	α-helix	trans	-62.4	-38.6	177.9	-176.9	0	0	0	0	113.5	S299 F302	S299-S306 PolarHBondContact O-N 2.83Å; F302-S306 WeakPolarHBondContact O-CB 3.38Å; F302-S306 PolarHBondContact O-N 3.4Å
307	K	82.6	Confident	89.8	Confident	151 Å²	151	39.1 Å²	39.1	66%	0.657	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-3.9	-176.2	-63.4	-176.1	178	-177.2	0	114.7	K101 P303 Y305	K101-K307 PolarHBondContact NZ-O 2.86Å; K101-K307 VanDerWaalsContact NZ-O 3.09Å; P303-K307 WeakPolarHBondContact O-CB 3.14Å; P303-K307 PolarHBondContact O-N 3.09Å; P303-K307 VanDerWaalsContact O-N 3.17Å; Y305-K307 PolarHBondContact O-N 2.88Å
308	N	86.6	Confident	89.9	Confident	10 Å²	10	36.6 Å²	36.6	5%	0.053	18%	0.179	C	C	.	.			trans	-128.6	104.4	-178.6	-173.6	-32.2	0	0	0	110.1	E98 K304 Y305 A310 K311 K312	E98-N308 PolarHBondContact O-ND2 2.97Å; E98-N308 WeakPolarHBondContact OE2-CA 3.49Å; E98-N308 PolarHBondContact OE2-OD1 3.19Å; K304-N308 WeakPolarHBondContact O-CB 3.41Å; Y305-N308 VanDerWaalsContact O-O 3.14Å; N308-A310 VanDerWaalsContact C-N 3.27Å; N308-A310 PolarHBondContact O-N 3.25Å; N308-A310 WeakPolarHBondContact OD1-CB 3.43Å; N308-A310 PolarHBondContact OD1-N 3.47Å; N308-K311 HydrophobicContact CB-CB 4.17Å; N308-K311 HydrophobicContact CB-CG 4.33Å; N308-K311 PolarHBondContact O-N 3.36Å; N308-K311 PolarHBondContact OD1-N 3.39Å; N308-K311 VanDerWaalsContact OD1-N 3.13Å; N308-K312 WeakPolarHBondContact O-CB 3.43Å; N308-K312 PolarHBondContact O-N 3.06Å
309	E	84.6	Confident	90	Very high	49 Å²	49	34.5 Å²	34.5	23%	0.229	17%	0.17	C	C	.	.	H	α-helix	trans	-68.5	-22.4	-176.7	-79.8	-67.7	148.7	0	0	113.3	I93 K312 R313	I93-E309 HydrophobicContact CD1-CB 3.65Å; I93-E309 HydrophobicContact CG1-CB 4.29Å; E309-K312 IonicContact OE1-NZ 2.8Å; E309-K312 PolarHBondContact OE1-NZ 3.41Å; E309-R313 WeakPolarHBondContact O-CG 3.31Å; E309-R313 PolarHBondContact O-N 3.47Å; E309-R313 PolarHBondContact O-NH1 2.73Å; E309-R313 IonicContact OE2-NH1 2.74Å; E309-R313 PolarHBondContact OE2-NH1 2.8Å; E309-R313 VanDerWaalsContact OE2-NH1 3.09Å
310	A	86.6	Confident	90.2	Very high	8 Å²	8	34.5 Å²	34.5	7%	0.066	17%	0.17	C	C	.	.	H	α-helix	trans	-75.3	-47.2	174.9	0	0	0	0	0	110.6	I93 W95 E98 N308 K312 R313 E314	I93-A310 HydrophobicContact CD1-CB 3.91Å; W95-A310 HydrophobicContact CE3-CB 3.68Å; W95-A310 HydrophobicContact CZ3-CB 3.79Å; E98-A310 HydrophobicContact CB-CB 3.96Å; N308-A310 VanDerWaalsContact C-N 3.27Å; N308-A310 PolarHBondContact O-N 3.25Å; N308-A310 WeakPolarHBondContact OD1-CB 3.43Å; N308-A310 PolarHBondContact OD1-N 3.47Å; A310-K312 VanDerWaalsContact C-N 3.29Å; A310-K312 PolarHBondContact O-N 2.87Å; A310-R313 WeakPolarHBondContact O-CB 3.42Å; A310-R313 PolarHBondContact O-N 3.36Å; A310-R313 VanDerWaalsContact O-N 3.14Å; A310-E314 PolarHBondContact O-N 3.04Å
311	K	88.7	Confident	90.5	Very high	44 Å²	44	28.4 Å²	28.4	19%	0.191	15%	0.146	C	C	.	.	H	α-helix	trans	-64	-35.3	175.8	-70.9	-61	-179.9	-165.9	0	112.6	D102 Y305 N308 R313 E314 V315	D102-K311 WeakPolarHBondContact OD2-CE 3.4Å; D102-K311 IonicContact OD2-NZ 2.68Å; Y305-K311 HydrophobicContact CD1-CB 3.82Å; Y305-K311 WeakPolarHBondContact CD1-O 3.42Å; Y305-K311 HydrophobicContact CE1-CB 4Å; N308-K311 HydrophobicContact CB-CB 4.17Å; N308-K311 HydrophobicContact CB-CG 4.33Å; N308-K311 PolarHBondContact O-N 3.36Å; N308-K311 PolarHBondContact OD1-N 3.39Å; N308-K311 VanDerWaalsContact OD1-N 3.13Å; K311-R313 VanDerWaalsContact C-N 3.3Å; K311-R313 PolarHBondContact O-N 3.49Å; K311-E314 WeakPolarHBondContact CD-OE1 3.41Å; K311-E314 WeakPolarHBondContact CD-OE2 3.48Å; K311-E314 IonicContact NZ-OE1 3.68Å; K311-E314 PolarHBondContact NZ-OE1 3.35Å; K311-E314 IonicContact NZ-OE2 3.94Å; K311-E314 PolarHBondContact NZ-OE2 3.22Å; K311-E314 WeakPolarHBondContact O-CB 3.44Å; K311-E314 PolarHBondContact O-N 2.86Å; K311-V315 PolarHBondContact O-N 3.4Å
312	K	91.3	Very high	90.9	Very high	13 Å²	13	23 Å²	23	6%	0.057	12%	0.117	C	C	.	.	H	α-helix	trans	-58.5	-40.5	172.7	-172.8	177.4	175.2	-178.8	0	112.5	N296 Y300 N308 E309 A310 E314 V315 L316	N296-K312 WeakPolarHBondContact OD1-CE 3.26Å; N296-K312 PolarHBondContact OD1-NZ 3.21Å; N296-K312 VanDerWaalsContact OD1-NZ 3.14Å; Y300-K312 PolarHBondContact OH-NZ 3.07Å; Y300-K312 VanDerWaalsContact OH-NZ 3.15Å; N308-K312 WeakPolarHBondContact O-CB 3.43Å; N308-K312 PolarHBondContact O-N 3.06Å; E309-K312 IonicContact OE1-NZ 2.8Å; E309-K312 PolarHBondContact OE1-NZ 3.41Å; A310-K312 VanDerWaalsContact C-N 3.29Å; A310-K312 PolarHBondContact O-N 2.87Å; K312-E314 VanDerWaalsContact C-N 3.33Å; K312-E314 PolarHBondContact O-N 3.34Å; K312-V315 WeakPolarHBondContact O-CB 3.44Å; K312-V315 PolarHBondContact O-N 3.46Å; K312-V315 VanDerWaalsContact O-N 3.11Å; K312-L316 WeakPolarHBondContact O-CG 3.43Å; K312-L316 PolarHBondContact O-N 3.45Å
313	R	90.9	Very high	91.2	Very high	6 Å²	6	22.4 Å²	22.4	2%	0.023	12%	0.115	C	C	.	.	H	α-helix	trans	-66.7	-30.7	176.2	-73.7	172.6	175.1	72	0	113.3	W95 I249 L250 F253 E309 A310 K311 V315 L316 S317	W95-R313 HydrophobicContact CH2-CB 4.18Å; W95-R313 HydrophobicContact CH2-CG 4.43Å; I249-R313 PolarHBondContact O-NE 2.82Å; I249-R313 PolarHBondContact O-NH2 3.42Å; L250-R313 HydrophobicContact CD2-CB 3.93Å; L250-R313 HydrophobicContact CD2-CG 4.05Å; F253-R313 PolarHBondContact O-NH2 2.78Å; E309-R313 WeakPolarHBondContact O-CG 3.31Å; E309-R313 PolarHBondContact O-N 3.47Å; E309-R313 PolarHBondContact O-NH1 2.73Å; E309-R313 IonicContact OE2-NH1 2.74Å; E309-R313 PolarHBondContact OE2-NH1 2.8Å; E309-R313 VanDerWaalsContact OE2-NH1 3.09Å; A310-R313 WeakPolarHBondContact O-CB 3.42Å; A310-R313 PolarHBondContact O-N 3.36Å; A310-R313 VanDerWaalsContact O-N 3.14Å; K311-R313 VanDerWaalsContact C-N 3.3Å; K311-R313 PolarHBondContact O-N 3.49Å; R313-V315 VanDerWaalsContact C-N 3.29Å; R313-V315 PolarHBondContact O-N 2.84Å; R313-L316 PolarHBondContact O-N 2.91Å; R313-S317 WeakPolarHBondContact O-CB 3.04Å; R313-S317 PolarHBondContact O-N 2.97Å; R313-S317 PolarHBondContact O-OG 3.37Å
314	E	92.1	Very high	91.6	Very high	33 Å²	33	18.9 Å²	18.9	15%	0.154	9%	0.092	C	C	.	.	H	α-helix	trans	-59.4	-42.2	169.4	-62.4	178	-173.5	0	0	110.8	A310 K311 K312 S317 A318 T350 R353	A310-E314 PolarHBondContact O-N 3.04Å; K311-E314 WeakPolarHBondContact CD-OE1 3.41Å; K311-E314 WeakPolarHBondContact CD-OE2 3.48Å; K311-E314 IonicContact NZ-OE1 3.68Å; K311-E314 PolarHBondContact NZ-OE1 3.35Å; K311-E314 IonicContact NZ-OE2 3.94Å; K311-E314 PolarHBondContact NZ-OE2 3.22Å; K311-E314 WeakPolarHBondContact O-CB 3.44Å; K311-E314 PolarHBondContact O-N 2.86Å; K312-E314 VanDerWaalsContact C-N 3.33Å; K312-E314 PolarHBondContact O-N 3.34Å; E314-S317 PolarHBondContact O-N 3.46Å; E314-A318 PolarHBondContact O-N 3.11Å; E314-A318 VanDerWaalsContact O-N 3.15Å; E314-T350 HydrophobicContact CB-CG2 4.2Å; E314-T350 WeakPolarHBondContact CB-OG1 3.31Å; E314-T350 WeakPolarHBondContact CG-OG1 3.11Å; E314-T350 WeakPolarHBondContact O-CG2 3.36Å; E314-R353 IonicContact OE2-NH1 3.6Å; E314-R353 PolarHBondContact OE2-NH1 2.73Å
315	V	94.6	Very high	92	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.018	9%	0.087	C	C	.	.	H	α-helix	trans	-68.1	-41.8	176.2	178.9	0	0	0	0	111.4	V133 S299 Y305 K311 K312 R313 S317 A318 A319	V133-V315 HydrophobicContact CG1-CB 4.42Å; V133-V315 HydrophobicContact CG1-CG1 3.57Å; V133-V315 HydrophobicContact CG1-CG2 3.92Å; S299-V315 WeakPolarHBondContact OG-CG1 3.42Å; Y305-V315 HydrophobicContact CD1-CG2 3.45Å; Y305-V315 VanDerWaalsContact CD1-CG2 3.45Å; Y305-V315 HydrophobicContact CE1-CG2 3.49Å; Y305-V315 VanDerWaalsContact CE1-CG2 3.49Å; Y305-V315 HydrophobicContact CG-CG2 4.13Å; K311-V315 PolarHBondContact O-N 3.4Å; K312-V315 WeakPolarHBondContact O-CB 3.44Å; K312-V315 PolarHBondContact O-N 3.46Å; K312-V315 VanDerWaalsContact O-N 3.11Å; R313-V315 VanDerWaalsContact C-N 3.29Å; R313-V315 PolarHBondContact O-N 2.84Å; V315-S317 VanDerWaalsContact C-N 3.28Å; V315-S317 PolarHBondContact O-N 3.21Å; V315-A318 PolarHBondContact O-N 3Å; V315-A319 WeakPolarHBondContact O-CB 3.1Å; V315-A319 PolarHBondContact O-N 3.44Å
316	L	95.1	Very high	92.2	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-62.5	-36.4	176.9	-64.4	178	0	0	0	112.1	I249 L250 L259 C292 N296 K312 R313 A319 S320	I249-L316 HydrophobicContact CG2-CD1 4.12Å; L250-L316 HydrophobicContact CD2-CB 3.9Å; L259-L316 HydrophobicContact CD1-CD1 3.72Å; L259-L316 HydrophobicContact CD1-CD2 3.92Å; C292-L316 HydrophobicContact CB-CD2 4.4Å; C292-L316 WeakPolarHBondContact O-CD2 3.25Å; N296-L316 HydrophobicContact CB-CD2 4.05Å; K312-L316 WeakPolarHBondContact O-CG 3.43Å; K312-L316 PolarHBondContact O-N 3.45Å; R313-L316 PolarHBondContact O-N 2.91Å; L316-A319 WeakPolarHBondContact O-CB 3.21Å; L316-A319 PolarHBondContact O-N 3.31Å; L316-S320 PolarHBondContact O-N 3.34Å; L316-S320 PolarHBondContact O-OG 3.34Å
317	S	94.8	Very high	92.5	Very high	6 Å²	6	16.4 Å²	16.4	4%	0.042	8%	0.078	C	C	.	.	H	α-helix	trans	-68.6	-34.2	175.8	-48.8	0	0	0	0	112.1	R313 E314 V315 S320 A321 S338	R313-S317 WeakPolarHBondContact O-CB 3.04Å; R313-S317 PolarHBondContact O-N 2.97Å; R313-S317 PolarHBondContact O-OG 3.37Å; E314-S317 PolarHBondContact O-N 3.46Å; V315-S317 VanDerWaalsContact C-N 3.28Å; V315-S317 PolarHBondContact O-N 3.21Å; S317-S320 WeakPolarHBondContact CA-OG 3.48Å; S317-S320 PolarHBondContact O-OG 3.46Å; S317-A321 PolarHBondContact O-N 3.43Å; S317-S338 PolarHBondContact O-OG 3.26Å
318	A	96.1	Very high	92.8	Very high	2 Å²	2	9.9 Å²	9.9	2%	0.017	5%	0.05	C	C	.	.	H	α-helix	trans	-71.5	-36.6	171.4	0	0	0	0	0	112.1	V134 E314 V315 A321 A322 S354	V134-A318 HydrophobicContact CG2-CB 4.38Å; E314-A318 PolarHBondContact O-N 3.11Å; E314-A318 VanDerWaalsContact O-N 3.15Å; V315-A318 PolarHBondContact O-N 3Å; A318-A321 PolarHBondContact O-N 2.66Å; A318-A322 PolarHBondContact O-N 3.19Å; A318-S354 VanDerWaalsContact CA-OG 3.26Å; A318-S354 WeakPolarHBondContact CA-OG 3.04Å
319	A	96.9	Very high	92.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-67.4	-40.7	177.1	0	0	0	0	0	112.1	T137 A291 V315 L316 A321 A322 G323	T137-A319 HydrophobicContact CG2-CB 3.65Å; A291-A319 WeakPolarHBondContact CB-O 2.96Å; V315-A319 WeakPolarHBondContact O-CB 3.1Å; V315-A319 PolarHBondContact O-N 3.44Å; L316-A319 WeakPolarHBondContact O-CB 3.21Å; L316-A319 PolarHBondContact O-N 3.31Å; A319-A321 VanDerWaalsContact C-N 3.33Å; A319-A321 PolarHBondContact O-N 2.81Å; A319-A322 PolarHBondContact O-N 3.35Å; A319-G323 PolarHBondContact O-N 3.44Å
320	S	96.2	Very high	93.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62.3	-41	173.9	49.4	0	0	0	0	111.7	L316 S317 G323 V324 S338	L316-S320 PolarHBondContact O-N 3.34Å; L316-S320 PolarHBondContact O-OG 3.34Å; S317-S320 WeakPolarHBondContact CA-OG 3.48Å; S317-S320 PolarHBondContact O-OG 3.46Å; S320-G323 PolarHBondContact O-N 3.09Å; S320-V324 WeakPolarHBondContact O-CG2 3.39Å; S320-V324 PolarHBondContact O-N 3.21Å; S320-S338 PolarHBondContact OG-OG 3.2Å
321	A	96.7	Very high	93.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.8	-44.3	174	0	0	0	0	0	112.1	S317 A318 A319 G323 V324 S325 G334 V335	S317-A321 PolarHBondContact O-N 3.43Å; A318-A321 PolarHBondContact O-N 2.66Å; A319-A321 VanDerWaalsContact C-N 3.33Å; A319-A321 PolarHBondContact O-N 2.81Å; A321-G323 VanDerWaalsContact C-N 3.35Å; A321-G323 PolarHBondContact O-N 3.36Å; A321-V324 PolarHBondContact O-N 2.98Å; A321-S325 WeakPolarHBondContact O-CB 3.24Å; A321-S325 PolarHBondContact O-N 3.15Å; A321-G334 WeakPolarHBondContact CA-O 3.13Å; A321-V335 HydrophobicContact CB-CG2 4.16Å
322	A	97.2	Very high	93.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.1	-40.8	174.8	0	0	0	0	0	112.6	A318 A319 S325 V326 A357 A361	A318-A322 PolarHBondContact O-N 3.19Å; A319-A322 PolarHBondContact O-N 3.35Å; A322-S325 WeakPolarHBondContact O-CB 3.14Å; A322-S325 PolarHBondContact O-N 3.23Å; A322-V326 WeakPolarHBondContact O-CG2 3.25Å; A322-V326 PolarHBondContact O-N 3.46Å; A322-A357 HydrophobicContact CB-CB 4.23Å; A322-A361 HydrophobicContact CB-CB 4.07Å
323	G	96.1	Very high	94	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.7	-42.3	177.3	0	0	0	0	0	113.1	A319 S320 A321 V326 A327	A319-G323 PolarHBondContact O-N 3.44Å; S320-G323 PolarHBondContact O-N 3.09Å; A321-G323 VanDerWaalsContact C-N 3.35Å; A321-G323 PolarHBondContact O-N 3.36Å; G323-V326 VanDerWaalsContact O-CG2 3.25Å; G323-V326 WeakPolarHBondContact O-CG2 3.48Å; G323-A327 VanDerWaalsContact O-CB 3.23Å; G323-A327 WeakPolarHBondContact O-CB 3.49Å; G323-A327 PolarHBondContact O-N 3.47Å
324	V	94.7	Very high	94.1	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.012	5%	0.049	C	C	.	.	H	α-helix	trans	-71	-37.4	174.7	179.8	0	0	0	0	111.4	V288 S320 A321 V326 A327 F328 F337 I598	V288-V324 HydrophobicContact CG1-CG2 4.47Å; V288-V324 HydrophobicContact CG2-CG2 3.46Å; V288-V324 VanDerWaalsContact CG2-CG2 3.46Å; S320-V324 WeakPolarHBondContact O-CG2 3.39Å; S320-V324 PolarHBondContact O-N 3.21Å; A321-V324 PolarHBondContact O-N 2.98Å; V324-V326 VanDerWaalsContact C-N 3.33Å; V324-V326 PolarHBondContact O-N 3.32Å; V324-A327 WeakPolarHBondContact O-CB 3.27Å; V324-A327 PolarHBondContact O-N 3.17Å; V324-F328 HydrophobicContact CG1-CD2 3.7Å; V324-F328 HydrophobicContact CG1-CE2 4Å; V324-F328 PolarHBondContact O-N 2.96Å; V324-F337 HydrophobicContact CB-CD1 4.46Å; V324-F337 HydrophobicContact CB-CG 4.46Å; V324-F337 HydrophobicContact CG1-CB 4.07Å; V324-F337 HydrophobicContact CG1-CD2 4.31Å; V324-F337 HydrophobicContact CG1-CG 4.07Å; V324-F337 HydrophobicContact CG2-CB 4.4Å; V324-F337 HydrophobicContact CG2-CD1 3.47Å; V324-F337 VanDerWaalsContact CG2-CD1 3.47Å; V324-F337 HydrophobicContact CG2-CD2 4.38Å; V324-F337 HydrophobicContact CG2-CE1 3.77Å; V324-F337 HydrophobicContact CG2-CG 3.83Å; V324-F337 HydrophobicContact CG2-CZ 4.43Å; V324-I598 HydrophobicContact CG1-CD1 4.16Å
325	S	94.9	Very high	94.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.1	-41.1	176.4	175.7	0	0	0	0	112.6	A321 A322 G329 A330 P331 A358	A321-S325 WeakPolarHBondContact O-CB 3.24Å; A321-S325 PolarHBondContact O-N 3.15Å; A322-S325 WeakPolarHBondContact O-CB 3.14Å; A322-S325 PolarHBondContact O-N 3.23Å; S325-G329 CarbonylContact O-C 3.59Å; S325-G329 WeakPolarHBondContact O-CA 3.48Å; S325-G329 PolarHBondContact O-N 3.03Å; S325-A330 PolarHBondContact O-N 2.94Å; S325-P331 VanDerWaalsContact OG-CA 3.31Å; S325-P331 WeakPolarHBondContact OG-CA 3.33Å; S325-A358 PolarHBondContact OG-O 3.04Å
326	V	93.5	Very high	94.4	Very high	4 Å²	4	10 Å²	10	2%	0.024	6%	0.057	C	C	.	.	H	α-helix	trans	-79.7	-26.4	176.9	-61.6	0	0	0	0	112.7	A145 A322 G323 V324 A361 L365	A145-V326 HydrophobicContact CB-CB 3.7Å; A145-V326 HydrophobicContact CB-CG1 4.49Å; A145-V326 HydrophobicContact CB-CG2 3.56Å; A322-V326 WeakPolarHBondContact O-CG2 3.25Å; A322-V326 PolarHBondContact O-N 3.46Å; G323-V326 VanDerWaalsContact O-CG2 3.25Å; G323-V326 WeakPolarHBondContact O-CG2 3.48Å; V324-V326 VanDerWaalsContact C-N 3.33Å; V324-V326 PolarHBondContact O-N 3.32Å; V326-A361 HydrophobicContact CG1-CB 3.42Å; V326-A361 VanDerWaalsContact CG1-CB 3.42Å; V326-L365 HydrophobicContact CB-CD2 4.14Å; V326-L365 VanDerWaalsContact O-CD2 3.28Å; V326-L365 WeakPolarHBondContact O-CD2 3.47Å
327	A	91.6	Very high	94.4	Very high	10 Å²	10	9.9 Å²	9.9	8%	0.083	6%	0.056	C	C	.	.	H	α-helix	trans	-64.8	-46.8	175.9	0	0	0	0	0	112.3	E284 L287 G323 V324	E284-A327 HydrophobicContact CB-CB 3.9Å; E284-A327 VanDerWaalsContact CD-O 3.29Å; E284-A327 HydrophobicContact CG-CB 4.35Å; E284-A327 VanDerWaalsContact OE2-C 3.26Å; E284-A327 WeakPolarHBondContact OE2-CA 3.5Å; E284-A327 WeakPolarHBondContact OE2-CB 3.36Å; L287-A327 HydrophobicContact CB-CB 4.44Å; L287-A327 HydrophobicContact CD1-CB 4.08Å; G323-A327 VanDerWaalsContact O-CB 3.23Å; G323-A327 WeakPolarHBondContact O-CB 3.49Å; G323-A327 PolarHBondContact O-N 3.47Å; V324-A327 WeakPolarHBondContact O-CB 3.27Å; V324-A327 PolarHBondContact O-N 3.17Å
328	F	88.9	Confident	94.4	Very high	13 Å²	13	9.6 Å²	9.6	6%	0.057	5%	0.054	C	C	.	.	H	α-helix	trans	-106.8	-6.9	-177.1	-60.4	-73.9	0	0	0	113.8	E284 V324 A330 F529 M533 I598 L602	E284-F328 HydrophobicContact CB-CE1 4.2Å; E284-F328 HydrophobicContact CB-CE2 4.22Å; E284-F328 HydrophobicContact CB-CZ 3.76Å; E284-F328 HydrophobicContact CG-CE1 3.93Å; E284-F328 HydrophobicContact CG-CZ 4.03Å; V324-F328 HydrophobicContact CG1-CD2 3.7Å; V324-F328 HydrophobicContact CG1-CE2 4Å; V324-F328 PolarHBondContact O-N 2.96Å; F328-A330 HydrophobicContact CB-CB 4.03Å; F328-A330 PolarHBondContact O-N 3.16Å; F328-F529 HydrophobicContact CE1-CB 4.33Å; F328-F529 HydrophobicContact CE2-CD1 4.4Å; F328-F529 HydrophobicContact CZ-CB 3.83Å; F328-F529 AromaticContact CZ-CD1 3.75Å; F328-F529 HydrophobicContact CZ-CD1 3.75Å; F328-F529 HydrophobicContact CZ-CD2 4.38Å; F328-F529 HydrophobicContact CZ-CE1 4.47Å; F328-F529 AromaticContact CZ-CG 3.74Å; F328-F529 HydrophobicContact CZ-CG 3.74Å; F328-M533 HydrophobicContact CE1-CE 3.94Å; F328-I598 HydrophobicContact CB-CG2 3.89Å; F328-I598 HydrophobicContact CD1-CG2 4.22Å; F328-I598 HydrophobicContact CD2-CD1 4.45Å; F328-I598 HydrophobicContact CD2-CG2 4.25Å; F328-I598 HydrophobicContact CG-CG2 3.86Å; F328-L602 HydrophobicContact CB-CD2 4.36Å; F328-L602 WeakPolarHBondContact O-CD2 3.44Å
329	G	88.8	Confident	94.2	Very high	6 Å²	6	13 Å²	13	6%	0.062	7%	0.072	C	C	.	.	S	Bend	trans	69.3	19.2	-170	0	0	0	0	0	113.5	S325 P331	S325-G329 CarbonylContact O-C 3.59Å; S325-G329 WeakPolarHBondContact O-CA 3.48Å; S325-G329 PolarHBondContact O-N 3.03Å; G329-P331 WeakPolarHBondContact O-CD 3.48Å
330	A	91.6	Very high	93.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.			trans	-118.7	88.4	-170.1	0	0	0	0	0	111.1	S325 F328 G334 I598 E601	S325-A330 PolarHBondContact O-N 2.94Å; F328-A330 HydrophobicContact CB-CB 4.03Å; F328-A330 PolarHBondContact O-N 3.16Å; A330-G334 PolarHBondContact O-N 3.04Å; A330-I598 HydrophobicContact CB-CB 4.49Å; A330-I598 HydrophobicContact CB-CG1 4.36Å; A330-I598 HydrophobicContact CB-CG2 4.26Å; A330-E601 WeakPolarHBondContact CA-OE2 3.38Å; A330-E601 HydrophobicContact CB-CB 3.83Å; A330-E601 WeakPolarHBondContact CB-OE2 3.22Å
331	P	94.5	Very high	93.5	Very high	22 Å²	22	15.1 Å²	15.1	14%	0.143	8%	0.082	C	C	.	.	H	α-helix	trans	-68.6	-40.1	-174.4	26.7	-33.5	0	0	0	113.9	S325 G329 G334 V335 A358 E601	S325-P331 VanDerWaalsContact OG-CA 3.31Å; S325-P331 WeakPolarHBondContact OG-CA 3.33Å; G329-P331 WeakPolarHBondContact O-CD 3.48Å; P331-G334 PolarHBondContact O-N 2.74Å; P331-V335 WeakPolarHBondContact O-CG2 3.49Å; P331-V335 PolarHBondContact O-N 2.97Å; P331-A358 HydrophobicContact CB-CB 4.08Å; P331-E601 WeakPolarHBondContact CD-OE1 3.45Å
332	I	94.4	Very high	93.1	Very high	79 Å²	79	15.3 Å²	15.3	41%	0.405	8%	0.083	S	C	.	.	H	α-helix	trans	-70.8	-45.1	178.9	-58.2	169.3	0	0	0	109.1	G334 V335 L336 F355 V597 E601	I332-G334 VanDerWaalsContact C-N 3.27Å; I332-G334 PolarHBondContact O-N 3.37Å; I332-V335 PolarHBondContact O-N 2.9Å; I332-L336 HydrophobicContact CG2-CD1 4.28Å; I332-L336 PolarHBondContact O-N 3.42Å; I332-L336 VanDerWaalsContact O-N 3.09Å; I332-F355 HydrophobicContact CG1-CE2 4.07Å; I332-V597 HydrophobicContact CB-CG1 4.15Å; I332-V597 HydrophobicContact CG2-CG1 3.88Å; I332-E601 VanDerWaalsContact CB-OE1 3.25Å; I332-E601 WeakPolarHBondContact CB-OE1 3.48Å; I332-E601 WeakPolarHBondContact CD1-OE1 3.24Å; I332-E601 WeakPolarHBondContact CG1-OE1 3.19Å; I332-E601 PolarHBondContact N-OE1 3.2Å; I332-E601 VanDerWaalsContact N-OE1 3.16Å; I332-E601 PolarHBondContact N-OE2 2.62Å
333	G	93.6	Very high	92.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.6	-40.6	175.3	0	0	0	0	0	112.5	L336 F337 E601	G333-L336 PolarHBondContact O-N 3.28Å; G333-F337 WeakPolarHBondContact O-CB 3.27Å; G333-F337 PolarHBondContact O-N 3.1Å; G333-E601 PolarHBondContact N-OE2 2.93Å
334	G	94.7	Very high	91.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-38.1	177	0	0	0	0	0	114.6	A321 A330 P331 I332 F337 S338	A321-G334 WeakPolarHBondContact CA-O 3.13Å; A330-G334 PolarHBondContact O-N 3.04Å; P331-G334 PolarHBondContact O-N 2.74Å; I332-G334 VanDerWaalsContact C-N 3.27Å; I332-G334 PolarHBondContact O-N 3.37Å; G334-F337 WeakPolarHBondContact O-CB 3.46Å; G334-F337 PolarHBondContact O-N 2.95Å; G334-S338 PolarHBondContact O-N 3.22Å; G334-S338 VanDerWaalsContact O-N 3.07Å
335	V	96.4	Very high	90.8	Very high	10 Å²	10	25 Å²	25	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-67.3	-44.9	175	177.8	0	0	0	0	110.8	A321 P331 I332 F337 S338 L339 F346 L351 F355 A358	A321-V335 HydrophobicContact CB-CG2 4.16Å; P331-V335 WeakPolarHBondContact O-CG2 3.49Å; P331-V335 PolarHBondContact O-N 2.97Å; I332-V335 PolarHBondContact O-N 2.9Å; V335-F337 VanDerWaalsContact C-N 3.31Å; V335-F337 PolarHBondContact O-N 2.78Å; V335-S338 PolarHBondContact O-N 3.43Å; V335-L339 PolarHBondContact O-N 3.1Å; V335-F346 HydrophobicContact CG1-CZ 4.43Å; V335-L351 HydrophobicContact CG1-CG 4.41Å; V335-F355 HydrophobicContact CG2-CB 4.12Å; V335-F355 HydrophobicContact CG2-CD2 4.4Å; V335-A358 HydrophobicContact CG2-CB 4.27Å
336	L	95.4	Very high	90.3	Very high	53 Å²	53	26.8 Å²	26.8	28%	0.277	13%	0.131	S	C	.	.	H	α-helix	trans	-64.1	-38.1	177.1	-68.3	175.7	0	0	0	111.6	I332 G333 S338 L339 E340 V593 V597	I332-L336 HydrophobicContact CG2-CD1 4.28Å; I332-L336 PolarHBondContact O-N 3.42Å; I332-L336 VanDerWaalsContact O-N 3.09Å; G333-L336 PolarHBondContact O-N 3.28Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-S338 PolarHBondContact O-N 3.01Å; L336-L339 PolarHBondContact O-N 2.73Å; L336-E340 VanDerWaalsContact O-CB 3.3Å; L336-E340 WeakPolarHBondContact O-CB 3.31Å; L336-E340 PolarHBondContact O-N 3.43Å; L336-V593 HydrophobicContact CD1-CG1 4.47Å; L336-V597 HydrophobicContact CD1-CB 3.95Å; L336-V597 HydrophobicContact CD1-CG1 4.02Å; L336-V597 HydrophobicContact CD1-CG2 3.69Å
337	F	94.6	Very high	90	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.9	-47.1	172.8	178.7	-77.4	0	0	0	111.4	I243 V324 G333 G334 V335 L339 E340 E341 V342 F529 M591 I598	I243-F337 HydrophobicContact CD1-CZ 4.2Å; V324-F337 HydrophobicContact CB-CD1 4.46Å; V324-F337 HydrophobicContact CB-CG 4.46Å; V324-F337 HydrophobicContact CG1-CB 4.07Å; V324-F337 HydrophobicContact CG1-CD2 4.31Å; V324-F337 HydrophobicContact CG1-CG 4.07Å; V324-F337 HydrophobicContact CG2-CB 4.4Å; V324-F337 HydrophobicContact CG2-CD1 3.47Å; V324-F337 VanDerWaalsContact CG2-CD1 3.47Å; V324-F337 HydrophobicContact CG2-CD2 4.38Å; V324-F337 HydrophobicContact CG2-CE1 3.77Å; V324-F337 HydrophobicContact CG2-CG 3.83Å; V324-F337 HydrophobicContact CG2-CZ 4.43Å; G333-F337 WeakPolarHBondContact O-CB 3.27Å; G333-F337 PolarHBondContact O-N 3.1Å; G334-F337 WeakPolarHBondContact O-CB 3.46Å; G334-F337 PolarHBondContact O-N 2.95Å; V335-F337 VanDerWaalsContact C-N 3.31Å; V335-F337 PolarHBondContact O-N 2.78Å; F337-L339 PolarHBondContact O-N 2.69Å; F337-E340 PolarHBondContact O-N 2.94Å; F337-E341 HydrophobicContact CE1-CB 4.44Å; F337-E341 HydrophobicContact CZ-CB 4.31Å; F337-E341 PolarHBondContact O-N 3.39Å; F337-V342 HydrophobicContact CD1-CG2 3.64Å; F337-V342 HydrophobicContact CE1-CG2 3.31Å; F337-V342 HydrophobicContact CZ-CG2 4.37Å; F337-F529 AromaticContact CE2-CE1 3.87Å; F337-F529 HydrophobicContact CE2-CE1 3.87Å; F337-F529 AromaticContact CE2-CZ 3.48Å; F337-F529 HydrophobicContact CE2-CZ 3.48Å; F337-F529 VanDerWaalsContact CE2-CZ 3.48Å; F337-F529 AromaticContact CZ-CZ 3.8Å; F337-F529 HydrophobicContact CZ-CZ 3.8Å; F337-M591 HydrophobicContact CB-CE 4.33Å; F337-M591 HydrophobicContact CD2-CE 3Å; F337-M591 HydrophobicContact CD2-SD 3.8Å; F337-M591 HydrophobicContact CE2-CE 3.24Å; F337-M591 HydrophobicContact CE2-SD 3.4Å; F337-M591 WeakPolarHBondContact CE2-SD 3.26Å; F337-M591 HydrophobicContact CG-CE 3.85Å; F337-M591 HydrophobicContact CZ-CE 4.31Å; F337-M591 HydrophobicContact CZ-SD 4.41Å; F337-I598 HydrophobicContact CD2-CD1 4.45Å
338	S	94.6	Very high	89.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-62.9	-34.7	179.6	-166.2	0	0	0	0	112	S317 S320 G334 V335 L336 S343	S317-S338 PolarHBondContact O-OG 3.26Å; S320-S338 PolarHBondContact OG-OG 3.2Å; G334-S338 PolarHBondContact O-N 3.22Å; G334-S338 VanDerWaalsContact O-N 3.07Å; V335-S338 PolarHBondContact O-N 3.43Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-S338 PolarHBondContact O-N 3.01Å; S338-S343 WeakPolarHBondContact O-CB 3.49Å; S338-S343 PolarHBondContact O-N 3.28Å; S338-S343 PolarHBondContact O-OG 3.4Å
339	L	91.9	Very high	89.8	Confident	73 Å²	73	38 Å²	38	38%	0.382	18%	0.184	S	C	.	.	I	π-helix	trans	-73.5	-47	176.5	-170.4	162.9	0	0	0	112.2	V335 L336 F337 F346 L351	V335-L339 PolarHBondContact O-N 3.1Å; L336-L339 PolarHBondContact O-N 2.73Å; F337-L339 PolarHBondContact O-N 2.69Å; L339-F346 HydrophobicContact CB-CD1 4.32Å; L339-F346 HydrophobicContact CB-CE1 4.46Å; L339-F346 HydrophobicContact CB-CG 4.47Å; L339-F346 HydrophobicContact CD1-CD1 3.84Å; L339-F346 HydrophobicContact CD1-CE1 4.2Å; L339-F346 HydrophobicContact CG-CB 4.33Å; L339-F346 HydrophobicContact CG-CD1 4.04Å; L339-F346 HydrophobicContact CG-CG 4.27Å; L339-L351 HydrophobicContact CD1-CD1 4.31Å
340	E	90.3	Very high	89.9	Confident	39 Å²	39	37.8 Å²	37.8	18%	0.182	18%	0.182	C	C	.	.	I	π-helix	trans	-78.3	-37.8	-172.6	-171.9	178.7	174.5	0	0	113.3	L336 F337 T592 V593 S594 K647	L336-E340 VanDerWaalsContact O-CB 3.3Å; L336-E340 WeakPolarHBondContact O-CB 3.31Å; L336-E340 PolarHBondContact O-N 3.43Å; F337-E340 PolarHBondContact O-N 2.94Å; E340-T592 PolarHBondContact OE1-N 3.41Å; E340-T592 PolarHBondContact OE1-OG1 2.84Å; E340-V593 PolarHBondContact OE2-N 3Å; E340-S594 WeakPolarHBondContact OE2-CB 3.31Å; E340-S594 PolarHBondContact OE2-N 3.28Å; E340-S594 PolarHBondContact OE2-OG 3.08Å; E340-K647 PolarHBondContact O-NZ 3.48Å
341	E	88.9	Confident	90	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.033	20%	0.195	C	C	.	.	I	π-helix	trans	-113.9	-36.9	-170.7	-78.4	-51.9	125.4	0	0	116.1	K247 F337 M591 K647	K247-E341 WeakPolarHBondContact CD-O 3.38Å; K247-E341 WeakPolarHBondContact CE-O 3.44Å; K247-E341 IonicContact NZ-OE2 2.64Å; F337-E341 HydrophobicContact CE1-CB 4.44Å; F337-E341 HydrophobicContact CZ-CB 4.31Å; F337-E341 PolarHBondContact O-N 3.39Å; E341-M591 HydrophobicContact CB-CE 4.09Å; E341-M591 HydrophobicContact CG-CE 3.26Å; E341-M591 HydrophobicContact CG-CG 3.4Å; E341-M591 HydrophobicContact CG-SD 3.59Å; E341-M591 VanDerWaalsContact CG-SD 3.59Å; E341-K647 IonicContact OE1-NZ 3.27Å; E341-K647 PolarHBondContact OE1-NZ 3.1Å; E341-K647 IonicContact OE2-NZ 3.99Å
342	V	88.3	Confident	90	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.018	22%	0.215	C	C	.	.	I	π-helix	trans	-94.5	-42.9	-169.4	-161.7	0	0	0	0	111.1	I246 L250 F337	I246-V342 HydrophobicContact CB-CG1 4.42Å; I246-V342 HydrophobicContact CG2-CG1 3.52Å; L250-V342 HydrophobicContact CD1-CB 4.24Å; L250-V342 HydrophobicContact CD1-CG1 3.55Å; F337-V342 HydrophobicContact CD1-CG2 3.64Å; F337-V342 HydrophobicContact CE1-CG2 3.31Å; F337-V342 HydrophobicContact CZ-CG2 4.37Å
343	S	85.2	Confident	90	Very high	16 Å²	16	44.4 Å²	44.4	11%	0.112	20%	0.202	C	C	.	.			trans	-95.4	131.8	-169.4	-56	0	0	0	0	112.1	S338	S338-S343 WeakPolarHBondContact O-CB 3.49Å; S338-S343 PolarHBondContact O-N 3.28Å; S338-S343 PolarHBondContact O-OG 3.4Å
344	Y	76.1	Confident	90.1	Very high	70 Å²	70	44.4 Å²	44.4	28%	0.275	20%	0.202	S	C	.	.	S	Bend	trans	-77.6	-38.8	170.8	173.1	-85.9	0	0	0	112	A646 R778 K779	Y344-A646 HydrophobicContact CD2-CB 3.61Å; Y344-A646 HydrophobicContact CE2-CB 3.38Å; Y344-R778 WeakPolarHBondContact CE1-O 3.32Å; Y344-R778 HydrophobicContact CE2-CB 4.15Å; Y344-R778 HydrophobicContact CE2-CG 4.15Å; Y344-R778 VanDerWaalsContact OH-CA 3.29Å; Y344-R778 WeakPolarHBondContact OH-CA 3.12Å; Y344-R778 WeakPolarHBondContact OH-CB 3.4Å; Y344-R778 PolarHBondContact OH-O 3.03Å; Y344-K779 PolarHBondContact OH-N 3.44Å
345	Y	79.3	Confident	90.2	Very high	121 Å²	121	48 Å²	48	48%	0.475	22%	0.218	S	C	.	.			trans	-135.3	126.9	-178.8	173.4	-100.1	0	0	0	109.3	P347	Y345-P347 HydrophobicContact CD1-CG 4.48Å; Y345-P347 HydrophobicContact CE1-CB 3.99Å; Y345-P347 HydrophobicContact CE1-CG 3.91Å
346	F	83.8	Confident	90.2	Very high	37 Å²	37	50.8 Å²	50.8	16%	0.162	23%	0.229	C	C	.	.			trans	-133.6	91.8	-171.8	-160.1	-101.4	0	0	0	111.5	V335 L339 T350 L351 S354	V335-F346 HydrophobicContact CG1-CZ 4.43Å; L339-F346 HydrophobicContact CB-CD1 4.32Å; L339-F346 HydrophobicContact CB-CE1 4.46Å; L339-F346 HydrophobicContact CB-CG 4.47Å; L339-F346 HydrophobicContact CD1-CD1 3.84Å; L339-F346 HydrophobicContact CD1-CE1 4.2Å; L339-F346 HydrophobicContact CG-CB 4.33Å; L339-F346 HydrophobicContact CG-CD1 4.04Å; L339-F346 HydrophobicContact CG-CG 4.27Å; F346-T350 HydrophobicContact CD2-CG2 4.23Å; F346-T350 HydrophobicContact CE2-CG2 3.83Å; F346-T350 HydrophobicContact CZ-CG2 4.23Å; F346-L351 HydrophobicContact CD1-CB 4.01Å; F346-L351 HydrophobicContact CD1-CD1 4.4Å; F346-L351 HydrophobicContact CE1-CB 3.4Å; F346-L351 VanDerWaalsContact CE1-CB 3.4Å; F346-L351 HydrophobicContact CE1-CD1 4.07Å; F346-L351 HydrophobicContact CE1-CG 3.79Å; F346-L351 HydrophobicContact CZ-CB 4.31Å; F346-S354 WeakPolarHBondContact CZ-OG 3.17Å
347	P	86.6	Confident	90.3	Very high	29 Å²	29	48.2 Å²	48.2	19%	0.188	22%	0.216	C	C	.	.			trans	-72.6	150.8	-178.1	29.4	-32.6	0	0	0	111.1	Y345 K349 T350 L351	Y345-P347 HydrophobicContact CD1-CG 4.48Å; Y345-P347 HydrophobicContact CE1-CB 3.99Å; Y345-P347 HydrophobicContact CE1-CG 3.91Å; P347-K349 PolarHBondContact O-N 2.98Å; P347-K349 VanDerWaalsContact O-N 3.14Å; P347-T350 VanDerWaalsContact CG-OG1 3.32Å; P347-T350 WeakPolarHBondContact CG-OG1 3.18Å; P347-T350 WeakPolarHBondContact O-CA 3.27Å; P347-T350 WeakPolarHBondContact O-CB 3.42Å; P347-T350 PolarHBondContact O-N 3.17Å; P347-L351 PolarHBondContact O-N 2.98Å
348	L	88.5	Confident	90.4	Very high	85 Å²	85	48.2 Å²	48.2	45%	0.445	22%	0.216	S	C	.	.	H	α-helix	trans	-56.1	-35.5	-176.9	-172.3	64.7	0	0	0	113.4	T350 L351 W352	L348-T350 VanDerWaalsContact C-N 3.27Å; L348-T350 PolarHBondContact O-N 3.37Å; L348-L351 HydrophobicContact CD1-CB 4.44Å; L348-L351 HydrophobicContact CD1-CD1 4.42Å; L348-L351 VanDerWaalsContact O-CB 3.3Å; L348-L351 WeakPolarHBondContact O-CB 3.25Å; L348-L351 PolarHBondContact O-N 3.37Å; L348-L351 VanDerWaalsContact O-N 3.14Å; L348-W352 VanDerWaalsContact O-CD1 3.31Å; L348-W352 PolarHBondContact O-N 3.28Å; L348-W352 VanDerWaalsContact O-N 3.16Å
349	K	88.6	Confident	90.4	Very high	149 Å²	149	52.4 Å²	52.4	65%	0.648	24%	0.238	S	C	*	.	H	α-helix	trans	-62.3	-34.1	174.1	-68.5	-180	-179	171.7	0	112.5	P347 R353	P347-K349 PolarHBondContact O-N 2.98Å; P347-K349 VanDerWaalsContact O-N 3.14Å; K349-R353 WeakPolarHBondContact O-CG 3.32Å; K349-R353 PolarHBondContact O-N 3.29Å
350	T	91.3	Very high	90.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-75.7	-33	174.8	-60.9	0	0	0	0	111	E314 F346 P347 L348 R353 S354	E314-T350 HydrophobicContact CB-CG2 4.2Å; E314-T350 WeakPolarHBondContact CB-OG1 3.31Å; E314-T350 WeakPolarHBondContact CG-OG1 3.11Å; E314-T350 WeakPolarHBondContact O-CG2 3.36Å; F346-T350 HydrophobicContact CD2-CG2 4.23Å; F346-T350 HydrophobicContact CE2-CG2 3.83Å; F346-T350 HydrophobicContact CZ-CG2 4.23Å; P347-T350 VanDerWaalsContact CG-OG1 3.32Å; P347-T350 WeakPolarHBondContact CG-OG1 3.18Å; P347-T350 WeakPolarHBondContact O-CA 3.27Å; P347-T350 WeakPolarHBondContact O-CB 3.42Å; P347-T350 PolarHBondContact O-N 3.17Å; L348-T350 VanDerWaalsContact C-N 3.27Å; L348-T350 PolarHBondContact O-N 3.37Å; T350-R353 PolarHBondContact O-N 3.22Å; T350-S354 VanDerWaalsContact O-CB 3.31Å; T350-S354 WeakPolarHBondContact O-CB 3.48Å; T350-S354 PolarHBondContact O-N 2.86Å; T350-S354 PolarHBondContact O-OG 3.46Å
351	L	93.8	Very high	90.9	Very high	53 Å²	53	48 Å²	48	28%	0.277	22%	0.217	S	C	.	.	H	α-helix	trans	-56.5	-54.2	173.4	-171.1	151	0	0	0	111.7	V335 L339 F346 P347 L348 R353 S354 F355	V335-L351 HydrophobicContact CG1-CG 4.41Å; L339-L351 HydrophobicContact CD1-CD1 4.31Å; F346-L351 HydrophobicContact CD1-CB 4.01Å; F346-L351 HydrophobicContact CD1-CD1 4.4Å; F346-L351 HydrophobicContact CE1-CB 3.4Å; F346-L351 VanDerWaalsContact CE1-CB 3.4Å; F346-L351 HydrophobicContact CE1-CD1 4.07Å; F346-L351 HydrophobicContact CE1-CG 3.79Å; F346-L351 HydrophobicContact CZ-CB 4.31Å; P347-L351 PolarHBondContact O-N 2.98Å; L348-L351 HydrophobicContact CD1-CB 4.44Å; L348-L351 HydrophobicContact CD1-CD1 4.42Å; L348-L351 VanDerWaalsContact O-CB 3.3Å; L348-L351 WeakPolarHBondContact O-CB 3.25Å; L348-L351 PolarHBondContact O-N 3.37Å; L348-L351 VanDerWaalsContact O-N 3.14Å; L351-R353 VanDerWaalsContact C-N 3.33Å; L351-R353 PolarHBondContact O-N 2.98Å; L351-S354 PolarHBondContact O-N 3.08Å; L351-S354 VanDerWaalsContact O-N 3.16Å; L351-F355 PolarHBondContact O-N 3.2Å
352	W	93.8	Very high	91.1	Very high	151 Å²	151	47.9 Å²	47.9	57%	0.572	22%	0.217	S	C	*	.	H	α-helix	trans	-60.8	-40.1	178.8	-74.9	110.5	0	0	0	113.2	L348 F356	L348-W352 VanDerWaalsContact O-CD1 3.31Å; L348-W352 PolarHBondContact O-N 3.28Å; L348-W352 VanDerWaalsContact O-N 3.16Å; W352-F356 WeakPolarHBondContact O-CB 3.39Å; W352-F356 PolarHBondContact O-N 3.43Å
353	R	94.4	Very high	91.3	Very high	36 Å²	36	54.4 Å²	54.4	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-41.4	175.3	-75.4	177.9	-175.2	158.9	3.1	112.2	V134 E314 K349 T350 L351 F356 A357	V134-R353 HydrophobicContact CG1-CB 4.35Å; V134-R353 WeakPolarHBondContact CG1-O 3.36Å; V134-R353 HydrophobicContact CG2-CB 4.1Å; V134-R353 HydrophobicContact CG2-CG 4.45Å; E314-R353 IonicContact OE2-NH1 3.6Å; E314-R353 PolarHBondContact OE2-NH1 2.73Å; K349-R353 WeakPolarHBondContact O-CG 3.32Å; K349-R353 PolarHBondContact O-N 3.29Å; T350-R353 PolarHBondContact O-N 3.22Å; L351-R353 VanDerWaalsContact C-N 3.33Å; L351-R353 PolarHBondContact O-N 2.98Å; R353-F356 PolarHBondContact O-N 2.93Å; R353-A357 PolarHBondContact O-N 3.4Å
354	S	96	Very high	91.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-44.4	178.5	-56	0	0	0	0	110.9	A318 F346 T350 L351 F356 A357 A358	A318-S354 VanDerWaalsContact CA-OG 3.26Å; A318-S354 WeakPolarHBondContact CA-OG 3.04Å; F346-S354 WeakPolarHBondContact CZ-OG 3.17Å; T350-S354 VanDerWaalsContact O-CB 3.31Å; T350-S354 WeakPolarHBondContact O-CB 3.48Å; T350-S354 PolarHBondContact O-N 2.86Å; T350-S354 PolarHBondContact O-OG 3.46Å; L351-S354 PolarHBondContact O-N 3.08Å; L351-S354 VanDerWaalsContact O-N 3.16Å; S354-F356 VanDerWaalsContact C-N 3.34Å; S354-F356 PolarHBondContact O-N 2.76Å; S354-A357 PolarHBondContact O-N 3.38Å; S354-A358 WeakPolarHBondContact O-CB 3.43Å; S354-A358 PolarHBondContact O-N 3.22Å
355	F	96.2	Very high	92.5	Very high	75 Å²	75	51.5 Å²	51.5	33%	0.329	23%	0.234	S	C	.	.	H	α-helix	trans	-58.3	-45.7	174.4	-177.8	-101.5	0	0	0	112.1	I332 V335 L351 A358 L359	I332-F355 HydrophobicContact CG1-CE2 4.07Å; V335-F355 HydrophobicContact CG2-CB 4.12Å; V335-F355 HydrophobicContact CG2-CD2 4.4Å; L351-F355 PolarHBondContact O-N 3.2Å; F355-A358 PolarHBondContact O-N 3.27Å; F355-L359 WeakPolarHBondContact O-CB 3.2Å; F355-L359 PolarHBondContact O-N 3.25Å
356	F	96.7	Very high	92.9	Very high	68 Å²	68	52.2 Å²	52.2	30%	0.298	24%	0.236	S	C	.	.	H	α-helix	trans	-65.7	-42.2	177.5	-176.8	-105	0	0	0	113.3	W131 V134 T135 W352 R353 S354 L359 V360	W131-F356 HydrophobicContact CE3-CB 4.31Å; W131-F356 AromaticContact CE3-CD1 3.69Å; W131-F356 HydrophobicContact CE3-CD1 3.69Å; W131-F356 HydrophobicContact CE3-CE1 4.13Å; W131-F356 AromaticContact CE3-CG 3.98Å; W131-F356 HydrophobicContact CE3-CG 3.98Å; W131-F356 HydrophobicContact CZ3-CB 3.69Å; W131-F356 AromaticContact CZ3-CD1 3.93Å; W131-F356 HydrophobicContact CZ3-CD1 3.93Å; W131-F356 HydrophobicContact CZ3-CD2 4.3Å; W131-F356 AromaticContact CZ3-CG 3.71Å; W131-F356 HydrophobicContact CZ3-CG 3.71Å; V134-F356 HydrophobicContact CG1-CD1 4.15Å; T135-F356 WeakPolarHBondContact OG1-CE1 3.38Å; W352-F356 WeakPolarHBondContact O-CB 3.39Å; W352-F356 PolarHBondContact O-N 3.43Å; R353-F356 PolarHBondContact O-N 2.93Å; S354-F356 VanDerWaalsContact C-N 3.34Å; S354-F356 PolarHBondContact O-N 2.76Å; F356-L359 PolarHBondContact O-N 3.06Å; F356-V360 HydrophobicContact CD1-CG2 4.41Å; F356-V360 HydrophobicContact CE1-CG2 4.05Å; F356-V360 HydrophobicContact CE2-CG2 4.27Å; F356-V360 HydrophobicContact CZ-CG2 3.96Å; F356-V360 WeakPolarHBondContact O-CG2 3.33Å; F356-V360 PolarHBondContact O-N 3.37Å
357	A	97.1	Very high	93.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.1	-44.6	174.1	0	0	0	0	0	112.3	V134 A322 R353 S354 V360 A361	V134-A357 HydrophobicContact CB-CB 4.45Å; V134-A357 HydrophobicContact CG1-CB 3.28Å; A322-A357 HydrophobicContact CB-CB 4.23Å; R353-A357 PolarHBondContact O-N 3.4Å; S354-A357 PolarHBondContact O-N 3.38Å; A357-V360 PolarHBondContact O-N 3.2Å; A357-A361 WeakPolarHBondContact O-CB 3.29Å; A357-A361 PolarHBondContact O-N 2.99Å
358	A	96.7	Very high	93.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-46	176.6	0	0	0	0	0	111.4	S325 P331 V335 S354 F355 V360 A361 A362	S325-A358 PolarHBondContact OG-O 3.04Å; P331-A358 HydrophobicContact CB-CB 4.08Å; V335-A358 HydrophobicContact CG2-CB 4.27Å; S354-A358 WeakPolarHBondContact O-CB 3.43Å; S354-A358 PolarHBondContact O-N 3.22Å; F355-A358 PolarHBondContact O-N 3.27Å; A358-V360 PolarHBondContact O-N 2.97Å; A358-A361 PolarHBondContact O-N 3.18Å; A358-A362 WeakPolarHBondContact O-CB 3.01Å; A358-A362 PolarHBondContact O-N 3.28Å
359	L	95.3	Very high	93	Very high	87 Å²	87	54.7 Å²	54.7	46%	0.455	26%	0.255	S	S	.	.	H	α-helix	trans	-58.7	-46.8	176.2	-176.6	70.1	0	0	0	112.3	F355 F356 A361 A362 F363	F355-L359 WeakPolarHBondContact O-CB 3.2Å; F355-L359 PolarHBondContact O-N 3.25Å; F356-L359 PolarHBondContact O-N 3.06Å; L359-A361 VanDerWaalsContact C-N 3.34Å; L359-A362 PolarHBondContact O-N 3.47Å; L359-F363 WeakPolarHBondContact O-CB 3.4Å; L359-F363 PolarHBondContact O-N 2.64Å
360	V	96.9	Very high	92.3	Very high	21 Å²	21	48 Å²	48	13%	0.127	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-43.1	177.7	171.8	0	0	0	0	110.8	T135 L139 F356 A357 A358 F363 V364	T135-V360 HydrophobicContact CG2-CG1 4.37Å; L139-V360 HydrophobicContact CD2-CG1 3.75Å; L139-V360 HydrophobicContact CG-CG1 3.84Å; F356-V360 HydrophobicContact CD1-CG2 4.41Å; F356-V360 HydrophobicContact CE1-CG2 4.05Å; F356-V360 HydrophobicContact CE2-CG2 4.27Å; F356-V360 HydrophobicContact CZ-CG2 3.96Å; F356-V360 WeakPolarHBondContact O-CG2 3.33Å; F356-V360 PolarHBondContact O-N 3.37Å; A357-V360 PolarHBondContact O-N 3.2Å; A358-V360 PolarHBondContact O-N 2.97Å; V360-F363 PolarHBondContact O-N 3.12Å; V360-V364 WeakPolarHBondContact O-CG2 3.23Å; V360-V364 PolarHBondContact O-N 3.03Å
361	A	96.3	Very high	91.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-45.5	180	0	0	0	0	0	111.8	G138 A322 V326 A357 A358 L359 V364 L365	G138-A361 WeakPolarHBondContact O-CA 3.5Å; G138-A361 WeakPolarHBondContact O-CB 3.34Å; A322-A361 HydrophobicContact CB-CB 4.07Å; V326-A361 HydrophobicContact CG1-CB 3.42Å; V326-A361 VanDerWaalsContact CG1-CB 3.42Å; A357-A361 WeakPolarHBondContact O-CB 3.29Å; A357-A361 PolarHBondContact O-N 2.99Å; A358-A361 PolarHBondContact O-N 3.18Å; L359-A361 VanDerWaalsContact C-N 3.34Å; A361-V364 PolarHBondContact O-N 3.03Å; A361-L365 PolarHBondContact O-N 2.95Å
362	A	92.7	Very high	89.8	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.033	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-46.1	173.5	0	0	0	0	0	111.4	A358 L359 V364 L365 R366 L376	A358-A362 WeakPolarHBondContact O-CB 3.01Å; A358-A362 PolarHBondContact O-N 3.28Å; L359-A362 PolarHBondContact O-N 3.47Å; A362-V364 VanDerWaalsContact C-N 3.34Å; A362-V364 PolarHBondContact O-N 2.9Å; A362-L365 PolarHBondContact O-N 3.36Å; A362-R366 PolarHBondContact O-N 3.37Å; A362-L376 HydrophobicContact CB-CD2 4.09Å; A362-L376 WeakPolarHBondContact O-CD2 3.24Å
363	F	92.9	Very high	88.4	Confident	139 Å²	139	45.3 Å²	45.3	61%	0.61	24%	0.235	S	C	*	.	H	α-helix	trans	-59	-42.5	177.9	179.1	-96.2	0	0	0	112.9	L359 V360 R366 S367	L359-F363 WeakPolarHBondContact O-CB 3.4Å; L359-F363 PolarHBondContact O-N 2.64Å; V360-F363 PolarHBondContact O-N 3.12Å; F363-R366 WeakPolarHBondContact O-CB 3.28Å; F363-R366 PolarHBondContact O-N 2.82Å; F363-S367 WeakPolarHBondContact O-CB 3.31Å; F363-S367 PolarHBondContact O-N 2.94Å; F363-S367 PolarHBondContact O-OG 2.89Å
364	V	94.7	Very high	87	Confident	22 Å²	22	47 Å²	47	13%	0.133	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-45.5	174.8	171.3	0	0	0	0	111.4	L139 A143 V360 A361 A362 R366 S367 I368	L139-V364 HydrophobicContact CD2-CG2 3.43Å; L139-V364 VanDerWaalsContact CD2-CG2 3.43Å; A143-V364 HydrophobicContact CB-CG1 4.35Å; V360-V364 WeakPolarHBondContact O-CG2 3.23Å; V360-V364 PolarHBondContact O-N 3.03Å; A361-V364 PolarHBondContact O-N 3.03Å; A362-V364 VanDerWaalsContact C-N 3.34Å; A362-V364 PolarHBondContact O-N 2.9Å; V364-R366 VanDerWaalsContact C-N 3.29Å; V364-R366 PolarHBondContact O-N 3.45Å; V364-S367 WeakPolarHBondContact O-CB 3.32Å; V364-S367 PolarHBondContact O-N 2.94Å; V364-S367 VanDerWaalsContact O-N 3.09Å; V364-I368 HydrophobicContact CG1-CD1 3.95Å; V364-I368 WeakPolarHBondContact O-CG1 3.4Å; V364-I368 PolarHBondContact O-N 3.36Å
365	L	90.2	Very high	85.7	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-58.9	-42.8	177.1	-172.9	65.1	0	0	0	111.1	A145 V326 A361 A362 S367 I368 N369 P370	A145-L365 HydrophobicContact CB-CD1 4.38Å; V326-L365 HydrophobicContact CB-CD2 4.14Å; V326-L365 VanDerWaalsContact O-CD2 3.28Å; V326-L365 WeakPolarHBondContact O-CD2 3.47Å; A361-L365 PolarHBondContact O-N 2.95Å; A362-L365 PolarHBondContact O-N 3.36Å; L365-S367 VanDerWaalsContact C-N 3.31Å; L365-S367 PolarHBondContact O-N 2.87Å; L365-I368 PolarHBondContact O-N 2.93Å; L365-N369 PolarHBondContact O-N 3.25Å; L365-P370 HydrophobicContact CD1-CG 3.96Å; L365-P370 WeakPolarHBondContact O-CD 3.44Å
366	R	88.5	Confident	83.9	Confident	135 Å²	135	51.2 Å²	51.2	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-59.1	-41.4	173.8	-160	176.6	175.6	152.6	-3.3	113	A362 F363 V364 I368 N369 L376	A362-R366 PolarHBondContact O-N 3.37Å; F363-R366 WeakPolarHBondContact O-CB 3.28Å; F363-R366 PolarHBondContact O-N 2.82Å; V364-R366 VanDerWaalsContact C-N 3.29Å; V364-R366 PolarHBondContact O-N 3.45Å; R366-I368 VanDerWaalsContact C-N 3.3Å; R366-N369 PolarHBondContact O-N 3.31Å; R366-L376 HydrophobicContact CB-CD2 3.5Å; R366-L376 VanDerWaalsContact CB-CD2 3.5Å; R366-L376 HydrophobicContact CB-CG 4Å; R366-L376 HydrophobicContact CG-CD2 4.03Å; R366-L376 HydrophobicContact CG-CG 3.95Å
367	S	89.8	Confident	82.4	Confident	80 Å²	80	48.5 Å²	48.5	56%	0.559	26%	0.259	S	S	*	.	H	α-helix	trans	-69.4	-31.5	-177.7	-58.9	0	0	0	0	111.7	F363 V364 L365	F363-S367 WeakPolarHBondContact O-CB 3.31Å; F363-S367 PolarHBondContact O-N 2.94Å; F363-S367 PolarHBondContact O-OG 2.89Å; V364-S367 WeakPolarHBondContact O-CB 3.32Å; V364-S367 PolarHBondContact O-N 2.94Å; V364-S367 VanDerWaalsContact O-N 3.09Å; L365-S367 VanDerWaalsContact C-N 3.31Å; L365-S367 PolarHBondContact O-N 2.87Å
368	I	88.1	Confident	80.8	Confident	68 Å²	68	50.1 Å²	50.1	35%	0.349	27%	0.267	S	S	.	.	H	α-helix	trans	-74.1	-31.9	172.9	-65.8	169.2	0	0	0	111	A143 I150 V364 L365 R366	A143-I368 HydrophobicContact CB-CD1 4.46Å; I150-I368 HydrophobicContact CD1-CG2 3.93Å; V364-I368 HydrophobicContact CG1-CD1 3.95Å; V364-I368 WeakPolarHBondContact O-CG1 3.4Å; V364-I368 PolarHBondContact O-N 3.36Å; L365-I368 PolarHBondContact O-N 2.93Å; R366-I368 VanDerWaalsContact C-N 3.3Å
369	N	82.9	Confident	79.4	Confident	55 Å²	55	50.5 Å²	50.5	29%	0.294	27%	0.269	S	S	.	.			trans	50.1	58.9	179.3	-170.8	31.1	0	0	0	113	L365 R366 F371 G372 S374	L365-N369 PolarHBondContact O-N 3.25Å; R366-N369 PolarHBondContact O-N 3.31Å; N369-F371 PolarHBondContact O-N 3.02Å; N369-G372 PolarHBondContact O-N 3.46Å; N369-G372 PolarHBondContact OD1-N 3.21Å; N369-S374 PolarHBondContact OD1-N 2.66Å
370	P	73.9	Confident	78.2	Confident	9 Å²	9	50.2 Å²	50.2	6%	0.058	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.3	-175.1	25.7	-35	0	0	0	112.9	D149 I150 L365	D149-P370 HydrophobicContact CB-CB 4.1Å; I150-P370 HydrophobicContact CD1-CB 4.31Å; I150-P370 HydrophobicContact CG1-CB 3.79Å; L365-P370 HydrophobicContact CD1-CG 3.96Å; L365-P370 WeakPolarHBondContact O-CD 3.44Å
371	F	67.4	Low	76.9	Confident	33 Å²	33	49.9 Å²	49.9	15%	0.145	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-1.6	-175.6	-49.9	-55.1	0	0	0	114.3	D149 N369 N373 L378	D149-F371 HydrophobicContact CB-CE1 4.41Å; N369-F371 PolarHBondContact O-N 3.02Å; F371-N373 PolarHBondContact O-N 3.38Å; F371-L378 HydrophobicContact CD1-CD1 3.61Å; F371-L378 HydrophobicContact CD2-CD1 4.41Å; F371-L378 HydrophobicContact CE1-CD1 3.5Å; F371-L378 VanDerWaalsContact CE1-CD1 3.5Å; F371-L378 HydrophobicContact CE1-CG 4.48Å; F371-L378 HydrophobicContact CE2-CB 4.29Å; F371-L378 HydrophobicContact CE2-CD1 4.29Å; F371-L378 HydrophobicContact CG-CD1 4.1Å; F371-L378 HydrophobicContact CZ-CB 4.28Å; F371-L378 HydrophobicContact CZ-CD1 3.86Å; F371-L378 HydrophobicContact CZ-CG 4.45Å
372	G	65	Low	75.7	Confident	54 Å²	54	55 Å²	55	56%	0.557	28%	0.284	S	S	*	.	S	Bend	trans	67.9	-9.1	179.8	0	0	0	0	0	116	N369 S374	N369-G372 PolarHBondContact O-N 3.46Å; N369-G372 PolarHBondContact OD1-N 3.21Å; G372-S374 PolarHBondContact O-N 3.37Å
373	N	64.7	Low	74.8	Confident	61 Å²	61	55.5 Å²	55.5	33%	0.326	29%	0.285	S	S	.	.	S	Bend	trans	-88.9	2.9	-172.8	64.4	6.5	0	0	0	114.3	F371 R375	F371-N373 PolarHBondContact O-N 3.38Å; N373-R375 PolarHBondContact O-N 3.4Å; N373-R375 PolarHBondContact OD1-N 2.96Å; N373-R375 VanDerWaalsContact OD1-N 3.12Å; N373-R375 PolarHBondContact OD1-O 2.91Å
374	S	66.1	Low	73.6	Confident	73 Å²	73	56.6 Å²	56.6	51%	0.51	29%	0.292	S	S	.	.	S	Bend	trans	60.8	1.8	-176.1	75.9	0	0	0	0	115.4	N369 G372	N369-S374 PolarHBondContact OD1-N 2.66Å; G372-S374 PolarHBondContact O-N 3.37Å
375	R	66.9	Low	72.5	Confident	118 Å²	118	57.1 Å²	57.1	45%	0.445	30%	0.295	S	S	.	.			trans	-97.3	150.7	178.4	-62.5	-68.5	-175	157.5	3.4	109.4	N373 V377	N373-R375 PolarHBondContact O-N 3.4Å; N373-R375 PolarHBondContact OD1-N 2.96Å; N373-R375 VanDerWaalsContact OD1-N 3.12Å; N373-R375 PolarHBondContact OD1-O 2.91Å; R375-V377 VanDerWaalsContact C-N 3.33Å
376	L	59.1	Low	71.9	Confident	45 Å²	45	60.1 Å²	60.1	24%	0.236	32%	0.315	C	S	.	.	S	Bend	trans	-76	-25.8	178.3	-83.6	159.8	0	0	0	113.1	A362 R366	A362-L376 HydrophobicContact CB-CD2 4.09Å; A362-L376 WeakPolarHBondContact O-CD2 3.24Å; R366-L376 HydrophobicContact CB-CD2 3.5Å; R366-L376 VanDerWaalsContact CB-CD2 3.5Å; R366-L376 HydrophobicContact CB-CG 4Å; R366-L376 HydrophobicContact CG-CD2 4.03Å; R366-L376 HydrophobicContact CG-CG 3.95Å
377	V	64.7	Low	71.7	Confident	11 Å²	11	56.5 Å²	56.5	7%	0.067	30%	0.302	C	S	.	.			trans	-105.3	135.6	-168.1	165.5	0	0	0	0	109.6	R375 F379 L602	R375-V377 VanDerWaalsContact C-N 3.33Å; V377-F379 VanDerWaalsContact C-N 3.32Å; V377-F379 VanDerWaalsContact CG1-N 3.31Å; V377-F379 PolarHBondContact O-N 3.11Å; V377-L602 HydrophobicContact CB-CD2 4.26Å; V377-L602 HydrophobicContact CG1-CB 4.06Å; V377-L602 HydrophobicContact CG1-CD2 3.32Å; V377-L602 HydrophobicContact CG1-CG 4.29Å; V377-L602 WeakPolarHBondContact CG1-O 3.36Å; V377-L602 HydrophobicContact CG2-CD2 4.13Å
378	L	64.4	Low	71.5	Confident	34 Å²	34	55.5 Å²	55.5	18%	0.178	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.8	177.7	-175.4	54.6	0	0	0	113.5	F371	F371-L378 HydrophobicContact CD1-CD1 3.61Å; F371-L378 HydrophobicContact CD2-CD1 4.41Å; F371-L378 HydrophobicContact CE1-CD1 3.5Å; F371-L378 VanDerWaalsContact CE1-CD1 3.5Å; F371-L378 HydrophobicContact CE1-CG 4.48Å; F371-L378 HydrophobicContact CE2-CB 4.29Å; F371-L378 HydrophobicContact CE2-CD1 4.29Å; F371-L378 HydrophobicContact CG-CD1 4.1Å; F371-L378 HydrophobicContact CZ-CB 4.28Å; F371-L378 HydrophobicContact CZ-CD1 3.86Å; F371-L378 HydrophobicContact CZ-CG 4.45Å
379	F	67.7	Low	71.4	Confident	7 Å²	7	58.3 Å²	58.3	3%	0.031	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	44.6	-172.2	-49.9	-56.1	0	0	0	114	V377 V381 S455 I458 K459 F462 I530	V377-F379 VanDerWaalsContact C-N 3.32Å; V377-F379 VanDerWaalsContact CG1-N 3.31Å; V377-F379 PolarHBondContact O-N 3.11Å; F379-V381 PolarHBondContact O-N 3Å; F379-V381 VanDerWaalsContact O-N 3.12Å; F379-S455 WeakPolarHBondContact CE1-O 3.46Å; F379-I458 HydrophobicContact CD1-CG2 4.18Å; F379-I458 HydrophobicContact CD2-CG2 4.38Å; F379-I458 HydrophobicContact CE1-CB 4.06Å; F379-I458 HydrophobicContact CE1-CG2 4.08Å; F379-I458 HydrophobicContact CE2-CG2 4.25Å; F379-I458 HydrophobicContact CG-CG2 4.34Å; F379-I458 HydrophobicContact CZ-CB 4.12Å; F379-I458 HydrophobicContact CZ-CG2 4.09Å; F379-K459 HydrophobicContact CD1-CB 3.82Å; F379-K459 HydrophobicContact CD1-CG 4.47Å; F379-K459 HydrophobicContact CE1-CB 4.07Å; F379-F462 HydrophobicContact CB-CD2 4.02Å; F379-F462 HydrophobicContact CB-CE2 4.34Å; F379-F462 HydrophobicContact CG-CD2 4.47Å; F379-I530 HydrophobicContact CE2-CD1 4.41Å
380	Y	69.4	Low	71.5	Confident	81 Å²	81	56.7 Å²	56.7	32%	0.318	29%	0.291	S	S	.	.			trans	-69.2	112.6	178	-177.1	-92.1	0	0	0	110.1	E382	Y380-E382 HydrophobicContact CE1-CB 4.11Å; Y380-E382 PolarHBondContact OH-OE2 3Å
381	V	70.4	Confident	72.2	Confident	14 Å²	14	56.4 Å²	56.4	9%	0.085	29%	0.289	C	S	.	.			trans	-130.4	126.8	172.4	-174.1	0	0	0	0	108.2	F379 Y383 F462 T463 T603	F379-V381 PolarHBondContact O-N 3Å; F379-V381 VanDerWaalsContact O-N 3.12Å; V381-Y383 HydrophobicContact CB-CE2 4.04Å; V381-Y383 HydrophobicContact CG1-CD1 4.22Å; V381-Y383 HydrophobicContact CG1-CD2 4.42Å; V381-Y383 HydrophobicContact CG1-CE1 3.67Å; V381-Y383 HydrophobicContact CG1-CE2 3.81Å; V381-Y383 VanDerWaalsContact CG1-CZ 3.45Å; V381-F462 HydrophobicContact CG2-CB 3.84Å; V381-T463 HydrophobicContact CG2-CG2 4.25Å; V381-T603 VanDerWaalsContact O-O 3.09Å
382	E	70.1	Confident	73.3	Confident	108 Å²	108	57.1 Å²	57.1	51%	0.505	29%	0.294	S	S	.	.			trans	-106.4	116.9	177.4	-168.4	169.1	167.3	0	0	108.1	Y380	Y380-E382 HydrophobicContact CE1-CB 4.11Å; Y380-E382 PolarHBondContact OH-OE2 3Å
383	Y	73.9	Confident	74.7	Confident	15 Å²	15	60 Å²	60	6%	0.059	30%	0.295	C	S	.	.			trans	-96.8	130.7	178	-59.5	-75	0	0	0	108.7	V381 F462 D464 T572 G574 M578 Y608	V381-Y383 HydrophobicContact CB-CE2 4.04Å; V381-Y383 HydrophobicContact CG1-CD1 4.22Å; V381-Y383 HydrophobicContact CG1-CD2 4.42Å; V381-Y383 HydrophobicContact CG1-CE1 3.67Å; V381-Y383 HydrophobicContact CG1-CE2 3.81Å; V381-Y383 VanDerWaalsContact CG1-CZ 3.45Å; Y383-F462 PolarHBondContact OH-O 3.26Å; Y383-D464 WeakPolarHBondContact CD1-OD2 3.4Å; Y383-D464 WeakPolarHBondContact CE1-OD2 3.49Å; Y383-T572 HydrophobicContact CD1-CG2 3.51Å; Y383-T572 HydrophobicContact CE1-CG2 3.83Å; Y383-G574 PolarHBondContact OH-O 2.99Å; Y383-M578 HydrophobicContact CD2-CE 3.78Å; Y383-M578 HydrophobicContact CE2-CE 3.02Å; Y383-M578 HydrophobicContact CE2-SD 3.62Å; Y383-Y608 WeakPolarHBondContact CB-OH 3.32Å; Y383-Y608 HydrophobicContact CD2-CD2 4.42Å; Y383-Y608 AromaticContact CD2-CE2 3.95Å; Y383-Y608 HydrophobicContact CD2-CE2 3.95Å; Y383-Y608 HydrophobicContact CG-CE2 4.35Å; Y383-Y608 PolarHBondContact O-OH 2.81Å
384	H	67.6	Low	76	Confident	162 Å²	162	57.8 Å²	57.8	75%	0.75	29%	0.285	S	S	*	.			trans	-96.8	-8	-175.1	-62.6	-54.1	0	0	0	113.7
385	T	72.5	Confident	77.4	Confident	32 Å²	32	54.3 Å²	54.3	20%	0.196	26%	0.26	C	S	.	.	S	Bend	trans	-103.3	128.4	-176.5	44.1	0	0	0	0	110.9	D569 T572 Y608	T385-D569 HydrophobicContact CG2-CB 4.03Å; T385-D569 WeakPolarHBondContact CG2-O 3.47Å; T385-T572 PolarHBondContact OG1-OG1 3.09Å; T385-Y608 PolarHBondContact O-OH 3.26Å; T385-Y608 VanDerWaalsContact O-OH 3.1Å
386	P	77.1	Confident	78.9	Confident	68 Å²	68	51.7 Å²	51.7	44%	0.442	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-68.9	151	174	30.5	-34.4	0	0	0	110.4
387	W	84.2	Confident	80.6	Confident	59 Å²	59	54.8 Å²	54.8	22%	0.223	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-86.7	151.7	174	68	-83.8	0	0	0	111.3	L575 E607 Y608 V610 P611	W387-L575 HydrophobicContact CB-CD2 3.96Å; W387-E607 PolarHBondContact NE1-O 3.18Å; W387-Y608 AromaticContact CD1-CD1 3.92Å; W387-V610 HydrophobicContact CH2-CB 4.43Å; W387-V610 HydrophobicContact CH2-CG1 4.12Å; W387-V610 HydrophobicContact CZ2-CB 3.91Å; W387-V610 HydrophobicContact CZ2-CG1 4.09Å; W387-P611 HydrophobicContact CD2-CG 4.04Å; W387-P611 HydrophobicContact CG-CG 4.27Å; W387-P611 HydrophobicContact CZ2-CG 4.46Å
388	Y	85.6	Confident	82.2	Confident	59 Å²	59	54.6 Å²	54.6	23%	0.231	27%	0.269	C	S	.	.			trans	-108.1	155.4	-178.7	-58.8	-65.8	0	0	0	113.5	F390 E391 W563	Y388-F390 VanDerWaalsContact C-N 3.26Å; Y388-F390 AromaticContact CD2-CE1 3.79Å; Y388-F390 HydrophobicContact CD2-CE1 3.79Å; Y388-F390 HydrophobicContact CD2-CZ 4.07Å; Y388-F390 HydrophobicContact CG-CD1 4.48Å; Y388-F390 AromaticContact CG-CE1 3.8Å; Y388-F390 HydrophobicContact CG-CE1 3.8Å; Y388-F390 HydrophobicContact CG-CZ 4.47Å; Y388-F390 PolarHBondContact O-N 2.98Å; Y388-E391 PolarHBondContact N-OE1 3.41Å; Y388-E391 VanDerWaalsContact O-CB 3.29Å; Y388-E391 WeakPolarHBondContact O-CB 3.2Å; Y388-E391 PolarHBondContact O-N 3.33Å; Y388-W563 HydrophobicContact CD1-CD2 4.48Å; Y388-W563 AromaticContact CD1-CE3 3.4Å; Y388-W563 HydrophobicContact CD1-CE3 3.4Å; Y388-W563 AromaticContact CD1-CZ3 3.96Å; Y388-W563 HydrophobicContact CD1-CZ3 3.96Å; Y388-W563 HydrophobicContact CE1-CE3 4.06Å; Y388-W563 AromaticContact CG-CE3 3.92Å; Y388-W563 HydrophobicContact CG-CE3 3.92Å; Y388-W563 PolarHBondContact OH-O 3.36Å
389	L	85.6	Confident	83.8	Confident	126 Å²	126	53 Å²	53	66%	0.66	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-61.7	-30.6	-174.7	-170.7	141.5	0	0	0	113.5	E391 L392	L389-E391 PolarHBondContact O-N 3.09Å; L389-L392 WeakPolarHBondContact O-CB 3.39Å; L389-L392 PolarHBondContact O-N 3.25Å
390	F	85.9	Confident	85.2	Confident	22 Å²	22	54.9 Å²	54.9	10%	0.096	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-66.2	-28.1	176.8	70.8	-97.7	0	0	0	112.5	Y388 L392 I393 P394 M547 L559 F560 W563	Y388-F390 VanDerWaalsContact C-N 3.26Å; Y388-F390 AromaticContact CD2-CE1 3.79Å; Y388-F390 HydrophobicContact CD2-CE1 3.79Å; Y388-F390 HydrophobicContact CD2-CZ 4.07Å; Y388-F390 HydrophobicContact CG-CD1 4.48Å; Y388-F390 AromaticContact CG-CE1 3.8Å; Y388-F390 HydrophobicContact CG-CE1 3.8Å; Y388-F390 HydrophobicContact CG-CZ 4.47Å; Y388-F390 PolarHBondContact O-N 2.98Å; F390-L392 PolarHBondContact O-N 3.46Å; F390-I393 PolarHBondContact O-N 2.95Å; F390-P394 WeakPolarHBondContact O-CD 3.45Å; F390-M547 HydrophobicContact CD2-CE 3.9Å; F390-M547 HydrophobicContact CE2-CE 3.7Å; F390-L559 HydrophobicContact CB-CD2 4.12Å; F390-F560 HydrophobicContact CD2-CE1 4.37Å; F390-F560 HydrophobicContact CE2-CD1 4.36Å; F390-F560 AromaticContact CE2-CE1 3.81Å; F390-F560 HydrophobicContact CE2-CE1 3.81Å; F390-F560 HydrophobicContact CZ-CD1 4.36Å; F390-F560 HydrophobicContact CZ-CE1 4.25Å; F390-W563 HydrophobicContact CE1-CB 4.17Å; F390-W563 HydrophobicContact CE1-CG 4.48Å
391	E	88.4	Confident	86.5	Confident	3 Å²	3	54.6 Å²	54.6	1%	0.014	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-68.8	-15.9	176.7	-58.3	-170.9	-106.9	0	0	112.6	Y388 L389 I393 P394 F395 Y576	Y388-E391 PolarHBondContact N-OE1 3.41Å; Y388-E391 VanDerWaalsContact O-CB 3.29Å; Y388-E391 WeakPolarHBondContact O-CB 3.2Å; Y388-E391 PolarHBondContact O-N 3.33Å; L389-E391 PolarHBondContact O-N 3.09Å; E391-I393 PolarHBondContact O-N 3.32Å; E391-P394 WeakPolarHBondContact O-CD 3.48Å; E391-P394 WeakPolarHBondContact O-CG 3.33Å; E391-F395 HydrophobicContact CB-CD2 4.27Å; E391-F395 HydrophobicContact CB-CE2 3.67Å; E391-F395 HydrophobicContact CB-CZ 3.97Å; E391-F395 WeakPolarHBondContact O-CD2 3.47Å; E391-F395 WeakPolarHBondContact O-CG 2.71Å; E391-F395 PolarHBondContact O-N 3.36Å; E391-F395 VanDerWaalsContact O-N 3.09Å; E391-Y576 WeakPolarHBondContact CB-OH 3.49Å; E391-Y576 VanDerWaalsContact CG-OH 3.32Å; E391-Y576 WeakPolarHBondContact CG-OH 3.45Å; E391-Y576 WeakPolarHBondContact OE2-CE2 3.26Å; E391-Y576 PolarHBondContact OE2-OH 2.8Å
392	L	90.9	Very high	87.8	Confident	47 Å²	47	53.9 Å²	53.9	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-32.5	173.3	-170	63.4	0	0	0	112.1	L389 F390 F395 I396 A614	L389-L392 WeakPolarHBondContact O-CB 3.39Å; L389-L392 PolarHBondContact O-N 3.25Å; F390-L392 PolarHBondContact O-N 3.46Å; L392-F395 PolarHBondContact O-N 2.84Å; L392-I396 HydrophobicContact CD2-CD1 4.49Å; L392-I396 HydrophobicContact CG-CD1 3.96Å; L392-I396 HydrophobicContact CG-CG1 4.4Å; L392-I396 WeakPolarHBondContact O-CB 3.5Å; L392-I396 VanDerWaalsContact O-CG1 3.25Å; L392-I396 WeakPolarHBondContact O-CG1 3.19Å; L392-I396 PolarHBondContact O-N 3.25Å; L392-A614 HydrophobicContact CD1-CB 3.77Å
393	I	92.7	Very high	89.1	Confident	114 Å²	114	48.8 Å²	48.8	59%	0.585	25%	0.245	S	C	*	.	H	α-helix	trans	-62.6	-57.3	178.9	-59.8	173.4	0	0	0	110.9	F390 E391 F395 I396 L397	F390-I393 PolarHBondContact O-N 2.95Å; E391-I393 PolarHBondContact O-N 3.32Å; I393-F395 VanDerWaalsContact C-N 3.28Å; I393-F395 PolarHBondContact O-N 2.96Å; I393-I396 PolarHBondContact O-N 3.28Å; I393-L397 WeakPolarHBondContact O-CG 3.11Å; I393-L397 PolarHBondContact O-N 3.43Å
394	P	93.6	Very high	90.2	Very high	16 Å²	16	52 Å²	52	10%	0.104	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-29.1	176.7	25.8	-35	0	0	0	113.1	F390 E391 L397 L398 V543 Y576	F390-P394 WeakPolarHBondContact O-CD 3.45Å; E391-P394 WeakPolarHBondContact O-CD 3.48Å; E391-P394 WeakPolarHBondContact O-CG 3.33Å; P394-L397 PolarHBondContact O-N 3.41Å; P394-L398 WeakPolarHBondContact O-CG 3.41Å; P394-L398 PolarHBondContact O-N 3.38Å; P394-V543 HydrophobicContact CB-CG1 4.38Å; P394-Y576 HydrophobicContact CB-CE1 3.85Å; P394-Y576 HydrophobicContact CG-CE1 3.74Å
395	F	95.6	Very high	91.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.3	-40.9	171.1	-63.8	-31.8	0	0	0	112.9	E391 L392 I393 L397 L398 G399 L575 Y576 V579 P611 A615	E391-F395 HydrophobicContact CB-CD2 4.27Å; E391-F395 HydrophobicContact CB-CE2 3.67Å; E391-F395 HydrophobicContact CB-CZ 3.97Å; E391-F395 WeakPolarHBondContact O-CD2 3.47Å; E391-F395 WeakPolarHBondContact O-CG 2.71Å; E391-F395 PolarHBondContact O-N 3.36Å; E391-F395 VanDerWaalsContact O-N 3.09Å; L392-F395 PolarHBondContact O-N 2.84Å; I393-F395 VanDerWaalsContact C-N 3.28Å; I393-F395 PolarHBondContact O-N 2.96Å; F395-L397 VanDerWaalsContact C-N 3.35Å; F395-L398 PolarHBondContact O-N 2.97Å; F395-G399 PolarHBondContact O-N 3.05Å; F395-L575 HydrophobicContact CE1-CG 4.5Å; F395-L575 HydrophobicContact CZ-CD2 3.9Å; F395-L575 HydrophobicContact CZ-CG 4.1Å; F395-Y576 HydrophobicContact CD1-CD1 4.15Å; F395-Y576 HydrophobicContact CD1-CE1 4.12Å; F395-Y576 AromaticContact CE1-CD1 3.79Å; F395-Y576 HydrophobicContact CE1-CD1 3.79Å; F395-Y576 AromaticContact CE1-CD2 3.86Å; F395-Y576 HydrophobicContact CE1-CD2 3.86Å; F395-Y576 AromaticContact CE1-CE1 3.74Å; F395-Y576 HydrophobicContact CE1-CE1 3.74Å; F395-Y576 AromaticContact CE1-CE2 3.76Å; F395-Y576 HydrophobicContact CE1-CE2 3.76Å; F395-Y576 AromaticContact CE1-CG 3.84Å; F395-Y576 HydrophobicContact CE1-CG 3.84Å; F395-Y576 AromaticContact CE1-CZ 3.7Å; F395-Y576 HydrophobicContact CZ-CD2 4.39Å; F395-Y576 AromaticContact CZ-CE2 3.99Å; F395-Y576 HydrophobicContact CZ-CE2 3.99Å; F395-V579 HydrophobicContact CB-CG1 4.03Å; F395-V579 HydrophobicContact CD1-CB 4.01Å; F395-V579 HydrophobicContact CD1-CG1 3.78Å; F395-V579 HydrophobicContact CD1-CG2 3.98Å; F395-V579 HydrophobicContact CE1-CB 4.36Å; F395-V579 HydrophobicContact CE1-CG2 4.03Å; F395-V579 HydrophobicContact CG-CG1 4.08Å; F395-V579 HydrophobicContact CG-CG2 4.46Å; F395-P611 HydrophobicContact CD2-CB 3.34Å; F395-P611 HydrophobicContact CD2-CG 4.44Å; F395-P611 HydrophobicContact CE2-CB 3.63Å; F395-P611 HydrophobicContact CE2-CG 4.28Å; F395-P611 HydrophobicContact CG-CB 4.16Å; F395-A615 WeakPolarHBondContact O-CB 3.35Å
396	I	96.5	Very high	92.6	Very high	63 Å²	63	43.3 Å²	43.3	32%	0.323	22%	0.22	S	C	.	.	H	α-helix	trans	-64.8	-40.6	173.9	-71.1	168.5	0	0	0	110.4	L392 I393 L398 G399 V400 T618	L392-I396 HydrophobicContact CD2-CD1 4.49Å; L392-I396 HydrophobicContact CG-CD1 3.96Å; L392-I396 HydrophobicContact CG-CG1 4.4Å; L392-I396 WeakPolarHBondContact O-CB 3.5Å; L392-I396 VanDerWaalsContact O-CG1 3.25Å; L392-I396 WeakPolarHBondContact O-CG1 3.19Å; L392-I396 PolarHBondContact O-N 3.25Å; I393-I396 PolarHBondContact O-N 3.28Å; I396-L398 VanDerWaalsContact C-N 3.35Å; I396-L398 PolarHBondContact O-N 2.88Å; I396-G399 CarbonylContact O-C 3.49Å; I396-G399 VanDerWaalsContact O-CA 3.27Å; I396-G399 WeakPolarHBondContact O-CA 3.5Å; I396-G399 PolarHBondContact O-N 3.25Å; I396-V400 WeakPolarHBondContact O-CG2 3.45Å; I396-V400 PolarHBondContact O-N 3.18Å; I396-T618 HydrophobicContact CG2-CG2 4.01Å
397	L	96.7	Very high	93.5	Very high	110 Å²	110	40.5 Å²	40.5	58%	0.576	20%	0.202	S	C	*	.	H	α-helix	trans	-62.3	-40	175.6	-67.8	176.7	0	0	0	112.3	I393 P394 F395 G399 V400 F401	I393-L397 WeakPolarHBondContact O-CG 3.11Å; I393-L397 PolarHBondContact O-N 3.43Å; P394-L397 PolarHBondContact O-N 3.41Å; F395-L397 VanDerWaalsContact C-N 3.35Å; L397-G399 VanDerWaalsContact C-N 3.28Å; L397-G399 PolarHBondContact O-N 3.21Å; L397-V400 PolarHBondContact O-N 3.14Å; L397-F401 PolarHBondContact O-N 2.8Å
398	L	96.9	Very high	94	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-37.7	170.4	-73.2	174.4	0	0	0	111.6	P394 F395 I396 F401 G402 V543 Y576 V579	P394-L398 WeakPolarHBondContact O-CG 3.41Å; P394-L398 PolarHBondContact O-N 3.38Å; F395-L398 PolarHBondContact O-N 2.97Å; I396-L398 VanDerWaalsContact C-N 3.35Å; I396-L398 PolarHBondContact O-N 2.88Å; L398-F401 PolarHBondContact O-N 3.47Å; L398-G402 PolarHBondContact O-N 3.44Å; L398-V543 HydrophobicContact CD2-CB 4.17Å; L398-V543 HydrophobicContact CD2-CG2 3.89Å; L398-Y576 HydrophobicContact CD1-CD1 4.09Å; L398-V579 HydrophobicContact CD1-CG1 4.49Å
399	G	97.6	Very high	94.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.6	-52.2	169	0	0	0	0	0	112.6	F395 I396 L397 F401 G402 G403 A615 S619	F395-G399 PolarHBondContact O-N 3.05Å; I396-G399 CarbonylContact O-C 3.49Å; I396-G399 VanDerWaalsContact O-CA 3.27Å; I396-G399 WeakPolarHBondContact O-CA 3.5Å; I396-G399 PolarHBondContact O-N 3.25Å; L397-G399 VanDerWaalsContact C-N 3.28Å; L397-G399 PolarHBondContact O-N 3.21Å; G399-F401 VanDerWaalsContact C-N 3.34Å; G399-F401 PolarHBondContact O-N 2.89Å; G399-G402 PolarHBondContact O-N 3.28Å; G399-G403 PolarHBondContact O-N 2.86Å; G399-A615 VanDerWaalsContact CA-O 3.31Å; G399-A615 WeakPolarHBondContact CA-O 3.45Å; G399-S619 WeakPolarHBondContact O-CA 3.34Å; G399-S619 VanDerWaalsContact O-CB 3.24Å; G399-S619 WeakPolarHBondContact O-CB 3.37Å
400	V	98.1	Very high	95	Very high	48 Å²	48	35.2 Å²	35.2	29%	0.291	18%	0.178	S	C	.	.	H	α-helix	trans	-58.5	-46.5	177.4	177	0	0	0	0	111.1	I396 L397 G402 G403 L404 T618 V622	I396-V400 WeakPolarHBondContact O-CG2 3.45Å; I396-V400 PolarHBondContact O-N 3.18Å; L397-V400 PolarHBondContact O-N 3.14Å; V400-G402 PolarHBondContact O-N 3.15Å; V400-G403 PolarHBondContact O-N 3.22Å; V400-L404 HydrophobicContact CG1-CD1 3.98Å; V400-L404 HydrophobicContact CG1-CG 4.36Å; V400-L404 WeakPolarHBondContact O-CG 3.5Å; V400-L404 PolarHBondContact O-N 3.05Å; V400-T618 HydrophobicContact CG2-CG2 3.78Å; V400-V622 HydrophobicContact CB-CG2 4.47Å; V400-V622 HydrophobicContact CG1-CG1 4.49Å; V400-V622 HydrophobicContact CG1-CG2 4.4Å; V400-V622 HydrophobicContact CG2-CG2 4.18Å
401	F	97.2	Very high	95.4	Very high	74 Å²	74	41.4 Å²	41.4	33%	0.325	20%	0.2	S	C	.	.	H	α-helix	trans	-57.9	-47	175.8	173.8	-99.5	0	0	0	111.8	L397 L398 G399 G403 L404 W405 A539	L397-F401 PolarHBondContact O-N 2.8Å; L398-F401 PolarHBondContact O-N 3.47Å; G399-F401 VanDerWaalsContact C-N 3.34Å; G399-F401 PolarHBondContact O-N 2.89Å; F401-G403 VanDerWaalsContact C-N 3.33Å; F401-G403 PolarHBondContact O-N 3.42Å; F401-L404 PolarHBondContact O-N 3.26Å; F401-W405 VanDerWaalsContact O-CB 3.27Å; F401-W405 WeakPolarHBondContact O-CB 3.28Å; F401-W405 PolarHBondContact O-N 3.49Å; F401-A539 HydrophobicContact CD1-CB 4.1Å; F401-A539 HydrophobicContact CE1-CB 3.51Å; F401-A539 HydrophobicContact CZ-CB 4.05Å
402	G	96.9	Very high	95.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-39.6	178.2	0	0	0	0	0	113.3	L398 G399 V400 G406 S619	L398-G402 PolarHBondContact O-N 3.44Å; G399-G402 PolarHBondContact O-N 3.28Å; V400-G402 PolarHBondContact O-N 3.15Å; G402-G406 PolarHBondContact O-N 2.92Å; G402-S619 VanDerWaalsContact C-OG 3.28Å
403	G	96.9	Very high	95.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69	-44.5	177.4	0	0	0	0	0	112.9	G399 V400 F401 G406 A407 S619	G399-G403 PolarHBondContact O-N 2.86Å; V400-G403 PolarHBondContact O-N 3.22Å; F401-G403 VanDerWaalsContact C-N 3.33Å; F401-G403 PolarHBondContact O-N 3.42Å; G403-G406 PolarHBondContact O-N 2.85Å; G403-A407 WeakPolarHBondContact O-CB 3.37Å; G403-A407 PolarHBondContact O-N 3.28Å; G403-S619 WeakPolarHBondContact CA-O 3.46Å; G403-S619 PolarHBondContact N-OG 3.39Å; G403-S619 VanDerWaalsContact N-OG 3.08Å
404	L	96.9	Very high	95.8	Very high	82 Å²	82	35.8 Å²	35.8	43%	0.429	18%	0.175	S	C	.	.	H	α-helix	trans	-62.9	-46.3	175.5	-70.7	175.2	0	0	0	111.5	V400 F401 A407 F408 V622 F626	V400-L404 HydrophobicContact CG1-CD1 3.98Å; V400-L404 HydrophobicContact CG1-CG 4.36Å; V400-L404 WeakPolarHBondContact O-CG 3.5Å; V400-L404 PolarHBondContact O-N 3.05Å; F401-L404 PolarHBondContact O-N 3.26Å; L404-A407 PolarHBondContact O-N 3.02Å; L404-F408 WeakPolarHBondContact O-CB 3.32Å; L404-F408 PolarHBondContact O-N 2.91Å; L404-V622 HydrophobicContact CD2-CG1 3.98Å; L404-V622 HydrophobicContact CG-CG1 3.91Å; L404-F626 HydrophobicContact CD2-CD2 4.23Å; L404-F626 HydrophobicContact CD2-CE2 3.39Å; L404-F626 HydrophobicContact CD2-CZ 3.78Å
405	W	95.5	Very high	95.7	Very high	13 Å²	13	37.7 Å²	37.7	5%	0.049	19%	0.192	C	C	.	.	H	α-helix	trans	-57.8	-49.3	174.3	165.8	-115.9	0	0	0	111.1	F401 A407 F408 F409 I513 I517 I535	F401-W405 VanDerWaalsContact O-CB 3.27Å; F401-W405 WeakPolarHBondContact O-CB 3.28Å; F401-W405 PolarHBondContact O-N 3.49Å; W405-A407 PolarHBondContact O-N 3.49Å; W405-F408 HydrophobicContact CE3-CD1 4.01Å; W405-F408 AromaticContact CZ3-CD1 3.72Å; W405-F408 HydrophobicContact CZ3-CD1 3.72Å; W405-F408 HydrophobicContact CZ3-CE1 4.07Å; W405-F408 PolarHBondContact O-N 3.49Å; W405-F409 HydrophobicContact CD2-CB 4.42Å; W405-F409 HydrophobicContact CH2-CB 4.14Å; W405-F409 AromaticContact CH2-CD2 3.89Å; W405-F409 HydrophobicContact CH2-CD2 3.89Å; W405-F409 HydrophobicContact CH2-CG 4.45Å; W405-F409 HydrophobicContact CZ2-CB 3.98Å; W405-F409 AromaticContact CZ2-CD2 3.71Å; W405-F409 HydrophobicContact CZ2-CD2 3.71Å; W405-F409 HydrophobicContact CZ2-CG 4.12Å; W405-F409 HydrophobicContact CZ3-CB 4.41Å; W405-F409 VanDerWaalsContact O-CB 3.24Å; W405-F409 WeakPolarHBondContact O-CB 3.48Å; W405-F409 PolarHBondContact O-N 3.4Å; W405-I513 HydrophobicContact CE3-CD1 4.34Å; W405-I513 HydrophobicContact CE3-CG1 4.06Å; W405-I513 HydrophobicContact CE3-CG2 4.31Å; W405-I513 HydrophobicContact CH2-CB 3.83Å; W405-I513 HydrophobicContact CH2-CG1 3.75Å; W405-I513 HydrophobicContact CH2-CG2 3.64Å; W405-I513 HydrophobicContact CZ2-CG1 4.22Å; W405-I513 HydrophobicContact CZ3-CB 3.88Å; W405-I513 HydrophobicContact CZ3-CD1 4.3Å; W405-I513 HydrophobicContact CZ3-CG1 3.67Å; W405-I513 HydrophobicContact CZ3-CG2 3.33Å; W405-I517 HydrophobicContact CH2-CD1 4.25Å; W405-I517 HydrophobicContact CH2-CG1 4.27Å; W405-I517 HydrophobicContact CZ3-CD1 4.45Å; W405-I535 HydrophobicContact CD2-CG2 4.4Å; W405-I535 HydrophobicContact CH2-CD1 4.18Å; W405-I535 HydrophobicContact CZ2-CD1 3.4Å
406	G	96	Very high	95.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.3	-46.5	179.2	0	0	0	0	0	112.9	G402 G403 F409 I410 G587	G402-G406 PolarHBondContact O-N 2.92Å; G403-G406 PolarHBondContact O-N 2.85Å; G406-F409 PolarHBondContact O-N 2.82Å; G406-I410 WeakPolarHBondContact O-CD1 3.31Å; G406-I410 WeakPolarHBondContact O-CG1 3.45Å; G406-I410 PolarHBondContact O-N 3.35Å; G406-G587 WeakPolarHBondContact CA-O 3.38Å
407	A	95.5	Very high	95.2	Very high	8 Å²	8	38.3 Å²	38.3	7%	0.066	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-44.8	176.9	0	0	0	0	0	112.7	G403 L404 W405 R411 F626	G403-A407 WeakPolarHBondContact O-CB 3.37Å; G403-A407 PolarHBondContact O-N 3.28Å; L404-A407 PolarHBondContact O-N 3.02Å; W405-A407 PolarHBondContact O-N 3.49Å; A407-R411 WeakPolarHBondContact O-CG 3.39Å; A407-R411 PolarHBondContact O-N 2.93Å; A407-F626 HydrophobicContact CB-CB 3.62Å; A407-F626 HydrophobicContact CB-CD2 4.25Å; A407-F626 HydrophobicContact CB-CG 4.12Å
408	F	95.6	Very high	94.9	Very high	117 Å²	117	40.8 Å²	40.8	51%	0.513	19%	0.193	S	C	.	.	H	α-helix	trans	-61.6	-48.4	176	173	-103.5	0	0	0	111.5	L404 W405 I410 R411 A412 I517	L404-F408 WeakPolarHBondContact O-CB 3.32Å; L404-F408 PolarHBondContact O-N 2.91Å; W405-F408 HydrophobicContact CE3-CD1 4.01Å; W405-F408 AromaticContact CZ3-CD1 3.72Å; W405-F408 HydrophobicContact CZ3-CD1 3.72Å; W405-F408 HydrophobicContact CZ3-CE1 4.07Å; W405-F408 PolarHBondContact O-N 3.49Å; F408-I410 PolarHBondContact O-N 2.7Å; F408-R411 PolarHBondContact O-N 3.36Å; F408-A412 VanDerWaalsContact O-CB 3.29Å; F408-A412 WeakPolarHBondContact O-CB 3.2Å; F408-A412 PolarHBondContact O-N 3.42Å; F408-I517 HydrophobicContact CD1-CD1 4.48Å; F408-I517 HydrophobicContact CE1-CD1 3.76Å; F408-I517 HydrophobicContact CZ-CD1 4.45Å
409	F	96.1	Very high	94.5	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-57.5	-49.4	179.5	173.9	-94.9	0	0	0	111.8	W405 G406 R411 A412 N413 T516 I517 F520 L528 V588 I631	W405-F409 HydrophobicContact CD2-CB 4.42Å; W405-F409 HydrophobicContact CH2-CB 4.14Å; W405-F409 AromaticContact CH2-CD2 3.89Å; W405-F409 HydrophobicContact CH2-CD2 3.89Å; W405-F409 HydrophobicContact CH2-CG 4.45Å; W405-F409 HydrophobicContact CZ2-CB 3.98Å; W405-F409 AromaticContact CZ2-CD2 3.71Å; W405-F409 HydrophobicContact CZ2-CD2 3.71Å; W405-F409 HydrophobicContact CZ2-CG 4.12Å; W405-F409 HydrophobicContact CZ3-CB 4.41Å; W405-F409 VanDerWaalsContact O-CB 3.24Å; W405-F409 WeakPolarHBondContact O-CB 3.48Å; W405-F409 PolarHBondContact O-N 3.4Å; G406-F409 PolarHBondContact O-N 2.82Å; F409-R411 PolarHBondContact O-N 3.22Å; F409-A412 PolarHBondContact O-N 3.49Å; F409-N413 HydrophobicContact CE1-CB 4.38Å; F409-N413 HydrophobicContact CE2-CB 4.45Å; F409-N413 HydrophobicContact CZ-CB 4.21Å; F409-N413 WeakPolarHBondContact O-CB 3.42Å; F409-N413 PolarHBondContact O-N 3.32Å; F409-T516 HydrophobicContact CE2-CG2 3.79Å; F409-T516 HydrophobicContact CZ-CG2 4.26Å; F409-I517 HydrophobicContact CD2-CG1 3.65Å; F409-I517 HydrophobicContact CE2-CG1 4Å; F409-F520 HydrophobicContact CZ-CB 4.21Å; F409-F520 HydrophobicContact CZ-CD1 4.3Å; F409-F520 HydrophobicContact CZ-CG 4.48Å; F409-L528 HydrophobicContact CE1-CD1 4.03Å; F409-L528 HydrophobicContact CE1-CD2 3.61Å; F409-L528 HydrophobicContact CE1-CG 4.43Å; F409-L528 HydrophobicContact CE2-CD1 4.35Å; F409-L528 HydrophobicContact CZ-CD1 3.58Å; F409-L528 HydrophobicContact CZ-CD2 3.98Å; F409-L528 HydrophobicContact CZ-CG 4.43Å; F409-V588 HydrophobicContact CD1-CG1 3.95Å; F409-V588 HydrophobicContact CD1-CG2 4.21Å; F409-V588 HydrophobicContact CE1-CG1 4.07Å; F409-I631 HydrophobicContact CD1-CD1 4.38Å; F409-I631 HydrophobicContact CE1-CD1 3.82Å; F409-I631 HydrophobicContact CE1-CG1 4.11Å
410	I	94.9	Very high	93.9	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.077	22%	0.22	C	C	.	.	H	α-helix	trans	-60.3	-48.8	-179.4	-66.7	164	0	0	0	110.4	G406 F408 I414 I631 A634	G406-I410 WeakPolarHBondContact O-CD1 3.31Å; G406-I410 WeakPolarHBondContact O-CG1 3.45Å; G406-I410 PolarHBondContact O-N 3.35Å; F408-I410 PolarHBondContact O-N 2.7Å; I410-I414 HydrophobicContact CG2-CG1 4.35Å; I410-I414 WeakPolarHBondContact O-CB 3.33Å; I410-I414 WeakPolarHBondContact O-CG1 3.5Å; I410-I414 PolarHBondContact O-N 2.93Å; I410-I631 HydrophobicContact CG1-CB 4.14Å; I410-I631 HydrophobicContact CG1-CD1 4.14Å; I410-A634 HydrophobicContact CG2-CB 4.04Å
411	R	93.9	Very high	93.1	Very high	152 Å²	152	49.6 Å²	49.6	57%	0.574	22%	0.223	S	C	*	.	H	α-helix	trans	-62.3	-47.3	-180	-71.3	177.3	177.7	-171.2	-1.6	111.8	A407 F408 F409 A415 F626	A407-R411 WeakPolarHBondContact O-CG 3.39Å; A407-R411 PolarHBondContact O-N 2.93Å; F408-R411 PolarHBondContact O-N 3.36Å; F409-R411 PolarHBondContact O-N 3.22Å; R411-A415 VanDerWaalsContact O-CB 3.28Å; R411-A415 WeakPolarHBondContact O-CB 3.4Å; R411-A415 PolarHBondContact O-N 3.21Å; R411-F626 PolarHBondContact NH2-O 3.38Å
412	A	94.6	Very high	92.3	Very high	25 Å²	25	50.9 Å²	50.9	21%	0.207	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-46.4	-179.2	0	0	0	0	0	111.9	F408 F409 A415 W416 I517	F408-A412 VanDerWaalsContact O-CB 3.29Å; F408-A412 WeakPolarHBondContact O-CB 3.2Å; F408-A412 PolarHBondContact O-N 3.42Å; F409-A412 PolarHBondContact O-N 3.49Å; A412-A415 PolarHBondContact O-N 2.92Å; A412-W416 WeakPolarHBondContact O-CB 3.41Å; A412-W416 PolarHBondContact O-N 3.33Å; A412-I517 HydrophobicContact CB-CD1 4.16Å; A412-I517 HydrophobicContact CB-CG2 4.02Å
413	N	94.7	Very high	91.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-42.6	-179.7	179.4	-94.8	0	0	0	111.9	F409 W416 C417 I517 F520 H635	F409-N413 HydrophobicContact CE1-CB 4.38Å; F409-N413 HydrophobicContact CE2-CB 4.45Å; F409-N413 HydrophobicContact CZ-CB 4.21Å; F409-N413 WeakPolarHBondContact O-CB 3.42Å; F409-N413 PolarHBondContact O-N 3.32Å; N413-W416 PolarHBondContact O-N 2.91Å; N413-C417 WeakPolarHBondContact O-CB 3.37Å; N413-C417 PolarHBondContact O-N 2.73Å; N413-C417 PolarHBondContact O-SG 3.46Å; N413-I517 PolarHBondContact ND2-O 3.04Å; N413-F520 PolarHBondContact ND2-O 3.36Å; N413-H635 PolarHBondContact OD1-CE1 3.16Å
414	I	92.1	Very high	90.6	Very high	21 Å²	21	63.1 Å²	63.1	11%	0.108	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-40.6	176.9	-65.6	-67.3	0	0	0	111.3	I410 W416 C417 R418 A634 L638	I410-I414 HydrophobicContact CG2-CG1 4.35Å; I410-I414 WeakPolarHBondContact O-CB 3.33Å; I410-I414 WeakPolarHBondContact O-CG1 3.5Å; I410-I414 PolarHBondContact O-N 2.93Å; I414-W416 VanDerWaalsContact C-N 3.29Å; I414-W416 PolarHBondContact O-N 3.39Å; I414-C417 PolarHBondContact O-N 3.4Å; I414-R418 VanDerWaalsContact O-CB 3.27Å; I414-R418 WeakPolarHBondContact O-CB 3.36Å; I414-R418 PolarHBondContact O-N 2.92Å; I414-A634 HydrophobicContact CD1-CB 3.66Å; I414-A634 HydrophobicContact CG1-CB 3.83Å; I414-L638 HydrophobicContact CD1-CB 4.37Å; I414-L638 HydrophobicContact CD1-CD2 4.1Å
415	A	92.1	Very high	89.2	Confident	56 Å²	56	67 Å²	67	46%	0.463	31%	0.306	S	S	.	.	H	α-helix	trans	-60.1	-41.8	174.3	0	0	0	0	0	111.5	R411 A412 R419	R411-A415 VanDerWaalsContact O-CB 3.28Å; R411-A415 WeakPolarHBondContact O-CB 3.4Å; R411-A415 PolarHBondContact O-N 3.21Å; A412-A415 PolarHBondContact O-N 2.92Å; A415-R419 WeakPolarHBondContact O-CB 3.19Å; A415-R419 PolarHBondContact O-N 3.38Å
416	W	91.6	Very high	87.8	Confident	70 Å²	70	68.1 Å²	68.1	27%	0.265	32%	0.322	S	S	.	.	H	α-helix	trans	-66.6	-46.6	175.9	-175	-107.9	0	0	0	112.5	A412 N413 I414 R418 R419 R420 F518	A412-W416 WeakPolarHBondContact O-CB 3.41Å; A412-W416 PolarHBondContact O-N 3.33Å; N413-W416 PolarHBondContact O-N 2.91Å; I414-W416 VanDerWaalsContact C-N 3.29Å; I414-W416 PolarHBondContact O-N 3.39Å; W416-R418 VanDerWaalsContact C-N 3.3Å; W416-R418 PolarHBondContact O-N 2.96Å; W416-R419 CarbonylContact O-C 3.55Å; W416-R419 WeakPolarHBondContact O-CA 3.27Å; W416-R419 VanDerWaalsContact O-CB 3.26Å; W416-R419 WeakPolarHBondContact O-CB 3.35Å; W416-R419 PolarHBondContact O-N 3.01Å; W416-R419 VanDerWaalsContact O-N 3.08Å; W416-R420 VanDerWaalsContact CD1-CZ 3.47Å; W416-R420 PolarHBondContact O-N 3.35Å; W416-F518 AromaticContact CD2-CD1 3.78Å; W416-F518 HydrophobicContact CD2-CD1 3.78Å; W416-F518 AromaticContact CD2-CE1 3.72Å; W416-F518 HydrophobicContact CD2-CE1 3.72Å; W416-F518 AromaticContact CE2-CD1 3.48Å; W416-F518 VanDerWaalsContact CE2-CD1 3.48Å; W416-F518 AromaticContact CE2-CE1 3.77Å; W416-F518 HydrophobicContact CE3-CD1 4.28Å; W416-F518 AromaticContact CE3-CE1 3.74Å; W416-F518 HydrophobicContact CE3-CE1 3.74Å; W416-F518 HydrophobicContact CG-CD1 4.17Å; W416-F518 HydrophobicContact CG-CE1 4.38Å; W416-F518 HydrophobicContact CH2-CD1 4.25Å; W416-F518 AromaticContact CH2-CE1 3.86Å; W416-F518 HydrophobicContact CH2-CE1 3.86Å; W416-F518 AromaticContact CZ2-CD1 3.76Å; W416-F518 HydrophobicContact CZ2-CD1 3.76Å; W416-F518 AromaticContact CZ2-CE1 3.86Å; W416-F518 HydrophobicContact CZ2-CE1 3.86Å; W416-F518 HydrophobicContact CZ3-CD1 4.49Å; W416-F518 AromaticContact CZ3-CE1 3.81Å; W416-F518 HydrophobicContact CZ3-CE1 3.81Å; W416-F518 AromaticContact NE1-CD1 3.68Å
417	C	90	Very high	87	Confident	7 Å²	7	75.4 Å²	75.4	5%	0.047	35%	0.354	C	S	.	.	H	α-helix	trans	-66.1	-33.1	178.1	-66.1	0	0	0	0	112.2	N413 I414 R420 K421 L638	N413-C417 WeakPolarHBondContact O-CB 3.37Å; N413-C417 PolarHBondContact O-N 2.73Å; N413-C417 PolarHBondContact O-SG 3.46Å; I414-C417 PolarHBondContact O-N 3.4Å; C417-R420 WeakPolarHBondContact O-CB 3.28Å; C417-R420 PolarHBondContact O-N 3.38Å; C417-K421 PolarHBondContact O-N 3.25Å; C417-L638 HydrophobicContact CB-CD2 3.4Å
418	R	89.1	Confident	86.7	Confident	161 Å²	161	82.5 Å²	82.5	61%	0.608	38%	0.38	S	S	*	.	H	α-helix	trans	-64.1	-42.1	170.1	-170.6	-177.7	-63	168.8	0.5	111.4	I414 W416 R420 K421 S422 L638	I414-R418 VanDerWaalsContact O-CB 3.27Å; I414-R418 WeakPolarHBondContact O-CB 3.36Å; I414-R418 PolarHBondContact O-N 2.92Å; W416-R418 VanDerWaalsContact C-N 3.3Å; W416-R418 PolarHBondContact O-N 2.96Å; R418-R420 VanDerWaalsContact C-N 3.34Å; R418-R420 PolarHBondContact O-N 3.44Å; R418-K421 PolarHBondContact O-N 3.48Å; R418-S422 PolarHBondContact O-N 2.91Å; R418-L638 HydrophobicContact CB-CD1 4.18Å
419	R	88.3	Confident	86.3	Confident	140 Å²	140	77.8 Å²	77.8	53%	0.528	36%	0.361	S	S	.	.	H	α-helix	trans	-59.5	-42.9	173.3	-170.9	102.6	65.6	77	2	111.4	A415 W416 K421 S422 T423	A415-R419 WeakPolarHBondContact O-CB 3.19Å; A415-R419 PolarHBondContact O-N 3.38Å; W416-R419 CarbonylContact O-C 3.55Å; W416-R419 WeakPolarHBondContact O-CA 3.27Å; W416-R419 VanDerWaalsContact O-CB 3.26Å; W416-R419 WeakPolarHBondContact O-CB 3.35Å; W416-R419 PolarHBondContact O-N 3.01Å; W416-R419 VanDerWaalsContact O-N 3.08Å; R419-K421 VanDerWaalsContact C-N 3.33Å; R419-K421 PolarHBondContact O-N 2.89Å; R419-S422 PolarHBondContact O-N 2.99Å; R419-T423 HydrophobicContact CG-CG2 3.87Å; R419-T423 WeakPolarHBondContact O-CB 3.38Å; R419-T423 VanDerWaalsContact O-CG2 3.31Å; R419-T423 WeakPolarHBondContact O-CG2 3.24Å; R419-T423 PolarHBondContact O-N 3.27Å; R419-T423 PolarHBondContact O-OG1 2.83Å
420	R	85.8	Confident	86.1	Confident	20 Å²	20	79.3 Å²	79.3	8%	0.075	37%	0.37	C	S	.	.	H	α-helix	trans	-55.9	-46.7	175.6	-72.3	175.7	165.2	151	1.6	112	W416 C417 R418 G426 E432 F518 F520 G521 L522	W416-R420 VanDerWaalsContact CD1-CZ 3.47Å; W416-R420 PolarHBondContact O-N 3.35Å; C417-R420 WeakPolarHBondContact O-CB 3.28Å; C417-R420 PolarHBondContact O-N 3.38Å; R418-R420 VanDerWaalsContact C-N 3.34Å; R418-R420 PolarHBondContact O-N 3.44Å; R420-G426 WeakPolarHBondContact O-CA 3.42Å; R420-G426 PolarHBondContact O-N 2.96Å; R420-E432 IonicContact CZ-OE1 3.21Å; R420-E432 IonicContact NE-OE1 3.92Å; R420-E432 PolarHBondContact NE-OE1 2.86Å; R420-E432 IonicContact NE-OE2 2.78Å; R420-E432 IonicContact NH2-OE1 3.27Å; R420-E432 PolarHBondContact NH2-OE1 3.42Å; R420-F518 PolarHBondContact NH1-O 3.33Å; R420-F518 PolarHBondContact NH2-O 3.28Å; R420-F520 PolarHBondContact NH1-O 2.96Å; R420-F520 VanDerWaalsContact NH1-O 3.11Å; R420-G521 PolarHBondContact NH1-O 3.06Å; R420-L522 VanDerWaalsContact NH2-CD2 3.31Å
421	K	81.8	Confident	85.9	Confident	80 Å²	80	84 Å²	84	35%	0.348	40%	0.395	S	S	.	.	H	α-helix	trans	-68.2	-37.1	179.7	-67.3	-172.4	-179	-167.6	0	113	C417 R418 R419 L638 N639	C417-K421 PolarHBondContact O-N 3.25Å; R418-K421 PolarHBondContact O-N 3.48Å; R419-K421 VanDerWaalsContact C-N 3.33Å; R419-K421 PolarHBondContact O-N 2.89Å; K421-L638 PolarHBondContact NZ-O 2.83Å; K421-N639 PolarHBondContact NZ-OD1 2.89Å
422	S	80.8	Confident	85.9	Confident	100 Å²	100	78.2 Å²	78.2	70%	0.699	38%	0.375	S	S	*	.	H	α-helix	trans	-83.8	-25.1	-176.4	-177.8	0	0	0	0	114.5	R418 R419	R418-S422 PolarHBondContact O-N 2.91Å; R419-S422 PolarHBondContact O-N 2.99Å
423	T	83.4	Confident	85.8	Confident	49 Å²	49	77 Å²	77	30%	0.301	37%	0.365	S	S	.	.	S	Bend	trans	-101.6	163.8	-171.6	61.5	0	0	0	0	112.6	R419 F425 G426	R419-T423 HydrophobicContact CG-CG2 3.87Å; R419-T423 WeakPolarHBondContact O-CB 3.38Å; R419-T423 VanDerWaalsContact O-CG2 3.31Å; R419-T423 WeakPolarHBondContact O-CG2 3.24Å; R419-T423 PolarHBondContact O-N 3.27Å; R419-T423 PolarHBondContact O-OG1 2.83Å; T423-F425 PolarHBondContact O-N 3.39Å; T423-F425 VanDerWaalsContact O-N 3.09Å; T423-G426 PolarHBondContact O-N 3.43Å
424	R	73.8	Confident	85.8	Confident	209 Å²	209	79.2 Å²	79.2	79%	0.789	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-60.6	-17.6	175.9	-71	-166.9	-74.1	174.5	-3.9	113.6	G426 K427	R424-G426 PolarHBondContact O-N 3.38Å; R424-K427 WeakPolarHBondContact O-CB 3.21Å; R424-K427 PolarHBondContact O-N 2.8Å; R424-K427 VanDerWaalsContact O-N 3.13Å
425	F	67.6	Low	86	Confident	162 Å²	162	83.1 Å²	83.1	71%	0.711	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-60.2	-33.6	176.8	-70.8	-73.3	0	0	0	112.4	T423 K427 Y428	T423-F425 PolarHBondContact O-N 3.39Å; T423-F425 VanDerWaalsContact O-N 3.09Å; F425-K427 PolarHBondContact O-N 3.45Å; F425-K427 VanDerWaalsContact O-N 3.11Å; F425-Y428 PolarHBondContact O-N 3.29Å
426	G	67.3	Low	86.1	Confident	37 Å²	37	81.2 Å²	81.2	38%	0.381	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-62.6	-17.3	176.1	0	0	0	0	0	114.8	R420 T423 R424 Y428	R420-G426 WeakPolarHBondContact O-CA 3.42Å; R420-G426 PolarHBondContact O-N 2.96Å; T423-G426 PolarHBondContact O-N 3.43Å; R424-G426 PolarHBondContact O-N 3.38Å; G426-Y428 VanDerWaalsContact C-N 3.31Å; G426-Y428 PolarHBondContact O-N 3.43Å
427	K	78.6	Confident	86.3	Confident	154 Å²	154	77.9 Å²	77.9	67%	0.67	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-74.2	-20.1	178.1	-62.4	-170.5	177.1	-168	0	113.3	R424 F425 P429	R424-K427 WeakPolarHBondContact O-CB 3.21Å; R424-K427 PolarHBondContact O-N 2.8Å; R424-K427 VanDerWaalsContact O-N 3.13Å; F425-K427 PolarHBondContact O-N 3.45Å; F425-K427 VanDerWaalsContact O-N 3.11Å; K427-P429 VanDerWaalsContact O-CD 3.3Å; K427-P429 WeakPolarHBondContact O-CD 3.17Å
428	Y	88.1	Confident	86.5	Confident	156 Å²	156	78.8 Å²	78.8	61%	0.612	38%	0.375	S	S	*	.			trans	-122.4	64.5	-175.4	-59.4	-79.1	0	0	0	112.2	F425 G426 V430 L431 E432	F425-Y428 PolarHBondContact O-N 3.29Å; G426-Y428 VanDerWaalsContact C-N 3.31Å; G426-Y428 PolarHBondContact O-N 3.43Å; Y428-V430 VanDerWaalsContact C-N 3.27Å; Y428-V430 PolarHBondContact O-N 3.36Å; Y428-L431 PolarHBondContact O-N 3.43Å; Y428-E432 PolarHBondContact O-N 2.97Å; Y428-E432 VanDerWaalsContact O-N 3.16Å
429	P	87.4	Confident	86.8	Confident	19 Å²	19	75.1 Å²	75.1	12%	0.123	37%	0.366	C	S	.	.	H	α-helix	trans	-65	-29	-175.1	26.7	-36	0	0	0	113.7	K232 K427 V433 K523	K232-P429 HydrophobicContact CD-CG 4.48Å; K427-P429 VanDerWaalsContact O-CD 3.3Å; K427-P429 WeakPolarHBondContact O-CD 3.17Å; P429-V433 WeakPolarHBondContact O-CG2 3.33Å; P429-V433 PolarHBondContact O-N 2.79Å; P429-V433 VanDerWaalsContact O-N 3.15Å; P429-K523 HydrophobicContact CB-CB 4.08Å; P429-K523 HydrophobicContact CB-CG 3.82Å
430	V	92	Very high	87.1	Confident	32 Å²	32	68.7 Å²	68.7	19%	0.194	34%	0.342	C	S	.	.	H	α-helix	trans	-67.2	-47.3	177.4	176.3	0	0	0	0	110.6	L225 V228 K232 Y428 E432 V433 I434	L225-V430 HydrophobicContact CD1-CG1 4.04Å; V228-V430 HydrophobicContact CG1-CB 4.22Å; V228-V430 HydrophobicContact CG1-CG1 3.87Å; V228-V430 HydrophobicContact CG1-CG2 4.15Å; V228-V430 HydrophobicContact CG2-CG2 4.09Å; K232-V430 HydrophobicContact CD-CG2 3.92Å; Y428-V430 VanDerWaalsContact C-N 3.27Å; Y428-V430 PolarHBondContact O-N 3.36Å; V430-E432 VanDerWaalsContact C-N 3.29Å; V430-E432 PolarHBondContact O-N 3.46Å; V430-V433 PolarHBondContact O-N 2.81Å; V430-I434 HydrophobicContact CG1-CD1 3.77Å; V430-I434 WeakPolarHBondContact O-CD1 3.27Å; V430-I434 VanDerWaalsContact O-CG1 3.24Å; V430-I434 WeakPolarHBondContact O-CG1 3.4Å; V430-I434 PolarHBondContact O-N 3.2Å; V430-I434 VanDerWaalsContact O-N 3.13Å
431	L	92.1	Very high	87.5	Confident	115 Å²	115	67.9 Å²	67.9	60%	0.602	34%	0.34	S	S	*	.	H	α-helix	trans	-62.9	-39.1	178.5	-177.5	67.4	0	0	0	111.2	Y428 I434 L435	Y428-L431 PolarHBondContact O-N 3.43Å; L431-I434 PolarHBondContact O-N 3.47Å; L431-L435 VanDerWaalsContact O-CB 3.31Å; L431-L435 WeakPolarHBondContact O-CB 3.21Å; L431-L435 PolarHBondContact O-N 2.91Å
432	E	92.1	Very high	88.1	Confident	30 Å²	30	67 Å²	67	14%	0.14	34%	0.342	C	S	.	.	H	α-helix	trans	-61.4	-49.6	177.5	-176.8	178.6	-162.3	0	0	112.2	R420 Y428 V430 I434 L435 V436 L522	R420-E432 IonicContact CZ-OE1 3.21Å; R420-E432 IonicContact NE-OE1 3.92Å; R420-E432 PolarHBondContact NE-OE1 2.86Å; R420-E432 IonicContact NE-OE2 2.78Å; R420-E432 IonicContact NH2-OE1 3.27Å; R420-E432 PolarHBondContact NH2-OE1 3.42Å; Y428-E432 PolarHBondContact O-N 2.97Å; Y428-E432 VanDerWaalsContact O-N 3.16Å; V430-E432 VanDerWaalsContact C-N 3.29Å; V430-E432 PolarHBondContact O-N 3.46Å; E432-I434 VanDerWaalsContact C-N 3.31Å; E432-I434 PolarHBondContact O-N 3.01Å; E432-L435 PolarHBondContact O-N 2.98Å; E432-V436 WeakPolarHBondContact O-CG2 3.39Å; E432-V436 PolarHBondContact O-N 2.93Å; E432-L522 HydrophobicContact CG-CD2 3.81Å
433	V	93.8	Very high	88.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-60.2	-43.7	179.2	172.1	0	0	0	0	110.8	A224 V228 P429 V430 V436 A437 L522 V524	A224-V433 HydrophobicContact CB-CG1 4.21Å; V228-V433 HydrophobicContact CB-CB 4.26Å; V228-V433 HydrophobicContact CB-CG1 4.2Å; V228-V433 HydrophobicContact CB-CG2 4.27Å; V228-V433 HydrophobicContact CG1-CB 4.41Å; V228-V433 HydrophobicContact CG1-CG1 4.42Å; V228-V433 HydrophobicContact CG2-CB 4.3Å; V228-V433 HydrophobicContact CG2-CG2 3.92Å; P429-V433 WeakPolarHBondContact O-CG2 3.33Å; P429-V433 PolarHBondContact O-N 2.79Å; P429-V433 VanDerWaalsContact O-N 3.15Å; V430-V433 PolarHBondContact O-N 2.81Å; V433-V436 PolarHBondContact O-N 3.47Å; V433-A437 VanDerWaalsContact O-CB 3.26Å; V433-A437 WeakPolarHBondContact O-CB 3.28Å; V433-A437 PolarHBondContact O-N 2.86Å; V433-L522 HydrophobicContact CG2-CB 4.16Å; V433-L522 HydrophobicContact CG2-CD1 4.48Å; V433-L522 HydrophobicContact CG2-CD2 4.09Å; V433-L522 HydrophobicContact CG2-CG 4.49Å; V433-V524 HydrophobicContact CG1-CG1 3.96Å; V433-V524 HydrophobicContact CG2-CG1 4.08Å
434	I	95.2	Very high	89	Confident	46 Å²	46	63.5 Å²	63.5	24%	0.236	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-42.8	177.9	-65.3	165.5	0	0	0	110.8	L221 L225 V430 L431 E432 A437 A438	L221-I434 HydrophobicContact CD2-CG2 4.13Å; L221-I434 WeakPolarHBondContact CD2-O 3.4Å; L225-I434 HydrophobicContact CB-CD1 4.45Å; L225-I434 HydrophobicContact CB-CG1 4.43Å; L225-I434 HydrophobicContact CD1-CD1 3.59Å; L225-I434 HydrophobicContact CD1-CG1 4.39Å; V430-I434 HydrophobicContact CG1-CD1 3.77Å; V430-I434 WeakPolarHBondContact O-CD1 3.27Å; V430-I434 VanDerWaalsContact O-CG1 3.24Å; V430-I434 WeakPolarHBondContact O-CG1 3.4Å; V430-I434 PolarHBondContact O-N 3.2Å; V430-I434 VanDerWaalsContact O-N 3.13Å; L431-I434 PolarHBondContact O-N 3.47Å; E432-I434 VanDerWaalsContact C-N 3.31Å; E432-I434 PolarHBondContact O-N 3.01Å; I434-A437 PolarHBondContact O-N 2.87Å; I434-A438 WeakPolarHBondContact O-CB 3.47Å; I434-A438 PolarHBondContact O-N 2.89Å
435	L	94.4	Very high	89.7	Confident	102 Å²	102	54 Å²	54	53%	0.534	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-46.1	179	-177.4	69.6	0	0	0	111.4	L431 E432 A438 I439	L431-L435 VanDerWaalsContact O-CB 3.31Å; L431-L435 WeakPolarHBondContact O-CB 3.21Å; L431-L435 PolarHBondContact O-N 2.91Å; E432-L435 PolarHBondContact O-N 2.98Å; L435-A438 WeakPolarHBondContact O-CB 3.44Å; L435-A438 PolarHBondContact O-N 3.41Å; L435-I439 HydrophobicContact CD1-CD1 4.34Å; L435-I439 HydrophobicContact CG-CD1 4.08Å; L435-I439 VanDerWaalsContact O-CG1 3.3Å; L435-I439 WeakPolarHBondContact O-CG1 3.3Å; L435-I439 PolarHBondContact O-N 2.92Å
436	V	94.7	Very high	90.8	Very high	16 Å²	16	50 Å²	50	10%	0.097	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-42	177.4	177.3	0	0	0	0	110.5	L279 E432 V433 A438 I439 T440 L522	L279-V436 HydrophobicContact CD2-CG1 3.97Å; E432-V436 WeakPolarHBondContact O-CG2 3.39Å; E432-V436 PolarHBondContact O-N 2.93Å; V433-V436 PolarHBondContact O-N 3.47Å; V436-A438 PolarHBondContact O-N 2.92Å; V436-I439 PolarHBondContact O-N 2.94Å; V436-T440 WeakPolarHBondContact O-CB 2.99Å; V436-T440 PolarHBondContact O-N 3.49Å; V436-T440 PolarHBondContact O-OG1 3.43Å; V436-L522 HydrophobicContact CB-CD1 4.22Å; V436-L522 HydrophobicContact CG1-CD1 4.09Å; V436-L522 HydrophobicContact CG2-CD2 4.32Å
437	A	95.3	Very high	91.9	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-40.7	175	0	0	0	0	0	112.2	L221 A224 L279 V433 I434 T440 A441	L221-A437 HydrophobicContact CD2-CB 4.08Å; A224-A437 HydrophobicContact CB-CB 3.62Å; L279-A437 HydrophobicContact CD2-CB 4.01Å; L279-A437 HydrophobicContact CG-CB 4.41Å; V433-A437 VanDerWaalsContact O-CB 3.26Å; V433-A437 WeakPolarHBondContact O-CB 3.28Å; V433-A437 PolarHBondContact O-N 2.86Å; I434-A437 PolarHBondContact O-N 2.87Å; A437-T440 PolarHBondContact O-N 3.15Å; A437-A441 WeakPolarHBondContact O-CB 3.24Å; A437-A441 PolarHBondContact O-N 3.07Å
438	A	95.6	Very high	92.2	Very high	26 Å²	26	44 Å²	44	22%	0.215	24%	0.239	C	C	.	.	H	α-helix	trans	-60.7	-51.6	176.3	0	0	0	0	0	111.3	L221 I434 L435 V436 T440 A441 V442	L221-A438 HydrophobicContact CD2-CB 3.8Å; I434-A438 WeakPolarHBondContact O-CB 3.47Å; I434-A438 PolarHBondContact O-N 2.89Å; L435-A438 WeakPolarHBondContact O-CB 3.44Å; L435-A438 PolarHBondContact O-N 3.41Å; V436-A438 PolarHBondContact O-N 2.92Å; A438-T440 VanDerWaalsContact C-N 3.27Å; A438-T440 PolarHBondContact O-N 3.17Å; A438-A441 PolarHBondContact O-N 3.49Å; A438-V442 WeakPolarHBondContact O-CB 3.19Å; A438-V442 WeakPolarHBondContact O-CG2 3.5Å; A438-V442 PolarHBondContact O-N 3.16Å
439	I	95.1	Very high	92.1	Very high	83 Å²	83	36.9 Å²	36.9	43%	0.426	21%	0.211	S	C	.	.	H	α-helix	trans	-61.7	-40.8	178.9	-62.8	166.7	0	0	0	109.8	L435 V436 V443 M515	L435-I439 HydrophobicContact CD1-CD1 4.34Å; L435-I439 HydrophobicContact CG-CD1 4.08Å; L435-I439 VanDerWaalsContact O-CG1 3.3Å; L435-I439 WeakPolarHBondContact O-CG1 3.3Å; L435-I439 PolarHBondContact O-N 2.92Å; V436-I439 PolarHBondContact O-N 2.94Å; I439-V443 HydrophobicContact CG2-CG2 4.38Å; I439-V443 WeakPolarHBondContact O-CB 3.3Å; I439-V443 VanDerWaalsContact O-CG2 3.31Å; I439-V443 WeakPolarHBondContact O-CG2 3.32Å; I439-V443 PolarHBondContact O-N 3.33Å; I439-V443 VanDerWaalsContact O-N 3.08Å; I439-M515 HydrophobicContact CB-CE 4.1Å; I439-M515 HydrophobicContact CG2-CE 3.64Å; I439-M515 HydrophobicContact CG2-SD 4.47Å
440	T	94.4	Very high	92.1	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-51.4	177.7	-49.8	0	0	0	0	110.9	G278 V436 A437 A438 V442 V443 A444 F511 M515	G278-T440 WeakPolarHBondContact O-CG2 3.47Å; V436-T440 WeakPolarHBondContact O-CB 2.99Å; V436-T440 PolarHBondContact O-N 3.49Å; V436-T440 PolarHBondContact O-OG1 3.43Å; A437-T440 PolarHBondContact O-N 3.15Å; A438-T440 VanDerWaalsContact C-N 3.27Å; A438-T440 PolarHBondContact O-N 3.17Å; T440-V442 PolarHBondContact O-N 3.44Å; T440-V443 PolarHBondContact O-N 2.85Å; T440-A444 WeakPolarHBondContact O-CB 3.36Å; T440-A444 PolarHBondContact O-N 2.93Å; T440-F511 HydrophobicContact CG2-CZ 4.12Å; T440-M515 HydrophobicContact CG2-CE 4.22Å; T440-M515 VanDerWaalsContact N-CE 3.29Å; T440-M515 WeakPolarHBondContact OG1-CE 3.43Å
441	A	93.8	Very high	91.9	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-40.1	-177.4	0	0	0	0	0	112.9	Y216 I217 A220 A437 A438 F445	Y216-A441 HydrophobicContact CD1-CB 4.13Å; Y216-A441 HydrophobicContact CE1-CB 4.05Å; I217-A441 HydrophobicContact CB-CB 4.48Å; I217-A441 HydrophobicContact CG1-CB 4Å; A220-A441 HydrophobicContact CB-CB 3.89Å; A437-A441 WeakPolarHBondContact O-CB 3.24Å; A437-A441 PolarHBondContact O-N 3.07Å; A438-A441 PolarHBondContact O-N 3.49Å; A441-F445 PolarHBondContact O-N 3.41Å
442	V	94.3	Very high	91.4	Very high	63 Å²	63	35.5 Å²	35.5	38%	0.382	20%	0.195	S	C	.	.	H	α-helix	trans	-62.4	-45.5	178.3	166.6	0	0	0	0	111	Y213 I217 A438 T440 P446	Y213-V442 WeakPolarHBondContact OH-CA 2.98Å; Y213-V442 WeakPolarHBondContact OH-CG1 3.28Å; Y213-V442 PolarHBondContact OH-O 2.95Å; I217-V442 HydrophobicContact CD1-CG2 3.75Å; I217-V442 HydrophobicContact CG1-CG2 4.33Å; A438-V442 WeakPolarHBondContact O-CB 3.19Å; A438-V442 WeakPolarHBondContact O-CG2 3.5Å; A438-V442 PolarHBondContact O-N 3.16Å; T440-V442 PolarHBondContact O-N 3.44Å; V442-P446 WeakPolarHBondContact O-CD 3.12Å
443	V	92.1	Very high	91.1	Very high	72 Å²	72	35.2 Å²	35.2	44%	0.436	20%	0.195	S	C	.	.	H	α-helix	trans	-85.6	-26.3	-175.1	-179	0	0	0	0	112.5	I439 T440 P446 F511	I439-V443 HydrophobicContact CG2-CG2 4.38Å; I439-V443 WeakPolarHBondContact O-CB 3.3Å; I439-V443 VanDerWaalsContact O-CG2 3.31Å; I439-V443 WeakPolarHBondContact O-CG2 3.32Å; I439-V443 PolarHBondContact O-N 3.33Å; I439-V443 VanDerWaalsContact O-N 3.08Å; T440-V443 PolarHBondContact O-N 2.85Å; V443-P446 WeakPolarHBondContact O-CD 3.46Å; V443-F511 HydrophobicContact CB-CD2 4.15Å; V443-F511 HydrophobicContact CB-CE2 3.5Å; V443-F511 VanDerWaalsContact CB-CE2 3.5Å; V443-F511 HydrophobicContact CB-CZ 4.11Å; V443-F511 HydrophobicContact CG1-CD2 3.42Å; V443-F511 VanDerWaalsContact CG1-CD2 3.42Å; V443-F511 HydrophobicContact CG1-CE2 3.31Å; V443-F511 HydrophobicContact CG1-CG 4.36Å; V443-F511 HydrophobicContact CG1-CZ 4.17Å; V443-F511 HydrophobicContact CG2-CE2 4.47Å
444	A	90.8	Very high	90.8	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-75.8	-32.8	-179.2	0	0	0	0	0	113.5	T440 T450 R451 F511	T440-A444 WeakPolarHBondContact O-CB 3.36Å; T440-A444 PolarHBondContact O-N 2.93Å; A444-T450 WeakPolarHBondContact CA-OG1 3.33Å; A444-T450 PolarHBondContact O-OG1 3.45Å; A444-R451 PolarHBondContact O-N 2.85Å; A444-F511 HydrophobicContact CB-CE1 4.09Å; A444-F511 HydrophobicContact CB-CZ 4.16Å
445	F	89.8	Confident	90.3	Very high	10 Å²	10	34.3 Å²	34.3	4%	0.044	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-39.6	-173.9	-171.9	-92.3	0	0	0	115.2	Y209 N212 Y213 Y216 A441 N447 R451	Y209-F445 HydrophobicContact CD2-CE1 4.12Å; Y209-F445 HydrophobicContact CE1-CE1 4.15Å; Y209-F445 HydrophobicContact CE2-CD1 4.3Å; Y209-F445 AromaticContact CE2-CE1 3.61Å; Y209-F445 HydrophobicContact CE2-CE1 3.61Å; Y209-F445 AromaticContact CZ-CD1 3.97Å; Y209-F445 AromaticContact CZ-CE1 3.62Å; N212-F445 HydrophobicContact CB-CE2 4.42Å; N212-F445 HydrophobicContact CB-CZ 3.94Å; Y213-F445 HydrophobicContact CD2-CB 3.48Å; Y213-F445 VanDerWaalsContact CD2-CB 3.48Å; Y213-F445 AromaticContact CD2-CD1 3.31Å; Y213-F445 HydrophobicContact CD2-CD1 3.31Å; Y213-F445 HydrophobicContact CD2-CD2 4.02Å; Y213-F445 AromaticContact CD2-CE1 4Å; Y213-F445 HydrophobicContact CD2-CE1 4Å; Y213-F445 AromaticContact CD2-CG 3.33Å; Y213-F445 HydrophobicContact CD2-CG 3.33Å; Y213-F445 HydrophobicContact CE2-CB 3.46Å; Y213-F445 VanDerWaalsContact CE2-CB 3.46Å; Y213-F445 AromaticContact CE2-CD1 3.96Å; Y213-F445 HydrophobicContact CE2-CD1 3.96Å; Y213-F445 AromaticContact CE2-CG 3.87Å; Y213-F445 HydrophobicContact CE2-CG 3.87Å; Y213-F445 AromaticContact CG-CD1 3.69Å; Y213-F445 HydrophobicContact CG-CD1 3.69Å; Y213-F445 AromaticContact CG-CE1 3.98Å; Y213-F445 HydrophobicContact CG-CE1 3.98Å; Y213-F445 HydrophobicContact CG-CG 4.15Å; Y216-F445 HydrophobicContact CD1-CB 4.41Å; Y216-F445 HydrophobicContact CD1-CD2 4.01Å; Y216-F445 HydrophobicContact CD2-CD2 4.02Å; Y216-F445 HydrophobicContact CD2-CE2 4.42Å; Y216-F445 AromaticContact CG-CD2 3.65Å; Y216-F445 HydrophobicContact CG-CD2 3.65Å; Y216-F445 HydrophobicContact CG-CE2 4.21Å; A441-F445 PolarHBondContact O-N 3.41Å; F445-N447 VanDerWaalsContact C-N 3.29Å; F445-N447 PolarHBondContact O-N 3.05Å; F445-R451 HydrophobicContact CD2-CG 4.41Å
446	P	90.4	Very high	89.7	Confident	78 Å²	78	33.4 Å²	33.4	51%	0.506	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.2	-178.7	-25.1	36.1	0	0	0	114.9	V442 V443	V442-P446 WeakPolarHBondContact O-CD 3.12Å; V443-P446 WeakPolarHBondContact O-CD 3.46Å
447	N	89.3	Confident	89.4	Confident	20 Å²	20	32.7 Å²	32.7	11%	0.107	18%	0.181	C	C	.	.	S	Bend	trans	-105.3	120.5	-179.4	173.9	8.1	0	0	0	110	F445 Y449 T450 R451 Q504	F445-N447 VanDerWaalsContact C-N 3.29Å; F445-N447 PolarHBondContact O-N 3.05Å; N447-Y449 VanDerWaalsContact C-N 3.34Å; N447-Y449 PolarHBondContact O-N 2.75Å; N447-Y449 PolarHBondContact OD1-N 2.86Å; N447-T450 HydrophobicContact CB-CG2 4.45Å; N447-T450 VanDerWaalsContact CB-OG1 3.27Å; N447-T450 WeakPolarHBondContact CB-OG1 3.49Å; N447-T450 PolarHBondContact O-N 3.42Å; N447-T450 VanDerWaalsContact O-N 3.14Å; N447-T450 PolarHBondContact O-OG1 3.47Å; N447-R451 PolarHBondContact O-N 3.41Å; N447-R451 VanDerWaalsContact O-N 3.08Å; N447-Q504 PolarHBondContact ND2-O 3.01Å
448	P	85.5	Confident	89.1	Confident	45 Å²	45	32.7 Å²	32.7	29%	0.292	18%	0.18	S	C	.	.	H	α-helix	trans	-57.9	-42.3	-174.5	22.5	-33.8	0	0	0	113	T450 R451 Q452	P448-T450 VanDerWaalsContact C-N 3.3Å; P448-T450 PolarHBondContact O-N 2.95Å; P448-R451 PolarHBondContact O-N 2.94Å; P448-Q452 PolarHBondContact O-N 3.38Å
449	Y	86.8	Confident	88.6	Confident	6 Å²	6	35.3 Å²	35.3	2%	0.024	19%	0.187	C	C	.	.	H	α-helix	trans	-67.9	-27.7	-179.6	-60.9	-65.1	0	0	0	113.4	N447 L457 L473 A501 Q504 L505	N447-Y449 VanDerWaalsContact C-N 3.34Å; N447-Y449 PolarHBondContact O-N 2.75Å; N447-Y449 PolarHBondContact OD1-N 2.86Å; Y449-L457 HydrophobicContact CD1-CD1 3.86Å; Y449-L457 HydrophobicContact CG-CD1 4.39Å; Y449-L457 WeakPolarHBondContact O-CD2 3.44Å; Y449-L473 HydrophobicContact CE1-CD1 4.08Å; Y449-L473 HydrophobicContact CE1-CG 4.47Å; Y449-A501 HydrophobicContact CE2-CB 4.42Å; Y449-A501 WeakPolarHBondContact OH-CB 3.38Å; Y449-Q504 HydrophobicContact CD2-CB 3.74Å; Y449-Q504 HydrophobicContact CE2-CB 3.81Å; Y449-L505 HydrophobicContact CD1-CD2 4.06Å; Y449-L505 HydrophobicContact CD2-CD2 3.95Å; Y449-L505 HydrophobicContact CD2-CG 4.24Å; Y449-L505 HydrophobicContact CE1-CD2 4.41Å; Y449-L505 HydrophobicContact CE2-CD2 4.31Å; Y449-L505 HydrophobicContact CE2-CG 4.23Å; Y449-L505 HydrophobicContact CG-CD2 3.82Å
450	T	86.7	Confident	88.1	Confident	8 Å²	8	33.1 Å²	33.1	5%	0.049	18%	0.175	C	C	.	.	H	α-helix	trans	-83.6	-24.1	175.2	52	0	0	0	0	112.9	A444 N447 P448 A508 F511	A444-T450 WeakPolarHBondContact CA-OG1 3.33Å; A444-T450 PolarHBondContact O-OG1 3.45Å; N447-T450 HydrophobicContact CB-CG2 4.45Å; N447-T450 VanDerWaalsContact CB-OG1 3.27Å; N447-T450 WeakPolarHBondContact CB-OG1 3.49Å; N447-T450 PolarHBondContact O-N 3.42Å; N447-T450 VanDerWaalsContact O-N 3.14Å; N447-T450 PolarHBondContact O-OG1 3.47Å; P448-T450 VanDerWaalsContact C-N 3.3Å; P448-T450 PolarHBondContact O-N 2.95Å; T450-A508 HydrophobicContact CG2-CB 3.54Å; T450-F511 HydrophobicContact CG2-CB 4.44Å; T450-F511 HydrophobicContact CG2-CD1 3.6Å; T450-F511 HydrophobicContact CG2-CE1 4.26Å; T450-F511 HydrophobicContact CG2-CG 4.34Å
451	R	87.3	Confident	87.8	Confident	82 Å²	82	33 Å²	33	31%	0.309	17%	0.174	S	C	.	.	H	α-helix	trans	-74.5	-39.2	-179.9	-170.3	179.9	74.8	-161.5	-4.2	112.3	E160 Y216 A444 F445 N447 P448	E160-R451 IonicContact OE1-CZ 2.89Å; E160-R451 IonicContact OE1-NE 3.01Å; E160-R451 PolarHBondContact OE1-NE 3.24Å; E160-R451 VanDerWaalsContact OE1-NE 3.14Å; Y216-R451 HydrophobicContact CD2-CG 4.41Å; Y216-R451 HydrophobicContact CE2-CG 3.75Å; Y216-R451 PolarHBondContact OH-O 3.23Å; A444-R451 PolarHBondContact O-N 2.85Å; F445-R451 HydrophobicContact CD2-CG 4.41Å; N447-R451 PolarHBondContact O-N 3.41Å; N447-R451 VanDerWaalsContact O-N 3.08Å; P448-R451 PolarHBondContact O-N 2.94Å
452	Q	82.8	Confident	87.5	Confident	48 Å²	48	33.3 Å²	33.3	22%	0.224	18%	0.175	C	C	.	.	S	Bend	trans	-58.5	156.5	178.2	-77.4	173.6	-27	0	0	112.7	P448 E460	P448-Q452 PolarHBondContact O-N 3.38Å; Q452-E460 PolarHBondContact NE2-OE2 3.42Å; Q452-E460 PolarHBondContact OE1-OE2 2.75Å
453	N	85	Confident	86.8	Confident	23 Å²	23	31.9 Å²	31.9	12%	0.123	17%	0.166	C	C	.	.			trans	-61.3	142.4	171.9	-168.5	6.3	0	0	0	110	S455 E456 L457	N453-S455 VanDerWaalsContact C-N 3.3Å; N453-S455 PolarHBondContact ND2-OG 3.24Å; N453-S455 PolarHBondContact O-N 3.19Å; N453-E456 HydrophobicContact CB-CB 4.18Å; N453-E456 PolarHBondContact O-N 3.09Å; N453-L457 WeakPolarHBondContact O-CB 3.47Å; N453-L457 PolarHBondContact O-N 3.2Å
454	T	87.3	Confident	85.9	Confident	9 Å²	9	31 Å²	31	6%	0.055	16%	0.159	C	C	.	.	H	α-helix	trans	-69.6	-29.6	-172.8	-54.7	0	0	0	0	112	I458 K512 I530 A534	T454-I458 VanDerWaalsContact O-CG1 3.29Å; T454-I458 WeakPolarHBondContact O-CG1 3.3Å; T454-I458 PolarHBondContact O-N 2.96Å; T454-K512 PolarHBondContact OG1-NZ 2.99Å; T454-I530 HydrophobicContact CG2-CG2 3.63Å; T454-A534 HydrophobicContact CG2-CB 3.39Å
455	S	85.1	Confident	85	Confident	18 Å²	18	31.3 Å²	31.3	13%	0.126	16%	0.161	C	C	.	.	H	α-helix	trans	-65.7	-51.4	170.7	40.8	0	0	0	0	111.3	F379 N453 L457 I458 K459	F379-S455 WeakPolarHBondContact CE1-O 3.46Å; N453-S455 VanDerWaalsContact C-N 3.3Å; N453-S455 PolarHBondContact ND2-OG 3.24Å; N453-S455 PolarHBondContact O-N 3.19Å; S455-L457 VanDerWaalsContact C-N 3.28Å; S455-L457 PolarHBondContact O-N 2.02Å; S455-I458 WeakPolarHBondContact O-CB 3.41Å; S455-I458 PolarHBondContact O-N 3.41Å; S455-K459 PolarHBondContact O-N 3.19Å
456	E	82.6	Confident	83.6	Confident	83 Å²	83	32 Å²	32	39%	0.388	17%	0.171	S	C	.	.	H	α-helix	trans	-57.9	-41.1	179	-169.3	175.2	-168	0	0	112.1	N453 I458 K459 E460	N453-E456 HydrophobicContact CB-CB 4.18Å; N453-E456 PolarHBondContact O-N 3.09Å; E456-I458 VanDerWaalsContact C-N 3.34Å; E456-I458 PolarHBondContact O-N 3.37Å; E456-K459 WeakPolarHBondContact O-CB 3.03Å; E456-K459 PolarHBondContact O-N 3.05Å; E456-K459 VanDerWaalsContact O-N 3.13Å; E456-E460 PolarHBondContact O-N 2.92Å
457	L	87.6	Confident	81.6	Confident	1 Å²	1	33 Å²	33	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-58	-43.6	172.4	178.3	65.7	0	0	0	112.4	Y449 N453 S455 K459 E460 L461 I538	Y449-L457 HydrophobicContact CD1-CD1 3.86Å; Y449-L457 HydrophobicContact CG-CD1 4.39Å; Y449-L457 WeakPolarHBondContact O-CD2 3.44Å; N453-L457 WeakPolarHBondContact O-CB 3.47Å; N453-L457 PolarHBondContact O-N 3.2Å; S455-L457 VanDerWaalsContact C-N 3.28Å; S455-L457 PolarHBondContact O-N 2.02Å; L457-K459 VanDerWaalsContact C-N 3.32Å; L457-K459 PolarHBondContact O-N 3.47Å; L457-E460 PolarHBondContact O-N 3.39Å; L457-L461 HydrophobicContact CD1-CD1 4.17Å; L457-L461 HydrophobicContact CD1-CG 4.34Å; L457-L461 HydrophobicContact CG-CD1 3.89Å; L457-L461 HydrophobicContact CG-CG 4.48Å; L457-L461 WeakPolarHBondContact O-CB 3.41Å; L457-L461 WeakPolarHBondContact O-CD1 3.44Å; L457-L461 WeakPolarHBondContact O-CG 3.06Å; L457-L461 PolarHBondContact O-N 3.07Å; L457-I538 HydrophobicContact CD2-CD1 4.17Å
458	I	89.6	Confident	79.7	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-40.5	177	-68.7	165.8	0	0	0	110.6	F379 T454 S455 E456 L461 F462 I530 M533 A534	F379-I458 HydrophobicContact CD1-CG2 4.18Å; F379-I458 HydrophobicContact CD2-CG2 4.38Å; F379-I458 HydrophobicContact CE1-CB 4.06Å; F379-I458 HydrophobicContact CE1-CG2 4.08Å; F379-I458 HydrophobicContact CE2-CG2 4.25Å; F379-I458 HydrophobicContact CG-CG2 4.34Å; F379-I458 HydrophobicContact CZ-CB 4.12Å; F379-I458 HydrophobicContact CZ-CG2 4.09Å; T454-I458 VanDerWaalsContact O-CG1 3.29Å; T454-I458 WeakPolarHBondContact O-CG1 3.3Å; T454-I458 PolarHBondContact O-N 2.96Å; S455-I458 WeakPolarHBondContact O-CB 3.41Å; S455-I458 PolarHBondContact O-N 3.41Å; E456-I458 VanDerWaalsContact C-N 3.34Å; E456-I458 PolarHBondContact O-N 3.37Å; I458-L461 PolarHBondContact O-N 3.32Å; I458-F462 HydrophobicContact CG2-CD1 4.24Å; I458-F462 HydrophobicContact CG2-CD2 3.92Å; I458-F462 HydrophobicContact CG2-CE1 3.86Å; I458-F462 HydrophobicContact CG2-CE2 3.49Å; I458-F462 VanDerWaalsContact CG2-CE2 3.49Å; I458-F462 HydrophobicContact CG2-CG 4.28Å; I458-F462 HydrophobicContact CG2-CZ 3.46Å; I458-F462 VanDerWaalsContact CG2-CZ 3.46Å; I458-F462 WeakPolarHBondContact O-CG 3.01Å; I458-F462 PolarHBondContact O-N 3.22Å; I458-I530 HydrophobicContact CD1-CG2 4.01Å; I458-M533 HydrophobicContact CD1-CB 4.02Å; I458-A534 HydrophobicContact CD1-CB 4.06Å; I458-A534 HydrophobicContact CG1-CB 4Å
459	K	85.4	Confident	78.2	Confident	82 Å²	82	40.8 Å²	40.8	36%	0.357	21%	0.214	S	C	.	.	H	α-helix	trans	-58.4	-49.7	176	-173.5	-174.1	171	-166.8	0	110.4	F379 S455 E456 L457 L461 F462 T463	F379-K459 HydrophobicContact CD1-CB 3.82Å; F379-K459 HydrophobicContact CD1-CG 4.47Å; F379-K459 HydrophobicContact CE1-CB 4.07Å; S455-K459 PolarHBondContact O-N 3.19Å; E456-K459 WeakPolarHBondContact O-CB 3.03Å; E456-K459 PolarHBondContact O-N 3.05Å; E456-K459 VanDerWaalsContact O-N 3.13Å; L457-K459 VanDerWaalsContact C-N 3.32Å; L457-K459 PolarHBondContact O-N 3.47Å; K459-L461 VanDerWaalsContact C-N 3.29Å; K459-L461 PolarHBondContact O-N 2.98Å; K459-F462 PolarHBondContact O-N 3.4Å; K459-T463 WeakPolarHBondContact O-CG2 3.38Å; K459-T463 PolarHBondContact O-N 3.37Å; K459-T463 VanDerWaalsContact O-N 3.08Å; K459-T463 PolarHBondContact O-OG1 3.43Å
460	E	84.2	Confident	76.5	Confident	37 Å²	37	44.8 Å²	44.8	17%	0.173	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-32.4	177.6	-168.5	179.2	163.5	0	0	112.7	Q452 E456 L457 T463 L473	Q452-E460 PolarHBondContact NE2-OE2 3.42Å; Q452-E460 PolarHBondContact OE1-OE2 2.75Å; E456-E460 PolarHBondContact O-N 2.92Å; L457-E460 PolarHBondContact O-N 3.39Å; E460-T463 PolarHBondContact O-OG1 2.9Å; E460-T463 VanDerWaalsContact O-OG1 3.11Å; E460-L473 HydrophobicContact CG-CD1 4.37Å
461	L	87.4	Confident	75.4	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-75.4	-28.2	177	-70.9	166.1	0	0	0	113.3	L457 I458 K459 L505 A537 I538 R541 A577	L457-L461 HydrophobicContact CD1-CD1 4.17Å; L457-L461 HydrophobicContact CD1-CG 4.34Å; L457-L461 HydrophobicContact CG-CD1 3.89Å; L457-L461 HydrophobicContact CG-CG 4.48Å; L457-L461 WeakPolarHBondContact O-CB 3.41Å; L457-L461 WeakPolarHBondContact O-CD1 3.44Å; L457-L461 WeakPolarHBondContact O-CG 3.06Å; L457-L461 PolarHBondContact O-N 3.07Å; I458-L461 PolarHBondContact O-N 3.32Å; K459-L461 VanDerWaalsContact C-N 3.29Å; K459-L461 PolarHBondContact O-N 2.98Å; L461-L505 HydrophobicContact CD2-CD1 4.32Å; L461-L505 HydrophobicContact CD2-CD2 4.18Å; L461-A537 HydrophobicContact CB-CB 4.3Å; L461-A537 HydrophobicContact CD1-CB 3.75Å; L461-I538 HydrophobicContact CD1-CG1 3.66Å; L461-R541 HydrophobicContact CD2-CB 3.76Å; L461-R541 HydrophobicContact CD2-CG 3.81Å; L461-R541 PolarHBondContact O-NH1 3.11Å; L461-A577 HydrophobicContact CB-CB 4.42Å; L461-A577 WeakPolarHBondContact O-CB 3.39Å
462	F	87.4	Confident	74.3	Confident	11 Å²	11	45.7 Å²	45.7	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-84.6	-29.1	179	-69.5	-2	0	0	0	112.1	F379 V381 Y383 I458 K459 A537 A577 M578 A581	F379-F462 HydrophobicContact CB-CD2 4.02Å; F379-F462 HydrophobicContact CB-CE2 4.34Å; F379-F462 HydrophobicContact CG-CD2 4.47Å; V381-F462 HydrophobicContact CG2-CB 3.84Å; Y383-F462 PolarHBondContact OH-O 3.26Å; I458-F462 HydrophobicContact CG2-CD1 4.24Å; I458-F462 HydrophobicContact CG2-CD2 3.92Å; I458-F462 HydrophobicContact CG2-CE1 3.86Å; I458-F462 HydrophobicContact CG2-CE2 3.49Å; I458-F462 VanDerWaalsContact CG2-CE2 3.49Å; I458-F462 HydrophobicContact CG2-CG 4.28Å; I458-F462 HydrophobicContact CG2-CZ 3.46Å; I458-F462 VanDerWaalsContact CG2-CZ 3.46Å; I458-F462 WeakPolarHBondContact O-CG 3.01Å; I458-F462 PolarHBondContact O-N 3.22Å; K459-F462 PolarHBondContact O-N 3.4Å; F462-A537 HydrophobicContact CE1-CB 3.85Å; F462-A577 HydrophobicContact CD1-CB 3.88Å; F462-A577 HydrophobicContact CE1-CB 4.17Å; F462-M578 HydrophobicContact CB-CG 4.41Å; F462-M578 HydrophobicContact CD1-CG 3.64Å; F462-M578 HydrophobicContact CD2-CG 3.78Å; F462-M578 HydrophobicContact CD2-SD 4.31Å; F462-M578 HydrophobicContact CE1-CB 4.28Å; F462-M578 HydrophobicContact CE1-CG 3.71Å; F462-M578 HydrophobicContact CE2-CG 3.85Å; F462-M578 HydrophobicContact CG-CG 3.69Å; F462-M578 HydrophobicContact CZ-CB 4.39Å; F462-M578 HydrophobicContact CZ-CG 3.82Å; F462-A581 HydrophobicContact CE1-CB 4.04Å; F462-A581 HydrophobicContact CZ-CB 3.81Å
463	T	80.3	Confident	73.6	Confident	33 Å²	33	43.5 Å²	43.5	20%	0.202	24%	0.242	C	C	.	.	S	Bend	trans	-67.1	143.1	-179.5	48.8	0	0	0	0	112.5	V381 K459 E460 R541	V381-T463 HydrophobicContact CG2-CG2 4.25Å; K459-T463 WeakPolarHBondContact O-CG2 3.38Å; K459-T463 PolarHBondContact O-N 3.37Å; K459-T463 VanDerWaalsContact O-N 3.08Å; K459-T463 PolarHBondContact O-OG1 3.43Å; E460-T463 PolarHBondContact O-OG1 2.9Å; E460-T463 VanDerWaalsContact O-OG1 3.11Å; T463-R541 PolarHBondContact O-NH1 3.47Å; T463-R541 PolarHBondContact O-NH2 3.48Å
464	D	73.7	Confident	72.7	Confident	54 Å²	54	42.6 Å²	42.6	29%	0.289	24%	0.237	S	C	.	.			trans	-88.1	155.3	171.5	-67.5	-27.4	0	0	0	110.7	Y383 G466 T572	Y383-D464 WeakPolarHBondContact CD1-OD2 3.4Å; Y383-D464 WeakPolarHBondContact CE1-OD2 3.49Å; D464-G466 PolarHBondContact O-N 2.89Å; D464-G466 VanDerWaalsContact O-N 3.07Å; D464-T572 WeakPolarHBondContact OD1-CG2 3.45Å; D464-T572 VanDerWaalsContact OD2-CG2 3.27Å; D464-T572 WeakPolarHBondContact OD2-CG2 3.15Å
465	C	70.3	Confident	71.5	Confident	8 Å²	8	46 Å²	46	5%	0.054	25%	0.253	C	S	.	.			trans	-74.2	99.7	-175.6	-65.8	0	0	0	0	112.2	C474 Y476 R477	C465-C474 WeakPolarHBondContact CA-SG 3.39Å; C465-C474 HydrophobicContact CB-CB 3.5Å; C465-C474 VanDerWaalsContact CB-CB 3.5Å; C465-C474 WeakPolarHBondContact CB-SG 3.09Å; C465-C474 WeakPolarHBondContact SG-CA 3.28Å; C465-C474 WeakPolarHBondContact SG-CB 3.4Å; C465-C474 CovalentContact SG-SG 2.02Å; C465-C474 PolarHBondContact SG-SG 3.15Å; C465-Y476 HydrophobicContact CB-CE1 4.44Å; C465-Y476 PolarHBondContact SG-OH 3.4Å; C465-Y476 VanDerWaalsContact SG-OH 3.39Å; C465-R477 PolarHBondContact O-NH1 2.78Å
466	G	60.9	Low	70.3	Confident	25 Å²	25	46.1 Å²	46.1	26%	0.258	25%	0.251	S	S	.	.			trans	-79	163.7	174.1	0	0	0	0	0	114.1	D464 L468 E469	D464-G466 PolarHBondContact O-N 2.89Å; D464-G466 VanDerWaalsContact O-N 3.07Å; G466-L468 PolarHBondContact O-N 3.31Å; G466-L468 VanDerWaalsContact O-N 3.1Å; G466-E469 PolarHBondContact O-N 3.1Å
467	P	48.6	Very low	68.8	Low	99 Å²	99	45.7 Å²	45.7	64%	0.643	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-6.9	-178.8	27.6	-35.3	0	0	0	114.9
468	L	48.4	Very low	66.8	Low	152 Å²	152	48.9 Å²	48.9	80%	0.796	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	5.3	-175.5	-75.1	158.8	0	0	0	112.9	G466	G466-L468 PolarHBondContact O-N 3.31Å; G466-L468 VanDerWaalsContact O-N 3.1Å
469	E	54	Low	64.5	Low	75 Å²	75	54.4 Å²	54.4	35%	0.35	29%	0.293	S	S	.	.			trans	-105.9	122.4	-170	-156	163.7	-171.6	0	0	110.6	G466	G466-E469 PolarHBondContact O-N 3.1Å
470	S	52.8	Low	62.4	Low	90 Å²	90	59.2 Å²	59.2	63%	0.629	32%	0.319	S	S	*	.			trans	-97	22.7	-172.3	48.5	0	0	0	0	113.8
471	S	63	Low	60.2	Low	22 Å²	22	62.8 Å²	62.8	15%	0.154	34%	0.34	C	S	.	.			trans	-69.4	144.8	179.7	75.8	0	0	0	0	110.8	L473 C474 Q475	S471-L473 PolarHBondContact O-N 3.06Å; S471-L473 VanDerWaalsContact O-N 3.12Å; S471-C474 PolarHBondContact O-N 2.92Å; S471-C474 PolarHBondContact OG-SG 3.01Å; S471-Q475 PolarHBondContact O-N 3.31Å
472	Q	63.2	Low	58	Low	87 Å²	87	66.8 Å²	66.8	41%	0.407	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-62.2	-20.6	178.2	-65.9	-175.8	-8.9	0	0	112.4	C474 A501	Q472-C474 VanDerWaalsContact C-N 3.26Å; Q472-C474 PolarHBondContact O-N 3.18Å; Q472-A501 HydrophobicContact CB-CB 4.21Å
473	L	69.3	Low	55.7	Low	2 Å²	2	71.8 Å²	71.8	1%	0.01	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-71.6	-21.5	174.2	-67.9	161.5	0	0	0	112.5	Y449 E460 S471 Y476 A501 L505 I545	Y449-L473 HydrophobicContact CE1-CD1 4.08Å; Y449-L473 HydrophobicContact CE1-CG 4.47Å; E460-L473 HydrophobicContact CG-CD1 4.37Å; S471-L473 PolarHBondContact O-N 3.06Å; S471-L473 VanDerWaalsContact O-N 3.12Å; L473-Y476 VanDerWaalsContact O-CE1 3.3Å; L473-Y476 WeakPolarHBondContact O-CE1 3.15Å; L473-A501 HydrophobicContact CD2-CB 4.15Å; L473-L505 HydrophobicContact CD2-CD1 3.63Å; L473-I545 HydrophobicContact CD2-CD1 4.21Å
474	C	66.3	Low	53.7	Low	4 Å²	4	74.9 Å²	74.9	3%	0.027	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-110.4	8.2	-174.9	-62.3	0	0	0	0	113.6	C465 S471 Q472 Y476 R477	C465-C474 WeakPolarHBondContact CA-SG 3.39Å; C465-C474 HydrophobicContact CB-CB 3.5Å; C465-C474 VanDerWaalsContact CB-CB 3.5Å; C465-C474 WeakPolarHBondContact CB-SG 3.09Å; C465-C474 WeakPolarHBondContact SG-CA 3.28Å; C465-C474 WeakPolarHBondContact SG-CB 3.4Å; C465-C474 CovalentContact SG-SG 2.02Å; C465-C474 PolarHBondContact SG-SG 3.15Å; S471-C474 PolarHBondContact O-N 2.92Å; S471-C474 PolarHBondContact OG-SG 3.01Å; Q472-C474 VanDerWaalsContact C-N 3.26Å; Q472-C474 PolarHBondContact O-N 3.18Å; C474-Y476 PolarHBondContact O-N 2.94Å; C474-R477 PolarHBondContact O-N 3.19Å
475	Q	62.3	Low	52	Low	81 Å²	81	76.3 Å²	76.3	38%	0.379	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-8.2	-173.3	-162.3	165.1	12.2	0	0	114	S471 R477	S471-Q475 PolarHBondContact O-N 3.31Å; Q475-R477 PolarHBondContact O-N 3.35Å
476	Y	58.3	Low	50.7	Low	21 Å²	21	82.7 Å²	82.7	8%	0.082	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-13.6	168.7	62.7	-91.1	0	0	0	113.9	C465 L473 C474 Q492 V498	C465-Y476 HydrophobicContact CB-CE1 4.44Å; C465-Y476 PolarHBondContact SG-OH 3.4Å; C465-Y476 VanDerWaalsContact SG-OH 3.39Å; L473-Y476 VanDerWaalsContact O-CE1 3.3Å; L473-Y476 WeakPolarHBondContact O-CE1 3.15Å; C474-Y476 PolarHBondContact O-N 2.94Å; Y476-Q492 VanDerWaalsContact O-CB 3.3Å; Y476-Q492 WeakPolarHBondContact O-CB 3.08Å; Y476-Q492 PolarHBondContact O-OE1 2.89Å; Y476-V498 HydrophobicContact CD1-CG2 4.09Å
477	R	52	Low	49.7	Very low	74 Å²	74	86.4 Å²	86.4	28%	0.279	50%	0.497	S	S	.	.	S	Bend	trans	-110.1	-8.7	-175.6	-157.4	171.7	-172.2	150.9	9.8	114.2	C465 C474 Q475	C465-R477 PolarHBondContact O-NH1 2.78Å; C474-R477 PolarHBondContact O-N 3.19Å; Q475-R477 PolarHBondContact O-N 3.35Å
478	S	44.5	Very low	49.4	Very low	67 Å²	67	87.4 Å²	87.4	47%	0.469	50%	0.497	S	S	.	.			trans	-114.8	83.1	-166.9	-169.1	0	0	0	0	112.9
479	Q	41.2	Very low	49.3	Very low	117 Å²	117	83.9 Å²	83.9	55%	0.547	48%	0.479	S	S	.	.			trans	-119	81.5	150.7	-70.6	-164.5	23.3	0	0	109.7	N481 E495	Q479-N481 PolarHBondContact O-N 3.42Å; Q479-N481 VanDerWaalsContact O-N 3.1Å; Q479-E495 PolarHBondContact NE2-OE1 3.18Å
480	M	42	Very low	49.1	Very low	183 Å²	183	80.9 Å²	80.9	90%	0.901	47%	0.466	S	S	*	.			trans	-83.5	61.6	163.8	-157.3	156.8	-164.6	0	0	110.1	G482	M480-G482 VanDerWaalsContact C-N 3.35Å; M480-G482 PolarHBondContact O-N 2.84Å
481	N	37.5	Very low	49	Very low	113 Å²	113	78 Å²	78	60%	0.604	44%	0.444	S	S	*	.			trans	-87.5	75.6	170.1	-83.7	-22.2	0	0	0	110	Q479 S483	Q479-N481 PolarHBondContact O-N 3.42Å; Q479-N481 VanDerWaalsContact O-N 3.1Å; N481-S483 PolarHBondContact O-N 3Å; N481-S483 PolarHBondContact O-OG 3.27Å
482	G	42.2	Very low	48.7	Very low	85 Å²	85	79.7 Å²	79.7	88%	0.876	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.7	6	149.1	0	0	0	0	0	122.6	M480	M480-G482 VanDerWaalsContact C-N 3.35Å; M480-G482 PolarHBondContact O-N 2.84Å
483	S	38.2	Very low	48.6	Very low	115 Å²	115	78.5 Å²	78.5	80%	0.804	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-162.1	-11.8	-173.9	54.2	0	0	0	0	114.8	N481	N481-S483 PolarHBondContact O-N 3Å; N481-S483 PolarHBondContact O-OG 3.27Å
484	T	39	Very low	48.2	Very low	99 Å²	99	79 Å²	79	61%	0.607	45%	0.453	S	S	*	.	S	Bend	trans	-107.8	122.9	173	43.6	0	0	0	0	109.7
485	A	37.2	Very low	48.2	Very low	84 Å²	84	81 Å²	81	69%	0.694	46%	0.462	S	S	*	.			trans	-50.5	143.3	173	0	0	0	0	0	110.6	T487	A485-T487 PolarHBondContact O-N 3.24Å
486	Y	43.1	Very low	48.4	Very low	142 Å²	142	82.4 Å²	82.4	56%	0.557	48%	0.478	S	S	*	.			trans	-40.5	107.9	161.2	176.4	-102.9	0	0	0	108.7	D488	Y486-D488 HydrophobicContact CE1-CB 4.18Å; Y486-D488 WeakPolarHBondContact CE1-OD1 3.06Å; Y486-D488 VanDerWaalsContact CZ-OD1 3.31Å; Y486-D488 PolarHBondContact OH-OD1 3.05Å
487	T	40.7	Very low	49	Very low	102 Å²	102	82.2 Å²	82.2	63%	0.626	48%	0.483	S	S	*	.			trans	-87.4	114.1	169.4	37.2	0	0	0	0	105.7	A485 D489	A485-T487 PolarHBondContact O-N 3.24Å; T487-D489 PolarHBondContact O-N 3.06Å
488	D	42.3	Very low	50.2	Low	120 Å²	120	78.8 Å²	78.8	64%	0.642	47%	0.47	S	S	*	.			trans	-68.7	40.3	178.8	-117.6	-25.8	0	0	0	111.5	Y486 P490	Y486-D488 HydrophobicContact CE1-CB 4.18Å; Y486-D488 WeakPolarHBondContact CE1-OD1 3.06Å; Y486-D488 VanDerWaalsContact CZ-OD1 3.31Å; Y486-D488 PolarHBondContact OH-OD1 3.05Å; D488-P490 VanDerWaalsContact O-CD 3.23Å; D488-P490 WeakPolarHBondContact O-CD 3.5Å
489	D	45.5	Very low	51.9	Low	79 Å²	79	81.2 Å²	81.2	42%	0.422	47%	0.47	S	S	.	.			trans	-103.6	98.6	175.5	-158.1	-10.3	0	0	0	108.7	T487 N491	T487-D489 PolarHBondContact O-N 3.06Å; D489-N491 PolarHBondContact O-N 2.9Å; D489-N491 VanDerWaalsContact O-N 3.17Å; D489-N491 PolarHBondContact OD1-N 2.88Å
490	P	51.2	Low	53.8	Low	11 Å²	11	78.2 Å²	78.2	7%	0.071	46%	0.462	C	S	.	.			trans	-63.8	-15.1	-179.2	20.2	-28.6	0	0	0	113.5	D488 G567 D569	D488-P490 VanDerWaalsContact O-CD 3.23Å; D488-P490 WeakPolarHBondContact O-CD 3.5Å; P490-G567 WeakPolarHBondContact CD-O 3.48Å; P490-G567 VanDerWaalsContact CG-O 3.25Å; P490-G567 WeakPolarHBondContact CG-O 3.22Å; P490-D569 WeakPolarHBondContact CB-OD1 3.27Å
491	N	49.5	Very low	55.7	Low	29 Å²	29	69.5 Å²	69.5	16%	0.155	42%	0.419	C	S	.	.			trans	-110.3	81.9	-171.7	-69.5	-26.2	0	0	0	111.2	D489 Y552	D489-N491 PolarHBondContact O-N 2.9Å; D489-N491 VanDerWaalsContact O-N 3.17Å; D489-N491 PolarHBondContact OD1-N 2.88Å; N491-Y552 HydrophobicContact CB-CD2 3.56Å; N491-Y552 HydrophobicContact CB-CE2 3.57Å; N491-Y552 WeakPolarHBondContact O-CE2 3.43Å; N491-Y552 PolarHBondContact O-OH 3.06Å
492	Q	56.7	Low	58	Low	58 Å²	58	66 Å²	66	27%	0.271	40%	0.399	S	S	.	.			trans	-97.9	145.8	170.3	-65.7	-170.9	26.3	0	0	110.6	Y476 A494	Y476-Q492 VanDerWaalsContact O-CB 3.3Å; Y476-Q492 WeakPolarHBondContact O-CB 3.08Å; Y476-Q492 PolarHBondContact O-OE1 2.89Å; Q492-A494 PolarHBondContact O-N 3.16Å
493	P	61	Low	60.2	Low	63 Å²	63	70.3 Å²	70.3	41%	0.409	39%	0.389	S	S	.	.			trans	-59.6	140.9	174.5	26.5	-33.4	0	0	0	109.7	E495 Y552	P493-E495 PolarHBondContact O-N 2.67Å; P493-Y552 HydrophobicContact CB-CE1 4.11Å
494	A	62.3	Low	62.7	Low	11 Å²	11	66.7 Å²	66.7	9%	0.091	36%	0.36	C	S	.	.			trans	-50.5	115.6	176.2	0	0	0	0	0	111	Q492 V498 Y499 Q549	Q492-A494 PolarHBondContact O-N 3.16Å; A494-V498 HydrophobicContact CB-CB 4.18Å; A494-V498 HydrophobicContact CB-CG1 4.29Å; A494-Y499 HydrophobicContact CB-CD2 4.32Å; A494-Y499 HydrophobicContact CB-CE2 3.68Å; A494-Y499 VanDerWaalsContact O-CE2 3.29Å; A494-Y499 WeakPolarHBondContact O-CE2 3.25Å; A494-Q549 HydrophobicContact CB-CG 4.47Å
495	E	66.3	Low	65.2	Low	48 Å²	48	62 Å²	62	22%	0.224	33%	0.331	C	S	.	.			trans	-69.8	159.9	173.1	-77	-160.8	161.6	0	0	110.4	Q479 P493 G497 V498	Q479-E495 PolarHBondContact NE2-OE1 3.18Å; P493-E495 PolarHBondContact O-N 2.67Å; E495-G497 PolarHBondContact O-N 3.23Å; E495-V498 PolarHBondContact O-N 2.96Å
496	P	66.1	Low	67.8	Low	109 Å²	109	60.1 Å²	60.1	71%	0.708	31%	0.312	S	S	*	.	H	α-helix	trans	-51.1	-27.6	178.4	-26.9	34.1	0	0	0	114.5	S500	P496-S500 PolarHBondContact O-N 3.34Å; P496-S500 VanDerWaalsContact O-N 3.11Å
497	G	71.2	Confident	70.2	Confident	17 Å²	17	57 Å²	57	18%	0.175	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-40.6	174.8	0	0	0	0	0	113.7	E495 S500 A501	E495-G497 PolarHBondContact O-N 3.23Å; G497-S500 WeakPolarHBondContact O-CB 3.42Å; G497-S500 PolarHBondContact O-N 2.86Å; G497-A501 PolarHBondContact O-N 3.44Å
498	V	75.9	Confident	72.6	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-69.1	-41.7	179.7	-179.5	0	0	0	0	110.7	Y476 A494 E495 S500 A501 M502 I545	Y476-V498 HydrophobicContact CD1-CG2 4.09Å; A494-V498 HydrophobicContact CB-CB 4.18Å; A494-V498 HydrophobicContact CB-CG1 4.29Å; E495-V498 PolarHBondContact O-N 2.96Å; V498-S500 VanDerWaalsContact C-N 3.32Å; V498-S500 PolarHBondContact O-N 3.49Å; V498-A501 WeakPolarHBondContact O-CB 3.44Å; V498-A501 PolarHBondContact O-N 2.87Å; V498-M502 HydrophobicContact CG1-CG 4.47Å; V498-M502 HydrophobicContact CG1-SD 4.48Å; V498-M502 WeakPolarHBondContact O-CG 3.41Å; V498-M502 PolarHBondContact O-N 3.32Å; V498-I545 HydrophobicContact CG1-CG2 4.27Å
499	Y	80.3	Confident	75.1	Confident	119 Å²	119	47.7 Å²	47.7	47%	0.467	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-38.7	175.2	-69.6	-73.1	0	0	0	112.4	A494 M502 W503	A494-Y499 HydrophobicContact CB-CD2 4.32Å; A494-Y499 HydrophobicContact CB-CE2 3.68Å; A494-Y499 VanDerWaalsContact O-CE2 3.29Å; A494-Y499 WeakPolarHBondContact O-CE2 3.25Å; Y499-M502 PolarHBondContact O-N 3.45Å; Y499-W503 PolarHBondContact O-N 2.94Å
500	S	81.2	Confident	77.5	Confident	54 Å²	54	48.5 Å²	48.5	38%	0.378	25%	0.254	S	S	.	.	H	α-helix	trans	-62.2	-46.3	172.5	-179.8	0	0	0	0	111.2	P496 G497 V498 M502 W503 Q504	P496-S500 PolarHBondContact O-N 3.34Å; P496-S500 VanDerWaalsContact O-N 3.11Å; G497-S500 WeakPolarHBondContact O-CB 3.42Å; G497-S500 PolarHBondContact O-N 2.86Å; V498-S500 VanDerWaalsContact C-N 3.32Å; V498-S500 PolarHBondContact O-N 3.49Å; S500-M502 PolarHBondContact O-N 3.19Å; S500-W503 PolarHBondContact O-N 3.35Å; S500-Q504 VanDerWaalsContact O-CG 3.3Å; S500-Q504 WeakPolarHBondContact O-CG 3.2Å; S500-Q504 PolarHBondContact O-N 3.23Å
501	A	82.1	Confident	79.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-43	176.6	0	0	0	0	0	112.2	Y449 Q472 L473 G497 V498 W503 Q504 L505	Y449-A501 HydrophobicContact CE2-CB 4.42Å; Y449-A501 WeakPolarHBondContact OH-CB 3.38Å; Q472-A501 HydrophobicContact CB-CB 4.21Å; L473-A501 HydrophobicContact CD2-CB 4.15Å; G497-A501 PolarHBondContact O-N 3.44Å; V498-A501 WeakPolarHBondContact O-CB 3.44Å; V498-A501 PolarHBondContact O-N 2.87Å; A501-W503 PolarHBondContact O-N 2.99Å; A501-Q504 PolarHBondContact O-N 2.93Å; A501-L505 WeakPolarHBondContact O-CB 3.27Å; A501-L505 WeakPolarHBondContact O-CG 3.08Å; A501-L505 PolarHBondContact O-N 3.46Å
502	M	86	Confident	81.6	Confident	40 Å²	40	48.4 Å²	48.4	20%	0.197	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-44	175.2	-73.1	-179.6	74.1	0	0	111.9	V498 Y499 S500 L505 C506 I545	V498-M502 HydrophobicContact CG1-CG 4.47Å; V498-M502 HydrophobicContact CG1-SD 4.48Å; V498-M502 WeakPolarHBondContact O-CG 3.41Å; V498-M502 PolarHBondContact O-N 3.32Å; Y499-M502 PolarHBondContact O-N 3.45Å; S500-M502 PolarHBondContact O-N 3.19Å; M502-L505 PolarHBondContact O-N 3.29Å; M502-C506 PolarHBondContact O-N 3Å; M502-C506 PolarHBondContact O-SG 2.94Å; M502-C506 VanDerWaalsContact O-SG 3.32Å; M502-I545 HydrophobicContact SD-CG2 3.99Å
503	W	89.1	Confident	83.4	Confident	174 Å²	174	47.2 Å²	47.2	66%	0.659	25%	0.247	S	C	*	.	H	α-helix	trans	-63	-43	176	179.2	-108.3	0	0	0	112	Y499 S500 A501 L505 C506 L507	Y499-W503 PolarHBondContact O-N 2.94Å; S500-W503 PolarHBondContact O-N 3.35Å; A501-W503 PolarHBondContact O-N 2.99Å; W503-L505 PolarHBondContact O-N 3.37Å; W503-C506 PolarHBondContact O-N 2.9Å; W503-L507 HydrophobicContact CZ2-CD1 4.49Å; W503-L507 HydrophobicContact CZ2-CD2 4.33Å; W503-L507 HydrophobicContact CZ2-CG 4.49Å; W503-L507 WeakPolarHBondContact O-CG 3.38Å; W503-L507 PolarHBondContact O-N 3.29Å
504	Q	89.9	Confident	85	Confident	40 Å²	40	48.1 Å²	48.1	19%	0.187	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-37.8	176	-68.6	175.3	10.7	0	0	112.4	N447 Y449 S500 A501 L507 A508	N447-Q504 PolarHBondContact ND2-O 3.01Å; Y449-Q504 HydrophobicContact CD2-CB 3.74Å; Y449-Q504 HydrophobicContact CE2-CB 3.81Å; S500-Q504 VanDerWaalsContact O-CG 3.3Å; S500-Q504 WeakPolarHBondContact O-CG 3.2Å; S500-Q504 PolarHBondContact O-N 3.23Å; A501-Q504 PolarHBondContact O-N 2.93Å; Q504-L507 PolarHBondContact O-N 2.99Å; Q504-A508 WeakPolarHBondContact O-CB 3.35Å; Q504-A508 PolarHBondContact O-N 3.28Å
505	L	91.3	Very high	86.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.8	-40.9	173.3	-77.3	-178.2	0	0	0	112.2	Y449 L461 L473 A501 M502 W503 L507 A508 L509 I538 I542	Y449-L505 HydrophobicContact CD1-CD2 4.06Å; Y449-L505 HydrophobicContact CD2-CD2 3.95Å; Y449-L505 HydrophobicContact CD2-CG 4.24Å; Y449-L505 HydrophobicContact CE1-CD2 4.41Å; Y449-L505 HydrophobicContact CE2-CD2 4.31Å; Y449-L505 HydrophobicContact CE2-CG 4.23Å; Y449-L505 HydrophobicContact CG-CD2 3.82Å; L461-L505 HydrophobicContact CD2-CD1 4.32Å; L461-L505 HydrophobicContact CD2-CD2 4.18Å; L473-L505 HydrophobicContact CD2-CD1 3.63Å; A501-L505 WeakPolarHBondContact O-CB 3.27Å; A501-L505 WeakPolarHBondContact O-CG 3.08Å; A501-L505 PolarHBondContact O-N 3.46Å; M502-L505 PolarHBondContact O-N 3.29Å; W503-L505 PolarHBondContact O-N 3.37Å; L505-L507 PolarHBondContact O-N 3.08Å; L505-A508 CarbonylContact O-C 3.59Å; L505-A508 WeakPolarHBondContact O-CB 3.35Å; L505-A508 PolarHBondContact O-N 3.39Å; L505-L509 WeakPolarHBondContact O-CB 3.42Å; L505-L509 PolarHBondContact O-N 2.82Å; L505-I538 HydrophobicContact CB-CG2 4.1Å; L505-I538 HydrophobicContact CD2-CG1 4.48Å; L505-I538 HydrophobicContact CD2-CG2 4.27Å; L505-I538 WeakPolarHBondContact O-CG2 3.27Å; L505-I542 HydrophobicContact CB-CD1 4.26Å; L505-I542 HydrophobicContact CB-CG1 4.33Å
506	C	92.9	Very high	87.9	Confident	44 Å²	44	45.9 Å²	45.9	30%	0.297	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-43.9	173.9	-75.3	0	0	0	0	111.7	M502 W503 A508 L509 I510	M502-C506 PolarHBondContact O-N 3Å; M502-C506 PolarHBondContact O-SG 2.94Å; M502-C506 VanDerWaalsContact O-SG 3.32Å; W503-C506 PolarHBondContact O-N 2.9Å; C506-A508 VanDerWaalsContact C-N 3.35Å; C506-L509 WeakPolarHBondContact O-CB 3.32Å; C506-L509 PolarHBondContact O-N 2.89Å; C506-I510 WeakPolarHBondContact O-CG1 3.45Å; C506-I510 PolarHBondContact O-N 3.26Å; C506-I510 VanDerWaalsContact O-N 3.16Å
507	L	92.5	Very high	89.2	Confident	78 Å²	78	41.5 Å²	41.5	41%	0.408	21%	0.205	S	C	.	.	H	α-helix	trans	-64	-40.3	173.6	-70.4	177	0	0	0	111.7	W503 Q504 L505 L509 I510 F511	W503-L507 HydrophobicContact CZ2-CD1 4.49Å; W503-L507 HydrophobicContact CZ2-CD2 4.33Å; W503-L507 HydrophobicContact CZ2-CG 4.49Å; W503-L507 WeakPolarHBondContact O-CG 3.38Å; W503-L507 PolarHBondContact O-N 3.29Å; Q504-L507 PolarHBondContact O-N 2.99Å; L505-L507 PolarHBondContact O-N 3.08Å; L507-L509 VanDerWaalsContact C-N 3.34Å; L507-L509 PolarHBondContact O-N 2.84Å; L507-I510 PolarHBondContact O-N 2.76Å; L507-F511 WeakPolarHBondContact O-CB 3.39Å; L507-F511 PolarHBondContact O-N 3.47Å
508	A	92.5	Very high	90.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-40.6	175.5	0	0	0	0	0	112	T450 Q504 L505 C506 F511 K512 I538	T450-A508 HydrophobicContact CG2-CB 3.54Å; Q504-A508 WeakPolarHBondContact O-CB 3.35Å; Q504-A508 PolarHBondContact O-N 3.28Å; L505-A508 CarbonylContact O-C 3.59Å; L505-A508 WeakPolarHBondContact O-CB 3.35Å; L505-A508 PolarHBondContact O-N 3.39Å; C506-A508 VanDerWaalsContact C-N 3.35Å; A508-F511 PolarHBondContact O-N 3.32Å; A508-K512 WeakPolarHBondContact O-CB 3.37Å; A508-K512 VanDerWaalsContact O-CG 3.23Å; A508-K512 WeakPolarHBondContact O-CG 3.34Å; A508-K512 PolarHBondContact O-N 3.17Å; A508-I538 HydrophobicContact CB-CD1 4.39Å
509	L	94.8	Very high	91.1	Very high	25 Å²	25	43.9 Å²	43.9	13%	0.131	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-52	177.4	-178.9	64.2	0	0	0	111.1	L505 C506 L507 F511 K512 I513 I535 I538 A539	L505-L509 WeakPolarHBondContact O-CB 3.42Å; L505-L509 PolarHBondContact O-N 2.82Å; C506-L509 WeakPolarHBondContact O-CB 3.32Å; C506-L509 PolarHBondContact O-N 2.89Å; L507-L509 VanDerWaalsContact C-N 3.34Å; L507-L509 PolarHBondContact O-N 2.84Å; L509-F511 VanDerWaalsContact C-N 3.32Å; L509-F511 PolarHBondContact O-N 3.19Å; L509-K512 PolarHBondContact O-N 2.84Å; L509-I513 HydrophobicContact CD1-CD1 4.12Å; L509-I513 HydrophobicContact CG-CD1 4Å; L509-I513 WeakPolarHBondContact O-CB 3.5Å; L509-I513 VanDerWaalsContact O-CG1 3.31Å; L509-I513 WeakPolarHBondContact O-CG1 3.26Å; L509-I513 PolarHBondContact O-N 2.98Å; L509-I535 HydrophobicContact CD1-CB 4.44Å; L509-I535 HydrophobicContact CD1-CG2 3.77Å; L509-I535 WeakPolarHBondContact CD1-O 3.5Å; L509-I538 HydrophobicContact CB-CG2 3.87Å; L509-I538 HydrophobicContact CD1-CB 4.3Å; L509-I538 HydrophobicContact CD1-CG2 4.29Å; L509-A539 HydrophobicContact CD1-CB 4.43Å; L509-A539 HydrophobicContact CD2-CB 4.46Å
510	I	94.8	Very high	91.7	Very high	97 Å²	97	38.7 Å²	38.7	50%	0.497	19%	0.191	S	C	.	.	H	α-helix	trans	-60.4	-45.5	179	-65.1	168.1	0	0	0	110.3	C506 L507 I513 I514	C506-I510 WeakPolarHBondContact O-CG1 3.45Å; C506-I510 PolarHBondContact O-N 3.26Å; C506-I510 VanDerWaalsContact O-N 3.16Å; L507-I510 PolarHBondContact O-N 2.76Å; I510-I513 PolarHBondContact O-N 3.42Å; I510-I514 HydrophobicContact CG2-CD1 3.91Å; I510-I514 WeakPolarHBondContact O-CG1 3.35Å; I510-I514 PolarHBondContact O-N 3.06Å; I510-I514 VanDerWaalsContact O-N 3.11Å
511	F	93.5	Very high	92	Very high	27 Å²	27	37.5 Å²	37.5	12%	0.118	19%	0.187	C	C	.	.	H	α-helix	trans	-60.8	-49.8	178.3	175.2	-107.9	0	0	0	112.2	T440 V443 A444 T450 L507 A508 L509 I513 I514 M515	T440-F511 HydrophobicContact CG2-CZ 4.12Å; V443-F511 HydrophobicContact CB-CD2 4.15Å; V443-F511 HydrophobicContact CB-CE2 3.5Å; V443-F511 VanDerWaalsContact CB-CE2 3.5Å; V443-F511 HydrophobicContact CB-CZ 4.11Å; V443-F511 HydrophobicContact CG1-CD2 3.42Å; V443-F511 VanDerWaalsContact CG1-CD2 3.42Å; V443-F511 HydrophobicContact CG1-CE2 3.31Å; V443-F511 HydrophobicContact CG1-CG 4.36Å; V443-F511 HydrophobicContact CG1-CZ 4.17Å; V443-F511 HydrophobicContact CG2-CE2 4.47Å; A444-F511 HydrophobicContact CB-CE1 4.09Å; A444-F511 HydrophobicContact CB-CZ 4.16Å; T450-F511 HydrophobicContact CG2-CB 4.44Å; T450-F511 HydrophobicContact CG2-CD1 3.6Å; T450-F511 HydrophobicContact CG2-CE1 4.26Å; T450-F511 HydrophobicContact CG2-CG 4.34Å; L507-F511 WeakPolarHBondContact O-CB 3.39Å; L507-F511 PolarHBondContact O-N 3.47Å; A508-F511 PolarHBondContact O-N 3.32Å; L509-F511 VanDerWaalsContact C-N 3.32Å; L509-F511 PolarHBondContact O-N 3.19Å; F511-I513 PolarHBondContact O-N 3.24Å; F511-I514 PolarHBondContact O-N 3.45Å; F511-M515 HydrophobicContact CD1-CG 4.46Å; F511-M515 HydrophobicContact CD2-CG 3.72Å; F511-M515 HydrophobicContact CE1-CG 4.16Å; F511-M515 HydrophobicContact CE2-CE 3.71Å; F511-M515 HydrophobicContact CE2-CG 3.34Å; F511-M515 HydrophobicContact CE2-SD 4.1Å; F511-M515 HydrophobicContact CG-CG 4.28Å; F511-M515 HydrophobicContact CZ-CE 3.92Å; F511-M515 HydrophobicContact CZ-CG 3.62Å; F511-M515 WeakPolarHBondContact O-CB 3.29Å; F511-M515 VanDerWaalsContact O-CG 3.26Å; F511-M515 WeakPolarHBondContact O-CG 3.43Å; F511-M515 PolarHBondContact O-N 3.36Å
512	K	94.3	Very high	92.4	Very high	10 Å²	10	37.7 Å²	37.7	4%	0.043	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-43.5	179.6	-69.7	-80.9	-173.1	-179.9	0	110.8	T454 A508 L509 I514 M515 T516 I535	T454-K512 PolarHBondContact OG1-NZ 2.99Å; A508-K512 WeakPolarHBondContact O-CB 3.37Å; A508-K512 VanDerWaalsContact O-CG 3.23Å; A508-K512 WeakPolarHBondContact O-CG 3.34Å; A508-K512 PolarHBondContact O-N 3.17Å; L509-K512 PolarHBondContact O-N 2.84Å; K512-I514 PolarHBondContact O-N 3.45Å; K512-M515 PolarHBondContact O-N 3.41Å; K512-T516 WeakPolarHBondContact O-CB 3.41Å; K512-T516 PolarHBondContact O-N 3.42Å; K512-T516 PolarHBondContact O-OG1 3.13Å; K512-I535 HydrophobicContact CB-CD1 4.39Å; K512-I535 HydrophobicContact CB-CG1 3.9Å
513	I	94.3	Very high	92.6	Very high	34 Å²	34	39.9 Å²	39.9	17%	0.174	20%	0.196	C	C	.	.	H	α-helix	trans	-51.6	-52.8	174.6	-80.1	170.8	0	0	0	111.3	W405 L509 I510 F511 I517 I535	W405-I513 HydrophobicContact CE3-CD1 4.34Å; W405-I513 HydrophobicContact CE3-CG1 4.06Å; W405-I513 HydrophobicContact CE3-CG2 4.31Å; W405-I513 HydrophobicContact CH2-CB 3.83Å; W405-I513 HydrophobicContact CH2-CG1 3.75Å; W405-I513 HydrophobicContact CH2-CG2 3.64Å; W405-I513 HydrophobicContact CZ2-CG1 4.22Å; W405-I513 HydrophobicContact CZ3-CB 3.88Å; W405-I513 HydrophobicContact CZ3-CD1 4.3Å; W405-I513 HydrophobicContact CZ3-CG1 3.67Å; W405-I513 HydrophobicContact CZ3-CG2 3.33Å; L509-I513 HydrophobicContact CD1-CD1 4.12Å; L509-I513 HydrophobicContact CG-CD1 4Å; L509-I513 WeakPolarHBondContact O-CB 3.5Å; L509-I513 VanDerWaalsContact O-CG1 3.31Å; L509-I513 WeakPolarHBondContact O-CG1 3.26Å; L509-I513 PolarHBondContact O-N 2.98Å; I510-I513 PolarHBondContact O-N 3.42Å; F511-I513 PolarHBondContact O-N 3.24Å; I513-I517 WeakPolarHBondContact O-CD1 3.38Å; I513-I517 WeakPolarHBondContact O-CG1 3.35Å; I513-I535 HydrophobicContact CD1-CG2 4.39Å; I513-I535 HydrophobicContact CG1-CD1 4.15Å; I513-I535 HydrophobicContact CG1-CG1 4.45Å; I513-I535 HydrophobicContact CG1-CG2 3.92Å
514	I	94.8	Very high	92.8	Very high	82 Å²	82	31.7 Å²	31.7	42%	0.421	17%	0.165	S	C	.	.	H	α-helix	trans	-67.2	-47	-177.1	-64.9	170.5	0	0	0	110.2	I510 F511 K512 I517 F518	I510-I514 HydrophobicContact CG2-CD1 3.91Å; I510-I514 WeakPolarHBondContact O-CG1 3.35Å; I510-I514 PolarHBondContact O-N 3.06Å; I510-I514 VanDerWaalsContact O-N 3.11Å; F511-I514 PolarHBondContact O-N 3.45Å; K512-I514 PolarHBondContact O-N 3.45Å; I514-I517 PolarHBondContact O-N 2.79Å; I514-F518 HydrophobicContact CG2-CD2 4.03Å; I514-F518 HydrophobicContact CG2-CE2 3.71Å; I514-F518 WeakPolarHBondContact O-CD2 3.42Å
515	M	93.9	Very high	93.1	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.059	16%	0.156	C	C	.	.	H	α-helix	trans	-71.1	-36.5	-173.5	-66.6	-56.3	-110.3	0	0	113.1	I439 T440 F511 K512 I517 F518 T519	I439-M515 HydrophobicContact CB-CE 4.1Å; I439-M515 HydrophobicContact CG2-CE 3.64Å; I439-M515 HydrophobicContact CG2-SD 4.47Å; T440-M515 HydrophobicContact CG2-CE 4.22Å; T440-M515 VanDerWaalsContact N-CE 3.29Å; T440-M515 WeakPolarHBondContact OG1-CE 3.43Å; F511-M515 HydrophobicContact CD1-CG 4.46Å; F511-M515 HydrophobicContact CD2-CG 3.72Å; F511-M515 HydrophobicContact CE1-CG 4.16Å; F511-M515 HydrophobicContact CE2-CE 3.71Å; F511-M515 HydrophobicContact CE2-CG 3.34Å; F511-M515 HydrophobicContact CE2-SD 4.1Å; F511-M515 HydrophobicContact CG-CG 4.28Å; F511-M515 HydrophobicContact CZ-CE 3.92Å; F511-M515 HydrophobicContact CZ-CG 3.62Å; F511-M515 WeakPolarHBondContact O-CB 3.29Å; F511-M515 VanDerWaalsContact O-CG 3.26Å; F511-M515 WeakPolarHBondContact O-CG 3.43Å; F511-M515 PolarHBondContact O-N 3.36Å; K512-M515 PolarHBondContact O-N 3.41Å; M515-I517 VanDerWaalsContact C-N 3.27Å; M515-I517 PolarHBondContact O-N 3.14Å; M515-F518 PolarHBondContact O-N 2.81Å; M515-T519 WeakPolarHBondContact O-CB 3.16Å; M515-T519 PolarHBondContact O-N 3.43Å; M515-T519 PolarHBondContact O-OG1 3.46Å
516	T	94.1	Very high	93.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-36.2	176.8	-54.2	0	0	0	0	111.3	S280 F409 K512 F518 T519 F520 L528 P531	S280-T516 PolarHBondContact OG-OG1 3.2Å; F409-T516 HydrophobicContact CE2-CG2 3.79Å; F409-T516 HydrophobicContact CZ-CG2 4.26Å; K512-T516 WeakPolarHBondContact O-CB 3.41Å; K512-T516 PolarHBondContact O-N 3.42Å; K512-T516 PolarHBondContact O-OG1 3.13Å; T516-F518 PolarHBondContact O-N 3.18Å; T516-T519 PolarHBondContact O-N 3.41Å; T516-F520 PolarHBondContact O-N 3.26Å; T516-F520 VanDerWaalsContact O-N 3.1Å; T516-L528 HydrophobicContact CG2-CD1 3.68Å; T516-P531 HydrophobicContact CG2-CB 3.72Å
517	I	94.9	Very high	93.1	Very high	16 Å²	16	27.8 Å²	27.8	8%	0.082	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-45.1	177	-66.5	165.6	0	0	0	111.3	W405 F408 F409 A412 N413 I513 I514 M515	W405-I517 HydrophobicContact CH2-CD1 4.25Å; W405-I517 HydrophobicContact CH2-CG1 4.27Å; W405-I517 HydrophobicContact CZ3-CD1 4.45Å; F408-I517 HydrophobicContact CD1-CD1 4.48Å; F408-I517 HydrophobicContact CE1-CD1 3.76Å; F408-I517 HydrophobicContact CZ-CD1 4.45Å; F409-I517 HydrophobicContact CD2-CG1 3.65Å; F409-I517 HydrophobicContact CE2-CG1 4Å; A412-I517 HydrophobicContact CB-CD1 4.16Å; A412-I517 HydrophobicContact CB-CG2 4.02Å; N413-I517 PolarHBondContact ND2-O 3.04Å; I513-I517 WeakPolarHBondContact O-CD1 3.38Å; I513-I517 WeakPolarHBondContact O-CG1 3.35Å; I514-I517 PolarHBondContact O-N 2.79Å; M515-I517 VanDerWaalsContact C-N 3.27Å; M515-I517 PolarHBondContact O-N 3.14Å
518	F	93.4	Very high	93.1	Very high	69 Å²	69	24.1 Å²	24.1	30%	0.303	12%	0.124	S	C	.	.	H	α-helix	trans	-77.6	-32.5	-179.9	-67.4	-65.4	0	0	0	112.9	W416 R420 I514 M515 T516	W416-F518 AromaticContact CD2-CD1 3.78Å; W416-F518 HydrophobicContact CD2-CD1 3.78Å; W416-F518 AromaticContact CD2-CE1 3.72Å; W416-F518 HydrophobicContact CD2-CE1 3.72Å; W416-F518 AromaticContact CE2-CD1 3.48Å; W416-F518 VanDerWaalsContact CE2-CD1 3.48Å; W416-F518 AromaticContact CE2-CE1 3.77Å; W416-F518 HydrophobicContact CE3-CD1 4.28Å; W416-F518 AromaticContact CE3-CE1 3.74Å; W416-F518 HydrophobicContact CE3-CE1 3.74Å; W416-F518 HydrophobicContact CG-CD1 4.17Å; W416-F518 HydrophobicContact CG-CE1 4.38Å; W416-F518 HydrophobicContact CH2-CD1 4.25Å; W416-F518 AromaticContact CH2-CE1 3.86Å; W416-F518 HydrophobicContact CH2-CE1 3.86Å; W416-F518 AromaticContact CZ2-CD1 3.76Å; W416-F518 HydrophobicContact CZ2-CD1 3.76Å; W416-F518 AromaticContact CZ2-CE1 3.86Å; W416-F518 HydrophobicContact CZ2-CE1 3.86Å; W416-F518 HydrophobicContact CZ3-CD1 4.49Å; W416-F518 AromaticContact CZ3-CE1 3.81Å; W416-F518 HydrophobicContact CZ3-CE1 3.81Å; W416-F518 AromaticContact NE1-CD1 3.68Å; R420-F518 PolarHBondContact NH1-O 3.33Å; R420-F518 PolarHBondContact NH2-O 3.28Å; I514-F518 HydrophobicContact CG2-CD2 4.03Å; I514-F518 HydrophobicContact CG2-CE2 3.71Å; I514-F518 WeakPolarHBondContact O-CD2 3.42Å; M515-F518 PolarHBondContact O-N 2.81Å; T516-F518 PolarHBondContact O-N 3.18Å
519	T	93.1	Very high	93.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-76	-37.4	-174	-55.7	0	0	0	0	111.8	L279 L281 M515 T516 G521 L522	L279-T519 HydrophobicContact CB-CG2 3.97Å; L279-T519 HydrophobicContact CD2-CG2 4.24Å; L281-T519 HydrophobicContact CD1-CG2 4.23Å; L281-T519 HydrophobicContact CD2-CG2 3.38Å; L281-T519 HydrophobicContact CG-CG2 3.56Å; M515-T519 WeakPolarHBondContact O-CB 3.16Å; M515-T519 PolarHBondContact O-N 3.43Å; M515-T519 PolarHBondContact O-OG1 3.46Å; T516-T519 PolarHBondContact O-N 3.41Å; T519-G521 PolarHBondContact O-N 2.85Å; T519-L522 HydrophobicContact CG2-CD1 4.06Å; T519-L522 WeakPolarHBondContact O-CB 3.47Å; T519-L522 VanDerWaalsContact O-CG 3.26Å; T519-L522 WeakPolarHBondContact O-CG 3.4Å; T519-L522 PolarHBondContact O-N 2.85Å
520	F	91.6	Very high	93	Very high	11 Å²	11	23.6 Å²	23.6	5%	0.048	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	129	176.7	-166.1	-115.8	0	0	0	111	F409 N413 R420 T516 L528 I631 H635	F409-F520 HydrophobicContact CZ-CB 4.21Å; F409-F520 HydrophobicContact CZ-CD1 4.3Å; F409-F520 HydrophobicContact CZ-CG 4.48Å; N413-F520 PolarHBondContact ND2-O 3.36Å; R420-F520 PolarHBondContact NH1-O 2.96Å; R420-F520 VanDerWaalsContact NH1-O 3.11Å; T516-F520 PolarHBondContact O-N 3.26Å; T516-F520 VanDerWaalsContact O-N 3.1Å; F520-L528 HydrophobicContact CB-CD1 4.5Å; F520-L528 HydrophobicContact CD1-CD2 4.24Å; F520-L528 HydrophobicContact CD2-CB 4.08Å; F520-L528 HydrophobicContact CD2-CD1 4.32Å; F520-L528 HydrophobicContact CD2-CD2 4.45Å; F520-L528 HydrophobicContact CE1-CD2 4.06Å; F520-L528 HydrophobicContact CE2-CB 3.88Å; F520-L528 HydrophobicContact CE2-CD2 4.31Å; F520-L528 HydrophobicContact CG-CD1 4.32Å; F520-L528 HydrophobicContact CG-CD2 4.43Å; F520-L528 HydrophobicContact CZ-CB 4.37Å; F520-L528 HydrophobicContact CZ-CD2 4.12Å; F520-I631 HydrophobicContact CD1-CD1 4.27Å; F520-I631 HydrophobicContact CD1-CG1 4.23Å; F520-I631 HydrophobicContact CE1-CD1 3.94Å; F520-I631 HydrophobicContact CE1-CG1 3.55Å; F520-I631 HydrophobicContact CZ-CG1 4.3Å; F520-H635 AromaticContact CD1-CE1 3.67Å; F520-H635 AromaticContact CD1-NE2 3.9Å; F520-H635 AromaticContact CE1-CE1 3.21Å; F520-H635 WeakPolarHBondContact CE1-CE1 3.37Å; F520-H635 AromaticContact CE1-ND1 3.72Å; F520-H635 AromaticContact CE1-NE2 3.53Å
521	G	87.9	Confident	93	Very high	29 Å²	29	19 Å²	19	30%	0.299	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	6.1	-174.2	0	0	0	0	0	115.2	R420 T519	R420-G521 PolarHBondContact NH1-O 3.06Å; T519-G521 PolarHBondContact O-N 2.85Å
522	L	91.1	Very high	93	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	9%	0.092	C	C	.	.	S	Bend	trans	-66.4	154.4	165.8	-71.8	176.2	0	0	0	111.1	R420 E432 V433 V436 T519 V524	R420-L522 VanDerWaalsContact NH2-CD2 3.31Å; E432-L522 HydrophobicContact CG-CD2 3.81Å; V433-L522 HydrophobicContact CG2-CB 4.16Å; V433-L522 HydrophobicContact CG2-CD1 4.48Å; V433-L522 HydrophobicContact CG2-CD2 4.09Å; V433-L522 HydrophobicContact CG2-CG 4.49Å; V436-L522 HydrophobicContact CB-CD1 4.22Å; V436-L522 HydrophobicContact CG1-CD1 4.09Å; V436-L522 HydrophobicContact CG2-CD2 4.32Å; T519-L522 HydrophobicContact CG2-CD1 4.06Å; T519-L522 WeakPolarHBondContact O-CB 3.47Å; T519-L522 VanDerWaalsContact O-CG 3.26Å; T519-L522 WeakPolarHBondContact O-CG 3.4Å; T519-L522 PolarHBondContact O-N 2.85Å; L522-V524 HydrophobicContact CB-CG2 3.9Å; L522-V524 PolarHBondContact O-N 2.83Å
523	K	90.7	Very high	93	Very high	86 Å²	86	17.6 Å²	17.6	37%	0.374	9%	0.092	S	C	.	.	S	Bend	trans	-77.1	46.6	178.5	-67.2	-95.6	-174.7	177.3	0	112.3	E79 P429	E79-K523 IonicContact OE1-NZ 2.83Å; E79-K523 PolarHBondContact OE1-NZ 2.93Å; P429-K523 HydrophobicContact CB-CB 4.08Å; P429-K523 HydrophobicContact CB-CG 3.82Å
524	V	93.4	Very high	93	Very high	1 Å²	1	16 Å²	16	1%	0.006	8%	0.083	C	C	.	.	S	Bend	trans	-133.2	158.8	173.8	-67.4	0	0	0	0	109.8	A227 V228 G240 L281 V433 L522 S526	A227-V524 HydrophobicContact CB-CG1 4.44Å; V228-V524 HydrophobicContact CB-CG1 4Å; V228-V524 HydrophobicContact CG2-CG1 4.44Å; G240-V524 PolarHBondContact N-O 2.72Å; L281-V524 HydrophobicContact CD1-CG2 4.18Å; V433-V524 HydrophobicContact CG1-CG1 3.96Å; V433-V524 HydrophobicContact CG2-CG1 4.08Å; L522-V524 HydrophobicContact CB-CG2 3.9Å; L522-V524 PolarHBondContact O-N 2.83Å; V524-S526 PolarHBondContact O-N 3.35Å; V524-S526 PolarHBondContact O-OG 3.17Å
525	P	94.4	Very high	93.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.			trans	-62.6	125.4	173.3	-15.8	31	0	0	0	109	V231 K267 T270 L271 P286	V231-P525 HydrophobicContact CG2-CG 4.33Å; K267-P525 HydrophobicContact CG-CB 4.31Å; K267-P525 HydrophobicContact CG-CG 4.37Å; T270-P525 WeakPolarHBondContact OG1-CG 3.41Å; L271-P525 HydrophobicContact CB-CB 4.3Å; L271-P525 HydrophobicContact CD1-CB 4.4Å; P286-P525 HydrophobicContact CG-CB 4.39Å
526	S	91.7	Very high	93.2	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.007	6%	0.061	C	C	.	.			trans	-143.4	120.3	-170.3	43.6	0	0	0	0	111.1	G240 S241 V524	G240-S526 CarbonylContact C-O 3.41Å; G240-S526 WeakPolarHBondContact CA-OG 3.4Å; G240-S526 PolarHBondContact O-N 3.03Å; S241-S526 WeakPolarHBondContact CA-O 3.25Å; S241-S526 VanDerWaalsContact CB-O 3.25Å; S241-S526 WeakPolarHBondContact CB-O 3.06Å; S241-S526 PolarHBondContact N-O 2.97Å; V524-S526 PolarHBondContact O-N 3.35Å; V524-S526 PolarHBondContact O-OG 3.17Å
527	G	92.4	Very high	93.2	Very high	2 Å²	2	11.5 Å²	11.5	2%	0.021	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-102	148.6	168.4	0	0	0	0	0	111.5	G282	G282-G527 PolarHBondContact N-O 3.5Å; G282-G527 WeakPolarHBondContact O-CA 3.48Å; G282-G527 PolarHBondContact O-N 2.96Å
528	L	93.1	Very high	93.2	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.057	C	C	.	.			trans	-108.5	-13.4	-175	-175.5	61	0	0	0	113.9	F409 T516 F520 S532 V588 I631	F409-L528 HydrophobicContact CE1-CD1 4.03Å; F409-L528 HydrophobicContact CE1-CD2 3.61Å; F409-L528 HydrophobicContact CE1-CG 4.43Å; F409-L528 HydrophobicContact CE2-CD1 4.35Å; F409-L528 HydrophobicContact CZ-CD1 3.58Å; F409-L528 HydrophobicContact CZ-CD2 3.98Å; F409-L528 HydrophobicContact CZ-CG 4.43Å; T516-L528 HydrophobicContact CG2-CD1 3.68Å; F520-L528 HydrophobicContact CB-CD1 4.5Å; F520-L528 HydrophobicContact CD1-CD2 4.24Å; F520-L528 HydrophobicContact CD2-CB 4.08Å; F520-L528 HydrophobicContact CD2-CD1 4.32Å; F520-L528 HydrophobicContact CD2-CD2 4.45Å; F520-L528 HydrophobicContact CE1-CD2 4.06Å; F520-L528 HydrophobicContact CE2-CB 3.88Å; F520-L528 HydrophobicContact CE2-CD2 4.31Å; F520-L528 HydrophobicContact CG-CD1 4.32Å; F520-L528 HydrophobicContact CG-CD2 4.43Å; F520-L528 HydrophobicContact CZ-CB 4.37Å; F520-L528 HydrophobicContact CZ-CD2 4.12Å; L528-S532 WeakPolarHBondContact O-CB 3.48Å; L528-S532 PolarHBondContact O-N 3.32Å; L528-S532 PolarHBondContact O-OG 3.43Å; L528-V588 HydrophobicContact CD2-CG1 3.55Å; L528-V588 HydrophobicContact CG-CG1 4.18Å; L528-I631 HydrophobicContact CD2-CB 4.25Å; L528-I631 HydrophobicContact CD2-CG1 3.72Å; L528-I631 HydrophobicContact CD2-CG2 3.87Å
529	F	93.4	Very high	93.4	Very high	5 Å²	5	7.9 Å²	7.9	2%	0.022	5%	0.046	C	C	.	.	H	α-helix	trans	-56.7	-59.3	-177.9	-71.4	-86.4	0	0	0	112.4	I243 E284 F328 F337 S532 M533 L585 T589 M591 Y632	I243-F529 HydrophobicContact CD1-CE2 3.66Å; I243-F529 HydrophobicContact CD1-CZ 4.18Å; E284-F529 HydrophobicContact CB-CB 4.35Å; E284-F529 HydrophobicContact CB-CD2 4.38Å; F328-F529 HydrophobicContact CE1-CB 4.33Å; F328-F529 HydrophobicContact CE2-CD1 4.4Å; F328-F529 HydrophobicContact CZ-CB 3.83Å; F328-F529 AromaticContact CZ-CD1 3.75Å; F328-F529 HydrophobicContact CZ-CD1 3.75Å; F328-F529 HydrophobicContact CZ-CD2 4.38Å; F328-F529 HydrophobicContact CZ-CE1 4.47Å; F328-F529 AromaticContact CZ-CG 3.74Å; F328-F529 HydrophobicContact CZ-CG 3.74Å; F337-F529 AromaticContact CE2-CE1 3.87Å; F337-F529 HydrophobicContact CE2-CE1 3.87Å; F337-F529 AromaticContact CE2-CZ 3.48Å; F337-F529 HydrophobicContact CE2-CZ 3.48Å; F337-F529 VanDerWaalsContact CE2-CZ 3.48Å; F337-F529 AromaticContact CZ-CZ 3.8Å; F337-F529 HydrophobicContact CZ-CZ 3.8Å; F529-S532 PolarHBondContact O-N 3.1Å; F529-M533 WeakPolarHBondContact O-CG 3.5Å; F529-M533 PolarHBondContact O-N 3.06Å; F529-L585 HydrophobicContact CB-CD1 4.46Å; F529-L585 HydrophobicContact CD1-CD1 3.69Å; F529-L585 HydrophobicContact CD1-CD2 3.8Å; F529-L585 HydrophobicContact CD1-CG 4.3Å; F529-L585 HydrophobicContact CE1-CD1 4.3Å; F529-L585 HydrophobicContact CG-CD1 4.38Å; F529-T589 HydrophobicContact CE1-CG2 4.33Å; F529-M591 HydrophobicContact CE1-SD 4.27Å; F529-Y632 WeakPolarHBondContact CE2-OH 3.39Å; F529-Y632 HydrophobicContact CZ-CE2 4.31Å; F529-Y632 VanDerWaalsContact CZ-OH 3.3Å; F529-Y632 WeakPolarHBondContact CZ-OH 3.3Å
530	I	92.4	Very high	93.5	Very high	8 Å²	8	7.9 Å²	7.9	4%	0.041	5%	0.046	C	C	.	.	H	α-helix	trans	-61.8	-48.3	-175.8	-61.7	-68.1	0	0	0	112.4	E284 F379 T454 I458 S532 M533 A534	E284-I530 HydrophobicContact CG-CD1 3.96Å; E284-I530 HydrophobicContact CG-CG1 3.69Å; F379-I530 HydrophobicContact CE2-CD1 4.41Å; T454-I530 HydrophobicContact CG2-CG2 3.63Å; I458-I530 HydrophobicContact CD1-CG2 4.01Å; I530-S532 VanDerWaalsContact C-N 3.31Å; I530-S532 PolarHBondContact O-N 3.19Å; I530-M533 HydrophobicContact CD1-CE 3.33Å; I530-M533 HydrophobicContact CG1-CE 4.24Å; I530-M533 PolarHBondContact O-N 3.48Å; I530-A534 WeakPolarHBondContact O-CB 3.42Å; I530-A534 PolarHBondContact O-N 3.02Å
531	P	94.1	Very high	93.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-58.1	-39.7	175.9	-27.4	35.6	0	0	0	114	T516 A534 I535	T516-P531 HydrophobicContact CG2-CB 3.72Å; P531-A534 PolarHBondContact O-N 3.18Å; P531-I535 WeakPolarHBondContact O-CG1 3.36Å; P531-I535 PolarHBondContact O-N 2.96Å; P531-I535 VanDerWaalsContact O-N 3.16Å
532	S	94.7	Very high	93.7	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-70.4	-40.1	179.6	-53	0	0	0	0	111.8	L528 F529 I530 G536 C584	L528-S532 WeakPolarHBondContact O-CB 3.48Å; L528-S532 PolarHBondContact O-N 3.32Å; L528-S532 PolarHBondContact O-OG 3.43Å; F529-S532 PolarHBondContact O-N 3.1Å; I530-S532 VanDerWaalsContact C-N 3.31Å; I530-S532 PolarHBondContact O-N 3.19Å; S532-G536 PolarHBondContact O-N 3.28Å; S532-C584 WeakPolarHBondContact O-CB 3.34Å
533	M	94.1	Very high	93.8	Very high	9 Å²	9	9.9 Å²	9.9	4%	0.044	5%	0.051	C	C	.	.	H	α-helix	trans	-63	-40.8	173.1	-72.5	-170.4	-56.5	0	0	111.6	F328 I458 F529 I530 G536 A537 A581 L585	F328-M533 HydrophobicContact CE1-CE 3.94Å; I458-M533 HydrophobicContact CD1-CB 4.02Å; F529-M533 WeakPolarHBondContact O-CG 3.5Å; F529-M533 PolarHBondContact O-N 3.06Å; I530-M533 HydrophobicContact CD1-CE 3.33Å; I530-M533 HydrophobicContact CG1-CE 4.24Å; I530-M533 PolarHBondContact O-N 3.48Å; M533-G536 CarbonylContact O-C 2.98Å; M533-G536 PolarHBondContact O-N 3.4Å; M533-A537 VanDerWaalsContact O-CB 3.31Å; M533-A537 WeakPolarHBondContact O-CB 3.37Å; M533-A537 PolarHBondContact O-N 3.22Å; M533-A581 HydrophobicContact CB-CB 4.16Å; M533-A581 WeakPolarHBondContact O-CB 3.31Å; M533-L585 HydrophobicContact CG-CB 3.98Å; M533-L585 HydrophobicContact CG-CD2 3.58Å; M533-L585 HydrophobicContact CG-CG 4.29Å; M533-L585 HydrophobicContact SD-CD2 3.76Å
534	A	94.5	Very high	93.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-63.3	-43.4	178.6	0	0	0	0	0	112.8	T454 I458 I530 P531 G536 A537 I538	T454-A534 HydrophobicContact CG2-CB 3.39Å; I458-A534 HydrophobicContact CD1-CB 4.06Å; I458-A534 HydrophobicContact CG1-CB 4Å; I530-A534 WeakPolarHBondContact O-CB 3.42Å; I530-A534 PolarHBondContact O-N 3.02Å; P531-A534 PolarHBondContact O-N 3.18Å; A534-G536 VanDerWaalsContact C-N 3.28Å; A534-G536 PolarHBondContact O-N 2.92Å; A534-A537 PolarHBondContact O-N 3.34Å; A534-I538 VanDerWaalsContact O-CG1 3.24Å; A534-I538 WeakPolarHBondContact O-CG1 3.39Å; A534-I538 PolarHBondContact O-N 3.3Å
535	I	95.9	Very high	93.4	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-59.2	-44	175.5	-68.9	169.6	0	0	0	110.4	W405 L509 K512 I513 P531 A539	W405-I535 HydrophobicContact CD2-CG2 4.4Å; W405-I535 HydrophobicContact CH2-CD1 4.18Å; W405-I535 HydrophobicContact CZ2-CD1 3.4Å; L509-I535 HydrophobicContact CD1-CB 4.44Å; L509-I535 HydrophobicContact CD1-CG2 3.77Å; L509-I535 WeakPolarHBondContact CD1-O 3.5Å; K512-I535 HydrophobicContact CB-CD1 4.39Å; K512-I535 HydrophobicContact CB-CG1 3.9Å; I513-I535 HydrophobicContact CD1-CG2 4.39Å; I513-I535 HydrophobicContact CG1-CD1 4.15Å; I513-I535 HydrophobicContact CG1-CG1 4.45Å; I513-I535 HydrophobicContact CG1-CG2 3.92Å; P531-I535 WeakPolarHBondContact O-CG1 3.36Å; P531-I535 PolarHBondContact O-N 2.96Å; P531-I535 VanDerWaalsContact O-N 3.16Å; I535-A539 WeakPolarHBondContact O-CB 3.21Å; I535-A539 PolarHBondContact O-N 3.42Å; I535-A539 VanDerWaalsContact O-N 3.14Å
536	G	96.2	Very high	93.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.9	-39.3	175.2	0	0	0	0	0	114.1	S532 M533 A534 A539 G540 G580 C584	S532-G536 PolarHBondContact O-N 3.28Å; M533-G536 CarbonylContact O-C 2.98Å; M533-G536 PolarHBondContact O-N 3.4Å; A534-G536 VanDerWaalsContact C-N 3.28Å; A534-G536 PolarHBondContact O-N 2.92Å; G536-A539 PolarHBondContact O-N 3.4Å; G536-G540 PolarHBondContact O-N 3.31Å; G536-G580 VanDerWaalsContact CA-C 3.47Å; G536-G580 VanDerWaalsContact CA-O 3.24Å; G536-G580 WeakPolarHBondContact CA-O 3.47Å; G536-G580 CarbonylContact O-C 3.51Å; G536-G580 WeakPolarHBondContact O-CA 3.44Å; G536-C584 WeakPolarHBondContact CA-SG 3.18Å
537	A	94.9	Very high	92.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.9	-43	178.2	0	0	0	0	0	111.6	L461 F462 M533 A534 G540 R541 A577 A581	L461-A537 HydrophobicContact CB-CB 4.3Å; L461-A537 HydrophobicContact CD1-CB 3.75Å; F462-A537 HydrophobicContact CE1-CB 3.85Å; M533-A537 VanDerWaalsContact O-CB 3.31Å; M533-A537 WeakPolarHBondContact O-CB 3.37Å; M533-A537 PolarHBondContact O-N 3.22Å; A534-A537 PolarHBondContact O-N 3.34Å; A537-G540 PolarHBondContact O-N 2.8Å; A537-R541 WeakPolarHBondContact O-CB 3.34Å; A537-R541 PolarHBondContact O-N 3.22Å; A537-A577 WeakPolarHBondContact CA-O 3.47Å; A537-A581 HydrophobicContact CB-CB 4.15Å
538	I	95	Very high	92.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.8	-49.4	176.7	-64.5	165.2	0	0	0	110	L457 L461 L505 A508 L509 A534 G540 R541 I542	L457-I538 HydrophobicContact CD2-CD1 4.17Å; L461-I538 HydrophobicContact CD1-CG1 3.66Å; L505-I538 HydrophobicContact CB-CG2 4.1Å; L505-I538 HydrophobicContact CD2-CG1 4.48Å; L505-I538 HydrophobicContact CD2-CG2 4.27Å; L505-I538 WeakPolarHBondContact O-CG2 3.27Å; A508-I538 HydrophobicContact CB-CD1 4.39Å; L509-I538 HydrophobicContact CB-CG2 3.87Å; L509-I538 HydrophobicContact CD1-CB 4.3Å; L509-I538 HydrophobicContact CD1-CG2 4.29Å; A534-I538 VanDerWaalsContact O-CG1 3.24Å; A534-I538 WeakPolarHBondContact O-CG1 3.39Å; A534-I538 PolarHBondContact O-N 3.3Å; I538-G540 VanDerWaalsContact C-N 3.34Å; I538-G540 PolarHBondContact O-N 3.32Å; I538-R541 PolarHBondContact O-N 2.89Å; I538-I542 HydrophobicContact CG2-CD1 3.83Å; I538-I542 WeakPolarHBondContact O-CD1 3.35Å; I538-I542 VanDerWaalsContact O-CG1 3.26Å; I538-I542 WeakPolarHBondContact O-CG1 3.38Å; I538-I542 PolarHBondContact O-N 2.82Å
539	A	95.9	Very high	91.7	Very high	9 Å²	9	11.7 Å²	11.7	7%	0.074	7%	0.069	C	C	.	.	H	α-helix	trans	-61.4	-43	178.2	0	0	0	0	0	111.9	F401 L509 I535 G536 I542 V543	F401-A539 HydrophobicContact CD1-CB 4.1Å; F401-A539 HydrophobicContact CE1-CB 3.51Å; F401-A539 HydrophobicContact CZ-CB 4.05Å; L509-A539 HydrophobicContact CD1-CB 4.43Å; L509-A539 HydrophobicContact CD2-CB 4.46Å; I535-A539 WeakPolarHBondContact O-CB 3.21Å; I535-A539 PolarHBondContact O-N 3.42Å; I535-A539 VanDerWaalsContact O-N 3.14Å; G536-A539 PolarHBondContact O-N 3.4Å; A539-I542 PolarHBondContact O-N 3.46Å; A539-V543 WeakPolarHBondContact O-CG2 3.31Å; A539-V543 PolarHBondContact O-N 2.9Å
540	G	95.3	Very high	91.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.9	-46.2	176	0	0	0	0	0	112.4	G536 A537 I538 I542 V543 G544 Y576	G536-G540 PolarHBondContact O-N 3.31Å; A537-G540 PolarHBondContact O-N 2.8Å; I538-G540 VanDerWaalsContact C-N 3.34Å; I538-G540 PolarHBondContact O-N 3.32Å; G540-I542 PolarHBondContact O-N 2.88Å; G540-V543 PolarHBondContact O-N 3.28Å; G540-G544 PolarHBondContact O-N 3.33Å; G540-Y576 VanDerWaalsContact CA-O 3.27Å; G540-Y576 WeakPolarHBondContact CA-O 3.28Å; G540-Y576 WeakPolarHBondContact O-CB 3Å
541	R	92.3	Very high	90.6	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.015	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-40.5	177.8	-169.4	66.8	175.2	-147.2	5	112	L461 T463 A537 I538 G544 I545 A577	L461-R541 HydrophobicContact CD2-CB 3.76Å; L461-R541 HydrophobicContact CD2-CG 3.81Å; L461-R541 PolarHBondContact O-NH1 3.11Å; T463-R541 PolarHBondContact O-NH1 3.47Å; T463-R541 PolarHBondContact O-NH2 3.48Å; A537-R541 WeakPolarHBondContact O-CB 3.34Å; A537-R541 PolarHBondContact O-N 3.22Å; I538-R541 PolarHBondContact O-N 2.89Å; R541-G544 PolarHBondContact O-N 3.32Å; R541-I545 HydrophobicContact CG-CD1 4.04Å; R541-I545 WeakPolarHBondContact O-CG1 3.13Å; R541-I545 PolarHBondContact O-N 3.36Å; R541-A577 HydrophobicContact CB-CB 4.02Å
542	I	92.2	Very high	89.7	Confident	29 Å²	29	18.7 Å²	18.7	15%	0.149	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-45.8	175.4	-68.2	163	0	0	0	110.5	L505 I538 A539 G540 A546	L505-I542 HydrophobicContact CB-CD1 4.26Å; L505-I542 HydrophobicContact CB-CG1 4.33Å; I538-I542 HydrophobicContact CG2-CD1 3.83Å; I538-I542 WeakPolarHBondContact O-CD1 3.35Å; I538-I542 VanDerWaalsContact O-CG1 3.26Å; I538-I542 WeakPolarHBondContact O-CG1 3.38Å; I538-I542 PolarHBondContact O-N 2.82Å; A539-I542 PolarHBondContact O-N 3.46Å; G540-I542 PolarHBondContact O-N 2.88Å; I542-A546 WeakPolarHBondContact O-CB 3.31Å; I542-A546 PolarHBondContact O-N 2.75Å
543	V	93.1	Very high	88.9	Confident	53 Å²	53	25.1 Å²	25.1	32%	0.321	13%	0.127	S	C	.	.	H	α-helix	trans	-66.8	-39.3	177.3	173.8	0	0	0	0	111.5	P394 L398 A539 G540 A546 M547 Y576	P394-V543 HydrophobicContact CB-CG1 4.38Å; L398-V543 HydrophobicContact CD2-CB 4.17Å; L398-V543 HydrophobicContact CD2-CG2 3.89Å; A539-V543 WeakPolarHBondContact O-CG2 3.31Å; A539-V543 PolarHBondContact O-N 2.9Å; G540-V543 PolarHBondContact O-N 3.28Å; V543-A546 PolarHBondContact O-N 2.95Å; V543-M547 WeakPolarHBondContact O-CB 3.35Å; V543-M547 PolarHBondContact O-N 3.49Å; V543-Y576 HydrophobicContact CG1-CD1 3.99Å; V543-Y576 HydrophobicContact CG1-CE1 4.36Å
544	G	89.7	Confident	88.2	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-49.7	177.4	0	0	0	0	0	112.5	G540 R541 A546 M547 E548	G540-G544 PolarHBondContact O-N 3.33Å; R541-G544 PolarHBondContact O-N 3.32Å; G544-A546 VanDerWaalsContact C-N 3.33Å; G544-A546 PolarHBondContact O-N 3.19Å; G544-M547 PolarHBondContact O-N 3.32Å; G544-E548 WeakPolarHBondContact O-CB 3.39Å; G544-E548 PolarHBondContact O-N 3.06Å
545	I	86.6	Confident	87	Confident	6 Å²	6	30.4 Å²	30.4	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-41.1	175.5	-65.2	170.3	0	0	0	110.3	L473 V498 M502 R541 M547 E548 Q549 P573	L473-I545 HydrophobicContact CD2-CD1 4.21Å; V498-I545 HydrophobicContact CG1-CG2 4.27Å; M502-I545 HydrophobicContact SD-CG2 3.99Å; R541-I545 HydrophobicContact CG-CD1 4.04Å; R541-I545 WeakPolarHBondContact O-CG1 3.13Å; R541-I545 PolarHBondContact O-N 3.36Å; I545-M547 VanDerWaalsContact C-N 3.3Å; I545-M547 PolarHBondContact O-N 3.18Å; I545-E548 PolarHBondContact O-N 3.17Å; I545-Q549 HydrophobicContact CG2-CG 4.36Å; I545-Q549 VanDerWaalsContact O-CG 3.29Å; I545-Q549 WeakPolarHBondContact O-CG 3.25Å; I545-Q549 PolarHBondContact O-N 3.44Å; I545-P573 HydrophobicContact CG1-CB 4.09Å; I545-P573 HydrophobicContact CG1-CG 4.32Å
546	A	87.6	Confident	85.7	Confident	50 Å²	50	37.1 Å²	37.1	41%	0.413	19%	0.188	S	C	.	.	H	α-helix	trans	-61.8	-38.9	176.8	0	0	0	0	0	112.4	I542 V543 G544 L550	I542-A546 WeakPolarHBondContact O-CB 3.31Å; I542-A546 PolarHBondContact O-N 2.75Å; V543-A546 PolarHBondContact O-N 2.95Å; G544-A546 VanDerWaalsContact C-N 3.33Å; G544-A546 PolarHBondContact O-N 3.19Å; A546-L550 WeakPolarHBondContact O-CB 3.49Å; A546-L550 PolarHBondContact O-N 2.78Å
547	M	85.8	Confident	84.8	Confident	28 Å²	28	43 Å²	43	14%	0.138	21%	0.21	C	C	.	.	H	α-helix	trans	-71.3	-41	178.8	-167.8	62	-170.5	0	0	111.9	F390 V543 G544 I545 L550 A551 F560 I571 Y576	F390-M547 HydrophobicContact CD2-CE 3.9Å; F390-M547 HydrophobicContact CE2-CE 3.7Å; V543-M547 WeakPolarHBondContact O-CB 3.35Å; V543-M547 PolarHBondContact O-N 3.49Å; G544-M547 PolarHBondContact O-N 3.32Å; I545-M547 VanDerWaalsContact C-N 3.3Å; I545-M547 PolarHBondContact O-N 3.18Å; M547-L550 PolarHBondContact O-N 3.28Å; M547-L550 HydrophobicContact SD-CD2 4.13Å; M547-A551 PolarHBondContact O-N 3.37Å; M547-F560 HydrophobicContact CE-CE1 3.58Å; M547-F560 HydrophobicContact CE-CZ 3.55Å; M547-I571 HydrophobicContact CB-CG2 4.45Å; M547-I571 HydrophobicContact CE-CD1 4.5Å; M547-I571 HydrophobicContact CG-CD1 3.84Å; M547-I571 HydrophobicContact CG-CG2 4.47Å; M547-I571 WeakPolarHBondContact O-CD1 3.38Å; M547-Y576 HydrophobicContact CB-CE1 4.47Å
548	E	81.2	Confident	83.9	Confident	22 Å²	22	50.8 Å²	50.8	10%	0.103	24%	0.244	C	C	.	.	H	α-helix	trans	-58.1	-49.2	172.9	-177.9	-173.6	-170.3	0	0	111.2	G544 I545 L550 A551 Y552 I571 P573	G544-E548 WeakPolarHBondContact O-CB 3.39Å; G544-E548 PolarHBondContact O-N 3.06Å; I545-E548 PolarHBondContact O-N 3.17Å; E548-L550 VanDerWaalsContact C-N 3.33Å; E548-L550 PolarHBondContact O-N 3.45Å; E548-A551 PolarHBondContact O-N 3.05Å; E548-Y552 PolarHBondContact O-N 3.48Å; E548-I571 HydrophobicContact CB-CB 4.49Å; E548-I571 HydrophobicContact CB-CG2 4.29Å; E548-P573 HydrophobicContact CB-CG 4.44Å; E548-P573 WeakPolarHBondContact OE2-CG 3.47Å
549	Q	81.3	Confident	82.9	Confident	23 Å²	23	54.1 Å²	54.1	11%	0.107	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-36.2	177.2	-64.6	-57.3	-60.2	0	0	112.2	A494 I545 Y552 Y553	A494-Q549 HydrophobicContact CB-CG 4.47Å; I545-Q549 HydrophobicContact CG2-CG 4.36Å; I545-Q549 VanDerWaalsContact O-CG 3.29Å; I545-Q549 WeakPolarHBondContact O-CG 3.25Å; I545-Q549 PolarHBondContact O-N 3.44Å; Q549-Y552 PolarHBondContact O-N 3Å; Q549-Y553 VanDerWaalsContact O-CD2 3.22Å; Q549-Y553 WeakPolarHBondContact O-CD2 3.35Å; Q549-Y553 PolarHBondContact O-N 3.29Å; Q549-Y553 VanDerWaalsContact O-N 3.07Å
550	L	82.9	Confident	81.8	Confident	69 Å²	69	54 Å²	54	36%	0.361	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-44.2	175.9	-175.9	71.4	0	0	0	111.6	A546 M547 E548 Y552 H554 W557 F560	A546-L550 WeakPolarHBondContact O-CB 3.49Å; A546-L550 PolarHBondContact O-N 2.78Å; M547-L550 PolarHBondContact O-N 3.28Å; M547-L550 HydrophobicContact SD-CD2 4.13Å; E548-L550 VanDerWaalsContact C-N 3.33Å; E548-L550 PolarHBondContact O-N 3.45Å; L550-Y552 VanDerWaalsContact C-N 3.3Å; L550-Y552 PolarHBondContact O-N 3.42Å; L550-H554 WeakPolarHBondContact O-CB 2.98Å; L550-H554 PolarHBondContact O-N 2.95Å; L550-W557 HydrophobicContact CD1-CZ3 4.43Å; L550-F560 HydrophobicContact CD2-CZ 4.41Å; L550-F560 HydrophobicContact CG-CE2 4.48Å
551	A	79.1	Confident	80.6	Confident	8 Å²	8	60.8 Å²	60.8	7%	0.066	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-35	177.2	0	0	0	0	0	112.1	M547 E548 H555 F560 I571	M547-A551 PolarHBondContact O-N 3.37Å; E548-A551 PolarHBondContact O-N 3.05Å; A551-H555 WeakPolarHBondContact O-CA 3.44Å; A551-H555 PolarHBondContact O-N 3.15Å; A551-F560 HydrophobicContact CB-CD1 3.8Å; A551-F560 HydrophobicContact CB-CE1 3.83Å; A551-F560 HydrophobicContact CB-CG 4.23Å; A551-F560 HydrophobicContact CB-CZ 4.28Å; A551-I571 HydrophobicContact CB-CD1 3.42Å; A551-I571 VanDerWaalsContact CB-CD1 3.42Å
552	Y	76.1	Confident	79.4	Confident	82 Å²	82	68.5 Å²	68.5	32%	0.322	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-52.8	175.1	-176.8	-113	0	0	0	112.9	N491 P493 E548 Q549 L550 H554	N491-Y552 HydrophobicContact CB-CD2 3.56Å; N491-Y552 HydrophobicContact CB-CE2 3.57Å; N491-Y552 WeakPolarHBondContact O-CE2 3.43Å; N491-Y552 PolarHBondContact O-OH 3.06Å; P493-Y552 HydrophobicContact CB-CE1 4.11Å; E548-Y552 PolarHBondContact O-N 3.48Å; Q549-Y552 PolarHBondContact O-N 3Å; L550-Y552 VanDerWaalsContact C-N 3.3Å; L550-Y552 PolarHBondContact O-N 3.42Å; Y552-H554 VanDerWaalsContact C-N 3.33Å; Y552-H554 PolarHBondContact O-N 3.48Å
553	Y	76.9	Confident	78.3	Confident	135 Å²	135	72.6 Å²	72.6	53%	0.529	34%	0.339	S	S	.	.	H	α-helix	trans	-71.2	-26.1	-177.5	-76.5	-67.3	0	0	0	113.7	Q549	Q549-Y553 VanDerWaalsContact O-CD2 3.22Å; Q549-Y553 WeakPolarHBondContact O-CD2 3.35Å; Q549-Y553 PolarHBondContact O-N 3.29Å; Q549-Y553 VanDerWaalsContact O-N 3.07Å
554	H	79.6	Confident	77.1	Confident	77 Å²	77	70.5 Å²	70.5	36%	0.356	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	42	-177.8	-66.5	-67.3	0	0	0	113.1	L550 Y552 D556 W557	L550-H554 WeakPolarHBondContact O-CB 2.98Å; L550-H554 PolarHBondContact O-N 2.95Å; Y552-H554 VanDerWaalsContact C-N 3.33Å; Y552-H554 PolarHBondContact O-N 3.48Å; H554-D556 PolarHBondContact O-N 3.15Å; H554-D556 VanDerWaalsContact O-N 3.1Å; H554-W557 HydrophobicContact CB-CB 4.49Å; H554-W557 HydrophobicContact CB-CD2 3.75Å; H554-W557 HydrophobicContact CB-CE3 3.78Å; H554-W557 HydrophobicContact CB-CG 4.07Å; H554-W557 HydrophobicContact CB-CZ3 4.28Å; H554-W557 AromaticContact ND1-CE2 3.89Å; H554-W557 WeakPolarHBondContact O-CB 2.97Å; H554-W557 PolarHBondContact O-N 3.03Å
555	H	70.3	Confident	75.7	Confident	43 Å²	43	78 Å²	78	20%	0.199	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.1	177.5	-161.5	-64.4	0	0	0	113.4	A551 W557 C564 V566	A551-H555 WeakPolarHBondContact O-CA 3.44Å; A551-H555 PolarHBondContact O-N 3.15Å; H555-W557 VanDerWaalsContact C-N 3.34Å; H555-C564 PolarHBondContact CE1-O 3.48Å; H555-C564 PolarHBondContact NE2-O 3.06Å; H555-V566 VanDerWaalsContact CE1-CG2 3.49Å; H555-V566 WeakPolarHBondContact CE1-CG2 3.23Å
556	D	68.4	Low	74.1	Confident	142 Å²	142	83.7 Å²	83.7	76%	0.759	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-11.7	179.1	-68.5	-34.6	0	0	0	114.3	H554	H554-D556 PolarHBondContact O-N 3.15Å; H554-D556 VanDerWaalsContact O-N 3.1Å
557	W	77.8	Confident	72.4	Confident	123 Å²	123	83 Å²	83	47%	0.466	39%	0.394	S	S	.	.	S	Bend	trans	-67.2	142.9	177.4	-85.4	-3.2	0	0	0	111.4	L550 H554 H555 L559 F560 K561	L550-W557 HydrophobicContact CD1-CZ3 4.43Å; H554-W557 HydrophobicContact CB-CB 4.49Å; H554-W557 HydrophobicContact CB-CD2 3.75Å; H554-W557 HydrophobicContact CB-CE3 3.78Å; H554-W557 HydrophobicContact CB-CG 4.07Å; H554-W557 HydrophobicContact CB-CZ3 4.28Å; H554-W557 AromaticContact ND1-CE2 3.89Å; H554-W557 WeakPolarHBondContact O-CB 2.97Å; H554-W557 PolarHBondContact O-N 3.03Å; H555-W557 VanDerWaalsContact C-N 3.34Å; W557-L559 PolarHBondContact O-N 2.67Å; W557-F560 HydrophobicContact CB-CD2 4.22Å; W557-F560 HydrophobicContact CE3-CD2 4.45Å; W557-F560 HydrophobicContact CE3-CE2 4.11Å; W557-F560 PolarHBondContact O-N 3.12Å; W557-K561 VanDerWaalsContact O-CB 3.3Å; W557-K561 WeakPolarHBondContact O-CB 3.41Å; W557-K561 PolarHBondContact O-N 2.75Å
558	F	74.3	Confident	71	Confident	164 Å²	164	83.9 Å²	83.9	72%	0.719	41%	0.406	S	S	*	.	H	α-helix	trans	-54.2	-28.3	-177.3	75.6	-86.3	0	0	0	113.6
559	L	73.9	Confident	70.1	Confident	70 Å²	70	86.4 Å²	86.4	37%	0.366	42%	0.42	S	S	.	.	H	α-helix	trans	-68	-38.6	176.6	-85	146.4	0	0	0	113.5	F390 W557	F390-L559 HydrophobicContact CB-CD2 4.12Å; W557-L559 PolarHBondContact O-N 2.67Å
560	F	74.3	Confident	69.6	Low	7 Å²	7	85.9 Å²	85.9	3%	0.031	42%	0.419	C	S	.	.	H	α-helix	trans	-100	-27.3	-173.5	-61.2	-62.6	0	0	0	112.5	F390 M547 L550 A551 W557 E562 W563 C564	F390-F560 HydrophobicContact CD2-CE1 4.37Å; F390-F560 HydrophobicContact CE2-CD1 4.36Å; F390-F560 AromaticContact CE2-CE1 3.81Å; F390-F560 HydrophobicContact CE2-CE1 3.81Å; F390-F560 HydrophobicContact CZ-CD1 4.36Å; F390-F560 HydrophobicContact CZ-CE1 4.25Å; M547-F560 HydrophobicContact CE-CE1 3.58Å; M547-F560 HydrophobicContact CE-CZ 3.55Å; L550-F560 HydrophobicContact CD2-CZ 4.41Å; L550-F560 HydrophobicContact CG-CE2 4.48Å; A551-F560 HydrophobicContact CB-CD1 3.8Å; A551-F560 HydrophobicContact CB-CE1 3.83Å; A551-F560 HydrophobicContact CB-CG 4.23Å; A551-F560 HydrophobicContact CB-CZ 4.28Å; W557-F560 HydrophobicContact CB-CD2 4.22Å; W557-F560 HydrophobicContact CE3-CD2 4.45Å; W557-F560 HydrophobicContact CE3-CE2 4.11Å; W557-F560 PolarHBondContact O-N 3.12Å; F560-E562 VanDerWaalsContact C-N 3.34Å; F560-E562 PolarHBondContact O-N 2.93Å; F560-W563 PolarHBondContact O-N 2.98Å; F560-C564 WeakPolarHBondContact O-CB 3.39Å; F560-C564 PolarHBondContact O-N 3.48Å
561	K	69	Low	69.5	Low	142 Å²	142	83.1 Å²	83.1	62%	0.617	40%	0.404	S	S	*	.	H	α-helix	trans	-63.4	-31.4	-174.9	-174.5	175.4	-179.3	175.1	0	115.1	W557	W557-K561 VanDerWaalsContact O-CB 3.3Å; W557-K561 WeakPolarHBondContact O-CB 3.41Å; W557-K561 PolarHBondContact O-N 2.75Å
562	E	67.1	Low	69.8	Low	166 Å²	166	83.3 Å²	83.3	78%	0.776	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-19	-179	-96.8	-178.1	166	0	0	113.8	F560	F560-E562 VanDerWaalsContact C-N 3.34Å; F560-E562 PolarHBondContact O-N 2.93Å
563	W	69.1	Low	70.3	Confident	114 Å²	114	79.7 Å²	79.7	43%	0.432	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-25.2	-163.3	-56.5	71.4	0	0	0	112.7	Y388 F390 F560	Y388-W563 HydrophobicContact CD1-CD2 4.48Å; Y388-W563 AromaticContact CD1-CE3 3.4Å; Y388-W563 HydrophobicContact CD1-CE3 3.4Å; Y388-W563 AromaticContact CD1-CZ3 3.96Å; Y388-W563 HydrophobicContact CD1-CZ3 3.96Å; Y388-W563 HydrophobicContact CE1-CE3 4.06Å; Y388-W563 AromaticContact CG-CE3 3.92Å; Y388-W563 HydrophobicContact CG-CE3 3.92Å; Y388-W563 PolarHBondContact OH-O 3.36Å; F390-W563 HydrophobicContact CE1-CB 4.17Å; F390-W563 HydrophobicContact CE1-CG 4.48Å; F560-W563 PolarHBondContact O-N 2.98Å
564	C	69.3	Low	70.7	Confident	9 Å²	9	73.3 Å²	73.3	6%	0.061	37%	0.366	C	S	.	.			trans	-103.8	113	173.1	-54.5	0	0	0	0	109.3	H555 F560 C570	H555-C564 PolarHBondContact CE1-O 3.48Å; H555-C564 PolarHBondContact NE2-O 3.06Å; F560-C564 WeakPolarHBondContact O-CB 3.39Å; F560-C564 PolarHBondContact O-N 3.48Å; C564-C570 WeakPolarHBondContact CA-SG 3.39Å; C564-C570 HydrophobicContact CB-CB 3.54Å; C564-C570 WeakPolarHBondContact CB-SG 3.27Å; C564-C570 WeakPolarHBondContact SG-CB 3.44Å; C564-C570 CovalentContact SG-SG 2.02Å; C564-C570 PolarHBondContact SG-SG 2.94Å
565	E	59.3	Low	71.2	Confident	158 Å²	158	69.9 Å²	69.9	74%	0.738	35%	0.351	S	S	*	.			trans	-77.6	139.3	167.6	-70.9	-171.4	165.3	0	0	110	G567 A568	E565-G567 PolarHBondContact O-N 3.45Å; E565-A568 HydrophobicContact CB-CB 4.5Å; E565-A568 PolarHBondContact O-N 2.99Å; E565-A568 VanDerWaalsContact O-N 3.15Å
566	V	52.9	Low	72.3	Confident	126 Å²	126	67.9 Å²	67.9	76%	0.764	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	111.5	178.1	-176.5	0	0	0	0	108.8	H555	H555-V566 VanDerWaalsContact CE1-CG2 3.49Å; H555-V566 WeakPolarHBondContact CE1-CG2 3.23Å
567	G	52.7	Low	73.5	Confident	36 Å²	36	61.1 Å²	61.1	37%	0.371	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.4	5.9	-179.9	0	0	0	0	0	115.6	P490 E565	P490-G567 WeakPolarHBondContact CD-O 3.48Å; P490-G567 VanDerWaalsContact CG-O 3.25Å; P490-G567 WeakPolarHBondContact CG-O 3.22Å; E565-G567 PolarHBondContact O-N 3.45Å
568	A	55.5	Low	74.1	Confident	45 Å²	45	55.3 Å²	55.3	37%	0.372	28%	0.283	S	S	.	.	S	Bend	trans	-113.7	147.3	171.5	0	0	0	0	0	112	E565 C570	E565-A568 HydrophobicContact CB-CB 4.5Å; E565-A568 PolarHBondContact O-N 2.99Å; E565-A568 VanDerWaalsContact O-N 3.15Å; A568-C570 PolarHBondContact O-N 3.06Å
569	D	61.6	Low	75.1	Confident	75 Å²	75	47.5 Å²	47.5	40%	0.401	25%	0.249	S	C	.	.			trans	-65	101.7	175.2	-70	-30.6	0	0	0	109.5	T385 P490	T385-D569 HydrophobicContact CG2-CB 4.03Å; T385-D569 WeakPolarHBondContact CG2-O 3.47Å; P490-D569 WeakPolarHBondContact CB-OD1 3.27Å
570	C	72.1	Confident	76.2	Confident	13 Å²	13	44.2 Å²	44.2	9%	0.088	23%	0.232	C	C	.	.			trans	-88.3	-35	-176.8	-167.9	0	0	0	0	113.4	C564 A568	C564-C570 WeakPolarHBondContact CA-SG 3.39Å; C564-C570 HydrophobicContact CB-CB 3.54Å; C564-C570 WeakPolarHBondContact CB-SG 3.27Å; C564-C570 WeakPolarHBondContact SG-CB 3.44Å; C564-C570 CovalentContact SG-SG 2.02Å; C564-C570 PolarHBondContact SG-SG 2.94Å; A568-C570 PolarHBondContact O-N 3.06Å
571	I	81.3	Confident	77.1	Confident	11 Å²	11	44 Å²	44	6%	0.056	23%	0.232	C	C	.	.			trans	-127.6	134.5	-177.6	-68.7	155.3	0	0	0	108.3	M547 E548 A551 P573 Y576	M547-I571 HydrophobicContact CB-CG2 4.45Å; M547-I571 HydrophobicContact CE-CD1 4.5Å; M547-I571 HydrophobicContact CG-CD1 3.84Å; M547-I571 HydrophobicContact CG-CG2 4.47Å; M547-I571 WeakPolarHBondContact O-CD1 3.38Å; E548-I571 HydrophobicContact CB-CB 4.49Å; E548-I571 HydrophobicContact CB-CG2 4.29Å; A551-I571 HydrophobicContact CB-CD1 3.42Å; A551-I571 VanDerWaalsContact CB-CD1 3.42Å; I571-P573 WeakPolarHBondContact O-CD 3.15Å; I571-Y576 HydrophobicContact CG2-CD2 4.46Å; I571-Y576 HydrophobicContact CG2-CE2 3.8Å
572	T	84.2	Confident	78.4	Confident	12 Å²	12	37.3 Å²	37.3	7%	0.074	20%	0.203	C	C	.	.			trans	-113	103.3	-177.2	-54.5	0	0	0	0	110.2	Y383 T385 D464 G574 L575	Y383-T572 HydrophobicContact CD1-CG2 3.51Å; Y383-T572 HydrophobicContact CE1-CG2 3.83Å; T385-T572 PolarHBondContact OG1-OG1 3.09Å; D464-T572 WeakPolarHBondContact OD1-CG2 3.45Å; D464-T572 VanDerWaalsContact OD2-CG2 3.27Å; D464-T572 WeakPolarHBondContact OD2-CG2 3.15Å; T572-G574 PolarHBondContact O-N 2.71Å; T572-G574 VanDerWaalsContact O-N 3.17Å; T572-L575 WeakPolarHBondContact O-CB 3.43Å; T572-L575 PolarHBondContact O-N 3.4Å
573	P	86.2	Confident	79.8	Confident	6 Å²	6	29.4 Å²	29.4	4%	0.039	17%	0.166	C	C	.	.	H	α-helix	trans	-59.7	-28.6	-176.5	-25.7	34.2	0	0	0	114.4	I545 E548 I571 L575 Y576 A577	I545-P573 HydrophobicContact CG1-CB 4.09Å; I545-P573 HydrophobicContact CG1-CG 4.32Å; E548-P573 HydrophobicContact CB-CG 4.44Å; E548-P573 WeakPolarHBondContact OE2-CG 3.47Å; I571-P573 WeakPolarHBondContact O-CD 3.15Å; P573-L575 VanDerWaalsContact C-N 3.31Å; P573-L575 PolarHBondContact O-N 3.38Å; P573-Y576 PolarHBondContact O-N 3.19Å; P573-A577 PolarHBondContact O-N 3.48Å; P573-A577 VanDerWaalsContact O-N 3.11Å
574	G	86.6	Confident	81.1	Confident	0 Å²	0	24 Å²	24	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.9	-38.8	174.8	0	0	0	0	0	112.8	Y383 T572 Y576 A577 M578	Y383-G574 PolarHBondContact OH-O 2.99Å; T572-G574 PolarHBondContact O-N 2.71Å; T572-G574 VanDerWaalsContact O-N 3.17Å; G574-Y576 PolarHBondContact O-N 3.38Å; G574-A577 WeakPolarHBondContact O-CB 3.05Å; G574-A577 PolarHBondContact O-N 2.68Å; G574-M578 PolarHBondContact O-N 2.87Å
575	L	89.3	Confident	82.4	Confident	6 Å²	6	23.8 Å²	23.8	3%	0.031	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-42	176.7	179.9	60.2	0	0	0	111.7	W387 F395 T572 P573 A577 M578 V579 Y608	W387-L575 HydrophobicContact CB-CD2 3.96Å; F395-L575 HydrophobicContact CE1-CG 4.5Å; F395-L575 HydrophobicContact CZ-CD2 3.9Å; F395-L575 HydrophobicContact CZ-CG 4.1Å; T572-L575 WeakPolarHBondContact O-CB 3.43Å; T572-L575 PolarHBondContact O-N 3.4Å; P573-L575 VanDerWaalsContact C-N 3.31Å; P573-L575 PolarHBondContact O-N 3.38Å; L575-A577 VanDerWaalsContact C-N 3.33Å; L575-A577 PolarHBondContact O-N 3.42Å; L575-M578 HydrophobicContact CD1-CE 3.77Å; L575-M578 PolarHBondContact O-N 3.42Å; L575-V579 HydrophobicContact CD1-CG2 4.37Å; L575-V579 WeakPolarHBondContact O-CG2 3.48Å; L575-V579 PolarHBondContact O-N 3.09Å; L575-Y608 HydrophobicContact CD1-CD1 3.57Å; L575-Y608 HydrophobicContact CD1-CE1 4.27Å; L575-Y608 HydrophobicContact CD1-CG 3.74Å; L575-Y608 HydrophobicContact CD2-CD1 3.81Å; L575-Y608 HydrophobicContact CD2-CE1 4.04Å; L575-Y608 HydrophobicContact CG-CD1 4.36Å
576	Y	92.9	Very high	84.1	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.8	-39	176.5	-74.2	-109.5	0	0	0	111.7	E391 P394 F395 L398 G540 V543 M547 I571 P573 G574 M578 V579 G580	E391-Y576 WeakPolarHBondContact CB-OH 3.49Å; E391-Y576 VanDerWaalsContact CG-OH 3.32Å; E391-Y576 WeakPolarHBondContact CG-OH 3.45Å; E391-Y576 WeakPolarHBondContact OE2-CE2 3.26Å; E391-Y576 PolarHBondContact OE2-OH 2.8Å; P394-Y576 HydrophobicContact CB-CE1 3.85Å; P394-Y576 HydrophobicContact CG-CE1 3.74Å; F395-Y576 HydrophobicContact CD1-CD1 4.15Å; F395-Y576 HydrophobicContact CD1-CE1 4.12Å; F395-Y576 AromaticContact CE1-CD1 3.79Å; F395-Y576 HydrophobicContact CE1-CD1 3.79Å; F395-Y576 AromaticContact CE1-CD2 3.86Å; F395-Y576 HydrophobicContact CE1-CD2 3.86Å; F395-Y576 AromaticContact CE1-CE1 3.74Å; F395-Y576 HydrophobicContact CE1-CE1 3.74Å; F395-Y576 AromaticContact CE1-CE2 3.76Å; F395-Y576 HydrophobicContact CE1-CE2 3.76Å; F395-Y576 AromaticContact CE1-CG 3.84Å; F395-Y576 HydrophobicContact CE1-CG 3.84Å; F395-Y576 AromaticContact CE1-CZ 3.7Å; F395-Y576 HydrophobicContact CZ-CD2 4.39Å; F395-Y576 AromaticContact CZ-CE2 3.99Å; F395-Y576 HydrophobicContact CZ-CE2 3.99Å; L398-Y576 HydrophobicContact CD1-CD1 4.09Å; G540-Y576 VanDerWaalsContact CA-O 3.27Å; G540-Y576 WeakPolarHBondContact CA-O 3.28Å; G540-Y576 WeakPolarHBondContact O-CB 3Å; V543-Y576 HydrophobicContact CG1-CD1 3.99Å; V543-Y576 HydrophobicContact CG1-CE1 4.36Å; M547-Y576 HydrophobicContact CB-CE1 4.47Å; I571-Y576 HydrophobicContact CG2-CD2 4.46Å; I571-Y576 HydrophobicContact CG2-CE2 3.8Å; P573-Y576 PolarHBondContact O-N 3.19Å; G574-Y576 PolarHBondContact O-N 3.38Å; Y576-M578 VanDerWaalsContact C-N 3.33Å; Y576-M578 PolarHBondContact O-N 3.01Å; Y576-V579 PolarHBondContact O-N 3.23Å; Y576-G580 PolarHBondContact O-N 3.4Å
577	A	93.2	Very high	86.1	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.5	-44.1	174.1	0	0	0	0	0	111.2	L461 F462 A537 R541 P573 G574 L575 G580 A581	L461-A577 HydrophobicContact CB-CB 4.42Å; L461-A577 WeakPolarHBondContact O-CB 3.39Å; F462-A577 HydrophobicContact CD1-CB 3.88Å; F462-A577 HydrophobicContact CE1-CB 4.17Å; A537-A577 WeakPolarHBondContact CA-O 3.47Å; R541-A577 HydrophobicContact CB-CB 4.02Å; P573-A577 PolarHBondContact O-N 3.48Å; P573-A577 VanDerWaalsContact O-N 3.11Å; G574-A577 WeakPolarHBondContact O-CB 3.05Å; G574-A577 PolarHBondContact O-N 2.68Å; L575-A577 VanDerWaalsContact C-N 3.33Å; L575-A577 PolarHBondContact O-N 3.42Å; A577-G580 PolarHBondContact O-N 3.47Å; A577-A581 WeakPolarHBondContact O-CB 3.33Å; A577-A581 PolarHBondContact O-N 3.36Å
578	M	92.1	Very high	88.2	Confident	1 Å²	1	8.5 Å²	8.5	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-65.8	-45.3	176.3	-70	-164.6	-50	0	0	113.6	Y383 F462 G574 L575 Y576 G580 A581 A582 T603	Y383-M578 HydrophobicContact CD2-CE 3.78Å; Y383-M578 HydrophobicContact CE2-CE 3.02Å; Y383-M578 HydrophobicContact CE2-SD 3.62Å; F462-M578 HydrophobicContact CB-CG 4.41Å; F462-M578 HydrophobicContact CD1-CG 3.64Å; F462-M578 HydrophobicContact CD2-CG 3.78Å; F462-M578 HydrophobicContact CD2-SD 4.31Å; F462-M578 HydrophobicContact CE1-CB 4.28Å; F462-M578 HydrophobicContact CE1-CG 3.71Å; F462-M578 HydrophobicContact CE2-CG 3.85Å; F462-M578 HydrophobicContact CG-CG 3.69Å; F462-M578 HydrophobicContact CZ-CB 4.39Å; F462-M578 HydrophobicContact CZ-CG 3.82Å; G574-M578 PolarHBondContact O-N 2.87Å; L575-M578 HydrophobicContact CD1-CE 3.77Å; L575-M578 PolarHBondContact O-N 3.42Å; Y576-M578 VanDerWaalsContact C-N 3.33Å; Y576-M578 PolarHBondContact O-N 3.01Å; M578-G580 VanDerWaalsContact C-N 3.3Å; M578-G580 PolarHBondContact O-N 3.11Å; M578-A581 WeakPolarHBondContact O-CB 3.45Å; M578-A581 PolarHBondContact O-N 2.95Å; M578-A582 PolarHBondContact O-N 2.72Å; M578-T603 HydrophobicContact CE-CG2 3.69Å; M578-T603 HydrophobicContact SD-CG2 3.06Å; M578-T603 WeakPolarHBondContact SD-CG2 3.17Å
579	V	94.6	Very high	90	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.7	-42.5	177.6	174	0	0	0	0	110.4	F395 L398 L575 Y576 A582 A583 L612 A615	F395-V579 HydrophobicContact CB-CG1 4.03Å; F395-V579 HydrophobicContact CD1-CB 4.01Å; F395-V579 HydrophobicContact CD1-CG1 3.78Å; F395-V579 HydrophobicContact CD1-CG2 3.98Å; F395-V579 HydrophobicContact CE1-CB 4.36Å; F395-V579 HydrophobicContact CE1-CG2 4.03Å; F395-V579 HydrophobicContact CG-CG1 4.08Å; F395-V579 HydrophobicContact CG-CG2 4.46Å; L398-V579 HydrophobicContact CD1-CG1 4.49Å; L575-V579 HydrophobicContact CD1-CG2 4.37Å; L575-V579 WeakPolarHBondContact O-CG2 3.48Å; L575-V579 PolarHBondContact O-N 3.09Å; Y576-V579 PolarHBondContact O-N 3.23Å; V579-A582 PolarHBondContact O-N 3.4Å; V579-A583 VanDerWaalsContact O-CB 3.28Å; V579-A583 WeakPolarHBondContact O-CB 3.36Å; V579-A583 PolarHBondContact O-N 3.47Å; V579-L612 HydrophobicContact CB-CD2 4.44Å; V579-L612 HydrophobicContact CG2-CD2 3.96Å; V579-L612 HydrophobicContact CG2-CG 4.37Å; V579-A615 HydrophobicContact CG1-CB 3.45Å; V579-A615 VanDerWaalsContact CG1-CB 3.45Å
580	G	96.1	Very high	91.5	Very high	2 Å²	2	3.4 Å²	3.4	2%	0.021	2%	0.02	C	C	.	.	H	α-helix	trans	-62	-43.8	174.1	0	0	0	0	0	112.8	G536 Y576 A577 M578 A582 A583 C584	G536-G580 VanDerWaalsContact CA-C 3.47Å; G536-G580 VanDerWaalsContact CA-O 3.24Å; G536-G580 WeakPolarHBondContact CA-O 3.47Å; G536-G580 CarbonylContact O-C 3.51Å; G536-G580 WeakPolarHBondContact O-CA 3.44Å; Y576-G580 PolarHBondContact O-N 3.4Å; A577-G580 PolarHBondContact O-N 3.47Å; M578-G580 VanDerWaalsContact C-N 3.3Å; M578-G580 PolarHBondContact O-N 3.11Å; G580-A582 PolarHBondContact O-N 3.3Å; G580-A583 PolarHBondContact O-N 3.37Å; G580-C584 PolarHBondContact O-N 3.27Å
581	A	95.2	Very high	92.4	Very high	3 Å²	3	2.9 Å²	2.9	3%	0.025	2%	0.016	C	C	.	.	H	α-helix	trans	-59.5	-46.5	176.4	0	0	0	0	0	111.9	F462 M533 A537 A577 M578 L585	F462-A581 HydrophobicContact CE1-CB 4.04Å; F462-A581 HydrophobicContact CZ-CB 3.81Å; M533-A581 HydrophobicContact CB-CB 4.16Å; M533-A581 WeakPolarHBondContact O-CB 3.31Å; A537-A581 HydrophobicContact CB-CB 4.15Å; A577-A581 WeakPolarHBondContact O-CB 3.33Å; A577-A581 PolarHBondContact O-N 3.36Å; M578-A581 WeakPolarHBondContact O-CB 3.45Å; M578-A581 PolarHBondContact O-N 2.95Å; A581-L585 WeakPolarHBondContact O-CB 3.4Å; A581-L585 PolarHBondContact O-N 3.29Å
582	A	95.4	Very high	92.9	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.008	2%	0.019	C	C	.	.	H	α-helix	trans	-64.5	-44.6	176.2	0	0	0	0	0	111.7	M578 V579 G580 L585 G586 L595 V599 L612 V616	M578-A582 PolarHBondContact O-N 2.72Å; V579-A582 PolarHBondContact O-N 3.4Å; G580-A582 PolarHBondContact O-N 3.3Å; A582-L585 PolarHBondContact O-N 2.8Å; A582-G586 PolarHBondContact O-N 3.11Å; A582-L595 WeakPolarHBondContact O-CD2 3.45Å; A582-V599 HydrophobicContact CB-CG2 4.12Å; A582-L612 HydrophobicContact CB-CD2 3.72Å; A582-V616 HydrophobicContact CB-CG2 3.86Å
583	A	97.2	Very high	93.4	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-60.9	-48.5	178.9	0	0	0	0	0	112.3	V579 G580 G586 G587 A615 S619	V579-A583 VanDerWaalsContact O-CB 3.28Å; V579-A583 WeakPolarHBondContact O-CB 3.36Å; V579-A583 PolarHBondContact O-N 3.47Å; G580-A583 PolarHBondContact O-N 3.37Å; A583-G586 PolarHBondContact O-N 2.64Å; A583-G587 PolarHBondContact O-N 3.46Å; A583-A615 HydrophobicContact CB-CB 4.42Å; A583-S619 WeakPolarHBondContact O-CB 3.25Å; A583-S619 PolarHBondContact O-OG 3.5Å
584	C	96.6	Very high	93.7	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.007	4%	0.035	C	C	.	.	H	α-helix	trans	-65.5	-41.4	178.4	-78.7	0	0	0	0	112.5	S532 G536 G580 G587 V588	S532-C584 WeakPolarHBondContact O-CB 3.34Å; G536-C584 WeakPolarHBondContact CA-SG 3.18Å; G580-C584 PolarHBondContact O-N 3.27Å; C584-G587 PolarHBondContact O-N 3.37Å; C584-V588 WeakPolarHBondContact O-CG2 3.35Å; C584-V588 PolarHBondContact O-N 3.47Å; C584-V588 VanDerWaalsContact O-N 3.15Å
585	L	95.2	Very high	94.1	Very high	3 Å²	3	6.1 Å²	6.1	2%	0.016	4%	0.036	C	C	.	.	H	α-helix	trans	-64.3	-45.8	176.5	-179.9	56.6	0	0	0	111.1	F529 M533 A581 A582 G587 V588 T589 L595	F529-L585 HydrophobicContact CB-CD1 4.46Å; F529-L585 HydrophobicContact CD1-CD1 3.69Å; F529-L585 HydrophobicContact CD1-CD2 3.8Å; F529-L585 HydrophobicContact CD1-CG 4.3Å; F529-L585 HydrophobicContact CE1-CD1 4.3Å; F529-L585 HydrophobicContact CG-CD1 4.38Å; M533-L585 HydrophobicContact CG-CB 3.98Å; M533-L585 HydrophobicContact CG-CD2 3.58Å; M533-L585 HydrophobicContact CG-CG 4.29Å; M533-L585 HydrophobicContact SD-CD2 3.76Å; A581-L585 WeakPolarHBondContact O-CB 3.4Å; A581-L585 PolarHBondContact O-N 3.29Å; A582-L585 PolarHBondContact O-N 2.8Å; L585-G587 VanDerWaalsContact C-N 3.28Å; L585-G587 PolarHBondContact O-N 3.44Å; L585-V588 PolarHBondContact O-N 3.31Å; L585-V588 VanDerWaalsContact O-N 3.17Å; L585-T589 HydrophobicContact CD1-CG2 3.75Å; L585-T589 PolarHBondContact O-N 2.86Å; L585-T589 PolarHBondContact O-OG1 3.36Å; L585-L595 HydrophobicContact CB-CD1 4.47Å; L585-L595 HydrophobicContact CB-CD2 4.19Å; L585-L595 HydrophobicContact CD2-CD1 3.4Å; L585-L595 VanDerWaalsContact CD2-CD1 3.4Å; L585-L595 HydrophobicContact CD2-CD2 4.48Å; L585-L595 HydrophobicContact CG-CD1 3.97Å; L585-L595 HydrophobicContact CG-CD2 4.15Å
586	G	95.4	Very high	94.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60.2	-35.5	175.7	0	0	0	0	0	113	A582 A583 R590	A582-G586 PolarHBondContact O-N 3.11Å; A583-G586 PolarHBondContact O-N 2.64Å; G586-R590 WeakPolarHBondContact O-CA 3.31Å; G586-R590 PolarHBondContact O-N 3.04Å
587	G	95.6	Very high	94.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-69.5	-32.6	175.9	0	0	0	0	0	113.6	G406 A583 C584 L585 R590 S619	G406-G587 WeakPolarHBondContact CA-O 3.38Å; A583-G587 PolarHBondContact O-N 3.46Å; C584-G587 PolarHBondContact O-N 3.37Å; L585-G587 VanDerWaalsContact C-N 3.28Å; L585-G587 PolarHBondContact O-N 3.44Å; G587-R590 VanDerWaalsContact O-CD 3.27Å; G587-R590 WeakPolarHBondContact O-CD 3.47Å; G587-R590 PolarHBondContact O-NE 2.92Å; G587-S619 WeakPolarHBondContact CA-OG 3.38Å; G587-S619 PolarHBondContact N-OG 3.07Å; G587-S619 VanDerWaalsContact N-OG 3.12Å
588	V	95.4	Very high	94.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-82.7	-42.9	179.4	171.9	0	0	0	0	112	F409 L528 C584 L585 I631	F409-V588 HydrophobicContact CD1-CG1 3.95Å; F409-V588 HydrophobicContact CD1-CG2 4.21Å; F409-V588 HydrophobicContact CE1-CG1 4.07Å; L528-V588 HydrophobicContact CD2-CG1 3.55Å; L528-V588 HydrophobicContact CG-CG1 4.18Å; C584-V588 WeakPolarHBondContact O-CG2 3.35Å; C584-V588 PolarHBondContact O-N 3.47Å; C584-V588 VanDerWaalsContact O-N 3.15Å; L585-V588 PolarHBondContact O-N 3.31Å; L585-V588 VanDerWaalsContact O-N 3.17Å; V588-I631 HydrophobicContact CG1-CB 4.18Å; V588-I631 HydrophobicContact CG1-CG2 3.98Å; V588-I631 WeakPolarHBondContact O-CG2 3.45Å; V588-I631 PolarHBondContact O-N 2.85Å
589	T	93.5	Very high	94.1	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.018	5%	0.051	C	C	.	.	H	α-helix	trans	-93.5	-20.4	-175.8	61.1	0	0	0	0	113.8	F529 L585 M591 Y632	F529-T589 HydrophobicContact CE1-CG2 4.33Å; L585-T589 HydrophobicContact CD1-CG2 3.75Å; L585-T589 PolarHBondContact O-N 2.86Å; L585-T589 PolarHBondContact O-OG1 3.36Å; T589-M591 PolarHBondContact O-N 3.1Å; T589-M591 VanDerWaalsContact OG1-CG 3.25Å; T589-M591 WeakPolarHBondContact OG1-CG 3.21Å; T589-Y632 HydrophobicContact CG2-CE2 4Å
590	R	93	Very high	93.7	Very high	9 Å²	9	10.8 Å²	10.8	3%	0.034	6%	0.061	C	C	.	.			trans	64.7	23.1	-174.1	-50.1	-47.6	-175.2	88.9	5.7	115.1	G586 G587 K620 G623 D624 G627	G586-R590 WeakPolarHBondContact O-CA 3.31Å; G586-R590 PolarHBondContact O-N 3.04Å; G587-R590 VanDerWaalsContact O-CD 3.27Å; G587-R590 WeakPolarHBondContact O-CD 3.47Å; G587-R590 PolarHBondContact O-NE 2.92Å; R590-K620 PolarHBondContact O-NZ 3.31Å; R590-G623 VanDerWaalsContact NH1-CA 3.33Å; R590-G623 PolarHBondContact NH1-O 3.23Å; R590-G623 PolarHBondContact NH2-O 3.03Å; R590-D624 IonicContact CZ-OD1 2.64Å; R590-D624 VanDerWaalsContact NH1-CA 3.29Å; R590-D624 IonicContact NH1-OD1 2.72Å; R590-D624 PolarHBondContact NH1-OD1 2.8Å; R590-G627 PolarHBondContact NH1-O 3.41Å; R590-G627 VanDerWaalsContact NH1-O 3.13Å; R590-G627 PolarHBondContact NH2-O 2.94Å
591	M	90.9	Very high	93.3	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.01	7%	0.068	C	C	.	.			trans	-84.8	145	175.3	-60.7	-175.3	73.5	0	0	111.8	F337 E341 F529 T589 S594 L595 V616	F337-M591 HydrophobicContact CB-CE 4.33Å; F337-M591 HydrophobicContact CD2-CE 3Å; F337-M591 HydrophobicContact CD2-SD 3.8Å; F337-M591 HydrophobicContact CE2-CE 3.24Å; F337-M591 HydrophobicContact CE2-SD 3.4Å; F337-M591 WeakPolarHBondContact CE2-SD 3.26Å; F337-M591 HydrophobicContact CG-CE 3.85Å; F337-M591 HydrophobicContact CZ-CE 4.31Å; F337-M591 HydrophobicContact CZ-SD 4.41Å; E341-M591 HydrophobicContact CB-CE 4.09Å; E341-M591 HydrophobicContact CG-CE 3.26Å; E341-M591 HydrophobicContact CG-CG 3.4Å; E341-M591 HydrophobicContact CG-SD 3.59Å; E341-M591 VanDerWaalsContact CG-SD 3.59Å; F529-M591 HydrophobicContact CE1-SD 4.27Å; T589-M591 PolarHBondContact O-N 3.1Å; T589-M591 VanDerWaalsContact OG1-CG 3.25Å; T589-M591 WeakPolarHBondContact OG1-CG 3.21Å; M591-S594 WeakPolarHBondContact CE-OG 3.46Å; M591-L595 HydrophobicContact CB-CB 4.19Å; M591-V616 WeakPolarHBondContact O-CG1 3.08Å
592	T	93	Very high	92.6	Very high	18 Å²	18	12.8 Å²	12.8	11%	0.11	7%	0.069	C	C	.	.			trans	-124	-85.2	-175	56.3	0	0	0	0	112.4	E340 S594 L595 V596 M617 K620	E340-T592 PolarHBondContact OE1-N 3.41Å; E340-T592 PolarHBondContact OE1-OG1 2.84Å; T592-S594 PolarHBondContact O-N 2.65Å; T592-L595 PolarHBondContact O-N 2.87Å; T592-V596 WeakPolarHBondContact O-CG2 3.32Å; T592-V596 PolarHBondContact O-N 3.3Å; T592-V596 VanDerWaalsContact O-N 3.09Å; T592-M617 HydrophobicContact CG2-CE 4.28Å; T592-M617 HydrophobicContact CG2-SD 3.89Å; T592-K620 HydrophobicContact CG2-CB 4.43Å; T592-K620 HydrophobicContact CG2-CD 3.31Å; T592-K620 HydrophobicContact CG2-CG 4.47Å
593	V	93.3	Very high	91.8	Very high	75 Å²	75	13 Å²	13	46%	0.455	7%	0.07	S	C	.	.	H	α-helix	trans	-64.2	-47.4	-169.7	179.4	0	0	0	0	110.9	L336 E340 L595 V596 V597	L336-V593 HydrophobicContact CD1-CG1 4.47Å; E340-V593 PolarHBondContact OE2-N 3Å; V593-L595 VanDerWaalsContact C-N 3.3Å; V593-L595 PolarHBondContact O-N 3.01Å; V593-V596 PolarHBondContact O-N 3.45Å; V593-V597 WeakPolarHBondContact O-CG2 3.47Å; V593-V597 PolarHBondContact O-N 3.34Å
594	S	93.7	Very high	90.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.5	-39.6	177.7	53.8	0	0	0	0	112.5	E340 M591 T592 V597 I598	E340-S594 WeakPolarHBondContact OE2-CB 3.31Å; E340-S594 PolarHBondContact OE2-N 3.28Å; E340-S594 PolarHBondContact OE2-OG 3.08Å; M591-S594 WeakPolarHBondContact CE-OG 3.46Å; T592-S594 PolarHBondContact O-N 2.65Å; S594-V597 PolarHBondContact O-N 3.27Å; S594-I598 WeakPolarHBondContact O-CG1 3.46Å; S594-I598 PolarHBondContact O-N 2.92Å
595	L	93.7	Very high	89.6	Confident	5 Å²	5	16.3 Å²	16.3	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-65.5	-45.8	179.1	177.2	58.7	0	0	0	111.8	A582 L585 M591 T592 V593 V597 I598 V599 V616	A582-L595 WeakPolarHBondContact O-CD2 3.45Å; L585-L595 HydrophobicContact CB-CD1 4.47Å; L585-L595 HydrophobicContact CB-CD2 4.19Å; L585-L595 HydrophobicContact CD2-CD1 3.4Å; L585-L595 VanDerWaalsContact CD2-CD1 3.4Å; L585-L595 HydrophobicContact CD2-CD2 4.48Å; L585-L595 HydrophobicContact CG-CD1 3.97Å; L585-L595 HydrophobicContact CG-CD2 4.15Å; M591-L595 HydrophobicContact CB-CB 4.19Å; T592-L595 PolarHBondContact O-N 2.87Å; V593-L595 VanDerWaalsContact C-N 3.3Å; V593-L595 PolarHBondContact O-N 3.01Å; L595-V597 VanDerWaalsContact C-N 3.3Å; L595-V597 PolarHBondContact O-N 3.27Å; L595-I598 PolarHBondContact O-N 3.24Å; L595-V599 HydrophobicContact CD1-CG2 4.15Å; L595-V599 WeakPolarHBondContact O-CG2 3.26Å; L595-V599 PolarHBondContact O-N 3.16Å; L595-V616 HydrophobicContact CD2-CG1 4.33Å; L595-V616 HydrophobicContact CD2-CG2 4.33Å
596	V	93.8	Very high	88.8	Confident	10 Å²	10	22 Å²	22	6%	0.061	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-43.3	176.5	173.8	0	0	0	0	110.5	T592 V593 V599 F600 I609 L612 M613 V616	T592-V596 WeakPolarHBondContact O-CG2 3.32Å; T592-V596 PolarHBondContact O-N 3.3Å; T592-V596 VanDerWaalsContact O-N 3.09Å; V593-V596 PolarHBondContact O-N 3.45Å; V596-V599 PolarHBondContact O-N 3.42Å; V596-F600 VanDerWaalsContact O-CB 3.24Å; V596-F600 WeakPolarHBondContact O-CB 3.24Å; V596-F600 PolarHBondContact O-N 2.76Å; V596-I609 HydrophobicContact CG1-CG2 4.2Å; V596-L612 HydrophobicContact CG1-CB 4.37Å; V596-M613 HydrophobicContact CB-CG 4.42Å; V596-M613 HydrophobicContact CG1-CG 3.77Å; V596-M613 HydrophobicContact CG2-CG 4.02Å; V596-V616 HydrophobicContact CG2-CB 4.29Å; V596-V616 HydrophobicContact CG2-CG1 4.48Å; V596-V616 HydrophobicContact CG2-CG2 4.2Å
597	V	93.2	Very high	88.2	Confident	30 Å²	30	27.7 Å²	27.7	18%	0.182	16%	0.161	C	C	.	.	H	α-helix	trans	-66.6	-38.1	178	175.7	0	0	0	0	112	I332 L336 V593 S594 L595 F600 E601	I332-V597 HydrophobicContact CB-CG1 4.15Å; I332-V597 HydrophobicContact CG2-CG1 3.88Å; L336-V597 HydrophobicContact CD1-CB 3.95Å; L336-V597 HydrophobicContact CD1-CG1 4.02Å; L336-V597 HydrophobicContact CD1-CG2 3.69Å; V593-V597 WeakPolarHBondContact O-CG2 3.47Å; V593-V597 PolarHBondContact O-N 3.34Å; S594-V597 PolarHBondContact O-N 3.27Å; L595-V597 VanDerWaalsContact C-N 3.3Å; L595-V597 PolarHBondContact O-N 3.27Å; V597-F600 PolarHBondContact O-N 2.92Å; V597-E601 HydrophobicContact CG1-CG 4.45Å; V597-E601 WeakPolarHBondContact O-CB 3.23Å; V597-E601 WeakPolarHBondContact O-CG 3.4Å; V597-E601 PolarHBondContact O-N 2.97Å
598	I	91.8	Very high	87.7	Confident	7 Å²	7	28 Å²	28	4%	0.036	16%	0.162	C	C	.	.	H	α-helix	trans	-59.9	-51.9	173.5	-70.2	164.2	0	0	0	109.9	V324 F328 A330 F337 S594 L595 F600 E601 L602	V324-I598 HydrophobicContact CG1-CD1 4.16Å; F328-I598 HydrophobicContact CB-CG2 3.89Å; F328-I598 HydrophobicContact CD1-CG2 4.22Å; F328-I598 HydrophobicContact CD2-CD1 4.45Å; F328-I598 HydrophobicContact CD2-CG2 4.25Å; F328-I598 HydrophobicContact CG-CG2 3.86Å; A330-I598 HydrophobicContact CB-CB 4.49Å; A330-I598 HydrophobicContact CB-CG1 4.36Å; A330-I598 HydrophobicContact CB-CG2 4.26Å; F337-I598 HydrophobicContact CD2-CD1 4.45Å; S594-I598 WeakPolarHBondContact O-CG1 3.46Å; S594-I598 PolarHBondContact O-N 2.92Å; L595-I598 PolarHBondContact O-N 3.24Å; I598-F600 VanDerWaalsContact C-N 3.29Å; I598-F600 PolarHBondContact O-N 3.24Å; I598-E601 PolarHBondContact O-N 2.94Å; I598-L602 HydrophobicContact CG2-CD1 4.05Å; I598-L602 HydrophobicContact CG2-CG 4.39Å; I598-L602 VanDerWaalsContact O-CG 3.22Å; I598-L602 WeakPolarHBondContact O-CG 3.33Å; I598-L602 PolarHBondContact O-N 2.88Å
599	V	89.1	Confident	87.4	Confident	10 Å²	10	30 Å²	30	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-64.3	-35.9	-179.2	178.4	0	0	0	0	111.7	A582 L595 V596 L602 T603 L612	A582-V599 HydrophobicContact CB-CG2 4.12Å; L595-V599 HydrophobicContact CD1-CG2 4.15Å; L595-V599 WeakPolarHBondContact O-CG2 3.26Å; L595-V599 PolarHBondContact O-N 3.16Å; V596-V599 PolarHBondContact O-N 3.42Å; V599-L602 WeakPolarHBondContact O-CB 3.29Å; V599-L602 PolarHBondContact O-N 3.37Å; V599-T603 VanDerWaalsContact O-CG2 3.27Å; V599-T603 WeakPolarHBondContact O-CG2 3.48Å; V599-T603 PolarHBondContact O-N 3.39Å; V599-T603 VanDerWaalsContact O-N 3.15Å; V599-T603 PolarHBondContact O-OG1 3.44Å; V599-L612 HydrophobicContact CB-CD1 4.4Å; V599-L612 HydrophobicContact CG1-CD1 3.79Å; V599-L612 HydrophobicContact CG1-CD2 4Å
600	F	86.4	Confident	87.3	Confident	48 Å²	48	34.1 Å²	34.1	21%	0.211	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-48.6	171.8	161.9	-109.8	0	0	0	112.5	V596 V597 I598 L602 T603 G604 G605 L606 I609	V596-F600 VanDerWaalsContact O-CB 3.24Å; V596-F600 WeakPolarHBondContact O-CB 3.24Å; V596-F600 PolarHBondContact O-N 2.76Å; V597-F600 PolarHBondContact O-N 2.92Å; I598-F600 VanDerWaalsContact C-N 3.29Å; I598-F600 PolarHBondContact O-N 3.24Å; F600-L602 PolarHBondContact O-N 2.89Å; F600-T603 PolarHBondContact O-N 3.49Å; F600-T603 PolarHBondContact O-OG1 3.07Å; F600-T603 VanDerWaalsContact O-OG1 3.06Å; F600-G604 PolarHBondContact O-N 3.07Å; F600-G605 WeakPolarHBondContact CD2-O 3.29Å; F600-L606 HydrophobicContact CD2-CD2 4.23Å; F600-L606 HydrophobicContact CE1-CD2 4.21Å; F600-L606 HydrophobicContact CE2-CB 4.31Å; F600-L606 HydrophobicContact CE2-CD2 3.32Å; F600-L606 HydrophobicContact CE2-CG 3.66Å; F600-L606 HydrophobicContact CZ-CD2 3.29Å; F600-L606 HydrophobicContact CZ-CG 3.93Å; F600-I609 HydrophobicContact CB-CG1 4.33Å; F600-I609 HydrophobicContact CD2-CD1 3.83Å; F600-I609 HydrophobicContact CD2-CG1 4.03Å; F600-I609 HydrophobicContact CE2-CD1 4.24Å; F600-I609 HydrophobicContact CG-CD1 4.04Å; F600-I609 HydrophobicContact CG-CG1 4.26Å
601	E	87.6	Confident	87.2	Confident	37 Å²	37	33.7 Å²	33.7	17%	0.173	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-28.5	176.9	-76.5	-169.3	128.6	0	0	112.1	A330 P331 I332 G333 V597 I598	A330-E601 WeakPolarHBondContact CA-OE2 3.38Å; A330-E601 HydrophobicContact CB-CB 3.83Å; A330-E601 WeakPolarHBondContact CB-OE2 3.22Å; P331-E601 WeakPolarHBondContact CD-OE1 3.45Å; I332-E601 VanDerWaalsContact CB-OE1 3.25Å; I332-E601 WeakPolarHBondContact CB-OE1 3.48Å; I332-E601 WeakPolarHBondContact CD1-OE1 3.24Å; I332-E601 WeakPolarHBondContact CG1-OE1 3.19Å; I332-E601 PolarHBondContact N-OE1 3.2Å; I332-E601 VanDerWaalsContact N-OE1 3.16Å; I332-E601 PolarHBondContact N-OE2 2.62Å; G333-E601 PolarHBondContact N-OE2 2.93Å; V597-E601 HydrophobicContact CG1-CG 4.45Å; V597-E601 WeakPolarHBondContact O-CB 3.23Å; V597-E601 WeakPolarHBondContact O-CG 3.4Å; V597-E601 PolarHBondContact O-N 2.97Å; I598-E601 PolarHBondContact O-N 2.94Å
602	L	81.4	Confident	87.3	Confident	9 Å²	9	33.7 Å²	33.7	5%	0.047	20%	0.196	C	C	.	.	H	α-helix	trans	-68.2	-37.8	175.3	-70.1	172.3	0	0	0	112.3	F328 V377 I598 V599 F600	F328-L602 HydrophobicContact CB-CD2 4.36Å; F328-L602 WeakPolarHBondContact O-CD2 3.44Å; V377-L602 HydrophobicContact CB-CD2 4.26Å; V377-L602 HydrophobicContact CG1-CB 4.06Å; V377-L602 HydrophobicContact CG1-CD2 3.32Å; V377-L602 HydrophobicContact CG1-CG 4.29Å; V377-L602 WeakPolarHBondContact CG1-O 3.36Å; V377-L602 HydrophobicContact CG2-CD2 4.13Å; I598-L602 HydrophobicContact CG2-CD1 4.05Å; I598-L602 HydrophobicContact CG2-CG 4.39Å; I598-L602 VanDerWaalsContact O-CG 3.22Å; I598-L602 WeakPolarHBondContact O-CG 3.33Å; I598-L602 PolarHBondContact O-N 2.88Å; V599-L602 WeakPolarHBondContact O-CB 3.29Å; V599-L602 PolarHBondContact O-N 3.37Å; F600-L602 PolarHBondContact O-N 2.89Å
603	T	77.8	Confident	87.3	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-93.6	-32.4	-171.7	50.5	0	0	0	0	113.5	V381 M578 V599 F600 G605	V381-T603 VanDerWaalsContact O-O 3.09Å; M578-T603 HydrophobicContact CE-CG2 3.69Å; M578-T603 HydrophobicContact SD-CG2 3.06Å; M578-T603 WeakPolarHBondContact SD-CG2 3.17Å; V599-T603 VanDerWaalsContact O-CG2 3.27Å; V599-T603 WeakPolarHBondContact O-CG2 3.48Å; V599-T603 PolarHBondContact O-N 3.39Å; V599-T603 VanDerWaalsContact O-N 3.15Å; V599-T603 PolarHBondContact O-OG1 3.44Å; F600-T603 PolarHBondContact O-N 3.49Å; F600-T603 PolarHBondContact O-OG1 3.07Å; F600-T603 VanDerWaalsContact O-OG1 3.06Å; T603-G605 PolarHBondContact O-N 3.49Å
604	G	74.6	Confident	87.4	Confident	51 Å²	51	34.7 Å²	34.7	53%	0.526	20%	0.2	S	C	.	.			trans	77	-0.7	-177.8	0	0	0	0	0	115	F600	F600-G604 PolarHBondContact O-N 3.07Å
605	G	73.6	Confident	87.6	Confident	20 Å²	20	34.7 Å²	34.7	21%	0.206	20%	0.2	C	C	.	.			trans	-102	116.7	179.5	0	0	0	0	0	113	F600 T603 E607	F600-G605 WeakPolarHBondContact CD2-O 3.29Å; T603-G605 PolarHBondContact O-N 3.49Å; G605-E607 VanDerWaalsContact C-N 3.27Å; G605-E607 PolarHBondContact O-N 3.39Å
606	L	77.8	Confident	87.7	Confident	123 Å²	123	34.5 Å²	34.5	64%	0.644	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-70.4	-23.1	177.5	-74.6	167.3	0	0	0	113.1	F600 Y608 I609	F600-L606 HydrophobicContact CD2-CD2 4.23Å; F600-L606 HydrophobicContact CE1-CD2 4.21Å; F600-L606 HydrophobicContact CE2-CB 4.31Å; F600-L606 HydrophobicContact CE2-CD2 3.32Å; F600-L606 HydrophobicContact CE2-CG 3.66Å; F600-L606 HydrophobicContact CZ-CD2 3.29Å; F600-L606 HydrophobicContact CZ-CG 3.93Å; L606-Y608 VanDerWaalsContact C-N 3.28Å; L606-Y608 PolarHBondContact O-N 3.39Å; L606-I609 HydrophobicContact CD2-CD1 3.75Å; L606-I609 WeakPolarHBondContact O-CG1 3.2Å; L606-I609 PolarHBondContact O-N 2.81Å
607	E	82.3	Confident	87.8	Confident	119 Å²	119	36.9 Å²	36.9	56%	0.556	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-67.7	-28.5	-172	-61.5	-175.8	176.8	0	0	112.5	W387 G605 I609	W387-E607 PolarHBondContact NE1-O 3.18Å; G605-E607 VanDerWaalsContact C-N 3.27Å; G605-E607 PolarHBondContact O-N 3.39Å; E607-I609 PolarHBondContact O-N 2.99Å
608	Y	85.1	Confident	88	Confident	6 Å²	6	36.5 Å²	36.5	2%	0.024	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-88.5	2.5	-175.1	-47	-59.8	0	0	0	114.2	Y383 T385 W387 L575 L606 V610 P611 L612	Y383-Y608 WeakPolarHBondContact CB-OH 3.32Å; Y383-Y608 HydrophobicContact CD2-CD2 4.42Å; Y383-Y608 AromaticContact CD2-CE2 3.95Å; Y383-Y608 HydrophobicContact CD2-CE2 3.95Å; Y383-Y608 HydrophobicContact CG-CE2 4.35Å; Y383-Y608 PolarHBondContact O-OH 2.81Å; T385-Y608 PolarHBondContact O-OH 3.26Å; T385-Y608 VanDerWaalsContact O-OH 3.1Å; W387-Y608 AromaticContact CD1-CD1 3.92Å; L575-Y608 HydrophobicContact CD1-CD1 3.57Å; L575-Y608 HydrophobicContact CD1-CE1 4.27Å; L575-Y608 HydrophobicContact CD1-CG 3.74Å; L575-Y608 HydrophobicContact CD2-CD1 3.81Å; L575-Y608 HydrophobicContact CD2-CE1 4.04Å; L575-Y608 HydrophobicContact CG-CD1 4.36Å; L606-Y608 VanDerWaalsContact C-N 3.28Å; L606-Y608 PolarHBondContact O-N 3.39Å; Y608-V610 PolarHBondContact O-N 3.23Å; Y608-P611 VanDerWaalsContact O-CD 3.31Å; Y608-P611 WeakPolarHBondContact O-CD 3.34Å; Y608-P611 VanDerWaalsContact O-CG 3.32Å; Y608-P611 WeakPolarHBondContact O-CG 3.5Å; Y608-L612 WeakPolarHBondContact O-CB 3.04Å; Y608-L612 WeakPolarHBondContact O-CD1 3.29Å; Y608-L612 VanDerWaalsContact O-CG 3.28Å; Y608-L612 WeakPolarHBondContact O-CG 3.03Å; Y608-L612 PolarHBondContact O-N 3Å
609	I	89.6	Confident	88.3	Confident	43 Å²	43	36.1 Å²	36.1	22%	0.221	21%	0.207	C	C	.	.	H	α-helix	trans	-63.7	-43.7	-177.4	-70.2	175.3	0	0	0	111.6	V596 F600 L606 E607 L612 M613	V596-I609 HydrophobicContact CG1-CG2 4.2Å; F600-I609 HydrophobicContact CB-CG1 4.33Å; F600-I609 HydrophobicContact CD2-CD1 3.83Å; F600-I609 HydrophobicContact CD2-CG1 4.03Å; F600-I609 HydrophobicContact CE2-CD1 4.24Å; F600-I609 HydrophobicContact CG-CD1 4.04Å; F600-I609 HydrophobicContact CG-CG1 4.26Å; L606-I609 HydrophobicContact CD2-CD1 3.75Å; L606-I609 WeakPolarHBondContact O-CG1 3.2Å; L606-I609 PolarHBondContact O-N 2.81Å; E607-I609 PolarHBondContact O-N 2.99Å; I609-L612 PolarHBondContact O-N 3.23Å; I609-M613 HydrophobicContact CG2-CG 4.07Å; I609-M613 HydrophobicContact CG2-SD 3.67Å; I609-M613 VanDerWaalsContact O-CG 3.27Å; I609-M613 WeakPolarHBondContact O-CG 2.99Å; I609-M613 PolarHBondContact O-N 3.13Å
610	V	91.1	Very high	88.6	Confident	89 Å²	89	38 Å²	38	54%	0.539	21%	0.214	S	C	.	.	H	α-helix	trans	-60.6	-52.9	-177.1	177.8	0	0	0	0	112.5	W387 Y608 L612 M613 A614	W387-V610 HydrophobicContact CH2-CB 4.43Å; W387-V610 HydrophobicContact CH2-CG1 4.12Å; W387-V610 HydrophobicContact CZ2-CB 3.91Å; W387-V610 HydrophobicContact CZ2-CG1 4.09Å; Y608-V610 PolarHBondContact O-N 3.23Å; V610-L612 VanDerWaalsContact C-N 3.31Å; V610-L612 PolarHBondContact O-N 2.96Å; V610-M613 PolarHBondContact O-N 3.38Å; V610-A614 PolarHBondContact O-N 3.5Å
611	P	91.1	Very high	89	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-35.6	178.3	22.7	-32.8	0	0	0	112.5	W387 F395 Y608 A614 A615	W387-P611 HydrophobicContact CD2-CG 4.04Å; W387-P611 HydrophobicContact CG-CG 4.27Å; W387-P611 HydrophobicContact CZ2-CG 4.46Å; F395-P611 HydrophobicContact CD2-CB 3.34Å; F395-P611 HydrophobicContact CD2-CG 4.44Å; F395-P611 HydrophobicContact CE2-CB 3.63Å; F395-P611 HydrophobicContact CE2-CG 4.28Å; F395-P611 HydrophobicContact CG-CB 4.16Å; Y608-P611 VanDerWaalsContact O-CD 3.31Å; Y608-P611 WeakPolarHBondContact O-CD 3.34Å; Y608-P611 VanDerWaalsContact O-CG 3.32Å; Y608-P611 WeakPolarHBondContact O-CG 3.5Å; P611-A614 PolarHBondContact O-N 3Å; P611-A615 WeakPolarHBondContact O-CB 3.08Å; P611-A615 PolarHBondContact O-N 3.47Å
612	L	92.7	Very high	89.5	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-46.6	173.4	-75.9	169.3	0	0	0	112	V579 A582 V596 V599 Y608 I609 V610 A614 A615 V616	V579-L612 HydrophobicContact CB-CD2 4.44Å; V579-L612 HydrophobicContact CG2-CD2 3.96Å; V579-L612 HydrophobicContact CG2-CG 4.37Å; A582-L612 HydrophobicContact CB-CD2 3.72Å; V596-L612 HydrophobicContact CG1-CB 4.37Å; V599-L612 HydrophobicContact CB-CD1 4.4Å; V599-L612 HydrophobicContact CG1-CD1 3.79Å; V599-L612 HydrophobicContact CG1-CD2 4Å; Y608-L612 WeakPolarHBondContact O-CB 3.04Å; Y608-L612 WeakPolarHBondContact O-CD1 3.29Å; Y608-L612 VanDerWaalsContact O-CG 3.28Å; Y608-L612 WeakPolarHBondContact O-CG 3.03Å; Y608-L612 PolarHBondContact O-N 3Å; I609-L612 PolarHBondContact O-N 3.23Å; V610-L612 VanDerWaalsContact C-N 3.31Å; V610-L612 PolarHBondContact O-N 2.96Å; L612-A614 PolarHBondContact O-N 3.4Å; L612-A615 PolarHBondContact O-N 2.64Å; L612-V616 WeakPolarHBondContact O-CB 3.47Å; L612-V616 VanDerWaalsContact O-CG2 3.23Å; L612-V616 WeakPolarHBondContact O-CG2 2.95Å; L612-V616 PolarHBondContact O-N 3.05Å
613	M	94.8	Very high	90.1	Very high	86 Å²	86	43.3 Å²	43.3	42%	0.424	23%	0.234	S	C	.	.	H	α-helix	trans	-61.3	-44.1	177.1	-71.4	-179.6	84.6	0	0	111.5	V596 I609 V610 M617	V596-M613 HydrophobicContact CB-CG 4.42Å; V596-M613 HydrophobicContact CG1-CG 3.77Å; V596-M613 HydrophobicContact CG2-CG 4.02Å; I609-M613 HydrophobicContact CG2-CG 4.07Å; I609-M613 HydrophobicContact CG2-SD 3.67Å; I609-M613 VanDerWaalsContact O-CG 3.27Å; I609-M613 WeakPolarHBondContact O-CG 2.99Å; I609-M613 PolarHBondContact O-N 3.13Å; V610-M613 PolarHBondContact O-N 3.38Å; M613-M617 VanDerWaalsContact O-CB 3.25Å; M613-M617 WeakPolarHBondContact O-CB 3.25Å; M613-M617 WeakPolarHBondContact O-CG 3.37Å; M613-M617 PolarHBondContact O-N 3.1Å
614	A	95.3	Very high	90.8	Very high	28 Å²	28	45.1 Å²	45.1	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-47.1	179	0	0	0	0	0	112.1	L392 V610 P611 L612 T618	L392-A614 HydrophobicContact CD1-CB 3.77Å; V610-A614 PolarHBondContact O-N 3.5Å; P611-A614 PolarHBondContact O-N 3Å; L612-A614 PolarHBondContact O-N 3.4Å; A614-T618 WeakPolarHBondContact O-CB 3.49Å; A614-T618 PolarHBondContact O-N 3.32Å; A614-T618 PolarHBondContact O-OG1 3.35Å
615	A	96.5	Very high	91.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-44	179.5	0	0	0	0	0	112.4	F395 G399 V579 A583 P611 L612 T618 S619	F395-A615 WeakPolarHBondContact O-CB 3.35Å; G399-A615 VanDerWaalsContact CA-O 3.31Å; G399-A615 WeakPolarHBondContact CA-O 3.45Å; V579-A615 HydrophobicContact CG1-CB 3.45Å; V579-A615 VanDerWaalsContact CG1-CB 3.45Å; A583-A615 HydrophobicContact CB-CB 4.42Å; P611-A615 WeakPolarHBondContact O-CB 3.08Å; P611-A615 PolarHBondContact O-N 3.47Å; L612-A615 PolarHBondContact O-N 2.64Å; A615-T618 PolarHBondContact O-N 3.07Å; A615-S619 WeakPolarHBondContact O-CB 3.06Å; A615-S619 PolarHBondContact O-N 2.89Å
616	V	96.8	Very high	92.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-42.5	179.1	171.8	0	0	0	0	111.4	A582 M591 L595 V596 L612 S619 K620	A582-V616 HydrophobicContact CB-CG2 3.86Å; M591-V616 WeakPolarHBondContact O-CG1 3.08Å; L595-V616 HydrophobicContact CD2-CG1 4.33Å; L595-V616 HydrophobicContact CD2-CG2 4.33Å; V596-V616 HydrophobicContact CG2-CB 4.29Å; V596-V616 HydrophobicContact CG2-CG1 4.48Å; V596-V616 HydrophobicContact CG2-CG2 4.2Å; L612-V616 WeakPolarHBondContact O-CB 3.47Å; L612-V616 VanDerWaalsContact O-CG2 3.23Å; L612-V616 WeakPolarHBondContact O-CG2 2.95Å; L612-V616 PolarHBondContact O-N 3.05Å; V616-S619 PolarHBondContact O-N 2.97Å; V616-K620 PolarHBondContact O-N 3.27Å
617	M	96.3	Very high	92.8	Very high	61 Å²	61	46.1 Å²	46.1	30%	0.3	25%	0.247	S	C	.	.	H	α-helix	trans	-65	-43.1	176.2	-73	-64.8	-172.1	0	0	111.8	T592 M613 S619 K620 W621	T592-M617 HydrophobicContact CG2-CE 4.28Å; T592-M617 HydrophobicContact CG2-SD 3.89Å; M613-M617 VanDerWaalsContact O-CB 3.25Å; M613-M617 WeakPolarHBondContact O-CB 3.25Å; M613-M617 WeakPolarHBondContact O-CG 3.37Å; M613-M617 PolarHBondContact O-N 3.1Å; M617-S619 VanDerWaalsContact C-N 3.34Å; M617-S619 PolarHBondContact O-N 3.5Å; M617-K620 PolarHBondContact O-N 3.17Å; M617-W621 PolarHBondContact O-N 3.49Å
618	T	97	Very high	92.8	Very high	21 Å²	21	50.8 Å²	50.8	13%	0.129	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-46.3	174.8	-57.1	0	0	0	0	110.8	I396 V400 A614 A615 K620 W621 V622	I396-T618 HydrophobicContact CG2-CG2 4.01Å; V400-T618 HydrophobicContact CG2-CG2 3.78Å; A614-T618 WeakPolarHBondContact O-CB 3.49Å; A614-T618 PolarHBondContact O-N 3.32Å; A614-T618 PolarHBondContact O-OG1 3.35Å; A615-T618 PolarHBondContact O-N 3.07Å; T618-K620 VanDerWaalsContact C-N 3.33Å; T618-K620 PolarHBondContact O-N 3.08Å; T618-W621 PolarHBondContact O-N 3.4Å; T618-V622 HydrophobicContact CG2-CG2 4.3Å; T618-V622 WeakPolarHBondContact O-CB 3.49Å; T618-V622 WeakPolarHBondContact O-CG2 3.21Å; T618-V622 PolarHBondContact O-N 3.05Å
619	S	97.3	Very high	92.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.3	-43.7	176.9	179.1	0	0	0	0	112.4	G399 G402 G403 A583 G587 A615 V616 M617 G623	G399-S619 WeakPolarHBondContact O-CA 3.34Å; G399-S619 VanDerWaalsContact O-CB 3.24Å; G399-S619 WeakPolarHBondContact O-CB 3.37Å; G402-S619 VanDerWaalsContact C-OG 3.28Å; G403-S619 WeakPolarHBondContact CA-O 3.46Å; G403-S619 PolarHBondContact N-OG 3.39Å; G403-S619 VanDerWaalsContact N-OG 3.08Å; A583-S619 WeakPolarHBondContact O-CB 3.25Å; A583-S619 PolarHBondContact O-OG 3.5Å; G587-S619 WeakPolarHBondContact CA-OG 3.38Å; G587-S619 PolarHBondContact N-OG 3.07Å; G587-S619 VanDerWaalsContact N-OG 3.12Å; A615-S619 WeakPolarHBondContact O-CB 3.06Å; A615-S619 PolarHBondContact O-N 2.89Å; V616-S619 PolarHBondContact O-N 2.97Å; M617-S619 VanDerWaalsContact C-N 3.34Å; M617-S619 PolarHBondContact O-N 3.5Å; S619-G623 PolarHBondContact O-N 3.41Å
620	K	95.7	Very high	93	Very high	50 Å²	50	51.8 Å²	51.8	22%	0.217	27%	0.265	C	S	.	.	H	α-helix	trans	-61.8	-50	174.5	176.7	177.7	175.5	69.6	0	112	R590 T592 V616 M617 T618 V622 G623 D624	R590-K620 PolarHBondContact O-NZ 3.31Å; T592-K620 HydrophobicContact CG2-CB 4.43Å; T592-K620 HydrophobicContact CG2-CD 3.31Å; T592-K620 HydrophobicContact CG2-CG 4.47Å; V616-K620 PolarHBondContact O-N 3.27Å; M617-K620 PolarHBondContact O-N 3.17Å; T618-K620 VanDerWaalsContact C-N 3.33Å; T618-K620 PolarHBondContact O-N 3.08Å; K620-V622 PolarHBondContact O-N 2.99Å; K620-G623 PolarHBondContact O-N 2.93Å; K620-D624 WeakPolarHBondContact CE-OD2 3.23Å; K620-D624 WeakPolarHBondContact CG-OD2 3.47Å; K620-D624 IonicContact NZ-OD2 3.63Å; K620-D624 PolarHBondContact NZ-OD2 3.35Å; K620-D624 WeakPolarHBondContact O-CB 3.36Å; K620-D624 VanDerWaalsContact O-CG 3.3Å; K620-D624 PolarHBondContact O-N 3.27Å
621	W	95.8	Very high	93.1	Very high	175 Å²	175	47.6 Å²	47.6	66%	0.663	24%	0.239	S	C	*	.	H	α-helix	trans	-60.9	-46.2	-178.6	-68.3	-17	0	0	0	112.3	M617 T618 G623 D624 A625	M617-W621 PolarHBondContact O-N 3.49Å; T618-W621 PolarHBondContact O-N 3.4Å; W621-G623 VanDerWaalsContact C-N 3.32Å; W621-G623 PolarHBondContact O-N 3.23Å; W621-D624 PolarHBondContact O-N 3.12Å; W621-A625 PolarHBondContact O-N 3.13Å
622	V	96.8	Very high	93.1	Very high	30 Å²	30	47.7 Å²	47.7	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-45.4	176.5	171.6	0	0	0	0	110	V400 L404 T618 K620 D624 A625 F626	V400-V622 HydrophobicContact CB-CG2 4.47Å; V400-V622 HydrophobicContact CG1-CG1 4.49Å; V400-V622 HydrophobicContact CG1-CG2 4.4Å; V400-V622 HydrophobicContact CG2-CG2 4.18Å; L404-V622 HydrophobicContact CD2-CG1 3.98Å; L404-V622 HydrophobicContact CG-CG1 3.91Å; T618-V622 HydrophobicContact CG2-CG2 4.3Å; T618-V622 WeakPolarHBondContact O-CB 3.49Å; T618-V622 WeakPolarHBondContact O-CG2 3.21Å; T618-V622 PolarHBondContact O-N 3.05Å; K620-V622 PolarHBondContact O-N 2.99Å; V622-D624 PolarHBondContact O-N 3.07Å; V622-A625 WeakPolarHBondContact O-CB 3.4Å; V622-A625 PolarHBondContact O-N 3.48Å; V622-F626 HydrophobicContact CG1-CE2 4.37Å; V622-F626 VanDerWaalsContact O-CD2 3.25Å; V622-F626 WeakPolarHBondContact O-CD2 3.47Å
623	G	94.8	Very high	93	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-44.9	174.3	0	0	0	0	0	112.6	R590 S619 K620 W621 A625 F626 G627	R590-G623 VanDerWaalsContact NH1-CA 3.33Å; R590-G623 PolarHBondContact NH1-O 3.23Å; R590-G623 PolarHBondContact NH2-O 3.03Å; S619-G623 PolarHBondContact O-N 3.41Å; K620-G623 PolarHBondContact O-N 2.93Å; W621-G623 VanDerWaalsContact C-N 3.32Å; W621-G623 PolarHBondContact O-N 3.23Å; G623-A625 PolarHBondContact O-N 3.18Å; G623-F626 PolarHBondContact O-N 3.11Å; G623-G627 PolarHBondContact O-N 3.15Å
624	D	92	Very high	92.8	Very high	43 Å²	43	44.8 Å²	44.8	23%	0.23	23%	0.226	C	C	.	.	H	α-helix	trans	-67	-28.3	-172.8	-79	-18.4	0	0	0	110.3	R590 K620 W621 V622 F626 G627	R590-D624 IonicContact CZ-OD1 2.64Å; R590-D624 VanDerWaalsContact NH1-CA 3.29Å; R590-D624 IonicContact NH1-OD1 2.72Å; R590-D624 PolarHBondContact NH1-OD1 2.8Å; K620-D624 WeakPolarHBondContact CE-OD2 3.23Å; K620-D624 WeakPolarHBondContact CG-OD2 3.47Å; K620-D624 IonicContact NZ-OD2 3.63Å; K620-D624 PolarHBondContact NZ-OD2 3.35Å; K620-D624 WeakPolarHBondContact O-CB 3.36Å; K620-D624 VanDerWaalsContact O-CG 3.3Å; K620-D624 PolarHBondContact O-N 3.27Å; W621-D624 PolarHBondContact O-N 3.12Å; V622-D624 PolarHBondContact O-N 3.07Å; D624-F626 VanDerWaalsContact C-N 3.35Å; D624-F626 PolarHBondContact O-N 3.45Å; D624-G627 WeakPolarHBondContact CA-O 3.31Å; D624-G627 CarbonylContact O-C 3.5Å; D624-G627 PolarHBondContact O-N 3.23Å
625	A	92.7	Very high	92.5	Very high	86 Å²	86	44.4 Å²	44.4	71%	0.711	22%	0.219	S	C	*	.	H	α-helix	trans	-62.9	-35.9	171.6	0	0	0	0	0	113.2	W621 V622 G623	W621-A625 PolarHBondContact O-N 3.13Å; V622-A625 WeakPolarHBondContact O-CB 3.4Å; V622-A625 PolarHBondContact O-N 3.48Å; G623-A625 PolarHBondContact O-N 3.18Å
626	F	91.5	Very high	92.2	Very high	97 Å²	97	44.6 Å²	44.6	43%	0.425	22%	0.22	S	C	.	.	H	α-helix	trans	-89.1	-18.4	175.6	-68.4	-81.1	0	0	0	113.3	L404 A407 R411 V622 G623 D624	L404-F626 HydrophobicContact CD2-CD2 4.23Å; L404-F626 HydrophobicContact CD2-CE2 3.39Å; L404-F626 HydrophobicContact CD2-CZ 3.78Å; A407-F626 HydrophobicContact CB-CB 3.62Å; A407-F626 HydrophobicContact CB-CD2 4.25Å; A407-F626 HydrophobicContact CB-CG 4.12Å; R411-F626 PolarHBondContact NH2-O 3.38Å; V622-F626 HydrophobicContact CG1-CE2 4.37Å; V622-F626 VanDerWaalsContact O-CD2 3.25Å; V622-F626 WeakPolarHBondContact O-CD2 3.47Å; G623-F626 PolarHBondContact O-N 3.11Å; D624-F626 VanDerWaalsContact C-N 3.35Å; D624-F626 PolarHBondContact O-N 3.45Å
627	G	84.9	Confident	91.7	Very high	31 Å²	31	49.8 Å²	49.8	32%	0.32	24%	0.24	S	C	.	.			trans	171.1	131.6	177.6	0	0	0	0	0	110.8	R590 G623 D624 E629	R590-G627 PolarHBondContact NH1-O 3.41Å; R590-G627 VanDerWaalsContact NH1-O 3.13Å; R590-G627 PolarHBondContact NH2-O 2.94Å; G623-G627 PolarHBondContact O-N 3.15Å; D624-G627 WeakPolarHBondContact CA-O 3.31Å; D624-G627 CarbonylContact O-C 3.5Å; D624-G627 PolarHBondContact O-N 3.23Å; G627-E629 PolarHBondContact O-N 3.26Å
628	R	81.8	Confident	91.2	Very high	218 Å²	218	47.8 Å²	47.8	82%	0.823	23%	0.23	S	C	*	.	S	Bend	trans	-74.4	-10.4	-176.4	-66.6	-178.8	170.8	152.8	-3.1	114.4
629	E	86.4	Confident	90.5	Very high	67 Å²	67	49.1 Å²	49.1	31%	0.313	24%	0.236	S	C	.	.			trans	-94.1	134.2	-170.8	-65.2	165.3	-160.7	0	0	111.4	G627 E633 R637	G627-E629 PolarHBondContact O-N 3.26Å; E629-E633 HydrophobicContact CB-CB 4.48Å; E629-R637 IonicContact OE1-CZ 3.19Å; E629-R637 IonicContact OE1-NE 2.8Å; E629-R637 IonicContact OE1-NH1 3.13Å; E629-R637 PolarHBondContact OE1-NH1 3.16Å; E629-R637 IonicContact OE1-NH2 2.76Å; E629-R637 PolarHBondContact OE1-NH2 3.25Å; E629-R637 IonicContact OE2-CZ 2.84Å; E629-R637 IonicContact OE2-NE 3.99Å; E629-R637 PolarHBondContact OE2-NE 3.29Å; E629-R637 IonicContact OE2-NH1 3.32Å; E629-R637 PolarHBondContact OE2-NH1 3.05Å; E629-R637 IonicContact OE2-NH2 2.73Å; E629-R637 PolarHBondContact OE2-NH2 3.44Å
630	G	91.4	Very high	89.7	Confident	3 Å²	3	49.8 Å²	49.8	3%	0.031	24%	0.243	C	C	.	.			trans	-76.3	167.4	166.8	0	0	0	0	0	112.6	Y632 E633 A634	G630-Y632 VanDerWaalsContact C-N 3.25Å; G630-Y632 PolarHBondContact O-N 3.48Å; G630-E633 PolarHBondContact N-OE2 3.49Å; G630-E633 PolarHBondContact O-N 3.01Å; G630-A634 WeakPolarHBondContact O-CB 3.41Å; G630-A634 PolarHBondContact O-N 3.35Å
631	I	93.2	Very high	89.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.8	-36.7	179.1	-172.3	60.9	0	0	0	113.7	F409 I410 F520 L528 V588 H635	F409-I631 HydrophobicContact CD1-CD1 4.38Å; F409-I631 HydrophobicContact CE1-CD1 3.82Å; F409-I631 HydrophobicContact CE1-CG1 4.11Å; I410-I631 HydrophobicContact CG1-CB 4.14Å; I410-I631 HydrophobicContact CG1-CD1 4.14Å; F520-I631 HydrophobicContact CD1-CD1 4.27Å; F520-I631 HydrophobicContact CD1-CG1 4.23Å; F520-I631 HydrophobicContact CE1-CD1 3.94Å; F520-I631 HydrophobicContact CE1-CG1 3.55Å; F520-I631 HydrophobicContact CZ-CG1 4.3Å; L528-I631 HydrophobicContact CD2-CB 4.25Å; L528-I631 HydrophobicContact CD2-CG1 3.72Å; L528-I631 HydrophobicContact CD2-CG2 3.87Å; V588-I631 HydrophobicContact CG1-CB 4.18Å; V588-I631 HydrophobicContact CG1-CG2 3.98Å; V588-I631 WeakPolarHBondContact O-CG2 3.45Å; V588-I631 PolarHBondContact O-N 2.85Å; I631-H635 PolarHBondContact O-N 2.8Å; I631-H635 PolarHBondContact O-ND1 3.46Å
632	Y	92.1	Very high	88.2	Confident	3 Å²	3	41.5 Å²	41.5	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-70.7	-42.5	-178.8	-61.8	-55.5	0	0	0	111.8	I243 P244 F529 T589 G630 A634 H635 I636	I243-Y632 HydrophobicContact CB-CD1 4.12Å; I243-Y632 HydrophobicContact CB-CE1 3.99Å; I243-Y632 HydrophobicContact CD1-CE1 4.07Å; I243-Y632 HydrophobicContact CD1-CE2 4.36Å; I243-Y632 HydrophobicContact CG2-CD1 4.07Å; I243-Y632 HydrophobicContact CG2-CD2 4.11Å; I243-Y632 HydrophobicContact CG2-CE1 4.2Å; I243-Y632 HydrophobicContact CG2-CE2 4.24Å; I243-Y632 HydrophobicContact CG2-CG 4.03Å; P244-Y632 HydrophobicContact CG-CD1 3.87Å; F529-Y632 WeakPolarHBondContact CE2-OH 3.39Å; F529-Y632 HydrophobicContact CZ-CE2 4.31Å; F529-Y632 VanDerWaalsContact CZ-OH 3.3Å; F529-Y632 WeakPolarHBondContact CZ-OH 3.3Å; T589-Y632 HydrophobicContact CG2-CE2 4Å; G630-Y632 VanDerWaalsContact C-N 3.25Å; G630-Y632 PolarHBondContact O-N 3.48Å; Y632-A634 VanDerWaalsContact C-N 3.34Å; Y632-H635 PolarHBondContact O-N 2.84Å; Y632-I636 VanDerWaalsContact O-CG1 3.31Å; Y632-I636 WeakPolarHBondContact O-CG1 3.35Å; Y632-I636 PolarHBondContact O-N 2.89Å
633	E	89.8	Confident	87.4	Confident	19 Å²	19	41.7 Å²	41.7	9%	0.089	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-39.7	174.8	-74.9	153.8	-164.9	0	0	111.6	K247 E629 G630 H635 I636 R637	K247-E633 IonicContact NZ-OE1 3.47Å; K247-E633 PolarHBondContact NZ-OE1 3.16Å; E629-E633 HydrophobicContact CB-CB 4.48Å; G630-E633 PolarHBondContact N-OE2 3.49Å; G630-E633 PolarHBondContact O-N 3.01Å; E633-H635 VanDerWaalsContact C-N 3.29Å; E633-H635 PolarHBondContact O-N 3.32Å; E633-I636 WeakPolarHBondContact O-CB 3.45Å; E633-I636 PolarHBondContact O-N 3.47Å; E633-R637 PolarHBondContact O-N 3Å; E633-R637 VanDerWaalsContact O-N 3.08Å
634	A	90.6	Very high	86.6	Confident	8 Å²	8	41.9 Å²	41.9	7%	0.066	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-38.5	174.7	0	0	0	0	0	111.8	I410 I414 G630 Y632 L638	I410-A634 HydrophobicContact CG2-CB 4.04Å; I414-A634 HydrophobicContact CD1-CB 3.66Å; I414-A634 HydrophobicContact CG1-CB 3.83Å; G630-A634 WeakPolarHBondContact O-CB 3.41Å; G630-A634 PolarHBondContact O-N 3.35Å; Y632-A634 VanDerWaalsContact C-N 3.34Å; A634-L638 WeakPolarHBondContact O-CB 3.35Å; A634-L638 PolarHBondContact O-N 3.5Å
635	H	89.9	Confident	85.7	Confident	19 Å²	19	41 Å²	41	9%	0.088	21%	0.206	C	C	.	.	H	α-helix	trans	-70.1	-39.6	174.7	-84.2	70.9	0	0	0	113.5	P244 N413 F520 I631 Y632 E633 R637 L638 N639	P244-H635 HydrophobicContact CG-CB 4.15Å; N413-H635 PolarHBondContact OD1-CE1 3.16Å; F520-H635 AromaticContact CD1-CE1 3.67Å; F520-H635 AromaticContact CD1-NE2 3.9Å; F520-H635 AromaticContact CE1-CE1 3.21Å; F520-H635 WeakPolarHBondContact CE1-CE1 3.37Å; F520-H635 AromaticContact CE1-ND1 3.72Å; F520-H635 AromaticContact CE1-NE2 3.53Å; I631-H635 PolarHBondContact O-N 2.8Å; I631-H635 PolarHBondContact O-ND1 3.46Å; Y632-H635 PolarHBondContact O-N 2.84Å; E633-H635 VanDerWaalsContact C-N 3.29Å; E633-H635 PolarHBondContact O-N 3.32Å; H635-R637 VanDerWaalsContact C-N 3.26Å; H635-R637 PolarHBondContact O-N 2.9Å; H635-L638 PolarHBondContact O-N 3.48Å; H635-N639 WeakPolarHBondContact O-CB 3.23Å; H635-N639 PolarHBondContact O-N 3.41Å
636	I	89.4	Confident	84.4	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-54.7	-47.7	173.9	-72.2	172.3	0	0	0	109.7	P244 K247 T248 Y632 E633 N639 G640 Y641 F643	P244-I636 HydrophobicContact CB-CG1 3.79Å; K247-I636 HydrophobicContact CB-CD1 4.23Å; K247-I636 HydrophobicContact CD-CD1 4.02Å; K247-I636 HydrophobicContact CG-CD1 4.21Å; T248-I636 HydrophobicContact CG2-CD1 4.11Å; T248-I636 HydrophobicContact CG2-CG1 4.04Å; T248-I636 HydrophobicContact CG2-CG2 4.02Å; Y632-I636 VanDerWaalsContact O-CG1 3.31Å; Y632-I636 WeakPolarHBondContact O-CG1 3.35Å; Y632-I636 PolarHBondContact O-N 2.89Å; E633-I636 WeakPolarHBondContact O-CB 3.45Å; E633-I636 PolarHBondContact O-N 3.47Å; I636-N639 PolarHBondContact O-N 3.18Å; I636-G640 PolarHBondContact O-N 3.33Å; I636-G640 VanDerWaalsContact O-N 3.17Å; I636-Y641 PolarHBondContact O-N 3.23Å; I636-F643 HydrophobicContact CD1-CD1 4.32Å; I636-F643 HydrophobicContact CD1-CD2 4.49Å; I636-F643 HydrophobicContact CD1-CG 4.26Å; I636-F643 HydrophobicContact CG2-CB 3.43Å; I636-F643 VanDerWaalsContact CG2-CB 3.43Å; I636-F643 HydrophobicContact CG2-CD1 4.27Å; I636-F643 HydrophobicContact CG2-CG 3.98Å
637	R	85.8	Confident	83.2	Confident	111 Å²	111	39.8 Å²	39.8	42%	0.419	19%	0.193	S	C	.	.	H	α-helix	trans	-68.4	-42.3	178.4	-167.2	-171.4	-34.9	-123	-27.7	113	E629 E633 H635 N639 G640	E629-R637 IonicContact OE1-CZ 3.19Å; E629-R637 IonicContact OE1-NE 2.8Å; E629-R637 IonicContact OE1-NH1 3.13Å; E629-R637 PolarHBondContact OE1-NH1 3.16Å; E629-R637 IonicContact OE1-NH2 2.76Å; E629-R637 PolarHBondContact OE1-NH2 3.25Å; E629-R637 IonicContact OE2-CZ 2.84Å; E629-R637 IonicContact OE2-NE 3.99Å; E629-R637 PolarHBondContact OE2-NE 3.29Å; E629-R637 IonicContact OE2-NH1 3.32Å; E629-R637 PolarHBondContact OE2-NH1 3.05Å; E629-R637 IonicContact OE2-NH2 2.73Å; E629-R637 PolarHBondContact OE2-NH2 3.44Å; E633-R637 PolarHBondContact O-N 3Å; E633-R637 VanDerWaalsContact O-N 3.08Å; H635-R637 VanDerWaalsContact C-N 3.26Å; H635-R637 PolarHBondContact O-N 2.9Å; R637-N639 PolarHBondContact O-N 2.96Å; R637-G640 PolarHBondContact O-N 2.83Å
638	L	85.9	Confident	82.4	Confident	18 Å²	18	41.4 Å²	41.4	9%	0.094	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-32	176.5	-178.5	66.4	0	0	0	112.1	I414 C417 R418 K421 A634 H635 G640	I414-L638 HydrophobicContact CD1-CB 4.37Å; I414-L638 HydrophobicContact CD1-CD2 4.1Å; C417-L638 HydrophobicContact CB-CD2 3.4Å; R418-L638 HydrophobicContact CB-CD1 4.18Å; K421-L638 PolarHBondContact NZ-O 2.83Å; A634-L638 WeakPolarHBondContact O-CB 3.35Å; A634-L638 PolarHBondContact O-N 3.5Å; H635-L638 PolarHBondContact O-N 3.48Å; L638-G640 VanDerWaalsContact C-N 3.33Å
639	N	83.8	Confident	81.6	Confident	49 Å²	49	38.9 Å²	38.9	26%	0.262	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-6.3	175.4	-70.9	-16.5	0	0	0	113.6	K421 H635 I636 R637 Y641	K421-N639 PolarHBondContact NZ-OD1 2.89Å; H635-N639 WeakPolarHBondContact O-CB 3.23Å; H635-N639 PolarHBondContact O-N 3.41Å; I636-N639 PolarHBondContact O-N 3.18Å; R637-N639 PolarHBondContact O-N 2.96Å; N639-Y641 VanDerWaalsContact C-N 3.25Å; N639-Y641 HydrophobicContact CB-CD1 4.41Å; N639-Y641 HydrophobicContact CB-CD2 3.81Å; N639-Y641 HydrophobicContact CB-CE1 4.24Å; N639-Y641 HydrophobicContact CB-CE2 3.62Å; N639-Y641 HydrophobicContact CB-CG 4.19Å; N639-Y641 PolarHBondContact O-N 2.95Å
640	G	80.1	Confident	80.6	Confident	14 Å²	14	36.3 Å²	36.3	14%	0.144	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	26	-178.6	0	0	0	0	0	113	Y87 I636 R637 L638	Y87-G640 VanDerWaalsContact CE1-O 3.25Å; Y87-G640 WeakPolarHBondContact CE1-O 3.48Å; I636-G640 PolarHBondContact O-N 3.33Å; I636-G640 VanDerWaalsContact O-N 3.17Å; R637-G640 PolarHBondContact O-N 2.83Å; L638-G640 VanDerWaalsContact C-N 3.33Å
641	Y	82.3	Confident	79.3	Confident	51 Å²	51	41.5 Å²	41.5	20%	0.2	21%	0.209	C	C	.	.			trans	-73.3	135.6	177.3	-66	-36.2	0	0	0	110.5	F90 E245 T248 I636 N639 F643	F90-Y641 HydrophobicContact CE1-CD1 4.17Å; F90-Y641 HydrophobicContact CE1-CE1 4.44Å; F90-Y641 HydrophobicContact CE2-CD1 4.41Å; F90-Y641 AromaticContact CZ-CD1 3.61Å; F90-Y641 HydrophobicContact CZ-CD1 3.61Å; F90-Y641 AromaticContact CZ-CE1 3.91Å; F90-Y641 HydrophobicContact CZ-CE1 3.91Å; E245-Y641 HydrophobicContact CG-CE2 3.91Å; T248-Y641 HydrophobicContact CG2-CD2 4.04Å; T248-Y641 HydrophobicContact CG2-CG 4.17Å; I636-Y641 PolarHBondContact O-N 3.23Å; N639-Y641 VanDerWaalsContact C-N 3.25Å; N639-Y641 HydrophobicContact CB-CD1 4.41Å; N639-Y641 HydrophobicContact CB-CD2 3.81Å; N639-Y641 HydrophobicContact CB-CE1 4.24Å; N639-Y641 HydrophobicContact CB-CE2 3.62Å; N639-Y641 HydrophobicContact CB-CG 4.19Å; N639-Y641 PolarHBondContact O-N 2.95Å; Y641-F643 PolarHBondContact O-N 3.4Å; Y641-F643 VanDerWaalsContact O-N 3.13Å
642	P	77	Confident	78.1	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	22%	0.223	C	C	.	.			trans	-69.6	116.5	176.2	26.6	-29.6	0	0	0	107.4	Y87 F90 F253 L803	Y87-P642 HydrophobicContact CD1-CB 3.45Å; Y87-P642 VanDerWaalsContact CD1-CB 3.45Å; Y87-P642 HydrophobicContact CD1-CG 3.69Å; Y87-P642 VanDerWaalsContact CE1-CA 3.47Å; Y87-P642 HydrophobicContact CE1-CB 3.45Å; Y87-P642 VanDerWaalsContact CE1-CB 3.45Å; Y87-P642 HydrophobicContact CE1-CG 4.01Å; Y87-P642 HydrophobicContact CG-CB 4.47Å; F90-P642 HydrophobicContact CB-CG 4.1Å; F90-P642 HydrophobicContact CD2-CG 3.97Å; F90-P642 HydrophobicContact CG-CG 3.96Å; F253-P642 HydrophobicContact CD1-CB 4.25Å; F253-P642 HydrophobicContact CD1-CG 3.59Å; F253-P642 HydrophobicContact CD2-CB 4.49Å; F253-P642 HydrophobicContact CD2-CG 4.18Å; F253-P642 WeakPolarHBondContact CD2-O 3.26Å; F253-P642 HydrophobicContact CE1-CB 3.62Å; F253-P642 HydrophobicContact CE1-CG 3.47Å; F253-P642 VanDerWaalsContact CE1-CG 3.47Å; F253-P642 HydrophobicContact CE2-CB 3.93Å; F253-P642 HydrophobicContact CE2-CG 4.11Å; F253-P642 WeakPolarHBondContact CE2-O 3.38Å; F253-P642 HydrophobicContact CG-CG 3.95Å; F253-P642 HydrophobicContact CZ-CB 3.45Å; F253-P642 VanDerWaalsContact CZ-CB 3.45Å; F253-P642 HydrophobicContact CZ-CG 3.76Å; P642-L803 HydrophobicContact CB-CD1 3.53Å
643	F	79.8	Confident	77.3	Confident	33 Å²	33	51 Å²	51	15%	0.145	26%	0.263	C	S	.	.			trans	-144.5	117.6	179.9	179.5	-108.2	0	0	0	108.5	K247 I636 Y641 D645 L803	K247-F643 HydrophobicContact CD-CE2 4.46Å; K247-F643 HydrophobicContact CD-CZ 4.15Å; K247-F643 VanDerWaalsContact CE-CZ 3.49Å; K247-F643 HydrophobicContact CG-CE2 3.82Å; K247-F643 HydrophobicContact CG-CZ 4Å; I636-F643 HydrophobicContact CD1-CD1 4.32Å; I636-F643 HydrophobicContact CD1-CD2 4.49Å; I636-F643 HydrophobicContact CD1-CG 4.26Å; I636-F643 HydrophobicContact CG2-CB 3.43Å; I636-F643 VanDerWaalsContact CG2-CB 3.43Å; I636-F643 HydrophobicContact CG2-CD1 4.27Å; I636-F643 HydrophobicContact CG2-CG 3.98Å; Y641-F643 PolarHBondContact O-N 3.4Å; Y641-F643 VanDerWaalsContact O-N 3.13Å; F643-D645 HydrophobicContact CD1-CB 4.26Å; F643-D645 HydrophobicContact CE1-CB 3.71Å; F643-D645 HydrophobicContact CZ-CB 4.49Å; F643-L803 VanDerWaalsContact O-CD2 3.3Å; F643-L803 WeakPolarHBondContact O-CD2 3.5Å
644	L	77.9	Confident	77.2	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.021	27%	0.267	C	S	.	.			trans	-96.1	104.4	173.9	-173.4	65.4	0	0	0	106.4	V774 F777 R778 I802 L803 L806	L644-V774 HydrophobicContact CD1-CG1 4.34Å; L644-V774 HydrophobicContact CD2-CG1 4.44Å; L644-F777 HydrophobicContact CD2-CB 4.32Å; L644-R778 HydrophobicContact CD2-CG 3.72Å; L644-R778 HydrophobicContact CG-CG 4.08Å; L644-I802 HydrophobicContact CD1-CG2 4.09Å; L644-L803 HydrophobicContact CB-CD2 4.19Å; L644-L803 HydrophobicContact CD1-CD2 4.13Å; L644-L806 HydrophobicContact CD1-CD1 3.67Å
645	D	73.9	Confident	77.2	Confident	26 Å²	26	53 Å²	53	14%	0.139	27%	0.274	C	S	.	.			trans	-65.8	139.1	-178.8	-166.1	-4.4	0	0	0	110.3	F643 K647 E648 R778	F643-D645 HydrophobicContact CD1-CB 4.26Å; F643-D645 HydrophobicContact CE1-CB 3.71Å; F643-D645 HydrophobicContact CZ-CB 4.49Å; D645-K647 PolarHBondContact OD1-N 3.11Å; D645-E648 HydrophobicContact CB-CB 4.19Å; D645-R778 PolarHBondContact O-NE 3.1Å; D645-R778 PolarHBondContact O-NH2 3.09Å
646	A	65.8	Low	77.2	Confident	49 Å²	49	52 Å²	52	41%	0.405	27%	0.27	S	S	.	.	S	Bend	trans	-75.6	-29.8	173.3	0	0	0	0	0	112.1	Y344	Y344-A646 HydrophobicContact CD2-CB 3.61Å; Y344-A646 HydrophobicContact CE2-CB 3.38Å
647	K	65.9	Low	77.1	Confident	107 Å²	107	58 Å²	58	47%	0.465	29%	0.292	S	S	.	.	S	Bend	trans	-84	-14.6	-170.8	-59.5	178.7	-178	178.6	0	112.8	E340 E341 D645 E649	E340-K647 PolarHBondContact O-NZ 3.48Å; E341-K647 IonicContact OE1-NZ 3.27Å; E341-K647 PolarHBondContact OE1-NZ 3.1Å; E341-K647 IonicContact OE2-NZ 3.99Å; D645-K647 PolarHBondContact OD1-N 3.11Å; K647-E649 PolarHBondContact O-N 3.02Å
648	E	68	Low	77.2	Confident	66 Å²	66	55.9 Å²	55.9	31%	0.308	29%	0.289	S	S	.	.			trans	-84.8	112.9	-176.1	-168.5	170.8	-159.2	0	0	111.3	D645 R778 K810	D645-E648 HydrophobicContact CB-CB 4.19Å; E648-R778 PolarHBondContact O-NH1 3.4Å; E648-R778 PolarHBondContact O-NH2 3.42Å; E648-K810 WeakPolarHBondContact OE1-CE 3.29Å; E648-K810 IonicContact OE1-NZ 2.84Å; E648-K810 PolarHBondContact OE1-NZ 3.04Å; E648-K810 IonicContact OE2-NZ 3.91Å; E648-K810 PolarHBondContact OE2-NZ 3.27Å
649	E	64.9	Low	77.3	Confident	164 Å²	164	55.1 Å²	55.1	77%	0.766	29%	0.285	S	S	*	.			trans	-71.9	132.7	173.1	-69.6	177.2	178.9	0	0	110.7	K647 T651	K647-E649 PolarHBondContact O-N 3.02Å; E649-T651 PolarHBondContact O-N 2.99Å
650	F	65.3	Low	77.6	Confident	14 Å²	14	54 Å²	54	6%	0.061	28%	0.279	C	S	.	.			trans	-85.4	101	177.6	-166.1	-92.7	0	0	0	109.1	H652 T654 M770 E771 V774 L806 L809	F650-H652 HydrophobicContact CD1-CB 4.29Å; F650-H652 WeakPolarHBondContact CD1-O 3.26Å; F650-H652 HydrophobicContact CE1-CB 3.66Å; F650-H652 WeakPolarHBondContact CE1-O 3.34Å; F650-H652 HydrophobicContact CZ-CB 3.88Å; F650-T654 WeakPolarHBondContact CZ-OG1 3.43Å; F650-M770 HydrophobicContact CD1-CB 4.22Å; F650-M770 HydrophobicContact CE1-CB 3.48Å; F650-M770 VanDerWaalsContact CE1-CB 3.48Å; F650-M770 HydrophobicContact CZ-CB 3.71Å; F650-E771 HydrophobicContact CB-CB 4.26Å; F650-E771 HydrophobicContact CB-CG 4.32Å; F650-E771 HydrophobicContact CD1-CB 4.16Å; F650-V774 HydrophobicContact CD2-CG2 4.18Å; F650-V774 HydrophobicContact CE2-CG2 4.48Å; F650-L806 HydrophobicContact CD2-CD2 3.66Å; F650-L806 HydrophobicContact CE2-CD2 3.46Å; F650-L806 VanDerWaalsContact CE2-CD2 3.46Å; F650-L806 HydrophobicContact CE2-CG 4.39Å; F650-L809 HydrophobicContact CE2-CD1 4.31Å; F650-L809 HydrophobicContact CZ-CD1 4.07Å
651	T	63.6	Low	78.1	Confident	112 Å²	112	56.7 Å²	56.7	69%	0.687	28%	0.284	S	S	*	.			trans	-89.6	-2.1	-175.6	50.3	0	0	0	0	114	E649	E649-T651 PolarHBondContact O-N 2.99Å
652	H	69.3	Low	78.3	Confident	62 Å²	62	55.5 Å²	55.5	29%	0.287	28%	0.283	S	S	.	.			trans	-92	147.9	-173.7	-58.4	-74.6	0	0	0	112.7	F650 T654 L809	F650-H652 HydrophobicContact CD1-CB 4.29Å; F650-H652 WeakPolarHBondContact CD1-O 3.26Å; F650-H652 HydrophobicContact CE1-CB 3.66Å; F650-H652 WeakPolarHBondContact CE1-O 3.34Å; F650-H652 HydrophobicContact CZ-CB 3.88Å; H652-T654 VanDerWaalsContact C-N 3.32Å; H652-T654 PolarHBondContact O-N 3.48Å; H652-L809 HydrophobicContact CB-CD1 4.16Å
653	T	75.5	Confident	78.5	Confident	139 Å²	139	59.1 Å²	59.1	85%	0.853	30%	0.297	S	S	*	.			trans	-89.1	15.4	-175.9	52.4	0	0	0	0	114.5
654	T	85.7	Confident	78.2	Confident	26 Å²	26	64.3 Å²	64.3	16%	0.16	34%	0.337	C	S	.	.			trans	-68.2	149.3	-177.5	55.7	0	0	0	0	112.1	F650 H652 M770 H805 L809	F650-T654 WeakPolarHBondContact CZ-OG1 3.43Å; H652-T654 VanDerWaalsContact C-N 3.32Å; H652-T654 PolarHBondContact O-N 3.48Å; T654-M770 VanDerWaalsContact O-CB 3.26Å; T654-M770 WeakPolarHBondContact O-CB 3.42Å; T654-M770 VanDerWaalsContact O-CG 3.3Å; T654-M770 WeakPolarHBondContact O-CG 3.46Å; T654-M770 PolarHBondContact O-N 2.92Å; T654-M770 WeakPolarHBondContact OG1-CG 3.36Å; T654-H805 PolarHBondContact OG1-NE2 3.24Å; T654-L809 HydrophobicContact CG2-CD2 4.47Å
655	L	90.8	Very high	78	Confident	43 Å²	43	69.1 Å²	69.1	23%	0.225	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-103.2	161.5	-178.1	-61.8	173.8	0	0	0	111.7	R657 D658	L655-R657 HydrophobicContact CB-CG 4.11Å; L655-R657 PolarHBondContact O-N 3.34Å; L655-D658 PolarHBondContact N-OD2 3.25Å; L655-D658 WeakPolarHBondContact O-CB 3.33Å; L655-D658 PolarHBondContact O-N 3.03Å
656	A	89.6	Confident	78.3	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-52.8	-38.6	176.9	0	0	0	0	0	112.9	D658 V659 M660 V764 T768 V773 I797	A656-D658 PolarHBondContact O-N 3.48Å; A656-V659 PolarHBondContact O-N 3.17Å; A656-M660 PolarHBondContact O-N 3.46Å; A656-V764 HydrophobicContact CB-CG2 4.33Å; A656-T768 PolarHBondContact N-O 2.95Å; A656-V773 HydrophobicContact CB-CG2 4.12Å; A656-I797 HydrophobicContact CB-CD1 3.97Å
657	R	89.2	Confident	78.9	Confident	129 Å²	129	72.5 Å²	72.5	49%	0.487	39%	0.387	S	S	.	.	H	α-helix	trans	-62.4	-25	178	73.8	-178.7	-172.7	178.8	-2.2	114.6	L655 M660 D766	L655-R657 HydrophobicContact CB-CG 4.11Å; L655-R657 PolarHBondContact O-N 3.34Å; R657-M660 HydrophobicContact CB-CE 4.18Å; R657-D766 HydrophobicContact CB-CB 4.19Å; R657-D766 PolarHBondContact N-O 2.8Å
658	D	87.2	Confident	79.7	Confident	67 Å²	67	73 Å²	73	36%	0.358	40%	0.402	S	S	.	.	H	α-helix	trans	-80.7	-24.3	-176.7	-53.5	-34.3	0	0	0	111.1	L655 A656	L655-D658 PolarHBondContact N-OD2 3.25Å; L655-D658 WeakPolarHBondContact O-CB 3.33Å; L655-D658 PolarHBondContact O-N 3.03Å; A656-D658 PolarHBondContact O-N 3.48Å
659	V	88	Confident	80.6	Confident	1 Å²	1	72 Å²	72	1%	0.006	40%	0.398	C	S	.	.	H	α-helix	trans	-102	-27	-175.4	-176	0	0	0	0	112.6	A656 M770 N801 H805	A656-V659 PolarHBondContact O-N 3.17Å; V659-M770 HydrophobicContact CB-CE 4.16Å; V659-M770 HydrophobicContact CB-SD 3.88Å; V659-M770 HydrophobicContact CG1-CE 4.12Å; V659-M770 HydrophobicContact CG1-SD 4.48Å; V659-M770 HydrophobicContact CG2-CE 3.89Å; V659-M770 HydrophobicContact CG2-CG 3.78Å; V659-M770 HydrophobicContact CG2-SD 3.58Å; V659-M770 VanDerWaalsContact CG2-SD 3.58Å; V659-N801 HydrophobicContact CG1-CB 4.32Å; V659-H805 HydrophobicContact CG1-CB 4.05Å; V659-H805 HydrophobicContact CG2-CB 4.18Å; V659-H805 VanDerWaalsContact CG2-CD2 3.46Å; V659-H805 WeakPolarHBondContact CG2-CD2 3.42Å
660	M	90.6	Very high	81.7	Confident	27 Å²	27	65.3 Å²	65.3	13%	0.133	37%	0.371	C	S	.	.	S	Bend	trans	-59.1	150.5	-177.5	74.9	179.8	179.5	0	0	113.2	A656 R657 V787 L794 I797	A656-M660 PolarHBondContact O-N 3.46Å; R657-M660 HydrophobicContact CB-CE 4.18Å; M660-V787 HydrophobicContact CB-CB 4.4Å; M660-V787 HydrophobicContact CB-CG2 3.79Å; M660-V787 HydrophobicContact SD-CB 3.74Å; M660-V787 HydrophobicContact SD-CG1 3.67Å; M660-V787 HydrophobicContact SD-CG2 4.14Å; M660-L794 HydrophobicContact CE-CB 3.95Å; M660-L794 HydrophobicContact CE-CD1 4.41Å; M660-L794 HydrophobicContact SD-CB 3.92Å; M660-I797 HydrophobicContact CB-CD1 4.36Å; M660-I797 HydrophobicContact CB-CG1 3.79Å
661	R	88.9	Confident	82.9	Confident	69 Å²	69	66.8 Å²	66.8	26%	0.26	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-111	140.1	171.2	-65.8	-66.9	-172.6	157.7	3.9	110.2	D666 G795 I796 E804	R661-D666 WeakPolarHBondContact CD-OD2 3.47Å; R661-D666 IonicContact CZ-OD2 3.49Å; R661-D666 IonicContact NE-OD2 2.9Å; R661-D666 IonicContact NH1-OD1 3.46Å; R661-D666 IonicContact NH1-OD2 3.24Å; R661-D666 PolarHBondContact NH1-OD2 3.32Å; R661-G795 CarbonylContact O-C 3.39Å; R661-G795 WeakPolarHBondContact O-CA 3.46Å; R661-I796 PolarHBondContact N-O 2.9Å; R661-I796 PolarHBondContact O-N 3.46Å; R661-E804 IonicContact NH2-OE2 3.88Å
662	P	87.1	Confident	84.2	Confident	27 Å²	27	61.4 Å²	61.4	18%	0.175	35%	0.348	C	S	.	.	S	Bend	cis	-74.7	146.5	1	32.1	-37	0	0	0	113.2	D666 P667 L669	P662-D666 HydrophobicContact CB-CB 3.67Å; P662-P667 WeakPolarHBondContact CB-O 3.37Å; P662-L669 HydrophobicContact CG-CB 4.18Å
663	R	81.1	Confident	85.2	Confident	77 Å²	77	58.8 Å²	58.8	29%	0.291	34%	0.336	S	S	.	.			trans	-72.4	164.4	163.4	-68.8	-177.2	174.6	173.3	0.7	108.9	S665 D666 E808	R663-S665 PolarHBondContact O-N 3.42Å; R663-D666 PolarHBondContact N-OD2 3.29Å; R663-D666 WeakPolarHBondContact O-CB 3.34Å; R663-D666 PolarHBondContact O-N 3.5Å; R663-E808 IonicContact CZ-OE2 3.85Å; R663-E808 IonicContact NH1-OE1 2.72Å; R663-E808 IonicContact NH1-OE2 2.86Å; R663-E808 IonicContact NH2-OE2 2.94Å; R663-E808 PolarHBondContact NH2-OE2 3.14Å
664	S	74.4	Confident	85.7	Confident	142 Å²	142	53.9 Å²	53.9	99%	0.993	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-19.1	177.9	-52.8	0	0	0	0	114.4
665	S	72.8	Confident	85.6	Confident	104 Å²	104	55.5 Å²	55.5	73%	0.727	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-11.8	176.3	58.8	0	0	0	0	115	R663	R663-S665 PolarHBondContact O-N 3.42Å
666	D	79.8	Confident	85.2	Confident	52 Å²	52	58 Å²	58	28%	0.278	33%	0.325	S	S	.	.	S	Bend	trans	-92.8	158.9	-174.3	-66.7	-20.6	0	0	0	110.9	R661 P662 R663	R661-D666 WeakPolarHBondContact CD-OD2 3.47Å; R661-D666 IonicContact CZ-OD2 3.49Å; R661-D666 IonicContact NE-OD2 2.9Å; R661-D666 IonicContact NH1-OD1 3.46Å; R661-D666 IonicContact NH1-OD2 3.24Å; R661-D666 PolarHBondContact NH1-OD2 3.32Å; P662-D666 HydrophobicContact CB-CB 3.67Å; R663-D666 PolarHBondContact N-OD2 3.29Å; R663-D666 WeakPolarHBondContact O-CB 3.34Å; R663-D666 PolarHBondContact O-N 3.5Å
667	P	79.4	Confident	85	Confident	94 Å²	94	58.6 Å²	58.6	61%	0.61	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-58.4	150.2	173	24.7	-34.8	0	0	0	111.7	P662	P662-P667 WeakPolarHBondContact CB-O 3.37Å
668	P	82.8	Confident	85	Confident	119 Å²	119	54 Å²	54	77%	0.773	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-59.2	151.6	-177.8	25.9	-34.8	0	0	0	111.8	A670	P668-A670 PolarHBondContact O-N 3.22Å
669	L	86.2	Confident	85	Confident	43 Å²	43	50.9 Å²	50.9	23%	0.225	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-60.1	127	-178.7	-172.8	65	0	0	0	110.3	P662 V671 P695 V793 I796	P662-L669 HydrophobicContact CG-CB 4.18Å; L669-V671 HydrophobicContact CB-CG1 4.24Å; L669-V671 HydrophobicContact CD2-CG1 4.02Å; L669-V671 HydrophobicContact CG-CG1 4Å; L669-V671 WeakPolarHBondContact O-CG1 3.49Å; L669-V671 PolarHBondContact O-N 3.5Å; L669-V671 VanDerWaalsContact O-N 3.13Å; L669-P695 HydrophobicContact CD2-CG 3.87Å; L669-P695 HydrophobicContact CG-CG 4.39Å; L669-V793 HydrophobicContact CD2-CG1 3.77Å; L669-I796 HydrophobicContact CD1-CD1 3.85Å; L669-I796 HydrophobicContact CD1-CG1 3.84Å; L669-I796 HydrophobicContact CD2-CD1 4.3Å; L669-I796 HydrophobicContact CD2-CG1 4Å
670	A	87.7	Confident	85	Confident	24 Å²	24	56.6 Å²	56.6	20%	0.198	32%	0.324	C	S	.	.			trans	-67.9	110.6	172.6	0	0	0	0	0	109.4	P668 T689 Y691 F694 P695	P668-A670 PolarHBondContact O-N 3.22Å; A670-T689 HydrophobicContact CB-CG2 4.31Å; A670-Y691 HydrophobicContact CB-CD2 4.14Å; A670-Y691 HydrophobicContact CB-CE2 4.18Å; A670-F694 HydrophobicContact CB-CD1 4.1Å; A670-F694 HydrophobicContact CB-CE1 4.2Å; A670-P695 WeakPolarHBondContact O-CD 3.48Å
671	V	90.4	Very high	85	Confident	45 Å²	45	60.2 Å²	60.2	27%	0.273	34%	0.341	S	S	.	.			trans	-122	151.7	-176.5	-63	0	0	0	0	110.6	L669 P695 I697	L669-V671 HydrophobicContact CB-CG1 4.24Å; L669-V671 HydrophobicContact CD2-CG1 4.02Å; L669-V671 HydrophobicContact CG-CG1 4Å; L669-V671 WeakPolarHBondContact O-CG1 3.49Å; L669-V671 PolarHBondContact O-N 3.5Å; L669-V671 VanDerWaalsContact O-N 3.13Å; V671-P695 HydrophobicContact CB-CG 4.43Å; V671-P695 HydrophobicContact CG1-CG 3.74Å; V671-I697 HydrophobicContact CB-CD1 4.02Å; V671-I697 HydrophobicContact CB-CG1 4.26Å; V671-I697 HydrophobicContact CG2-CD1 3.57Å; V671-I697 HydrophobicContact CG2-CG1 4.26Å
672	L	91.4	Very high	85	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136	173.9	-59	177.8	0	0	0	109.6	L677 L682 V685 F694 P695 V696 I697 I714 F736	L672-L677 HydrophobicContact CB-CD1 3.91Å; L672-L677 HydrophobicContact CD2-CD1 4.01Å; L672-L677 HydrophobicContact CD2-CD2 4.34Å; L672-L682 HydrophobicContact CD1-CD1 3.86Å; L672-L682 HydrophobicContact CD2-CD1 3.65Å; L672-L682 HydrophobicContact CG-CD1 4.41Å; L672-V685 HydrophobicContact CD2-CG1 4.36Å; L672-F694 HydrophobicContact CD1-CB 3.8Å; L672-F694 HydrophobicContact CD1-CD2 4.24Å; L672-F694 HydrophobicContact CD1-CG 4.22Å; L672-F694 HydrophobicContact CG-CB 3.79Å; L672-F694 HydrophobicContact CG-CG 4.28Å; L672-P695 PolarHBondContact N-O 3.41Å; L672-V696 HydrophobicContact CB-CG2 4.26Å; L672-V696 CarbonylContact O-C 3.54Å; L672-V696 VanDerWaalsContact O-CA 3.28Å; L672-V696 WeakPolarHBondContact O-CA 3.47Å; L672-I697 WeakPolarHBondContact O-CG1 3.43Å; L672-I697 PolarHBondContact O-N 3.13Å; L672-I714 HydrophobicContact CD1-CD1 3.89Å; L672-F736 HydrophobicContact CD1-CZ 4.31Å
673	T	90.4	Very high	85.1	Confident	6 Å²	6	58 Å²	58	4%	0.037	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	156.6	171.5	55.7	0	0	0	0	111.6	L677 I697 K700 F736	T673-L677 WeakPolarHBondContact OG1-CD1 3.48Å; T673-I697 CarbonylContact C-O 3.52Å; T673-I697 WeakPolarHBondContact CA-O 3.4Å; T673-I697 HydrophobicContact CG2-CG1 4.49Å; T673-K700 HydrophobicContact CG2-CG 3.83Å; T673-F736 WeakPolarHBondContact O-CD2 3.44Å
674	Q	86.4	Confident	85.6	Confident	36 Å²	36	55.4 Å²	55.4	17%	0.168	33%	0.329	C	S	.	.	S	Bend	trans	-73.6	-32	-173.1	176.8	171.6	4.8	0	0	113.8	I697 F736 T737	Q674-I697 PolarHBondContact N-O 3.31Å; Q674-F736 HydrophobicContact CG-CB 4.39Å; Q674-F736 PolarHBondContact O-N 2.91Å; Q674-T737 HydrophobicContact CG-CG2 3.72Å
675	D	83.6	Confident	86.3	Confident	61 Å²	61	50.4 Å²	50.4	33%	0.326	29%	0.292	S	S	.	.	S	Bend	trans	-143.1	-15.1	-165.7	49.3	-15.6	0	0	0	115.3	Y735	D675-Y735 HydrophobicContact CB-CD1 3.82Å; D675-Y735 HydrophobicContact CB-CE1 3.85Å
676	D	81.6	Confident	87.1	Confident	95 Å²	95	45.9 Å²	45.9	51%	0.508	26%	0.259	S	S	.	.	S	Bend	trans	-94.1	-2.9	-175.6	-79.4	-24.8	0	0	0	115.4
677	L	86.6	Confident	87.5	Confident	13 Å²	13	49.6 Å²	49.6	7%	0.068	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136.6	-175.5	-101.7	132.5	0	0	0	113.2	L672 T673 E681 L682 V734	L672-L677 HydrophobicContact CB-CD1 3.91Å; L672-L677 HydrophobicContact CD2-CD1 4.01Å; L672-L677 HydrophobicContact CD2-CD2 4.34Å; T673-L677 WeakPolarHBondContact OG1-CD1 3.48Å; L677-E681 HydrophobicContact CD2-CB 3.97Å; L677-L682 HydrophobicContact CD2-CB 3.91Å; L677-L682 HydrophobicContact CD2-CD1 4.34Å; L677-V734 HydrophobicContact CB-CB 4.42Å; L677-V734 WeakPolarHBondContact O-CB 3.47Å; L677-V734 PolarHBondContact O-N 3.11Å
678	T	88.9	Confident	88	Confident	33 Å²	33	53 Å²	53	20%	0.202	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	160.1	164.3	60.5	0	0	0	0	111.9	E680 E681 L682 S732	T678-E680 PolarHBondContact O-N 3.06Å; T678-E681 PolarHBondContact N-OE2 3.32Å; T678-E681 PolarHBondContact O-N 2.02Å; T678-E681 WeakPolarHBondContact OG1-CB 3.3Å; T678-E681 VanDerWaalsContact OG1-CD 3.22Å; T678-E681 WeakPolarHBondContact OG1-CG 3.32Å; T678-E681 PolarHBondContact OG1-N 3.27Å; T678-E681 PolarHBondContact OG1-OE2 2.84Å; T678-L682 WeakPolarHBondContact O-CB 3.33Å; T678-L682 PolarHBondContact O-N 3.07Å; T678-S732 WeakPolarHBondContact CA-O 3.22Å
679	V	87.1	Confident	88.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-35.7	175.2	173.3	0	0	0	0	111.3	Q683 I718 L730 S732 V734 L751	V679-Q683 WeakPolarHBondContact O-CB 3.43Å; V679-Q683 WeakPolarHBondContact O-CG 3.28Å; V679-Q683 PolarHBondContact O-N 2.83Å; V679-I718 HydrophobicContact CG1-CG2 4.37Å; V679-L730 WeakPolarHBondContact CB-O 3.49Å; V679-L730 PolarHBondContact N-O 3.39Å; V679-S732 WeakPolarHBondContact CG2-O 3.3Å; V679-S732 PolarHBondContact N-O 2.94Å; V679-V734 HydrophobicContact CG2-CG2 3.7Å; V679-L751 HydrophobicContact CG2-CB 4.42Å; V679-L751 HydrophobicContact CG2-CD2 3.95Å
680	E	88.5	Confident	88.2	Confident	121 Å²	121	51.6 Å²	51.6	57%	0.565	28%	0.282	S	S	*	.	H	α-helix	trans	-62.1	-51.9	175.7	-173.7	171	-169.5	0	0	112	T678 L682 Q683 G684 L730	T678-E680 PolarHBondContact O-N 3.06Å; E680-L682 VanDerWaalsContact C-N 3.31Å; E680-L682 PolarHBondContact O-N 3.13Å; E680-Q683 CarbonylContact O-C 3.51Å; E680-Q683 PolarHBondContact O-N 2.95Å; E680-G684 PolarHBondContact O-N 2.88Å; E680-L730 HydrophobicContact CB-CB 4.23Å; E680-L730 PolarHBondContact N-O 3.48Å
681	E	89.3	Confident	88.1	Confident	103 Å²	103	56.4 Å²	56.4	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-61.8	-40.4	177.6	-70.7	164.6	146.1	0	0	111.6	L677 T678 Q683 G684 V685	L677-E681 HydrophobicContact CD2-CB 3.97Å; T678-E681 PolarHBondContact N-OE2 3.32Å; T678-E681 PolarHBondContact O-N 2.02Å; T678-E681 WeakPolarHBondContact OG1-CB 3.3Å; T678-E681 VanDerWaalsContact OG1-CD 3.22Å; T678-E681 WeakPolarHBondContact OG1-CG 3.32Å; T678-E681 PolarHBondContact OG1-N 3.27Å; T678-E681 PolarHBondContact OG1-OE2 2.84Å; E681-Q683 VanDerWaalsContact C-N 3.33Å; E681-Q683 PolarHBondContact O-N 3.04Å; E681-G684 WeakPolarHBondContact O-CA 2.95Å; E681-G684 PolarHBondContact O-N 3.17Å; E681-G684 VanDerWaalsContact O-N 3.17Å; E681-V685 WeakPolarHBondContact O-CG2 3.18Å; E681-V685 PolarHBondContact O-N 3.43Å
682	L	89.4	Confident	87.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.2	-41.5	176.5	-176.1	59.5	0	0	0	111.5	L672 L677 T678 E680 I686 I714 I718 V734 L753	L672-L682 HydrophobicContact CD1-CD1 3.86Å; L672-L682 HydrophobicContact CD2-CD1 3.65Å; L672-L682 HydrophobicContact CG-CD1 4.41Å; L677-L682 HydrophobicContact CD2-CB 3.91Å; L677-L682 HydrophobicContact CD2-CD1 4.34Å; T678-L682 WeakPolarHBondContact O-CB 3.33Å; T678-L682 PolarHBondContact O-N 3.07Å; E680-L682 VanDerWaalsContact C-N 3.31Å; E680-L682 PolarHBondContact O-N 3.13Å; L682-I686 HydrophobicContact CD1-CD1 4.33Å; L682-I686 HydrophobicContact CG-CD1 4.18Å; L682-I686 WeakPolarHBondContact O-CB 3.47Å; L682-I686 WeakPolarHBondContact O-CD1 3.1Å; L682-I686 WeakPolarHBondContact O-CG1 3.3Å; L682-I686 PolarHBondContact O-N 3.45Å; L682-I686 VanDerWaalsContact O-N 3.09Å; L682-I714 HydrophobicContact CD1-CG2 4.25Å; L682-I714 HydrophobicContact CD2-CG2 3.76Å; L682-I714 HydrophobicContact CG-CG2 4.09Å; L682-I718 HydrophobicContact CD2-CD1 3.88Å; L682-I718 HydrophobicContact CG-CD1 4.27Å; L682-V734 HydrophobicContact CD2-CG1 4.24Å; L682-V734 HydrophobicContact CD2-CG2 4.13Å; L682-L753 HydrophobicContact CD2-CD1 4Å
683	Q	89.1	Confident	87.7	Confident	50 Å²	50	58.6 Å²	58.6	23%	0.234	31%	0.309	C	S	.	.	H	α-helix	trans	-68.2	-36.3	173.6	-75.1	-172.8	-28.7	0	0	112.2	V679 E680 E681 I686 N687 I718 R722	V679-Q683 WeakPolarHBondContact O-CB 3.43Å; V679-Q683 WeakPolarHBondContact O-CG 3.28Å; V679-Q683 PolarHBondContact O-N 2.83Å; E680-Q683 CarbonylContact O-C 3.51Å; E680-Q683 PolarHBondContact O-N 2.95Å; E681-Q683 VanDerWaalsContact C-N 3.33Å; E681-Q683 PolarHBondContact O-N 3.04Å; Q683-I686 PolarHBondContact O-N 3.3Å; Q683-N687 VanDerWaalsContact O-CB 3.3Å; Q683-N687 WeakPolarHBondContact O-CB 3.24Å; Q683-N687 PolarHBondContact O-N 3.38Å; Q683-N687 PolarHBondContact O-ND2 3.1Å; Q683-I718 HydrophobicContact CG-CD1 4.41Å; Q683-R722 VanDerWaalsContact NE2-NH2 3.13Å
684	G	90.8	Very high	87.7	Confident	23 Å²	23	58.4 Å²	58.4	24%	0.237	31%	0.308	C	S	.	.	H	α-helix	trans	-56.8	-55.7	172.3	0	0	0	0	0	111.3	E680 E681 I686 N687 E688	E680-G684 PolarHBondContact O-N 2.88Å; E681-G684 WeakPolarHBondContact O-CA 2.95Å; E681-G684 PolarHBondContact O-N 3.17Å; E681-G684 VanDerWaalsContact O-N 3.17Å; G684-I686 VanDerWaalsContact C-N 3.29Å; G684-I686 PolarHBondContact O-N 3.18Å; G684-N687 PolarHBondContact O-N 3.22Å; G684-N687 VanDerWaalsContact O-N 3.08Å; G684-E688 WeakPolarHBondContact O-CB 3.33Å; G684-E688 VanDerWaalsContact O-CG 3.28Å; G684-E688 WeakPolarHBondContact O-CG 2.98Å; G684-E688 PolarHBondContact O-N 3Å
685	V	89.8	Confident	88	Confident	36 Å²	36	56.7 Å²	56.7	22%	0.218	30%	0.3	C	S	.	.	H	α-helix	trans	-57.8	-41.8	178	174.2	0	0	0	0	111.5	L672 E681 T689 F694	L672-V685 HydrophobicContact CD2-CG1 4.36Å; E681-V685 WeakPolarHBondContact O-CG2 3.18Å; E681-V685 PolarHBondContact O-N 3.43Å; V685-T689 HydrophobicContact CG1-CG2 4.46Å; V685-T689 WeakPolarHBondContact O-CB 2.94Å; V685-T689 WeakPolarHBondContact O-CG2 3.31Å; V685-T689 PolarHBondContact O-N 2.89Å; V685-T689 PolarHBondContact O-OG1 3.46Å; V685-F694 HydrophobicContact CG1-CD1 4.41Å; V685-F694 HydrophobicContact CG1-CE1 3.95Å; V685-F694 HydrophobicContact CG1-CZ 4.31Å
686	I	89.3	Confident	88.5	Confident	9 Å²	9	53.8 Å²	53.8	5%	0.046	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-40.6	178	-70.5	167.8	0	0	0	111.3	L682 Q683 G684 F694 R711 I714	L682-I686 HydrophobicContact CD1-CD1 4.33Å; L682-I686 HydrophobicContact CG-CD1 4.18Å; L682-I686 WeakPolarHBondContact O-CB 3.47Å; L682-I686 WeakPolarHBondContact O-CD1 3.1Å; L682-I686 WeakPolarHBondContact O-CG1 3.3Å; L682-I686 PolarHBondContact O-N 3.45Å; L682-I686 VanDerWaalsContact O-N 3.09Å; Q683-I686 PolarHBondContact O-N 3.3Å; G684-I686 VanDerWaalsContact C-N 3.29Å; G684-I686 PolarHBondContact O-N 3.18Å; I686-F694 HydrophobicContact CG1-CE2 4.32Å; I686-R711 HydrophobicContact CG2-CG 4.17Å; I686-R711 PolarHBondContact O-NH1 3.19Å; I686-R711 PolarHBondContact O-NH2 3.34Å; I686-I714 HydrophobicContact CD1-CB 4.32Å; I686-I714 HydrophobicContact CD1-CG2 3.64Å
687	N	89.6	Confident	89	Confident	130 Å²	130	49.4 Å²	49.4	70%	0.695	26%	0.261	S	S	*	.	H	α-helix	trans	-76.7	-33.6	-178.3	-72.5	-18.1	0	0	0	112.8	Q683 G684	Q683-N687 VanDerWaalsContact O-CB 3.3Å; Q683-N687 WeakPolarHBondContact O-CB 3.24Å; Q683-N687 PolarHBondContact O-N 3.38Å; Q683-N687 PolarHBondContact O-ND2 3.1Å; G684-N687 PolarHBondContact O-N 3.22Å; G684-N687 VanDerWaalsContact O-N 3.08Å
688	E	89.8	Confident	89.2	Confident	167 Å²	167	51.4 Å²	51.4	78%	0.78	27%	0.273	S	S	*	.	H	α-helix	trans	-76.1	-34.2	179.4	-72.7	175.1	-174.9	0	0	112.8	G684	G684-E688 WeakPolarHBondContact O-CB 3.33Å; G684-E688 VanDerWaalsContact O-CG 3.28Å; G684-E688 WeakPolarHBondContact O-CG 2.98Å; G684-E688 PolarHBondContact O-N 3Å
689	T	87.5	Confident	89.1	Confident	29 Å²	29	51.3 Å²	51.3	18%	0.178	27%	0.274	C	S	.	.			trans	-97.7	155	-178.2	65.8	0	0	0	0	111.8	A670 V685 Y691 F694 R711	A670-T689 HydrophobicContact CB-CG2 4.31Å; V685-T689 HydrophobicContact CG1-CG2 4.46Å; V685-T689 WeakPolarHBondContact O-CB 2.94Å; V685-T689 WeakPolarHBondContact O-CG2 3.31Å; V685-T689 PolarHBondContact O-N 2.89Å; V685-T689 PolarHBondContact O-OG1 3.46Å; T689-Y691 HydrophobicContact CG2-CD2 3.94Å; T689-Y691 HydrophobicContact CG2-CE2 4.06Å; T689-F694 WeakPolarHBondContact OG1-CE1 3.4Å; T689-F694 WeakPolarHBondContact OG1-CZ 3.24Å; T689-R711 PolarHBondContact O-NH1 2.98Å
690	S	84.6	Confident	89	Confident	102 Å²	102	59.1 Å²	59.1	71%	0.713	31%	0.308	S	S	*	.			trans	-100.8	3.8	171	59.7	0	0	0	0	113
691	Y	86.3	Confident	88.9	Confident	125 Å²	125	62.3 Å²	62.3	49%	0.49	32%	0.323	S	S	.	.			trans	-69.4	150	-174.8	-53.8	-48.9	0	0	0	112.5	A670 T689 F694 R711	A670-Y691 HydrophobicContact CB-CD2 4.14Å; A670-Y691 HydrophobicContact CB-CE2 4.18Å; T689-Y691 HydrophobicContact CG2-CD2 3.94Å; T689-Y691 HydrophobicContact CG2-CE2 4.06Å; Y691-F694 HydrophobicContact CD2-CE1 4.27Å; Y691-R711 WeakPolarHBondContact O-CD 3.3Å
692	N	83.9	Confident	88.7	Confident	82 Å²	82	59.3 Å²	59.3	44%	0.439	31%	0.313	S	S	.	.	S	Bend	trans	-90.8	-7.7	-176.2	-76.5	-64.1	0	0	0	114	L710 R711 R783	N692-L710 WeakPolarHBondContact O-CD2 3.49Å; N692-R711 WeakPolarHBondContact O-CB 3.31Å; N692-R711 PolarHBondContact O-N 3.4Å; N692-R783 VanDerWaalsContact CG-NH2 3.34Å; N692-R783 PolarHBondContact ND2-NH2 3.25Å
693	G	88.2	Confident	88.6	Confident	10 Å²	10	63.7 Å²	63.7	10%	0.103	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	165.7	177.7	0	0	0	0	0	111.6	A709	G693-A709 CarbonylContact C-O 3.48Å; G693-A709 WeakPolarHBondContact CA-O 3.38Å
694	F	91.9	Very high	88.8	Confident	1 Å²	1	68.5 Å²	68.5	0%	0.004	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.9	-169.5	-51.9	-84.6	0	0	0	110	A670 L672 V685 I686 T689 Y691 F708 A709 R711 I714	A670-F694 HydrophobicContact CB-CD1 4.1Å; A670-F694 HydrophobicContact CB-CE1 4.2Å; L672-F694 HydrophobicContact CD1-CB 3.8Å; L672-F694 HydrophobicContact CD1-CD2 4.24Å; L672-F694 HydrophobicContact CD1-CG 4.22Å; L672-F694 HydrophobicContact CG-CB 3.79Å; L672-F694 HydrophobicContact CG-CG 4.28Å; V685-F694 HydrophobicContact CG1-CD1 4.41Å; V685-F694 HydrophobicContact CG1-CE1 3.95Å; V685-F694 HydrophobicContact CG1-CZ 4.31Å; I686-F694 HydrophobicContact CG1-CE2 4.32Å; T689-F694 WeakPolarHBondContact OG1-CE1 3.4Å; T689-F694 WeakPolarHBondContact OG1-CZ 3.24Å; Y691-F694 HydrophobicContact CD2-CE1 4.27Å; F694-F708 VanDerWaalsContact N-CZ 3.31Å; F694-A709 PolarHBondContact N-O 3.48Å; F694-A709 PolarHBondContact O-N 2.64Å; F694-R711 HydrophobicContact CE2-CB 4.18Å; F694-I714 HydrophobicContact CD2-CD1 4.17Å
695	P	93.2	Very high	88.9	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.006	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	139.2	168.1	31.6	-32.6	0	0	0	109.5	L669 A670 V671 L672 L705 F708 L786 V793 I796	L669-P695 HydrophobicContact CD2-CG 3.87Å; L669-P695 HydrophobicContact CG-CG 4.39Å; A670-P695 WeakPolarHBondContact O-CD 3.48Å; V671-P695 HydrophobicContact CB-CG 4.43Å; V671-P695 HydrophobicContact CG1-CG 3.74Å; L672-P695 PolarHBondContact N-O 3.41Å; P695-L705 HydrophobicContact CB-CD1 4.28Å; P695-F708 HydrophobicContact CB-CD2 4.35Å; P695-L786 HydrophobicContact CB-CD1 4.49Å; P695-L786 HydrophobicContact CB-CD2 4.42Å; P695-V793 HydrophobicContact CB-CG1 4.42Å; P695-V793 HydrophobicContact CG-CG1 4.44Å; P695-I796 HydrophobicContact CG-CD1 4.29Å
696	V	92.1	Very high	88.9	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.6	174.1	-175	0	0	0	0	108.3	L672 V706 G707 A709 F736 L757	L672-V696 HydrophobicContact CB-CG2 4.26Å; L672-V696 CarbonylContact O-C 3.54Å; L672-V696 VanDerWaalsContact O-CA 3.28Å; L672-V696 WeakPolarHBondContact O-CA 3.47Å; V696-V706 HydrophobicContact CG1-CB 4.43Å; V696-V706 WeakPolarHBondContact O-CB 3.26Å; V696-V706 PolarHBondContact O-N 3.39Å; V696-G707 PolarHBondContact N-O 2.88Å; V696-G707 PolarHBondContact O-N 3.32Å; V696-A709 HydrophobicContact CG2-CB 4Å; V696-F736 HydrophobicContact CG1-CB 4.22Å; V696-F736 HydrophobicContact CG1-CD2 3.96Å; V696-F736 HydrophobicContact CG1-CG 4.04Å; V696-F736 HydrophobicContact CG2-CE1 4.47Å; V696-L757 HydrophobicContact CB-CD1 3.84Å; V696-L757 HydrophobicContact CG2-CD1 3.4Å
697	I	92.8	Very high	88.9	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	157.6	-179.5	59.4	171.2	0	0	0	111	V671 L672 T673 Q674 S699 Q703 R704 V793	V671-I697 HydrophobicContact CB-CD1 4.02Å; V671-I697 HydrophobicContact CB-CG1 4.26Å; V671-I697 HydrophobicContact CG2-CD1 3.57Å; V671-I697 HydrophobicContact CG2-CG1 4.26Å; L672-I697 WeakPolarHBondContact O-CG1 3.43Å; L672-I697 PolarHBondContact O-N 3.13Å; T673-I697 CarbonylContact C-O 3.52Å; T673-I697 WeakPolarHBondContact CA-O 3.4Å; T673-I697 HydrophobicContact CG2-CG1 4.49Å; Q674-I697 PolarHBondContact N-O 3.31Å; I697-S699 WeakPolarHBondContact CD1-O 3.14Å; I697-Q703 HydrophobicContact CD1-CG 4.4Å; I697-R704 CarbonylContact C-O 3.54Å; I697-R704 WeakPolarHBondContact CA-O 3.02Å; I697-R704 WeakPolarHBondContact CB-O 3.37Å; I697-V793 HydrophobicContact CG2-CB 4.46Å; I697-V793 HydrophobicContact CG2-CG2 4.01Å
698	V	90.3	Very high	89	Confident	55 Å²	55	62.6 Å²	62.6	33%	0.333	31%	0.312	S	S	.	.	S	Bend	trans	-61	-57.5	178.7	177.5	0	0	0	0	110.3	R704 V706	V698-R704 HydrophobicContact CB-CB 4.5Å; V698-R704 HydrophobicContact CG2-CB 3.96Å; V698-R704 PolarHBondContact N-O 3.49Å; V698-V706 HydrophobicContact CB-CG2 4.32Å; V698-V706 HydrophobicContact CG2-CG2 3.47Å; V698-V706 VanDerWaalsContact CG2-CG2 3.47Å
699	S	87.7	Confident	88.9	Confident	32 Å²	32	54.6 Å²	54.6	22%	0.224	28%	0.275	C	S	.	.			trans	-152.1	161.1	177.6	171.7	0	0	0	0	110.1	I697 E701 S702 Q703	I697-S699 WeakPolarHBondContact CD1-O 3.14Å; S699-E701 PolarHBondContact O-N 3.49Å; S699-S702 PolarHBondContact N-OG 2.86Å; S699-S702 PolarHBondContact O-N 2.85Å; S699-Q703 PolarHBondContact O-N 3.45Å
700	K	85.2	Confident	88.9	Confident	163 Å²	163	54.1 Å²	54.1	71%	0.709	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-27	176.6	-68.9	-176.8	-179.8	174.4	0	112.7	T673 Q703	T673-K700 HydrophobicContact CG2-CG 3.83Å; K700-Q703 WeakPolarHBondContact O-CG 3.39Å
701	E	85.8	Confident	89	Confident	188 Å²	188	52.2 Å²	52.2	88%	0.879	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-44.4	179.7	-63.1	179.9	179.5	0	0	112.6	S699	S699-E701 PolarHBondContact O-N 3.49Å
702	S	86.2	Confident	88.9	Confident	40 Å²	40	52.1 Å²	52.1	28%	0.28	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-27.7	-175.4	61.7	0	0	0	0	113.3	S699 R704 N792	S699-S702 PolarHBondContact N-OG 2.86Å; S699-S702 PolarHBondContact O-N 2.85Å; S702-R704 PolarHBondContact O-N 3.33Å; S702-N792 PolarHBondContact O-OD1 3.43Å
703	Q	87.5	Confident	88.9	Confident	92 Å²	92	49.3 Å²	49.3	43%	0.43	23%	0.232	S	C	.	.			trans	49.3	20.8	-178.2	-59.8	-169	-28.9	0	0	115.2	I697 S699 K700 N792 V793	I697-Q703 HydrophobicContact CD1-CG 4.4Å; S699-Q703 PolarHBondContact O-N 3.45Å; K700-Q703 WeakPolarHBondContact O-CG 3.39Å; Q703-N792 WeakPolarHBondContact O-CA 3.33Å; Q703-V793 PolarHBondContact O-N 3.41Å
704	R	92.1	Very high	88.9	Confident	151 Å²	151	48.8 Å²	48.8	57%	0.57	23%	0.227	S	C	*	.	B	Isolated β-bridge	trans	-72.9	133.9	178.8	-80	-173.2	172.9	155.2	-1	110.9	I697 V698 S702 G791 N792	I697-R704 CarbonylContact C-O 3.54Å; I697-R704 WeakPolarHBondContact CA-O 3.02Å; I697-R704 WeakPolarHBondContact CB-O 3.37Å; V698-R704 HydrophobicContact CB-CB 4.5Å; V698-R704 HydrophobicContact CG2-CB 3.96Å; V698-R704 PolarHBondContact N-O 3.49Å; S702-R704 PolarHBondContact O-N 3.33Å; R704-G791 WeakPolarHBondContact CA-O 3.48Å; R704-N792 WeakPolarHBondContact CG-OD1 3.01Å
705	L	92.5	Very high	88.7	Confident	43 Å²	43	51.7 Å²	51.7	23%	0.225	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.3	-179.9	-175.7	61.4	0	0	0	111.7	P695 G707 P761 T763 L786 T788 G791 V793	P695-L705 HydrophobicContact CB-CD1 4.28Å; L705-G707 WeakPolarHBondContact CD1-O 3.4Å; L705-P761 HydrophobicContact CD2-CG 3.98Å; L705-P761 HydrophobicContact CG-CG 4.5Å; L705-T763 HydrophobicContact CD2-CG2 3.53Å; L705-L786 HydrophobicContact CD1-CD1 3.63Å; L705-L786 HydrophobicContact CD2-CD1 3.7Å; L705-L786 HydrophobicContact CG-CD1 4.34Å; L705-T788 HydrophobicContact CD2-CG2 4.14Å; L705-G791 PolarHBondContact N-O 2.9Å; L705-V793 HydrophobicContact CB-CG2 3.56Å; L705-V793 HydrophobicContact CD1-CG2 3.65Å; L705-V793 HydrophobicContact CD2-CG2 4.49Å; L705-V793 HydrophobicContact CG-CG2 4.07Å
706	V	90.5	Very high	88.2	Confident	24 Å²	24	55.7 Å²	55.7	15%	0.145	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-39.9	171.4	-176.2	0	0	0	0	110.7	V696 V698 L757	V696-V706 HydrophobicContact CG1-CB 4.43Å; V696-V706 WeakPolarHBondContact O-CB 3.26Å; V696-V706 PolarHBondContact O-N 3.39Å; V698-V706 HydrophobicContact CB-CG2 4.32Å; V698-V706 HydrophobicContact CG2-CG2 3.47Å; V698-V706 VanDerWaalsContact CG2-CG2 3.47Å; V706-L757 HydrophobicContact CG1-CD2 4.04Å
707	G	90.3	Very high	87.9	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.1	-167.8	-179	0	0	0	0	0	113	V696 L705 D758	V696-G707 PolarHBondContact N-O 2.88Å; V696-G707 PolarHBondContact O-N 3.32Å; L705-G707 WeakPolarHBondContact CD1-O 3.4Å; G707-D758 CarbonylContact C-O 3.58Å; G707-D758 WeakPolarHBondContact CA-O 3.48Å
708	F	90	Very high	87.5	Confident	7 Å²	7	56.8 Å²	56.8	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.3	178.6	-169.4	-85.8	0	0	0	111.6	F694 P695 L710 D758 P761 Q784 L786 I796	F694-F708 VanDerWaalsContact N-CZ 3.31Å; P695-F708 HydrophobicContact CB-CD2 4.35Å; F708-L710 HydrophobicContact CD1-CG 4.46Å; F708-L710 HydrophobicContact CE1-CD2 3.9Å; F708-L710 HydrophobicContact CE1-CG 4.08Å; F708-D758 HydrophobicContact CB-CB 4.46Å; F708-D758 PolarHBondContact N-O 3.08Å; F708-D758 WeakPolarHBondContact O-CB 3.35Å; F708-D758 PolarHBondContact O-N 3.48Å; F708-P761 HydrophobicContact CB-CB 3.78Å; F708-P761 HydrophobicContact CB-CG 4.17Å; F708-Q784 VanDerWaalsContact CD1-NE2 3.27Å; F708-Q784 VanDerWaalsContact CE2-NE2 3.26Å; F708-L786 HydrophobicContact CD2-CD1 4.3Å; F708-L786 HydrophobicContact CD2-CD2 4.08Å; F708-L786 HydrophobicContact CE2-CD2 4.31Å; F708-I796 HydrophobicContact CE2-CD1 4.24Å
709	A	88.8	Confident	87.3	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.8	-178.5	0	0	0	0	0	111.2	G693 F694 V696 I714 L757	G693-A709 CarbonylContact C-O 3.48Å; G693-A709 WeakPolarHBondContact CA-O 3.38Å; F694-A709 PolarHBondContact N-O 3.48Å; F694-A709 PolarHBondContact O-N 2.64Å; V696-A709 HydrophobicContact CG2-CB 4Å; A709-I714 HydrophobicContact CB-CD1 3.84Å; A709-I714 HydrophobicContact CB-CG1 4.16Å; A709-L757 HydrophobicContact CB-CD1 4.16Å
710	L	86.4	Confident	87.1	Confident	19 Å²	19	60.8 Å²	60.8	10%	0.099	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	139.2	179.5	-74.4	159.4	0	0	0	111.1	N692 F708 R712 D713 I714	N692-L710 WeakPolarHBondContact O-CD2 3.49Å; F708-L710 HydrophobicContact CD1-CG 4.46Å; F708-L710 HydrophobicContact CE1-CD2 3.9Å; F708-L710 HydrophobicContact CE1-CG 4.08Å; L710-R712 VanDerWaalsContact C-N 3.29Å; L710-R712 HydrophobicContact CB-CG 4.32Å; L710-R712 PolarHBondContact O-N 2.82Å; L710-D713 HydrophobicContact CB-CB 4.49Å; L710-D713 PolarHBondContact O-N 2.95Å; L710-I714 WeakPolarHBondContact O-CG1 3.45Å; L710-I714 PolarHBondContact O-N 3.17Å
711	R	88.1	Confident	87	Confident	62 Å²	62	53.5 Å²	53.5	23%	0.234	26%	0.258	C	S	.	.	H	α-helix	trans	-51.5	-47.8	179.9	176.6	176.8	178.9	141.4	5.9	112.2	I686 T689 Y691 N692 F694 D713 I714 T715	I686-R711 HydrophobicContact CG2-CG 4.17Å; I686-R711 PolarHBondContact O-NH1 3.19Å; I686-R711 PolarHBondContact O-NH2 3.34Å; T689-R711 PolarHBondContact O-NH1 2.98Å; Y691-R711 WeakPolarHBondContact O-CD 3.3Å; N692-R711 WeakPolarHBondContact O-CB 3.31Å; N692-R711 PolarHBondContact O-N 3.4Å; F694-R711 HydrophobicContact CE2-CB 4.18Å; R711-D713 VanDerWaalsContact C-N 3.29Å; R711-D713 PolarHBondContact O-N 2.89Å; R711-I714 PolarHBondContact O-N 3.21Å; R711-T715 PolarHBondContact O-N 3.11Å; R711-T715 PolarHBondContact O-OG1 2.94Å
712	R	83.9	Confident	86.9	Confident	122 Å²	122	50 Å²	50	46%	0.46	24%	0.236	S	C	.	.	H	α-helix	trans	-57.7	-41.6	179.9	68.7	178.5	-178.5	97.7	-27.5	112.7	R97 L710 T715 I716	R97-R712 VanDerWaalsContact CZ-CZ 3.47Å; L710-R712 VanDerWaalsContact C-N 3.29Å; L710-R712 HydrophobicContact CB-CG 4.32Å; L710-R712 PolarHBondContact O-N 2.82Å; R712-T715 PolarHBondContact O-N 2.8Å; R712-I716 WeakPolarHBondContact O-CB 3.41Å; R712-I716 WeakPolarHBondContact O-CD1 3.29Å; R712-I716 WeakPolarHBondContact O-CG1 3.3Å; R712-I716 PolarHBondContact O-N 3.42Å
713	D	83.9	Confident	86.7	Confident	23 Å²	23	57.3 Å²	57.3	12%	0.123	26%	0.258	C	S	.	.	H	α-helix	trans	-75.3	-35.6	-174.9	-64.1	-29.1	0	0	0	109.5	R97 L710 R711 A717 I756	R97-D713 IonicContact CZ-OD2 2.65Å; R97-D713 VanDerWaalsContact CZ-OD2 3.22Å; R97-D713 IonicContact NH1-OD1 3.69Å; R97-D713 IonicContact NH1-OD2 2.74Å; R97-D713 PolarHBondContact NH1-OD2 3.08Å; R97-D713 IonicContact NH2-OD1 3.05Å; R97-D713 PolarHBondContact NH2-OD1 2.99Å; R97-D713 IonicContact NH2-OD2 3.87Å; R97-D713 PolarHBondContact NH2-OD2 3.35Å; L710-D713 HydrophobicContact CB-CB 4.49Å; L710-D713 PolarHBondContact O-N 2.95Å; R711-D713 VanDerWaalsContact C-N 3.29Å; R711-D713 PolarHBondContact O-N 2.89Å; D713-A717 WeakPolarHBondContact O-CB 3.3Å; D713-A717 PolarHBondContact O-N 3.35Å; D713-I756 HydrophobicContact CB-CB 4.26Å; D713-I756 HydrophobicContact CB-CG2 4.44Å
714	I	87.3	Confident	86.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-50.2	171.4	-60.7	164.3	0	0	0	111	L672 L682 I686 F694 A709 L710 R711 I716 A717 I718 I756	L672-I714 HydrophobicContact CD1-CD1 3.89Å; L682-I714 HydrophobicContact CD1-CG2 4.25Å; L682-I714 HydrophobicContact CD2-CG2 3.76Å; L682-I714 HydrophobicContact CG-CG2 4.09Å; I686-I714 HydrophobicContact CD1-CB 4.32Å; I686-I714 HydrophobicContact CD1-CG2 3.64Å; F694-I714 HydrophobicContact CD2-CD1 4.17Å; A709-I714 HydrophobicContact CB-CD1 3.84Å; A709-I714 HydrophobicContact CB-CG1 4.16Å; L710-I714 WeakPolarHBondContact O-CG1 3.45Å; L710-I714 PolarHBondContact O-N 3.17Å; R711-I714 PolarHBondContact O-N 3.21Å; I714-I716 PolarHBondContact O-N 2.89Å; I714-A717 PolarHBondContact O-N 3.35Å; I714-I718 HydrophobicContact CG2-CD1 3.69Å; I714-I718 HydrophobicContact CG2-CG1 4.32Å; I714-I718 VanDerWaalsContact O-CG1 3.3Å; I714-I718 WeakPolarHBondContact O-CG1 3.49Å; I714-I718 PolarHBondContact O-N 3.26Å; I714-I756 HydrophobicContact CB-CD1 4.26Å; I714-I756 HydrophobicContact CG1-CD1 3.72Å
715	T	87.5	Confident	85.5	Confident	62 Å²	62	57.4 Å²	57.4	38%	0.38	26%	0.262	S	S	.	.	H	α-helix	trans	-60	-45.8	-179.3	-54	0	0	0	0	111.6	R711 R712 I718 E719	R711-T715 PolarHBondContact O-N 3.11Å; R711-T715 PolarHBondContact O-OG1 2.94Å; R712-T715 PolarHBondContact O-N 2.8Å; T715-I718 PolarHBondContact O-N 3.03Å; T715-E719 PolarHBondContact O-N 3.06Å
716	I	83.8	Confident	84.2	Confident	85 Å²	85	63.5 Å²	63.5	44%	0.436	29%	0.29	S	S	.	.	H	α-helix	trans	-64	-41.3	176.9	-68.1	165.8	0	0	0	110.9	R712 I714 E719 N720	R712-I716 WeakPolarHBondContact O-CB 3.41Å; R712-I716 WeakPolarHBondContact O-CD1 3.29Å; R712-I716 WeakPolarHBondContact O-CG1 3.3Å; R712-I716 PolarHBondContact O-N 3.42Å; I714-I716 PolarHBondContact O-N 2.89Å; I716-E719 PolarHBondContact O-N 3.45Å; I716-N720 WeakPolarHBondContact CG2-ND2 3.32Å; I716-N720 VanDerWaalsContact O-CB 3.27Å; I716-N720 WeakPolarHBondContact O-CB 3.27Å; I716-N720 VanDerWaalsContact O-CG 3.3Å; I716-N720 PolarHBondContact O-N 3.14Å; I716-N720 PolarHBondContact O-ND2 3.38Å
717	A	84.5	Confident	83.4	Confident	18 Å²	18	64.2 Å²	64.2	15%	0.149	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-42.4	178.6	0	0	0	0	0	111.8	D713 I714 A721 L753 I756	D713-A717 WeakPolarHBondContact O-CB 3.3Å; D713-A717 PolarHBondContact O-N 3.35Å; I714-A717 PolarHBondContact O-N 3.35Å; A717-A721 WeakPolarHBondContact O-CB 3.46Å; A717-A721 PolarHBondContact O-N 3.32Å; A717-L753 HydrophobicContact CB-CD2 3.63Å; A717-I756 HydrophobicContact CB-CD1 4.1Å; A717-I756 HydrophobicContact CB-CG2 4.23Å
718	I	85.9	Confident	82.8	Confident	7 Å²	7	65.2 Å²	65.2	4%	0.036	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-45.7	176.3	-66.4	166.8	0	0	0	110.8	V679 L682 Q683 I714 T715 A721 R722 L751	V679-I718 HydrophobicContact CG1-CG2 4.37Å; L682-I718 HydrophobicContact CD2-CD1 3.88Å; L682-I718 HydrophobicContact CG-CD1 4.27Å; Q683-I718 HydrophobicContact CG-CD1 4.41Å; I714-I718 HydrophobicContact CG2-CD1 3.69Å; I714-I718 HydrophobicContact CG2-CG1 4.32Å; I714-I718 VanDerWaalsContact O-CG1 3.3Å; I714-I718 WeakPolarHBondContact O-CG1 3.49Å; I714-I718 PolarHBondContact O-N 3.26Å; T715-I718 PolarHBondContact O-N 3.03Å; I718-A721 PolarHBondContact O-N 3.08Å; I718-R722 WeakPolarHBondContact O-CG 3.38Å; I718-R722 PolarHBondContact O-N 2.65Å; I718-L751 HydrophobicContact CG1-CD2 4.08Å
719	E	85.3	Confident	82.3	Confident	100 Å²	100	70.4 Å²	70.4	47%	0.467	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-44.1	179.8	-169.8	178.3	177.4	0	0	111.9	T715 I716 A721 R722 R723	T715-E719 PolarHBondContact O-N 3.06Å; I716-E719 PolarHBondContact O-N 3.45Å; E719-A721 VanDerWaalsContact C-N 3.35Å; E719-A721 PolarHBondContact O-N 2.97Å; E719-R722 PolarHBondContact O-N 3.05Å; E719-R723 WeakPolarHBondContact O-CG 3.36Å; E719-R723 PolarHBondContact O-N 3.49Å; E719-R723 VanDerWaalsContact O-N 3.12Å; E719-R723 IonicContact OE1-CZ 3.97Å; E719-R723 IonicContact OE1-NH2 3.14Å
720	N	84.4	Confident	81.8	Confident	70 Å²	70	74.2 Å²	74.2	37%	0.374	35%	0.352	S	S	.	.	H	α-helix	trans	-64.3	-40.1	176.1	-78.9	-24.4	0	0	0	112.2	I716 R723 K724	I716-N720 WeakPolarHBondContact CG2-ND2 3.32Å; I716-N720 VanDerWaalsContact O-CB 3.27Å; I716-N720 WeakPolarHBondContact O-CB 3.27Å; I716-N720 VanDerWaalsContact O-CG 3.3Å; I716-N720 PolarHBondContact O-N 3.14Å; I716-N720 PolarHBondContact O-ND2 3.38Å; N720-R723 PolarHBondContact O-N 3.47Å; N720-K724 WeakPolarHBondContact O-CB 3.42Å; N720-K724 WeakPolarHBondContact O-CG 3.29Å; N720-K724 PolarHBondContact O-N 2.92Å
721	A	83.1	Confident	81.7	Confident	11 Å²	11	77.6 Å²	77.6	9%	0.091	37%	0.37	C	S	.	.	H	α-helix	trans	-65.8	-44.9	178.7	0	0	0	0	0	110.5	A717 I718 E719 R723 K724 Q725 I728 L751	A717-A721 WeakPolarHBondContact O-CB 3.46Å; A717-A721 PolarHBondContact O-N 3.32Å; I718-A721 PolarHBondContact O-N 3.08Å; E719-A721 VanDerWaalsContact C-N 3.35Å; E719-A721 PolarHBondContact O-N 2.97Å; A721-R723 PolarHBondContact O-N 3.45Å; A721-K724 PolarHBondContact O-N 2.91Å; A721-Q725 WeakPolarHBondContact O-CB 3.48Å; A721-Q725 PolarHBondContact O-N 3.43Å; A721-I728 HydrophobicContact CB-CD1 3.37Å; A721-L751 HydrophobicContact CB-CD1 3.36Å
722	R	82.1	Confident	81.5	Confident	115 Å²	115	74.6 Å²	74.6	43%	0.434	36%	0.359	S	S	.	.	H	α-helix	trans	-57.7	-33.1	173.7	-77.3	-176.5	178.4	175.1	2.3	113.4	Q683 I718 E719 I728	Q683-R722 VanDerWaalsContact NE2-NH2 3.13Å; I718-R722 WeakPolarHBondContact O-CG 3.38Å; I718-R722 PolarHBondContact O-N 2.65Å; E719-R722 PolarHBondContact O-N 3.05Å; R722-I728 HydrophobicContact CG-CG2 4.47Å
723	R	83	Confident	81.5	Confident	193 Å²	193	74.4 Å²	74.4	73%	0.728	36%	0.359	S	S	*	.	H	α-helix	trans	-79.9	-39.4	178.5	-76.2	-178.5	169.3	-176.2	1	113.9	E719 N720 A721	E719-R723 WeakPolarHBondContact O-CG 3.36Å; E719-R723 PolarHBondContact O-N 3.49Å; E719-R723 VanDerWaalsContact O-N 3.12Å; E719-R723 IonicContact OE1-CZ 3.97Å; E719-R723 IonicContact OE1-NH2 3.14Å; N720-R723 PolarHBondContact O-N 3.47Å; A721-R723 PolarHBondContact O-N 3.45Å
724	K	79.1	Confident	81.6	Confident	153 Å²	153	73.3 Å²	73.3	67%	0.665	35%	0.353	S	S	*	.	H	α-helix	trans	-95.9	-23.8	-171.2	-68.8	-172.4	177	-171.8	0	113.9	N720 A721	N720-K724 WeakPolarHBondContact O-CB 3.42Å; N720-K724 WeakPolarHBondContact O-CG 3.29Å; N720-K724 PolarHBondContact O-N 2.92Å; A721-K724 PolarHBondContact O-N 2.91Å
725	Q	74.7	Confident	81.6	Confident	92 Å²	92	73.7 Å²	73.7	43%	0.43	35%	0.354	S	S	.	.	S	Bend	trans	-116	109.5	-175.6	-65	-178.4	-11.4	0	0	109.9	A721 G727 I728	A721-Q725 WeakPolarHBondContact O-CB 3.48Å; A721-Q725 PolarHBondContact O-N 3.43Å; Q725-G727 PolarHBondContact O-N 2.95Å; Q725-I728 HydrophobicContact CB-CD1 3.77Å; Q725-I728 HydrophobicContact CB-CG1 4.16Å
726	E	66.6	Low	81.4	Confident	171 Å²	171	70.7 Å²	70.7	80%	0.799	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	127.5	169.8	-65.5	-177.8	172	0	0	109.5	R749	E726-R749 PolarHBondContact O-NH1 3Å
727	G	72.7	Confident	81.3	Confident	38 Å²	38	68 Å²	68	39%	0.392	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.6	8.7	176.4	0	0	0	0	0	116.8	Q725	Q725-G727 PolarHBondContact O-N 2.95Å
728	I	77.1	Confident	80.6	Confident	22 Å²	22	73.4 Å²	73.4	11%	0.113	35%	0.345	C	S	.	.			trans	-80	120.3	167.7	-64.5	174.6	0	0	0	109.4	A721 R722 Q725 L751	A721-I728 HydrophobicContact CB-CD1 3.37Å; R722-I728 HydrophobicContact CG-CG2 4.47Å; Q725-I728 HydrophobicContact CB-CD1 3.77Å; Q725-I728 HydrophobicContact CB-CG1 4.16Å; I728-L751 HydrophobicContact CD1-CD1 4.04Å
729	M	79.6	Confident	79.8	Confident	115 Å²	115	80.2 Å²	80.2	57%	0.567	38%	0.377	S	S	*	.			trans	-118	171.5	178.5	-60.3	-153.2	-175.1	0	0	110.2	N731 S732	M729-N731 WeakPolarHBondContact CB-OD1 3.16Å; M729-N731 PolarHBondContact O-N 2.92Å; M729-S732 PolarHBondContact N-OG 3.2Å; M729-S732 VanDerWaalsContact N-OG 3.09Å; M729-S732 VanDerWaalsContact O-CB 3.24Å; M729-S732 WeakPolarHBondContact O-CB 3.27Å; M729-S732 PolarHBondContact O-N 3.38Å; M729-S732 VanDerWaalsContact O-N 3.09Å; M729-S732 PolarHBondContact O-OG 2.99Å
730	L	79.4	Confident	78.9	Confident	81 Å²	81	76.6 Å²	76.6	42%	0.424	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.9	179.6	-75.7	168.8	0	0	0	112.6	V679 E680 S732	V679-L730 WeakPolarHBondContact CB-O 3.49Å; V679-L730 PolarHBondContact N-O 3.39Å; E680-L730 HydrophobicContact CB-CB 4.23Å; E680-L730 PolarHBondContact N-O 3.48Å; L730-S732 VanDerWaalsContact C-N 3.32Å
731	N	83.3	Confident	78.2	Confident	89 Å²	89	76.9 Å²	76.9	48%	0.476	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	2.1	176.2	64.7	-13.7	0	0	0	114.1	M729 R733	M729-N731 WeakPolarHBondContact CB-OD1 3.16Å; M729-N731 PolarHBondContact O-N 2.92Å; N731-R733 PolarHBondContact O-N 2.99Å
732	S	84.8	Confident	77.3	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-59.7	134.1	172.8	-77	0	0	0	0	110.2	T678 V679 M729 L730 R749	T678-S732 WeakPolarHBondContact CA-O 3.22Å; V679-S732 WeakPolarHBondContact CG2-O 3.3Å; V679-S732 PolarHBondContact N-O 2.94Å; M729-S732 PolarHBondContact N-OG 3.2Å; M729-S732 VanDerWaalsContact N-OG 3.09Å; M729-S732 VanDerWaalsContact O-CB 3.24Å; M729-S732 WeakPolarHBondContact O-CB 3.27Å; M729-S732 PolarHBondContact O-N 3.38Å; M729-S732 VanDerWaalsContact O-N 3.09Å; M729-S732 PolarHBondContact O-OG 2.99Å; L730-S732 VanDerWaalsContact C-N 3.32Å; S732-R749 VanDerWaalsContact CB-O 3.29Å; S732-R749 WeakPolarHBondContact CB-O 3.18Å; S732-R749 PolarHBondContact OG-O 2.88Å
733	R	84.7	Confident	76.6	Confident	118 Å²	118	80.5 Å²	80.5	45%	0.445	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	140.9	173.7	-71.4	-169.5	177.6	-144.2	0.2	111.3	N731 Y735 P750 L751	N731-R733 PolarHBondContact O-N 2.99Å; R733-Y735 HydrophobicContact CB-CD2 4.41Å; R733-Y735 HydrophobicContact CB-CE2 3.67Å; R733-Y735 WeakPolarHBondContact CD-OH 3.45Å; R733-P750 CarbonylContact O-C 3.52Å; R733-P750 WeakPolarHBondContact O-CA 3.18Å; R733-L751 PolarHBondContact O-N 2.74Å
734	V	85.8	Confident	76	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.9	179.1	-177.8	0	0	0	0	109.1	L677 V679 L682 F736 L751 L753	L677-V734 HydrophobicContact CB-CB 4.42Å; L677-V734 WeakPolarHBondContact O-CB 3.47Å; L677-V734 PolarHBondContact O-N 3.11Å; V679-V734 HydrophobicContact CG2-CG2 3.7Å; L682-V734 HydrophobicContact CD2-CG1 4.24Å; L682-V734 HydrophobicContact CD2-CG2 4.13Å; V734-F736 HydrophobicContact CG1-CD2 4.48Å; V734-F736 HydrophobicContact CG1-CE2 3.92Å; V734-F736 HydrophobicContact CG1-CZ 4.11Å; V734-L751 WeakPolarHBondContact CA-O 3.23Å; V734-L751 HydrophobicContact CG2-CB 4.42Å; V734-L751 HydrophobicContact CG2-CD2 4.32Å; V734-L753 HydrophobicContact CG1-CB 4.36Å; V734-L753 HydrophobicContact CG1-CD1 3.48Å; V734-L753 VanDerWaalsContact CG1-CD1 3.48Å; V734-L753 HydrophobicContact CG1-CG 3.89Å
735	Y	86.2	Confident	75.1	Confident	7 Å²	7	73.9 Å²	73.9	3%	0.027	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.4	177.9	-66.7	-82.4	0	0	0	111.3	D675 R733 A740 P741 L743 P750 L751 L753	D675-Y735 HydrophobicContact CB-CD1 3.82Å; D675-Y735 HydrophobicContact CB-CE1 3.85Å; R733-Y735 HydrophobicContact CB-CD2 4.41Å; R733-Y735 HydrophobicContact CB-CE2 3.67Å; R733-Y735 WeakPolarHBondContact CD-OH 3.45Å; Y735-A740 HydrophobicContact CD2-CB 4.04Å; Y735-A740 HydrophobicContact CE2-CB 4.43Å; Y735-A740 HydrophobicContact CG-CB 4.23Å; Y735-P741 HydrophobicContact CE1-CG 3.83Å; Y735-L743 HydrophobicContact CE2-CD1 4.3Å; Y735-P750 HydrophobicContact CD2-CB 3.63Å; Y735-P750 HydrophobicContact CE2-CB 3.59Å; Y735-L751 PolarHBondContact N-O 3.01Å; Y735-L753 PolarHBondContact O-N 3.18Å
736	F	83.6	Confident	74.6	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	43%	0.431	C	S	.	.			trans	-95.6	3.5	169.8	-63.1	-82.7	0	0	0	112.5	L672 T673 Q674 V696 V734 L753 R754 L757	L672-F736 HydrophobicContact CD1-CZ 4.31Å; T673-F736 WeakPolarHBondContact O-CD2 3.44Å; Q674-F736 HydrophobicContact CG-CB 4.39Å; Q674-F736 PolarHBondContact O-N 2.91Å; V696-F736 HydrophobicContact CG1-CB 4.22Å; V696-F736 HydrophobicContact CG1-CD2 3.96Å; V696-F736 HydrophobicContact CG1-CG 4.04Å; V696-F736 HydrophobicContact CG2-CE1 4.47Å; V734-F736 HydrophobicContact CG1-CD2 4.48Å; V734-F736 HydrophobicContact CG1-CE2 3.92Å; V734-F736 HydrophobicContact CG1-CZ 4.11Å; F736-L753 HydrophobicContact CD1-CB 3.81Å; F736-L753 HydrophobicContact CE1-CB 3.59Å; F736-L753 HydrophobicContact CE1-CD1 4.16Å; F736-L753 HydrophobicContact CZ-CB 4.28Å; F736-L753 HydrophobicContact CZ-CD1 4.15Å; F736-R754 WeakPolarHBondContact O-CB 3.41Å; F736-L757 HydrophobicContact CB-CD2 4.33Å
737	T	81.6	Confident	74.7	Confident	29 Å²	29	71.4 Å²	71.4	18%	0.178	41%	0.407	C	S	.	.	S	Bend	trans	-82.2	160.9	173.8	54.4	0	0	0	0	112.7	Q674 H739	Q674-T737 HydrophobicContact CG-CG2 3.72Å; T737-H739 WeakPolarHBondContact CB-O 3.32Å; T737-H739 PolarHBondContact OG1-O 3.02Å
738	Q	69.2	Low	74.8	Confident	130 Å²	130	71.3 Å²	71.3	61%	0.607	40%	0.399	S	S	*	.	S	Bend	trans	-74.7	-37.9	173.3	-169.4	166.5	-3.4	0	0	111.4
739	H	68.7	Low	74.8	Confident	151 Å²	151	77.6 Å²	77.6	70%	0.699	42%	0.421	S	S	*	.	S	Bend	trans	-105.8	113.1	177.7	-61.1	84.7	0	0	0	108.2	T737	T737-H739 WeakPolarHBondContact CB-O 3.32Å; T737-H739 PolarHBondContact OG1-O 3.02Å
740	A	66.6	Low	74.9	Confident	24 Å²	24	73.8 Å²	73.8	20%	0.198	41%	0.406	C	S	.	.			trans	-83.2	132.1	167.3	0	0	0	0	0	107.4	Y735 P750	Y735-A740 HydrophobicContact CD2-CB 4.04Å; Y735-A740 HydrophobicContact CE2-CB 4.43Å; Y735-A740 HydrophobicContact CG-CB 4.23Å; A740-P750 HydrophobicContact CB-CG 4.42Å
741	P	70.8	Confident	75	Confident	75 Å²	75	70.2 Å²	70.2	49%	0.487	39%	0.387	S	S	.	.			trans	-58.4	143.2	175.5	23.2	-31	0	0	0	110.2	Y735 L743	Y735-P741 HydrophobicContact CE1-CG 3.83Å; P741-L743 PolarHBondContact O-N 3.38Å
742	T	64.3	Low	75	Confident	148 Å²	148	71.9 Å²	71.9	91%	0.908	39%	0.39	S	S	*	.			trans	-65.3	105.6	174.8	42.1	0	0	0	0	108.9
743	L	67.6	Low	74.9	Confident	55 Å²	55	72 Å²	72	29%	0.288	39%	0.391	S	S	.	.			trans	-81	155.7	178	-66.8	148.6	0	0	0	110.7	Y735 P741 S747 P750	Y735-L743 HydrophobicContact CE2-CD1 4.3Å; P741-L743 PolarHBondContact O-N 3.38Å; L743-S747 WeakPolarHBondContact CB-OG 3.39Å; L743-P750 HydrophobicContact CD1-CB 3.89Å; L743-P750 HydrophobicContact CD1-CG 3.93Å
744	P	69.8	Low	74.9	Confident	95 Å²	95	70.1 Å²	70.1	62%	0.617	38%	0.384	S	S	*	.			trans	-56.5	152	176	-22.1	32.3	0	0	0	112.6	D746 S747	P744-D746 PolarHBondContact O-N 3.45Å; P744-S747 WeakPolarHBondContact O-CB 3.48Å; P744-S747 PolarHBondContact O-N 3.12Å; P744-S747 PolarHBondContact O-OG 3.13Å
745	A	60.5	Low	74.5	Confident	112 Å²	112	75.5 Å²	75.5	93%	0.926	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-23	-174.6	0	0	0	0	0	115.1
746	D	63.9	Low	74.3	Confident	170 Å²	170	77 Å²	77	91%	0.909	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.1	178.6	-99.1	-16.5	0	0	0	114.6	P744	P744-D746 PolarHBondContact O-N 3.45Å
747	S	68.9	Low	74.3	Confident	40 Å²	40	77.7 Å²	77.7	28%	0.28	43%	0.433	S	S	.	.	S	Bend	trans	-86.2	145.1	-177.8	66.2	0	0	0	0	112.4	L743 P744	L743-S747 WeakPolarHBondContact CB-OG 3.39Å; P744-S747 WeakPolarHBondContact O-CB 3.48Å; P744-S747 PolarHBondContact O-N 3.12Å; P744-S747 PolarHBondContact O-OG 3.13Å
748	P	74.5	Confident	74.4	Confident	36 Å²	36	80 Å²	80	23%	0.234	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-62.3	144.3	175.8	28.1	-36	0	0	0	110.3
749	R	77.6	Confident	75.1	Confident	154 Å²	154	78.1 Å²	78.1	58%	0.581	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-58.3	134.9	-175.6	-75.2	-178.3	172.7	170.5	-6.2	110.8	E726 S732	E726-R749 PolarHBondContact O-NH1 3Å; S732-R749 VanDerWaalsContact CB-O 3.29Å; S732-R749 WeakPolarHBondContact CB-O 3.18Å; S732-R749 PolarHBondContact OG-O 2.88Å
750	P	80.6	Confident	75.9	Confident	36 Å²	36	75.1 Å²	75.1	23%	0.234	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-74.1	138.8	-179.2	29.3	-34.6	0	0	0	111.8	R733 Y735 A740 L743	R733-P750 CarbonylContact O-C 3.52Å; R733-P750 WeakPolarHBondContact O-CA 3.18Å; Y735-P750 HydrophobicContact CD2-CB 3.63Å; Y735-P750 HydrophobicContact CE2-CB 3.59Å; A740-P750 HydrophobicContact CB-CG 4.42Å; L743-P750 HydrophobicContact CD1-CB 3.89Å; L743-P750 HydrophobicContact CD1-CG 3.93Å
751	L	82.4	Confident	76.9	Confident	5 Å²	5	74.9 Å²	74.9	3%	0.026	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.3	175.2	179.6	61.9	0	0	0	109.9	V679 I718 A721 I728 R733 V734 Y735 L753	V679-L751 HydrophobicContact CG2-CB 4.42Å; V679-L751 HydrophobicContact CG2-CD2 3.95Å; I718-L751 HydrophobicContact CG1-CD2 4.08Å; A721-L751 HydrophobicContact CB-CD1 3.36Å; I728-L751 HydrophobicContact CD1-CD1 4.04Å; R733-L751 PolarHBondContact O-N 2.74Å; V734-L751 WeakPolarHBondContact CA-O 3.23Å; V734-L751 HydrophobicContact CG2-CB 4.42Å; V734-L751 HydrophobicContact CG2-CD2 4.32Å; Y735-L751 PolarHBondContact N-O 3.01Å; L751-L753 HydrophobicContact CD1-CD2 4.07Å; L751-L753 HydrophobicContact CD2-CD1 4.1Å; L751-L753 HydrophobicContact CD2-CD2 3.99Å; L751-L753 HydrophobicContact CD2-CG 4.1Å; L751-L753 HydrophobicContact CG-CD1 4.45Å; L751-L753 HydrophobicContact CG-CD2 3.83Å; L751-L753 HydrophobicContact CG-CG 3.92Å
752	K	83.6	Confident	77.8	Confident	124 Å²	124	75.1 Å²	75.1	54%	0.539	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.1	177	-61.5	-178	-177.1	-178.8	0	110.2
753	L	82.8	Confident	79.1	Confident	4 Å²	4	71 Å²	71	2%	0.021	40%	0.397	C	S	.	.			trans	-115.5	14.5	-178.9	-64.4	-173.1	0	0	0	113.8	L682 A717 V734 Y735 F736 L751 S755 I756	L682-L753 HydrophobicContact CD2-CD1 4Å; A717-L753 HydrophobicContact CB-CD2 3.63Å; V734-L753 HydrophobicContact CG1-CB 4.36Å; V734-L753 HydrophobicContact CG1-CD1 3.48Å; V734-L753 VanDerWaalsContact CG1-CD1 3.48Å; V734-L753 HydrophobicContact CG1-CG 3.89Å; Y735-L753 PolarHBondContact O-N 3.18Å; F736-L753 HydrophobicContact CD1-CB 3.81Å; F736-L753 HydrophobicContact CE1-CB 3.59Å; F736-L753 HydrophobicContact CE1-CD1 4.16Å; F736-L753 HydrophobicContact CZ-CB 4.28Å; F736-L753 HydrophobicContact CZ-CD1 4.15Å; L751-L753 HydrophobicContact CD1-CD2 4.07Å; L751-L753 HydrophobicContact CD2-CD1 4.1Å; L751-L753 HydrophobicContact CD2-CD2 3.99Å; L751-L753 HydrophobicContact CD2-CG 4.1Å; L751-L753 HydrophobicContact CG-CD1 4.45Å; L751-L753 HydrophobicContact CG-CD2 3.83Å; L751-L753 HydrophobicContact CG-CG 3.92Å; L753-S755 VanDerWaalsContact C-N 3.25Å; L753-S755 PolarHBondContact O-N 2.9Å; L753-I756 HydrophobicContact CB-CD1 4.08Å; L753-I756 HydrophobicContact CB-CG1 4.04Å; L753-I756 HydrophobicContact CD1-CD1 4.28Å; L753-I756 HydrophobicContact CD2-CD1 4.19Å; L753-I756 HydrophobicContact CG-CD1 4.42Å; L753-I756 WeakPolarHBondContact O-CG1 2.94Å; L753-I756 PolarHBondContact O-N 3.45Å
754	R	83.8	Confident	80.3	Confident	78 Å²	78	68.9 Å²	68.9	29%	0.294	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-57.3	-36.2	178.3	-178.5	168.9	178.9	79.9	-2.3	113.7	F736 I756 L757 M759	F736-R754 WeakPolarHBondContact O-CB 3.41Å; R754-I756 PolarHBondContact O-N 3.03Å; R754-L757 WeakPolarHBondContact O-CB 3.01Å; R754-L757 PolarHBondContact O-N 3.38Å; R754-L757 VanDerWaalsContact O-N 3.12Å; R754-M759 PolarHBondContact NH1-SD 2.99Å
755	S	78.3	Confident	81.5	Confident	113 Å²	113	68 Å²	68	79%	0.79	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-67.4	-18.1	-175.1	56.4	0	0	0	0	114.5	L753	L753-S755 VanDerWaalsContact C-N 3.25Å; L753-S755 PolarHBondContact O-N 2.9Å
756	I	82.1	Confident	83	Confident	38 Å²	38	63.6 Å²	63.6	20%	0.195	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-97	-4.7	177	61.1	160.8	0	0	0	112.9	D713 I714 A717 L753 R754	D713-I756 HydrophobicContact CB-CB 4.26Å; D713-I756 HydrophobicContact CB-CG2 4.44Å; I714-I756 HydrophobicContact CB-CD1 4.26Å; I714-I756 HydrophobicContact CG1-CD1 3.72Å; A717-I756 HydrophobicContact CB-CD1 4.1Å; A717-I756 HydrophobicContact CB-CG2 4.23Å; L753-I756 HydrophobicContact CB-CD1 4.08Å; L753-I756 HydrophobicContact CB-CG1 4.04Å; L753-I756 HydrophobicContact CD1-CD1 4.28Å; L753-I756 HydrophobicContact CD2-CD1 4.19Å; L753-I756 HydrophobicContact CG-CD1 4.42Å; L753-I756 WeakPolarHBondContact O-CG1 2.94Å; L753-I756 PolarHBondContact O-N 3.45Å; R754-I756 PolarHBondContact O-N 3.03Å
757	L	83.6	Confident	84.3	Confident	15 Å²	15	60.6 Å²	60.6	8%	0.079	32%	0.32	C	S	.	.			trans	-81.5	126.7	-178.3	-172.8	65.7	0	0	0	110.2	V696 V706 A709 F736 R754 M759	V696-L757 HydrophobicContact CB-CD1 3.84Å; V696-L757 HydrophobicContact CG2-CD1 3.4Å; V706-L757 HydrophobicContact CG1-CD2 4.04Å; A709-L757 HydrophobicContact CB-CD1 4.16Å; F736-L757 HydrophobicContact CB-CD2 4.33Å; R754-L757 WeakPolarHBondContact O-CB 3.01Å; R754-L757 PolarHBondContact O-N 3.38Å; R754-L757 VanDerWaalsContact O-N 3.12Å; L757-M759 HydrophobicContact CD2-SD 3.62Å; L757-M759 HydrophobicContact CG-SD 4.13Å; L757-M759 PolarHBondContact O-N 3.06Å
758	D	82.8	Confident	85.4	Confident	78 Å²	78	59.7 Å²	59.7	42%	0.417	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-76.1	110.1	164	-175.9	0.5	0	0	0	108.6	G707 F708 S760	G707-D758 CarbonylContact C-O 3.58Å; G707-D758 WeakPolarHBondContact CA-O 3.48Å; F708-D758 HydrophobicContact CB-CB 4.46Å; F708-D758 PolarHBondContact N-O 3.08Å; F708-D758 WeakPolarHBondContact O-CB 3.35Å; F708-D758 PolarHBondContact O-N 3.48Å; D758-S760 VanDerWaalsContact C-N 3.3Å; D758-S760 PolarHBondContact OD1-N 2.8Å; D758-S760 VanDerWaalsContact OD1-N 3.12Å
759	M	83.8	Confident	86.2	Confident	90 Å²	90	60.7 Å²	60.7	44%	0.443	32%	0.32	S	S	.	.	S	Bend	trans	-78.7	-15	-175.7	-65.9	-67.2	-53.5	0	0	112.9	R754 L757 P761	R754-M759 PolarHBondContact NH1-SD 2.99Å; L757-M759 HydrophobicContact CD2-SD 3.62Å; L757-M759 HydrophobicContact CG-SD 4.13Å; L757-M759 PolarHBondContact O-N 3.06Å; M759-P761 VanDerWaalsContact C-CD 3.44Å
760	S	85.2	Confident	86.8	Confident	88 Å²	88	53.4 Å²	53.4	62%	0.615	29%	0.292	S	S	*	.	S	Bend	trans	-132.4	59.2	-176.5	60	0	0	0	0	111.3	D758	D758-S760 VanDerWaalsContact C-N 3.3Å; D758-S760 PolarHBondContact OD1-N 2.8Å; D758-S760 VanDerWaalsContact OD1-N 3.12Å
761	P	87.8	Confident	87.1	Confident	18 Å²	18	56.9 Å²	56.9	12%	0.117	31%	0.306	C	S	.	.			trans	-64.3	146.6	174.4	30.8	-36.3	0	0	0	109.7	L705 F708 M759 T763 L786	L705-P761 HydrophobicContact CD2-CG 3.98Å; L705-P761 HydrophobicContact CG-CG 4.5Å; F708-P761 HydrophobicContact CB-CB 3.78Å; F708-P761 HydrophobicContact CB-CG 4.17Å; M759-P761 VanDerWaalsContact C-CD 3.44Å; P761-T763 WeakPolarHBondContact O-CG2 3.33Å; P761-T763 PolarHBondContact O-N 3.16Å; P761-L786 HydrophobicContact CB-CD1 3.84Å; P761-L786 HydrophobicContact CG-CD1 3.73Å
762	F	89.3	Confident	87.4	Confident	81 Å²	81	60.7 Å²	60.7	36%	0.355	33%	0.325	S	S	.	.			trans	-67.5	125.9	179.1	-163.3	-81.1	0	0	0	110.6	V764 I776 L780 L782 C785 L786	F762-V764 HydrophobicContact CD1-CG1 4.48Å; F762-V764 HydrophobicContact CE1-CG1 3.91Å; F762-I776 HydrophobicContact CD1-CG2 4.13Å; F762-I776 HydrophobicContact CE1-CD1 3.94Å; F762-I776 HydrophobicContact CE1-CG2 3.42Å; F762-I776 VanDerWaalsContact CE1-CG2 3.42Å; F762-I776 HydrophobicContact CE2-CG2 4.28Å; F762-I776 HydrophobicContact CZ-CD1 3.93Å; F762-I776 HydrophobicContact CZ-CG1 4.27Å; F762-I776 HydrophobicContact CZ-CG2 3.5Å; F762-L780 HydrophobicContact CD2-CD1 4.09Å; F762-L780 HydrophobicContact CE2-CD1 3.53Å; F762-L780 HydrophobicContact CZ-CD1 4.09Å; F762-L782 HydrophobicContact CB-CD1 3.83Å; F762-L782 HydrophobicContact CB-CD2 4.33Å; F762-L782 HydrophobicContact CD1-CD1 3.42Å; F762-L782 VanDerWaalsContact CD1-CD1 3.42Å; F762-L782 HydrophobicContact CD2-CD1 4.04Å; F762-L782 HydrophobicContact CE1-CD1 3.97Å; F762-L782 HydrophobicContact CE2-CD1 4.5Å; F762-L782 HydrophobicContact CG-CD1 3.47Å; F762-L782 VanDerWaalsContact CG-CD1 3.47Å; F762-L782 HydrophobicContact CG-CD2 4.41Å; F762-L782 HydrophobicContact CZ-CD1 4.47Å; F762-C785 HydrophobicContact CD1-CB 4.47Å; F762-L786 PolarHBondContact O-N 2.94Å
763	T	92.1	Very high	87.7	Confident	61 Å²	61	54.9 Å²	54.9	37%	0.374	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.5	-177.5	66.9	0	0	0	0	112.1	L705 P761 L786 T788	L705-T763 HydrophobicContact CD2-CG2 3.53Å; P761-T763 WeakPolarHBondContact O-CG2 3.33Å; P761-T763 PolarHBondContact O-N 3.16Å; T763-L786 CarbonylContact C-O 3.54Å; T763-L786 WeakPolarHBondContact CA-O 3.34Å; T763-L786 HydrophobicContact CG2-CB 4.06Å; T763-T788 HydrophobicContact CG2-CG2 4.09Å
764	V	94.3	Very high	87.9	Confident	11 Å²	11	54.7 Å²	54.7	7%	0.067	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	154.8	171	-65.8	0	0	0	0	109.7	A656 F762 I776 C785 L786 V787 T788	A656-V764 HydrophobicContact CB-CG2 4.33Å; F762-V764 HydrophobicContact CD1-CG1 4.48Å; F762-V764 HydrophobicContact CE1-CG1 3.91Å; V764-I776 HydrophobicContact CG1-CD1 4.25Å; V764-C785 VanDerWaalsContact CG1-SG 3.57Å; V764-C785 VanDerWaalsContact CG2-SG 3.56Å; V764-L786 PolarHBondContact N-O 2.98Å; V764-V787 HydrophobicContact CG2-CG2 3.97Å; V764-V787 WeakPolarHBondContact O-CA 3.39Å; V764-T788 PolarHBondContact O-N 3.42Å
765	T	93.8	Very high	88	Confident	77 Å²	77	53.3 Å²	53.3	47%	0.472	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	154.1	172.2	55.8	0	0	0	0	110.8	H767 T768 T788	T765-H767 PolarHBondContact O-N 3.43Å; T765-T768 PolarHBondContact N-OG1 3.37Å; T765-T768 WeakPolarHBondContact O-CB 3.33Å; T765-T768 PolarHBondContact O-N 3.37Å; T765-T768 VanDerWaalsContact O-N 3.1Å; T765-T768 PolarHBondContact O-OG1 2.68Å; T765-T768 VanDerWaalsContact O-OG1 3.06Å; T765-T768 PolarHBondContact OG1-OG1 2.93Å; T765-T788 WeakPolarHBondContact CA-O 3.18Å
766	D	92.1	Very high	88.4	Confident	18 Å²	18	49.4 Å²	49.4	10%	0.096	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.2	177.8	60.5	-37.1	0	0	0	114.2	R657 V787 T788 H789 L794	R657-D766 HydrophobicContact CB-CB 4.19Å; R657-D766 PolarHBondContact N-O 2.8Å; D766-V787 HydrophobicContact CB-CG1 3.99Å; D766-T788 PolarHBondContact N-O 2.97Å; D766-H789 VanDerWaalsContact CG-ND1 3.28Å; D766-H789 IonicContact OD1-CE1 3.93Å; D766-H789 IonicContact OD1-CG 3.86Å; D766-H789 IonicContact OD1-ND1 2.94Å; D766-H789 PolarHBondContact OD1-ND1 3.25Å; D766-H789 IonicContact OD2-CE1 3.82Å; D766-H789 IonicContact OD2-CG 3.91Å; D766-H789 IonicContact OD2-ND1 3.07Å; D766-H789 PolarHBondContact OD2-ND1 3.29Å; D766-L794 HydrophobicContact CB-CD1 4Å
767	H	91.6	Very high	88.6	Confident	107 Å²	107	47.9 Å²	47.9	50%	0.495	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	2.6	176.7	-62	-67.8	0	0	0	114.7	T765 P769	T765-H767 PolarHBondContact O-N 3.43Å; H767-P769 WeakPolarHBondContact O-CD 3.41Å
768	T	92.4	Very high	88.4	Confident	22 Å²	22	47.9 Å²	47.9	14%	0.135	26%	0.258	C	S	.	.			trans	-68.5	128.6	179.3	-56.9	0	0	0	0	110.1	A656 T765 I772 V773	A656-T768 PolarHBondContact N-O 2.95Å; T765-T768 PolarHBondContact N-OG1 3.37Å; T765-T768 WeakPolarHBondContact O-CB 3.33Å; T765-T768 PolarHBondContact O-N 3.37Å; T765-T768 VanDerWaalsContact O-N 3.1Å; T765-T768 PolarHBondContact O-OG1 2.68Å; T765-T768 VanDerWaalsContact O-OG1 3.06Å; T765-T768 PolarHBondContact OG1-OG1 2.93Å; T768-I772 HydrophobicContact CG2-CB 4Å; T768-I772 HydrophobicContact CG2-CG2 4.05Å; T768-V773 HydrophobicContact CG2-CG2 3.9Å
769	P	91.6	Very high	88.2	Confident	57 Å²	57	50.6 Å²	50.6	37%	0.37	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-58.2	141.2	173.5	-24.7	33.7	0	0	0	112.1	H767 E771 I772 V773	H767-P769 WeakPolarHBondContact O-CD 3.41Å; P769-E771 PolarHBondContact O-N 3.36Å; P769-I772 HydrophobicContact CG-CD1 4.33Å; P769-I772 PolarHBondContact O-N 3.35Å; P769-I772 VanDerWaalsContact O-N 3.13Å; P769-V773 PolarHBondContact O-N 3.4Å
770	M	88.8	Confident	88	Confident	1 Å²	1	50 Å²	50	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-26.2	-179.5	-81.2	-56.3	-55.7	0	0	113.3	F650 T654 V659 I772 V773 V774 I802	F650-M770 HydrophobicContact CD1-CB 4.22Å; F650-M770 HydrophobicContact CE1-CB 3.48Å; F650-M770 VanDerWaalsContact CE1-CB 3.48Å; F650-M770 HydrophobicContact CZ-CB 3.71Å; T654-M770 VanDerWaalsContact O-CB 3.26Å; T654-M770 WeakPolarHBondContact O-CB 3.42Å; T654-M770 VanDerWaalsContact O-CG 3.3Å; T654-M770 WeakPolarHBondContact O-CG 3.46Å; T654-M770 PolarHBondContact O-N 2.92Å; T654-M770 WeakPolarHBondContact OG1-CG 3.36Å; V659-M770 HydrophobicContact CB-CE 4.16Å; V659-M770 HydrophobicContact CB-SD 3.88Å; V659-M770 HydrophobicContact CG1-CE 4.12Å; V659-M770 HydrophobicContact CG1-SD 4.48Å; V659-M770 HydrophobicContact CG2-CE 3.89Å; V659-M770 HydrophobicContact CG2-CG 3.78Å; V659-M770 HydrophobicContact CG2-SD 3.58Å; V659-M770 VanDerWaalsContact CG2-SD 3.58Å; M770-I772 VanDerWaalsContact C-N 3.33Å; M770-I772 PolarHBondContact O-N 3.06Å; M770-V773 HydrophobicContact CE-CB 4.09Å; M770-V773 HydrophobicContact CE-CG1 4.06Å; M770-V773 PolarHBondContact O-N 3.49Å; M770-V773 HydrophobicContact SD-CB 4.05Å; M770-V773 HydrophobicContact SD-CG1 4.27Å; M770-V773 HydrophobicContact SD-CG2 4.18Å; M770-V774 HydrophobicContact CE-CG2 4.12Å; M770-V774 WeakPolarHBondContact O-CB 3.26Å; M770-V774 WeakPolarHBondContact O-CG2 3.42Å; M770-V774 PolarHBondContact O-N 2.96Å; M770-I802 HydrophobicContact CE-CG1 4.1Å
771	E	86.8	Confident	87.5	Confident	109 Å²	109	46.3 Å²	46.3	51%	0.509	24%	0.241	S	C	.	.	H	α-helix	trans	-54.3	-50.7	171.7	-176.1	-175	-179.4	0	0	111.1	F650 P769 V773 V774 D775	F650-E771 HydrophobicContact CB-CB 4.26Å; F650-E771 HydrophobicContact CB-CG 4.32Å; F650-E771 HydrophobicContact CD1-CB 4.16Å; P769-E771 PolarHBondContact O-N 3.36Å; E771-V773 PolarHBondContact O-N 2.96Å; E771-V774 PolarHBondContact O-N 2.98Å; E771-D775 WeakPolarHBondContact O-CB 3.28Å; E771-D775 PolarHBondContact O-N 3.26Å
772	I	89.1	Confident	87.2	Confident	85 Å²	85	46 Å²	46	44%	0.436	24%	0.238	S	C	.	.	H	α-helix	trans	-64.1	-43.1	178.3	-58.9	-178.7	0	0	0	110.5	T768 P769 M770 D775 I776	T768-I772 HydrophobicContact CG2-CB 4Å; T768-I772 HydrophobicContact CG2-CG2 4.05Å; P769-I772 HydrophobicContact CG-CD1 4.33Å; P769-I772 PolarHBondContact O-N 3.35Å; P769-I772 VanDerWaalsContact O-N 3.13Å; M770-I772 VanDerWaalsContact C-N 3.33Å; M770-I772 PolarHBondContact O-N 3.06Å; I772-D775 PolarHBondContact O-N 3.44Å; I772-I776 HydrophobicContact CG2-CD1 3.8Å; I772-I776 HydrophobicContact CG2-CG1 4.37Å; I772-I776 WeakPolarHBondContact O-CB 3.41Å; I772-I776 WeakPolarHBondContact O-CD1 3.02Å; I772-I776 WeakPolarHBondContact O-CG1 2.79Å; I772-I776 PolarHBondContact O-N 3.02Å
773	V	89.7	Confident	86.8	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-48.1	178.1	179.8	0	0	0	0	110.5	A656 T768 P769 M770 E771 D775 I776 F777 I797 I802	A656-V773 HydrophobicContact CB-CG2 4.12Å; T768-V773 HydrophobicContact CG2-CG2 3.9Å; P769-V773 PolarHBondContact O-N 3.4Å; M770-V773 HydrophobicContact CE-CB 4.09Å; M770-V773 HydrophobicContact CE-CG1 4.06Å; M770-V773 PolarHBondContact O-N 3.49Å; M770-V773 HydrophobicContact SD-CB 4.05Å; M770-V773 HydrophobicContact SD-CG1 4.27Å; M770-V773 HydrophobicContact SD-CG2 4.18Å; E771-V773 PolarHBondContact O-N 2.96Å; V773-D775 VanDerWaalsContact C-N 3.31Å; V773-D775 PolarHBondContact O-N 3.14Å; V773-I776 WeakPolarHBondContact O-CB 3.31Å; V773-I776 PolarHBondContact O-N 3.15Å; V773-F777 HydrophobicContact CG1-CD2 3.92Å; V773-F777 HydrophobicContact CG1-CE2 3.91Å; V773-F777 VanDerWaalsContact O-CD2 3.3Å; V773-F777 WeakPolarHBondContact O-CD2 3.26Å; V773-F777 PolarHBondContact O-N 3.04Å; V773-I797 HydrophobicContact CG1-CD1 4.15Å; V773-I797 HydrophobicContact CG1-CG2 4.38Å; V773-I802 HydrophobicContact CG1-CD1 4.36Å
774	V	87.6	Confident	86.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.9	-45.5	177.4	170.1	0	0	0	0	110.3	L644 F650 M770 E771 I776 F777 R778 I802	L644-V774 HydrophobicContact CD1-CG1 4.34Å; L644-V774 HydrophobicContact CD2-CG1 4.44Å; F650-V774 HydrophobicContact CD2-CG2 4.18Å; F650-V774 HydrophobicContact CE2-CG2 4.48Å; M770-V774 HydrophobicContact CE-CG2 4.12Å; M770-V774 WeakPolarHBondContact O-CB 3.26Å; M770-V774 WeakPolarHBondContact O-CG2 3.42Å; M770-V774 PolarHBondContact O-N 2.96Å; E771-V774 PolarHBondContact O-N 2.98Å; V774-I776 VanDerWaalsContact C-N 3.33Å; V774-I776 PolarHBondContact O-N 3.34Å; V774-F777 PolarHBondContact O-N 3.36Å; V774-R778 HydrophobicContact CG1-CG 4.3Å; V774-R778 WeakPolarHBondContact O-CB 3.35Å; V774-R778 VanDerWaalsContact O-CG 3.28Å; V774-R778 WeakPolarHBondContact O-CG 3.25Å; V774-R778 PolarHBondContact O-N 3.38Å; V774-I802 HydrophobicContact CG2-CG2 3.74Å
775	D	85.6	Confident	86.5	Confident	49 Å²	49	43 Å²	43	26%	0.262	22%	0.218	S	C	.	.	H	α-helix	trans	-61.8	-37.9	177.9	-106.8	27.9	0	0	0	113.4	E771 I772 V773 R778 K779	E771-D775 WeakPolarHBondContact O-CB 3.28Å; E771-D775 PolarHBondContact O-N 3.26Å; I772-D775 PolarHBondContact O-N 3.44Å; V773-D775 VanDerWaalsContact C-N 3.31Å; V773-D775 PolarHBondContact O-N 3.14Å; D775-R778 WeakPolarHBondContact O-CB 3.34Å; D775-R778 PolarHBondContact O-N 3Å; D775-R778 IonicContact OD1-NH1 2.64Å; D775-K779 WeakPolarHBondContact O-CB 3.01Å; D775-K779 WeakPolarHBondContact O-CG 3.46Å; D775-K779 PolarHBondContact O-N 2.89Å; D775-K779 IonicContact OD2-NZ 3.84Å; D775-K779 PolarHBondContact OD2-NZ 2.03Å
776	I	87.4	Confident	86.4	Confident	32 Å²	32	39.5 Å²	39.5	16%	0.164	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-49.2	173	-72.5	166.2	0	0	0	110.2	F762 V764 I772 V773 V774 R778 L780 L782	F762-I776 HydrophobicContact CD1-CG2 4.13Å; F762-I776 HydrophobicContact CE1-CD1 3.94Å; F762-I776 HydrophobicContact CE1-CG2 3.42Å; F762-I776 VanDerWaalsContact CE1-CG2 3.42Å; F762-I776 HydrophobicContact CE2-CG2 4.28Å; F762-I776 HydrophobicContact CZ-CD1 3.93Å; F762-I776 HydrophobicContact CZ-CG1 4.27Å; F762-I776 HydrophobicContact CZ-CG2 3.5Å; V764-I776 HydrophobicContact CG1-CD1 4.25Å; I772-I776 HydrophobicContact CG2-CD1 3.8Å; I772-I776 HydrophobicContact CG2-CG1 4.37Å; I772-I776 WeakPolarHBondContact O-CB 3.41Å; I772-I776 WeakPolarHBondContact O-CD1 3.02Å; I772-I776 WeakPolarHBondContact O-CG1 2.79Å; I772-I776 PolarHBondContact O-N 3.02Å; V773-I776 WeakPolarHBondContact O-CB 3.31Å; V773-I776 PolarHBondContact O-N 3.15Å; V774-I776 VanDerWaalsContact C-N 3.33Å; V774-I776 PolarHBondContact O-N 3.34Å; I776-R778 VanDerWaalsContact C-N 3.26Å; I776-R778 PolarHBondContact O-N 3.32Å; I776-L780 HydrophobicContact CG2-CD1 4.02Å; I776-L780 WeakPolarHBondContact O-CB 3.47Å; I776-L780 PolarHBondContact O-N 3.08Å; I776-L782 HydrophobicContact CG2-CD1 3.4Å; I776-L782 HydrophobicContact CG2-CG 4.21Å
777	F	85.6	Confident	86.5	Confident	5 Å²	5	38.6 Å²	38.6	2%	0.022	19%	0.192	C	C	.	.	H	α-helix	trans	-61	-38.4	178.7	-92.4	-95.5	0	0	0	112.4	L644 V773 V774 G781 L782 C785 I797 K799 I802	L644-F777 HydrophobicContact CD2-CB 4.32Å; V773-F777 HydrophobicContact CG1-CD2 3.92Å; V773-F777 HydrophobicContact CG1-CE2 3.91Å; V773-F777 VanDerWaalsContact O-CD2 3.3Å; V773-F777 WeakPolarHBondContact O-CD2 3.26Å; V773-F777 PolarHBondContact O-N 3.04Å; V774-F777 PolarHBondContact O-N 3.36Å; F777-G781 VanDerWaalsContact O-CA 3.25Å; F777-G781 WeakPolarHBondContact O-CA 3.4Å; F777-G781 PolarHBondContact O-N 3.12Å; F777-L782 HydrophobicContact CD1-CB 4.09Å; F777-L782 VanDerWaalsContact CD1-O 3.23Å; F777-L782 WeakPolarHBondContact CD1-O 3.26Å; F777-L782 HydrophobicContact CE1-CB 4.15Å; F777-L782 WeakPolarHBondContact CE1-O 3.39Å; F777-L782 HydrophobicContact CG-CB 4.39Å; F777-L782 PolarHBondContact O-N 3.41Å; F777-C785 HydrophobicContact CE2-CB 3.57Å; F777-C785 HydrophobicContact CZ-CB 3.72Å; F777-I797 HydrophobicContact CE2-CB 4.44Å; F777-I797 HydrophobicContact CE2-CG2 3.91Å; F777-I797 HydrophobicContact CZ-CB 4.4Å; F777-I797 HydrophobicContact CZ-CG2 3.96Å; F777-I797 WeakPolarHBondContact CZ-O 3.47Å; F777-K799 HydrophobicContact CD1-CB 4.15Å; F777-K799 HydrophobicContact CE1-CB 4.34Å; F777-I802 HydrophobicContact CB-CD1 4.04Å; F777-I802 HydrophobicContact CD1-CD1 3.97Å; F777-I802 HydrophobicContact CD2-CD1 3.43Å; F777-I802 VanDerWaalsContact CD2-CD1 3.43Å; F777-I802 HydrophobicContact CE1-CD1 4.27Å; F777-I802 HydrophobicContact CE2-CD1 3.75Å; F777-I802 HydrophobicContact CG-CD1 3.53Å; F777-I802 HydrophobicContact CZ-CD1 4.16Å
778	R	79.6	Confident	86.6	Confident	15 Å²	15	34.3 Å²	34.3	6%	0.057	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-71.5	172.6	-86	179.2	-176.9	163.9	-1.3	110	Y344 L644 D645 E648 V774 D775 I776 L780 G781	Y344-R778 WeakPolarHBondContact CE1-O 3.32Å; Y344-R778 HydrophobicContact CE2-CB 4.15Å; Y344-R778 HydrophobicContact CE2-CG 4.15Å; Y344-R778 VanDerWaalsContact OH-CA 3.29Å; Y344-R778 WeakPolarHBondContact OH-CA 3.12Å; Y344-R778 WeakPolarHBondContact OH-CB 3.4Å; Y344-R778 PolarHBondContact OH-O 3.03Å; L644-R778 HydrophobicContact CD2-CG 3.72Å; L644-R778 HydrophobicContact CG-CG 4.08Å; D645-R778 PolarHBondContact O-NE 3.1Å; D645-R778 PolarHBondContact O-NH2 3.09Å; E648-R778 PolarHBondContact O-NH1 3.4Å; E648-R778 PolarHBondContact O-NH2 3.42Å; V774-R778 HydrophobicContact CG1-CG 4.3Å; V774-R778 WeakPolarHBondContact O-CB 3.35Å; V774-R778 VanDerWaalsContact O-CG 3.28Å; V774-R778 WeakPolarHBondContact O-CG 3.25Å; V774-R778 PolarHBondContact O-N 3.38Å; D775-R778 WeakPolarHBondContact O-CB 3.34Å; D775-R778 PolarHBondContact O-N 3Å; D775-R778 IonicContact OD1-NH1 2.64Å; I776-R778 VanDerWaalsContact C-N 3.26Å; I776-R778 PolarHBondContact O-N 3.32Å; R778-L780 PolarHBondContact O-N 3.32Å; R778-G781 PolarHBondContact O-N 2.8Å
779	K	79.1	Confident	86.7	Confident	135 Å²	135	36.5 Å²	36.5	59%	0.587	18%	0.182	S	C	*	.	H	α-helix	trans	-66.9	-40.4	-168.2	-68.7	169.2	176	157.3	0	113.6	Y344 D775	Y344-K779 PolarHBondContact OH-N 3.44Å; D775-K779 WeakPolarHBondContact O-CB 3.01Å; D775-K779 WeakPolarHBondContact O-CG 3.46Å; D775-K779 PolarHBondContact O-N 2.89Å; D775-K779 IonicContact OD2-NZ 3.84Å; D775-K779 PolarHBondContact OD2-NZ 2.03Å
780	L	78.3	Confident	86.6	Confident	78 Å²	78	40.5 Å²	40.5	41%	0.408	20%	0.2	S	C	.	.	H	α-helix	trans	-88	-15.1	-179.1	-60.5	-178.1	0	0	0	113	F762 I776 R778 L782	F762-L780 HydrophobicContact CD2-CD1 4.09Å; F762-L780 HydrophobicContact CE2-CD1 3.53Å; F762-L780 HydrophobicContact CZ-CD1 4.09Å; I776-L780 HydrophobicContact CG2-CD1 4.02Å; I776-L780 WeakPolarHBondContact O-CB 3.47Å; I776-L780 PolarHBondContact O-N 3.08Å; R778-L780 PolarHBondContact O-N 3.32Å; L780-L782 HydrophobicContact CB-CD2 3.95Å; L780-L782 HydrophobicContact CB-CG 3.97Å; L780-L782 HydrophobicContact CD1-CD2 4.44Å
781	G	75.7	Confident	86.5	Confident	11 Å²	11	42.1 Å²	42.1	11%	0.113	22%	0.217	C	C	.	.			trans	63.1	44.1	-174.2	0	0	0	0	0	111.8	W95 F777 R778	W95-G781 VanDerWaalsContact CD1-CA 3.47Å; F777-G781 VanDerWaalsContact O-CA 3.25Å; F777-G781 WeakPolarHBondContact O-CA 3.4Å; F777-G781 PolarHBondContact O-N 3.12Å; R778-G781 PolarHBondContact O-N 2.8Å
782	L	81.3	Confident	86.8	Confident	12 Å²	12	39.7 Å²	39.7	6%	0.063	21%	0.208	C	C	.	.			trans	-68.4	139.7	179.8	-61.3	-174.6	0	0	0	111	V96 F762 I776 F777 L780 C785	V96-L782 HydrophobicContact CG2-CD2 3.85Å; F762-L782 HydrophobicContact CB-CD1 3.83Å; F762-L782 HydrophobicContact CB-CD2 4.33Å; F762-L782 HydrophobicContact CD1-CD1 3.42Å; F762-L782 VanDerWaalsContact CD1-CD1 3.42Å; F762-L782 HydrophobicContact CD2-CD1 4.04Å; F762-L782 HydrophobicContact CE1-CD1 3.97Å; F762-L782 HydrophobicContact CE2-CD1 4.5Å; F762-L782 HydrophobicContact CG-CD1 3.47Å; F762-L782 VanDerWaalsContact CG-CD1 3.47Å; F762-L782 HydrophobicContact CG-CD2 4.41Å; F762-L782 HydrophobicContact CZ-CD1 4.47Å; I776-L782 HydrophobicContact CG2-CD1 3.4Å; I776-L782 HydrophobicContact CG2-CG 4.21Å; F777-L782 HydrophobicContact CD1-CB 4.09Å; F777-L782 VanDerWaalsContact CD1-O 3.23Å; F777-L782 WeakPolarHBondContact CD1-O 3.26Å; F777-L782 HydrophobicContact CE1-CB 4.15Å; F777-L782 WeakPolarHBondContact CE1-O 3.39Å; F777-L782 HydrophobicContact CG-CB 4.39Å; F777-L782 PolarHBondContact O-N 3.41Å; L780-L782 HydrophobicContact CB-CD2 3.95Å; L780-L782 HydrophobicContact CB-CG 3.97Å; L780-L782 HydrophobicContact CD1-CD2 4.44Å; L782-C785 HydrophobicContact CD1-CB 4.46Å
783	R	80.7	Confident	86.9	Confident	46 Å²	46	36.1 Å²	36.1	17%	0.174	19%	0.189	C	C	.	.	S	Bend	trans	-73.6	-40.8	169.2	174.6	165.6	-171.6	-157.3	3.3	111.2	T92 N692	T92-R783 WeakPolarHBondContact OG1-CG 3.3Å; T92-R783 PolarHBondContact OG1-NE 3.48Å; N692-R783 VanDerWaalsContact CG-NH2 3.34Å; N692-R783 PolarHBondContact ND2-NH2 3.25Å
784	Q	88.2	Confident	87	Confident	43 Å²	43	39.3 Å²	39.3	20%	0.201	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	159.3	-174.3	68.3	-164.7	18.2	0	0	109.2	F708 I796 I797 T798	F708-Q784 VanDerWaalsContact CD1-NE2 3.27Å; F708-Q784 VanDerWaalsContact CE2-NE2 3.26Å; Q784-I796 HydrophobicContact CB-CG2 4.11Å; Q784-I797 CarbonylContact C-O 3.55Å; Q784-I797 VanDerWaalsContact CA-O 3.24Å; Q784-I797 WeakPolarHBondContact CA-O 3.45Å; Q784-T798 HydrophobicContact CB-CG2 4.26Å
785	C	91.2	Very high	87.2	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	136.8	176.1	176.2	0	0	0	0	108.7	F762 V764 F777 L782 I796 I797	F762-C785 HydrophobicContact CD1-CB 4.47Å; V764-C785 VanDerWaalsContact CG1-SG 3.57Å; V764-C785 VanDerWaalsContact CG2-SG 3.56Å; F777-C785 HydrophobicContact CE2-CB 3.57Å; F777-C785 HydrophobicContact CZ-CB 3.72Å; L782-C785 HydrophobicContact CD1-CB 4.46Å; C785-I796 WeakPolarHBondContact O-CA 3.27Å; C785-I797 PolarHBondContact N-O 3.38Å; C785-I797 PolarHBondContact O-N 3.36Å
786	L	92.9	Very high	87.5	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.5	177.1	-54.6	176.6	0	0	0	109.7	P695 L705 F708 P761 F762 T763 V764 I796	P695-L786 HydrophobicContact CB-CD1 4.49Å; P695-L786 HydrophobicContact CB-CD2 4.42Å; L705-L786 HydrophobicContact CD1-CD1 3.63Å; L705-L786 HydrophobicContact CD2-CD1 3.7Å; L705-L786 HydrophobicContact CG-CD1 4.34Å; F708-L786 HydrophobicContact CD2-CD1 4.3Å; F708-L786 HydrophobicContact CD2-CD2 4.08Å; F708-L786 HydrophobicContact CE2-CD2 4.31Å; P761-L786 HydrophobicContact CB-CD1 3.84Å; P761-L786 HydrophobicContact CG-CD1 3.73Å; F762-L786 PolarHBondContact O-N 2.94Å; T763-L786 CarbonylContact C-O 3.54Å; T763-L786 WeakPolarHBondContact CA-O 3.34Å; T763-L786 HydrophobicContact CG2-CB 4.06Å; V764-L786 PolarHBondContact N-O 2.98Å; L786-I796 HydrophobicContact CD2-CB 4.37Å; L786-I796 HydrophobicContact CD2-CD1 3.7Å; L786-I796 HydrophobicContact CD2-CG1 3.57Å; L786-I796 HydrophobicContact CD2-CG2 4.26Å
787	V	94.4	Very high	87.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.1	173.3	-174.7	0	0	0	0	108.3	M660 V764 D766 L794 G795 I797	M660-V787 HydrophobicContact CB-CB 4.4Å; M660-V787 HydrophobicContact CB-CG2 3.79Å; M660-V787 HydrophobicContact SD-CB 3.74Å; M660-V787 HydrophobicContact SD-CG1 3.67Å; M660-V787 HydrophobicContact SD-CG2 4.14Å; V764-V787 HydrophobicContact CG2-CG2 3.97Å; V764-V787 WeakPolarHBondContact O-CA 3.39Å; D766-V787 HydrophobicContact CB-CG1 3.99Å; V787-L794 PolarHBondContact O-N 3.24Å; V787-G795 PolarHBondContact N-O 3.46Å; V787-G795 PolarHBondContact O-N 3.15Å; V787-I797 HydrophobicContact CG2-CD1 3.5Å; V787-I797 HydrophobicContact CG2-CG1 3.73Å
788	T	93.8	Very high	87.9	Confident	16 Å²	16	38 Å²	38	10%	0.098	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	149.6	-179.8	68.7	0	0	0	0	111.8	L705 T763 V764 T765 D766 N792	L705-T788 HydrophobicContact CD2-CG2 4.14Å; T763-T788 HydrophobicContact CG2-CG2 4.09Å; V764-T788 PolarHBondContact O-N 3.42Å; T765-T788 WeakPolarHBondContact CA-O 3.18Å; D766-T788 PolarHBondContact N-O 2.97Å; T788-N792 CarbonylContact C-O 3.33Å; T788-N792 WeakPolarHBondContact CA-O 3.41Å; T788-N792 WeakPolarHBondContact CB-O 3.24Å
789	H	93.3	Very high	88	Confident	69 Å²	69	38.2 Å²	38.2	32%	0.319	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	116.4	171	-173.4	89	0	0	0	108.3	D766 G791 N792 L794	D766-H789 VanDerWaalsContact CG-ND1 3.28Å; D766-H789 IonicContact OD1-CE1 3.93Å; D766-H789 IonicContact OD1-CG 3.86Å; D766-H789 IonicContact OD1-ND1 2.94Å; D766-H789 PolarHBondContact OD1-ND1 3.25Å; D766-H789 IonicContact OD2-CE1 3.82Å; D766-H789 IonicContact OD2-CG 3.91Å; D766-H789 IonicContact OD2-ND1 3.07Å; D766-H789 PolarHBondContact OD2-ND1 3.29Å; H789-G791 PolarHBondContact O-N 3.16Å; H789-G791 VanDerWaalsContact O-N 3.12Å; H789-N792 PolarHBondContact N-O 3.25Å; H789-N792 WeakPolarHBondContact O-CB 3.47Å; H789-N792 PolarHBondContact O-N 2.79Å; H789-L794 HydrophobicContact CB-CD1 3.59Å; H789-L794 HydrophobicContact CB-CG 4.11Å
790	N	90.1	Very high	88.1	Confident	140 Å²	140	34 Å²	34	75%	0.749	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	35.3	-175.2	-60.3	-30.5	0	0	0	114.1	N792	N790-N792 VanDerWaalsContact C-N 3.34Å
791	G	86.9	Confident	88.5	Confident	36 Å²	36	31.3 Å²	31.3	37%	0.371	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-5.7	-179.1	0	0	0	0	0	115.4	R704 L705 H789	R704-G791 WeakPolarHBondContact CA-O 3.48Å; L705-G791 PolarHBondContact N-O 2.9Å; H789-G791 PolarHBondContact O-N 3.16Å; H789-G791 VanDerWaalsContact O-N 3.12Å
792	N	91.8	Very high	89	Confident	58 Å²	58	30.9 Å²	30.9	31%	0.31	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	136.8	175.2	-62.6	-3.3	0	0	0	110.3	S702 Q703 R704 T788 H789 N790 L794	S702-N792 PolarHBondContact O-OD1 3.43Å; Q703-N792 WeakPolarHBondContact O-CA 3.33Å; R704-N792 WeakPolarHBondContact CG-OD1 3.01Å; T788-N792 CarbonylContact C-O 3.33Å; T788-N792 WeakPolarHBondContact CA-O 3.41Å; T788-N792 WeakPolarHBondContact CB-O 3.24Å; H789-N792 PolarHBondContact N-O 3.25Å; H789-N792 WeakPolarHBondContact O-CB 3.47Å; H789-N792 PolarHBondContact O-N 2.79Å; N790-N792 VanDerWaalsContact C-N 3.34Å; N792-L794 PolarHBondContact O-N 2.95Å
793	V	92.1	Very high	89	Confident	9 Å²	9	30.8 Å²	30.8	6%	0.055	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	117.6	179	-176.2	0	0	0	0	109.9	L669 P695 I697 Q703 L705	L669-V793 HydrophobicContact CD2-CG1 3.77Å; P695-V793 HydrophobicContact CB-CG1 4.42Å; P695-V793 HydrophobicContact CG-CG1 4.44Å; I697-V793 HydrophobicContact CG2-CB 4.46Å; I697-V793 HydrophobicContact CG2-CG2 4.01Å; Q703-V793 PolarHBondContact O-N 3.41Å; L705-V793 HydrophobicContact CB-CG2 3.56Å; L705-V793 HydrophobicContact CD1-CG2 3.65Å; L705-V793 HydrophobicContact CD2-CG2 4.49Å; L705-V793 HydrophobicContact CG-CG2 4.07Å
794	L	90.9	Very high	89.1	Confident	68 Å²	68	31.4 Å²	31.4	36%	0.356	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-42.7	176.2	-64.3	-179.4	0	0	0	112	M660 D766 V787 H789 N792	M660-L794 HydrophobicContact CE-CB 3.95Å; M660-L794 HydrophobicContact CE-CD1 4.41Å; M660-L794 HydrophobicContact SD-CB 3.92Å; D766-L794 HydrophobicContact CB-CD1 4Å; V787-L794 PolarHBondContact O-N 3.24Å; H789-L794 HydrophobicContact CB-CD1 3.59Å; H789-L794 HydrophobicContact CB-CG 4.11Å; N792-L794 PolarHBondContact O-N 2.95Å
795	G	91.9	Very high	88.8	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-178.9	-172.7	0	0	0	0	0	113.5	R661 V787	R661-G795 CarbonylContact O-C 3.39Å; R661-G795 WeakPolarHBondContact O-CA 3.46Å; V787-G795 PolarHBondContact N-O 3.46Å; V787-G795 PolarHBondContact O-N 3.15Å
796	I	92.3	Very high	88.3	Confident	20 Å²	20	30.9 Å²	30.9	10%	0.103	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.6	178.5	-51.1	-170.6	0	0	0	108	R661 L669 P695 F708 Q784 C785 L786 T798	R661-I796 PolarHBondContact N-O 2.9Å; R661-I796 PolarHBondContact O-N 3.46Å; L669-I796 HydrophobicContact CD1-CD1 3.85Å; L669-I796 HydrophobicContact CD1-CG1 3.84Å; L669-I796 HydrophobicContact CD2-CD1 4.3Å; L669-I796 HydrophobicContact CD2-CG1 4Å; P695-I796 HydrophobicContact CG-CD1 4.29Å; F708-I796 HydrophobicContact CE2-CD1 4.24Å; Q784-I796 HydrophobicContact CB-CG2 4.11Å; C785-I796 WeakPolarHBondContact O-CA 3.27Å; L786-I796 HydrophobicContact CD2-CB 4.37Å; L786-I796 HydrophobicContact CD2-CD1 3.7Å; L786-I796 HydrophobicContact CD2-CG1 3.57Å; L786-I796 HydrophobicContact CD2-CG2 4.26Å; I796-T798 HydrophobicContact CG2-CG2 4.23Å
797	I	92.1	Very high	87.5	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.5	168	-63.5	169.9	0	0	0	107.1	A656 M660 V773 F777 Q784 C785 V787 I802	A656-I797 HydrophobicContact CB-CD1 3.97Å; M660-I797 HydrophobicContact CB-CD1 4.36Å; M660-I797 HydrophobicContact CB-CG1 3.79Å; V773-I797 HydrophobicContact CG1-CD1 4.15Å; V773-I797 HydrophobicContact CG1-CG2 4.38Å; F777-I797 HydrophobicContact CE2-CB 4.44Å; F777-I797 HydrophobicContact CE2-CG2 3.91Å; F777-I797 HydrophobicContact CZ-CB 4.4Å; F777-I797 HydrophobicContact CZ-CG2 3.96Å; F777-I797 WeakPolarHBondContact CZ-O 3.47Å; Q784-I797 CarbonylContact C-O 3.55Å; Q784-I797 VanDerWaalsContact CA-O 3.24Å; Q784-I797 WeakPolarHBondContact CA-O 3.45Å; C785-I797 PolarHBondContact N-O 3.38Å; C785-I797 PolarHBondContact O-N 3.36Å; V787-I797 HydrophobicContact CG2-CD1 3.5Å; V787-I797 HydrophobicContact CG2-CG1 3.73Å; I797-I802 HydrophobicContact CG2-CD1 3.92Å; I797-I802 HydrophobicContact CG2-CG1 3.71Å
798	T	88.6	Confident	86.7	Confident	38 Å²	38	37.6 Å²	37.6	23%	0.233	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	160.9	170.9	69.5	0	0	0	0	110.2	Q784 I796 K800 N801 I802	Q784-T798 HydrophobicContact CB-CG2 4.26Å; I796-T798 HydrophobicContact CG2-CG2 4.23Å; T798-K800 PolarHBondContact O-N 2.92Å; T798-K800 VanDerWaalsContact O-N 3.12Å; T798-N801 PolarHBondContact N-OD1 2.92Å; T798-N801 PolarHBondContact O-N 3.28Å; T798-N801 VanDerWaalsContact OG1-CG 3.29Å; T798-N801 PolarHBondContact OG1-N 3.34Å; T798-N801 PolarHBondContact OG1-OD1 2.99Å; T798-I802 PolarHBondContact O-N 2.77Å
799	K	82.4	Confident	85.8	Confident	21 Å²	21	37.6 Å²	37.6	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-54.4	-33.1	175.2	-170.4	172.9	-178	-178.4	0	112.1	S251 F253 F777 L803	S251-K799 PolarHBondContact O-NZ 2.91Å; F253-K799 HydrophobicContact CE1-CD 4.44Å; F253-K799 HydrophobicContact CE2-CD 4.05Å; F253-K799 VanDerWaalsContact CE2-NZ 3.28Å; F253-K799 HydrophobicContact CZ-CD 3.58Å; F253-K799 HydrophobicContact CZ-CG 4.18Å; F777-K799 HydrophobicContact CD1-CB 4.15Å; F777-K799 HydrophobicContact CE1-CB 4.34Å; K799-L803 VanDerWaalsContact O-CG 3.32Å; K799-L803 WeakPolarHBondContact O-CG 3.29Å; K799-L803 PolarHBondContact O-N 2.99Å
800	K	80.8	Confident	84.7	Confident	46 Å²	46	37.5 Å²	37.5	20%	0.2	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-44.2	175.9	-66.5	-177.3	175.7	-174.3	0	112.2	Y87 D88 T798 I802 L803 E804	Y87-K800 WeakPolarHBondContact O-CE 3.1Å; Y87-K800 PolarHBondContact O-NZ 3.45Å; D88-K800 IonicContact OD1-NZ 3.23Å; D88-K800 PolarHBondContact OD1-NZ 2.89Å; T798-K800 PolarHBondContact O-N 2.92Å; T798-K800 VanDerWaalsContact O-N 3.12Å; K800-I802 VanDerWaalsContact C-N 3.28Å; K800-I802 PolarHBondContact O-N 3.16Å; K800-L803 PolarHBondContact O-N 3.1Å; K800-L803 VanDerWaalsContact O-N 3.12Å; K800-E804 WeakPolarHBondContact O-CG 3.35Å; K800-E804 PolarHBondContact O-N 3.29Å
801	N	86.1	Confident	83.5	Confident	22 Å²	22	37.9 Å²	37.9	12%	0.118	19%	0.194	C	C	.	.	H	α-helix	trans	-65.7	-34.7	-179.4	-54.8	129.4	0	0	0	112	V659 T798 E804 H805	V659-N801 HydrophobicContact CG1-CB 4.32Å; T798-N801 PolarHBondContact N-OD1 2.92Å; T798-N801 PolarHBondContact O-N 3.28Å; T798-N801 VanDerWaalsContact OG1-CG 3.29Å; T798-N801 PolarHBondContact OG1-N 3.34Å; T798-N801 PolarHBondContact OG1-OD1 2.99Å; N801-E804 PolarHBondContact ND2-OE2 3.46Å; N801-H805 VanDerWaalsContact O-CB 3.31Å; N801-H805 WeakPolarHBondContact O-CB 3.27Å; N801-H805 PolarHBondContact O-N 3.22Å
802	I	86.6	Confident	82.3	Confident	1 Å²	1	43 Å²	43	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-46.4	172.5	-63.6	176.1	0	0	0	110.5	L644 M770 V773 V774 F777 I797 T798 K800 H805 L806	L644-I802 HydrophobicContact CD1-CG2 4.09Å; M770-I802 HydrophobicContact CE-CG1 4.1Å; V773-I802 HydrophobicContact CG1-CD1 4.36Å; V774-I802 HydrophobicContact CG2-CG2 3.74Å; F777-I802 HydrophobicContact CB-CD1 4.04Å; F777-I802 HydrophobicContact CD1-CD1 3.97Å; F777-I802 HydrophobicContact CD2-CD1 3.43Å; F777-I802 VanDerWaalsContact CD2-CD1 3.43Å; F777-I802 HydrophobicContact CE1-CD1 4.27Å; F777-I802 HydrophobicContact CE2-CD1 3.75Å; F777-I802 HydrophobicContact CG-CD1 3.53Å; F777-I802 HydrophobicContact CZ-CD1 4.16Å; I797-I802 HydrophobicContact CG2-CD1 3.92Å; I797-I802 HydrophobicContact CG2-CG1 3.71Å; T798-I802 PolarHBondContact O-N 2.77Å; K800-I802 VanDerWaalsContact C-N 3.28Å; K800-I802 PolarHBondContact O-N 3.16Å; I802-H805 PolarHBondContact O-N 2.63Å; I802-L806 HydrophobicContact CG2-CD1 3.97Å; I802-L806 HydrophobicContact CG2-CG 4.47Å; I802-L806 WeakPolarHBondContact O-CB 3.05Å; I802-L806 VanDerWaalsContact O-CG 3.27Å; I802-L806 WeakPolarHBondContact O-CG 3.46Å; I802-L806 PolarHBondContact O-N 3.15Å
803	L	82.3	Confident	80.7	Confident	11 Å²	11	44.7 Å²	44.7	6%	0.058	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-45	178.9	-68.3	170	0	0	0	112	F253 P642 F643 L644 K799 K800 H805 L806 E807	F253-L803 HydrophobicContact CZ-CD1 4.39Å; P642-L803 HydrophobicContact CB-CD1 3.53Å; F643-L803 VanDerWaalsContact O-CD2 3.3Å; F643-L803 WeakPolarHBondContact O-CD2 3.5Å; L644-L803 HydrophobicContact CB-CD2 4.19Å; L644-L803 HydrophobicContact CD1-CD2 4.13Å; K799-L803 VanDerWaalsContact O-CG 3.32Å; K799-L803 WeakPolarHBondContact O-CG 3.29Å; K799-L803 PolarHBondContact O-N 2.99Å; K800-L803 PolarHBondContact O-N 3.1Å; K800-L803 VanDerWaalsContact O-N 3.12Å; L803-H805 VanDerWaalsContact C-N 3.32Å; L803-H805 PolarHBondContact O-N 3.21Å; L803-L806 PolarHBondContact O-N 3.07Å; L803-E807 WeakPolarHBondContact O-CG 3.41Å; L803-E807 PolarHBondContact O-N 3.04Å
804	E	81.7	Confident	78.5	Confident	59 Å²	59	51.3 Å²	51.3	28%	0.276	25%	0.251	S	S	.	.	H	α-helix	trans	-56.9	-46.1	174.6	-73.2	170.9	-179.6	0	0	111.4	R661 K800 N801 E807 E808	R661-E804 IonicContact NH2-OE2 3.88Å; K800-E804 WeakPolarHBondContact O-CG 3.35Å; K800-E804 PolarHBondContact O-N 3.29Å; N801-E804 PolarHBondContact ND2-OE2 3.46Å; E804-E807 PolarHBondContact O-N 2.03Å; E804-E808 WeakPolarHBondContact O-CG 3.47Å; E804-E808 PolarHBondContact O-N 2.92Å
805	H	82.7	Confident	75.9	Confident	16 Å²	16	53.1 Å²	53.1	7%	0.074	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-40.4	178.8	-175.1	70.1	0	0	0	112.7	T654 V659 N801 I802 L803 E807 E808 L809	T654-H805 PolarHBondContact OG1-NE2 3.24Å; V659-H805 HydrophobicContact CG1-CB 4.05Å; V659-H805 HydrophobicContact CG2-CB 4.18Å; V659-H805 VanDerWaalsContact CG2-CD2 3.46Å; V659-H805 WeakPolarHBondContact CG2-CD2 3.42Å; N801-H805 VanDerWaalsContact O-CB 3.31Å; N801-H805 WeakPolarHBondContact O-CB 3.27Å; N801-H805 PolarHBondContact O-N 3.22Å; I802-H805 PolarHBondContact O-N 2.63Å; L803-H805 VanDerWaalsContact C-N 3.32Å; L803-H805 PolarHBondContact O-N 3.21Å; H805-E807 VanDerWaalsContact C-N 3.31Å; H805-E807 PolarHBondContact O-N 3.06Å; H805-E808 PolarHBondContact O-N 3.36Å; H805-L809 WeakPolarHBondContact NE2-CD1 3.17Å; H805-L809 WeakPolarHBondContact O-CG 3.35Å; H805-L809 PolarHBondContact O-N 3.44Å
806	L	79.8	Confident	73.1	Confident	17 Å²	17	61.3 Å²	61.3	9%	0.089	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-40	174.3	-76	168.3	0	0	0	111.9	L644 F650 I802 L803 K810	L644-L806 HydrophobicContact CD1-CD1 3.67Å; F650-L806 HydrophobicContact CD2-CD2 3.66Å; F650-L806 HydrophobicContact CE2-CD2 3.46Å; F650-L806 VanDerWaalsContact CE2-CD2 3.46Å; F650-L806 HydrophobicContact CE2-CG 4.39Å; I802-L806 HydrophobicContact CG2-CD1 3.97Å; I802-L806 HydrophobicContact CG2-CG 4.47Å; I802-L806 WeakPolarHBondContact O-CB 3.05Å; I802-L806 VanDerWaalsContact O-CG 3.27Å; I802-L806 WeakPolarHBondContact O-CG 3.46Å; I802-L806 PolarHBondContact O-N 3.15Å; L803-L806 PolarHBondContact O-N 3.07Å; L806-K810 VanDerWaalsContact O-CG 3.31Å; L806-K810 WeakPolarHBondContact O-CG 3.49Å; L806-K810 PolarHBondContact O-N 3.45Å
807	E	76.7	Confident	70.1	Confident	68 Å²	68	63.7 Å²	63.7	32%	0.318	33%	0.332	S	S	.	.	H	α-helix	trans	-67.5	-41.7	175.4	-71.8	-176	169.6	0	0	112.1	Y87 L803 E804 H805 L809 K810 Q811	Y87-E807 PolarHBondContact OH-OE1 3.15Å; L803-E807 WeakPolarHBondContact O-CG 3.41Å; L803-E807 PolarHBondContact O-N 3.04Å; E804-E807 PolarHBondContact O-N 2.03Å; H805-E807 VanDerWaalsContact C-N 3.31Å; H805-E807 PolarHBondContact O-N 3.06Å; E807-L809 VanDerWaalsContact C-N 3.34Å; E807-L809 PolarHBondContact O-N 3.44Å; E807-K810 PolarHBondContact O-N 3.05Å; E807-Q811 WeakPolarHBondContact O-CG 3.45Å; E807-Q811 PolarHBondContact O-N 3.47Å; E807-Q811 VanDerWaalsContact O-N 3.11Å
808	E	77.6	Confident	67.2	Low	75 Å²	75	68.2 Å²	68.2	35%	0.35	37%	0.37	S	S	.	.	H	α-helix	trans	-58.3	-45.5	174.8	-73.8	178.1	169.2	0	0	111.1	R663 E804 H805 Q811 Q812	R663-E808 IonicContact CZ-OE2 3.85Å; R663-E808 IonicContact NH1-OE1 2.72Å; R663-E808 IonicContact NH1-OE2 2.86Å; R663-E808 IonicContact NH2-OE2 2.94Å; R663-E808 PolarHBondContact NH2-OE2 3.14Å; E804-E808 WeakPolarHBondContact O-CG 3.47Å; E804-E808 PolarHBondContact O-N 2.92Å; H805-E808 PolarHBondContact O-N 3.36Å; E808-Q811 PolarHBondContact O-N 3.11Å; E808-Q812 WeakPolarHBondContact O-CG 3.44Å; E808-Q812 PolarHBondContact O-N 2.94Å
809	L	75.6	Confident	64.2	Low	16 Å²	16	71.2 Å²	71.2	8%	0.084	39%	0.392	C	S	.	.	H	α-helix	trans	-66.3	-40.1	178.2	-73.1	170.3	0	0	0	113	F650 H652 T654 H805 E807 Q811 Q812 T813	F650-L809 HydrophobicContact CE2-CD1 4.31Å; F650-L809 HydrophobicContact CZ-CD1 4.07Å; H652-L809 HydrophobicContact CB-CD1 4.16Å; T654-L809 HydrophobicContact CG2-CD2 4.47Å; H805-L809 WeakPolarHBondContact NE2-CD1 3.17Å; H805-L809 WeakPolarHBondContact O-CG 3.35Å; H805-L809 PolarHBondContact O-N 3.44Å; E807-L809 VanDerWaalsContact C-N 3.34Å; E807-L809 PolarHBondContact O-N 3.44Å; L809-Q811 VanDerWaalsContact C-N 3.28Å; L809-Q811 PolarHBondContact O-N 2.78Å; L809-Q812 PolarHBondContact O-N 2.89Å; L809-T813 PolarHBondContact O-N 3.25Å; L809-T813 VanDerWaalsContact O-N 3.08Å; L809-T813 PolarHBondContact O-OG1 3.44Å
810	K	70.7	Confident	61.5	Low	66 Å²	66	81.4 Å²	81.4	29%	0.287	43%	0.43	S	S	.	.	H	α-helix	trans	-60.7	-39.9	175.9	-77.8	176.5	-177	-178	0	111.5	E648 L806 E807 Q812 T813 Q814	E648-K810 WeakPolarHBondContact OE1-CE 3.29Å; E648-K810 IonicContact OE1-NZ 2.84Å; E648-K810 PolarHBondContact OE1-NZ 3.04Å; E648-K810 IonicContact OE2-NZ 3.91Å; E648-K810 PolarHBondContact OE2-NZ 3.27Å; L806-K810 VanDerWaalsContact O-CG 3.31Å; L806-K810 WeakPolarHBondContact O-CG 3.49Å; L806-K810 PolarHBondContact O-N 3.45Å; E807-K810 PolarHBondContact O-N 3.05Å; K810-Q812 VanDerWaalsContact C-N 3.33Å; K810-Q812 PolarHBondContact O-N 3.42Å; K810-T813 PolarHBondContact O-N 2.93Å; K810-Q814 PolarHBondContact O-N 3.09Å
811	Q	64.3	Low	59.2	Low	148 Å²	148	89.4 Å²	89.4	69%	0.692	46%	0.461	S	S	*	.	H	α-helix	trans	-65.6	-34.6	176.6	-71.4	174.4	18.8	0	0	112.7	E807 E808 L809	E807-Q811 WeakPolarHBondContact O-CG 3.45Å; E807-Q811 PolarHBondContact O-N 3.47Å; E807-Q811 VanDerWaalsContact O-N 3.11Å; E808-Q811 PolarHBondContact O-N 3.11Å; L809-Q811 VanDerWaalsContact C-N 3.28Å; L809-Q811 PolarHBondContact O-N 2.78Å
812	Q	62.3	Low	56.3	Low	145 Å²	145	97.1 Å²	97.1	68%	0.678	49%	0.489	S	S	*	.	H	α-helix	trans	-76	-30.9	179.4	-70.9	175.8	-4.1	0	0	113.2	E808 L809 K810	E808-Q812 WeakPolarHBondContact O-CG 3.44Å; E808-Q812 PolarHBondContact O-N 2.94Å; L809-Q812 PolarHBondContact O-N 2.89Å; K810-Q812 VanDerWaalsContact C-N 3.33Å; K810-Q812 PolarHBondContact O-N 3.42Å
813	T	58.2	Low	53.4	Low	92 Å²	92	105.3 Å²	105.3	56%	0.564	53%	0.528	S	S	*	.	H	α-helix	trans	-85.8	-21.1	-173.6	-45.9	0	0	0	0	113.4	L809 K810 P815	L809-T813 PolarHBondContact O-N 3.25Å; L809-T813 VanDerWaalsContact O-N 3.08Å; L809-T813 PolarHBondContact O-OG1 3.44Å; K810-T813 PolarHBondContact O-N 2.93Å; T813-P815 VanDerWaalsContact O-CD 3.27Å; T813-P815 WeakPolarHBondContact O-CD 3.24Å
814	Q	44	Very low	50.7	Low	149 Å²	149	113.7 Å²	113.7	70%	0.696	56%	0.564	S	S	*	*			trans	-114.7	62.6	-178.3	-67.8	-175.4	-12.3	0	0	114.8	K810	K810-Q814 PolarHBondContact O-N 3.09Å
815	P	36.5	Very low	48	Very low	105 Å²	105	119 Å²	119	68%	0.682	59%	0.586	S	S	*	*			trans	-79.9	-12.1	172.7	28.3	-29.9	0	0	0	114.8	T813	T813-P815 VanDerWaalsContact O-CD 3.27Å; T813-P815 WeakPolarHBondContact O-CD 3.24Å
816	L	33	Very low	45.3	Very low	172 Å²	172	129 Å²	129	90%	0.901	62%	0.623	S	S	*	*	S	Bend	trans	-98.5	-4.3	-169.2	-77.4	164.7	0	0	0	116.9
817	A	31.1	Very low	42.7	Very low	71 Å²	71	137.6 Å²	137.6	59%	0.587	66%	0.655	S	S	*	*	S	Bend	trans	-91.7	112.7	165.9	0	0	0	0	0	107.6	S819	A817-S819 PolarHBondContact O-N 3.4Å
818	A	29.9	Very low	40.3	Very low	95 Å²	95	139.6 Å²	139.6	79%	0.785	67%	0.674	S	S	*	*			trans	-41.8	95	-176.3	0	0	0	0	0	112.7
819	S	26.1	Very low	38.1	Very low	101 Å²	101	140.8 Å²	140.8	71%	0.706	69%	0.691	S	S	*	*			trans	-101.6	100.7	-179.1	-176.7	0	0	0	0	107.4	A817 Y821	A817-S819 PolarHBondContact O-N 3.4Å; S819-Y821 PolarHBondContact O-N 3.09Å
820	W	26.4	Very low	36.1	Very low	235 Å²	235	144.3 Å²	144.3	89%	0.89	72%	0.717	S	S	*	*			trans	-58.4	121.3	174.1	-66.1	80.3	0	0	0	109.6
821	Y	31	Very low	34.4	Very low	214 Å²	214	146 Å²	146	84%	0.839	73%	0.726	S	S	*	*			trans	-51.6	135.7	-165.3	-84.1	-100.1	0	0	0	116.7	S819	S819-Y821 PolarHBondContact O-N 3.09Å
822	Y	26.3	Very low	33.2	Very low	183 Å²	183	140.3 Å²	140.3	72%	0.718	71%	0.707	S	S	*	*			trans	-93.9	114.8	153.3	-96.6	-94.5	0	0	0	109.5	K824	Y822-K824 PolarHBondContact O-N 3.14Å
823	H	25.2	Very low	31.9	Very low	174 Å²	174	140.1 Å²	140.1	81%	0.806	72%	0.718	S	S	*	*			trans	-78.2	115.4	165.7	-101.8	-66.9	0	0	0	110.3	K825	H823-K825 PolarHBondContact O-N 2.83Å
824	K	26.4	Very low	31	Very low	187 Å²	187	142.7 Å²	142.7	81%	0.813	73%	0.728	S	S	*	*			trans	-69.7	88.5	169.8	-163.5	173.3	-169.8	168.4	0	109.7	Y822 R826	Y822-K824 PolarHBondContact O-N 3.14Å; K824-R826 PolarHBondContact O-N 2.8Å
825	K	23.9	Very low	30.8	Very low	171 Å²	171	138.3 Å²	138.3	74%	0.743	72%	0.723	S	S	*	*			trans	-79.4	99.4	165.4	-96.2	-176.3	178.4	176.8	0	109.1	H823 Y827	H823-K825 PolarHBondContact O-N 2.83Å; K825-Y827 PolarHBondContact O-N 2.76Å
826	R	26.8	Very low	30.5	Very low	224 Å²	224	141.3 Å²	141.3	85%	0.845	73%	0.725	S	S	*	*			trans	-69.2	104.9	168.4	-162	-177.7	-80.3	-176.8	-4.8	107.4	K824	K824-R826 PolarHBondContact O-N 2.8Å
827	Y	25.5	Very low	30.5	Very low	198 Å²	198	138 Å²	138	78%	0.776	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-71.5	132.8	171.3	-72.5	-83.3	0	0	0	109	K825	K825-Y827 PolarHBondContact O-N 2.76Å
828	P	26	Very low	30.6	Very low	111 Å²	111	144.9 Å²	144.9	72%	0.721	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-68.9	154.9	171.9	26.9	-29.2	0	0	0	110.6
829	S	30.9	Very low	30.4	Very low	99 Å²	99	145.6 Å²	145.6	69%	0.692	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-52.3	144.4	-177.2	56.8	0	0	0	0	112.9	H831	S829-H831 PolarHBondContact O-N 3.34Å; S829-H831 VanDerWaalsContact O-N 3.1Å; S829-H831 PolarHBondContact OG-O 3.19Å
830	S	33.8	Very low	30.6	Very low	91 Å²	91	152.3 Å²	152.3	64%	0.636	73%	0.734	S	S	*	*	S	Bend	trans	-63.7	-11.5	175.6	52	0	0	0	0	114
831	H	33.8	Very low	30.5	Very low	102 Å²	102	147 Å²	147	47%	0.472	73%	0.727	S	S	.	*	B	Isolated β-bridge	trans	-115.9	125.9	179.7	-65.6	71.3	0	0	0	108.9	S829	S829-H831 PolarHBondContact O-N 3.34Å; S829-H831 VanDerWaalsContact O-N 3.1Å; S829-H831 PolarHBondContact OG-O 3.19Å
832	G	39	Very low	30.4	Very low	28 Å²	28	144.9 Å²	144.9	29%	0.289	72%	0.724	S	S	.	*			trans	-71.8	168.4	166.1	0	0	0	0	0	110.9	N834 G835	G832-N834 PolarHBondContact O-N 3.12Å; G832-G835 PolarHBondContact O-N 3.25Å
833	P	36.1	Very low	30.3	Very low	141 Å²	141	144.6 Å²	144.6	92%	0.916	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-8.4	-178.9	20.5	-31.2	0	0	0	115
834	N	39.8	Very low	30.2	Very low	146 Å²	146	143 Å²	143	78%	0.781	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	14.4	178.4	-62.7	-2.5	0	0	0	113.7	G832 K836	G832-N834 PolarHBondContact O-N 3.12Å; N834-K836 PolarHBondContact O-N 2.83Å; N834-K836 VanDerWaalsContact O-N 3.08Å
835	G	38.2	Very low	30	Very low	56 Å²	56	142.3 Å²	142.3	58%	0.577	73%	0.731	S	S	*	*	S	Bend	trans	68.4	8.2	172.3	0	0	0	0	0	116.5	G832	G832-G835 PolarHBondContact O-N 3.25Å
836	K	30.6	Very low	30	Very low	168 Å²	168	142 Å²	142	73%	0.73	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-98.3	138.7	174.9	-68	-173.4	-179.1	-178.6	0	111.9	N834	N834-K836 PolarHBondContact O-N 2.83Å; N834-K836 VanDerWaalsContact O-N 3.08Å
837	P	34.2	Very low	29.8	Very low	103 Å²	103	138.4 Å²	138.4	67%	0.669	73%	0.732	S	S	*	*	B	Isolated β-bridge	trans	-68.7	134.6	174.8	26.7	-31.9	0	0	0	110.8
838	R	32.9	Very low	29.8	Very low	216 Å²	216	140.6 Å²	140.6	82%	0.815	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-71.5	133.7	173.2	-88.6	-179	167.1	173.8	-3.8	110.4
839	S	26	Very low	29.7	Very low	109 Å²	109	140.8 Å²	140.8	76%	0.762	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-70.1	135	176	57.4	0	0	0	0	111.5	V841	S839-V841 PolarHBondContact O-N 3.4Å
840	R	28.9	Very low	29.4	Very low	243 Å²	243	145 Å²	145	92%	0.917	75%	0.75	S	S	*	*			trans	-80.3	111.2	173.9	-75.2	-177.3	178.8	-179.2	-0	109.2
841	V	26.1	Very low	28.9	Very low	122 Å²	122	147.9 Å²	147.9	74%	0.739	75%	0.753	S	S	*	*			trans	-98.6	121.5	167	178.7	0	0	0	0	108.5	S839	S839-V841 PolarHBondContact O-N 3.4Å
842	H	28.1	Very low	28.5	Very low	171 Å²	171	149.8 Å²	149.8	79%	0.792	77%	0.767	S	S	*	*			trans	-77	115.9	171.6	-88.9	-89.6	0	0	0	110
843	H	23.1	Very low	27.8	Very low	177 Å²	177	151.6 Å²	151.6	82%	0.819	79%	0.785	S	S	*	*			trans	-155.2	110.9	149.6	-89.3	-62.2	0	0	0	109
844	V	23.9	Very low	27.2	Very low	139 Å²	139	157.7 Å²	157.7	84%	0.842	79%	0.79	S	S	*	*			trans	-98.3	102.5	165.2	176	0	0	0	0	106.2
845	Q	21.4	Very low	26.5	Very low	174 Å²	174	154.6 Å²	154.6	81%	0.813	79%	0.793	S	S	*	*			trans	-94.5	119.3	166.1	-116.4	174.6	-15.4	0	0	107.9	I847	Q845-I847 PolarHBondContact O-N 3.36Å
846	L	24.6	Very low	25.7	Very low	165 Å²	165	156 Å²	156	86%	0.864	81%	0.808	S	S	*	*			trans	-62.2	126.3	165.4	-96.6	106.6	0	0	0	108.9
847	I	22.9	Very low	25.3	Very low	147 Å²	147	152.2 Å²	152.2	75%	0.754	82%	0.816	S	S	*	*			trans	-115	109.3	161.3	-64.6	176.9	0	0	0	108.1	Q845	Q845-I847 PolarHBondContact O-N 3.36Å
848	R	25.1	Very low	24.7	Very low	244 Å²	244	150.8 Å²	150.8	92%	0.921	82%	0.819	S	S	*	*			trans	-83.2	131.1	158.8	-132.5	179.6	-175.2	178.3	-0.1	105.9
849	S	23.8	Very low	24.2	Very low	115 Å²	115	146.3 Å²	146.3	80%	0.804	82%	0.82	S	S	*	*			trans	-147.5	132.3	155.7	53.4	0	0	0	0	110.5
850	F	23.9	Very low	24	Very low	189 Å²	189	145.8 Å²	145.8	83%	0.829	82%	0.816	S	S	*	*			trans	-124.9	144.1	179	-147.4	-92.2	0	0	0	104.2
851	Q	25	Very low	23.8	Very low	150 Å²	150	141.8 Å²	141.8	70%	0.701	81%	0.808	S	S	*	*			trans	70.1	142.9	166.6	-85.5	175	-81.2	0	0	117.9
852	D	25.8	Very low	23.6	Very low	143 Å²	143	143.2 Å²	143.2	77%	0.765	81%	0.807	S	S	*	*			cis	-154.5	163.5	19.1	-85	-47.9	0	0	0	110.2
853	G	23.4	Very low	23.4	Very low	65 Å²	65	142.7 Å²	142.7	67%	0.67	81%	0.805	S	S	*	*			trans	128.7	91.6	136.3	0	0	0	0	0	120.5
854	W	23.6	Very low	23.4	Very low	269 Å²	269	142.8 Å²	142.8	100%	1.019	81%	0.805	S	S	*	*			trans	79.5	122.9	133.1	-80.1	32.3	0	0	0	122.1
855	G	24	Very low	23.5	Very low	82 Å²	82	145 Å²	145	85%	0.845	81%	0.806	S	S	*	*			trans	146.9	78.8	155	0	0	0	0	0	113.5
856	G	22.2	Very low	23.6	Very low	86 Å²	86	146.3 Å²	146.3	89%	0.887	81%	0.813	S	S	*	*			trans	-88.7	164.8	179.9	0	0	0	0	0	115.2
857	G	23	Very low	23.5	Very low	88 Å²	88	146.8 Å²	146.8	91%	0.907	81%	0.81	S	S	*	*			trans	116.4	118.6	167.6	0	0	0	0	0	111.7
858	G	21.9	Very low	23.5	Very low	72 Å²	72	148.3 Å²	148.3	74%	0.742	81%	0.814	S	S	*	*			cis	172.1	168.4	1.1	0	0	0	0	0	108.3
859	C	22.5	Very low	23.4	Very low	123 Å²	123	145.4 Å²	145.4	83%	0.831	81%	0.811	S	S	*	*			trans	83.6	108.8	168.9	-55.7	0	0	0	0	119.8
860	S	20.6	Very low	23.4	Very low	97 Å²	97	146.1 Å²	146.1	68%	0.678	81%	0.81	S	S	*	*				3.5	157.6	115.3	51.9	0	0	0	0	117.7
861	E	24.4	Very low	23.4	Very low	160 Å²	160	143 Å²	143	75%	0.748	81%	0.81	S	S	*	*			cis	-172.9	163.6	2	-115.1	165.9	164	0	0	103.7
862	E	22.3	Very low	23.4	Very low	151 Å²	151	143 Å²	143	71%	0.706	82%	0.815	S	S	*	*			trans	68	132.3	146.3	-71.7	173	173.6	0	0	122.8
863	E	24	Very low	23.6	Very low	161 Å²	161	143.6 Å²	143.6	75%	0.752	82%	0.817	S	S	*	*			trans	65.3	140.9	143.6	-66.3	175.4	170.3	0	0	116.5
864	E	23.8	Very low	23.6	Very low	179 Å²	179	148.6 Å²	148.6	84%	0.836	83%	0.829	S	S	*	*			cis	-168.1	157.7	40.3	-136.4	162.2	-164.6	0	0	108.5
865	E	24.4	Very low	23.8	Very low	184 Å²	184	139 Å²	139	86%	0.86	81%	0.813	S	S	*	*			trans	-64.1	143	166.1	-66.2	174	145.8	0	0	110.4
866	E	23.7	Very low	24	Very low	202 Å²	202	139.9 Å²	139.9	94%	0.944	81%	0.806	S	S	*	*			trans	-156.6	139.5	146.3	-117	177.4	-166	0	0	112.3
867	E	22.5	Very low	24.5	Very low	175 Å²	175	143.2 Å²	143.2	82%	0.818	80%	0.804	S	S	*	*			trans	-73.9	162.2	-179.2	-71.7	178.3	138.1	0	0	113.2
868	E	24.5	Very low	25	Very low	179 Å²	179	150.4 Å²	150.4	84%	0.836	82%	0.82	S	S	*	*			trans	49.9	122.6	151.7	-71.1	-171.9	157.6	0	0	120.6
869	E	22.7	Very low	25.2	Very low	183 Å²	183	154.4 Å²	154.4	86%	0.855	82%	0.824	S	S	*	*				-168.6	132.3	107.3	-109.4	-174.9	168.1	0	0	113.2
870	V	23.7	Very low	25.3	Very low	130 Å²	130	156 Å²	156	79%	0.788	82%	0.824	S	S	*	*			trans	-69.8	124.7	161.3	170.4	0	0	0	0	108.1
871	C	22.6	Very low	25.6	Very low	123 Å²	123	159.3 Å²	159.3	83%	0.831	83%	0.832	S	S	*	*			trans	-131	120.2	159.8	-106.8	0	0	0	0	111.5
872	L	25	Very low	25.6	Very low	152 Å²	152	159.2 Å²	159.2	80%	0.796	84%	0.837	S	S	*	*			trans	-68.7	137.3	171.4	-79.5	156.9	0	0	0	111
873	L	31	Very low	25.8	Very low	154 Å²	154	159.8 Å²	159.8	81%	0.806	85%	0.845	S	S	*	*			trans	11.2	124.4	149.2	-68.5	159.8	0	0	0	118.1
874	N	24.1	Very low	26	Very low	171 Å²	171	159.7 Å²	159.7	91%	0.914	85%	0.851	S	S	*	*			trans	-139.1	123.1	135.9	-110.6	-18.1	0	0	0	110.1
875	G	27.6	Very low	26.1	Very low	67 Å²	67	158.3 Å²	158.3	69%	0.691	85%	0.852	S	S	*	*			trans	-83.3	141.4	169.3	0	0	0	0	0	110.8
876	S	26.8	Very low	26.3	Very low	101 Å²	101	156.3 Å²	156.3	71%	0.706	85%	0.852	S	S	*	*			trans	178.8	126.8	145	47.4	0	0	0	0	110
877	N	33.3	Very low	26.5	Very low	156 Å²	156	152.5 Å²	152.5	83%	0.834	84%	0.844	S	S	*	*			trans	72.7	122.1	164.5	-48.7	-29.3	0	0	0	114.3
878	L	33.9	Very low	26.8	Very low	239 Å²	239	150.5 Å²	150.5	100%	1.251	85%	0.846	S	S	*	*			cis	-161.9	0	33.2	-143.4	137.7	0	0	0	109

Retrieved 878 of 878 residues in 1351.6 ms (Link to these results)

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