A0A087XZV7_POEFO Loading...

Anion exchange protein

Electrogenic sodium/bicarbonate cotransporter with a Na(+):HCO3(-) stoichiometry varying from 1:2 to 1:3. May regulate bicarbonate influx/efflux at the basolateral membrane of cells and regulate intracellular pH.

AlphaFold DB , UniProt , Accession A0A087XZV7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,068 aa.

						>A0A087XZV7_POEFO|A0A087XZV7
MEDEAVLDRGASFVKHICDEEEVEGHHTVYIGVHVPKSYHRRRRHRRKSNHKEKRERVEQIVGAYKSDAENVDDSCTSILKPLISPAERIRFILGEEDDGPPPPQLFTELDELLSVDGQELEWKETARWIKFEEKVEKGGERWSKPHVATLSLHSLMELKAYIEKGTILLDMEASTLPQVVEMITDSQIETGQLKADLKEKVVYTLLRKHRHQTKKSNLRSLADIGKSVSSASRLFSNQENGSPTTTHRNLTSNSLSDFSDKPEKDQLKNKFMKKLPRDAEASNVLVGEVDFLETPFVAFVRLQQAVMLGALTEVPVPTRFMFVLLGPKGKSKSYREIGRAIATLMSDESKVFHDIAYKAKGRKDLLAGIDEFLDEVIVLPPGEWDPDIRIEPPKSLPSSDKRKNMYAGGEAPQMNGDTPHDTGHGGGGGGGGHQVGEELQCTKKFCGGLILDVKRKLPFFASDFYDALHIQSLSAILFIYLGTVTNAITFGGLLGDATDNMQGVLESFLGTALSGAVFCLLAGQPLTILSSTGPVLVFERLLFNFSKSALRDNGFDYLEFRLWIGLWSGLFCLVLVATDASFLVQYFTRFTEEGFSALISFIFIYDAFKKMIKLAHHNPINSEFDHNLITQYDCRCVAGFVPQPGTGLLGNSSTLLDTSAWTNRTDLQENATWASLTQHQCKEFGGLLVGKACDYVPDITLMSFILFLGTYTCSMALKKFKTSRFFPTTVRKLISDFAIILTILLFCGIDALVGVDTPKLIVPSEFKPTSPARGWFIPPFGGNPWWVYLAAALPALLVTILIFMDQQITAVIVNRKEHKLKKGAGYHLDLFWVAVLMILCSFMGLPWYVAATVISIAHIDSLKMETQTSAPGEQPKFLGVREQRVTGIFVFLLTGLSVFMAPILKFIPMPVLYGVFLYMGVASLNGVQFMDRLQLLLMPAKHQPDLIYLRHVPQRRIHLFTFIQVLCLALLWILKSTVAAIIFPVMILALVAVRKAMDYVFSQHDLSYLDDVIPSIDSEIDYSDYPFHENIPSIKISMEMMEQEPMLGDKSLDRDSPQTFLNPHSPC
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	26.1	Very low	205 Å²	205	143.9 Å²	143.9	100%	1.01	80%	0.8	S	S	*	*				0	64.1	0	-68.3	178.9	175.5	0	0	107.8
2	E	24.7	Very low	25.8	Very low	145 Å²	145	141.3 Å²	141.3	68%	0.678	80%	0.799	S	S	*	*				83.3	133	64.5	-67.1	138.9	-130.8	0	0	109.6
3	D	27.1	Very low	25.8	Very low	134 Å²	134	146.8 Å²	146.8	72%	0.717	81%	0.809	S	S	*	*			cis	-158.9	167.2	-7.3	-102.7	-22.8	0	0	0	110.9
4	E	27.9	Very low	25.6	Very low	175 Å²	175	146.5 Å²	146.5	82%	0.818	81%	0.813	S	S	*	*			trans	28.5	120.7	150.1	-56.7	-174.3	142.8	0	0	120.1
5	A	25.8	Very low	25.4	Very low	95 Å²	95	149.7 Å²	149.7	79%	0.785	82%	0.815	S	S	*	*				69.4	127.1	61.4	0	0	0	0	0	115.7
6	V	27	Very low	25.5	Very low	143 Å²	143	151.9 Å²	151.9	87%	0.867	82%	0.818	S	S	*	*			trans	-176.3	153.3	139.2	143.6	0	0	0	0	112.2
7	L	26	Very low	25.3	Very low	146 Å²	146	153 Å²	153	76%	0.764	82%	0.821	S	S	*	*			trans	-59.2	136	-162.3	-73.2	88.7	0	0	0	121
8	D	25.2	Very low	25.4	Very low	134 Å²	134	150.1 Å²	150.1	72%	0.717	81%	0.813	S	S	*	*				44.5	119.4	110	-165.5	29.6	0	0	0	121.7
9	R	25.2	Very low	25.3	Very low	236 Å²	236	151.3 Å²	151.3	89%	0.891	82%	0.819	S	S	*	*				178.8	129.5	122.9	-100.5	173	-178.4	-172.4	1.5	115.2
10	G	22.8	Very low	25.2	Very low	71 Å²	71	152.5 Å²	152.5	73%	0.732	82%	0.819	S	S	*	*				77.8	87.1	127.4	0	0	0	0	0	121.7
11	A	25.3	Very low	25.2	Very low	99 Å²	99	154.4 Å²	154.4	82%	0.818	82%	0.823	S	S	*	*			trans	38.7	117	138.2	0	0	0	0	0	122
12	S	23	Very low	25	Very low	113 Å²	113	153.7 Å²	153.7	79%	0.79	82%	0.817	S	S	*	*				178.1	143.5	109.6	43.4	0	0	0	0	114.8
13	F	26	Very low	25.1	Very low	212 Å²	212	153.6 Å²	153.6	93%	0.93	83%	0.826	S	S	*	*			trans	13.6	113.9	159.3	-75.7	-94.5	0	0	0	121.4
14	V	22.6	Very low	25.1	Very low	143 Å²	143	155.5 Å²	155.5	87%	0.867	83%	0.831	S	S	*	*			trans	-142.6	147.6	145.3	-173.1	0	0	0	0	112.4
15	K	22	Very low	24.9	Very low	195 Å²	195	150.3 Å²	150.3	85%	0.848	82%	0.824	S	S	*	*			trans	-47.6	167.7	166	-96	169.1	166.3	175.9	0	116.7
16	H	27	Very low	24.8	Very low	184 Å²	184	155.1 Å²	155.1	85%	0.852	83%	0.83	S	S	*	*			trans	-30.5	137.9	158.7	-84.2	-95.4	0	0	0	116.4
17	I	23	Very low	24.7	Very low	171 Å²	171	155.7 Å²	155.7	88%	0.877	82%	0.823	S	S	*	*			trans	-157.1	160.7	130.6	-104.6	158.4	0	0	0	108.9
18	C	27.3	Very low	24.7	Very low	100 Å²	100	155 Å²	155	68%	0.676	83%	0.825	S	S	*	*			trans	-74.9	173.4	-170.4	-48.8	0	0	0	0	114.2
19	D	22.3	Very low	24.7	Very low	173 Å²	173	153.7 Å²	153.7	93%	0.925	82%	0.821	S	S	*	*				-137.5	135.9	124.2	-91.9	-36.7	0	0	0	109.2
20	E	24.4	Very low	24.6	Very low	176 Å²	176	153.1 Å²	153.1	82%	0.822	82%	0.821	S	S	*	*			trans	-105.2	129.7	172.3	-66	177.1	134.4	0	0	108.1
21	E	24.2	Very low	24.9	Very low	193 Å²	193	156.9 Å²	156.9	90%	0.902	82%	0.822	S	S	*	*			trans	-154.7	151.4	151.7	-120.5	172.5	-165	0	0	110.2
22	E	26	Very low	24.8	Very low	189 Å²	189	155.7 Å²	155.7	88%	0.883	82%	0.82	S	S	*	*	S	Bend	trans	70.5	48.2	177.9	-54.4	-160.5	151.1	0	0	119.3
23	V	27.8	Very low	24.9	Very low	144 Å²	144	157.1 Å²	157.1	87%	0.873	82%	0.823	S	S	*	*			trans	-137	90.6	144.9	-173.7	0	0	0	0	111.3
24	E	26.9	Very low	24.7	Very low	174 Å²	174	155.3 Å²	155.3	81%	0.813	82%	0.818	S	S	*	*			trans	-160.7	145.6	148.7	-111.9	-178	177.8	0	0	110.3
25	G	22.5	Very low	24.9	Very low	65 Å²	65	154.9 Å²	154.9	67%	0.67	82%	0.815	S	S	*	*			cis	-172.8	175.1	1	0	0	0	0	0	116.1
26	H	24.6	Very low	25.4	Very low	197 Å²	197	150.5 Å²	150.5	91%	0.912	81%	0.807	S	S	*	*			trans	-120.8	106.8	156.3	-90.2	-84.7	0	0	0	107.4
27	H	24.4	Very low	25.7	Very low	155 Å²	155	151.6 Å²	151.6	72%	0.718	81%	0.809	S	S	*	*			trans	-80.8	125.2	171.9	-85.3	-49.2	0	0	0	111.3
28	T	26.3	Very low	25.7	Very low	131 Å²	131	149.2 Å²	149.2	80%	0.804	81%	0.807	S	S	*	*			trans	-136.7	121.8	137.3	45.3	0	0	0	0	108.8
29	V	24.1	Very low	25.8	Very low	107 Å²	107	155.3 Å²	155.3	65%	0.648	82%	0.818	S	S	*	*			trans	-88.3	134.2	-173	174.7	0	0	0	0	110.5	I31	V29-I31 HydrophobicContact CG1-CG1 3.93Å
30	Y	24	Very low	25.9	Very low	223 Å²	223	156.1 Å²	156.1	88%	0.875	82%	0.816	S	S	*	*			trans	-114.9	115.5	158.7	-83.9	-84.3	0	0	0	109.9
31	I	28.1	Very low	26.1	Very low	150 Å²	150	159.1 Å²	159.1	77%	0.769	82%	0.819	S	S	*	*			trans	-80.1	118.2	175	-64.8	173.7	0	0	0	108.5	V29	V29-I31 HydrophobicContact CG1-CG1 3.93Å
32	G	23.6	Very low	26.3	Very low	74 Å²	74	161.9 Å²	161.9	76%	0.763	82%	0.821	S	S	*	*			trans	-84.3	134.6	171.3	0	0	0	0	0	112.1
33	V	25.1	Very low	26.4	Very low	143 Å²	143	163.7 Å²	163.7	87%	0.867	82%	0.82	S	S	*	*			trans	-128.8	128	160.9	-176.9	0	0	0	0	107.6
34	H	23.5	Very low	26.4	Very low	175 Å²	175	168.6 Å²	168.6	81%	0.81	82%	0.823	S	S	*	*			trans	-119.5	120.3	-168.4	-168.3	-20.6	0	0	0	109.9
35	V	25.8	Very low	26.5	Very low	134 Å²	134	169 Å²	169	81%	0.812	83%	0.825	S	S	*	*			trans	-165.6	174.9	140.9	-130.9	0	0	0	0	109.5
36	P	31.8	Very low	26.7	Very low	103 Å²	103	177.2 Å²	177.2	67%	0.669	84%	0.835	S	S	*	*				-124.6	174.3	-109.8	43.6	-27.4	0	0	0	117.1
37	K	34.3	Very low	26.9	Very low	207 Å²	207	179.7 Å²	179.7	90%	0.9	84%	0.837	S	S	*	*			trans	27.3	114.7	152.4	-67.7	-178.5	178.7	177.3	0	118.7
38	S	22.9	Very low	27.1	Very low	121 Å²	121	181.7 Å²	181.7	85%	0.846	84%	0.843	S	S	*	*			trans	-139.9	136.5	142.2	66.4	0	0	0	0	112.6
39	Y	28.6	Very low	27	Very low	228 Å²	228	180.8 Å²	180.8	89%	0.894	84%	0.842	S	S	*	*			trans	-71.4	132.2	169.1	-100.3	-111.2	0	0	0	109.2
40	H	25.7	Very low	27	Very low	190 Å²	190	183.5 Å²	183.5	88%	0.88	85%	0.853	S	S	*	*			trans	-148.8	130.9	150.2	-106.5	18.2	0	0	0	115.8
41	R	27.1	Very low	27.3	Very low	238 Å²	238	181.5 Å²	181.5	90%	0.898	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-49.4	132.7	177.1	-66	162.8	163.1	166.2	-7.2	113.1
42	R	29.4	Very low	27.3	Very low	251 Å²	251	183.9 Å²	183.9	95%	0.947	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-84.7	130.9	150.3	-77.1	-173.2	175.5	179.6	-0.3	109.9
43	R	28.3	Very low	27.4	Very low	227 Å²	227	188.9 Å²	188.9	86%	0.857	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-76	136.2	-175.6	-75.3	174.1	167.5	162.2	-4.7	111	H45	R43-H45 PolarHBondContact O-N 3.09Å
44	R	27.6	Very low	27.5	Very low	248 Å²	248	191.9 Å²	191.9	94%	0.936	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-63.7	117.9	163.6	-72.6	177.9	171.9	173.3	-4.2	109.6
45	H	29	Very low	27.6	Very low	182 Å²	182	194 Å²	194	84%	0.843	86%	0.862	S	S	*	*			trans	-86.1	110.9	161.7	-93.1	-83	0	0	0	110	R43 R47	R43-H45 PolarHBondContact O-N 3.09Å; H45-R47 PolarHBondContact O-N 2.91Å
46	R	27.2	Very low	27.7	Very low	238 Å²	238	196.7 Å²	196.7	90%	0.898	87%	0.866	S	S	*	*			trans	-83	103.7	-178.1	-169.1	-177.5	-166.9	177.4	3.9	109
47	R	29	Very low	27.4	Very low	249 Å²	249	201.6 Å²	201.6	94%	0.94	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-89.6	127.5	163	-85.4	-172.6	171.4	178.7	-1.4	109.3	H45	H45-R47 PolarHBondContact O-N 2.91Å
48	K	27	Very low	27.1	Very low	196 Å²	196	199 Å²	199	85%	0.852	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-72	137.6	175.8	-68	174.7	173.5	178.8	0	109
49	S	24.9	Very low	27.3	Very low	112 Å²	112	200.8 Å²	200.8	78%	0.783	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-76.1	145.1	153.3	52.3	0	0	0	0	109.2
50	N	24.8	Very low	27.3	Very low	165 Å²	165	199.6 Å²	199.6	88%	0.882	87%	0.87	S	S	*	*			trans	-159	136.5	152.5	-112.6	-2.5	0	0	0	109
51	H	29	Very low	27.3	Very low	180 Å²	180	198.2 Å²	198.2	83%	0.833	87%	0.867	S	S	*	*			trans	-54.2	144.3	179.4	-89.8	-101.5	0	0	0	113.4
52	K	27.7	Very low	27.4	Very low	200 Å²	200	193.6 Å²	193.6	87%	0.87	87%	0.865	S	S	*	*				-159.4	144.2	115.6	-114.3	175.4	-179.7	-178.4	0	112.5
53	E	27.4	Very low	27.3	Very low	179 Å²	179	184.6 Å²	184.6	84%	0.836	85%	0.851	S	S	*	*			trans	-67.2	149	179	-56.1	152.9	111.1	0	0	111.5
54	K	27.4	Very low	27.2	Very low	206 Å²	206	178 Å²	178	90%	0.896	84%	0.844	S	S	*	*			trans	-143.8	137	140.2	-144.5	180	-178.6	-168.3	0	110.9
55	R	24.9	Very low	27.3	Very low	220 Å²	220	177.6 Å²	177.6	83%	0.83	84%	0.844	S	S	*	*			trans	-103.6	129.7	-169.9	170	-171.5	-174.1	177.6	4.2	108.7
56	E	27.7	Very low	27.2	Very low	190 Å²	190	177.8 Å²	177.8	89%	0.888	84%	0.843	S	S	*	*			trans	-119.7	148.2	163	-71.7	-166.9	155.2	0	0	110.5
57	R	26.2	Very low	27.2	Very low	207 Å²	207	171.6 Å²	171.6	78%	0.781	84%	0.836	S	S	*	*			trans	-96.4	142	-178	-62.1	172.9	-179.5	158.1	-2.1	109
58	V	27.9	Very low	27	Very low	151 Å²	151	166.7 Å²	166.7	92%	0.915	83%	0.828	S	S	*	*			trans	-130.6	145	133	-180	0	0	0	0	107.2
59	E	26.2	Very low	27.2	Very low	160 Å²	160	162.6 Å²	162.6	75%	0.748	83%	0.831	S	S	*	*			trans	-90.6	141.2	-168.3	-61.2	164.2	142.8	0	0	111.3
60	Q	28	Very low	27.4	Very low	203 Å²	203	165.3 Å²	165.3	95%	0.949	83%	0.831	S	S	*	*			trans	-147	132.6	148.8	-114.6	171.6	11.9	0	0	110.4
61	I	26.9	Very low	27.5	Very low	160 Å²	160	163.8 Å²	163.8	82%	0.821	82%	0.823	S	S	*	*			trans	-98.2	128.4	-174.2	-66.1	163.5	0	0	0	108.4
62	V	29.2	Very low	27.6	Very low	141 Å²	141	161.4 Å²	161.4	86%	0.855	82%	0.821	S	S	*	*			trans	-163.9	142.8	132.5	163.8	0	0	0	0	107.7
63	G	27.5	Very low	27.7	Very low	63 Å²	63	158.7 Å²	158.7	65%	0.649	82%	0.816	S	S	*	*			trans	-66.4	145.2	-177.6	0	0	0	0	0	114.2
64	A	26	Very low	27.8	Very low	87 Å²	87	157.2 Å²	157.2	72%	0.719	81%	0.814	S	S	*	*				86.2	106.7	80.4	0	0	0	0	0	113.2
65	Y	28.9	Very low	28	Very low	240 Å²	240	152.4 Å²	152.4	94%	0.941	81%	0.806	S	S	*	*				-170.4	161	104	-99.6	-75.8	0	0	0	110.5
66	K	27.7	Very low	28	Very low	187 Å²	187	147.3 Å²	147.3	81%	0.813	80%	0.803	S	S	*	*			trans	-94.1	150	-172.6	-63.9	174.5	169.3	-173.3	0	113.3
67	S	26.8	Very low	28.3	Very low	107 Å²	107	145.9 Å²	145.9	75%	0.748	81%	0.807	S	S	*	*				176.7	117.8	127.5	50.8	0	0	0	0	107.9
68	D	25.4	Very low	28.7	Very low	147 Å²	147	139.8 Å²	139.8	79%	0.786	80%	0.796	S	S	*	*				57.9	98	73.2	-64.4	-33.4	0	0	0	113.3
69	A	31.3	Very low	29.3	Very low	109 Å²	109	140 Å²	140	90%	0.901	79%	0.791	S	S	*	*			trans	-175.1	146.7	137.9	0	0	0	0	0	111
70	E	27.9	Very low	29.5	Very low	170 Å²	170	140.2 Å²	140.2	79%	0.794	80%	0.796	S	S	*	*			trans	-96.3	174.1	-174.3	-54.4	171.5	138.5	0	0	113.3
71	N	28.2	Very low	29.8	Very low	132 Å²	132	140.1 Å²	140.1	71%	0.706	79%	0.793	S	S	*	*			trans	98.9	127.2	135.5	-75.2	-34.6	0	0	0	122.7
72	V	31.2	Very low	30.4	Very low	130 Å²	130	137.6 Å²	137.6	79%	0.788	79%	0.786	S	S	*	*			trans	92.8	132.9	145.5	173.4	0	0	0	0	119.3
73	D	29.8	Very low	31.2	Very low	144 Å²	144	139.4 Å²	139.4	77%	0.77	79%	0.791	S	S	*	*			trans	-61.2	144.8	178.2	-48.4	-77.4	0	0	0	112.7
74	D	28	Very low	32.6	Very low	148 Å²	148	141.5 Å²	141.5	79%	0.791	79%	0.786	S	S	*	*				175.3	157.6	85.7	-134.1	-31.7	0	0	0	112.2
75	S	33.1	Very low	34.4	Very low	104 Å²	104	139.5 Å²	139.5	73%	0.727	77%	0.766	S	S	*	*			trans	54.1	85.7	162.2	66.6	0	0	0	0	120.3
76	C	24.7	Very low	36	Very low	114 Å²	114	131.1 Å²	131.1	77%	0.77	74%	0.741	S	S	*	*			trans	-150	75.4	152	-104.5	0	0	0	0	113.4	S78	C76-S78 PolarHBondContact O-N 2.65Å; C76-S78 VanDerWaalsContact O-N 3.09Å
77	T	34	Very low	37.6	Very low	160 Å²	160	123.9 Å²	123.9	98%	0.982	72%	0.717	S	S	*	*			trans	-81.3	47.3	165	38.4	0	0	0	0	112.2
78	S	34.7	Very low	39.4	Very low	79 Å²	79	123.8 Å²	123.8	55%	0.552	70%	0.704	S	S	*	*	S	Bend	trans	-154.6	153.2	163.4	78.5	0	0	0	0	109.4	C76	C76-S78 PolarHBondContact O-N 2.65Å; C76-S78 VanDerWaalsContact O-N 3.09Å
79	I	40.7	Very low	41.4	Very low	156 Å²	156	121 Å²	121	80%	0.8	68%	0.683	S	S	*	*	S	Bend	trans	71.9	80.2	-178.9	-44.2	164.6	0	0	0	113.9
80	L	30.2	Very low	43.3	Very low	164 Å²	164	115.9 Å²	115.9	86%	0.859	64%	0.64	S	S	*	*			trans	-179.1	83.5	133.8	-98.1	159.4	0	0	0	110.1
81	K	33.9	Very low	45	Very low	201 Å²	201	113.1 Å²	113.1	87%	0.874	62%	0.622	S	S	*	*			trans	-95.7	118.2	153.5	-79.8	-174	176.1	179.6	0	106.9
82	P	40	Very low	46.8	Very low	106 Å²	106	113.6 Å²	113.6	69%	0.688	62%	0.618	S	S	*	*			trans	-57.9	147.2	163.3	-18.6	31.6	0	0	0	109.2	I84	P82-I84 VanDerWaalsContact C-N 3.34Å; P82-I84 PolarHBondContact O-N 3.46Å
83	L	44.8	Very low	48.7	Very low	180 Å²	180	108.2 Å²	108.2	94%	0.942	59%	0.585	S	S	*	*			trans	-69.8	94.4	170.1	-74.2	110.5	0	0	0	108.9	S85	L83-S85 PolarHBondContact O-N 2.94Å
84	I	57	Low	50.4	Low	107 Å²	107	103.7 Å²	103.7	55%	0.549	56%	0.56	S	S	.	*			trans	-61.7	129.2	166.4	-58.2	172.4	0	0	0	107.4	P82 E88 R89	P82-I84 VanDerWaalsContact C-N 3.34Å; P82-I84 PolarHBondContact O-N 3.46Å; I84-E88 HydrophobicContact CG2-CB 3.54Å; I84-R89 HydrophobicContact CG2-CB 4.47Å
85	S	64.9	Low	51.8	Low	44 Å²	44	99.1 Å²	99.1	31%	0.308	55%	0.549	S	S	.	.			trans	-65.2	154.9	178.6	62.9	0	0	0	0	111.8	L83 A87 E88 R89	L83-S85 PolarHBondContact O-N 2.94Å; S85-A87 VanDerWaalsContact C-N 3.28Å; S85-A87 PolarHBondContact O-N 3.01Å; S85-E88 WeakPolarHBondContact CB-OE2 3.36Å; S85-E88 PolarHBondContact N-OE2 3.26Å; S85-E88 PolarHBondContact O-N 3.48Å; S85-E88 WeakPolarHBondContact OG-CB 3.42Å; S85-E88 WeakPolarHBondContact OG-CG 3.38Å; S85-E88 PolarHBondContact OG-N 3.16Å; S85-E88 PolarHBondContact OG-OE2 2.9Å; S85-R89 PolarHBondContact O-N 3.33Å
86	P	62.2	Low	52.8	Low	65 Å²	65	98.4 Å²	98.4	42%	0.422	53%	0.534	S	S	.	.	H	α-helix	trans	-53.5	-45.1	176.2	-26.8	35.7	0	0	0	112.4	E88 R89 I90 A368	P86-E88 PolarHBondContact O-N 3.45Å; P86-R89 WeakPolarHBondContact O-CB 3.33Å; P86-R89 PolarHBondContact O-N 2.87Å; P86-I90 WeakPolarHBondContact O-CG1 3.17Å; P86-I90 PolarHBondContact O-N 2.63Å; P86-A368 HydrophobicContact CB-CB 4.31Å
87	A	61.5	Low	53.7	Low	35 Å²	35	102.7 Å²	102.7	29%	0.289	54%	0.543	S	S	.	.	H	α-helix	trans	-59.8	-43.9	176.5	0	0	0	0	0	113	S85 R89 I90 R91	S85-A87 VanDerWaalsContact C-N 3.28Å; S85-A87 PolarHBondContact O-N 3.01Å; A87-R89 PolarHBondContact O-N 3.35Å; A87-I90 PolarHBondContact O-N 2.74Å; A87-R91 VanDerWaalsContact O-CG 3.29Å; A87-R91 WeakPolarHBondContact O-CG 3.27Å; A87-R91 PolarHBondContact O-N 3.04Å
88	E	63.8	Low	54.2	Low	104 Å²	104	101.3 Å²	101.3	49%	0.486	53%	0.529	S	S	.	.	H	α-helix	trans	-65.4	-36.5	176	-74.1	164.9	138.2	0	0	112.7	I84 S85 P86 I90 R91 F92	I84-E88 HydrophobicContact CG2-CB 3.54Å; S85-E88 WeakPolarHBondContact CB-OE2 3.36Å; S85-E88 PolarHBondContact N-OE2 3.26Å; S85-E88 PolarHBondContact O-N 3.48Å; S85-E88 WeakPolarHBondContact OG-CB 3.42Å; S85-E88 WeakPolarHBondContact OG-CG 3.38Å; S85-E88 PolarHBondContact OG-N 3.16Å; S85-E88 PolarHBondContact OG-OE2 2.9Å; P86-E88 PolarHBondContact O-N 3.45Å; E88-I90 VanDerWaalsContact C-N 3.34Å; E88-R91 PolarHBondContact O-N 3.48Å; E88-F92 PolarHBondContact O-N 3.16Å
89	R	67.4	Low	54.8	Low	90 Å²	90	106.2 Å²	106.2	34%	0.34	55%	0.549	S	S	.	.	H	α-helix	trans	-62.2	-42.8	172.1	169.1	-179.7	-69.3	-93.3	-11.8	111	I84 S85 P86 A87 F92 I93 D365	I84-R89 HydrophobicContact CG2-CB 4.47Å; S85-R89 PolarHBondContact O-N 3.33Å; P86-R89 WeakPolarHBondContact O-CB 3.33Å; P86-R89 PolarHBondContact O-N 2.87Å; A87-R89 PolarHBondContact O-N 3.35Å; R89-F92 PolarHBondContact O-N 3.06Å; R89-I93 HydrophobicContact CG-CD1 3.87Å; R89-I93 WeakPolarHBondContact O-CG1 3.48Å; R89-I93 PolarHBondContact O-N 3.28Å; R89-I93 VanDerWaalsContact O-N 3.09Å; R89-D365 IonicContact CZ-OD1 2.76Å; R89-D365 IonicContact NH1-OD1 3.28Å; R89-D365 PolarHBondContact NH1-OD1 2.98Å
90	I	70.4	Confident	55.4	Low	0 Å²	0	100.6 Å²	100.6	0%	0	53%	0.53	C	S	.	.	H	α-helix	trans	-66.7	-42.7	178.1	-69.4	165.5	0	0	0	110.9	P86 A87 E88 F92 I93 L94 I356 A368 E372	P86-I90 WeakPolarHBondContact O-CG1 3.17Å; P86-I90 PolarHBondContact O-N 2.63Å; A87-I90 PolarHBondContact O-N 2.74Å; E88-I90 VanDerWaalsContact C-N 3.34Å; I90-F92 VanDerWaalsContact C-N 3.26Å; I90-F92 PolarHBondContact O-N 2.58Å; I90-I93 PolarHBondContact O-N 2.77Å; I90-I93 VanDerWaalsContact O-N 3.1Å; I90-L94 HydrophobicContact CG2-CD1 3.61Å; I90-L94 HydrophobicContact CG2-CG 4.08Å; I90-L94 WeakPolarHBondContact O-CB 3.39Å; I90-L94 WeakPolarHBondContact O-CG 3.42Å; I90-L94 PolarHBondContact O-N 3.21Å; I90-I356 HydrophobicContact CD1-CD1 4.12Å; I90-I356 HydrophobicContact CG1-CD1 3.91Å; I90-I356 HydrophobicContact CG2-CD1 4.03Å; I90-A368 HydrophobicContact CD1-CB 4.15Å; I90-A368 HydrophobicContact CG1-CB 4.16Å; I90-E372 HydrophobicContact CD1-CB 3.49Å; I90-E372 VanDerWaalsContact CD1-CB 3.49Å; I90-E372 HydrophobicContact CD1-CG 3.87Å; I90-E372 WeakPolarHBondContact CD1-OE2 3.44Å
91	R	65.3	Low	56.7	Low	113 Å²	113	98.6 Å²	98.6	43%	0.426	53%	0.527	S	S	.	.	H	α-helix	trans	-57.4	-38.5	173.1	-71.3	179.9	176.4	-178.3	-6.4	112.4	A87 E88 G95 M406 Y407	A87-R91 VanDerWaalsContact O-CG 3.29Å; A87-R91 WeakPolarHBondContact O-CG 3.27Å; A87-R91 PolarHBondContact O-N 3.04Å; E88-R91 PolarHBondContact O-N 3.48Å; R91-G95 VanDerWaalsContact O-CA 3.29Å; R91-G95 WeakPolarHBondContact O-CA 3.44Å; R91-G95 PolarHBondContact O-N 3.47Å; R91-M406 PolarHBondContact NH2-O 2.91Å; R91-Y407 WeakPolarHBondContact CD-O 3.2Å; R91-Y407 HydrophobicContact CG-CD1 4.1Å; R91-Y407 VanDerWaalsContact CG-O 3.28Å; R91-Y407 WeakPolarHBondContact CG-O 3.28Å
92	F	65.9	Low	58.2	Low	142 Å²	142	94.4 Å²	94.4	62%	0.623	52%	0.52	S	S	*	.	H	α-helix	trans	-66.8	-41.9	174.2	-174	-91.9	0	0	0	112.4	E88 R89 I90 E96	E88-F92 PolarHBondContact O-N 3.16Å; R89-F92 PolarHBondContact O-N 3.06Å; I90-F92 VanDerWaalsContact C-N 3.26Å; I90-F92 PolarHBondContact O-N 2.58Å; F92-E96 PolarHBondContact O-N 3.27Å
93	I	69.6	Low	59.7	Low	16 Å²	16	91 Å²	91	8%	0.082	50%	0.498	C	S	.	.	H	α-helix	trans	-69.6	-40.8	179.8	-66.5	162.6	0	0	0	112	R89 I90 K359 D365	R89-I93 HydrophobicContact CG-CD1 3.87Å; R89-I93 WeakPolarHBondContact O-CG1 3.48Å; R89-I93 PolarHBondContact O-N 3.28Å; R89-I93 VanDerWaalsContact O-N 3.09Å; I90-I93 PolarHBondContact O-N 2.77Å; I90-I93 VanDerWaalsContact O-N 3.1Å; I93-K359 HydrophobicContact CG2-CB 3.68Å; I93-K359 HydrophobicContact CG2-CD 4.22Å; I93-K359 VanDerWaalsContact O-CD 3.23Å; I93-K359 WeakPolarHBondContact O-CD 3.09Å; I93-K359 PolarHBondContact O-NZ 3.17Å; I93-D365 HydrophobicContact CD1-CB 3.86Å
94	L	67.1	Low	61.4	Low	49 Å²	49	84.3 Å²	84.3	26%	0.257	47%	0.465	S	S	.	.	H	α-helix	trans	-81	-26.2	179.4	-63.5	-179.9	0	0	0	112.6	I90 D355	I90-L94 HydrophobicContact CG2-CD1 3.61Å; I90-L94 HydrophobicContact CG2-CG 4.08Å; I90-L94 WeakPolarHBondContact O-CB 3.39Å; I90-L94 WeakPolarHBondContact O-CG 3.42Å; I90-L94 PolarHBondContact O-N 3.21Å; L94-D355 HydrophobicContact CD2-CB 3.79Å
95	G	56	Low	62.6	Low	53 Å²	53	82 Å²	82	55%	0.546	45%	0.452	S	S	.	.	H	α-helix	trans	-92.2	-1.4	-177.5	0	0	0	0	0	116.3	R91 E97	R91-G95 VanDerWaalsContact O-CA 3.29Å; R91-G95 WeakPolarHBondContact O-CA 3.44Å; R91-G95 PolarHBondContact O-N 3.47Å; G95-E97 PolarHBondContact O-N 2.95Å
96	E	54.9	Low	63.6	Low	89 Å²	89	80.2 Å²	80.2	42%	0.416	44%	0.439	S	S	.	.	S	Bend	trans	-63.2	100.8	156.5	-77.5	-174.9	148.5	0	0	107.2	F92 D98 K359 K361	F92-E96 PolarHBondContact O-N 3.27Å; E96-D98 PolarHBondContact O-N 3.33Å; E96-K359 PolarHBondContact O-NZ 2.94Å; E96-K361 IonicContact OE1-NZ 3.79Å; E96-K361 IonicContact OE2-NZ 2.7Å; E96-K361 PolarHBondContact OE2-NZ 3.49Å
97	E	43.5	Very low	64.9	Low	204 Å²	204	77.2 Å²	77.2	95%	0.953	42%	0.419	S	S	*	.			trans	-56.4	115.1	174.1	-72.3	-174.9	156.2	0	0	109.2	G95	G95-E97 PolarHBondContact O-N 2.95Å
98	D	44.8	Very low	66.3	Low	130 Å²	130	75.5 Å²	75.5	70%	0.695	41%	0.405	S	S	*	.			trans	-121.4	115.8	179.5	-165.8	9.1	0	0	0	107.7	E96 G100	E96-D98 PolarHBondContact O-N 3.33Å; D98-G100 PolarHBondContact O-N 3.04Å
99	D	46	Very low	67.7	Low	182 Å²	182	70.6 Å²	70.6	97%	0.973	38%	0.382	S	S	*	.			trans	-70	18.4	-179.2	-97.7	-34.3	0	0	0	112.6
100	G	53.8	Low	69	Low	38 Å²	38	66.4 Å²	66.4	39%	0.392	37%	0.366	S	S	.	.	S	Bend	trans	-86.7	160.1	-174.9	0	0	0	0	0	114.5	D98	D98-G100 PolarHBondContact O-N 3.04Å
101	P	58.8	Low	70	Confident	123 Å²	123	66.4 Å²	66.4	80%	0.799	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-63.5	148.3	170	28.8	-34.4	0	0	0	111
102	P	65.1	Low	71.3	Confident	112 Å²	112	62.8 Å²	62.8	73%	0.727	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-62.8	149.5	178.8	27.5	-35.5	0	0	0	111.5
103	P	70.7	Confident	72.4	Confident	36 Å²	36	56.7 Å²	56.7	23%	0.234	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-62.8	143.7	-176	23.6	-32.6	0	0	0	112.1	K351 D355 Y358	P103-K351 PolarHBondContact O-NZ 3.5Å; P103-D355 VanDerWaalsContact CG-OD1 3.27Å; P103-D355 WeakPolarHBondContact CG-OD1 3.14Å; P103-Y358 HydrophobicContact CB-CD2 3.96Å; P103-Y358 HydrophobicContact CB-CE2 3.96Å; P103-Y358 HydrophobicContact CB-CG 4.37Å
104	P	80.3	Confident	73.1	Confident	38 Å²	38	59.4 Å²	59.4	25%	0.247	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-60.7	162.6	-177	23.7	-32.6	0	0	0	112.5	L106 D279 E281 H354	P104-L106 PolarHBondContact O-N 2.74Å; P104-D279 WeakPolarHBondContact CB-O 3.44Å; P104-E281 HydrophobicContact CB-CG 4.22Å; P104-E281 HydrophobicContact CG-CB 4.37Å; P104-E281 VanDerWaalsContact CG-CD 3.43Å; P104-E281 HydrophobicContact CG-CG 3.69Å; P104-E281 WeakPolarHBondContact CG-OE2 3.3Å; P104-H354 PolarHBondContact O-CE1 3.23Å; P104-H354 PolarHBondContact O-NE2 2.96Å
105	Q	82.4	Confident	73.6	Confident	59 Å²	59	61.1 Å²	61.1	28%	0.276	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-76.6	126.9	176.3	-172.2	172.2	1.9	0	0	110	I130 P277 A280 E281	Q105-I130 VanDerWaalsContact NE2-CG2 3.28Å; Q105-I130 PolarHBondContact NE2-O 3.43Å; Q105-P277 HydrophobicContact CB-CG 3.95Å; Q105-A280 WeakPolarHBondContact O-CA 3.4Å; Q105-E281 PolarHBondContact O-N 3.4Å; Q105-E281 VanDerWaalsContact O-N 3.13Å
106	L	85.4	Confident	74	Confident	6 Å²	6	60.9 Å²	60.9	3%	0.031	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	137	173.3	-74.4	173.1	0	0	0	111.7	P104 E281 F321 M346 H354	P104-L106 PolarHBondContact O-N 2.74Å; L106-E281 CarbonylContact C-O 3.57Å; L106-E281 VanDerWaalsContact CA-O 3.31Å; L106-E281 WeakPolarHBondContact CA-O 3.32Å; L106-E281 HydrophobicContact CD2-CB 3.91Å; L106-F321 HydrophobicContact CD1-CD2 3.95Å; L106-F321 HydrophobicContact CD1-CE2 3.94Å; L106-F321 HydrophobicContact CD2-CD2 3.98Å; L106-F321 HydrophobicContact CD2-CE2 4.24Å; L106-M346 HydrophobicContact CD1-CE 3.59Å; L106-H354 WeakPolarHBondContact CD1-ND1 3.43Å
107	F	90.7	Very high	74.2	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.009	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.6	159.9	169	-114.5	0	0	0	108	E109 R128 I130 F272 L276 E281 A282 S283	F107-E109 HydrophobicContact CE1-CB 4.29Å; F107-E109 WeakPolarHBondContact CE1-OE2 3.33Å; F107-E109 HydrophobicContact CZ-CB 4.45Å; F107-R128 HydrophobicContact CE2-CB 4.1Å; F107-R128 HydrophobicContact CE2-CG 4.48Å; F107-R128 HydrophobicContact CZ-CB 4.39Å; F107-I130 HydrophobicContact CD2-CG1 3.92Å; F107-F272 HydrophobicContact CD2-CE1 4.32Å; F107-F272 AromaticContact CE2-CE1 3.76Å; F107-F272 HydrophobicContact CE2-CE1 3.76Å; F107-F272 HydrophobicContact CE2-CZ 4.21Å; F107-F272 HydrophobicContact CZ-CE1 4.28Å; F107-L276 HydrophobicContact CB-CD1 4.47Å; F107-L276 HydrophobicContact CB-CD2 4.09Å; F107-L276 HydrophobicContact CD2-CD1 4.22Å; F107-L276 HydrophobicContact CG-CD1 4.44Å; F107-L276 HydrophobicContact CG-CD2 4.29Å; F107-E281 PolarHBondContact N-O 2.81Å; F107-A282 CarbonylContact O-C 3.44Å; F107-A282 VanDerWaalsContact O-CA 3.27Å; F107-A282 WeakPolarHBondContact O-CA 3.05Å; F107-S283 PolarHBondContact O-N 3.47Å
108	T	91.4	Very high	75	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.3	-174.5	-49.6	0	0	0	0	110.7	R128 W129 S283 V285 A343 M346 S347	T108-R128 CarbonylContact O-C 3.3Å; T108-R128 VanDerWaalsContact O-CA 3.24Å; T108-R128 WeakPolarHBondContact O-CA 3.46Å; T108-W129 PolarHBondContact N-O 3.38Å; T108-W129 PolarHBondContact O-N 2.8Å; T108-S283 WeakPolarHBondContact CA-O 3.41Å; T108-S283 WeakPolarHBondContact CG2-O 3.11Å; T108-V285 HydrophobicContact CG2-CG2 3.95Å; T108-A343 HydrophobicContact CG2-CB 3.72Å; T108-M346 HydrophobicContact CG2-CB 4.48Å; T108-S347 VanDerWaalsContact CB-OG 3.23Å; T108-S347 WeakPolarHBondContact CB-OG 3.42Å; T108-S347 PolarHBondContact OG1-OG 3.16Å
109	E	92.7	Very high	75.6	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.6	-171.1	-168.6	170.2	171.3	0	0	109.8	F107 E125 H212 S283 V285 T313 E314	F107-E109 HydrophobicContact CE1-CB 4.29Å; F107-E109 WeakPolarHBondContact CE1-OE2 3.33Å; F107-E109 HydrophobicContact CZ-CB 4.45Å; E109-E125 HydrophobicContact CG-CG 4.17Å; E109-H212 IonicContact OE1-CE1 2.73Å; E109-H212 PolarHBondContact OE1-CE1 3.01Å; E109-H212 IonicContact OE1-ND1 3.77Å; E109-H212 PolarHBondContact OE1-ND1 2.76Å; E109-S283 PolarHBondContact N-O 2.68Å; E109-V285 PolarHBondContact O-N 3.39Å; E109-T313 WeakPolarHBondContact OE2-CA 3.28Å; E109-T313 VanDerWaalsContact OE2-CB 3.3Å; E109-T313 WeakPolarHBondContact OE2-CB 3.49Å; E109-T313 WeakPolarHBondContact OE2-CG2 3.24Å; E109-E314 PolarHBondContact OE1-N 2.93Å; E109-E314 PolarHBondContact OE2-N 3.18Å
110	L	93.4	Very high	76.9	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.7	-179.4	175.3	66.4	0	0	0	111	T126 A127 W129 V285 V287 R340	L110-T126 PolarHBondContact O-N 3.16Å; L110-T126 PolarHBondContact O-OG1 3.41Å; L110-A127 HydrophobicContact CB-CB 4.39Å; L110-A127 HydrophobicContact CD2-CB 4.29Å; L110-A127 PolarHBondContact N-O 3.45Å; L110-W129 HydrophobicContact CB-CH2 4.14Å; L110-W129 HydrophobicContact CB-CZ3 3.7Å; L110-W129 HydrophobicContact CD2-CH2 4.03Å; L110-W129 HydrophobicContact CD2-CZ3 4.45Å; L110-V285 WeakPolarHBondContact CA-O 3.49Å; L110-V285 HydrophobicContact CD1-CB 3.96Å; L110-V285 HydrophobicContact CD1-CG1 3.62Å; L110-V287 HydrophobicContact CD1-CB 4.28Å; L110-V287 HydrophobicContact CD1-CG2 3.66Å; L110-R340 HydrophobicContact CD2-CG 3.87Å
111	D	92.8	Very high	78.2	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.7	172.4	-75.9	-36.2	0	0	0	111.3	W123 K124 E125 H210 V285 L286 V287	D111-W123 HydrophobicContact CB-CB 4.48Å; D111-W123 HydrophobicContact CB-CE3 3.89Å; D111-K124 WeakPolarHBondContact CA-O 3.46Å; D111-E125 WeakPolarHBondContact OD1-CA 3.38Å; D111-E125 PolarHBondContact OD1-N 2.91Å; D111-E125 VanDerWaalsContact OD1-N 3.1Å; D111-H210 IonicContact OD2-CE1 2.63Å; D111-H210 PolarHBondContact OD2-CE1 2.96Å; D111-H210 IonicContact OD2-CG 2.68Å; D111-H210 IonicContact OD2-ND1 3.72Å; D111-H210 PolarHBondContact OD2-ND1 3.44Å; D111-V285 PolarHBondContact N-O 3.36Å; D111-L286 HydrophobicContact CB-CD2 3.78Å; D111-V287 PolarHBondContact O-N 2.95Å
112	E	91.6	Very high	79.5	Confident	36 Å²	36	53.1 Å²	53.1	17%	0.168	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	133.9	169.7	-70.8	179.1	-142.1	0	0	110.7	L114 K124 T126 V287 R336	E112-L114 HydrophobicContact CB-CG 4.29Å; E112-L114 PolarHBondContact O-N 3.5Å; E112-K124 PolarHBondContact N-O 3.14Å; E112-K124 PolarHBondContact O-N 2.86Å; E112-T126 HydrophobicContact CB-CG2 3.74Å; E112-T126 HydrophobicContact CG-CG2 3.69Å; E112-T126 PolarHBondContact OE1-OG1 3.21Å; E112-V287 CarbonylContact C-O 3.6Å; E112-V287 VanDerWaalsContact CA-O 3.32Å; E112-V287 WeakPolarHBondContact CA-O 3.45Å; E112-R336 WeakPolarHBondContact OE1-CD 3.41Å; E112-R336 WeakPolarHBondContact OE1-CG 3.43Å
113	L	90.4	Very high	80.7	Confident	15 Å²	15	47.8 Å²	47.8	8%	0.079	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	112.1	171.4	-170.7	69.3	0	0	0	109.9	L121 W123 T205 V287 V290 L326	L113-L121 HydrophobicContact CD1-CB 3.98Å; L113-L121 HydrophobicContact CD2-CD1 4.36Å; L113-L121 HydrophobicContact CG-CB 4.37Å; L113-L121 HydrophobicContact CG-CD2 4.38Å; L113-W123 HydrophobicContact CB-CD2 4.36Å; L113-W123 HydrophobicContact CB-CE3 3.93Å; L113-W123 HydrophobicContact CB-CH2 3.98Å; L113-W123 HydrophobicContact CB-CZ2 4.37Å; L113-W123 HydrophobicContact CB-CZ3 3.74Å; L113-W123 HydrophobicContact CD1-CD2 3.89Å; L113-W123 HydrophobicContact CD1-CE3 4.33Å; L113-W123 HydrophobicContact CD1-CG 4.24Å; L113-W123 HydrophobicContact CD1-CZ2 4.12Å; L113-T205 HydrophobicContact CD1-CG2 4.35Å; L113-T205 HydrophobicContact CD2-CG2 3.56Å; L113-V287 PolarHBondContact N-O 2.98Å; L113-V290 HydrophobicContact CD2-CG1 4.04Å; L113-L326 HydrophobicContact CD2-CD2 4.24Å
114	L	82.9	Confident	81.5	Confident	73 Å²	73	48.8 Å²	48.8	38%	0.382	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.3	-177	-63.5	175	0	0	0	111.3	E112 L121 E122 K124	E112-L114 HydrophobicContact CB-CG 4.29Å; E112-L114 PolarHBondContact O-N 3.5Å; L114-L121 CarbonylContact O-C 3.58Å; L114-L121 WeakPolarHBondContact O-CA 3.35Å; L114-E122 PolarHBondContact N-O 2.79Å; L114-E122 PolarHBondContact O-N 3.08Å; L114-K124 HydrophobicContact CD1-CB 4.23Å; L114-K124 HydrophobicContact CD1-CD 3.94Å
115	S	77.6	Confident	81.9	Confident	84 Å²	84	47 Å²	47	59%	0.587	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.6	170.9	51.9	0	0	0	0	111.3	E120	S115-E120 CarbonylContact C-O 3.41Å; S115-E120 WeakPolarHBondContact CA-O 2.97Å
116	V	65.6	Low	82.2	Confident	49 Å²	49	45.2 Å²	45.2	30%	0.297	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.6	170.4	-176.2	0	0	0	0	108.7	G118 Q119 E120 E122	V116-G118 PolarHBondContact O-N 3.09Å; V116-Q119 PolarHBondContact O-N 3.46Å; V116-E120 PolarHBondContact N-O 2.95Å; V116-E120 PolarHBondContact O-N 3.29Å; V116-E122 HydrophobicContact CG2-CB 4.05Å; V116-E122 HydrophobicContact CG2-CG 3.82Å
117	D	58.9	Low	82.4	Confident	158 Å²	158	45.1 Å²	45.1	85%	0.845	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	26.6	177	-57.4	-30.6	0	0	0	115.4	Q119	D117-Q119 VanDerWaalsContact C-N 3.26Å; D117-Q119 PolarHBondContact O-N 3.21Å
118	G	59.2	Low	82.5	Confident	67 Å²	67	45.6 Å²	45.6	69%	0.691	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	6	176.7	0	0	0	0	0	116	V116	V116-G118 PolarHBondContact O-N 3.09Å
119	Q	58.4	Low	82.4	Confident	183 Å²	183	45.7 Å²	45.7	86%	0.855	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.9	-30.7	-173.9	-66	-172.3	-6.2	0	0	114.8	V116 D117	V116-Q119 PolarHBondContact O-N 3.46Å; D117-Q119 VanDerWaalsContact C-N 3.26Å; D117-Q119 PolarHBondContact O-N 3.21Å
120	E	72.1	Confident	81.9	Confident	91 Å²	91	47.7 Å²	47.7	43%	0.425	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.6	179.6	-68.3	-168.7	176	0	0	111.7	S115 V116	S115-E120 CarbonylContact C-O 3.41Å; S115-E120 WeakPolarHBondContact CA-O 2.97Å; V116-E120 PolarHBondContact N-O 2.95Å; V116-E120 PolarHBondContact O-N 3.29Å
121	L	82.2	Confident	81.2	Confident	58 Å²	58	53.2 Å²	53.2	30%	0.304	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	132.1	170.2	-63.6	167.3	0	0	0	109.4	L113 L114 R208	L113-L121 HydrophobicContact CD1-CB 3.98Å; L113-L121 HydrophobicContact CD2-CD1 4.36Å; L113-L121 HydrophobicContact CG-CB 4.37Å; L113-L121 HydrophobicContact CG-CD2 4.38Å; L114-L121 CarbonylContact O-C 3.58Å; L114-L121 WeakPolarHBondContact O-CA 3.35Å; L121-R208 WeakPolarHBondContact O-CD 3.07Å; L121-R208 PolarHBondContact O-NH1 3.35Å
122	E	86.2	Confident	80.8	Confident	45 Å²	45	55.4 Å²	55.4	21%	0.21	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.6	169.9	-66	-165.3	142.6	0	0	109.4	L114 V116 R211	L114-E122 PolarHBondContact N-O 2.79Å; L114-E122 PolarHBondContact O-N 3.08Å; V116-E122 HydrophobicContact CG2-CB 4.05Å; V116-E122 HydrophobicContact CG2-CG 3.82Å; E122-R211 WeakPolarHBondContact OE2-CD 3.42Å; E122-R211 IonicContact OE2-CZ 3.59Å; E122-R211 IonicContact OE2-NH1 3.2Å; E122-R211 PolarHBondContact OE2-NH1 3.41Å
123	W	89.4	Confident	80.6	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127.9	165.8	-73	109.3	0	0	0	108.4	D111 L113 T205 L206 K209 H210 R211 L286 V287 L326	D111-W123 HydrophobicContact CB-CB 4.48Å; D111-W123 HydrophobicContact CB-CE3 3.89Å; L113-W123 HydrophobicContact CB-CD2 4.36Å; L113-W123 HydrophobicContact CB-CE3 3.93Å; L113-W123 HydrophobicContact CB-CH2 3.98Å; L113-W123 HydrophobicContact CB-CZ2 4.37Å; L113-W123 HydrophobicContact CB-CZ3 3.74Å; L113-W123 HydrophobicContact CD1-CD2 3.89Å; L113-W123 HydrophobicContact CD1-CE3 4.33Å; L113-W123 HydrophobicContact CD1-CG 4.24Å; L113-W123 HydrophobicContact CD1-CZ2 4.12Å; W123-T205 PolarHBondContact NE1-O 2.88Å; W123-L206 HydrophobicContact CZ2-CD2 3.98Å; W123-K209 PolarHBondContact N-O 2.88Å; W123-H210 HydrophobicContact CB-CB 4.36Å; W123-H210 AromaticContact CD1-CE1 3.71Å; W123-H210 AromaticContact CD1-NE2 3.53Å; W123-H210 AromaticContact CG-CE1 3.57Å; W123-H210 AromaticContact CG-ND1 3.92Å; W123-H210 AromaticContact CG-NE2 3.86Å; W123-R211 WeakPolarHBondContact O-CB 3.39Å; W123-R211 PolarHBondContact O-N 2.94Å; W123-L286 HydrophobicContact CH2-CB 3.85Å; W123-L286 HydrophobicContact CZ2-CB 4.48Å; W123-L286 HydrophobicContact CZ3-CB 3.92Å; W123-V287 WeakPolarHBondContact CZ3-O 3.3Å; W123-L326 HydrophobicContact CH2-CD2 3.77Å; W123-L326 HydrophobicContact CZ2-CD2 4.11Å
124	K	88.4	Confident	80.5	Confident	58 Å²	58	54.1 Å²	54.1	25%	0.252	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130	-177.7	-172.3	-173.7	177.2	-177.3	0	111.4	D111 E112 L114 T126	D111-K124 WeakPolarHBondContact CA-O 3.46Å; E112-K124 PolarHBondContact N-O 3.14Å; E112-K124 PolarHBondContact O-N 2.86Å; L114-K124 HydrophobicContact CD1-CB 4.23Å; L114-K124 HydrophobicContact CD1-CD 3.94Å; K124-T126 WeakPolarHBondContact O-CG2 3.45Å; K124-T126 PolarHBondContact O-N 3.18Å
125	E	88.3	Confident	80.7	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	126.7	173.4	-164.5	-166.4	173.9	0	0	110.1	E109 D111 R128 W143 R211 Q213	E109-E125 HydrophobicContact CG-CG 4.17Å; D111-E125 WeakPolarHBondContact OD1-CA 3.38Å; D111-E125 PolarHBondContact OD1-N 2.91Å; D111-E125 VanDerWaalsContact OD1-N 3.1Å; E125-R128 IonicContact OE1-NH1 2.75Å; E125-W143 HydrophobicContact CG-CH2 3.92Å; E125-W143 HydrophobicContact CG-CZ2 4.17Å; E125-W143 WeakPolarHBondContact OE1-CH2 3.35Å; E125-W143 WeakPolarHBondContact OE1-CZ2 3.47Å; E125-R211 PolarHBondContact N-O 3.41Å; E125-Q213 PolarHBondContact OE2-N 3.14Å
126	T	88.8	Confident	80.9	Confident	21 Å²	21	49.7 Å²	49.7	13%	0.129	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	-33.3	-176.1	58.3	0	0	0	0	114.4	L110 E112 K124 V136	L110-T126 PolarHBondContact O-N 3.16Å; L110-T126 PolarHBondContact O-OG1 3.41Å; E112-T126 HydrophobicContact CB-CG2 3.74Å; E112-T126 HydrophobicContact CG-CG2 3.69Å; E112-T126 PolarHBondContact OE1-OG1 3.21Å; K124-T126 WeakPolarHBondContact O-CG2 3.45Å; K124-T126 PolarHBondContact O-N 3.18Å; T126-V136 PolarHBondContact O-N 3.39Å
127	A	90.4	Very high	81.4	Confident	4 Å²	4	50 Å²	50	3%	0.033	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	154.6	177.1	0	0	0	0	0	111.1	L110 W129 E134 K135	L110-A127 HydrophobicContact CB-CB 4.39Å; L110-A127 HydrophobicContact CD2-CB 4.29Å; L110-A127 PolarHBondContact N-O 3.45Å; A127-W129 HydrophobicContact CB-CH2 3.42Å; A127-W129 VanDerWaalsContact CB-CH2 3.42Å; A127-W129 HydrophobicContact CB-CZ2 4.27Å; A127-W129 HydrophobicContact CB-CZ3 3.64Å; A127-E134 CarbonylContact C-O 3.58Å; A127-E134 VanDerWaalsContact CA-O 3.26Å; A127-E134 WeakPolarHBondContact CA-O 3.48Å; A127-K135 HydrophobicContact CB-CB 4.38Å
128	R	91.3	Very high	81.5	Confident	11 Å²	11	51.4 Å²	51.4	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157	177.7	67.9	-174.2	-176.9	-158	-7	112.2	F107 T108 E125 E134 W143 F272 E314	F107-R128 HydrophobicContact CE2-CB 4.1Å; F107-R128 HydrophobicContact CE2-CG 4.48Å; F107-R128 HydrophobicContact CZ-CB 4.39Å; T108-R128 CarbonylContact O-C 3.3Å; T108-R128 VanDerWaalsContact O-CA 3.24Å; T108-R128 WeakPolarHBondContact O-CA 3.46Å; E125-R128 IonicContact OE1-NH1 2.75Å; R128-E134 HydrophobicContact CG-CB 4.09Å; R128-E134 IonicContact CZ-OE2 3.67Å; R128-E134 VanDerWaalsContact CZ-OE2 3.28Å; R128-E134 PolarHBondContact N-O 3.41Å; R128-E134 IonicContact NE-OE2 2.7Å; R128-E134 PolarHBondContact NE-OE2 2.76Å; R128-E134 IonicContact NH2-OE2 3.93Å; R128-E134 PolarHBondContact NH2-OE2 3.12Å; R128-E134 PolarHBondContact O-N 3.01Å; R128-W143 HydrophobicContact CG-CH2 4.06Å; R128-W143 HydrophobicContact CG-CZ3 3.97Å; R128-F272 VanDerWaalsContact NH2-CE2 3.3Å; R128-E314 IonicContact CZ-OE2 3.19Å; R128-E314 IonicContact NH1-OE1 2.84Å; R128-E314 IonicContact NH1-OE2 2.96Å; R128-E314 PolarHBondContact NH1-OE2 2.89Å
129	W	90.6	Very high	81.4	Confident	3 Å²	3	51.8 Å²	51.8	1%	0.011	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	136.9	-177.7	-62.7	-112.1	0	0	0	111.1	T108 L110 A127 E133 R340 A343 T344 S347	T108-W129 PolarHBondContact N-O 3.38Å; T108-W129 PolarHBondContact O-N 2.8Å; L110-W129 HydrophobicContact CB-CH2 4.14Å; L110-W129 HydrophobicContact CB-CZ3 3.7Å; L110-W129 HydrophobicContact CD2-CH2 4.03Å; L110-W129 HydrophobicContact CD2-CZ3 4.45Å; A127-W129 HydrophobicContact CB-CH2 3.42Å; A127-W129 VanDerWaalsContact CB-CH2 3.42Å; A127-W129 HydrophobicContact CB-CZ2 4.27Å; A127-W129 HydrophobicContact CB-CZ3 3.64Å; W129-E133 HydrophobicContact CZ2-CB 4.46Å; W129-E133 HydrophobicContact CZ2-CG 3.77Å; W129-R340 HydrophobicContact CH2-CB 4.48Å; W129-R340 HydrophobicContact CH2-CG 4.15Å; W129-R340 HydrophobicContact CZ2-CB 4.3Å; W129-R340 HydrophobicContact CZ2-CG 4.25Å; W129-A343 HydrophobicContact CD2-CB 3.97Å; W129-A343 HydrophobicContact CE3-CB 3.57Å; W129-A343 HydrophobicContact CH2-CB 3.64Å; W129-A343 HydrophobicContact CZ2-CB 3.96Å; W129-A343 HydrophobicContact CZ3-CB 3.43Å; W129-A343 VanDerWaalsContact CZ3-CB 3.43Å; W129-T344 PolarHBondContact NE1-OG1 2.98Å; W129-S347 VanDerWaalsContact CB-OG 3.22Å; W129-S347 WeakPolarHBondContact CB-OG 3.42Å
130	I	81.9	Confident	81.3	Confident	43 Å²	43	44 Å²	44	22%	0.221	23%	0.229	C	C	.	.	S	Bend	trans	-117.2	-32.9	163.2	-66.7	169.4	0	0	0	110.3	Q105 F107 F272 L276	Q105-I130 VanDerWaalsContact NE2-CG2 3.28Å; Q105-I130 PolarHBondContact NE2-O 3.43Å; F107-I130 HydrophobicContact CD2-CG1 3.92Å; I130-F272 HydrophobicContact CD1-CE1 3.85Å; I130-F272 HydrophobicContact CD1-CE2 4.38Å; I130-F272 HydrophobicContact CD1-CZ 3.47Å; I130-F272 VanDerWaalsContact CD1-CZ 3.47Å; I130-F272 HydrophobicContact CG1-CZ 4.39Å; I130-L276 HydrophobicContact CD1-CD1 3.57Å; I130-L276 HydrophobicContact CG1-CD1 3.97Å
131	K	77.9	Confident	80.6	Confident	117 Å²	117	47.2 Å²	47.2	51%	0.509	25%	0.245	S	C	.	.	S	Bend	trans	-156.8	-40.8	173.9	-65.8	-167	177.6	-167.3	0	109.8	L397	K131-L397 HydrophobicContact CD-CD1 4.47Å
132	F	84.8	Confident	80	Confident	47 Å²	47	52.6 Å²	52.6	21%	0.206	26%	0.261	C	S	.	.	S	Bend	trans	-118.3	159.5	177.2	-59.7	-60.2	0	0	0	110.2	P146 H147 V148 P393 L397	F132-P146 HydrophobicContact CB-CB 3.98Å; F132-H147 WeakPolarHBondContact CB-O 3.46Å; F132-V148 HydrophobicContact CD1-CG2 4.48Å; F132-V148 HydrophobicContact CE1-CG2 4.45Å; F132-P393 HydrophobicContact CD1-CB 3.91Å; F132-P393 HydrophobicContact CD2-CB 3.8Å; F132-P393 HydrophobicContact CD2-CG 4.17Å; F132-P393 HydrophobicContact CE1-CB 3.58Å; F132-P393 HydrophobicContact CE2-CB 3.46Å; F132-P393 VanDerWaalsContact CE2-CB 3.46Å; F132-P393 HydrophobicContact CE2-CG 4.13Å; F132-P393 HydrophobicContact CG-CB 4.01Å; F132-P393 HydrophobicContact CZ-CB 3.34Å; F132-P393 HydrophobicContact CZ-CG 4.46Å; F132-L397 HydrophobicContact CZ-CD2 4.13Å
133	E	87.3	Confident	79.6	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.5	179.6	-173.9	174.5	176.6	0	0	110.6	W129 P146 H147 A149 R340	W129-E133 HydrophobicContact CZ2-CB 4.46Å; W129-E133 HydrophobicContact CZ2-CG 3.77Å; E133-P146 WeakPolarHBondContact O-CA 3.46Å; E133-H147 PolarHBondContact N-O 3.4Å; E133-H147 PolarHBondContact O-CE1 3.13Å; E133-H147 PolarHBondContact O-N 3.01Å; E133-H147 PolarHBondContact O-ND1 3.21Å; E133-A149 HydrophobicContact CB-CB 4.22Å; E133-A149 WeakPolarHBondContact OE2-CA 3.33Å; E133-A149 WeakPolarHBondContact OE2-CB 3.41Å; E133-R340 IonicContact OE1-CZ 3.04Å; E133-R340 IonicContact OE1-NE 2.7Å; E133-R340 PolarHBondContact OE1-NE 3.1Å; E133-R340 IonicContact OE1-NH2 3.5Å; E133-R340 PolarHBondContact OE1-NH2 3.02Å; E133-R340 IonicContact OE2-CZ 2.71Å; E133-R340 IonicContact OE2-NE 3.61Å; E133-R340 IonicContact OE2-NH2 2.73Å; E133-R340 PolarHBondContact OE2-NH2 2.94Å
134	E	87.9	Confident	79.1	Confident	23 Å²	23	52.9 Å²	52.9	11%	0.107	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.4	159.1	-69.9	-174.8	167.3	0	0	107.6	A127 R128 W143 P146 K275	A127-E134 CarbonylContact C-O 3.58Å; A127-E134 VanDerWaalsContact CA-O 3.26Å; A127-E134 WeakPolarHBondContact CA-O 3.48Å; R128-E134 HydrophobicContact CG-CB 4.09Å; R128-E134 IonicContact CZ-OE2 3.67Å; R128-E134 VanDerWaalsContact CZ-OE2 3.28Å; R128-E134 PolarHBondContact N-O 3.41Å; R128-E134 IonicContact NE-OE2 2.7Å; R128-E134 PolarHBondContact NE-OE2 2.76Å; R128-E134 IonicContact NH2-OE2 3.93Å; R128-E134 PolarHBondContact NH2-OE2 3.12Å; R128-E134 PolarHBondContact O-N 3.01Å; E134-W143 HydrophobicContact CB-CE3 4.04Å; E134-W143 HydrophobicContact CB-CZ3 4.49Å; E134-W143 WeakPolarHBondContact O-CZ3 3.41Å; E134-P146 HydrophobicContact CG-CB 4.46Å; E134-P146 HydrophobicContact CG-CG 4.12Å; E134-K275 IonicContact OE1-NZ 3.18Å
135	K	86.8	Confident	78.6	Confident	37 Å²	37	54.9 Å²	54.9	16%	0.161	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144.7	179	69	-173	175.7	-173.4	0	112	A127 S144 H147 D388	A127-K135 HydrophobicContact CB-CB 4.38Å; K135-S144 PolarHBondContact N-OG 3.07Å; K135-S144 WeakPolarHBondContact O-CB 3.43Å; K135-S144 PolarHBondContact O-N 3.24Å; K135-S144 PolarHBondContact O-OG 3.24Å; K135-H147 WeakPolarHBondContact CE-NE2 3.29Å; K135-D388 IonicContact NZ-OD1 2.65Å
136	V	83.5	Confident	78.3	Confident	27 Å²	27	57.3 Å²	57.3	16%	0.164	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-69.8	129.8	174.4	-178.9	0	0	0	0	109.2	T126 W143	T126-V136 PolarHBondContact O-N 3.39Å; V136-W143 HydrophobicContact CG2-CD2 4.24Å; V136-W143 HydrophobicContact CG2-CE3 3.89Å; V136-W143 HydrophobicContact CG2-CH2 3.61Å; V136-W143 HydrophobicContact CG2-CZ2 3.95Å; V136-W143 HydrophobicContact CG2-CZ3 3.57Å
137	E	74.2	Confident	77.9	Confident	56 Å²	56	56.4 Å²	56.4	26%	0.262	28%	0.28	S	S	.	.			trans	-73.6	149.4	-176.5	-57.3	-160.9	130.1	0	0	111.8	G139 G140 R142 R390	E137-G139 PolarHBondContact O-N 3.02Å; E137-G140 PolarHBondContact O-N 3.06Å; E137-R142 PolarHBondContact N-O 3.43Å; E137-R142 WeakPolarHBondContact OE2-CD 3.18Å; E137-R142 IonicContact OE2-NE 2.75Å; E137-R390 IonicContact OE1-CZ 3.67Å; E137-R390 VanDerWaalsContact OE1-CZ 3.28Å; E137-R390 IonicContact OE1-NH1 3.97Å; E137-R390 PolarHBondContact OE1-NH1 2.91Å; E137-R390 IonicContact OE1-NH2 3Å; E137-R390 PolarHBondContact OE1-NH2 2.93Å
138	K	61.5	Low	77.7	Confident	187 Å²	187	58.6 Å²	58.6	81%	0.813	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	94.6	179.8	-63.8	173	-171.8	164.5	0	109.2	D388	K138-D388 IonicContact NZ-OD1 2.72Å; K138-D388 IonicContact NZ-OD2 2.71Å; K138-D388 PolarHBondContact NZ-OD2 3.18Å
139	G	57.9	Low	77.3	Confident	75 Å²	75	59.2 Å²	59.2	77%	0.773	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	145.4	-23	-166.5	0	0	0	0	0	113.6	E137 E141	E137-G139 PolarHBondContact O-N 3.02Å; G139-E141 PolarHBondContact O-N 3.48Å
140	G	56.3	Low	77.1	Confident	18 Å²	18	60.5 Å²	60.5	19%	0.186	31%	0.308	C	S	.	.	S	Bend	trans	78.4	13	163.7	0	0	0	0	0	117	E137 Q213	E137-G140 PolarHBondContact O-N 3.06Å; G140-Q213 PolarHBondContact O-NE2 2.9Å; G140-Q213 PolarHBondContact O-OE1 3.33Å
141	E	57.6	Low	77.3	Confident	160 Å²	160	60.5 Å²	60.5	75%	0.748	31%	0.309	S	S	*	.	S	Bend	trans	-114.4	-10.2	-179.6	-64.4	-168.8	160.1	0	0	114.3	G139	G139-E141 PolarHBondContact O-N 3.48Å
142	R	69.4	Low	77.6	Confident	171 Å²	171	57.1 Å²	57.1	65%	0.645	30%	0.3	S	S	*	.			trans	-142.2	140.3	-168.8	-177.9	173	-177.8	-169.9	4.9	113.2	E137	E137-R142 PolarHBondContact N-O 3.43Å; E137-R142 WeakPolarHBondContact OE2-CD 3.18Å; E137-R142 IonicContact OE2-NE 2.75Å
143	W	78.3	Confident	77.7	Confident	43 Å²	43	59.4 Å²	59.4	16%	0.163	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-81	140.9	167	-72.4	106.6	0	0	0	112.1	E125 R128 E134 V136 Q213	E125-W143 HydrophobicContact CG-CH2 3.92Å; E125-W143 HydrophobicContact CG-CZ2 4.17Å; E125-W143 WeakPolarHBondContact OE1-CH2 3.35Å; E125-W143 WeakPolarHBondContact OE1-CZ2 3.47Å; R128-W143 HydrophobicContact CG-CH2 4.06Å; R128-W143 HydrophobicContact CG-CZ3 3.97Å; E134-W143 HydrophobicContact CB-CE3 4.04Å; E134-W143 HydrophobicContact CB-CZ3 4.49Å; E134-W143 WeakPolarHBondContact O-CZ3 3.41Å; V136-W143 HydrophobicContact CG2-CD2 4.24Å; V136-W143 HydrophobicContact CG2-CE3 3.89Å; V136-W143 HydrophobicContact CG2-CH2 3.61Å; V136-W143 HydrophobicContact CG2-CZ2 3.95Å; V136-W143 HydrophobicContact CG2-CZ3 3.57Å; W143-Q213 HydrophobicContact CZ2-CB 3.85Å; W143-Q213 HydrophobicContact CZ2-CG 4.39Å
144	S	77.7	Confident	77.8	Confident	8 Å²	8	65.2 Å²	65.2	6%	0.056	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-63.1	168.1	168.9	74.9	0	0	0	0	112	K135	K135-S144 PolarHBondContact N-OG 3.07Å; K135-S144 WeakPolarHBondContact O-CB 3.43Å; K135-S144 PolarHBondContact O-N 3.24Å; K135-S144 PolarHBondContact O-OG 3.24Å
145	K	77.9	Confident	77.9	Confident	100 Å²	100	64.2 Å²	64.2	44%	0.435	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-63.1	155.7	156.8	-66.5	-169	-173.5	-177.1	0	109.9	H147 E392 P872	K145-H147 PolarHBondContact O-ND1 2.92Å; K145-E392 IonicContact NZ-OE1 3.94Å; K145-E392 PolarHBondContact NZ-OE1 3.42Å; K145-P872 WeakPolarHBondContact CE-O 3.45Å; K145-P872 PolarHBondContact NZ-O 3.3Å
146	P	81.9	Confident	78.1	Confident	51 Å²	51	62.5 Å²	62.5	33%	0.331	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-55.2	135	163.3	-22.3	32.4	0	0	0	111	F132 E133 E134	F132-P146 HydrophobicContact CB-CB 3.98Å; E133-P146 WeakPolarHBondContact O-CA 3.46Å; E134-P146 HydrophobicContact CG-CB 4.46Å; E134-P146 HydrophobicContact CG-CG 4.12Å
147	H	82	Confident	78.4	Confident	3 Å²	3	65.7 Å²	65.7	1%	0.014	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-145.7	157.8	178.3	59	-53.4	0	0	0	111.4	F132 E133 K135 K145 A149 R390 I391	F132-H147 WeakPolarHBondContact CB-O 3.46Å; E133-H147 PolarHBondContact N-O 3.4Å; E133-H147 PolarHBondContact O-CE1 3.13Å; E133-H147 PolarHBondContact O-N 3.01Å; E133-H147 PolarHBondContact O-ND1 3.21Å; K135-H147 WeakPolarHBondContact CE-NE2 3.29Å; K145-H147 PolarHBondContact O-ND1 2.92Å; H147-A149 PolarHBondContact O-N 3.4Å; H147-R390 HydrophobicContact CB-CB 3.92Å; H147-I391 WeakPolarHBondContact CA-O 3.36Å; H147-I391 WeakPolarHBondContact CB-O 3.49Å
148	V	84.2	Confident	79.3	Confident	50 Å²	50	64.4 Å²	64.4	30%	0.303	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-66	131.7	173.3	-174.6	0	0	0	0	108.6	F132 T150 I391	F132-V148 HydrophobicContact CD1-CG2 4.48Å; F132-V148 HydrophobicContact CE1-CG2 4.45Å; V148-T150 PolarHBondContact O-N 2.94Å; V148-I391 HydrophobicContact CB-CB 4.15Å; V148-I391 HydrophobicContact CB-CG2 4.19Å; V148-I391 HydrophobicContact CG2-CB 4.43Å; V148-I391 HydrophobicContact CG2-CG2 4Å; V148-I391 PolarHBondContact N-O 2.8Å
149	A	84.1	Confident	80.8	Confident	23 Å²	23	55.5 Å²	55.5	19%	0.19	30%	0.298	C	S	.	.			trans	-71.9	110.9	-177	0	0	0	0	0	110.9	E133 H147 L151 T344	E133-A149 HydrophobicContact CB-CB 4.22Å; E133-A149 WeakPolarHBondContact OE2-CA 3.33Å; E133-A149 WeakPolarHBondContact OE2-CB 3.41Å; H147-A149 PolarHBondContact O-N 3.4Å; A149-L151 PolarHBondContact O-N 3.13Å; A149-T344 HydrophobicContact CB-CG2 3.83Å
150	T	85.3	Confident	82.5	Confident	30 Å²	30	54.6 Å²	54.6	18%	0.184	27%	0.273	C	S	.	.			trans	-81.4	109.5	170.7	47.3	0	0	0	0	109.3	V148 R340 P387 I391	V148-T150 PolarHBondContact O-N 2.94Å; T150-R340 PolarHBondContact O-NH1 3.49Å; T150-R340 PolarHBondContact O-NH2 2.94Å; T150-P387 PolarHBondContact OG1-O 3.47Å; T150-I391 HydrophobicContact CG2-CD1 4.06Å
151	L	86.3	Confident	84.2	Confident	43 Å²	43	55.5 Å²	55.5	23%	0.225	28%	0.279	C	S	.	.			trans	-103.6	148.8	179.4	-62.8	-178.7	0	0	0	111.3	A149 L156 R340 A341 T344 F373	A149-L151 PolarHBondContact O-N 3.13Å; L151-L156 HydrophobicContact CB-CD1 4.36Å; L151-L156 HydrophobicContact CD1-CD1 4.21Å; L151-L156 HydrophobicContact CD1-CD2 4.34Å; L151-L156 HydrophobicContact CD1-CG 4.42Å; L151-R340 HydrophobicContact CD2-CB 4.13Å; L151-A341 HydrophobicContact CD1-CB 4.36Å; L151-A341 HydrophobicContact CD2-CB 4.36Å; L151-T344 HydrophobicContact CD1-CG2 3.96Å; L151-F373 HydrophobicContact CD1-CE1 4.39Å; L151-F373 HydrophobicContact CD1-CZ 4.45Å
152	S	85.5	Confident	85.9	Confident	46 Å²	46	49.7 Å²	49.7	32%	0.322	25%	0.25	S	S	.	.			trans	-84	132.9	168.7	84.3	0	0	0	0	110	H154 S155 L156	S152-H154 PolarHBondContact O-N 3.44Å; S152-S155 PolarHBondContact O-N 3.18Å; S152-S155 VanDerWaalsContact O-N 3.14Å; S152-S155 PolarHBondContact O-OG 2.57Å; S152-S155 VanDerWaalsContact O-OG 3.06Å; S152-S155 VanDerWaalsContact OG-CB 3.26Å; S152-S155 WeakPolarHBondContact OG-CB 3.28Å; S152-S155 PolarHBondContact OG-N 3.03Å; S152-S155 PolarHBondContact OG-OG 3.31Å; S152-L156 PolarHBondContact O-N 3.16Å
153	L	86.8	Confident	87	Confident	96 Å²	96	41.7 Å²	41.7	50%	0.503	22%	0.22	S	C	.	.	H	α-helix	trans	-59.8	-30	173.7	-174.7	145.8	0	0	0	111.3	L156 M157 V379	L153-L156 PolarHBondContact O-N 3.4Å; L153-M157 HydrophobicContact CD2-CG 4.05Å; L153-M157 WeakPolarHBondContact O-CG 3.35Å; L153-M157 PolarHBondContact O-N 3.08Å; L153-M157 VanDerWaalsContact O-N 3.09Å; L153-V379 HydrophobicContact CD1-CG2 3.94Å
154	H	88.7	Confident	87.6	Confident	123 Å²	123	44.7 Å²	44.7	57%	0.569	24%	0.236	S	C	*	.	H	α-helix	trans	-62.9	-44.2	174.9	-169.3	60.5	0	0	0	112.8	S152 L156 M157 E158	S152-H154 PolarHBondContact O-N 3.44Å; H154-L156 PolarHBondContact O-N 3.32Å; H154-M157 PolarHBondContact O-N 3.15Å; H154-E158 PolarHBondContact O-N 3.09Å
155	S	90.4	Very high	88.1	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	26%	0.263	C	S	.	.	H	α-helix	trans	-70.8	-29.3	179.5	62.4	0	0	0	0	113.2	S152 L159 E337	S152-S155 PolarHBondContact O-N 3.18Å; S152-S155 VanDerWaalsContact O-N 3.14Å; S152-S155 PolarHBondContact O-OG 2.57Å; S152-S155 VanDerWaalsContact O-OG 3.06Å; S152-S155 VanDerWaalsContact OG-CB 3.26Å; S152-S155 WeakPolarHBondContact OG-CB 3.28Å; S152-S155 PolarHBondContact OG-N 3.03Å; S152-S155 PolarHBondContact OG-OG 3.31Å; S155-L159 VanDerWaalsContact O-CB 3.24Å; S155-L159 WeakPolarHBondContact O-CB 3.29Å; S155-L159 PolarHBondContact O-N 3.37Å; S155-E337 WeakPolarHBondContact CB-O 2.93Å; S155-E337 PolarHBondContact OG-O 3.37Å; S155-E337 VanDerWaalsContact OG-O 3.04Å
156	L	89.9	Confident	88.6	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-40.2	168.7	-76.7	162.2	0	0	0	112	L151 S152 L153 H154 L159 K160 A341 L345 F373 L374	L151-L156 HydrophobicContact CB-CD1 4.36Å; L151-L156 HydrophobicContact CD1-CD1 4.21Å; L151-L156 HydrophobicContact CD1-CD2 4.34Å; L151-L156 HydrophobicContact CD1-CG 4.42Å; S152-L156 PolarHBondContact O-N 3.16Å; L153-L156 PolarHBondContact O-N 3.4Å; H154-L156 PolarHBondContact O-N 3.32Å; L156-L159 WeakPolarHBondContact O-CB 3.47Å; L156-L159 PolarHBondContact O-N 3.02Å; L156-K160 PolarHBondContact O-N 3.08Å; L156-A341 HydrophobicContact CD2-CB 3.93Å; L156-A341 HydrophobicContact CG-CB 4.18Å; L156-L345 HydrophobicContact CD2-CD1 3.99Å; L156-L345 HydrophobicContact CD2-CG 4.49Å; L156-F373 HydrophobicContact CD1-CE1 4.11Å; L156-F373 HydrophobicContact CD2-CD1 4.19Å; L156-F373 HydrophobicContact CD2-CE1 3.94Å; L156-L374 HydrophobicContact CB-CD2 4.05Å; L156-L374 HydrophobicContact CD1-CD2 4.03Å
157	M	91.3	Very high	89	Confident	94 Å²	94	44.8 Å²	44.8	46%	0.463	23%	0.233	S	C	.	.	H	α-helix	trans	-71.4	-37.4	176.2	-65.9	-62.7	-74.9	0	0	112.7	L153 H154 K160 A161 L374	L153-M157 HydrophobicContact CD2-CG 4.05Å; L153-M157 WeakPolarHBondContact O-CG 3.35Å; L153-M157 PolarHBondContact O-N 3.08Å; L153-M157 VanDerWaalsContact O-N 3.09Å; H154-M157 PolarHBondContact O-N 3.15Å; M157-K160 PolarHBondContact O-N 2.97Å; M157-A161 PolarHBondContact O-N 2.7Å; M157-A161 VanDerWaalsContact O-N 3.16Å; M157-L374 HydrophobicContact SD-CD1 4Å
158	E	92.6	Very high	89.5	Confident	28 Å²	28	46 Å²	46	13%	0.131	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-44.8	169.5	-75.1	-161.1	128.6	0	0	110.6	H154 K160 A161 Y162 K331 S334 I338	H154-E158 PolarHBondContact O-N 3.09Å; E158-K160 PolarHBondContact O-N 2.86Å; E158-A161 PolarHBondContact O-N 3.23Å; E158-A161 VanDerWaalsContact O-N 3.16Å; E158-Y162 HydrophobicContact CB-CD2 4.31Å; E158-Y162 HydrophobicContact CB-CE2 4.06Å; E158-Y162 WeakPolarHBondContact O-CD2 3.34Å; E158-Y162 PolarHBondContact O-N 3.34Å; E158-K331 IonicContact OE1-NZ 2.63Å; E158-K331 PolarHBondContact OE1-NZ 3.2Å; E158-S334 WeakPolarHBondContact OE2-CB 3.23Å; E158-S334 PolarHBondContact OE2-OG 2.76Å; E158-I338 HydrophobicContact CB-CD1 3.93Å; E158-I338 HydrophobicContact CB-CG1 4.07Å
159	L	93.6	Very high	89.9	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.9	-45.2	175.5	176.8	61.9	0	0	0	112.3	S155 L156 A161 Y162 I163 F323 I338 A341 I342 L345	S155-L159 VanDerWaalsContact O-CB 3.24Å; S155-L159 WeakPolarHBondContact O-CB 3.29Å; S155-L159 PolarHBondContact O-N 3.37Å; L156-L159 WeakPolarHBondContact O-CB 3.47Å; L156-L159 PolarHBondContact O-N 3.02Å; L159-A161 VanDerWaalsContact C-N 3.35Å; L159-A161 PolarHBondContact O-N 3.09Å; L159-Y162 PolarHBondContact O-N 3Å; L159-I163 HydrophobicContact CD1-CD1 3.77Å; L159-I163 HydrophobicContact CD1-CG1 4.22Å; L159-I163 HydrophobicContact CG-CD1 4.06Å; L159-I163 PolarHBondContact O-N 2.98Å; L159-F323 HydrophobicContact CD1-CE2 4.09Å; L159-F323 HydrophobicContact CD1-CZ 3.86Å; L159-I338 HydrophobicContact CB-CG2 4.1Å; L159-I338 HydrophobicContact CD1-CG2 3.9Å; L159-A341 HydrophobicContact CD2-CB 4.05Å; L159-I342 HydrophobicContact CD1-CB 3.96Å; L159-I342 HydrophobicContact CD1-CG1 4.48Å; L159-I342 HydrophobicContact CD2-CB 3.79Å; L159-I342 HydrophobicContact CD2-CD1 4.22Å; L159-L345 HydrophobicContact CD2-CD1 3.53Å
160	K	93.3	Very high	90.3	Very high	56 Å²	56	46.2 Å²	46.2	24%	0.243	24%	0.235	C	C	.	.	H	α-helix	trans	-57.1	-47.5	175.2	-174	-179	-179.6	173.5	0	111.3	L156 M157 E158 Y162 I163 E164 L367 I370 D371	L156-K160 PolarHBondContact O-N 3.08Å; M157-K160 PolarHBondContact O-N 2.97Å; E158-K160 PolarHBondContact O-N 2.86Å; K160-Y162 VanDerWaalsContact C-N 3.3Å; K160-Y162 PolarHBondContact O-N 2.85Å; K160-I163 PolarHBondContact O-N 3.45Å; K160-E164 WeakPolarHBondContact O-CB 3.41Å; K160-E164 PolarHBondContact O-N 3.32Å; K160-L367 HydrophobicContact CG-CD2 3.77Å; K160-I370 HydrophobicContact CB-CG2 4.3Å; K160-D371 VanDerWaalsContact CE-OD1 3.27Å; K160-D371 WeakPolarHBondContact CE-OD1 3.48Å; K160-D371 IonicContact NZ-OD1 3.01Å; K160-D371 PolarHBondContact NZ-OD1 2.83Å; K160-D371 IonicContact NZ-OD2 3.66Å; K160-D371 PolarHBondContact NZ-OD2 3.1Å
161	A	92.4	Very high	90.5	Very high	38 Å²	38	48.2 Å²	48.2	31%	0.314	25%	0.245	S	C	.	.	H	α-helix	trans	-65.1	-32.2	178	0	0	0	0	0	112.9	M157 E158 L159 K165	M157-A161 PolarHBondContact O-N 2.7Å; M157-A161 VanDerWaalsContact O-N 3.16Å; E158-A161 PolarHBondContact O-N 3.23Å; E158-A161 VanDerWaalsContact O-N 3.16Å; L159-A161 VanDerWaalsContact C-N 3.35Å; L159-A161 PolarHBondContact O-N 3.09Å; A161-K165 PolarHBondContact O-N 3.31Å
162	Y	91.9	Very high	90.7	Very high	37 Å²	37	47.1 Å²	47.1	15%	0.145	24%	0.239	C	C	.	.	H	α-helix	trans	-72.5	-39	174.8	-75	-50.6	0	0	0	113	E158 L159 K160 G166 P296 V298 I338	E158-Y162 HydrophobicContact CB-CD2 4.31Å; E158-Y162 HydrophobicContact CB-CE2 4.06Å; E158-Y162 WeakPolarHBondContact O-CD2 3.34Å; E158-Y162 PolarHBondContact O-N 3.34Å; L159-Y162 PolarHBondContact O-N 3Å; K160-Y162 VanDerWaalsContact C-N 3.3Å; K160-Y162 PolarHBondContact O-N 2.85Å; Y162-G166 WeakPolarHBondContact O-CA 3.38Å; Y162-G166 PolarHBondContact O-N 2.98Å; Y162-P296 HydrophobicContact CE1-CB 4.1Å; Y162-P296 HydrophobicContact CE1-CG 3.61Å; Y162-V298 HydrophobicContact CD1-CG2 3.68Å; Y162-V298 HydrophobicContact CE1-CG2 4.36Å; Y162-V298 HydrophobicContact CG-CG2 4.15Å; Y162-I338 HydrophobicContact CD2-CD1 3.96Å; Y162-I338 HydrophobicContact CD2-CG2 4.49Å; Y162-I338 HydrophobicContact CE2-CD1 3.52Å
163	I	92.2	Very high	90.9	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-71.5	-30.9	173.5	-73.7	172.5	0	0	0	111.4	L159 K160 I168 I342 L366 L367 I370	L159-I163 HydrophobicContact CD1-CD1 3.77Å; L159-I163 HydrophobicContact CD1-CG1 4.22Å; L159-I163 HydrophobicContact CG-CD1 4.06Å; L159-I163 PolarHBondContact O-N 2.98Å; K160-I163 PolarHBondContact O-N 3.45Å; I163-I168 HydrophobicContact CG2-CD1 3.89Å; I163-I168 WeakPolarHBondContact O-CD1 3.36Å; I163-I342 HydrophobicContact CD1-CD1 4.3Å; I163-L366 HydrophobicContact CG2-CB 4.32Å; I163-L367 HydrophobicContact CB-CD2 4.37Å; I163-L367 HydrophobicContact CG2-CD2 3.94Å; I163-L367 HydrophobicContact CG2-CG 4.25Å; I163-I370 HydrophobicContact CB-CD1 4.37Å; I163-I370 HydrophobicContact CD1-CD1 3.66Å; I163-I370 HydrophobicContact CG2-CD1 4.34Å
164	E	91.2	Very high	90.9	Very high	106 Å²	106	47.2 Å²	47.2	50%	0.495	23%	0.233	S	C	.	.	H	α-helix	trans	-65.2	-41.6	174.8	-175.5	176.5	-149	0	0	112.7	K160 R363 L367	K160-E164 WeakPolarHBondContact O-CB 3.41Å; K160-E164 PolarHBondContact O-N 3.32Å; E164-R363 PolarHBondContact O-NH1 3.28Å; E164-L367 HydrophobicContact CB-CD1 4.23Å; E164-L367 HydrophobicContact CB-CD2 4.19Å; E164-L367 HydrophobicContact CG-CD1 4.34Å
165	K	88.5	Confident	90.7	Very high	145 Å²	145	45 Å²	45	63%	0.63	23%	0.232	S	C	*	.	H	α-helix	trans	-98.9	-28.6	-172.7	-65.9	177.2	-177.7	175.4	0	114.7	A161 Q193	A161-K165 PolarHBondContact O-N 3.31Å; K165-Q193 PolarHBondContact O-NE2 2.71Å
166	G	87.6	Confident	90.5	Very high	6 Å²	6	47 Å²	47	6%	0.062	24%	0.244	C	C	.	.	S	Bend	trans	-72.1	179.4	-174.7	0	0	0	0	0	114.7	Y162	Y162-G166 WeakPolarHBondContact O-CA 3.38Å; Y162-G166 PolarHBondContact O-N 2.98Å
167	T	91.1	Very high	90.4	Very high	10 Å²	10	47.3 Å²	47.3	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.9	176.3	-38.6	0	0	0	0	109.9	L169 Q188 Q193 V298 A299 F300	T167-L169 HydrophobicContact CG2-CD2 4.33Å; T167-L169 HydrophobicContact CG2-CG 4.23Å; T167-Q188 HydrophobicContact CG2-CG 4.43Å; T167-Q188 WeakPolarHBondContact OG1-CG 3.5Å; T167-Q188 PolarHBondContact OG1-NE2 3.34Å; T167-Q193 PolarHBondContact OG1-OE1 3.48Å; T167-V298 PolarHBondContact N-O 2.87Å; T167-V298 PolarHBondContact OG1-O 2.67Å; T167-A299 WeakPolarHBondContact O-CA 3.32Å; T167-F300 PolarHBondContact O-N 3.22Å
168	I	93.1	Very high	90.3	Very high	29 Å²	29	45.5 Å²	45.5	15%	0.149	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.5	176.6	-59	-169.6	0	0	0	107.9	I163 L170 F300 R363 L366	I163-I168 HydrophobicContact CG2-CD1 3.89Å; I163-I168 WeakPolarHBondContact O-CD1 3.36Å; I168-L170 HydrophobicContact CG2-CD1 4.41Å; I168-L170 HydrophobicContact CG2-CD2 3.99Å; I168-L170 HydrophobicContact CG2-CG 3.94Å; I168-F300 WeakPolarHBondContact CA-O 3.32Å; I168-F300 HydrophobicContact CG1-CB 4.44Å; I168-F300 HydrophobicContact CG2-CD1 4.3Å; I168-R363 HydrophobicContact CD1-CB 3.6Å; I168-L366 HydrophobicContact CD1-CD1 4.04Å; I168-L366 HydrophobicContact CG2-CD1 4.02Å
169	L	92.5	Very high	90.1	Very high	37 Å²	37	47.5 Å²	47.5	19%	0.194	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	112.1	178.5	-59.8	177.1	0	0	0	108.1	T167 M172 I184 F300 V301 R302	T167-L169 HydrophobicContact CG2-CD2 4.33Å; T167-L169 HydrophobicContact CG2-CG 4.23Å; L169-M172 HydrophobicContact CB-SD 4.3Å; L169-M172 HydrophobicContact CD1-SD 3.85Å; L169-I184 HydrophobicContact CD1-CG1 4.03Å; L169-F300 PolarHBondContact N-O 3.36Å; L169-V301 HydrophobicContact CB-CG2 4.42Å; L169-V301 CarbonylContact O-C 3.59Å; L169-V301 VanDerWaalsContact O-CA 3.31Å; L169-V301 WeakPolarHBondContact O-CA 3.43Å; L169-R302 PolarHBondContact O-N 2.71Å
170	L	92.1	Very high	90	Very high	41 Å²	41	47.5 Å²	47.5	22%	0.215	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	142.2	179.5	-58.7	177.7	0	0	0	109.7	I168 M172 F300 R302 A360	I168-L170 HydrophobicContact CG2-CD1 4.41Å; I168-L170 HydrophobicContact CG2-CD2 3.99Å; I168-L170 HydrophobicContact CG2-CG 3.94Å; L170-M172 VanDerWaalsContact C-N 3.31Å; L170-M172 PolarHBondContact O-N 2.74Å; L170-F300 HydrophobicContact CD2-CD1 4.37Å; L170-F300 HydrophobicContact CD2-CE1 4.16Å; L170-R302 HydrophobicContact CD2-CB 3.9Å; L170-A360 HydrophobicContact CD1-CB 4.36Å
171	D	89.9	Confident	89.9	Confident	72 Å²	72	45 Å²	45	39%	0.385	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56	41.8	179.8	-52.7	-40.8	0	0	0	114	R302 Q304	D171-R302 WeakPolarHBondContact CA-O 3.39Å; D171-R302 PolarHBondContact N-O 3.42Å; D171-R302 IonicContact OD1-CZ 2.94Å; D171-R302 VanDerWaalsContact OD1-CZ 3.29Å; D171-R302 IonicContact OD1-NE 3.6Å; D171-R302 PolarHBondContact OD1-NE 2.92Å; D171-R302 IonicContact OD1-NH2 3.7Å; D171-R302 PolarHBondContact OD1-NH2 2.89Å; D171-R302 IonicContact OD2-CZ 2.67Å; D171-R302 IonicContact OD2-NE 3.46Å; D171-R302 IonicContact OD2-NH2 3.74Å; D171-R302 PolarHBondContact OD2-NH2 3.09Å; D171-Q304 HydrophobicContact CB-CB 4.48Å
172	M	90	Very high	89.8	Confident	20 Å²	20	47.9 Å²	47.9	10%	0.099	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132.3	-179.3	-168.4	175.1	76.4	0	0	111.8	L169 L170 A174 V180 M183 V301 R302 L303 Q304	L169-M172 HydrophobicContact CB-SD 4.3Å; L169-M172 HydrophobicContact CD1-SD 3.85Å; L170-M172 VanDerWaalsContact C-N 3.31Å; L170-M172 PolarHBondContact O-N 2.74Å; M172-A174 HydrophobicContact CE-CB 4.08Å; M172-A174 PolarHBondContact O-N 2.88Å; M172-V180 HydrophobicContact CE-CB 4.09Å; M172-V180 HydrophobicContact CE-CG1 3.95Å; M172-V180 HydrophobicContact CE-CG2 3.8Å; M172-M183 HydrophobicContact CE-CE 4.03Å; M172-M183 HydrophobicContact CG-CE 3.62Å; M172-M183 HydrophobicContact CG-SD 4.42Å; M172-M183 HydrophobicContact SD-CB 4.23Å; M172-M183 HydrophobicContact SD-CE 3.68Å; M172-V301 HydrophobicContact CB-CG1 4.48Å; M172-V301 HydrophobicContact CE-CG1 3.44Å; M172-V301 VanDerWaalsContact CE-CG1 3.44Å; M172-V301 HydrophobicContact SD-CG1 4.12Å; M172-R302 PolarHBondContact N-O 2.88Å; M172-L303 HydrophobicContact CB-CD2 4.47Å; M172-L303 HydrophobicContact CE-CD2 3.76Å; M172-L303 WeakPolarHBondContact O-CA 3.49Å; M172-Q304 PolarHBondContact O-N 3.38Å
173	E	89.8	Confident	89.8	Confident	133 Å²	133	49.1 Å²	49.1	62%	0.621	25%	0.254	S	S	*	.			trans	-92.8	94.3	177	-67.1	-178.9	-171.4	0	0	110.3	Q304	E173-Q304 HydrophobicContact CG-CB 4.26Å; E173-Q304 PolarHBondContact OE1-NE2 2.97Å
174	A	86.3	Confident	89.8	Confident	10 Å²	10	49 Å²	49	8%	0.083	25%	0.254	C	S	.	.			trans	-135.7	139.4	176.6	0	0	0	0	0	111.1	M172 V180 M183 L303	M172-A174 HydrophobicContact CE-CB 4.08Å; M172-A174 PolarHBondContact O-N 2.88Å; A174-V180 HydrophobicContact CB-CG2 3.51Å; A174-M183 HydrophobicContact CB-CE 3.63Å; A174-L303 HydrophobicContact CB-CD2 3.93Å
175	S	84.8	Confident	89.7	Confident	78 Å²	78	44 Å²	44	55%	0.545	23%	0.23	S	C	.	.	S	Bend	trans	-105.4	-15.2	178.8	59.9	0	0	0	0	114.1	Q179 V307	S175-Q179 PolarHBondContact OG-OE1 3.45Å; S175-V307 WeakPolarHBondContact O-CG1 3.26Å
176	T	87.1	Confident	89.9	Confident	42 Å²	42	40.3 Å²	40.3	26%	0.258	22%	0.217	S	C	.	.	S	Bend	trans	-140.3	154.1	-176	64	0	0	0	0	112.2	Q179 V180	T176-Q179 WeakPolarHBondContact O-CB 3.36Å; T176-Q179 PolarHBondContact O-N 3.31Å; T176-Q179 WeakPolarHBondContact OG1-CB 3.34Å; T176-V180 PolarHBondContact O-N 3.07Å; T176-V180 VanDerWaalsContact O-N 3.1Å
177	L	87.7	Confident	90	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.042	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-41.6	179.8	-179	65.2	0	0	0	113.6	Q179 V180 V181 L207 F259 L309 L312 M322	L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 2.82Å; L177-V180 WeakPolarHBondContact O-CB 3.36Å; L177-V180 PolarHBondContact O-N 2.96Å; L177-V181 HydrophobicContact CD1-CG2 4.25Å; L177-V181 HydrophobicContact CG-CG2 4.46Å; L177-V181 WeakPolarHBondContact O-CG2 3.26Å; L177-V181 PolarHBondContact O-N 3.37Å; L177-L207 HydrophobicContact CD2-CD2 4.12Å; L177-L207 HydrophobicContact CG-CD2 3.91Å; L177-F259 HydrophobicContact CD2-CD1 4.32Å; L177-F259 HydrophobicContact CD2-CE1 3.71Å; L177-F259 HydrophobicContact CD2-CZ 4.28Å; L177-L309 HydrophobicContact CB-CD2 4.49Å; L177-L309 HydrophobicContact CD1-CD1 4.49Å; L177-L312 HydrophobicContact CD1-CD2 4.41Å; L177-L312 HydrophobicContact CD2-CD1 4.43Å; L177-M322 HydrophobicContact CD1-CE 3.69Å
178	P	88.7	Confident	89.8	Confident	56 Å²	56	41 Å²	41	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-59.8	-39.3	174.7	-25.4	36.5	0	0	0	113.1	V181 E182 L207	P178-V181 PolarHBondContact O-N 2.99Å; P178-E182 WeakPolarHBondContact O-CB 3.5Å; P178-E182 PolarHBondContact O-N 2.96Å; P178-L207 HydrophobicContact CB-CD1 4.09Å; P178-L207 HydrophobicContact CB-CD2 4.43Å; P178-L207 HydrophobicContact CG-CD1 4.24Å; P178-L207 HydrophobicContact CG-CD2 4.11Å
179	Q	89.4	Confident	89.7	Confident	70 Å²	70	42 Å²	42	33%	0.327	23%	0.226	S	C	.	.	H	α-helix	trans	-66.3	-39.6	177.6	-164.5	-163.5	-3.1	0	0	111.9	S175 T176 L177 M183	S175-Q179 PolarHBondContact OG-OE1 3.45Å; T176-Q179 WeakPolarHBondContact O-CB 3.36Å; T176-Q179 PolarHBondContact O-N 3.31Å; T176-Q179 WeakPolarHBondContact OG1-CB 3.34Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 2.82Å; Q179-M183 HydrophobicContact CG-CE 4.15Å; Q179-M183 WeakPolarHBondContact O-CG 3.27Å; Q179-M183 PolarHBondContact O-N 3.18Å
180	V	89.9	Confident	89.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-52.8	171.3	166.6	0	0	0	0	110.5	M172 A174 T176 L177 E182 M183 I184 L303 M322	M172-V180 HydrophobicContact CE-CB 4.09Å; M172-V180 HydrophobicContact CE-CG1 3.95Å; M172-V180 HydrophobicContact CE-CG2 3.8Å; A174-V180 HydrophobicContact CB-CG2 3.51Å; T176-V180 PolarHBondContact O-N 3.07Å; T176-V180 VanDerWaalsContact O-N 3.1Å; L177-V180 WeakPolarHBondContact O-CB 3.36Å; L177-V180 PolarHBondContact O-N 2.96Å; V180-E182 PolarHBondContact O-N 2.96Å; V180-M183 PolarHBondContact O-N 3.36Å; V180-I184 HydrophobicContact CG1-CD1 3.78Å; V180-I184 WeakPolarHBondContact O-CD1 3.43Å; V180-I184 VanDerWaalsContact O-CG1 3.24Å; V180-I184 WeakPolarHBondContact O-CG1 3.37Å; V180-I184 PolarHBondContact O-N 3.38Å; V180-I184 VanDerWaalsContact O-N 3.15Å; V180-L303 HydrophobicContact CG2-CD2 4.18Å; V180-M322 HydrophobicContact CG1-CE 3.92Å; V180-M322 HydrophobicContact CG1-SD 3.8Å
181	V	90.9	Very high	89.1	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.024	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-43.7	-176.7	170.7	0	0	0	0	111.6	L177 P178 I184 T185 V203 L206 L207	L177-V181 HydrophobicContact CD1-CG2 4.25Å; L177-V181 HydrophobicContact CG-CG2 4.46Å; L177-V181 WeakPolarHBondContact O-CG2 3.26Å; L177-V181 PolarHBondContact O-N 3.37Å; P178-V181 PolarHBondContact O-N 2.99Å; V181-I184 PolarHBondContact O-N 3.05Å; V181-T185 WeakPolarHBondContact O-CG2 3.48Å; V181-T185 PolarHBondContact O-N 2.86Å; V181-T185 PolarHBondContact O-OG1 2.96Å; V181-V203 HydrophobicContact CG1-CB 4.3Å; V181-V203 HydrophobicContact CG1-CG1 4.26Å; V181-V203 HydrophobicContact CG1-CG2 4.1Å; V181-L206 HydrophobicContact CG1-CB 3.97Å; V181-L206 HydrophobicContact CG1-CD1 3.88Å; V181-L206 HydrophobicContact CG2-CB 3.9Å; V181-L206 HydrophobicContact CG2-CD1 4.33Å; V181-L207 HydrophobicContact CG2-CD2 4.12Å
182	E	90.9	Very high	88.8	Confident	99 Å²	99	50 Å²	50	46%	0.463	28%	0.283	S	S	.	.	H	α-helix	trans	-60.3	-51.1	178.7	179.5	153.2	-132.1	0	0	111.8	P178 V180 I184 T185 D186 K199	P178-E182 WeakPolarHBondContact O-CB 3.5Å; P178-E182 PolarHBondContact O-N 2.96Å; V180-E182 PolarHBondContact O-N 2.96Å; E182-I184 VanDerWaalsContact C-N 3.32Å; E182-I184 PolarHBondContact O-N 2.99Å; E182-T185 PolarHBondContact O-N 2.87Å; E182-T185 PolarHBondContact O-OG1 3.34Å; E182-D186 WeakPolarHBondContact CG-OD2 3.44Å; E182-D186 PolarHBondContact O-N 3.32Å; E182-K199 IonicContact OE1-NZ 3.5Å; E182-K199 PolarHBondContact OE1-NZ 3.49Å
183	M	91.3	Very high	88.4	Confident	63 Å²	63	52.9 Å²	52.9	31%	0.31	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-36.3	179.3	-70.7	-168.5	-66.9	0	0	113.3	M172 A174 Q179 V180 S187	M172-M183 HydrophobicContact CE-CE 4.03Å; M172-M183 HydrophobicContact CG-CE 3.62Å; M172-M183 HydrophobicContact CG-SD 4.42Å; M172-M183 HydrophobicContact SD-CB 4.23Å; M172-M183 HydrophobicContact SD-CE 3.68Å; A174-M183 HydrophobicContact CB-CE 3.63Å; Q179-M183 HydrophobicContact CG-CE 4.15Å; Q179-M183 WeakPolarHBondContact O-CG 3.27Å; Q179-M183 PolarHBondContact O-N 3.18Å; V180-M183 PolarHBondContact O-N 3.36Å; M183-S187 WeakPolarHBondContact O-CB 3.45Å; M183-S187 PolarHBondContact O-N 3.09Å; M183-S187 VanDerWaalsContact O-N 3.14Å
184	I	92.4	Very high	88.2	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-47.2	172.6	-61.8	160.9	0	0	0	110.3	L169 V180 V181 E182 Q188 F297 A299 V301	L169-I184 HydrophobicContact CD1-CG1 4.03Å; V180-I184 HydrophobicContact CG1-CD1 3.78Å; V180-I184 WeakPolarHBondContact O-CD1 3.43Å; V180-I184 VanDerWaalsContact O-CG1 3.24Å; V180-I184 WeakPolarHBondContact O-CG1 3.37Å; V180-I184 PolarHBondContact O-N 3.38Å; V180-I184 VanDerWaalsContact O-N 3.15Å; V181-I184 PolarHBondContact O-N 3.05Å; E182-I184 VanDerWaalsContact C-N 3.32Å; E182-I184 PolarHBondContact O-N 2.99Å; I184-Q188 PolarHBondContact O-N 3.06Å; I184-Q188 VanDerWaalsContact O-N 3.12Å; I184-F297 HydrophobicContact CG2-CE1 4.18Å; I184-F297 HydrophobicContact CG2-CE2 4.38Å; I184-F297 HydrophobicContact CG2-CZ 3.56Å; I184-A299 HydrophobicContact CD1-CB 4.49Å; I184-A299 HydrophobicContact CG1-CB 4.49Å; I184-A299 HydrophobicContact CG2-CB 3.42Å; I184-A299 VanDerWaalsContact CG2-CB 3.42Å; I184-V301 HydrophobicContact CD1-CG2 3.81Å; I184-V301 HydrophobicContact CG1-CG2 3.89Å
185	T	90.7	Very high	88.3	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.1	-40.9	-178.1	55.1	0	0	0	0	113	V181 E182 Q188 I189 L194 K199 V202 V203 F297	V181-T185 WeakPolarHBondContact O-CG2 3.48Å; V181-T185 PolarHBondContact O-N 2.86Å; V181-T185 PolarHBondContact O-OG1 2.96Å; E182-T185 PolarHBondContact O-N 2.87Å; E182-T185 PolarHBondContact O-OG1 3.34Å; T185-Q188 PolarHBondContact O-N 2.91Å; T185-I189 WeakPolarHBondContact O-CD1 3.4Å; T185-I189 VanDerWaalsContact O-CG1 3.28Å; T185-I189 WeakPolarHBondContact O-CG1 3.36Å; T185-I189 PolarHBondContact O-N 3.42Å; T185-L194 HydrophobicContact CG2-CD2 4.45Å; T185-K199 WeakPolarHBondContact OG1-CE 3.38Å; T185-V202 HydrophobicContact CG2-CB 4.32Å; T185-V202 HydrophobicContact CG2-CG1 3.82Å; T185-V203 HydrophobicContact CG2-CG2 4.03Å; T185-F297 HydrophobicContact CG2-CE2 4.22Å; T185-F297 HydrophobicContact CG2-CZ 4.33Å
186	D	91	Very high	88.3	Confident	67 Å²	67	51.3 Å²	51.3	36%	0.358	29%	0.287	S	S	.	.	H	α-helix	trans	-67.5	-39.7	179.4	-71.8	-30.8	0	0	0	111.6	E182 Q188 I189 E190 K199	E182-D186 WeakPolarHBondContact CG-OD2 3.44Å; E182-D186 PolarHBondContact O-N 3.32Å; D186-Q188 VanDerWaalsContact C-N 3.31Å; D186-Q188 PolarHBondContact O-N 2.97Å; D186-I189 PolarHBondContact O-N 2.98Å; D186-E190 PolarHBondContact O-N 3.15Å; D186-K199 VanDerWaalsContact CG-NZ 3.25Å; D186-K199 WeakPolarHBondContact OD1-CE 3.49Å; D186-K199 IonicContact OD1-NZ 3.89Å; D186-K199 PolarHBondContact OD1-NZ 3.04Å; D186-K199 IonicContact OD2-NZ 2.91Å; D186-K199 PolarHBondContact OD2-NZ 3.11Å
187	S	90.1	Very high	88.3	Confident	27 Å²	27	56.1 Å²	56.1	19%	0.189	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-35.4	173.2	-171.7	0	0	0	0	112.8	M183 T191	M183-S187 WeakPolarHBondContact O-CB 3.45Å; M183-S187 PolarHBondContact O-N 3.09Å; M183-S187 VanDerWaalsContact O-N 3.14Å; S187-T191 WeakPolarHBondContact O-CB 3.34Å; S187-T191 WeakPolarHBondContact O-CG2 3.4Å; S187-T191 PolarHBondContact O-N 2.96Å; S187-T191 PolarHBondContact O-OG1 3.08Å
188	Q	87.8	Confident	88.3	Confident	3 Å²	3	57 Å²	57	1%	0.014	32%	0.316	C	S	.	.	H	α-helix	trans	-72.9	-29.2	173.8	-83.2	-162.7	24	0	0	114.3	T167 I184 T185 D186 T191 G192 Q193 L194 F297 V298	T167-Q188 HydrophobicContact CG2-CG 4.43Å; T167-Q188 WeakPolarHBondContact OG1-CG 3.5Å; T167-Q188 PolarHBondContact OG1-NE2 3.34Å; I184-Q188 PolarHBondContact O-N 3.06Å; I184-Q188 VanDerWaalsContact O-N 3.12Å; T185-Q188 PolarHBondContact O-N 2.91Å; D186-Q188 VanDerWaalsContact C-N 3.31Å; D186-Q188 PolarHBondContact O-N 2.97Å; Q188-T191 WeakPolarHBondContact CA-OG1 3.3Å; Q188-T191 PolarHBondContact O-OG1 3.01Å; Q188-G192 PolarHBondContact O-N 3.03Å; Q188-Q193 HydrophobicContact CB-CB 4.35Å; Q188-Q193 HydrophobicContact CG-CB 4.28Å; Q188-Q193 PolarHBondContact O-N 2.9Å; Q188-L194 HydrophobicContact CB-CB 3.86Å; Q188-L194 PolarHBondContact O-N 2.95Å; Q188-L194 VanDerWaalsContact O-N 3.08Å; Q188-F297 VanDerWaalsContact CD-CD2 3.48Å; Q188-F297 HydrophobicContact CG-CE2 4.43Å; Q188-V298 PolarHBondContact NE2-O 2.94Å; Q188-V298 VanDerWaalsContact NE2-O 3.08Å
189	I	89.5	Confident	88.3	Confident	50 Å²	50	56.5 Å²	56.5	26%	0.256	31%	0.308	S	S	.	.	H	α-helix	trans	-73.1	-44.3	174.4	-66.2	160.4	0	0	0	109.8	T185 D186 T191 G192 L194 A196 K199	T185-I189 WeakPolarHBondContact O-CD1 3.4Å; T185-I189 VanDerWaalsContact O-CG1 3.28Å; T185-I189 WeakPolarHBondContact O-CG1 3.36Å; T185-I189 PolarHBondContact O-N 3.42Å; D186-I189 PolarHBondContact O-N 2.98Å; I189-T191 VanDerWaalsContact C-N 3.34Å; I189-T191 PolarHBondContact O-N 2.87Å; I189-G192 PolarHBondContact O-N 3.04Å; I189-L194 HydrophobicContact CG1-CB 4.19Å; I189-L194 HydrophobicContact CG1-CD2 4.29Å; I189-L194 HydrophobicContact CG1-CG 4.36Å; I189-A196 HydrophobicContact CG2-CB 4.42Å; I189-K199 HydrophobicContact CD1-CB 3.89Å; I189-K199 HydrophobicContact CD1-CD 3.87Å; I189-K199 HydrophobicContact CD1-CG 4.03Å
190	E	88.8	Confident	88.2	Confident	172 Å²	172	61 Å²	61	80%	0.804	33%	0.329	S	S	*	.	H	α-helix	trans	-60.5	-41.1	176.2	-174.2	-179.5	-161.4	0	0	112.2	D186 G192	D186-E190 PolarHBondContact O-N 3.15Å; E190-G192 PolarHBondContact O-N 3.14Å
191	T	84.8	Confident	88.1	Confident	82 Å²	82	66 Å²	66	50%	0.503	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.6	176.4	54	0	0	0	0	114.2	S187 Q188 I189 Q193	S187-T191 WeakPolarHBondContact O-CB 3.34Å; S187-T191 WeakPolarHBondContact O-CG2 3.4Å; S187-T191 PolarHBondContact O-N 2.96Å; S187-T191 PolarHBondContact O-OG1 3.08Å; Q188-T191 WeakPolarHBondContact CA-OG1 3.3Å; Q188-T191 PolarHBondContact O-OG1 3.01Å; I189-T191 VanDerWaalsContact C-N 3.34Å; I189-T191 PolarHBondContact O-N 2.87Å; T191-Q193 PolarHBondContact O-N 3.04Å
192	G	82.1	Confident	88	Confident	66 Å²	66	65.8 Å²	65.8	68%	0.68	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	14.9	178.3	0	0	0	0	0	115	Q188 I189 E190	Q188-G192 PolarHBondContact O-N 3.03Å; I189-G192 PolarHBondContact O-N 3.04Å; E190-G192 PolarHBondContact O-N 3.14Å
193	Q	81.6	Confident	87.9	Confident	80 Å²	80	62.8 Å²	62.8	37%	0.374	34%	0.338	S	S	.	.	S	Bend	trans	-81.3	-26.8	178.1	-61.8	-166.9	-19.6	0	0	112.5	K165 T167 Q188 T191	K165-Q193 PolarHBondContact O-NE2 2.71Å; T167-Q193 PolarHBondContact OG1-OE1 3.48Å; Q188-Q193 HydrophobicContact CB-CB 4.35Å; Q188-Q193 HydrophobicContact CG-CB 4.28Å; Q188-Q193 PolarHBondContact O-N 2.9Å; T191-Q193 PolarHBondContact O-N 3.04Å
194	L	86.9	Confident	87.7	Confident	11 Å²	11	64.2 Å²	64.2	6%	0.058	34%	0.341	C	S	.	.	S	Bend	trans	-123.1	131.9	179.3	-174.8	64.5	0	0	0	111.2	T185 Q188 I189 L198 V202 L293 F297	T185-L194 HydrophobicContact CG2-CD2 4.45Å; Q188-L194 HydrophobicContact CB-CB 3.86Å; Q188-L194 PolarHBondContact O-N 2.95Å; Q188-L194 VanDerWaalsContact O-N 3.08Å; I189-L194 HydrophobicContact CG1-CB 4.19Å; I189-L194 HydrophobicContact CG1-CD2 4.29Å; I189-L194 HydrophobicContact CG1-CG 4.36Å; L194-L198 HydrophobicContact CD1-CB 3.9Å; L194-L198 HydrophobicContact CD1-CD1 4.38Å; L194-V202 HydrophobicContact CD1-CG2 4.16Å; L194-V202 HydrophobicContact CD2-CG2 4.22Å; L194-L293 HydrophobicContact CD1-CD2 4Å; L194-F297 HydrophobicContact CD2-CD2 4.4Å; L194-F297 HydrophobicContact CD2-CE2 4.26Å
195	K	87.3	Confident	87.5	Confident	114 Å²	114	64.4 Å²	64.4	50%	0.496	34%	0.342	S	S	.	.			trans	-69.5	132.6	171.2	-65.5	169.4	179.6	167.2	0	109.3	D197 L198 E294	K195-D197 PolarHBondContact O-N 2.93Å; K195-L198 HydrophobicContact CB-CD1 4.21Å; K195-L198 HydrophobicContact CB-CG 4.27Å; K195-L198 HydrophobicContact CD-CD1 4.47Å; K195-L198 WeakPolarHBondContact O-CB 3.49Å; K195-L198 PolarHBondContact O-N 3.07Å; K195-E294 IonicContact NZ-OE1 3.21Å; K195-E294 IonicContact NZ-OE2 3.19Å; K195-E294 PolarHBondContact NZ-OE2 3Å
196	A	85.6	Confident	87.4	Confident	62 Å²	62	64.6 Å²	64.6	51%	0.512	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-53.9	-39	-177.5	0	0	0	0	0	113.2	I189 L198 K199	I189-A196 HydrophobicContact CG2-CB 4.42Å; A196-L198 PolarHBondContact O-N 2.9Å; A196-K199 WeakPolarHBondContact O-CB 3.39Å; A196-K199 PolarHBondContact O-N 2.99Å
197	D	87.1	Confident	87.2	Confident	144 Å²	144	62.5 Å²	62.5	77%	0.77	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-58.1	-15.2	176.6	-47.5	-20.9	0	0	0	114.4	K195	K195-D197 PolarHBondContact O-N 2.93Å
198	L	87.8	Confident	87	Confident	25 Å²	25	62.8 Å²	62.8	13%	0.131	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-100.1	-7.8	178.8	-57.6	178.8	0	0	0	113	L194 K195 A196 E200 K201 V202 F292 L293	L194-L198 HydrophobicContact CD1-CB 3.9Å; L194-L198 HydrophobicContact CD1-CD1 4.38Å; K195-L198 HydrophobicContact CB-CD1 4.21Å; K195-L198 HydrophobicContact CB-CG 4.27Å; K195-L198 HydrophobicContact CD-CD1 4.47Å; K195-L198 WeakPolarHBondContact O-CB 3.49Å; K195-L198 PolarHBondContact O-N 3.07Å; A196-L198 PolarHBondContact O-N 2.9Å; L198-E200 PolarHBondContact O-N 3.33Å; L198-K201 HydrophobicContact CD2-CD 4.2Å; L198-K201 PolarHBondContact O-N 2.84Å; L198-V202 WeakPolarHBondContact O-CG2 3.49Å; L198-V202 PolarHBondContact O-N 3.04Å; L198-F292 HydrophobicContact CD2-CD2 4.25Å; L198-L293 HydrophobicContact CD1-CD2 4.21Å
199	K	88	Confident	86.6	Confident	46 Å²	46	67.4 Å²	67.4	20%	0.2	35%	0.349	C	S	.	.	H	α-helix	trans	-51.1	-56.1	-179.7	-175.2	176.4	172.5	176.5	0	110.8	E182 T185 D186 I189 A196 K201 V202 V203	E182-K199 IonicContact OE1-NZ 3.5Å; E182-K199 PolarHBondContact OE1-NZ 3.49Å; T185-K199 WeakPolarHBondContact OG1-CE 3.38Å; D186-K199 VanDerWaalsContact CG-NZ 3.25Å; D186-K199 WeakPolarHBondContact OD1-CE 3.49Å; D186-K199 IonicContact OD1-NZ 3.89Å; D186-K199 PolarHBondContact OD1-NZ 3.04Å; D186-K199 IonicContact OD2-NZ 2.91Å; D186-K199 PolarHBondContact OD2-NZ 3.11Å; I189-K199 HydrophobicContact CD1-CB 3.89Å; I189-K199 HydrophobicContact CD1-CD 3.87Å; I189-K199 HydrophobicContact CD1-CG 4.03Å; A196-K199 WeakPolarHBondContact O-CB 3.39Å; A196-K199 PolarHBondContact O-N 2.99Å; K199-K201 VanDerWaalsContact C-N 3.28Å; K199-K201 PolarHBondContact O-N 2.73Å; K199-V202 PolarHBondContact O-N 3.42Å; K199-V202 VanDerWaalsContact O-N 3.16Å; K199-V203 HydrophobicContact CG-CG2 4.12Å; K199-V203 VanDerWaalsContact O-CG2 3.3Å; K199-V203 WeakPolarHBondContact O-CG2 3.25Å; K199-V203 PolarHBondContact O-N 3.4Å
200	E	87.4	Confident	86.4	Confident	164 Å²	164	65.6 Å²	65.6	77%	0.766	34%	0.339	S	S	*	.	H	α-helix	trans	-58.5	-38.4	-176.9	-62.9	-174.7	171.7	0	0	112.7	L198 Y204	L198-E200 PolarHBondContact O-N 3.33Å; E200-Y204 WeakPolarHBondContact O-CB 3.49Å; E200-Y204 PolarHBondContact O-N 3.18Å
201	K	88	Confident	86	Confident	106 Å²	106	62.8 Å²	62.8	46%	0.461	32%	0.321	S	S	.	.	H	α-helix	trans	-69.5	-39.8	178.9	-63.3	-178.1	-177.5	175.1	0	112.3	L198 K199 T205 F292	L198-K201 HydrophobicContact CD2-CD 4.2Å; L198-K201 PolarHBondContact O-N 2.84Å; K199-K201 VanDerWaalsContact C-N 3.28Å; K199-K201 PolarHBondContact O-N 2.73Å; K201-T205 WeakPolarHBondContact O-CB 3.48Å; K201-T205 PolarHBondContact O-N 2.7Å; K201-T205 PolarHBondContact O-OG1 3Å; K201-F292 HydrophobicContact CB-CD1 4.33Å; K201-F292 HydrophobicContact CB-CD2 4Å; K201-F292 HydrophobicContact CB-CE1 4.06Å; K201-F292 HydrophobicContact CB-CE2 3.72Å; K201-F292 HydrophobicContact CB-CG 4.3Å; K201-F292 HydrophobicContact CB-CZ 3.75Å; K201-F292 HydrophobicContact CD-CB 4.13Å; K201-F292 HydrophobicContact CD-CD1 4.28Å; K201-F292 HydrophobicContact CD-CD2 4.16Å; K201-F292 HydrophobicContact CD-CG 3.93Å
202	V	88.6	Confident	85.8	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.6	-49	176	175.1	0	0	0	0	110.5	T185 L194 L198 K199 Y204 T205 L206 F292 L293 F297	T185-V202 HydrophobicContact CG2-CB 4.32Å; T185-V202 HydrophobicContact CG2-CG1 3.82Å; L194-V202 HydrophobicContact CD1-CG2 4.16Å; L194-V202 HydrophobicContact CD2-CG2 4.22Å; L198-V202 WeakPolarHBondContact O-CG2 3.49Å; L198-V202 PolarHBondContact O-N 3.04Å; K199-V202 PolarHBondContact O-N 3.42Å; K199-V202 VanDerWaalsContact O-N 3.16Å; V202-Y204 VanDerWaalsContact C-N 3.34Å; V202-Y204 PolarHBondContact O-N 2.75Å; V202-T205 PolarHBondContact O-N 3.45Å; V202-T205 VanDerWaalsContact O-N 3.1Å; V202-L206 HydrophobicContact CG1-CD1 3.79Å; V202-L206 HydrophobicContact CG1-CG 4.49Å; V202-L206 PolarHBondContact O-N 3.05Å; V202-F292 HydrophobicContact CG2-CE2 3.84Å; V202-F292 HydrophobicContact CG2-CZ 4.45Å; V202-L293 HydrophobicContact CG2-CD2 4.34Å; V202-F297 HydrophobicContact CG1-CD2 4.12Å; V202-F297 HydrophobicContact CG1-CE1 4.37Å; V202-F297 HydrophobicContact CG1-CE2 3.75Å; V202-F297 HydrophobicContact CG1-CZ 3.87Å
203	V	89.1	Confident	85.1	Confident	35 Å²	35	58.8 Å²	58.8	21%	0.212	28%	0.279	C	S	.	.	H	α-helix	trans	-57.2	-47.6	176.8	175.5	0	0	0	0	110.8	V181 T185 K199 T205 L206 L207	V181-V203 HydrophobicContact CG1-CB 4.3Å; V181-V203 HydrophobicContact CG1-CG1 4.26Å; V181-V203 HydrophobicContact CG1-CG2 4.1Å; T185-V203 HydrophobicContact CG2-CG2 4.03Å; K199-V203 HydrophobicContact CG-CG2 4.12Å; K199-V203 VanDerWaalsContact O-CG2 3.3Å; K199-V203 WeakPolarHBondContact O-CG2 3.25Å; K199-V203 PolarHBondContact O-N 3.4Å; V203-T205 VanDerWaalsContact C-N 3.28Å; V203-T205 PolarHBondContact O-N 2.86Å; V203-L206 PolarHBondContact O-N 3.38Å; V203-L207 HydrophobicContact CG1-CD1 3.76Å; V203-L207 HydrophobicContact CG1-CG 4.43Å; V203-L207 WeakPolarHBondContact O-CB 3.37Å; V203-L207 WeakPolarHBondContact O-CG 3.41Å; V203-L207 PolarHBondContact O-N 2.67Å
204	Y	87.3	Confident	83.9	Confident	94 Å²	94	58.3 Å²	58.3	37%	0.369	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-32.2	177	177.5	-102	0	0	0	113.6	E200 V202 R208 L256	E200-Y204 WeakPolarHBondContact O-CB 3.49Å; E200-Y204 PolarHBondContact O-N 3.18Å; V202-Y204 VanDerWaalsContact C-N 3.34Å; V202-Y204 PolarHBondContact O-N 2.75Å; Y204-R208 VanDerWaalsContact O-CG 3.29Å; Y204-R208 WeakPolarHBondContact O-CG 3.43Å; Y204-R208 PolarHBondContact OH-NH2 3.19Å; Y204-L256 HydrophobicContact CD2-CD2 4.49Å
205	T	88.9	Confident	81.7	Confident	5 Å²	5	65.2 Å²	65.2	3%	0.031	31%	0.311	C	S	.	.	H	α-helix	trans	-76.3	-42.1	178.1	-56.2	0	0	0	0	111.6	L113 W123 K201 V202 V203 R208 V290 L326	L113-T205 HydrophobicContact CD1-CG2 4.35Å; L113-T205 HydrophobicContact CD2-CG2 3.56Å; W123-T205 PolarHBondContact NE1-O 2.88Å; K201-T205 WeakPolarHBondContact O-CB 3.48Å; K201-T205 PolarHBondContact O-N 2.7Å; K201-T205 PolarHBondContact O-OG1 3Å; V202-T205 PolarHBondContact O-N 3.45Å; V202-T205 VanDerWaalsContact O-N 3.1Å; V203-T205 VanDerWaalsContact C-N 3.28Å; V203-T205 PolarHBondContact O-N 2.86Å; T205-R208 WeakPolarHBondContact O-CB 3.23Å; T205-R208 PolarHBondContact O-N 3.23Å; T205-V290 HydrophobicContact CG2-CG1 4.08Å; T205-L326 HydrophobicContact CG2-CD1 4.39Å
206	L	87.4	Confident	79.5	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-72.6	-29.8	179.5	-69.6	168.9	0	0	0	112.8	W123 V181 V202 V203 R208 L286 F297 V324 L326	W123-L206 HydrophobicContact CZ2-CD2 3.98Å; V181-L206 HydrophobicContact CG1-CB 3.97Å; V181-L206 HydrophobicContact CG1-CD1 3.88Å; V181-L206 HydrophobicContact CG2-CB 3.9Å; V181-L206 HydrophobicContact CG2-CD1 4.33Å; V202-L206 HydrophobicContact CG1-CD1 3.79Å; V202-L206 HydrophobicContact CG1-CG 4.49Å; V202-L206 PolarHBondContact O-N 3.05Å; V203-L206 PolarHBondContact O-N 3.38Å; L206-R208 VanDerWaalsContact C-N 3.27Å; L206-R208 PolarHBondContact O-N 3.05Å; L206-L286 HydrophobicContact CD2-CD1 4.34Å; L206-F297 HydrophobicContact CD1-CE1 4.14Å; L206-F297 HydrophobicContact CD1-CZ 4.27Å; L206-V324 HydrophobicContact CD1-CG1 4.37Å; L206-V324 HydrophobicContact CD2-CG1 3.51Å; L206-L326 HydrophobicContact CD2-CD1 4.01Å; L206-L326 HydrophobicContact CG-CD1 4.12Å
207	L	87.8	Confident	77	Confident	23 Å²	23	69.4 Å²	69.4	12%	0.12	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	28.6	174.3	-59.1	179.1	0	0	0	113.2	L177 P178 V181 V203 F259	L177-L207 HydrophobicContact CD2-CD2 4.12Å; L177-L207 HydrophobicContact CG-CD2 3.91Å; P178-L207 HydrophobicContact CB-CD1 4.09Å; P178-L207 HydrophobicContact CB-CD2 4.43Å; P178-L207 HydrophobicContact CG-CD1 4.24Å; P178-L207 HydrophobicContact CG-CD2 4.11Å; V181-L207 HydrophobicContact CG2-CD2 4.12Å; V203-L207 HydrophobicContact CG1-CD1 3.76Å; V203-L207 HydrophobicContact CG1-CG 4.43Å; V203-L207 WeakPolarHBondContact O-CB 3.37Å; V203-L207 WeakPolarHBondContact O-CG 3.41Å; V203-L207 PolarHBondContact O-N 2.67Å; L207-F259 WeakPolarHBondContact O-CE2 3.18Å
208	R	85.4	Confident	74.4	Confident	32 Å²	32	70.3 Å²	70.3	12%	0.121	33%	0.332	C	S	.	.	S	Bend	trans	-81.2	161.8	169	-78.1	-142	167.4	-146.6	-5	111.7	L121 Y204 T205 L206 H210	L121-R208 WeakPolarHBondContact O-CD 3.07Å; L121-R208 PolarHBondContact O-NH1 3.35Å; Y204-R208 VanDerWaalsContact O-CG 3.29Å; Y204-R208 WeakPolarHBondContact O-CG 3.43Å; Y204-R208 PolarHBondContact OH-NH2 3.19Å; T205-R208 WeakPolarHBondContact O-CB 3.23Å; T205-R208 PolarHBondContact O-N 3.23Å; L206-R208 VanDerWaalsContact C-N 3.27Å; L206-R208 PolarHBondContact O-N 3.05Å; R208-H210 PolarHBondContact O-CD2 2.95Å; R208-H210 VanDerWaalsContact O-CD2 3.28Å; R208-H210 PolarHBondContact O-N 3.18Å
209	K	79.9	Confident	71.8	Confident	100 Å²	100	76.3 Å²	76.3	44%	0.435	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-67.8	131.3	-178.2	-168.1	156.9	-167.8	153.5	0	111.2	W123 D258	W123-K209 PolarHBondContact N-O 2.88Å; K209-D258 IonicContact NZ-OD2 2.75Å; K209-D258 PolarHBondContact NZ-OD2 3.41Å
210	H	85.3	Confident	69.3	Low	12 Å²	12	85 Å²	85	6%	0.056	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136.6	171.6	-67.3	-106.4	0	0	0	110.3	D111 W123 R208 L312	D111-H210 IonicContact OD2-CE1 2.63Å; D111-H210 PolarHBondContact OD2-CE1 2.96Å; D111-H210 IonicContact OD2-CG 2.68Å; D111-H210 IonicContact OD2-ND1 3.72Å; D111-H210 PolarHBondContact OD2-ND1 3.44Å; W123-H210 HydrophobicContact CB-CB 4.36Å; W123-H210 AromaticContact CD1-CE1 3.71Å; W123-H210 AromaticContact CD1-NE2 3.53Å; W123-H210 AromaticContact CG-CE1 3.57Å; W123-H210 AromaticContact CG-ND1 3.92Å; W123-H210 AromaticContact CG-NE2 3.86Å; R208-H210 PolarHBondContact O-CD2 2.95Å; R208-H210 VanDerWaalsContact O-CD2 3.28Å; R208-H210 PolarHBondContact O-N 3.18Å; H210-L312 VanDerWaalsContact CE1-CD1 3.42Å; H210-L312 WeakPolarHBondContact CE1-CD1 3.36Å
211	R	80.3	Confident	66.7	Low	113 Å²	113	81.2 Å²	81.2	43%	0.426	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	93.6	-174.7	-176.9	173.3	173	168.5	-4.1	110.8	E122 W123 E125	E122-R211 WeakPolarHBondContact OE2-CD 3.42Å; E122-R211 IonicContact OE2-CZ 3.59Å; E122-R211 IonicContact OE2-NH1 3.2Å; E122-R211 PolarHBondContact OE2-NH1 3.41Å; W123-R211 WeakPolarHBondContact O-CB 3.39Å; W123-R211 PolarHBondContact O-N 2.94Å; E125-R211 PolarHBondContact N-O 3.41Å
212	H	79.7	Confident	64.5	Low	24 Å²	24	82.8 Å²	82.8	11%	0.111	40%	0.399	C	S	.	.			trans	-76.2	150.7	178.1	-60.9	-45	0	0	0	113.3	E109 T214 A311 L312 T313 E314	E109-H212 IonicContact OE1-CE1 2.73Å; E109-H212 PolarHBondContact OE1-CE1 3.01Å; E109-H212 IonicContact OE1-ND1 3.77Å; E109-H212 PolarHBondContact OE1-ND1 2.76Å; H212-T214 PolarHBondContact O-N 2.98Å; H212-A311 PolarHBondContact NE2-O 3.01Å; H212-L312 PolarHBondContact CE1-O 3.43Å; H212-T313 VanDerWaalsContact CE1-C 3.5Å; H212-T313 VanDerWaalsContact NE2-C 3.28Å; H212-T313 PolarHBondContact NE2-O 2.94Å; H212-E314 HydrophobicContact CB-CB 4.11Å; H212-E314 HydrophobicContact CB-CG 4.01Å; H212-E314 PolarHBondContact CE1-N 3.31Å
213	Q	67.8	Low	62.4	Low	41 Å²	41	86.3 Å²	86.3	19%	0.192	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	47.2	-173.3	-166.6	56.4	36.3	0	0	113.3	E125 G140 W143	E125-Q213 PolarHBondContact OE2-N 3.14Å; G140-Q213 PolarHBondContact O-NE2 2.9Å; G140-Q213 PolarHBondContact O-OE1 3.33Å; W143-Q213 HydrophobicContact CZ2-CB 3.85Å; W143-Q213 HydrophobicContact CZ2-CG 4.39Å
214	T	55.7	Low	60.1	Low	69 Å²	69	89.9 Å²	89.9	42%	0.423	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-14.2	180	54.3	0	0	0	0	114.2	H212 K216 E314	H212-T214 PolarHBondContact O-N 2.98Å; T214-K216 PolarHBondContact O-N 2.91Å; T214-E314 HydrophobicContact CG2-CG 3.69Å; T214-E314 WeakPolarHBondContact CG2-OE1 3.49Å
215	K	41.9	Very low	58	Low	157 Å²	157	90.8 Å²	90.8	68%	0.683	46%	0.456	S	S	*	.			trans	-78.1	101.6	177.7	-75.6	179.4	-179.4	170.1	0	111.7	S217	K215-S217 PolarHBondContact O-N 2.91Å
216	K	40.1	Very low	55.8	Low	190 Å²	190	93.6 Å²	93.6	83%	0.826	49%	0.486	S	S	*	.			trans	-55.3	120.8	143.9	-79.2	-171.8	173.7	-171.2	0	107.5	T214 N218	T214-K216 PolarHBondContact O-N 2.91Å; K216-N218 PolarHBondContact O-N 2.7Å
217	S	33.4	Very low	53.6	Low	74 Å²	74	101.4 Å²	101.4	52%	0.517	52%	0.52	S	S	.	.			trans	-59.1	127.1	165.2	49.2	0	0	0	0	108.9	K215 L219	K215-S217 PolarHBondContact O-N 2.91Å; S217-L219 PolarHBondContact O-N 3.06Å
218	N	33.5	Very low	51.2	Low	162 Å²	162	104.7 Å²	104.7	87%	0.866	55%	0.545	S	S	*	.			trans	-73.5	40	179.1	-76.1	-33.7	0	0	0	113.2	K216 R220	K216-N218 PolarHBondContact O-N 2.7Å; N218-R220 PolarHBondContact O-N 3.16Å
219	L	33.3	Very low	49	Very low	152 Å²	152	108.6 Å²	108.6	80%	0.796	57%	0.572	S	S	*	*			trans	-89	79.3	169.5	-84.6	166.6	0	0	0	109.9	S217 S221	S217-L219 PolarHBondContact O-N 3.06Å; L219-S221 PolarHBondContact O-N 2.9Å
220	R	34.8	Very low	47.1	Very low	228 Å²	228	109.2 Å²	109.2	86%	0.86	59%	0.589	S	S	*	*			trans	24.5	94.5	150.1	-64.1	177	175.8	166.5	-2.1	116.7	N218	N218-R220 PolarHBondContact O-N 3.16Å
221	S	31.8	Very low	44.8	Very low	85 Å²	85	113.9 Å²	113.9	59%	0.594	62%	0.623	S	S	*	*			trans	-80.3	123.7	138.7	178.3	0	0	0	0	108	L219 A223	L219-S221 PolarHBondContact O-N 2.9Å; S221-A223 PolarHBondContact O-N 3.25Å; S221-A223 VanDerWaalsContact O-N 3.15Å; S221-A223 PolarHBondContact OG-N 3.43Å
222	L	42.2	Very low	42.6	Very low	138 Å²	138	112.8 Å²	112.8	72%	0.723	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-67.1	-7.9	177.8	-81.3	164.3	0	0	0	113.4	D224 I225	L222-D224 VanDerWaalsContact C-N 3.32Å; L222-D224 PolarHBondContact O-N 3.42Å; L222-I225 HydrophobicContact CD2-CD1 3.76Å
223	A	45.5	Very low	40.6	Very low	74 Å²	74	116.6 Å²	116.6	61%	0.612	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-69.8	-19.5	-177.6	0	0	0	0	0	115.1	S221	S221-A223 PolarHBondContact O-N 3.25Å; S221-A223 VanDerWaalsContact O-N 3.15Å; S221-A223 PolarHBondContact OG-N 3.43Å
224	D	39.9	Very low	39.1	Very low	110 Å²	110	126.7 Å²	126.7	59%	0.588	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-91.5	-4.1	-176.2	-78	-36	0	0	0	114.5	L222 G226 K227	L222-D224 VanDerWaalsContact C-N 3.32Å; L222-D224 PolarHBondContact O-N 3.42Å; D224-G226 VanDerWaalsContact C-N 3.26Å; D224-G226 PolarHBondContact O-N 3.27Å; D224-K227 PolarHBondContact O-N 2.72Å
225	I	44.4	Very low	38	Very low	114 Å²	114	130.2 Å²	130.2	59%	0.585	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-67.2	-28.4	174.5	-64.2	-179.8	0	0	0	111.5	L222 K227 S228	L222-I225 HydrophobicContact CD2-CD1 3.76Å; I225-K227 VanDerWaalsContact C-N 3.27Å; I225-K227 PolarHBondContact O-N 2.71Å; I225-S228 PolarHBondContact O-OG 2.9Å
226	G	41.4	Very low	37.5	Very low	63 Å²	63	132.3 Å²	132.3	65%	0.649	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-72.2	-10.8	-178.6	0	0	0	0	0	115.7	D224	D224-G226 VanDerWaalsContact C-N 3.26Å; D224-G226 PolarHBondContact O-N 3.27Å
227	K	42.4	Very low	37	Very low	168 Å²	168	128.8 Å²	128.8	73%	0.73	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-105.8	-4.6	-173.2	-71.9	178.8	-179	168.1	0	115	D224 I225	D224-K227 PolarHBondContact O-N 2.72Å; I225-K227 VanDerWaalsContact C-N 3.27Å; I225-K227 PolarHBondContact O-N 2.71Å
228	S	37.1	Very low	36.8	Very low	92 Å²	92	133.2 Å²	133.2	64%	0.643	75%	0.746	S	S	*	*	S	Bend	trans	-92.5	8.1	-180	62.2	0	0	0	0	114.9	I225	I225-S228 PolarHBondContact O-OG 2.9Å
229	V	37.9	Very low	36.8	Very low	114 Å²	114	134.5 Å²	134.5	69%	0.691	75%	0.747	S	S	*	*	S	Bend	trans	-92.7	-13.5	-176.9	-165.5	0	0	0	0	112.7	S231	V229-S231 PolarHBondContact O-N 2.86Å
230	S	40.4	Very low	36.4	Very low	113 Å²	113	135.4 Å²	135.4	79%	0.79	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	22.6	-177.6	-50.9	0	0	0	0	114.6
231	S	36.7	Very low	36.1	Very low	110 Å²	110	131.2 Å²	131.2	77%	0.769	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.9	28.4	178.3	-59.2	0	0	0	0	113.5	V229 S233	V229-S231 PolarHBondContact O-N 2.86Å; S231-S233 PolarHBondContact O-N 2.8Å
232	A	34.8	Very low	35.9	Very low	90 Å²	90	130.9 Å²	130.9	74%	0.744	75%	0.751	S	S	*	*			trans	-98.7	56.8	175.8	0	0	0	0	0	112.1
233	S	37.2	Very low	35.3	Very low	105 Å²	105	129.3 Å²	129.3	73%	0.734	75%	0.752	S	S	*	*			trans	-148.2	52.4	175.9	69.2	0	0	0	0	112.7	S231	S231-S233 PolarHBondContact O-N 2.8Å
234	R	37.4	Very low	34.7	Very low	252 Å²	252	132 Å²	132	95%	0.951	76%	0.764	S	S	*	*			trans	-162.4	53.7	165.4	-107.6	173.6	-131.3	-170.8	2.5	110.4
235	L	32.7	Very low	34.2	Very low	144 Å²	144	132.4 Å²	132.4	75%	0.754	77%	0.77	S	S	*	*			trans	-98.9	159.3	161.4	-83.3	163.8	0	0	0	108.7
236	F	30.8	Very low	33.9	Very low	201 Å²	201	133.9 Å²	133.9	88%	0.882	78%	0.784	S	S	*	*			trans	73.8	88	-173	-41.8	-66.3	0	0	0	113.6
237	S	29.5	Very low	33.2	Very low	116 Å²	116	136.8 Å²	136.8	81%	0.811	79%	0.79	S	S	*	*	S	Bend		-147.4	140.5	92	48.7	0	0	0	0	116
238	N	29.2	Very low	32.7	Very low	167 Å²	167	137.7 Å²	137.7	89%	0.893	80%	0.796	S	S	*	*			trans	59.8	109.6	158.3	-63.5	8.4	0	0	0	121.2
239	Q	32.7	Very low	32.4	Very low	188 Å²	188	144.7 Å²	144.7	88%	0.879	81%	0.809	S	S	*	*			trans	-100.9	132.9	166.6	159.3	-171.6	49.3	0	0	109
240	E	26.2	Very low	31.8	Very low	172 Å²	172	145.8 Å²	145.8	80%	0.804	81%	0.81	S	S	*	*			trans	-172	142.5	154	-84	-158.7	175.4	0	0	106.1
241	N	28.5	Very low	31.4	Very low	139 Å²	139	148.8 Å²	148.8	74%	0.743	82%	0.817	S	S	*	*			cis	-153.2	139.6	-9.6	-101.5	-40	0	0	0	107.6
242	G	27.2	Very low	31.2	Very low	78 Å²	78	148.8 Å²	148.8	80%	0.804	81%	0.812	S	S	*	*			trans	159.2	106.5	176.9	0	0	0	0	0	114.1
243	S	29.3	Very low	31.1	Very low	106 Å²	106	148.6 Å²	148.6	74%	0.741	81%	0.806	S	S	*	*			trans	-74.9	149.4	-176.6	48.5	0	0	0	0	113.6	T245	S243-T245 PolarHBondContact O-N 2.85Å
244	P	33.5	Very low	30.9	Very low	131 Å²	131	150.3 Å²	150.3	85%	0.851	81%	0.807	S	S	*	*			trans	-85.3	109.7	174.6	32.6	-30.8	0	0	0	110.9
245	T	29.2	Very low	31.2	Very low	118 Å²	118	141.1 Å²	141.1	72%	0.724	78%	0.781	S	S	*	*			trans	-103.7	118.7	162.8	43.3	0	0	0	0	110.6	S243 T247	S243-T245 PolarHBondContact O-N 2.85Å; T245-T247 PolarHBondContact O-N 3.12Å
246	T	38.6	Very low	31.8	Very low	144 Å²	144	139.5 Å²	139.5	88%	0.883	77%	0.772	S	S	*	*			trans	-61.7	118.4	174	48	0	0	0	0	110.6
247	T	26.7	Very low	32.1	Very low	124 Å²	124	134.9 Å²	134.9	76%	0.761	77%	0.765	S	S	*	*			trans	-131.3	141.2	163.3	42.6	0	0	0	0	109.9	T245 R249	T245-T247 PolarHBondContact O-N 3.12Å; T247-R249 PolarHBondContact O-N 2.86Å
248	H	30.6	Very low	32.8	Very low	188 Å²	188	134.3 Å²	134.3	87%	0.87	75%	0.753	S	S	*	*			trans	-60.8	125.4	-175.5	-76.3	-121	0	0	0	110.8	N250	H248-N250 PolarHBondContact O-N 2.96Å
249	R	30.7	Very low	33.9	Very low	239 Å²	239	129.7 Å²	129.7	90%	0.902	73%	0.725	S	S	*	*			trans	-79.3	109.9	161.3	-89.5	-173.9	167.7	176.4	-4.4	108.8	T247	T247-R249 PolarHBondContact O-N 2.86Å
250	N	25.3	Very low	34.9	Very low	136 Å²	136	124 Å²	124	73%	0.727	71%	0.706	S	S	*	*			trans	-56	137.8	171.5	-72.2	-22.4	0	0	0	110.9	H248 T252	H248-N250 PolarHBondContact O-N 2.96Å; N250-T252 VanDerWaalsContact C-N 3.28Å; N250-T252 PolarHBondContact O-N 2.92Å
251	L	33.6	Very low	36.2	Very low	177 Å²	177	121.5 Å²	121.5	93%	0.927	70%	0.698	S	S	*	*	S	Bend	trans	-74.9	82	166.7	-81.9	73.9	0	0	0	109.3
252	T	30.9	Very low	37.6	Very low	109 Å²	109	122.8 Å²	122.8	67%	0.669	70%	0.697	S	S	*	*			trans	-141.9	91.4	162	51.8	0	0	0	0	108.4	N250 N254	N250-T252 VanDerWaalsContact C-N 3.28Å; N250-T252 PolarHBondContact O-N 2.92Å; T252-N254 PolarHBondContact O-N 2.96Å
253	S	32.8	Very low	39.3	Very low	87 Å²	87	121.3 Å²	121.3	61%	0.608	67%	0.674	S	S	*	*			trans	-71.5	98.4	175.2	30.4	0	0	0	0	110.5	S255	S253-S255 VanDerWaalsContact C-N 3.29Å; S253-S255 PolarHBondContact O-N 3.22Å
254	N	33.6	Very low	41.1	Very low	141 Å²	141	120.8 Å²	120.8	75%	0.754	66%	0.659	S	S	*	*			trans	-71.4	88.9	164.2	-80.7	-1.9	0	0	0	108.9	T252 L256	T252-N254 PolarHBondContact O-N 2.96Å; N254-L256 PolarHBondContact O-N 2.96Å
255	S	43.4	Very low	42.4	Very low	59 Å²	59	122.5 Å²	122.5	41%	0.413	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.1	15	-170.7	70.1	0	0	0	0	115.8	S253	S253-S255 VanDerWaalsContact C-N 3.29Å; S253-S255 PolarHBondContact O-N 3.22Å
256	L	45.2	Very low	44.1	Very low	110 Å²	110	121.5 Å²	121.5	58%	0.576	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.8	-8.7	-168.1	-81.1	163.8	0	0	0	114.7	Y204 N254	Y204-L256 HydrophobicContact CD2-CD2 4.49Å; N254-L256 PolarHBondContact O-N 2.96Å
257	S	37.2	Very low	45.4	Very low	104 Å²	104	115.1 Å²	115.1	73%	0.727	60%	0.604	S	S	*	*	S	Bend	trans	-106.2	21.2	-163.2	64.5	0	0	0	0	116.3
258	D	45.1	Very low	47.2	Very low	104 Å²	104	114.4 Å²	114.4	56%	0.556	60%	0.595	S	S	*	*			trans	-114.8	0.5	-171.3	-113.9	18.2	0	0	0	114.7	K209 S260	K209-D258 IonicContact NZ-OD2 2.75Å; K209-D258 PolarHBondContact NZ-OD2 3.41Å; D258-S260 VanDerWaalsContact C-N 3.33Å; D258-S260 PolarHBondContact O-N 3.24Å
259	F	52.8	Low	48.7	Very low	69 Å²	69	112.8 Å²	112.8	30%	0.303	59%	0.585	S	S	.	*			trans	-78.6	81.4	172.9	-74.5	-85.2	0	0	0	111	L177 L207	L177-F259 HydrophobicContact CD2-CD1 4.32Å; L177-F259 HydrophobicContact CD2-CE1 3.71Å; L177-F259 HydrophobicContact CD2-CZ 4.28Å; L207-F259 WeakPolarHBondContact O-CE2 3.18Å
260	S	53.1	Low	50.5	Low	69 Å²	69	102.8 Å²	102.8	48%	0.483	55%	0.549	S	S	.	.			trans	-81.8	131.3	166.9	151.4	0	0	0	0	110.3	D258 K262	D258-S260 VanDerWaalsContact C-N 3.33Å; D258-S260 PolarHBondContact O-N 3.24Å; S260-K262 PolarHBondContact O-N 2.74Å; S260-K262 PolarHBondContact OG-N 2.92Å; S260-K262 PolarHBondContact OG-O 3.48Å
261	D	52.9	Low	52.5	Low	120 Å²	120	105.1 Å²	105.1	64%	0.642	55%	0.553	S	S	*	*	S	Bend	trans	-61.9	-12.1	175.9	-59	-41.4	0	0	0	114
262	K	59	Low	54.4	Low	165 Å²	165	97.3 Å²	97.3	72%	0.717	51%	0.512	S	S	*	.	S	Bend	trans	-93	134	177.5	-65.5	179.5	-178.8	174.8	0	111	S260	S260-K262 PolarHBondContact O-N 2.74Å; S260-K262 PolarHBondContact OG-N 2.92Å; S260-K262 PolarHBondContact OG-O 3.48Å
263	P	62.4	Low	56.4	Low	48 Å²	48	96 Å²	96	31%	0.312	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-61.6	144.9	179.1	26.1	-34.8	0	0	0	111.8	Q267 L268 P316	P263-Q267 VanDerWaalsContact CA-OE1 3.29Å; P263-L268 HydrophobicContact CG-CD1 4.34Å; P263-P316 HydrophobicContact CB-CB 4.07Å
264	E	66.6	Low	58.3	Low	94 Å²	94	101.2 Å²	101.2	44%	0.439	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-67.5	148.3	-179.7	-69.3	-166.3	160.2	0	0	111.5	D266 Q267 L268	E264-D266 PolarHBondContact O-N 3.41Å; E264-Q267 HydrophobicContact CB-CG 4.32Å; E264-Q267 PolarHBondContact O-N 2.95Å; E264-L268 PolarHBondContact O-N 3.32Å
265	K	61.8	Low	60.2	Low	168 Å²	168	100.6 Å²	100.6	73%	0.73	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.4	178.8	-73	-177.3	179.2	175.3	0	113.7	K269	K265-K269 WeakPolarHBondContact O-CD 3.31Å; K265-K269 WeakPolarHBondContact O-CG 3.37Å
266	D	63.2	Low	61.7	Low	97 Å²	97	98.8 Å²	98.8	52%	0.519	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-33.9	-179.5	-66.6	-21.2	0	0	0	112.1	E264 L268 K269 N270	E264-D266 PolarHBondContact O-N 3.41Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 3.28Å; D266-K269 PolarHBondContact O-N 3.48Å; D266-K269 VanDerWaalsContact O-N 3.15Å; D266-N270 PolarHBondContact O-N 3.49Å
267	Q	67.4	Low	63.1	Low	10 Å²	10	96.1 Å²	96.1	5%	0.047	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-56.7	-46.5	166.6	-69.4	174	-42.5	0	0	110.6	P263 E264 K269 N270 G310 T313	P263-Q267 VanDerWaalsContact CA-OE1 3.29Å; E264-Q267 HydrophobicContact CB-CG 4.32Å; E264-Q267 PolarHBondContact O-N 2.95Å; Q267-K269 PolarHBondContact O-N 2.82Å; Q267-N270 VanDerWaalsContact O-CB 3.27Å; Q267-N270 WeakPolarHBondContact O-CB 2.85Å; Q267-N270 PolarHBondContact O-N 3.39Å; Q267-N270 VanDerWaalsContact O-N 3.1Å; Q267-G310 PolarHBondContact NE2-O 3.15Å; Q267-T313 PolarHBondContact NE2-O 2.8Å
268	L	64.4	Low	64.7	Low	109 Å²	109	103.1 Å²	103.1	57%	0.571	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-62.3	-23	177.3	-79.8	154.1	0	0	0	114.4	P263 E264 D266	P263-L268 HydrophobicContact CG-CD1 4.34Å; E264-L268 PolarHBondContact O-N 3.32Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 3.28Å
269	K	60.8	Low	66.4	Low	154 Å²	154	104.5 Å²	104.5	67%	0.67	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-94.4	-2.3	177.8	-72.8	171.8	-174.3	168.5	0	113.2	K265 D266 Q267 K271	K265-K269 WeakPolarHBondContact O-CD 3.31Å; K265-K269 WeakPolarHBondContact O-CG 3.37Å; D266-K269 PolarHBondContact O-N 3.48Å; D266-K269 VanDerWaalsContact O-N 3.15Å; Q267-K269 PolarHBondContact O-N 2.82Å; K269-K271 PolarHBondContact O-N 3.18Å
270	N	68.5	Low	67.9	Low	28 Å²	28	101.7 Å²	101.7	15%	0.15	48%	0.483	C	S	.	.			trans	-65.5	124.7	-174.2	-165.6	-17.3	0	0	0	111.1	D266 Q267 F272 M273 E314	D266-N270 PolarHBondContact O-N 3.49Å; Q267-N270 VanDerWaalsContact O-CB 3.27Å; Q267-N270 WeakPolarHBondContact O-CB 2.85Å; Q267-N270 PolarHBondContact O-N 3.39Å; Q267-N270 VanDerWaalsContact O-N 3.1Å; N270-F272 PolarHBondContact O-N 2.89Å; N270-F272 WeakPolarHBondContact OD1-CB 3.17Å; N270-F272 PolarHBondContact OD1-N 3Å; N270-M273 PolarHBondContact O-N 2.78Å; N270-E314 WeakPolarHBondContact ND2-CG 3.33Å; N270-E314 PolarHBondContact ND2-OE1 3.43Å
271	K	68.8	Low	69.7	Low	185 Å²	185	99.8 Å²	99.8	80%	0.804	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-65.1	-20.8	177.8	-66.1	-177.4	-179.3	-179.8	0	112.4	K269 M273 K274	K269-K271 PolarHBondContact O-N 3.18Å; K271-M273 VanDerWaalsContact C-N 3.27Å; K271-M273 PolarHBondContact O-N 2.87Å; K271-K274 PolarHBondContact O-N 2.96Å
272	F	72.8	Confident	71.5	Confident	13 Å²	13	94.1 Å²	94.1	6%	0.057	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-64.5	-27.8	178.7	-165.4	-96.9	0	0	0	113	F107 R128 I130 N270 K274 K275 L276 V315	F107-F272 HydrophobicContact CD2-CE1 4.32Å; F107-F272 AromaticContact CE2-CE1 3.76Å; F107-F272 HydrophobicContact CE2-CE1 3.76Å; F107-F272 HydrophobicContact CE2-CZ 4.21Å; F107-F272 HydrophobicContact CZ-CE1 4.28Å; R128-F272 VanDerWaalsContact NH2-CE2 3.3Å; I130-F272 HydrophobicContact CD1-CE1 3.85Å; I130-F272 HydrophobicContact CD1-CE2 4.38Å; I130-F272 HydrophobicContact CD1-CZ 3.47Å; I130-F272 VanDerWaalsContact CD1-CZ 3.47Å; I130-F272 HydrophobicContact CG1-CZ 4.39Å; N270-F272 PolarHBondContact O-N 2.89Å; N270-F272 WeakPolarHBondContact OD1-CB 3.17Å; N270-F272 PolarHBondContact OD1-N 3Å; F272-K274 PolarHBondContact O-N 3.32Å; F272-K275 HydrophobicContact CD2-CD 3.83Å; F272-K275 HydrophobicContact CE2-CD 3.85Å; F272-K275 WeakPolarHBondContact O-CB 3.36Å; F272-K275 PolarHBondContact O-N 3Å; F272-L276 HydrophobicContact CD1-CD1 4.43Å; F272-L276 HydrophobicContact CE1-CD1 3.91Å; F272-V315 HydrophobicContact CD1-CG2 3.91Å
273	M	73.7	Confident	73.1	Confident	81 Å²	81	86.4 Å²	86.4	40%	0.399	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-50.1	-30.7	173.8	-88	-65.4	-85.7	0	0	113.9	N270 K271 K275 L276 V315 P316	N270-M273 PolarHBondContact O-N 2.78Å; K271-M273 VanDerWaalsContact C-N 3.27Å; K271-M273 PolarHBondContact O-N 2.87Å; M273-K275 PolarHBondContact O-N 3.03Å; M273-L276 PolarHBondContact O-N 3.41Å; M273-V315 HydrophobicContact CG-CG1 3.72Å; M273-V315 HydrophobicContact SD-CG1 3.16Å; M273-V315 WeakPolarHBondContact SD-CG1 3.34Å; M273-P316 HydrophobicContact CE-CG 4.24Å; M273-P316 HydrophobicContact SD-CG 4.23Å
274	K	72	Confident	74.6	Confident	198 Å²	198	84.2 Å²	84.2	86%	0.861	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-72.9	-9	179.4	-62.5	-170.2	177.2	-169.4	0	114.3	K271 F272	K271-K274 PolarHBondContact O-N 2.96Å; F272-K274 PolarHBondContact O-N 3.32Å
275	K	73.8	Confident	76	Confident	127 Å²	127	79.8 Å²	79.8	55%	0.552	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-95.4	-19.5	177.6	-64.5	-175.9	176.4	-177.4	0	113.4	E134 F272 M273	E134-K275 IonicContact OE1-NZ 3.18Å; F272-K275 HydrophobicContact CD2-CD 3.83Å; F272-K275 HydrophobicContact CE2-CD 3.85Å; F272-K275 WeakPolarHBondContact O-CB 3.36Å; F272-K275 PolarHBondContact O-N 3Å; M273-K275 PolarHBondContact O-N 3.03Å
276	L	74.9	Confident	77.6	Confident	22 Å²	22	71.9 Å²	71.9	12%	0.115	34%	0.335	C	S	.	.	S	Bend	trans	-84.5	145.6	179.1	-110.4	61.7	0	0	0	110.8	F107 I130 F272 M273 A280 V317	F107-L276 HydrophobicContact CB-CD1 4.47Å; F107-L276 HydrophobicContact CB-CD2 4.09Å; F107-L276 HydrophobicContact CD2-CD1 4.22Å; F107-L276 HydrophobicContact CG-CD1 4.44Å; F107-L276 HydrophobicContact CG-CD2 4.29Å; I130-L276 HydrophobicContact CD1-CD1 3.57Å; I130-L276 HydrophobicContact CG1-CD1 3.97Å; F272-L276 HydrophobicContact CD1-CD1 4.43Å; F272-L276 HydrophobicContact CE1-CD1 3.91Å; M273-L276 PolarHBondContact O-N 3.41Å; L276-A280 HydrophobicContact CB-CB 4.44Å; L276-A280 HydrophobicContact CD2-CB 3.77Å; L276-A280 HydrophobicContact CG-CB 3.95Å; L276-V317 HydrophobicContact CD2-CG2 3.55Å
277	P	74.4	Confident	79.1	Confident	53 Å²	53	67.5 Å²	67.5	34%	0.344	31%	0.311	S	S	.	.			trans	-65.2	158.3	164.4	29.8	-33.4	0	0	0	110.4	Q105 D279 A280	Q105-P277 HydrophobicContact CB-CG 3.95Å; P277-D279 VanDerWaalsContact C-N 3.26Å; P277-D279 PolarHBondContact O-N 3.06Å; P277-A280 HydrophobicContact CG-CB 4.16Å; P277-A280 PolarHBondContact O-N 3.43Å
278	R	70.4	Confident	80.3	Confident	251 Å²	251	67.3 Å²	67.3	95%	0.947	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.6	-174.3	-66.9	-175.5	178.8	-174.8	-0.2	113.6
279	D	81.1	Confident	81.5	Confident	133 Å²	133	64.2 Å²	64.2	71%	0.711	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	32.5	-176.7	-43.6	-52.6	0	0	0	111.4	P104 P277	P104-D279 WeakPolarHBondContact CB-O 3.44Å; P277-D279 VanDerWaalsContact C-N 3.26Å; P277-D279 PolarHBondContact O-N 3.06Å
280	A	84.6	Confident	82.9	Confident	10 Å²	10	57 Å²	57	8%	0.083	26%	0.263	C	S	.	.			trans	-71.4	143.4	177.5	0	0	0	0	0	111.8	Q105 L276 P277 V317	Q105-A280 WeakPolarHBondContact O-CA 3.4Å; L276-A280 HydrophobicContact CB-CB 4.44Å; L276-A280 HydrophobicContact CD2-CB 3.77Å; L276-A280 HydrophobicContact CG-CB 3.95Å; P277-A280 HydrophobicContact CG-CB 4.16Å; P277-A280 PolarHBondContact O-N 3.43Å; A280-V317 HydrophobicContact CB-CG1 4.23Å; A280-V317 VanDerWaalsContact O-CG1 3.3Å; A280-V317 WeakPolarHBondContact O-CG1 3.49Å
281	E	90.5	Very high	83.8	Confident	30 Å²	30	61.3 Å²	61.3	14%	0.14	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	157.2	167.6	-70.3	-173.7	160.5	0	0	109.4	P104 Q105 L106 F107 A306 P318 R320 Y358	P104-E281 HydrophobicContact CB-CG 4.22Å; P104-E281 HydrophobicContact CG-CB 4.37Å; P104-E281 VanDerWaalsContact CG-CD 3.43Å; P104-E281 HydrophobicContact CG-CG 3.69Å; P104-E281 WeakPolarHBondContact CG-OE2 3.3Å; Q105-E281 PolarHBondContact O-N 3.4Å; Q105-E281 VanDerWaalsContact O-N 3.13Å; L106-E281 CarbonylContact C-O 3.57Å; L106-E281 VanDerWaalsContact CA-O 3.31Å; L106-E281 WeakPolarHBondContact CA-O 3.32Å; L106-E281 HydrophobicContact CD2-CB 3.91Å; F107-E281 PolarHBondContact N-O 2.81Å; E281-A306 HydrophobicContact CG-CB 3.97Å; E281-A306 WeakPolarHBondContact OE1-CB 3.34Å; E281-P318 CarbonylContact C-O 3.3Å; E281-P318 WeakPolarHBondContact CA-O 3.24Å; E281-R320 HydrophobicContact CB-CB 4.11Å; E281-R320 VanDerWaalsContact OE2-CB 3.29Å; E281-R320 WeakPolarHBondContact OE2-CB 3.33Å; E281-R320 WeakPolarHBondContact OE2-CD 3.29Å; E281-R320 VanDerWaalsContact OE2-CG 3.23Å; E281-R320 WeakPolarHBondContact OE2-CG 3.48Å; E281-Y358 PolarHBondContact OE2-OH 3.22Å
282	A	90.9	Very high	84.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	147.2	179.4	0	0	0	0	0	113.2	F107 T313 V317 P318 T319 R320 F321	F107-A282 CarbonylContact O-C 3.44Å; F107-A282 VanDerWaalsContact O-CA 3.27Å; F107-A282 WeakPolarHBondContact O-CA 3.05Å; A282-T313 HydrophobicContact CB-CG2 3.98Å; A282-V317 HydrophobicContact CB-CB 4.18Å; A282-V317 HydrophobicContact CB-CG1 3.96Å; A282-P318 PolarHBondContact N-O 2.82Å; A282-T319 WeakPolarHBondContact O-CA 3.32Å; A282-R320 PolarHBondContact O-N 2.93Å; A282-F321 PolarHBondContact O-N 3.35Å
283	S	93.3	Very high	85.4	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	111.7	169.3	-179.8	0	0	0	0	109.2	F107 T108 E109 F321	F107-S283 PolarHBondContact O-N 3.47Å; T108-S283 WeakPolarHBondContact CA-O 3.41Å; T108-S283 WeakPolarHBondContact CG2-O 3.11Å; E109-S283 PolarHBondContact N-O 2.68Å; S283-F321 WeakPolarHBondContact CA-O 3.49Å
284	N	93.8	Very high	86	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.5	-176.9	-66.9	98.5	0	0	0	111.1	L312 T313 T319 F321 M322 F323	N284-L312 HydrophobicContact CB-CD2 3.89Å; N284-L312 HydrophobicContact CB-CG 4.26Å; N284-L312 VanDerWaalsContact CG-CD2 3.5Å; N284-L312 WeakPolarHBondContact OD1-CD2 3.41Å; N284-T313 VanDerWaalsContact ND2-CG2 3.28Å; N284-T313 WeakPolarHBondContact ND2-CG2 3.28Å; N284-T319 WeakPolarHBondContact OD1-CG2 3.48Å; N284-T319 PolarHBondContact OD1-OG1 3.38Å; N284-F321 PolarHBondContact N-O 3.17Å; N284-M322 CarbonylContact O-C 3.57Å; N284-M322 WeakPolarHBondContact O-CA 3.36Å; N284-F323 PolarHBondContact O-N 2.54Å
285	V	95.6	Very high	86.8	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	110.1	-179.4	-173	0	0	0	0	108.3	T108 E109 L110 D111 V287 F323 I342 A343	T108-V285 HydrophobicContact CG2-CG2 3.95Å; E109-V285 PolarHBondContact O-N 3.39Å; L110-V285 WeakPolarHBondContact CA-O 3.49Å; L110-V285 HydrophobicContact CD1-CB 3.96Å; L110-V285 HydrophobicContact CD1-CG1 3.62Å; D111-V285 PolarHBondContact N-O 3.36Å; V285-V287 HydrophobicContact CG1-CG2 4.17Å; V285-F323 HydrophobicContact CG1-CB 4.49Å; V285-F323 HydrophobicContact CG1-CD1 3.95Å; V285-I342 HydrophobicContact CG1-CG2 3.63Å; V285-I342 HydrophobicContact CG2-CG2 4.28Å; V285-A343 HydrophobicContact CG2-CB 4.11Å
286	L	94.8	Very high	87.6	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.7	-175.6	-55.2	-172.9	0	0	0	110.1	D111 W123 L206 L312 F323 V324 L325	D111-L286 HydrophobicContact CB-CD2 3.78Å; W123-L286 HydrophobicContact CH2-CB 3.85Å; W123-L286 HydrophobicContact CZ2-CB 4.48Å; W123-L286 HydrophobicContact CZ3-CB 3.92Å; L206-L286 HydrophobicContact CD2-CD1 4.34Å; L286-L312 HydrophobicContact CD1-CD1 4.42Å; L286-L312 HydrophobicContact CD2-CD1 4.29Å; L286-F323 PolarHBondContact N-O 3.13Å; L286-V324 HydrophobicContact CB-CG2 4.44Å; L286-V324 HydrophobicContact CD1-CG2 4.36Å; L286-V324 WeakPolarHBondContact O-CA 3.47Å; L286-L325 PolarHBondContact O-N 3.33Å
287	V	95	Very high	88.4	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.03	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.9	-174.5	179.7	0	0	0	0	111.8	L110 D111 E112 L113 W123 V285 L325 Y335	L110-V287 HydrophobicContact CD1-CB 4.28Å; L110-V287 HydrophobicContact CD1-CG2 3.66Å; D111-V287 PolarHBondContact O-N 2.95Å; E112-V287 CarbonylContact C-O 3.6Å; E112-V287 VanDerWaalsContact CA-O 3.32Å; E112-V287 WeakPolarHBondContact CA-O 3.45Å; L113-V287 PolarHBondContact N-O 2.98Å; W123-V287 WeakPolarHBondContact CZ3-O 3.3Å; V285-V287 HydrophobicContact CG1-CG2 4.17Å; V287-L325 CarbonylContact C-O 3.6Å; V287-L325 WeakPolarHBondContact CA-O 3.44Å; V287-L325 HydrophobicContact CG2-CB 4.5Å; V287-Y335 VanDerWaalsContact CG1-O 3.27Å; V287-Y335 WeakPolarHBondContact CG1-O 3.39Å
288	G	92.1	Very high	89.3	Confident	5 Å²	5	45.3 Å²	45.3	5%	0.052	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	160.1	-178.2	0	0	0	0	0	116.4	L325 L326 G327	G288-L325 PolarHBondContact N-O 3.42Å; G288-L326 WeakPolarHBondContact O-CA 3.34Å; G288-G327 PolarHBondContact O-N 3.18Å
289	E	91.1	Very high	90.5	Very high	44 Å²	44	33.3 Å²	33.3	21%	0.206	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	138.1	166.1	-69	-165.8	141.2	0	0	111.1	G327 K329 G330 K331 S332 Y335	E289-G327 CarbonylContact C-O 3.59Å; E289-G327 WeakPolarHBondContact CA-O 3.48Å; E289-K329 HydrophobicContact CB-CG 4.32Å; E289-G330 PolarHBondContact OE1-N 3.26Å; E289-K331 PolarHBondContact OE1-N 3.31Å; E289-S332 VanDerWaalsContact CD-CB 3.46Å; E289-S332 WeakPolarHBondContact OE1-CA 3.38Å; E289-S332 PolarHBondContact OE1-N 3.19Å; E289-Y335 HydrophobicContact CG-CD2 3.92Å; E289-Y335 HydrophobicContact CG-CE2 4.11Å
290	V	89.4	Confident	91.1	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.024	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.6	171.9	-65.9	0	0	0	0	110.1	L113 T205 F292 L293 G327 P328 K329	L113-V290 HydrophobicContact CD2-CG1 4.04Å; T205-V290 HydrophobicContact CG2-CG1 4.08Å; V290-F292 HydrophobicContact CB-CD1 4.04Å; V290-F292 HydrophobicContact CB-CE1 3.69Å; V290-F292 HydrophobicContact CB-CZ 4Å; V290-F292 HydrophobicContact CG1-CE1 3.82Å; V290-F292 HydrophobicContact CG1-CZ 4.01Å; V290-F292 HydrophobicContact CG2-CE1 4.19Å; V290-F292 HydrophobicContact CG2-CE2 4.23Å; V290-F292 HydrophobicContact CG2-CZ 4.04Å; V290-L293 HydrophobicContact CG2-CB 3.82Å; V290-L293 HydrophobicContact CG2-CD1 3.51Å; V290-L293 HydrophobicContact CG2-CG 3.54Å; V290-G327 PolarHBondContact N-O 3.04Å; V290-P328 WeakPolarHBondContact O-CA 3.36Å; V290-K329 PolarHBondContact O-N 2.91Å
291	D	87.3	Confident	91.6	Very high	117 Å²	117	26.8 Å²	26.8	63%	0.626	14%	0.142	S	C	*	.	S	Bend	trans	-91.1	-18.3	-179.9	35.6	32	0	0	0	114.4	K329	D291-K329 HydrophobicContact CB-CD 4.01Å; D291-K329 IonicContact OD2-NZ 2.74Å; D291-K329 PolarHBondContact OD2-NZ 3.41Å
292	F	88.1	Confident	91.8	Very high	41 Å²	41	25.7 Å²	25.7	18%	0.18	14%	0.136	C	C	.	.	S	Bend	trans	-90.7	-4.7	-176.5	62	-99.5	0	0	0	114.8	L198 K201 V202 V290	L198-F292 HydrophobicContact CD2-CD2 4.25Å; K201-F292 HydrophobicContact CB-CD1 4.33Å; K201-F292 HydrophobicContact CB-CD2 4Å; K201-F292 HydrophobicContact CB-CE1 4.06Å; K201-F292 HydrophobicContact CB-CE2 3.72Å; K201-F292 HydrophobicContact CB-CG 4.3Å; K201-F292 HydrophobicContact CB-CZ 3.75Å; K201-F292 HydrophobicContact CD-CB 4.13Å; K201-F292 HydrophobicContact CD-CD1 4.28Å; K201-F292 HydrophobicContact CD-CD2 4.16Å; K201-F292 HydrophobicContact CD-CG 3.93Å; V202-F292 HydrophobicContact CG2-CE2 3.84Å; V202-F292 HydrophobicContact CG2-CZ 4.45Å; V290-F292 HydrophobicContact CB-CD1 4.04Å; V290-F292 HydrophobicContact CB-CE1 3.69Å; V290-F292 HydrophobicContact CB-CZ 4Å; V290-F292 HydrophobicContact CG1-CE1 3.82Å; V290-F292 HydrophobicContact CG1-CZ 4.01Å; V290-F292 HydrophobicContact CG2-CE1 4.19Å; V290-F292 HydrophobicContact CG2-CE2 4.23Å; V290-F292 HydrophobicContact CG2-CZ 4.04Å
293	L	88.1	Confident	91.9	Very high	10 Å²	10	25.8 Å²	25.8	5%	0.052	14%	0.137	C	C	.	.			trans	-98.9	126.8	175.3	-69.2	-178.9	0	0	0	110.8	L194 L198 V202 V290 F297 L326 P328	L194-L293 HydrophobicContact CD1-CD2 4Å; L198-L293 HydrophobicContact CD1-CD2 4.21Å; V202-L293 HydrophobicContact CG2-CD2 4.34Å; V290-L293 HydrophobicContact CG2-CB 3.82Å; V290-L293 HydrophobicContact CG2-CD1 3.51Å; V290-L293 HydrophobicContact CG2-CG 3.54Å; L293-F297 HydrophobicContact CD1-CB 3.78Å; L293-L326 HydrophobicContact CD1-CB 3.93Å; L293-P328 WeakPolarHBondContact O-CB 3.42Å
294	E	85.4	Confident	91.7	Very high	148 Å²	148	29.4 Å²	29.4	69%	0.692	15%	0.153	S	C	*	.	S	Bend	trans	-83	-31.6	171.1	-65	166.2	156.4	0	0	111.5	K195	K195-E294 IonicContact NZ-OE1 3.21Å; K195-E294 IonicContact NZ-OE2 3.19Å; K195-E294 PolarHBondContact NZ-OE2 3Å
295	T	87.6	Confident	91.5	Very high	85 Å²	85	35.8 Å²	35.8	52%	0.521	18%	0.183	S	C	.	.	S	Bend	trans	-122.2	145.9	-179.6	48.5	0	0	0	0	110.5	F297	T295-F297 PolarHBondContact O-N 3.28Å
296	P	90.7	Very high	91.2	Very high	47 Å²	47	37.1 Å²	37.1	31%	0.305	19%	0.194	S	C	.	.			trans	-68.2	127.5	179.9	26.8	-32.4	0	0	0	111.8	Y162 V298 L325 L326	Y162-P296 HydrophobicContact CE1-CB 4.1Å; Y162-P296 HydrophobicContact CE1-CG 3.61Å; P296-V298 HydrophobicContact CB-CG2 4.45Å; P296-L325 HydrophobicContact CB-CD1 4.49Å; P296-L326 CarbonylContact C-O 3.53Å; P296-L326 WeakPolarHBondContact CA-O 3.38Å
297	F	92.5	Very high	90.9	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.7	170	174.3	-81.7	0	0	0	108.4	I184 T185 Q188 L194 V202 L206 L293 T295 V324 L325 L326	I184-F297 HydrophobicContact CG2-CE1 4.18Å; I184-F297 HydrophobicContact CG2-CE2 4.38Å; I184-F297 HydrophobicContact CG2-CZ 3.56Å; T185-F297 HydrophobicContact CG2-CE2 4.22Å; T185-F297 HydrophobicContact CG2-CZ 4.33Å; Q188-F297 VanDerWaalsContact CD-CD2 3.48Å; Q188-F297 HydrophobicContact CG-CE2 4.43Å; L194-F297 HydrophobicContact CD2-CD2 4.4Å; L194-F297 HydrophobicContact CD2-CE2 4.26Å; V202-F297 HydrophobicContact CG1-CD2 4.12Å; V202-F297 HydrophobicContact CG1-CE1 4.37Å; V202-F297 HydrophobicContact CG1-CE2 3.75Å; V202-F297 HydrophobicContact CG1-CZ 3.87Å; L206-F297 HydrophobicContact CD1-CE1 4.14Å; L206-F297 HydrophobicContact CD1-CZ 4.27Å; L293-F297 HydrophobicContact CD1-CB 3.78Å; T295-F297 PolarHBondContact O-N 3.28Å; F297-V324 HydrophobicContact CD1-CG1 4.05Å; F297-V324 HydrophobicContact CE1-CB 4.31Å; F297-V324 HydrophobicContact CE1-CG1 3.77Å; F297-L325 WeakPolarHBondContact O-CA 3.35Å; F297-L326 HydrophobicContact CB-CB 4.23Å; F297-L326 HydrophobicContact CD1-CB 4.49Å; F297-L326 PolarHBondContact N-O 2.93Å; F297-L326 PolarHBondContact O-N 3.24Å
298	V	94.2	Very high	90.5	Very high	8 Å²	8	41.9 Å²	41.9	5%	0.048	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.4	-179	-174.1	0	0	0	0	110.9	Y162 T167 Q188 P296 F323 V324 L325	Y162-V298 HydrophobicContact CD1-CG2 3.68Å; Y162-V298 HydrophobicContact CE1-CG2 4.36Å; Y162-V298 HydrophobicContact CG-CG2 4.15Å; T167-V298 PolarHBondContact N-O 2.87Å; T167-V298 PolarHBondContact OG1-O 2.67Å; Q188-V298 PolarHBondContact NE2-O 2.94Å; Q188-V298 VanDerWaalsContact NE2-O 3.08Å; P296-V298 HydrophobicContact CB-CG2 4.45Å; V298-F323 HydrophobicContact CG1-CE2 4.05Å; V298-F323 HydrophobicContact CG1-CZ 4.2Å; V298-V324 WeakPolarHBondContact CA-O 3.37Å; V298-L325 HydrophobicContact CG2-CD1 3.76Å
299	A	94.1	Very high	90.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.7	173	0	0	0	0	0	111.8	T167 I184 F323 V324	T167-A299 WeakPolarHBondContact O-CA 3.32Å; I184-A299 HydrophobicContact CD1-CB 4.49Å; I184-A299 HydrophobicContact CG1-CB 4.49Å; I184-A299 HydrophobicContact CG2-CB 3.42Å; I184-A299 VanDerWaalsContact CG2-CB 3.42Å; A299-F323 CarbonylContact O-C 3.51Å; A299-F323 WeakPolarHBondContact O-CA 3.19Å; A299-V324 HydrophobicContact CB-CB 4.42Å; A299-V324 PolarHBondContact N-O 3.05Å; A299-V324 PolarHBondContact O-N 3.37Å
300	F	95.3	Very high	89.2	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127	164.4	-179.6	-86.3	0	0	0	109	T167 I168 L169 L170 F321 F323 M346 L366	T167-F300 PolarHBondContact O-N 3.22Å; I168-F300 WeakPolarHBondContact CA-O 3.32Å; I168-F300 HydrophobicContact CG1-CB 4.44Å; I168-F300 HydrophobicContact CG2-CD1 4.3Å; L169-F300 PolarHBondContact N-O 3.36Å; L170-F300 HydrophobicContact CD2-CD1 4.37Å; L170-F300 HydrophobicContact CD2-CE1 4.16Å; F300-F321 HydrophobicContact CE1-CD1 4.44Å; F300-F321 AromaticContact CZ-CD1 3.97Å; F300-F321 HydrophobicContact CZ-CD1 3.97Å; F300-F321 HydrophobicContact CZ-CE1 4.44Å; F300-F323 HydrophobicContact CB-CD2 4.27Å; F300-F323 HydrophobicContact CD2-CD2 4.13Å; F300-M346 HydrophobicContact CE2-SD 4.2Å; F300-M346 HydrophobicContact CZ-SD 4.42Å; F300-L366 HydrophobicContact CD1-CD1 3.78Å; F300-L366 HydrophobicContact CE1-CD1 3.76Å; F300-L366 HydrophobicContact CE1-CD2 4.29Å; F300-L366 HydrophobicContact CZ-CD1 4.47Å; F300-L366 HydrophobicContact CZ-CD2 4.41Å
301	V	94.4	Very high	88.3	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.7	-172.4	-179.6	0	0	0	0	110.4	L169 M172 I184 F321 M322	L169-V301 HydrophobicContact CB-CG2 4.42Å; L169-V301 CarbonylContact O-C 3.59Å; L169-V301 VanDerWaalsContact O-CA 3.31Å; L169-V301 WeakPolarHBondContact O-CA 3.43Å; M172-V301 HydrophobicContact CB-CG1 4.48Å; M172-V301 HydrophobicContact CE-CG1 3.44Å; M172-V301 VanDerWaalsContact CE-CG1 3.44Å; M172-V301 HydrophobicContact SD-CG1 4.12Å; I184-V301 HydrophobicContact CD1-CG2 3.81Å; I184-V301 HydrophobicContact CG1-CG2 3.89Å; V301-F321 WeakPolarHBondContact O-CA 3.24Å; V301-M322 HydrophobicContact CB-CB 4.27Å; V301-M322 PolarHBondContact N-O 2.75Å; V301-M322 PolarHBondContact O-N 3.47Å
302	R	94.3	Very high	88.1	Confident	7 Å²	7	35.9 Å²	35.9	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.9	163.8	179	175.6	79.7	-147.6	3.7	108.5	L169 L170 D171 M172 F321 A357 Y358 A360	L169-R302 PolarHBondContact O-N 2.71Å; L170-R302 HydrophobicContact CD2-CB 3.9Å; D171-R302 WeakPolarHBondContact CA-O 3.39Å; D171-R302 PolarHBondContact N-O 3.42Å; D171-R302 IonicContact OD1-CZ 2.94Å; D171-R302 VanDerWaalsContact OD1-CZ 3.29Å; D171-R302 IonicContact OD1-NE 3.6Å; D171-R302 PolarHBondContact OD1-NE 2.92Å; D171-R302 IonicContact OD1-NH2 3.7Å; D171-R302 PolarHBondContact OD1-NH2 2.89Å; D171-R302 IonicContact OD2-CZ 2.67Å; D171-R302 IonicContact OD2-NE 3.46Å; D171-R302 IonicContact OD2-NH2 3.74Å; D171-R302 PolarHBondContact OD2-NH2 3.09Å; M172-R302 PolarHBondContact N-O 2.88Å; R302-F321 HydrophobicContact CB-CD1 3.96Å; R302-F321 HydrophobicContact CB-CE1 3.93Å; R302-F321 HydrophobicContact CG-CD1 4.08Å; R302-F321 HydrophobicContact CG-CE1 3.66Å; R302-F321 HydrophobicContact CG-CZ 4.37Å; R302-A357 WeakPolarHBondContact CD-O 3.49Å; R302-A357 PolarHBondContact NH1-O 3.11Å; R302-Y358 PolarHBondContact NH1-O 3.21Å; R302-Y358 VanDerWaalsContact NH1-O 3.13Å; R302-A360 PolarHBondContact NH1-O 2.93Å; R302-A360 PolarHBondContact NH2-O 2.87Å
303	L	92.6	Very high	87.9	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	149.3	172.1	-66.3	167.6	0	0	0	110.3	M172 A174 V180 Q305 V307 L309 T319 R320	M172-L303 HydrophobicContact CB-CD2 4.47Å; M172-L303 HydrophobicContact CE-CD2 3.76Å; M172-L303 WeakPolarHBondContact O-CA 3.49Å; A174-L303 HydrophobicContact CB-CD2 3.93Å; V180-L303 HydrophobicContact CG2-CD2 4.18Å; L303-Q305 VanDerWaalsContact CB-O 3.23Å; L303-Q305 WeakPolarHBondContact CB-O 3.49Å; L303-V307 HydrophobicContact CD1-CB 4.39Å; L303-L309 HydrophobicContact CD1-CD1 4.48Å; L303-T319 WeakPolarHBondContact CD1-O 3.32Å; L303-R320 PolarHBondContact N-O 3.05Å; L303-R320 PolarHBondContact O-NE 2.88Å; L303-R320 PolarHBondContact O-NH2 3.31Å
304	Q	89.6	Confident	87.5	Confident	78 Å²	78	34 Å²	34	36%	0.364	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-38.1	179.1	-169.1	-166.6	77.2	0	0	112.1	D171 M172 E173 R320	D171-Q304 HydrophobicContact CB-CB 4.48Å; M172-Q304 PolarHBondContact O-N 3.38Å; E173-Q304 HydrophobicContact CG-CB 4.26Å; E173-Q304 PolarHBondContact OE1-NE2 2.97Å; Q304-R320 VanDerWaalsContact O-CZ 3.27Å; Q304-R320 PolarHBondContact O-NH1 2.9Å; Q304-R320 PolarHBondContact O-NH2 3.24Å
305	Q	88.8	Confident	87.4	Confident	136 Å²	136	27 Å²	27	64%	0.636	15%	0.152	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	154.4	171.3	-62	-174.5	8.8	0	0	108.5	L303	L303-Q305 VanDerWaalsContact CB-O 3.23Å; L303-Q305 WeakPolarHBondContact CB-O 3.49Å
306	A	89.4	Confident	87.2	Confident	29 Å²	29	24.1 Å²	24.1	24%	0.24	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.3	175.7	0	0	0	0	0	110.2	E281 P318 T319 R320	E281-A306 HydrophobicContact CG-CB 3.97Å; E281-A306 WeakPolarHBondContact OE1-CB 3.34Å; A306-P318 HydrophobicContact CB-CB 3.83Å; A306-P318 HydrophobicContact CB-CG 4.12Å; A306-T319 CarbonylContact C-O 3.57Å; A306-T319 VanDerWaalsContact CA-O 3.29Å; A306-T319 WeakPolarHBondContact CA-O 3.39Å; A306-R320 HydrophobicContact CB-CB 4.22Å
307	V	89.8	Confident	87	Confident	33 Å²	33	22.2 Å²	22.2	20%	0.2	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141	-169.1	175.3	0	0	0	0	111.5	S175 L303 L309 P318 T319	S175-V307 WeakPolarHBondContact O-CG1 3.26Å; L303-V307 HydrophobicContact CD1-CB 4.39Å; V307-L309 HydrophobicContact CG1-CD2 4.05Å; V307-L309 PolarHBondContact O-N 3.09Å; V307-P318 CarbonylContact O-C 3.55Å; V307-T319 PolarHBondContact N-O 2.75Å; V307-T319 PolarHBondContact O-N 2.72Å
308	M	85.6	Confident	86.9	Confident	74 Å²	74	23.8 Å²	23.8	37%	0.365	13%	0.133	S	C	.	.			trans	-73.8	91.5	177.3	-67.9	-62.4	-55.3	0	0	111.3	G310 P316 P318	M308-G310 PolarHBondContact O-N 3.5Å; M308-P316 HydrophobicContact CE-CB 3.97Å; M308-P318 HydrophobicContact CG-CB 4.47Å; M308-P318 HydrophobicContact SD-CB 3.94Å
309	L	83.6	Confident	86.8	Confident	8 Å²	8	23.4 Å²	23.4	4%	0.042	13%	0.131	C	C	.	.			trans	-80.4	43.6	179.4	-60.1	-178.1	0	0	0	113.5	L177 L303 V307 A311 L312 T319 M322	L177-L309 HydrophobicContact CB-CD2 4.49Å; L177-L309 HydrophobicContact CD1-CD1 4.49Å; L303-L309 HydrophobicContact CD1-CD1 4.48Å; V307-L309 HydrophobicContact CG1-CD2 4.05Å; V307-L309 PolarHBondContact O-N 3.09Å; L309-A311 PolarHBondContact O-N 2.8Å; L309-L312 HydrophobicContact CB-CB 4.11Å; L309-L312 HydrophobicContact CB-CD2 3.87Å; L309-L312 HydrophobicContact CD1-CD2 3.75Å; L309-L312 HydrophobicContact CG-CD2 4.47Å; L309-L312 VanDerWaalsContact O-CB 3.23Å; L309-L312 WeakPolarHBondContact O-CB 3.31Å; L309-L312 PolarHBondContact O-N 3.45Å; L309-T319 HydrophobicContact CD1-CG2 3.94Å; L309-M322 HydrophobicContact CD1-CE 3.58Å
310	G	72.7	Confident	86.8	Confident	11 Å²	11	25.1 Å²	25.1	11%	0.113	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	56.1	-117	170.5	0	0	0	0	0	115.1	Q267 M308 L312	Q267-G310 PolarHBondContact NE2-O 3.15Å; M308-G310 PolarHBondContact O-N 3.5Å; G310-L312 VanDerWaalsContact C-N 3.3Å; G310-L312 PolarHBondContact O-N 3.07Å
311	A	71.2	Confident	86.7	Confident	25 Å²	25	25 Å²	25	21%	0.207	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-86.2	10.1	-176.6	0	0	0	0	0	114.3	H212 L309 T313	H212-A311 PolarHBondContact NE2-O 3.01Å; L309-A311 PolarHBondContact O-N 2.8Å; A311-T313 VanDerWaalsContact C-N 3.31Å; A311-T313 PolarHBondContact O-N 3.18Å
312	L	81.8	Confident	86.7	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-68	-26.8	-177	-173.4	66.6	0	0	0	113.7	L177 H210 H212 N284 L286 L309 G310 M322	L177-L312 HydrophobicContact CD1-CD2 4.41Å; L177-L312 HydrophobicContact CD2-CD1 4.43Å; H210-L312 VanDerWaalsContact CE1-CD1 3.42Å; H210-L312 WeakPolarHBondContact CE1-CD1 3.36Å; H212-L312 PolarHBondContact CE1-O 3.43Å; N284-L312 HydrophobicContact CB-CD2 3.89Å; N284-L312 HydrophobicContact CB-CG 4.26Å; N284-L312 VanDerWaalsContact CG-CD2 3.5Å; N284-L312 WeakPolarHBondContact OD1-CD2 3.41Å; L286-L312 HydrophobicContact CD1-CD1 4.42Å; L286-L312 HydrophobicContact CD2-CD1 4.29Å; L309-L312 HydrophobicContact CB-CB 4.11Å; L309-L312 HydrophobicContact CB-CD2 3.87Å; L309-L312 HydrophobicContact CD1-CD2 3.75Å; L309-L312 HydrophobicContact CG-CD2 4.47Å; L309-L312 VanDerWaalsContact O-CB 3.23Å; L309-L312 WeakPolarHBondContact O-CB 3.31Å; L309-L312 PolarHBondContact O-N 3.45Å; G310-L312 VanDerWaalsContact C-N 3.3Å; G310-L312 PolarHBondContact O-N 3.07Å; L312-M322 HydrophobicContact CD2-CE 3.73Å
313	T	84	Confident	86.8	Confident	3 Å²	3	25 Å²	25	2%	0.018	14%	0.137	C	C	.	.	S	Bend	trans	-117.6	150.2	-178.4	49.3	0	0	0	0	112.6	E109 H212 Q267 A282 N284 A311 V315	E109-T313 WeakPolarHBondContact OE2-CA 3.28Å; E109-T313 VanDerWaalsContact OE2-CB 3.3Å; E109-T313 WeakPolarHBondContact OE2-CB 3.49Å; E109-T313 WeakPolarHBondContact OE2-CG2 3.24Å; H212-T313 VanDerWaalsContact CE1-C 3.5Å; H212-T313 VanDerWaalsContact NE2-C 3.28Å; H212-T313 PolarHBondContact NE2-O 2.94Å; Q267-T313 PolarHBondContact NE2-O 2.8Å; A282-T313 HydrophobicContact CB-CG2 3.98Å; N284-T313 VanDerWaalsContact ND2-CG2 3.28Å; N284-T313 WeakPolarHBondContact ND2-CG2 3.28Å; A311-T313 VanDerWaalsContact C-N 3.31Å; A311-T313 PolarHBondContact O-N 3.18Å; T313-V315 WeakPolarHBondContact CB-O 3.33Å; T313-V315 PolarHBondContact O-N 3.07Å; T313-V315 VanDerWaalsContact O-N 3.09Å; T313-V315 PolarHBondContact OG1-O 3.35Å
314	E	80.9	Confident	86.9	Confident	8 Å²	8	24.9 Å²	24.9	4%	0.037	14%	0.137	C	C	.	.	S	Bend	trans	-57.5	-23.7	172.4	-169	-150	179.4	0	0	112.6	E109 R128 H212 T214 N270	E109-E314 PolarHBondContact OE1-N 2.93Å; E109-E314 PolarHBondContact OE2-N 3.18Å; R128-E314 IonicContact CZ-OE2 3.19Å; R128-E314 IonicContact NH1-OE1 2.84Å; R128-E314 IonicContact NH1-OE2 2.96Å; R128-E314 PolarHBondContact NH1-OE2 2.89Å; H212-E314 HydrophobicContact CB-CB 4.11Å; H212-E314 HydrophobicContact CB-CG 4.01Å; H212-E314 PolarHBondContact CE1-N 3.31Å; T214-E314 HydrophobicContact CG2-CG 3.69Å; T214-E314 WeakPolarHBondContact CG2-OE1 3.49Å; N270-E314 WeakPolarHBondContact ND2-CG 3.33Å; N270-E314 PolarHBondContact ND2-OE1 3.43Å
315	V	82.7	Confident	87.2	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-132.1	142.6	-164.5	-172.8	0	0	0	0	109.7	F272 M273 T313 V317	F272-V315 HydrophobicContact CD1-CG2 3.91Å; M273-V315 HydrophobicContact CG-CG1 3.72Å; M273-V315 HydrophobicContact SD-CG1 3.16Å; M273-V315 WeakPolarHBondContact SD-CG1 3.34Å; T313-V315 WeakPolarHBondContact CB-O 3.33Å; T313-V315 PolarHBondContact O-N 3.07Å; T313-V315 VanDerWaalsContact O-N 3.09Å; T313-V315 PolarHBondContact OG1-O 3.35Å; V315-V317 VanDerWaalsContact C-N 3.31Å; V315-V317 HydrophobicContact CB-CG2 3.99Å; V315-V317 HydrophobicContact CG1-CG2 3.66Å; V315-V317 PolarHBondContact O-N 3.13Å
316	P	83	Confident	87.4	Confident	25 Å²	25	14.7 Å²	14.7	16%	0.162	9%	0.089	C	C	.	.			trans	-77.3	80.1	-178.3	32.4	-34.2	0	0	0	111.5	P263 M273 M308	P263-P316 HydrophobicContact CB-CB 4.07Å; M273-P316 HydrophobicContact CE-CG 4.24Å; M273-P316 HydrophobicContact SD-CG 4.23Å; M308-P316 HydrophobicContact CE-CB 3.97Å
317	V	87.3	Confident	87.5	Confident	7 Å²	7	13.3 Å²	13.3	4%	0.042	8%	0.078	C	C	.	.			trans	-123.4	137.5	-179.2	-173.3	0	0	0	0	108.4	L276 A280 A282 V315 T319	L276-V317 HydrophobicContact CD2-CG2 3.55Å; A280-V317 HydrophobicContact CB-CG1 4.23Å; A280-V317 VanDerWaalsContact O-CG1 3.3Å; A280-V317 WeakPolarHBondContact O-CG1 3.49Å; A282-V317 HydrophobicContact CB-CB 4.18Å; A282-V317 HydrophobicContact CB-CG1 3.96Å; V315-V317 VanDerWaalsContact C-N 3.31Å; V315-V317 HydrophobicContact CB-CG2 3.99Å; V315-V317 HydrophobicContact CG1-CG2 3.66Å; V315-V317 PolarHBondContact O-N 3.13Å; V317-T319 PolarHBondContact O-N 3.05Å
318	P	90.6	Very high	87.5	Confident	38 Å²	38	13.6 Å²	13.6	25%	0.247	8%	0.08	C	C	.	.			trans	-74.1	128.6	-179.9	30.6	-35.5	0	0	0	111.2	E281 A282 A306 V307 M308	E281-P318 CarbonylContact C-O 3.3Å; E281-P318 WeakPolarHBondContact CA-O 3.24Å; A282-P318 PolarHBondContact N-O 2.82Å; A306-P318 HydrophobicContact CB-CB 3.83Å; A306-P318 HydrophobicContact CB-CG 4.12Å; V307-P318 CarbonylContact O-C 3.55Å; M308-P318 HydrophobicContact CG-CB 4.47Å; M308-P318 HydrophobicContact SD-CB 3.94Å
319	T	91.8	Very high	87.5	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.2	177.2	-56.2	0	0	0	0	110.7	A282 N284 L303 A306 V307 L309 V317 F321	A282-T319 WeakPolarHBondContact O-CA 3.32Å; N284-T319 WeakPolarHBondContact OD1-CG2 3.48Å; N284-T319 PolarHBondContact OD1-OG1 3.38Å; L303-T319 WeakPolarHBondContact CD1-O 3.32Å; A306-T319 CarbonylContact C-O 3.57Å; A306-T319 VanDerWaalsContact CA-O 3.29Å; A306-T319 WeakPolarHBondContact CA-O 3.39Å; V307-T319 PolarHBondContact N-O 2.75Å; V307-T319 PolarHBondContact O-N 2.72Å; L309-T319 HydrophobicContact CD1-CG2 3.94Å; V317-T319 PolarHBondContact O-N 3.05Å; T319-F321 VanDerWaalsContact CG2-O 3.23Å; T319-F321 WeakPolarHBondContact CG2-O 3.37Å
320	R	92.7	Very high	87.5	Confident	36 Å²	36	19.3 Å²	19.3	14%	0.136	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-38.9	173	-178.1	73.6	-165.4	-174.2	13.6	112.4	E281 A282 L303 Q304 A306 Y358	E281-R320 HydrophobicContact CB-CB 4.11Å; E281-R320 VanDerWaalsContact OE2-CB 3.29Å; E281-R320 WeakPolarHBondContact OE2-CB 3.33Å; E281-R320 WeakPolarHBondContact OE2-CD 3.29Å; E281-R320 VanDerWaalsContact OE2-CG 3.23Å; E281-R320 WeakPolarHBondContact OE2-CG 3.48Å; A282-R320 PolarHBondContact O-N 2.93Å; L303-R320 PolarHBondContact N-O 3.05Å; L303-R320 PolarHBondContact O-NE 2.88Å; L303-R320 PolarHBondContact O-NH2 3.31Å; Q304-R320 VanDerWaalsContact O-CZ 3.27Å; Q304-R320 PolarHBondContact O-NH1 2.9Å; Q304-R320 PolarHBondContact O-NH2 3.24Å; A306-R320 HydrophobicContact CB-CB 4.22Å; R320-Y358 HydrophobicContact CG-CE1 3.86Å
321	F	94.4	Very high	88.1	Confident	1 Å²	1	23 Å²	23	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.7	-176.4	-60.2	-86.2	0	0	0	111.5	L106 A282 S283 N284 F300 V301 R302 T319 M346 A357 Y358	L106-F321 HydrophobicContact CD1-CD2 3.95Å; L106-F321 HydrophobicContact CD1-CE2 3.94Å; L106-F321 HydrophobicContact CD2-CD2 3.98Å; L106-F321 HydrophobicContact CD2-CE2 4.24Å; A282-F321 PolarHBondContact O-N 3.35Å; S283-F321 WeakPolarHBondContact CA-O 3.49Å; N284-F321 PolarHBondContact N-O 3.17Å; F300-F321 HydrophobicContact CE1-CD1 4.44Å; F300-F321 AromaticContact CZ-CD1 3.97Å; F300-F321 HydrophobicContact CZ-CD1 3.97Å; F300-F321 HydrophobicContact CZ-CE1 4.44Å; V301-F321 WeakPolarHBondContact O-CA 3.24Å; R302-F321 HydrophobicContact CB-CD1 3.96Å; R302-F321 HydrophobicContact CB-CE1 3.93Å; R302-F321 HydrophobicContact CG-CD1 4.08Å; R302-F321 HydrophobicContact CG-CE1 3.66Å; R302-F321 HydrophobicContact CG-CZ 4.37Å; T319-F321 VanDerWaalsContact CG2-O 3.23Å; T319-F321 WeakPolarHBondContact CG2-O 3.37Å; F321-M346 HydrophobicContact CB-CE 3.93Å; F321-M346 HydrophobicContact CD1-CE 3.88Å; F321-M346 HydrophobicContact CD2-CE 3.42Å; F321-M346 VanDerWaalsContact CD2-CE 3.42Å; F321-M346 HydrophobicContact CE1-CE 4.19Å; F321-M346 HydrophobicContact CE2-CE 3.78Å; F321-M346 HydrophobicContact CG-CE 3.47Å; F321-M346 VanDerWaalsContact CG-CE 3.47Å; F321-M346 HydrophobicContact CZ-CE 4.15Å; F321-A357 HydrophobicContact CE1-CB 3.93Å; F321-A357 HydrophobicContact CZ-CB 4.03Å; F321-Y358 HydrophobicContact CE2-CD1 4.5Å; F321-Y358 HydrophobicContact CE2-CD2 4.15Å; F321-Y358 HydrophobicContact CE2-CE1 4.03Å; F321-Y358 AromaticContact CE2-CE2 3.63Å; F321-Y358 HydrophobicContact CE2-CE2 3.63Å; F321-Y358 AromaticContact CE2-CZ 3.56Å; F321-Y358 HydrophobicContact CZ-CD1 4.16Å; F321-Y358 AromaticContact CZ-CD2 3.93Å; F321-Y358 HydrophobicContact CZ-CD2 3.93Å; F321-Y358 HydrophobicContact CZ-CE1 4.15Å; F321-Y358 AromaticContact CZ-CE2 3.9Å; F321-Y358 HydrophobicContact CZ-CE2 3.9Å; F321-Y358 HydrophobicContact CZ-CG 4.05Å
322	M	94	Very high	88.7	Confident	6 Å²	6	25 Å²	25	3%	0.03	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.6	173	-175.2	-175.9	-63.5	0	0	110.2	L177 V180 N284 V301 L309 L312 V324	L177-M322 HydrophobicContact CD1-CE 3.69Å; V180-M322 HydrophobicContact CG1-CE 3.92Å; V180-M322 HydrophobicContact CG1-SD 3.8Å; N284-M322 CarbonylContact O-C 3.57Å; N284-M322 WeakPolarHBondContact O-CA 3.36Å; V301-M322 HydrophobicContact CB-CB 4.27Å; V301-M322 PolarHBondContact N-O 2.75Å; V301-M322 PolarHBondContact O-N 3.47Å; L309-M322 HydrophobicContact CD1-CE 3.58Å; L312-M322 HydrophobicContact CD2-CE 3.73Å; M322-V324 HydrophobicContact CG-CG2 3.97Å; M322-V324 HydrophobicContact SD-CG2 4.02Å
323	F	95.9	Very high	89	Confident	3 Å²	3	32.5 Å²	32.5	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.3	169.9	-179.9	-96	0	0	0	109.4	L159 N284 V285 L286 V298 A299 F300 L325 I338 I342	L159-F323 HydrophobicContact CD1-CE2 4.09Å; L159-F323 HydrophobicContact CD1-CZ 3.86Å; N284-F323 PolarHBondContact O-N 2.54Å; V285-F323 HydrophobicContact CG1-CB 4.49Å; V285-F323 HydrophobicContact CG1-CD1 3.95Å; L286-F323 PolarHBondContact N-O 3.13Å; V298-F323 HydrophobicContact CG1-CE2 4.05Å; V298-F323 HydrophobicContact CG1-CZ 4.2Å; A299-F323 CarbonylContact O-C 3.51Å; A299-F323 WeakPolarHBondContact O-CA 3.19Å; F300-F323 HydrophobicContact CB-CD2 4.27Å; F300-F323 HydrophobicContact CD2-CD2 4.13Å; F323-L325 HydrophobicContact CD1-CB 4.48Å; F323-L325 HydrophobicContact CE1-CB 3.72Å; F323-L325 HydrophobicContact CE1-CD2 4.31Å; F323-L325 HydrophobicContact CZ-CB 4.29Å; F323-I338 HydrophobicContact CE1-CG2 4.5Å; F323-I338 HydrophobicContact CZ-CG2 4.46Å; F323-I342 HydrophobicContact CD1-CG2 3.74Å; F323-I342 HydrophobicContact CD2-CG1 4.35Å; F323-I342 HydrophobicContact CE1-CG2 4.01Å; F323-I342 HydrophobicContact CG-CG1 4.3Å; F323-I342 HydrophobicContact CG-CG2 4.07Å
324	V	95.3	Very high	89.3	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.6	-179.3	-173.7	0	0	0	0	109.6	L206 L286 F297 V298 A299 M322 L326	L206-V324 HydrophobicContact CD1-CG1 4.37Å; L206-V324 HydrophobicContact CD2-CG1 3.51Å; L286-V324 HydrophobicContact CB-CG2 4.44Å; L286-V324 HydrophobicContact CD1-CG2 4.36Å; L286-V324 WeakPolarHBondContact O-CA 3.47Å; F297-V324 HydrophobicContact CD1-CG1 4.05Å; F297-V324 HydrophobicContact CE1-CB 4.31Å; F297-V324 HydrophobicContact CE1-CG1 3.77Å; V298-V324 WeakPolarHBondContact CA-O 3.37Å; A299-V324 HydrophobicContact CB-CB 4.42Å; A299-V324 PolarHBondContact N-O 3.05Å; A299-V324 PolarHBondContact O-N 3.37Å; M322-V324 HydrophobicContact CG-CG2 3.97Å; M322-V324 HydrophobicContact SD-CG2 4.02Å; V324-L326 HydrophobicContact CG1-CG 4.42Å
325	L	95.1	Very high	89.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	102.9	177.3	173.1	60.8	0	0	0	109.7	L286 V287 G288 P296 F297 V298 F323 Y335 I338	L286-L325 PolarHBondContact O-N 3.33Å; V287-L325 CarbonylContact C-O 3.6Å; V287-L325 WeakPolarHBondContact CA-O 3.44Å; V287-L325 HydrophobicContact CG2-CB 4.5Å; G288-L325 PolarHBondContact N-O 3.42Å; P296-L325 HydrophobicContact CB-CD1 4.49Å; F297-L325 WeakPolarHBondContact O-CA 3.35Å; V298-L325 HydrophobicContact CG2-CD1 3.76Å; F323-L325 HydrophobicContact CD1-CB 4.48Å; F323-L325 HydrophobicContact CE1-CB 3.72Å; F323-L325 HydrophobicContact CE1-CD2 4.31Å; F323-L325 HydrophobicContact CZ-CB 4.29Å; L325-Y335 HydrophobicContact CD1-CD1 4.31Å; L325-Y335 HydrophobicContact CD2-CD1 3.98Å; L325-Y335 HydrophobicContact CD2-CG 4.42Å; L325-Y335 HydrophobicContact CG-CD1 4.22Å; L325-I338 HydrophobicContact CD2-CB 3.95Å; L325-I338 HydrophobicContact CD2-CD1 4.17Å; L325-I338 HydrophobicContact CD2-CG2 3.63Å
326	L	93.4	Very high	90.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.9	172.1	-65.3	175.8	0	0	0	109.3	L113 W123 T205 L206 G288 L293 P296 F297 V324	L113-L326 HydrophobicContact CD2-CD2 4.24Å; W123-L326 HydrophobicContact CH2-CD2 3.77Å; W123-L326 HydrophobicContact CZ2-CD2 4.11Å; T205-L326 HydrophobicContact CG2-CD1 4.39Å; L206-L326 HydrophobicContact CD2-CD1 4.01Å; L206-L326 HydrophobicContact CG-CD1 4.12Å; G288-L326 WeakPolarHBondContact O-CA 3.34Å; L293-L326 HydrophobicContact CD1-CB 3.93Å; P296-L326 CarbonylContact C-O 3.53Å; P296-L326 WeakPolarHBondContact CA-O 3.38Å; F297-L326 HydrophobicContact CB-CB 4.23Å; F297-L326 HydrophobicContact CD1-CB 4.49Å; F297-L326 PolarHBondContact N-O 2.93Å; F297-L326 PolarHBondContact O-N 3.24Å; V324-L326 HydrophobicContact CG1-CG 4.42Å
327	G	91.6	Very high	90.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	166.1	-176	0	0	0	0	0	115.1	G288 E289 V290	G288-G327 PolarHBondContact O-N 3.18Å; E289-G327 CarbonylContact C-O 3.59Å; E289-G327 WeakPolarHBondContact CA-O 3.48Å; V290-G327 PolarHBondContact N-O 3.04Å
328	P	90.3	Very high	91	Very high	38 Å²	38	38 Å²	38	25%	0.247	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	150	169.2	23	-34.2	0	0	0	112.3	V290 L293 Y335	V290-P328 WeakPolarHBondContact O-CA 3.36Å; L293-P328 WeakPolarHBondContact O-CB 3.42Å; P328-Y335 WeakPolarHBondContact CD-OH 3.35Å
329	K	85.1	Confident	91.1	Very high	130 Å²	130	36.2 Å²	36.2	57%	0.565	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	138.1	174.2	-70.6	177.9	175.2	170.2	0	112.6	E289 V290 D291	E289-K329 HydrophobicContact CB-CG 4.32Å; V290-K329 PolarHBondContact O-N 2.91Å; D291-K329 HydrophobicContact CB-CD 4.01Å; D291-K329 IonicContact OD2-NZ 2.74Å; D291-K329 PolarHBondContact OD2-NZ 3.41Å
330	G	82.8	Confident	91.2	Very high	72 Å²	72	37.2 Å²	37.2	74%	0.742	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	118	1	175.4	0	0	0	0	0	115.6	E289	E289-G330 PolarHBondContact OE1-N 3.26Å
331	K	85.6	Confident	91.2	Very high	90 Å²	90	35.5 Å²	35.5	39%	0.391	19%	0.188	S	C	.	.			trans	-130.4	12.4	-177.8	-85	-162.5	168.7	-151.3	0	114.7	E158 E289 K333 S334 Y335	E158-K331 IonicContact OE1-NZ 2.63Å; E158-K331 PolarHBondContact OE1-NZ 3.2Å; E289-K331 PolarHBondContact OE1-N 3.31Å; K331-K333 VanDerWaalsContact C-N 3.28Å; K331-K333 CarbonylContact O-C 3.56Å; K331-K333 PolarHBondContact O-N 3.33Å; K331-K333 VanDerWaalsContact O-N 3.07Å; K331-S334 WeakPolarHBondContact O-CA 3.27Å; K331-S334 VanDerWaalsContact O-CB 3.3Å; K331-S334 WeakPolarHBondContact O-CB 3.42Å; K331-S334 PolarHBondContact O-N 2.89Å; K331-Y335 HydrophobicContact CB-CD1 4.46Å; K331-Y335 HydrophobicContact CB-CD2 4.05Å; K331-Y335 HydrophobicContact CB-CE1 3.99Å; K331-Y335 HydrophobicContact CB-CE2 3.51Å; K331-Y335 HydrophobicContact CB-CG 4.49Å; K331-Y335 VanDerWaalsContact CB-CZ 3.47Å; K331-Y335 HydrophobicContact CD-CE1 4.31Å; K331-Y335 PolarHBondContact O-N 3.32Å
332	S	85.1	Confident	91.1	Very high	65 Å²	65	35.4 Å²	35.4	46%	0.455	19%	0.188	S	C	.	.	H	α-helix	trans	-42.7	-46.5	-177.9	45	0	0	0	0	114.7	E289 Y335 R336	E289-S332 VanDerWaalsContact CD-CB 3.46Å; E289-S332 WeakPolarHBondContact OE1-CA 3.38Å; E289-S332 PolarHBondContact OE1-N 3.19Å; S332-Y335 PolarHBondContact O-N 3.18Å; S332-R336 PolarHBondContact O-N 2.86Å
333	K	87	Confident	91	Very high	159 Å²	159	35.1 Å²	35.1	69%	0.691	19%	0.187	S	C	*	.	H	α-helix	trans	-59.5	-50	174.8	-68.1	-175.5	-179.2	179.6	0	112	K331 Y335 R336 E337	K331-K333 VanDerWaalsContact C-N 3.28Å; K331-K333 CarbonylContact O-C 3.56Å; K331-K333 PolarHBondContact O-N 3.33Å; K331-K333 VanDerWaalsContact O-N 3.07Å; K333-Y335 VanDerWaalsContact C-N 3.35Å; K333-Y335 PolarHBondContact O-N 3.17Å; K333-R336 PolarHBondContact O-N 3.5Å; K333-E337 WeakPolarHBondContact O-CG 3.48Å; K333-E337 PolarHBondContact O-N 3.45Å
334	S	90.4	Very high	90.8	Very high	29 Å²	29	35.9 Å²	35.9	20%	0.203	19%	0.191	C	C	.	.	H	α-helix	trans	-56	-50	175.8	-113	0	0	0	0	110.6	E158 K331 R336 E337 I338	E158-S334 WeakPolarHBondContact OE2-CB 3.23Å; E158-S334 PolarHBondContact OE2-OG 2.76Å; K331-S334 WeakPolarHBondContact O-CA 3.27Å; K331-S334 VanDerWaalsContact O-CB 3.3Å; K331-S334 WeakPolarHBondContact O-CB 3.42Å; K331-S334 PolarHBondContact O-N 2.89Å; S334-R336 VanDerWaalsContact C-N 3.33Å; S334-R336 PolarHBondContact O-N 2.97Å; S334-E337 PolarHBondContact O-N 2.82Å; S334-E337 VanDerWaalsContact O-N 3.09Å; S334-I338 WeakPolarHBondContact O-CD1 3.5Å; S334-I338 VanDerWaalsContact O-CG1 3.26Å; S334-I338 WeakPolarHBondContact O-CG1 3.23Å; S334-I338 PolarHBondContact O-N 2.9Å
335	Y	92.4	Very high	90.5	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-43.2	-179	-59.2	-35.8	0	0	0	112.1	V287 E289 L325 P328 K331 S332 K333 I338 G339	V287-Y335 VanDerWaalsContact CG1-O 3.27Å; V287-Y335 WeakPolarHBondContact CG1-O 3.39Å; E289-Y335 HydrophobicContact CG-CD2 3.92Å; E289-Y335 HydrophobicContact CG-CE2 4.11Å; L325-Y335 HydrophobicContact CD1-CD1 4.31Å; L325-Y335 HydrophobicContact CD2-CD1 3.98Å; L325-Y335 HydrophobicContact CD2-CG 4.42Å; L325-Y335 HydrophobicContact CG-CD1 4.22Å; P328-Y335 WeakPolarHBondContact CD-OH 3.35Å; K331-Y335 HydrophobicContact CB-CD1 4.46Å; K331-Y335 HydrophobicContact CB-CD2 4.05Å; K331-Y335 HydrophobicContact CB-CE1 3.99Å; K331-Y335 HydrophobicContact CB-CE2 3.51Å; K331-Y335 HydrophobicContact CB-CG 4.49Å; K331-Y335 VanDerWaalsContact CB-CZ 3.47Å; K331-Y335 HydrophobicContact CD-CE1 4.31Å; K331-Y335 PolarHBondContact O-N 3.32Å; S332-Y335 PolarHBondContact O-N 3.18Å; K333-Y335 VanDerWaalsContact C-N 3.35Å; K333-Y335 PolarHBondContact O-N 3.17Å; Y335-I338 HydrophobicContact CD1-CD1 4.23Å; Y335-I338 WeakPolarHBondContact O-CB 3.48Å; Y335-I338 PolarHBondContact O-N 2.91Å; Y335-G339 PolarHBondContact O-N 2.73Å
336	R	91.7	Very high	90.2	Very high	90 Å²	90	35.9 Å²	35.9	34%	0.34	19%	0.191	S	C	.	.	H	α-helix	trans	-61.4	-46.4	172.5	-176.8	-174.2	71	-161.1	2.5	112.6	E112 S332 K333 S334 I338 G339 R340	E112-R336 WeakPolarHBondContact OE1-CD 3.41Å; E112-R336 WeakPolarHBondContact OE1-CG 3.43Å; S332-R336 PolarHBondContact O-N 2.86Å; K333-R336 PolarHBondContact O-N 3.5Å; S334-R336 VanDerWaalsContact C-N 3.33Å; S334-R336 PolarHBondContact O-N 2.97Å; R336-I338 PolarHBondContact O-N 2.94Å; R336-G339 WeakPolarHBondContact O-CA 3.49Å; R336-G339 PolarHBondContact O-N 3.41Å; R336-G339 VanDerWaalsContact O-N 3.12Å; R336-R340 WeakPolarHBondContact O-CG 3.41Å; R336-R340 PolarHBondContact O-N 2.74Å
337	E	91.4	Very high	89.6	Confident	37 Å²	37	36.6 Å²	36.6	17%	0.173	20%	0.196	C	C	.	.	H	α-helix	trans	-66.8	-25.3	179.7	-60.4	-42.2	135	0	0	112.7	S155 K333 S334 R340 A341	S155-E337 WeakPolarHBondContact CB-O 2.93Å; S155-E337 PolarHBondContact OG-O 3.37Å; S155-E337 VanDerWaalsContact OG-O 3.04Å; K333-E337 WeakPolarHBondContact O-CG 3.48Å; K333-E337 PolarHBondContact O-N 3.45Å; S334-E337 PolarHBondContact O-N 2.82Å; S334-E337 VanDerWaalsContact O-N 3.09Å; E337-R340 IonicContact OE2-CZ 2.67Å; E337-R340 IonicContact OE2-NE 3.93Å; E337-R340 IonicContact OE2-NH1 3.69Å; E337-R340 PolarHBondContact OE2-NH1 3.4Å; E337-A341 WeakPolarHBondContact O-CB 3.42Å; E337-A341 PolarHBondContact O-N 3.36Å; E337-A341 VanDerWaalsContact O-N 3.11Å
338	I	93.9	Very high	88.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72.4	-43.4	169.3	-67.1	154.2	0	0	0	110.5	E158 L159 Y162 F323 L325 S334 Y335 R336 A341 I342	E158-I338 HydrophobicContact CB-CD1 3.93Å; E158-I338 HydrophobicContact CB-CG1 4.07Å; L159-I338 HydrophobicContact CB-CG2 4.1Å; L159-I338 HydrophobicContact CD1-CG2 3.9Å; Y162-I338 HydrophobicContact CD2-CD1 3.96Å; Y162-I338 HydrophobicContact CD2-CG2 4.49Å; Y162-I338 HydrophobicContact CE2-CD1 3.52Å; F323-I338 HydrophobicContact CE1-CG2 4.5Å; F323-I338 HydrophobicContact CZ-CG2 4.46Å; L325-I338 HydrophobicContact CD2-CB 3.95Å; L325-I338 HydrophobicContact CD2-CD1 4.17Å; L325-I338 HydrophobicContact CD2-CG2 3.63Å; S334-I338 WeakPolarHBondContact O-CD1 3.5Å; S334-I338 VanDerWaalsContact O-CG1 3.26Å; S334-I338 WeakPolarHBondContact O-CG1 3.23Å; S334-I338 PolarHBondContact O-N 2.9Å; Y335-I338 HydrophobicContact CD1-CD1 4.23Å; Y335-I338 WeakPolarHBondContact O-CB 3.48Å; Y335-I338 PolarHBondContact O-N 2.91Å; R336-I338 PolarHBondContact O-N 2.94Å; I338-A341 WeakPolarHBondContact O-CB 3.42Å; I338-A341 PolarHBondContact O-N 3.42Å; I338-A341 VanDerWaalsContact O-N 3.15Å; I338-I342 PolarHBondContact O-N 3.39Å
339	G	93.5	Very high	87.3	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.7	-48.5	172.6	0	0	0	0	0	112.6	Y335 R336 A341 I342 A343	Y335-G339 PolarHBondContact O-N 2.73Å; R336-G339 WeakPolarHBondContact O-CA 3.49Å; R336-G339 PolarHBondContact O-N 3.41Å; R336-G339 VanDerWaalsContact O-N 3.12Å; G339-A341 VanDerWaalsContact C-N 3.3Å; G339-A341 PolarHBondContact O-N 2.97Å; G339-I342 VanDerWaalsContact O-CG2 3.32Å; G339-I342 WeakPolarHBondContact O-CG2 3.29Å; G339-I342 PolarHBondContact O-N 3.36Å; G339-A343 WeakPolarHBondContact O-CB 3.47Å; G339-A343 PolarHBondContact O-N 2.96Å
340	R	92.9	Very high	85.9	Confident	20 Å²	20	34.6 Å²	34.6	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-39.1	173.1	-70.2	-179.4	66.3	-114	-6.7	112.3	L110 W129 E133 T150 L151 R336 E337 T344	L110-R340 HydrophobicContact CD2-CG 3.87Å; W129-R340 HydrophobicContact CH2-CB 4.48Å; W129-R340 HydrophobicContact CH2-CG 4.15Å; W129-R340 HydrophobicContact CZ2-CB 4.3Å; W129-R340 HydrophobicContact CZ2-CG 4.25Å; E133-R340 IonicContact OE1-CZ 3.04Å; E133-R340 IonicContact OE1-NE 2.7Å; E133-R340 PolarHBondContact OE1-NE 3.1Å; E133-R340 IonicContact OE1-NH2 3.5Å; E133-R340 PolarHBondContact OE1-NH2 3.02Å; E133-R340 IonicContact OE2-CZ 2.71Å; E133-R340 IonicContact OE2-NE 3.61Å; E133-R340 IonicContact OE2-NH2 2.73Å; E133-R340 PolarHBondContact OE2-NH2 2.94Å; T150-R340 PolarHBondContact O-NH1 3.49Å; T150-R340 PolarHBondContact O-NH2 2.94Å; L151-R340 HydrophobicContact CD2-CB 4.13Å; R336-R340 WeakPolarHBondContact O-CG 3.41Å; R336-R340 PolarHBondContact O-N 2.74Å; E337-R340 IonicContact OE2-CZ 2.67Å; E337-R340 IonicContact OE2-NE 3.93Å; E337-R340 IonicContact OE2-NH1 3.69Å; E337-R340 PolarHBondContact OE2-NH1 3.4Å; R340-T344 WeakPolarHBondContact O-CB 3.43Å; R340-T344 PolarHBondContact O-N 3.33Å; R340-T344 PolarHBondContact O-OG1 3.32Å
341	A	92.4	Very high	85.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-49.9	179.3	0	0	0	0	0	112.4	L151 L156 L159 E337 I338 G339 T344 L345	L151-A341 HydrophobicContact CD1-CB 4.36Å; L151-A341 HydrophobicContact CD2-CB 4.36Å; L156-A341 HydrophobicContact CD2-CB 3.93Å; L156-A341 HydrophobicContact CG-CB 4.18Å; L159-A341 HydrophobicContact CD2-CB 4.05Å; E337-A341 WeakPolarHBondContact O-CB 3.42Å; E337-A341 PolarHBondContact O-N 3.36Å; E337-A341 VanDerWaalsContact O-N 3.11Å; I338-A341 WeakPolarHBondContact O-CB 3.42Å; I338-A341 PolarHBondContact O-N 3.42Å; I338-A341 VanDerWaalsContact O-N 3.15Å; G339-A341 VanDerWaalsContact C-N 3.3Å; G339-A341 PolarHBondContact O-N 2.97Å; A341-T344 PolarHBondContact O-N 2.96Å; A341-L345 WeakPolarHBondContact O-CB 3.37Å; A341-L345 WeakPolarHBondContact O-CG 3.33Å; A341-L345 PolarHBondContact O-N 3.26Å
342	I	93.4	Very high	84.5	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.4	-36.6	176.5	-170.8	60	0	0	0	111.7	L159 I163 V285 F323 I338 G339 T344 L345 M346 F353	L159-I342 HydrophobicContact CD1-CB 3.96Å; L159-I342 HydrophobicContact CD1-CG1 4.48Å; L159-I342 HydrophobicContact CD2-CB 3.79Å; L159-I342 HydrophobicContact CD2-CD1 4.22Å; I163-I342 HydrophobicContact CD1-CD1 4.3Å; V285-I342 HydrophobicContact CG1-CG2 3.63Å; V285-I342 HydrophobicContact CG2-CG2 4.28Å; F323-I342 HydrophobicContact CD1-CG2 3.74Å; F323-I342 HydrophobicContact CD2-CG1 4.35Å; F323-I342 HydrophobicContact CE1-CG2 4.01Å; F323-I342 HydrophobicContact CG-CG1 4.3Å; F323-I342 HydrophobicContact CG-CG2 4.07Å; I338-I342 PolarHBondContact O-N 3.39Å; G339-I342 VanDerWaalsContact O-CG2 3.32Å; G339-I342 WeakPolarHBondContact O-CG2 3.29Å; G339-I342 PolarHBondContact O-N 3.36Å; I342-T344 VanDerWaalsContact C-N 3.32Å; I342-T344 PolarHBondContact O-N 2.88Å; I342-L345 HydrophobicContact CD1-CB 4.43Å; I342-L345 HydrophobicContact CD1-CD1 4.38Å; I342-L345 WeakPolarHBondContact O-CB 3.44Å; I342-L345 PolarHBondContact O-N 3.38Å; I342-M346 HydrophobicContact CD1-CG 4.37Å; I342-M346 HydrophobicContact CG1-CG 4.38Å; I342-M346 VanDerWaalsContact O-CG 3.32Å; I342-M346 WeakPolarHBondContact O-CG 3.43Å; I342-M346 PolarHBondContact O-N 2.92Å; I342-F353 HydrophobicContact CD1-CE1 4Å; I342-F353 HydrophobicContact CD1-CZ 4.22Å
343	A	92.2	Very high	84.5	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.3	-38.2	177.7	0	0	0	0	0	112.6	T108 W129 V285 G339 S347	T108-A343 HydrophobicContact CG2-CB 3.72Å; W129-A343 HydrophobicContact CD2-CB 3.97Å; W129-A343 HydrophobicContact CE3-CB 3.57Å; W129-A343 HydrophobicContact CH2-CB 3.64Å; W129-A343 HydrophobicContact CZ2-CB 3.96Å; W129-A343 HydrophobicContact CZ3-CB 3.43Å; W129-A343 VanDerWaalsContact CZ3-CB 3.43Å; V285-A343 HydrophobicContact CG2-CB 4.11Å; G339-A343 WeakPolarHBondContact O-CB 3.47Å; G339-A343 PolarHBondContact O-N 2.96Å; A343-S347 WeakPolarHBondContact O-CB 3.39Å; A343-S347 PolarHBondContact O-N 3.46Å; A343-S347 PolarHBondContact O-OG 2.68Å
344	T	90.4	Very high	84.3	Confident	19 Å²	19	20.5 Å²	20.5	12%	0.117	10%	0.1	C	C	.	.	H	α-helix	trans	-68.6	-45	174.5	-56.7	0	0	0	0	111.1	W129 A149 L151 R340 A341 I342 M346 S347 D348	W129-T344 PolarHBondContact NE1-OG1 2.98Å; A149-T344 HydrophobicContact CB-CG2 3.83Å; L151-T344 HydrophobicContact CD1-CG2 3.96Å; R340-T344 WeakPolarHBondContact O-CB 3.43Å; R340-T344 PolarHBondContact O-N 3.33Å; R340-T344 PolarHBondContact O-OG1 3.32Å; A341-T344 PolarHBondContact O-N 2.96Å; I342-T344 VanDerWaalsContact C-N 3.32Å; I342-T344 PolarHBondContact O-N 2.88Å; T344-M346 PolarHBondContact O-N 2.95Å; T344-S347 CarbonylContact O-C 3.58Å; T344-S347 PolarHBondContact O-N 2.85Å; T344-D348 PolarHBondContact O-N 2.87Å
345	L	89.8	Confident	84	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-55.7	-44.8	174.7	-85.7	162.6	0	0	0	113	L156 L159 A341 I342 S347 F353 I370 F373	L156-L345 HydrophobicContact CD2-CD1 3.99Å; L156-L345 HydrophobicContact CD2-CG 4.49Å; L159-L345 HydrophobicContact CD2-CD1 3.53Å; A341-L345 WeakPolarHBondContact O-CB 3.37Å; A341-L345 WeakPolarHBondContact O-CG 3.33Å; A341-L345 PolarHBondContact O-N 3.26Å; I342-L345 HydrophobicContact CD1-CB 4.43Å; I342-L345 HydrophobicContact CD1-CD1 4.38Å; I342-L345 WeakPolarHBondContact O-CB 3.44Å; I342-L345 PolarHBondContact O-N 3.38Å; L345-S347 PolarHBondContact O-N 3.23Å; L345-F353 HydrophobicContact CB-CD1 3.73Å; L345-F353 HydrophobicContact CB-CE1 4.03Å; L345-F353 HydrophobicContact CB-CG 4.23Å; L345-F353 HydrophobicContact CD2-CB 4.05Å; L345-F353 HydrophobicContact CD2-CD1 4.24Å; L345-F353 HydrophobicContact CD2-CD2 4.13Å; L345-F353 HydrophobicContact CD2-CG 3.86Å; L345-I370 HydrophobicContact CD1-CG1 4.38Å; L345-F373 HydrophobicContact CD2-CB 3.59Å; L345-F373 HydrophobicContact CD2-CD1 3.46Å; L345-F373 VanDerWaalsContact CD2-CD1 3.46Å; L345-F373 HydrophobicContact CD2-CD2 3.72Å; L345-F373 HydrophobicContact CD2-CE1 3.98Å; L345-F373 HydrophobicContact CD2-CE2 4.22Å; L345-F373 HydrophobicContact CD2-CG 3.3Å; L345-F373 HydrophobicContact CD2-CZ 4.33Å; L345-F373 HydrophobicContact CG-CD1 4.15Å; L345-F373 HydrophobicContact CG-CE1 4.23Å; L345-F373 HydrophobicContact CG-CG 4.37Å
346	M	88.6	Confident	83.7	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-68.8	-22	177.8	-66.7	-61.2	-58.1	0	0	113.3	L106 T108 F300 F321 I342 T344 F353 A357	L106-M346 HydrophobicContact CD1-CE 3.59Å; T108-M346 HydrophobicContact CG2-CB 4.48Å; F300-M346 HydrophobicContact CE2-SD 4.2Å; F300-M346 HydrophobicContact CZ-SD 4.42Å; F321-M346 HydrophobicContact CB-CE 3.93Å; F321-M346 HydrophobicContact CD1-CE 3.88Å; F321-M346 HydrophobicContact CD2-CE 3.42Å; F321-M346 VanDerWaalsContact CD2-CE 3.42Å; F321-M346 HydrophobicContact CE1-CE 4.19Å; F321-M346 HydrophobicContact CE2-CE 3.78Å; F321-M346 HydrophobicContact CG-CE 3.47Å; F321-M346 VanDerWaalsContact CG-CE 3.47Å; F321-M346 HydrophobicContact CZ-CE 4.15Å; I342-M346 HydrophobicContact CD1-CG 4.37Å; I342-M346 HydrophobicContact CG1-CG 4.38Å; I342-M346 VanDerWaalsContact O-CG 3.32Å; I342-M346 WeakPolarHBondContact O-CG 3.43Å; I342-M346 PolarHBondContact O-N 2.92Å; T344-M346 PolarHBondContact O-N 2.95Å; M346-F353 HydrophobicContact SD-CD1 4.1Å; M346-F353 HydrophobicContact SD-CE1 3.64Å; M346-A357 HydrophobicContact CE-CB 4.25Å; M346-A357 HydrophobicContact SD-CB 4.29Å
347	S	81.2	Confident	83.6	Confident	14 Å²	14	15.3 Å²	15.3	10%	0.098	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	7.5	-176.1	-46.8	0	0	0	0	113.4	T108 W129 A343 T344 L345	T108-S347 VanDerWaalsContact CB-OG 3.23Å; T108-S347 WeakPolarHBondContact CB-OG 3.42Å; T108-S347 PolarHBondContact OG1-OG 3.16Å; W129-S347 VanDerWaalsContact CB-OG 3.22Å; W129-S347 WeakPolarHBondContact CB-OG 3.42Å; A343-S347 WeakPolarHBondContact O-CB 3.39Å; A343-S347 PolarHBondContact O-N 3.46Å; A343-S347 PolarHBondContact O-OG 2.68Å; T344-S347 CarbonylContact O-C 3.58Å; T344-S347 PolarHBondContact O-N 2.85Å; L345-S347 PolarHBondContact O-N 3.23Å
348	D	73.3	Confident	83.4	Confident	34 Å²	34	15.6 Å²	15.6	18%	0.182	8%	0.077	C	C	.	.			trans	-65.4	139.4	-170.3	-177.1	24.2	0	0	0	112.7	T344 S350 K351 F373	T344-D348 PolarHBondContact O-N 2.87Å; D348-S350 VanDerWaalsContact C-N 3.35Å; D348-S350 PolarHBondContact OD1-N 3.27Å; D348-S350 WeakPolarHBondContact OD2-CB 2.97Å; D348-S350 PolarHBondContact OD2-OG 2.85Å; D348-K351 PolarHBondContact O-N 2.78Å; D348-F373 HydrophobicContact CB-CE2 4.41Å
349	E	60.1	Low	83	Confident	76 Å²	76	18.8 Å²	18.8	36%	0.355	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-31.2	-177.7	-172	-170.9	134.6	0	0	112.4	K351 L397	E349-K351 PolarHBondContact O-N 3.37Å; E349-K351 VanDerWaalsContact O-N 3.09Å; E349-L397 HydrophobicContact CG-CD1 4.24Å; E349-L397 WeakPolarHBondContact OE1-CB 3.22Å; E349-L397 WeakPolarHBondContact OE1-CD2 3.29Å; E349-L397 WeakPolarHBondContact OE2-CD2 3.34Å
350	S	56.8	Low	82.8	Confident	16 Å²	16	18.8 Å²	18.8	11%	0.112	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.7	174.2	80.4	0	0	0	0	112.2	D348 V352	D348-S350 VanDerWaalsContact C-N 3.35Å; D348-S350 PolarHBondContact OD1-N 3.27Å; D348-S350 WeakPolarHBondContact OD2-CB 2.97Å; D348-S350 PolarHBondContact OD2-OG 2.85Å; S350-V352 PolarHBondContact O-N 2.99Å; S350-V352 VanDerWaalsContact O-N 3.09Å; S350-V352 WeakPolarHBondContact OG-CB 3.35Å; S350-V352 PolarHBondContact OG-N 3.1Å
351	K	65	Low	82.5	Confident	66 Å²	66	25.2 Å²	25.2	29%	0.287	12%	0.119	S	C	.	.			trans	53.6	9.2	-165.4	-76.1	-166	165.8	-126.4	0	114.8	P103 D348 E349 H354 D355	P103-K351 PolarHBondContact O-NZ 3.5Å; D348-K351 PolarHBondContact O-N 2.78Å; E349-K351 PolarHBondContact O-N 3.37Å; E349-K351 VanDerWaalsContact O-N 3.09Å; K351-H354 HydrophobicContact CB-CB 4.47Å; K351-H354 PolarHBondContact NZ-NE2 3.31Å; K351-H354 VanDerWaalsContact NZ-NE2 3.11Å; K351-H354 PolarHBondContact O-N 2.83Å; K351-D355 VanDerWaalsContact O-CB 3.29Å; K351-D355 WeakPolarHBondContact O-CB 3.23Å; K351-D355 PolarHBondContact O-N 3.49Å
352	V	72.9	Confident	82.3	Confident	16 Å²	16	26.3 Å²	26.3	10%	0.097	13%	0.131	C	C	.	.	H	α-helix	trans	-66.8	-55	-175.6	177.8	0	0	0	0	110.7	S350 H354 I356 E372	S350-V352 PolarHBondContact O-N 2.99Å; S350-V352 VanDerWaalsContact O-N 3.09Å; S350-V352 WeakPolarHBondContact OG-CB 3.35Å; S350-V352 PolarHBondContact OG-N 3.1Å; V352-H354 VanDerWaalsContact C-N 3.31Å; V352-H354 PolarHBondContact O-N 3.47Å; V352-I356 HydrophobicContact CG1-CD1 3.86Å; V352-I356 WeakPolarHBondContact O-CB 3.44Å; V352-I356 WeakPolarHBondContact O-CD1 3.47Å; V352-I356 WeakPolarHBondContact O-CG1 3.32Å; V352-I356 PolarHBondContact O-N 2.89Å; V352-E372 HydrophobicContact CG1-CG 3.96Å
353	F	84.6	Confident	82.2	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-35.9	176.4	-171.2	-100.7	0	0	0	112.5	I342 L345 M346 I356 A357 L366 I370	I342-F353 HydrophobicContact CD1-CE1 4Å; I342-F353 HydrophobicContact CD1-CZ 4.22Å; L345-F353 HydrophobicContact CB-CD1 3.73Å; L345-F353 HydrophobicContact CB-CE1 4.03Å; L345-F353 HydrophobicContact CB-CG 4.23Å; L345-F353 HydrophobicContact CD2-CB 4.05Å; L345-F353 HydrophobicContact CD2-CD1 4.24Å; L345-F353 HydrophobicContact CD2-CD2 4.13Å; L345-F353 HydrophobicContact CD2-CG 3.86Å; M346-F353 HydrophobicContact SD-CD1 4.1Å; M346-F353 HydrophobicContact SD-CE1 3.64Å; F353-I356 PolarHBondContact O-N 3.39Å; F353-A357 WeakPolarHBondContact O-CB 3.38Å; F353-A357 PolarHBondContact O-N 3.13Å; F353-L366 HydrophobicContact CZ-CD2 4.38Å; F353-I370 HydrophobicContact CD2-CG1 4.4Å; F353-I370 HydrophobicContact CE2-CG1 3.74Å; F353-I370 HydrophobicContact CZ-CG1 4.37Å
354	H	83.8	Confident	82	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.028	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-55.2	175.9	172	96.2	0	0	0	112.2	P104 L106 K351 V352 I356 A357 Y358	P104-H354 PolarHBondContact O-CE1 3.23Å; P104-H354 PolarHBondContact O-NE2 2.96Å; L106-H354 WeakPolarHBondContact CD1-ND1 3.43Å; K351-H354 HydrophobicContact CB-CB 4.47Å; K351-H354 PolarHBondContact NZ-NE2 3.31Å; K351-H354 VanDerWaalsContact NZ-NE2 3.11Å; K351-H354 PolarHBondContact O-N 2.83Å; V352-H354 VanDerWaalsContact C-N 3.31Å; V352-H354 PolarHBondContact O-N 3.47Å; H354-I356 VanDerWaalsContact C-N 3.27Å; H354-I356 PolarHBondContact O-N 3.46Å; H354-A357 WeakPolarHBondContact O-CB 3.17Å; H354-A357 PolarHBondContact O-N 3Å; H354-Y358 AromaticContact CE1-CE2 3.61Å; H354-Y358 AromaticContact ND1-CE2 3.97Å; H354-Y358 AromaticContact NE2-CE2 3.9Å; H354-Y358 WeakPolarHBondContact O-CD2 3.23Å; H354-Y358 PolarHBondContact O-N 2.56Å
355	D	83.4	Confident	82	Confident	15 Å²	15	38.4 Å²	38.4	8%	0.08	18%	0.179	C	C	.	.	H	α-helix	trans	-60.2	-38.8	177.5	-73.8	2.1	0	0	0	110.4	L94 P103 K351 Y358 K359 K404	L94-D355 HydrophobicContact CD2-CB 3.79Å; P103-D355 VanDerWaalsContact CG-OD1 3.27Å; P103-D355 WeakPolarHBondContact CG-OD1 3.14Å; K351-D355 VanDerWaalsContact O-CB 3.29Å; K351-D355 WeakPolarHBondContact O-CB 3.23Å; K351-D355 PolarHBondContact O-N 3.49Å; D355-Y358 PolarHBondContact O-N 3.4Å; D355-K359 WeakPolarHBondContact O-CB 3.42Å; D355-K359 PolarHBondContact O-N 2.95Å; D355-K404 IonicContact OD2-NZ 3.27Å; D355-K404 PolarHBondContact OD2-NZ 2.86Å
356	I	86.9	Confident	82	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-41.9	173.3	-68.5	165.7	0	0	0	111.4	I90 V352 F353 H354 Y358 K359 A360 D365	I90-I356 HydrophobicContact CD1-CD1 4.12Å; I90-I356 HydrophobicContact CG1-CD1 3.91Å; I90-I356 HydrophobicContact CG2-CD1 4.03Å; V352-I356 HydrophobicContact CG1-CD1 3.86Å; V352-I356 WeakPolarHBondContact O-CB 3.44Å; V352-I356 WeakPolarHBondContact O-CD1 3.47Å; V352-I356 WeakPolarHBondContact O-CG1 3.32Å; V352-I356 PolarHBondContact O-N 2.89Å; F353-I356 PolarHBondContact O-N 3.39Å; H354-I356 VanDerWaalsContact C-N 3.27Å; H354-I356 PolarHBondContact O-N 3.46Å; I356-Y358 VanDerWaalsContact C-N 3.33Å; I356-Y358 PolarHBondContact O-N 3.04Å; I356-K359 CarbonylContact O-C 3.6Å; I356-K359 PolarHBondContact O-N 2.53Å; I356-A360 WeakPolarHBondContact O-CA 3.48Å; I356-A360 VanDerWaalsContact O-CB 3.23Å; I356-A360 WeakPolarHBondContact O-CB 3.45Å; I356-A360 PolarHBondContact O-N 3.27Å; I356-D365 WeakPolarHBondContact CG2-O 3.45Å
357	A	88.4	Confident	82.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-35.7	-179.6	0	0	0	0	0	112.6	R302 F321 M346 F353 H354 L366	R302-A357 WeakPolarHBondContact CD-O 3.49Å; R302-A357 PolarHBondContact NH1-O 3.11Å; F321-A357 HydrophobicContact CE1-CB 3.93Å; F321-A357 HydrophobicContact CZ-CB 4.03Å; M346-A357 HydrophobicContact CE-CB 4.25Å; M346-A357 HydrophobicContact SD-CB 4.29Å; F353-A357 WeakPolarHBondContact O-CB 3.38Å; F353-A357 PolarHBondContact O-N 3.13Å; H354-A357 WeakPolarHBondContact O-CB 3.17Å; H354-A357 PolarHBondContact O-N 3Å; A357-L366 HydrophobicContact CB-CD2 4.42Å
358	Y	87.9	Confident	82.5	Confident	43 Å²	43	39.1 Å²	39.1	17%	0.169	18%	0.183	C	C	.	.	H	α-helix	trans	-70.3	-41.4	170.6	-77.9	-87.5	0	0	0	112.5	P103 E281 R302 R320 F321 H354 D355 I356	P103-Y358 HydrophobicContact CB-CD2 3.96Å; P103-Y358 HydrophobicContact CB-CE2 3.96Å; P103-Y358 HydrophobicContact CB-CG 4.37Å; E281-Y358 PolarHBondContact OE2-OH 3.22Å; R302-Y358 PolarHBondContact NH1-O 3.21Å; R302-Y358 VanDerWaalsContact NH1-O 3.13Å; R320-Y358 HydrophobicContact CG-CE1 3.86Å; F321-Y358 HydrophobicContact CE2-CD1 4.5Å; F321-Y358 HydrophobicContact CE2-CD2 4.15Å; F321-Y358 HydrophobicContact CE2-CE1 4.03Å; F321-Y358 AromaticContact CE2-CE2 3.63Å; F321-Y358 HydrophobicContact CE2-CE2 3.63Å; F321-Y358 AromaticContact CE2-CZ 3.56Å; F321-Y358 HydrophobicContact CZ-CD1 4.16Å; F321-Y358 AromaticContact CZ-CD2 3.93Å; F321-Y358 HydrophobicContact CZ-CD2 3.93Å; F321-Y358 HydrophobicContact CZ-CE1 4.15Å; F321-Y358 AromaticContact CZ-CE2 3.9Å; F321-Y358 HydrophobicContact CZ-CE2 3.9Å; F321-Y358 HydrophobicContact CZ-CG 4.05Å; H354-Y358 AromaticContact CE1-CE2 3.61Å; H354-Y358 AromaticContact ND1-CE2 3.97Å; H354-Y358 AromaticContact NE2-CE2 3.9Å; H354-Y358 WeakPolarHBondContact O-CD2 3.23Å; H354-Y358 PolarHBondContact O-N 2.56Å; D355-Y358 PolarHBondContact O-N 3.4Å; I356-Y358 VanDerWaalsContact C-N 3.33Å; I356-Y358 PolarHBondContact O-N 3.04Å
359	K	86.4	Confident	83.1	Confident	66 Å²	66	37.5 Å²	37.5	29%	0.287	17%	0.174	S	C	.	.	H	α-helix	trans	-87.8	-12.3	-175.1	-67.7	-167.6	174.3	-164.3	0	115.8	I93 E96 D355 I356 K361	I93-K359 HydrophobicContact CG2-CB 3.68Å; I93-K359 HydrophobicContact CG2-CD 4.22Å; I93-K359 VanDerWaalsContact O-CD 3.23Å; I93-K359 WeakPolarHBondContact O-CD 3.09Å; I93-K359 PolarHBondContact O-NZ 3.17Å; E96-K359 PolarHBondContact O-NZ 2.94Å; D355-K359 WeakPolarHBondContact O-CB 3.42Å; D355-K359 PolarHBondContact O-N 2.95Å; I356-K359 CarbonylContact O-C 3.6Å; I356-K359 PolarHBondContact O-N 2.53Å; K359-K361 PolarHBondContact O-N 2.73Å
360	A	88.8	Confident	84.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.157	C	C	.	.			trans	-57.5	135.2	-173.4	0	0	0	0	0	112	L170 R302 I356 D365 L366	L170-A360 HydrophobicContact CD1-CB 4.36Å; R302-A360 PolarHBondContact NH1-O 2.93Å; R302-A360 PolarHBondContact NH2-O 2.87Å; I356-A360 WeakPolarHBondContact O-CA 3.48Å; I356-A360 VanDerWaalsContact O-CB 3.23Å; I356-A360 WeakPolarHBondContact O-CB 3.45Å; I356-A360 PolarHBondContact O-N 3.27Å; A360-D365 HydrophobicContact CB-CB 4Å; A360-L366 HydrophobicContact CB-CD2 3.94Å; A360-L366 HydrophobicContact CB-CG 4.13Å
361	K	87	Confident	86	Confident	155 Å²	155	35 Å²	35	67%	0.674	16%	0.162	S	C	*	.			trans	-106.5	-11.1	176.5	-65.6	168.9	-171.2	162.2	0	111.3	E96 K359 D365	E96-K361 IonicContact OE1-NZ 3.79Å; E96-K361 IonicContact OE2-NZ 2.7Å; E96-K361 PolarHBondContact OE2-NZ 3.49Å; K359-K361 PolarHBondContact O-N 2.73Å; K361-D365 PolarHBondContact N-OD2 3.36Å
362	G	87.9	Confident	86.9	Confident	24 Å²	24	32.6 Å²	32.6	25%	0.247	15%	0.152	C	C	.	.	S	Bend	trans	-173.3	-179.4	168.5	0	0	0	0	0	114.8	K364 D365	G362-K364 PolarHBondContact O-N 2.99Å; G362-D365 PolarHBondContact N-OD2 3.47Å; G362-D365 VanDerWaalsContact N-OD2 3.08Å; G362-D365 WeakPolarHBondContact O-CB 3.49Å; G362-D365 PolarHBondContact O-N 3.32Å
363	R	90.1	Very high	87.5	Confident	112 Å²	112	32.9 Å²	32.9	42%	0.423	15%	0.152	S	C	.	.	H	α-helix	trans	-53	-31.9	-171.9	72.3	175.6	66.4	-155.7	-3.1	115.8	E164 I168 D365 L367	E164-R363 PolarHBondContact O-NH1 3.28Å; I168-R363 HydrophobicContact CD1-CB 3.6Å; R363-D365 VanDerWaalsContact C-N 3.25Å; R363-D365 PolarHBondContact O-N 3.16Å; R363-L367 WeakPolarHBondContact O-CG 3.23Å; R363-L367 PolarHBondContact O-N 3.41Å; R363-L367 VanDerWaalsContact O-N 3.09Å
364	K	89.6	Confident	87.6	Confident	147 Å²	147	34.4 Å²	34.4	64%	0.639	16%	0.16	S	C	*	.	H	α-helix	trans	-69.3	-22.9	-179.3	-66.6	-169.8	176	-171.6	0	113.3	G362 A368	G362-K364 PolarHBondContact O-N 2.99Å; K364-A368 WeakPolarHBondContact O-CB 3.29Å; K364-A368 PolarHBondContact O-N 2.92Å; K364-A368 VanDerWaalsContact O-N 3.15Å
365	D	89.6	Confident	87.5	Confident	14 Å²	14	40.8 Å²	40.8	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-80.7	-41.9	-179.3	-51.1	-30.4	0	0	0	109.9	R89 I93 I356 A360 K361 G362 R363 A368 G369	R89-D365 IonicContact CZ-OD1 2.76Å; R89-D365 IonicContact NH1-OD1 3.28Å; R89-D365 PolarHBondContact NH1-OD1 2.98Å; I93-D365 HydrophobicContact CD1-CB 3.86Å; I356-D365 WeakPolarHBondContact CG2-O 3.45Å; A360-D365 HydrophobicContact CB-CB 4Å; K361-D365 PolarHBondContact N-OD2 3.36Å; G362-D365 PolarHBondContact N-OD2 3.47Å; G362-D365 VanDerWaalsContact N-OD2 3.08Å; G362-D365 WeakPolarHBondContact O-CB 3.49Å; G362-D365 PolarHBondContact O-N 3.32Å; R363-D365 VanDerWaalsContact C-N 3.25Å; R363-D365 PolarHBondContact O-N 3.16Å; D365-A368 PolarHBondContact O-N 2.84Å; D365-G369 PolarHBondContact O-N 3.37Å
366	L	89.8	Confident	87.1	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-44.2	171.2	-62.7	174.3	0	0	0	111.6	I163 I168 F300 F353 A357 A360 A368 G369 I370	I163-L366 HydrophobicContact CG2-CB 4.32Å; I168-L366 HydrophobicContact CD1-CD1 4.04Å; I168-L366 HydrophobicContact CG2-CD1 4.02Å; F300-L366 HydrophobicContact CD1-CD1 3.78Å; F300-L366 HydrophobicContact CE1-CD1 3.76Å; F300-L366 HydrophobicContact CE1-CD2 4.29Å; F300-L366 HydrophobicContact CZ-CD1 4.47Å; F300-L366 HydrophobicContact CZ-CD2 4.41Å; F353-L366 HydrophobicContact CZ-CD2 4.38Å; A357-L366 HydrophobicContact CB-CD2 4.42Å; A360-L366 HydrophobicContact CB-CD2 3.94Å; A360-L366 HydrophobicContact CB-CG 4.13Å; L366-A368 VanDerWaalsContact C-N 3.34Å; L366-A368 PolarHBondContact O-N 3.25Å; L366-G369 PolarHBondContact O-N 3.25Å; L366-I370 WeakPolarHBondContact O-CG1 3.43Å; L366-I370 PolarHBondContact O-N 3.15Å; L366-I370 VanDerWaalsContact O-N 3.08Å
367	L	91.6	Very high	86.6	Confident	22 Å²	22	45.4 Å²	45.4	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-40	175.9	-71.4	170.8	0	0	0	112.5	K160 I163 E164 R363 G369 I370 D371	K160-L367 HydrophobicContact CG-CD2 3.77Å; I163-L367 HydrophobicContact CB-CD2 4.37Å; I163-L367 HydrophobicContact CG2-CD2 3.94Å; I163-L367 HydrophobicContact CG2-CG 4.25Å; E164-L367 HydrophobicContact CB-CD1 4.23Å; E164-L367 HydrophobicContact CB-CD2 4.19Å; E164-L367 HydrophobicContact CG-CD1 4.34Å; R363-L367 WeakPolarHBondContact O-CG 3.23Å; R363-L367 PolarHBondContact O-N 3.41Å; R363-L367 VanDerWaalsContact O-N 3.09Å; L367-G369 VanDerWaalsContact C-N 3.35Å; L367-I370 PolarHBondContact O-N 3.34Å; L367-D371 PolarHBondContact O-N 3.18Å; L367-D371 VanDerWaalsContact O-N 3.13Å
368	A	87.9	Confident	86.1	Confident	6 Å²	6	52.4 Å²	52.4	5%	0.05	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-41	174.4	0	0	0	0	0	111.6	P86 I90 K364 D365 L366 I370 D371 E372	P86-A368 HydrophobicContact CB-CB 4.31Å; I90-A368 HydrophobicContact CD1-CB 4.15Å; I90-A368 HydrophobicContact CG1-CB 4.16Å; K364-A368 WeakPolarHBondContact O-CB 3.29Å; K364-A368 PolarHBondContact O-N 2.92Å; K364-A368 VanDerWaalsContact O-N 3.15Å; D365-A368 PolarHBondContact O-N 2.84Å; L366-A368 VanDerWaalsContact C-N 3.34Å; L366-A368 PolarHBondContact O-N 3.25Å; A368-I370 VanDerWaalsContact C-N 3.31Å; A368-I370 PolarHBondContact O-N 3.1Å; A368-D371 PolarHBondContact O-N 2.96Å; A368-D371 VanDerWaalsContact O-N 3.16Å; A368-E372 PolarHBondContact O-N 2.69Å
369	G	87.2	Confident	85.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-31.9	175.6	0	0	0	0	0	114.3	D365 L366 L367 F373	D365-G369 PolarHBondContact O-N 3.37Å; L366-G369 PolarHBondContact O-N 3.25Å; L367-G369 VanDerWaalsContact C-N 3.35Å; G369-F373 WeakPolarHBondContact O-CB 3.28Å; G369-F373 PolarHBondContact O-N 3.43Å; G369-F373 VanDerWaalsContact O-N 3.13Å
370	I	89.6	Confident	85.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-70.3	-39.2	172.9	-62	166.6	0	0	0	110.6	K160 I163 L345 F353 L366 L367 A368 F373 L374	K160-I370 HydrophobicContact CB-CG2 4.3Å; I163-I370 HydrophobicContact CB-CD1 4.37Å; I163-I370 HydrophobicContact CD1-CD1 3.66Å; I163-I370 HydrophobicContact CG2-CD1 4.34Å; L345-I370 HydrophobicContact CD1-CG1 4.38Å; F353-I370 HydrophobicContact CD2-CG1 4.4Å; F353-I370 HydrophobicContact CE2-CG1 3.74Å; F353-I370 HydrophobicContact CZ-CG1 4.37Å; L366-I370 WeakPolarHBondContact O-CG1 3.43Å; L366-I370 PolarHBondContact O-N 3.15Å; L366-I370 VanDerWaalsContact O-N 3.08Å; L367-I370 PolarHBondContact O-N 3.34Å; A368-I370 VanDerWaalsContact C-N 3.31Å; A368-I370 PolarHBondContact O-N 3.1Å; I370-F373 PolarHBondContact O-N 3.07Å; I370-L374 HydrophobicContact CG2-CD1 4.2Å; I370-L374 WeakPolarHBondContact O-CG 3.26Å; I370-L374 PolarHBondContact O-N 2.97Å
371	D	88.4	Confident	84.6	Confident	41 Å²	41	59 Å²	59	22%	0.219	30%	0.302	C	S	.	.	H	α-helix	trans	-67.3	-41.2	178.6	-74.5	-21.3	0	0	0	112	K160 L367 A368 L374 D375	K160-D371 VanDerWaalsContact CE-OD1 3.27Å; K160-D371 WeakPolarHBondContact CE-OD1 3.48Å; K160-D371 IonicContact NZ-OD1 3.01Å; K160-D371 PolarHBondContact NZ-OD1 2.83Å; K160-D371 IonicContact NZ-OD2 3.66Å; K160-D371 PolarHBondContact NZ-OD2 3.1Å; L367-D371 PolarHBondContact O-N 3.18Å; L367-D371 VanDerWaalsContact O-N 3.13Å; A368-D371 PolarHBondContact O-N 2.96Å; A368-D371 VanDerWaalsContact O-N 3.16Å; D371-L374 WeakPolarHBondContact O-CB 3.15Å; D371-L374 PolarHBondContact O-N 2.98Å; D371-D375 PolarHBondContact O-N 3.14Å
372	E	84	Confident	83.7	Confident	15 Å²	15	57.8 Å²	57.8	7%	0.07	31%	0.31	C	S	.	.	H	α-helix	trans	-64	-40.1	173.5	-169.6	75.8	-147.2	0	0	112.1	I90 V352 A368 L374 D375 E376 Y407	I90-E372 HydrophobicContact CD1-CB 3.49Å; I90-E372 VanDerWaalsContact CD1-CB 3.49Å; I90-E372 HydrophobicContact CD1-CG 3.87Å; I90-E372 WeakPolarHBondContact CD1-OE2 3.44Å; V352-E372 HydrophobicContact CG1-CG 3.96Å; A368-E372 PolarHBondContact O-N 2.69Å; E372-L374 VanDerWaalsContact C-N 3.35Å; E372-D375 PolarHBondContact O-N 2.92Å; E372-E376 PolarHBondContact O-N 3.5Å; E372-Y407 WeakPolarHBondContact OE1-CE1 3.23Å; E372-Y407 VanDerWaalsContact OE1-CZ 3.24Å; E372-Y407 PolarHBondContact OE1-OH 2.8Å
373	F	85.3	Confident	82.4	Confident	22 Å²	22	60.2 Å²	60.2	10%	0.096	34%	0.335	C	S	.	.	H	α-helix	trans	-62.6	-41.7	172.6	178.9	-97.6	0	0	0	111.7	L151 L156 L345 D348 G369 I370 D375 E376 V377	L151-F373 HydrophobicContact CD1-CE1 4.39Å; L151-F373 HydrophobicContact CD1-CZ 4.45Å; L156-F373 HydrophobicContact CD1-CE1 4.11Å; L156-F373 HydrophobicContact CD2-CD1 4.19Å; L156-F373 HydrophobicContact CD2-CE1 3.94Å; L345-F373 HydrophobicContact CD2-CB 3.59Å; L345-F373 HydrophobicContact CD2-CD1 3.46Å; L345-F373 VanDerWaalsContact CD2-CD1 3.46Å; L345-F373 HydrophobicContact CD2-CD2 3.72Å; L345-F373 HydrophobicContact CD2-CE1 3.98Å; L345-F373 HydrophobicContact CD2-CE2 4.22Å; L345-F373 HydrophobicContact CD2-CG 3.3Å; L345-F373 HydrophobicContact CD2-CZ 4.33Å; L345-F373 HydrophobicContact CG-CD1 4.15Å; L345-F373 HydrophobicContact CG-CE1 4.23Å; L345-F373 HydrophobicContact CG-CG 4.37Å; D348-F373 HydrophobicContact CB-CE2 4.41Å; G369-F373 WeakPolarHBondContact O-CB 3.28Å; G369-F373 PolarHBondContact O-N 3.43Å; G369-F373 VanDerWaalsContact O-N 3.13Å; I370-F373 PolarHBondContact O-N 3.07Å; F373-D375 VanDerWaalsContact C-N 3.29Å; F373-D375 PolarHBondContact O-N 2.81Å; F373-E376 PolarHBondContact O-N 3.33Å; F373-E376 VanDerWaalsContact O-N 3.07Å; F373-V377 HydrophobicContact CD1-CG2 3.72Å; F373-V377 HydrophobicContact CE1-CG2 3.38Å; F373-V377 HydrophobicContact CE2-CG2 4.38Å; F373-V377 HydrophobicContact CG-CG2 4.37Å; F373-V377 HydrophobicContact CZ-CG2 3.76Å; F373-V377 VanDerWaalsContact O-CG2 3.3Å; F373-V377 WeakPolarHBondContact O-CG2 3.27Å; F373-V377 PolarHBondContact O-N 2.71Å; F373-V377 VanDerWaalsContact O-N 3.07Å
374	L	85.9	Confident	81.1	Confident	34 Å²	34	63.1 Å²	63.1	18%	0.178	35%	0.354	C	S	.	.	H	α-helix	trans	-61.6	-35.4	176.2	-79.5	169.1	0	0	0	112.8	L156 M157 I370 D371 E372 E376 V377	L156-L374 HydrophobicContact CB-CD2 4.05Å; L156-L374 HydrophobicContact CD1-CD2 4.03Å; M157-L374 HydrophobicContact SD-CD1 4Å; I370-L374 HydrophobicContact CG2-CD1 4.2Å; I370-L374 WeakPolarHBondContact O-CG 3.26Å; I370-L374 PolarHBondContact O-N 2.97Å; D371-L374 WeakPolarHBondContact O-CB 3.15Å; D371-L374 PolarHBondContact O-N 2.98Å; E372-L374 VanDerWaalsContact C-N 3.35Å; L374-E376 VanDerWaalsContact C-N 3.28Å; L374-E376 PolarHBondContact O-N 3.42Å; L374-V377 PolarHBondContact O-N 3.16Å
375	D	81.9	Confident	79.8	Confident	140 Å²	140	61 Å²	61	75%	0.749	34%	0.342	S	S	*	.	H	α-helix	trans	-69.3	-23.7	174.3	-75.4	-21	0	0	0	112.7	D371 E372 F373	D371-D375 PolarHBondContact O-N 3.14Å; E372-D375 PolarHBondContact O-N 2.92Å; F373-D375 VanDerWaalsContact C-N 3.29Å; F373-D375 PolarHBondContact O-N 2.81Å
376	E	74.4	Confident	78.6	Confident	59 Å²	59	64.4 Å²	64.4	28%	0.276	36%	0.36	S	S	.	.	H	α-helix	trans	-89.2	-17	174.2	-66.7	-162.4	149.2	0	0	114.6	E372 F373 L374 I378 R403	E372-E376 PolarHBondContact O-N 3.5Å; F373-E376 PolarHBondContact O-N 3.33Å; F373-E376 VanDerWaalsContact O-N 3.07Å; L374-E376 VanDerWaalsContact C-N 3.28Å; L374-E376 PolarHBondContact O-N 3.42Å; E376-I378 PolarHBondContact O-N 3.36Å; E376-R403 VanDerWaalsContact OE1-CD 3.25Å; E376-R403 WeakPolarHBondContact OE1-CD 3.46Å; E376-R403 IonicContact OE1-CZ 3.96Å; E376-R403 IonicContact OE1-NE 2.66Å; E376-R403 IonicContact OE1-NH1 2.74Å; E376-R403 PolarHBondContact OE1-NH1 2.98Å; E376-R403 IonicContact OE2-CZ 3.41Å; E376-R403 IonicContact OE2-NH1 3.43Å; E376-R403 PolarHBondContact OE2-NH1 3.26Å
377	V	77.9	Confident	77.5	Confident	52 Å²	52	68.9 Å²	68.9	32%	0.315	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-74.1	126.4	-175	167.6	0	0	0	0	112.4	F373 L374	F373-V377 HydrophobicContact CD1-CG2 3.72Å; F373-V377 HydrophobicContact CE1-CG2 3.38Å; F373-V377 HydrophobicContact CE2-CG2 4.38Å; F373-V377 HydrophobicContact CG-CG2 4.37Å; F373-V377 HydrophobicContact CZ-CG2 3.76Å; F373-V377 VanDerWaalsContact O-CG2 3.3Å; F373-V377 WeakPolarHBondContact O-CG2 3.27Å; F373-V377 PolarHBondContact O-N 2.71Å; F373-V377 VanDerWaalsContact O-N 3.07Å; L374-V377 PolarHBondContact O-N 3.16Å
378	I	77.9	Confident	76.2	Confident	148 Å²	148	71.8 Å²	71.8	76%	0.759	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-81.3	118.6	170.4	-57.7	175.2	0	0	0	109.6	E376	E376-I378 PolarHBondContact O-N 3.36Å
379	V	80.6	Confident	75.3	Confident	100 Å²	100	75.3 Å²	75.3	61%	0.606	42%	0.422	S	S	*	.	P	Polyproline II helix	trans	-85.9	124.7	177.9	-178.2	0	0	0	0	110.8	L153	L153-V379 HydrophobicContact CD1-CG2 3.94Å
380	L	76.1	Confident	74.7	Confident	81 Å²	81	79.8 Å²	79.8	42%	0.424	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-91.5	138.6	172.4	-61.9	176.2	0	0	0	110.9	W385 I391	L380-W385 HydrophobicContact CD1-CD2 4.45Å; L380-W385 HydrophobicContact CD1-CG 4.42Å; L380-I391 HydrophobicContact CD1-CD1 4.15Å
381	P	74.8	Confident	74.1	Confident	66 Å²	66	82.3 Å²	82.3	43%	0.429	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-70.9	128.5	179.2	28	-33.5	0	0	0	111.4	G383 E384	P381-G383 PolarHBondContact O-N 2.91Å; P381-G383 VanDerWaalsContact O-N 3.16Å; P381-E384 PolarHBondContact O-N 3.13Å
382	P	68.1	Low	73.2	Confident	129 Å²	129	84.5 Å²	84.5	84%	0.838	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-7.6	-173.1	30.2	-37.1	0	0	0	114.6
383	G	60.7	Low	72.4	Confident	75 Å²	75	85.9 Å²	85.9	77%	0.773	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-15.8	179.8	0	0	0	0	0	114.8	P381	P381-G383 PolarHBondContact O-N 2.91Å; P381-G383 VanDerWaalsContact O-N 3.16Å
384	E	61.2	Low	71	Confident	174 Å²	174	88.2 Å²	88.2	81%	0.813	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	-6.2	-173.8	-63.5	-178.3	163.9	0	0	113	P381	P381-E384 PolarHBondContact O-N 3.13Å
385	W	63.7	Low	69.1	Low	101 Å²	101	89.4 Å²	89.4	38%	0.383	49%	0.492	S	S	.	.			trans	-133.9	128.7	-173.9	-165.3	-83.3	0	0	0	112.1	L380 P387 I389 I391	L380-W385 HydrophobicContact CD1-CD2 4.45Å; L380-W385 HydrophobicContact CD1-CG 4.42Å; W385-P387 WeakPolarHBondContact O-CD 3.32Å; W385-I389 HydrophobicContact CH2-CG2 4.41Å; W385-I389 HydrophobicContact CZ2-CB 4.27Å; W385-I389 HydrophobicContact CZ2-CG2 3.7Å; W385-I391 HydrophobicContact CH2-CG1 4.25Å; W385-I391 HydrophobicContact CZ2-CD1 3.94Å; W385-I391 HydrophobicContact CZ2-CG1 3.57Å
386	D	64.6	Low	67.2	Low	87 Å²	87	83.8 Å²	83.8	47%	0.465	46%	0.464	S	S	.	.			trans	-82.3	120.7	172.7	171	9.8	0	0	0	110.3	D388 I389	D386-D388 PolarHBondContact O-N 3.3Å; D386-D388 VanDerWaalsContact O-N 3.14Å; D386-D388 PolarHBondContact OD1-N 3.3Å; D386-I389 HydrophobicContact CB-CD1 3.8Å; D386-I389 HydrophobicContact CB-CG1 3.89Å; D386-I389 WeakPolarHBondContact O-CB 3.42Å; D386-I389 PolarHBondContact O-N 2.87Å
387	P	65	Low	65.9	Low	95 Å²	95	83.7 Å²	83.7	62%	0.617	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.5	179.1	-25.2	35.1	0	0	0	115.7	T150 W385 I389	T150-P387 PolarHBondContact OG1-O 3.47Å; W385-P387 WeakPolarHBondContact O-CD 3.32Å; P387-I389 VanDerWaalsContact C-N 3.32Å
388	D	65.3	Low	64.4	Low	83 Å²	83	85.4 Å²	85.4	44%	0.444	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.8	176.9	-104.3	-22.3	0	0	0	112.6	K135 K138 D386 R390	K135-D388 IonicContact NZ-OD1 2.65Å; K138-D388 IonicContact NZ-OD1 2.72Å; K138-D388 IonicContact NZ-OD2 2.71Å; K138-D388 PolarHBondContact NZ-OD2 3.18Å; D386-D388 PolarHBondContact O-N 3.3Å; D386-D388 VanDerWaalsContact O-N 3.14Å; D386-D388 PolarHBondContact OD1-N 3.3Å; D388-R390 PolarHBondContact O-N 2.82Å
389	I	68.4	Low	62.7	Low	80 Å²	80	81.4 Å²	81.4	41%	0.41	46%	0.462	S	S	.	.	S	Bend	trans	-68.6	121.1	173.7	-65.1	174.4	0	0	0	110.2	W385 D386 P387	W385-I389 HydrophobicContact CH2-CG2 4.41Å; W385-I389 HydrophobicContact CZ2-CB 4.27Å; W385-I389 HydrophobicContact CZ2-CG2 3.7Å; D386-I389 HydrophobicContact CB-CD1 3.8Å; D386-I389 HydrophobicContact CB-CG1 3.89Å; D386-I389 WeakPolarHBondContact O-CB 3.42Å; D386-I389 PolarHBondContact O-N 2.87Å; P387-I389 VanDerWaalsContact C-N 3.32Å
390	R	74.6	Confident	60.9	Low	93 Å²	93	79.5 Å²	79.5	35%	0.351	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-84	116.1	179.8	-56	-178.4	-173.3	160.2	-5.7	110.1	E137 H147 D388 E392	E137-R390 IonicContact OE1-CZ 3.67Å; E137-R390 VanDerWaalsContact OE1-CZ 3.28Å; E137-R390 IonicContact OE1-NH1 3.97Å; E137-R390 PolarHBondContact OE1-NH1 2.91Å; E137-R390 IonicContact OE1-NH2 3Å; E137-R390 PolarHBondContact OE1-NH2 2.93Å; H147-R390 HydrophobicContact CB-CB 3.92Å; D388-R390 PolarHBondContact O-N 2.82Å; R390-E392 PolarHBondContact O-N 3.02Å
391	I	76.6	Confident	59.3	Low	53 Å²	53	81.1 Å²	81.1	27%	0.272	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-76.6	119.8	172	-61.8	170	0	0	0	108.3	H147 V148 T150 L380 W385	H147-I391 WeakPolarHBondContact CA-O 3.36Å; H147-I391 WeakPolarHBondContact CB-O 3.49Å; V148-I391 HydrophobicContact CB-CB 4.15Å; V148-I391 HydrophobicContact CB-CG2 4.19Å; V148-I391 HydrophobicContact CG2-CB 4.43Å; V148-I391 HydrophobicContact CG2-CG2 4Å; V148-I391 PolarHBondContact N-O 2.8Å; T150-I391 HydrophobicContact CG2-CD1 4.06Å; L380-I391 HydrophobicContact CD1-CD1 4.15Å; W385-I391 HydrophobicContact CH2-CG1 4.25Å; W385-I391 HydrophobicContact CZ2-CD1 3.94Å; W385-I391 HydrophobicContact CZ2-CG1 3.57Å
392	E	70.4	Confident	57.9	Low	87 Å²	87	86.2 Å²	86.2	41%	0.407	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-68.3	140.5	174.9	-67.2	-161.3	145.4	0	0	110	K145 R390	K145-E392 IonicContact NZ-OE1 3.94Å; K145-E392 PolarHBondContact NZ-OE1 3.42Å; R390-E392 PolarHBondContact O-N 3.02Å
393	P	67.5	Low	57	Low	44 Å²	44	84.6 Å²	84.6	29%	0.286	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-66.7	148.1	-175.1	27	-34.9	0	0	0	112.6	F132	F132-P393 HydrophobicContact CD1-CB 3.91Å; F132-P393 HydrophobicContact CD2-CB 3.8Å; F132-P393 HydrophobicContact CD2-CG 4.17Å; F132-P393 HydrophobicContact CE1-CB 3.58Å; F132-P393 HydrophobicContact CE2-CB 3.46Å; F132-P393 VanDerWaalsContact CE2-CB 3.46Å; F132-P393 HydrophobicContact CE2-CG 4.13Å; F132-P393 HydrophobicContact CG-CB 4.01Å; F132-P393 HydrophobicContact CZ-CB 3.34Å; F132-P393 HydrophobicContact CZ-CG 4.46Å
394	P	56.4	Low	56.2	Low	72 Å²	72	86.3 Å²	86.3	47%	0.468	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-64.8	151.3	178.9	26.4	-33.2	0	0	0	112.5	L397	P394-L397 HydrophobicContact CG-CD2 4Å
395	K	44.7	Very low	55.4	Low	58 Å²	58	83.8 Å²	83.8	25%	0.252	43%	0.433	S	S	.	.	S	Bend	trans	-72.5	-29.9	-170.7	-67.7	173.3	-175.7	169.7	0	113.2	K877 D1022	K395-K877 WeakPolarHBondContact O-CE 3.48Å; K395-K877 PolarHBondContact O-NZ 2.78Å; K395-D1022 PolarHBondContact NZ-O 2.97Å
396	S	41.8	Very low	54.5	Low	22 Å²	22	84.4 Å²	84.4	15%	0.154	44%	0.442	C	S	.	.	S	Bend	trans	-125.9	165.7	162.1	34.6	0	0	0	0	110.2	S1019 E1020	S396-S1019 WeakPolarHBondContact OG-CB 3.48Å; S396-S1019 PolarHBondContact OG-O 2.99Å; S396-S1019 PolarHBondContact OG-OG 3.33Å; S396-E1020 VanDerWaalsContact C-OE1 3.31Å; S396-E1020 VanDerWaalsContact CB-OE1 3.27Å; S396-E1020 WeakPolarHBondContact CB-OE1 3.4Å; S396-E1020 WeakPolarHBondContact OG-CG 3.15Å; S396-E1020 PolarHBondContact OG-OE1 3.3Å
397	L	47.9	Very low	53.6	Low	58 Å²	58	81.7 Å²	81.7	30%	0.304	43%	0.425	S	S	.	.			trans	-116.1	129	-179.3	-69.4	-174.1	0	0	0	107.6	K131 F132 E349 P394 S399	K131-L397 HydrophobicContact CD-CD1 4.47Å; F132-L397 HydrophobicContact CZ-CD2 4.13Å; E349-L397 HydrophobicContact CG-CD1 4.24Å; E349-L397 WeakPolarHBondContact OE1-CB 3.22Å; E349-L397 WeakPolarHBondContact OE1-CD2 3.29Å; E349-L397 WeakPolarHBondContact OE2-CD2 3.34Å; P394-L397 HydrophobicContact CG-CD2 4Å; L397-S399 PolarHBondContact O-N 2.87Å
398	P	46.1	Very low	52.6	Low	88 Å²	88	81.1 Å²	81.1	57%	0.571	43%	0.428	S	S	*	.			trans	-59	125	178.2	-23.4	33.9	0	0	0	111.1	S400	P398-S400 PolarHBondContact O-N 3.37Å; P398-S400 VanDerWaalsContact O-N 3.13Å
399	S	42.4	Very low	51.1	Low	63 Å²	63	80.1 Å²	80.1	44%	0.441	44%	0.438	S	S	.	.			trans	-56.5	118	-178.6	57.9	0	0	0	0	112	L397 D401 K402	L397-S399 PolarHBondContact O-N 2.87Å; S399-D401 PolarHBondContact O-N 3.23Å; S399-D401 VanDerWaalsContact O-N 3.1Å; S399-K402 PolarHBondContact O-N 3.1Å
400	S	42.5	Very low	49.3	Very low	60 Å²	60	78.9 Å²	78.9	42%	0.42	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.6	-177.3	49.1	0	0	0	0	114.4	P398 K402 R403 K404	P398-S400 PolarHBondContact O-N 3.37Å; P398-S400 VanDerWaalsContact O-N 3.13Å; S400-K402 PolarHBondContact O-N 3.41Å; S400-R403 WeakPolarHBondContact O-CA 3.36Å; S400-R403 WeakPolarHBondContact O-CB 3.29Å; S400-R403 PolarHBondContact O-N 3.47Å; S400-K404 PolarHBondContact O-N 2.79Å; S400-K404 VanDerWaalsContact O-N 3.17Å
401	D	41.8	Very low	47	Very low	115 Å²	115	83.5 Å²	83.5	62%	0.615	47%	0.471	S	S	*	.	H	α-helix	trans	-58.2	-32.8	177.9	-58.2	-37	0	0	0	113.4	S399 R403	S399-D401 PolarHBondContact O-N 3.23Å; S399-D401 VanDerWaalsContact O-N 3.1Å; D401-R403 PolarHBondContact O-N 3.28Å
402	K	46	Very low	44.6	Very low	173 Å²	173	85.4 Å²	85.4	75%	0.752	49%	0.494	S	S	*	.	H	α-helix	trans	-65.4	-25.9	174.6	-71.9	-175.9	179.3	178.7	0	112.4	S399 S400	S399-K402 PolarHBondContact O-N 3.1Å; S400-K402 PolarHBondContact O-N 3.41Å
403	R	48.9	Very low	42.6	Very low	96 Å²	96	86.9 Å²	86.9	36%	0.362	51%	0.511	S	S	.	.	H	α-helix	trans	-89.9	-41.6	-175.7	-156.9	-179	-66.5	-174.9	2.9	111.9	E376 S400 D401 N405 M406 Y407	E376-R403 VanDerWaalsContact OE1-CD 3.25Å; E376-R403 WeakPolarHBondContact OE1-CD 3.46Å; E376-R403 IonicContact OE1-CZ 3.96Å; E376-R403 IonicContact OE1-NE 2.66Å; E376-R403 IonicContact OE1-NH1 2.74Å; E376-R403 PolarHBondContact OE1-NH1 2.98Å; E376-R403 IonicContact OE2-CZ 3.41Å; E376-R403 IonicContact OE2-NH1 3.43Å; E376-R403 PolarHBondContact OE2-NH1 3.26Å; S400-R403 WeakPolarHBondContact O-CA 3.36Å; S400-R403 WeakPolarHBondContact O-CB 3.29Å; S400-R403 PolarHBondContact O-N 3.47Å; D401-R403 PolarHBondContact O-N 3.28Å; R403-N405 PolarHBondContact O-N 3.45Å; R403-M406 WeakPolarHBondContact O-CB 3.1Å; R403-M406 PolarHBondContact O-N 2.93Å; R403-Y407 HydrophobicContact CG-CE2 4.24Å; R403-Y407 WeakPolarHBondContact O-CD2 3.4Å
404	K	45.4	Very low	40.7	Very low	111 Å²	111	92.9 Å²	92.9	48%	0.483	54%	0.535	S	S	.	.	H	α-helix	trans	-56.6	-37.2	176.4	-73.8	-161.6	169.7	-163.8	0	112.8	D355 S400 M406 Y407 A408	D355-K404 IonicContact OD2-NZ 3.27Å; D355-K404 PolarHBondContact OD2-NZ 2.86Å; S400-K404 PolarHBondContact O-N 2.79Å; S400-K404 VanDerWaalsContact O-N 3.17Å; K404-M406 PolarHBondContact O-N 2.85Å; K404-Y407 PolarHBondContact O-N 2.73Å; K404-A408 PolarHBondContact O-N 3.34Å
405	N	43.9	Very low	39.3	Very low	120 Å²	120	98.5 Å²	98.5	64%	0.642	56%	0.558	S	S	*	*	H	α-helix	trans	-64.1	-19.9	177.4	-69.9	-7.4	0	0	0	114.4	R403	R403-N405 PolarHBondContact O-N 3.45Å
406	M	43.6	Very low	38.4	Very low	115 Å²	115	102.2 Å²	102.2	57%	0.567	58%	0.58	S	S	*	*	H	α-helix	trans	-78.9	-19.7	178	-165.3	167.4	70.4	0	0	113.2	R91 R403 K404	R91-M406 PolarHBondContact NH2-O 2.91Å; R403-M406 WeakPolarHBondContact O-CB 3.1Å; R403-M406 PolarHBondContact O-N 2.93Å; K404-M406 PolarHBondContact O-N 2.85Å
407	Y	46.3	Very low	37.8	Very low	30 Å²	30	105.3 Å²	105.3	12%	0.118	62%	0.615	C	S	.	*	H	α-helix	trans	-96.8	-22.9	178.5	-65.5	-90.1	0	0	0	112.7	R91 E372 R403 K404 G409	R91-Y407 WeakPolarHBondContact CD-O 3.2Å; R91-Y407 HydrophobicContact CG-CD1 4.1Å; R91-Y407 VanDerWaalsContact CG-O 3.28Å; R91-Y407 WeakPolarHBondContact CG-O 3.28Å; E372-Y407 WeakPolarHBondContact OE1-CE1 3.23Å; E372-Y407 VanDerWaalsContact OE1-CZ 3.24Å; E372-Y407 PolarHBondContact OE1-OH 2.8Å; R403-Y407 HydrophobicContact CG-CE2 4.24Å; R403-Y407 WeakPolarHBondContact O-CD2 3.4Å; K404-Y407 PolarHBondContact O-N 2.73Å; Y407-G409 PolarHBondContact O-N 3.44Å
408	A	43.4	Very low	36.8	Very low	82 Å²	82	109.9 Å²	109.9	68%	0.678	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	13.5	-178.3	0	0	0	0	0	115.7	K404 G410	K404-A408 PolarHBondContact O-N 3.34Å; A408-G410 VanDerWaalsContact C-N 3.34Å; A408-G410 PolarHBondContact O-N 2.76Å
409	G	34.9	Very low	35.9	Very low	62 Å²	62	111.3 Å²	111.3	64%	0.639	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	75.8	11.5	171.4	0	0	0	0	0	116.3	Y407	Y407-G409 PolarHBondContact O-N 3.44Å
410	G	30.7	Very low	35.2	Very low	55 Å²	55	114.8 Å²	114.8	57%	0.567	67%	0.668	S	S	*	*			trans	-68.1	143.8	163.7	0	0	0	0	0	111	A408	A408-G410 VanDerWaalsContact C-N 3.34Å; A408-G410 PolarHBondContact O-N 2.76Å
411	E	26	Very low	34.4	Very low	190 Å²	190	120 Å²	120	89%	0.888	69%	0.686	S	S	*	*			trans	-53.9	146.9	166.9	-66.4	-178.6	138.5	0	0	109.9	P413	E411-P413 VanDerWaalsContact O-CD 3.31Å; E411-P413 WeakPolarHBondContact O-CD 3.39Å
412	A	25	Very low	33.6	Very low	92 Å²	92	121.6 Å²	121.6	76%	0.76	69%	0.694	S	S	*	*			trans	-52	115.2	177.9	0	0	0	0	0	109.4	Q414	A412-Q414 PolarHBondContact O-N 2.89Å
413	P	29.1	Very low	32.6	Very low	118 Å²	118	119.5 Å²	119.5	77%	0.766	70%	0.696	S	S	*	*			trans	-68.5	111.1	-172.2	25	-32.4	0	0	0	108.8	E411 M415	E411-P413 VanDerWaalsContact O-CD 3.31Å; E411-P413 WeakPolarHBondContact O-CD 3.39Å; P413-M415 PolarHBondContact O-N 2.99Å
414	Q	27.6	Very low	31.4	Very low	170 Å²	170	118.2 Å²	118.2	79%	0.794	71%	0.713	S	S	*	*			trans	-50.9	134	157	-72.4	-175.9	-23.7	0	0	107.6	A412 N416	A412-Q414 PolarHBondContact O-N 2.89Å; Q414-N416 VanDerWaalsContact C-N 3.33Å; Q414-N416 PolarHBondContact O-N 2.83Å
415	M	27.7	Very low	30.4	Very low	190 Å²	190	122.7 Å²	122.7	94%	0.936	74%	0.735	S	S	*	*	S	Bend	trans	-61.5	90.8	-175.5	-71.5	167.6	69.6	0	0	111.4	P413	P413-M415 PolarHBondContact O-N 2.99Å
416	N	24.8	Very low	29.4	Very low	137 Å²	137	120.8 Å²	120.8	73%	0.733	74%	0.744	S	S	*	*			trans	-139.7	111.3	165	-85.3	-34	0	0	0	107.2	Q414 D418	Q414-N416 VanDerWaalsContact C-N 3.33Å; Q414-N416 PolarHBondContact O-N 2.83Å; N416-D418 PolarHBondContact O-N 3.33Å
417	G	30.1	Very low	28.5	Very low	86 Å²	86	119.3 Å²	119.3	89%	0.887	76%	0.758	S	S	*	*			trans	-88.2	100.3	175.6	0	0	0	0	0	110.3
418	D	26.6	Very low	27.4	Very low	155 Å²	155	122.2 Å²	122.2	83%	0.829	80%	0.797	S	S	*	*			trans	-114.1	113.8	169.6	-85.8	-41.7	0	0	0	110.5	N416	N416-D418 PolarHBondContact O-N 3.33Å
419	T	28.3	Very low	26.4	Very low	118 Å²	118	122.2 Å²	122.2	72%	0.724	81%	0.805	S	S	*	*			trans	-76.9	157.6	164.5	43.3	0	0	0	0	110.9	H421	T419-H421 PolarHBondContact O-N 2.97Å
420	P	26.7	Very low	26	Very low	135 Å²	135	123.6 Å²	123.6	88%	0.877	82%	0.819	S	S	*	*			trans	-61	126.9	-169.6	-23	33.9	0	0	0	113.8	D422	P420-D422 PolarHBondContact O-N 3.07Å
421	H	25.3	Very low	25.7	Very low	171 Å²	171	124.5 Å²	124.5	79%	0.792	83%	0.828	S	S	*	*			trans	-81.8	110.9	177.9	-166.9	-42.5	0	0	0	110.2	T419	T419-H421 PolarHBondContact O-N 2.97Å
422	D	25.9	Very low	25.7	Very low	148 Å²	148	119.7 Å²	119.7	79%	0.791	83%	0.83	S	S	*	*			trans	-78	147.5	166.9	-154.7	-9.8	0	0	0	110.2	P420	P420-D422 PolarHBondContact O-N 3.07Å
423	T	24.3	Very low	25.8	Very low	129 Å²	129	118.5 Å²	118.5	79%	0.791	83%	0.827	S	S	*	*			trans	-98.8	126.2	-157.2	50.9	0	0	0	0	114.8
424	G	23.2	Very low	26	Very low	69 Å²	69	118.9 Å²	118.9	71%	0.711	82%	0.818	S	S	*	*			trans	-171.8	117	169.6	0	0	0	0	0	114.1
425	H	24.1	Very low	26.2	Very low	205 Å²	205	119.6 Å²	119.6	95%	0.949	82%	0.821	S	S	*	*			trans	-39.1	148.8	-178.4	-61.3	-2.6	0	0	0	116.7
426	G	23.6	Very low	27	Very low	80 Å²	80	113.1 Å²	113.1	83%	0.825	79%	0.792	S	S	*	*			cis	155.3	146.6	-0.5	0	0	0	0	0	111
427	G	24.5	Very low	28.4	Very low	84 Å²	84	108.6 Å²	108.6	87%	0.866	78%	0.778	S	S	*	*			trans	149.5	93.2	175.5	0	0	0	0	0	116
428	G	23.6	Very low	29.6	Very low	91 Å²	91	112.1 Å²	112.1	94%	0.938	77%	0.772	S	S	*	*			trans	-39	150.3	-175.7	0	0	0	0	0	121.3
429	G	23.6	Very low	31.1	Very low	81 Å²	81	107.4 Å²	107.4	84%	0.835	75%	0.745	S	S	*	*			trans	162.2	102.6	165.9	0	0	0	0	0	110.9
430	G	24.9	Very low	32.9	Very low	91 Å²	91	103.3 Å²	103.3	94%	0.938	72%	0.718	S	S	*	*			trans	-76.4	146.5	-172.6	0	0	0	0	0	114.5
431	G	24.4	Very low	34.8	Very low	74 Å²	74	102.5 Å²	102.5	76%	0.763	70%	0.702	S	S	*	*			trans	159.4	109.6	174	0	0	0	0	0	110.3	G433	G431-G433 PolarHBondContact O-N 3.17Å; G431-G433 VanDerWaalsContact O-N 3.13Å
432	G	27.1	Very low	37	Very low	89 Å²	89	96.8 Å²	96.8	92%	0.918	68%	0.681	S	S	*	*			trans	-66.9	110.4	176.9	0	0	0	0	0	110.3
433	G	26.6	Very low	39.1	Very low	68 Å²	68	91.9 Å²	91.9	70%	0.701	66%	0.657	S	S	*	*			trans	-158	128.3	179.5	0	0	0	0	0	110.8	G431	G431-G433 PolarHBondContact O-N 3.17Å; G431-G433 VanDerWaalsContact O-N 3.13Å
434	H	33.1	Very low	41.6	Very low	125 Å²	125	94.8 Å²	94.8	58%	0.579	66%	0.658	S	S	*	*			trans	20.6	118.3	161.6	-90.9	83.6	0	0	0	118.3	V436 D1012	H434-V436 HydrophobicContact CB-CG2 4.05Å; H434-V436 PolarHBondContact O-N 2.68Å; H434-D1012 IonicContact CE1-OD1 3.08Å; H434-D1012 PolarHBondContact CE1-OD1 3.34Å; H434-D1012 IonicContact CE1-OD2 3.56Å
435	Q	31.3	Very low	44.2	Very low	185 Å²	185	98.8 Å²	98.8	86%	0.864	66%	0.656	S	S	*	*			trans	-65.6	83	151.1	-69.8	-174.7	9.1	0	0	109	G437	Q435-G437 PolarHBondContact O-N 3.24Å
436	V	45.9	Very low	46.9	Very low	54 Å²	54	97.3 Å²	97.3	33%	0.327	65%	0.647	S	S	.	*			trans	-62.3	124.2	169.6	179.6	0	0	0	0	107.3	H434 E438 L440	H434-V436 HydrophobicContact CB-CG2 4.05Å; H434-V436 PolarHBondContact O-N 2.68Å; V436-E438 PolarHBondContact O-N 2.82Å; V436-L440 HydrophobicContact CG1-CB 4.13Å
437	G	53.4	Low	49.7	Very low	42 Å²	42	95 Å²	95	43%	0.433	62%	0.618	S	S	.	*			trans	-54	138.5	178.7	0	0	0	0	0	110.9	Q435 E439 L440	Q435-G437 PolarHBondContact O-N 3.24Å; G437-E439 PolarHBondContact O-N 2.96Å; G437-L440 PolarHBondContact O-N 2.8Å
438	E	55.7	Low	52.4	Low	161 Å²	161	91.3 Å²	91.3	75%	0.752	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-53.9	-19.7	-178.3	-160	179.8	178.7	0	0	112.8	V436 L440	V436-E438 PolarHBondContact O-N 2.82Å; E438-L440 VanDerWaalsContact C-N 3.34Å; E438-L440 PolarHBondContact O-N 3.05Å
439	E	58	Low	55.2	Low	56 Å²	56	87.2 Å²	87.2	26%	0.262	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-67.2	-22.1	177.4	-39	-162.1	130.8	0	0	115.4	G437 R456 G824 A825	G437-E439 PolarHBondContact O-N 2.96Å; E439-R456 VanDerWaalsContact OE1-CD 3.25Å; E439-R456 WeakPolarHBondContact OE1-CD 3.38Å; E439-R456 IonicContact OE1-CZ 3.54Å; E439-R456 IonicContact OE1-NE 2.75Å; E439-R456 PolarHBondContact OE1-NE 3.43Å; E439-R456 IonicContact OE1-NH1 3.47Å; E439-G824 VanDerWaalsContact OE1-C 3.31Å; E439-G824 VanDerWaalsContact OE1-CA 3.29Å; E439-G824 WeakPolarHBondContact OE1-CA 3.36Å; E439-A825 VanDerWaalsContact CD-N 3.32Å; E439-A825 PolarHBondContact OE1-N 2.8Å; E439-A825 VanDerWaalsContact OE1-N 3.12Å; E439-A825 VanDerWaalsContact OE2-CB 3.3Å; E439-A825 WeakPolarHBondContact OE2-CB 3.35Å; E439-A825 PolarHBondContact OE2-N 3.49Å
440	L	65.9	Low	58.2	Low	31 Å²	31	84.6 Å²	84.6	16%	0.162	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-110.8	-0.1	-175.4	-77.8	163.1	0	0	0	113.7	V436 G437 E438 F583 V585 Y827	V436-L440 HydrophobicContact CG1-CB 4.13Å; G437-L440 PolarHBondContact O-N 2.8Å; E438-L440 VanDerWaalsContact C-N 3.34Å; E438-L440 PolarHBondContact O-N 3.05Å; L440-F583 WeakPolarHBondContact O-CD2 3.32Å; L440-V585 HydrophobicContact CD2-CB 4.32Å; L440-Y827 HydrophobicContact CD1-CE2 4.34Å; L440-Y827 HydrophobicContact CD2-CD2 3.83Å; L440-Y827 HydrophobicContact CD2-CE2 3.88Å; L440-Y827 HydrophobicContact CD2-CG 4.39Å; L440-Y827 HydrophobicContact CG-CD2 4.35Å; L440-Y827 HydrophobicContact CG-CE2 4.04Å
441	Q	65.5	Low	61.2	Low	118 Å²	118	85.6 Å²	85.6	55%	0.551	49%	0.487	S	S	*	.	S	Bend	trans	-73.4	134.8	-177.2	-62.1	-173.2	12.9	0	0	111.7	T443	Q441-T443 PolarHBondContact O-N 3.11Å; Q441-T443 VanDerWaalsContact O-N 3.09Å
442	C	72.2	Confident	64.2	Low	52 Å²	52	85.8 Å²	85.8	35%	0.351	47%	0.47	S	S	.	.			trans	-67.1	109.1	178.8	-178.7	0	0	0	0	111.3	K444 F583	C442-K444 VanDerWaalsContact C-N 3.26Å; C442-K444 PolarHBondContact O-N 2.88Å; C442-F583 HydrophobicContact CB-CB 4.21Å; C442-F583 HydrophobicContact CB-CD2 3.97Å; C442-F583 HydrophobicContact CB-CE2 4.41Å; C442-F583 HydrophobicContact CB-CG 4.01Å
443	T	70.3	Confident	67.1	Low	44 Å²	44	81.6 Å²	81.6	27%	0.27	43%	0.427	S	S	.	.			trans	-68.6	-18.4	-177.5	6.8	0	0	0	0	114.7	Q441 K445 G449 L452 D580	Q441-T443 PolarHBondContact O-N 3.11Å; Q441-T443 VanDerWaalsContact O-N 3.09Å; T443-K445 PolarHBondContact O-N 2.87Å; T443-G449 PolarHBondContact OG1-N 3.23Å; T443-L452 HydrophobicContact CG2-CD1 3.56Å; T443-D580 WeakPolarHBondContact CB-OD2 3.08Å; T443-D580 PolarHBondContact N-OD2 3.3Å; T443-D580 PolarHBondContact OG1-OD2 3.15Å
444	K	75.9	Confident	70.1	Confident	191 Å²	191	81.2 Å²	81.2	83%	0.83	41%	0.411	S	S	*	.			trans	53.7	21.1	-176.5	-59.3	-178.8	-178.3	176.4	0	114.5	C442	C442-K444 VanDerWaalsContact C-N 3.26Å; C442-K444 PolarHBondContact O-N 2.88Å
445	K	78.6	Confident	72.8	Confident	153 Å²	153	82.9 Å²	82.9	67%	0.665	42%	0.416	S	S	*	.	S	Bend	trans	-118.5	141.5	177.4	-69.9	176.2	-176.5	175.8	0	108.1	T443 C447 G448	T443-K445 PolarHBondContact O-N 2.87Å; K445-C447 PolarHBondContact O-N 3.38Å; K445-G448 PolarHBondContact O-N 3.29Å
446	F	80.8	Confident	75.4	Confident	174 Å²	174	77.1 Å²	77.1	76%	0.763	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	123.4	177.2	-172.8	-98.2	0	0	0	110.5	G448 A578	F446-G448 PolarHBondContact O-N 3.34Å; F446-A578 HydrophobicContact CD2-CB 4.35Å; F446-A578 HydrophobicContact CE2-CB 3.76Å; F446-A578 HydrophobicContact CZ-CB 3.97Å
447	C	81.6	Confident	77.4	Confident	30 Å²	30	75.2 Å²	75.2	20%	0.203	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	25.8	-171.9	-60.1	0	0	0	0	115.1	K445 I451 A578	K445-C447 PolarHBondContact O-N 3.38Å; C447-I451 WeakPolarHBondContact O-CG1 3.43Å; C447-I451 PolarHBondContact O-N 3.41Å; C447-A578 PolarHBondContact N-O 3.4Å
448	G	81.6	Confident	79	Confident	8 Å²	8	79.1 Å²	79.1	8%	0.082	38%	0.384	C	S	.	.	H	α-helix	trans	-60.5	-49.3	-177.2	0	0	0	0	0	113.1	K445 F446 I451 L452	K445-G448 PolarHBondContact O-N 3.29Å; F446-G448 PolarHBondContact O-N 3.34Å; G448-I451 PolarHBondContact O-N 2.73Å; G448-L452 WeakPolarHBondContact O-CG 3.21Å; G448-L452 PolarHBondContact O-N 2.83Å
449	G	83.8	Confident	80.5	Confident	4 Å²	4	75.9 Å²	75.9	4%	0.041	38%	0.377	C	S	.	.	H	α-helix	trans	-63.3	-43	-179.8	0	0	0	0	0	112.6	T443 I451 L452 D453 D580	T443-G449 PolarHBondContact OG1-N 3.23Å; G449-I451 PolarHBondContact O-N 2.86Å; G449-L452 PolarHBondContact O-N 3.13Å; G449-D453 PolarHBondContact O-N 2.85Å; G449-D580 PolarHBondContact N-OD1 3.32Å
450	L	86.5	Confident	81.9	Confident	26 Å²	26	77 Å²	77	14%	0.136	38%	0.382	C	S	.	.	H	α-helix	trans	-60.8	-42.6	178.7	-176.9	64.3	0	0	0	112.5	L452 D453 V454 V577 H828 L829 F832	L450-L452 VanDerWaalsContact C-N 3.35Å; L450-D453 PolarHBondContact O-N 3.32Å; L450-V454 WeakPolarHBondContact O-CG2 3.42Å; L450-V454 PolarHBondContact O-N 2.81Å; L450-V577 HydrophobicContact CB-CG1 4.26Å; L450-V577 HydrophobicContact CD1-CG1 4.49Å; L450-V577 HydrophobicContact CD2-CG1 4.07Å; L450-H828 HydrophobicContact CB-CB 4.23Å; L450-H828 HydrophobicContact CD1-CB 4.35Å; L450-L829 HydrophobicContact CD1-CB 4.14Å; L450-L829 HydrophobicContact CD1-CD1 3.96Å; L450-F832 HydrophobicContact CD1-CB 4.02Å; L450-F832 HydrophobicContact CD1-CG 4.33Å; L450-F832 HydrophobicContact CD2-CD2 4.06Å; L450-F832 HydrophobicContact CD2-CG 4.27Å
451	I	87.8	Confident	83	Confident	112 Å²	112	79.1 Å²	79.1	57%	0.574	39%	0.389	S	S	*	.	H	α-helix	trans	-67.3	-37.6	179	-66.4	167.1	0	0	0	111	C447 G448 G449 K455	C447-I451 WeakPolarHBondContact O-CG1 3.43Å; C447-I451 PolarHBondContact O-N 3.41Å; G448-I451 PolarHBondContact O-N 2.73Å; G449-I451 PolarHBondContact O-N 2.86Å; I451-K455 VanDerWaalsContact O-CB 3.29Å; I451-K455 WeakPolarHBondContact O-CB 3.26Å; I451-K455 PolarHBondContact O-N 3.22Å
452	L	86.3	Confident	84	Confident	78 Å²	78	76.3 Å²	76.3	41%	0.408	39%	0.386	S	S	.	.	H	α-helix	trans	-67.9	-44.1	176	-69.9	177.1	0	0	0	112.2	T443 G448 G449 L450 V454 K455 R456	T443-L452 HydrophobicContact CG2-CD1 3.56Å; G448-L452 WeakPolarHBondContact O-CG 3.21Å; G448-L452 PolarHBondContact O-N 2.83Å; G449-L452 PolarHBondContact O-N 3.13Å; L450-L452 VanDerWaalsContact C-N 3.35Å; L452-V454 PolarHBondContact O-N 3.48Å; L452-K455 PolarHBondContact O-N 2.82Å; L452-R456 WeakPolarHBondContact O-CB 3.24Å; L452-R456 PolarHBondContact O-N 2.91Å
453	D	88.4	Confident	84.8	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.005	38%	0.382	C	S	.	.	H	α-helix	trans	-61.1	-45	177.6	-74.8	-9.7	0	0	0	111.3	G449 L450 R456 K457 G826 Y827 H828 L829	G449-D453 PolarHBondContact O-N 2.85Å; L450-D453 PolarHBondContact O-N 3.32Å; D453-R456 PolarHBondContact O-N 2.84Å; D453-R456 IonicContact OD1-NH1 3.28Å; D453-R456 PolarHBondContact OD1-NH1 3.45Å; D453-K457 PolarHBondContact O-N 3.13Å; D453-G826 VanDerWaalsContact OD2-C 3.28Å; D453-G826 WeakPolarHBondContact OD2-CA 3.35Å; D453-Y827 PolarHBondContact OD2-N 3.19Å; D453-H828 WeakPolarHBondContact OD2-CB 3.36Å; D453-H828 IonicContact OD2-CG 3.02Å; D453-H828 PolarHBondContact OD2-N 3.07Å; D453-H828 IonicContact OD2-ND1 3.95Å; D453-H828 PolarHBondContact OD2-ND1 2.75Å; D453-H828 VanDerWaalsContact OD2-ND1 3.08Å; D453-L829 HydrophobicContact CB-CB 4.23Å
454	V	89.2	Confident	85.7	Confident	60 Å²	60	73.9 Å²	73.9	36%	0.364	37%	0.371	S	S	.	.	H	α-helix	trans	-60.9	-47.3	173.8	171.2	0	0	0	0	111	L450 L452 R456 K457 L458 L829	L450-V454 WeakPolarHBondContact O-CG2 3.42Å; L450-V454 PolarHBondContact O-N 2.81Å; L452-V454 PolarHBondContact O-N 3.48Å; V454-R456 VanDerWaalsContact C-N 3.29Å; V454-R456 PolarHBondContact O-N 2.78Å; V454-K457 PolarHBondContact O-N 3.43Å; V454-L458 WeakPolarHBondContact O-CB 3.19Å; V454-L458 PolarHBondContact O-N 3.42Å; V454-L829 HydrophobicContact CG2-CD1 3.87Å; V454-L829 HydrophobicContact CG2-CD2 4.12Å
455	K	89.6	Confident	86.3	Confident	160 Å²	160	68.6 Å²	68.6	70%	0.696	35%	0.348	S	S	*	.	H	α-helix	trans	-62	-35	-179.9	-173.2	-179.5	177.2	-172.9	0	112.5	I451 L452 P459	I451-K455 VanDerWaalsContact O-CB 3.29Å; I451-K455 WeakPolarHBondContact O-CB 3.26Å; I451-K455 PolarHBondContact O-N 3.22Å; L452-K455 PolarHBondContact O-N 2.82Å; K455-P459 WeakPolarHBondContact O-CD 3.38Å
456	R	86.6	Confident	86.7	Confident	65 Å²	65	69.9 Å²	69.9	25%	0.245	35%	0.35	C	S	.	.	H	α-helix	trans	-70.9	-41.2	176.7	-170.2	-174.8	-63.4	118.9	5.2	112.2	E439 L452 D453 V454 F460 A825	E439-R456 VanDerWaalsContact OE1-CD 3.25Å; E439-R456 WeakPolarHBondContact OE1-CD 3.38Å; E439-R456 IonicContact OE1-CZ 3.54Å; E439-R456 IonicContact OE1-NE 2.75Å; E439-R456 PolarHBondContact OE1-NE 3.43Å; E439-R456 IonicContact OE1-NH1 3.47Å; L452-R456 WeakPolarHBondContact O-CB 3.24Å; L452-R456 PolarHBondContact O-N 2.91Å; D453-R456 PolarHBondContact O-N 2.84Å; D453-R456 IonicContact OD1-NH1 3.28Å; D453-R456 PolarHBondContact OD1-NH1 3.45Å; V454-R456 VanDerWaalsContact C-N 3.29Å; V454-R456 PolarHBondContact O-N 2.78Å; R456-F460 WeakPolarHBondContact O-CD2 3.33Å; R456-A825 PolarHBondContact NH1-O 3.42Å
457	K	87.5	Confident	86.8	Confident	14 Å²	14	65 Å²	65	6%	0.061	33%	0.332	C	S	.	.	H	α-helix	trans	-84.4	-32.7	-174.5	-71.4	-72.6	-173.8	176.5	0	114.6	D453 V454 P459 F460 F461 G524 K823 G824	D453-K457 PolarHBondContact O-N 3.13Å; V454-K457 PolarHBondContact O-N 3.43Å; K457-P459 VanDerWaalsContact C-CD 3.46Å; K457-F460 PolarHBondContact O-N 2.86Å; K457-F461 PolarHBondContact O-N 3.01Å; K457-G524 WeakPolarHBondContact CD-O 3.37Å; K457-G524 WeakPolarHBondContact CE-O 3.35Å; K457-G524 PolarHBondContact NZ-O 3.1Å; K457-K823 PolarHBondContact NZ-O 3.42Å; K457-G824 WeakPolarHBondContact CE-O 3.23Å; K457-G824 PolarHBondContact NZ-O 3.23Å
458	L	86.9	Confident	87	Confident	124 Å²	124	63.9 Å²	63.9	65%	0.649	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-49.1	-45.5	-176.4	-167	69.3	0	0	0	115.3	V454 F460 F461	V454-L458 WeakPolarHBondContact O-CB 3.19Å; V454-L458 PolarHBondContact O-N 3.42Å; L458-F460 VanDerWaalsContact C-N 3.28Å; L458-F460 PolarHBondContact O-N 2.85Å; L458-F461 WeakPolarHBondContact O-CB 3.3Å; L458-F461 PolarHBondContact O-N 3.26Å
459	P	88.3	Confident	87	Confident	92 Å²	92	70.8 Å²	70.8	60%	0.597	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-67.4	-25.2	-179.3	26.6	-35.9	0	0	0	114.1	K455 K457	K455-P459 WeakPolarHBondContact O-CD 3.38Å; K457-P459 VanDerWaalsContact C-CD 3.46Å
460	F	87.6	Confident	86.8	Confident	81 Å²	81	73.7 Å²	73.7	36%	0.355	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-85.3	-9.6	179.4	-60.7	-71.5	0	0	0	113.2	R456 K457 L458 A462 S463 D464 K823	R456-F460 WeakPolarHBondContact O-CD2 3.33Å; K457-F460 PolarHBondContact O-N 2.86Å; L458-F460 VanDerWaalsContact C-N 3.28Å; L458-F460 PolarHBondContact O-N 2.85Å; F460-A462 VanDerWaalsContact C-N 3.27Å; F460-A462 PolarHBondContact O-N 3.43Å; F460-S463 PolarHBondContact O-N 2.93Å; F460-S463 PolarHBondContact O-OG 3.42Å; F460-D464 PolarHBondContact O-N 3.29Å; F460-D464 VanDerWaalsContact O-N 3.08Å; F460-K823 HydrophobicContact CB-CD 4.07Å; F460-K823 HydrophobicContact CB-CG 4.22Å; F460-K823 HydrophobicContact CD1-CD 4.38Å; F460-K823 HydrophobicContact CD1-CG 3.94Å; F460-K823 HydrophobicContact CD2-CG 4.41Å; F460-K823 HydrophobicContact CE1-CG 4.42Å; F460-K823 HydrophobicContact CG-CD 4.3Å; F460-K823 HydrophobicContact CG-CG 3.93Å
461	F	87.1	Confident	86.3	Confident	75 Å²	75	79.3 Å²	79.3	33%	0.329	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.6	-174.6	-168.4	-92.1	0	0	0	113.1	K457 L458 F465 L521	K457-F461 PolarHBondContact O-N 3.01Å; L458-F461 WeakPolarHBondContact O-CB 3.3Å; L458-F461 PolarHBondContact O-N 3.26Å; F461-F465 HydrophobicContact CD1-CE2 4.16Å; F461-F465 AromaticContact CE1-CE2 3.71Å; F461-F465 HydrophobicContact CE1-CE2 3.71Å; F461-F465 HydrophobicContact CE1-CZ 4.45Å; F461-F465 HydrophobicContact CZ-CE2 4.03Å; F461-F465 HydrophobicContact CZ-CZ 4.47Å; F461-F465 VanDerWaalsContact O-CD2 3.25Å; F461-F465 WeakPolarHBondContact O-CD2 3.42Å; F461-L521 WeakPolarHBondContact CE2-O 3.5Å; F461-L521 HydrophobicContact CZ-CD2 4.11Å
462	A	87.1	Confident	85.9	Confident	59 Å²	59	75.5 Å²	75.5	49%	0.488	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-40.3	176.2	0	0	0	0	0	112.5	F460 D464 F465 Y466	F460-A462 VanDerWaalsContact C-N 3.27Å; F460-A462 PolarHBondContact O-N 3.43Å; A462-D464 VanDerWaalsContact C-N 3.28Å; A462-D464 PolarHBondContact O-N 2.74Å; A462-F465 PolarHBondContact O-N 2.97Å; A462-Y466 WeakPolarHBondContact O-CD2 3.2Å
463	S	88.7	Confident	85.7	Confident	38 Å²	38	72.4 Å²	72.4	27%	0.266	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-31.5	-179.6	62.8	0	0	0	0	112.5	F460 F465 Y466 D467	F460-S463 PolarHBondContact O-N 2.93Å; F460-S463 PolarHBondContact O-OG 3.42Å; S463-F465 PolarHBondContact O-N 3.5Å; S463-F465 VanDerWaalsContact O-N 3.07Å; S463-Y466 PolarHBondContact O-N 3.03Å; S463-Y466 VanDerWaalsContact O-N 3.11Å; S463-D467 WeakPolarHBondContact O-CB 3.28Å; S463-D467 PolarHBondContact O-N 2.99Å
464	D	89.4	Confident	85.4	Confident	6 Å²	6	77.3 Å²	77.3	3%	0.032	39%	0.39	C	S	.	.	H	α-helix	trans	-58.4	-19.2	175.2	-67.2	-14.1	0	0	0	114.7	F460 A462 K823 R885	F460-D464 PolarHBondContact O-N 3.29Å; F460-D464 VanDerWaalsContact O-N 3.08Å; A462-D464 VanDerWaalsContact C-N 3.28Å; A462-D464 PolarHBondContact O-N 2.74Å; D464-K823 VanDerWaalsContact OD1-CD 3.29Å; D464-K823 WeakPolarHBondContact OD1-CD 3.17Å; D464-K823 WeakPolarHBondContact OD1-CE 3.38Å; D464-K823 IonicContact OD1-NZ 2.78Å; D464-K823 PolarHBondContact OD1-NZ 3.43Å; D464-R885 HydrophobicContact CB-CB 4.32Å; D464-R885 HydrophobicContact CB-CG 3.88Å; D464-R885 PolarHBondContact O-N 2.88Å; D464-R885 IonicContact OD2-CZ 2.73Å; D464-R885 IonicContact OD2-NE 3.44Å; D464-R885 PolarHBondContact OD2-NE 3.23Å; D464-R885 IonicContact OD2-NH2 3.59Å; D464-R885 PolarHBondContact OD2-NH2 2.79Å
465	F	89	Confident	84.7	Confident	81 Å²	81	76.3 Å²	76.3	36%	0.355	39%	0.386	S	S	.	.	H	α-helix	trans	-93.6	-36.4	174	-70.6	-87.9	0	0	0	112.8	F461 A462 S463 R885 V886 I889	F461-F465 HydrophobicContact CD1-CE2 4.16Å; F461-F465 AromaticContact CE1-CE2 3.71Å; F461-F465 HydrophobicContact CE1-CE2 3.71Å; F461-F465 HydrophobicContact CE1-CZ 4.45Å; F461-F465 HydrophobicContact CZ-CE2 4.03Å; F461-F465 HydrophobicContact CZ-CZ 4.47Å; F461-F465 VanDerWaalsContact O-CD2 3.25Å; F461-F465 WeakPolarHBondContact O-CD2 3.42Å; A462-F465 PolarHBondContact O-N 2.97Å; S463-F465 PolarHBondContact O-N 3.5Å; S463-F465 VanDerWaalsContact O-N 3.07Å; F465-R885 HydrophobicContact CZ-CB 4.46Å; F465-V886 HydrophobicContact CB-CG2 4.47Å; F465-V886 HydrophobicContact CD1-CG2 3.51Å; F465-V886 HydrophobicContact CE1-CG2 4.05Å; F465-V886 HydrophobicContact CG-CG2 4.24Å; F465-I889 HydrophobicContact CE1-CD1 4.41Å; F465-I889 HydrophobicContact CZ-CD1 4.42Å
466	Y	86.9	Confident	84.4	Confident	180 Å²	180	68.8 Å²	68.8	71%	0.706	35%	0.354	S	S	*	.	H	α-helix	trans	-71.1	-40.6	176	-67.6	-72.1	0	0	0	112.1	A462 S463 A468 L469	A462-Y466 WeakPolarHBondContact O-CD2 3.2Å; S463-Y466 PolarHBondContact O-N 3.03Å; S463-Y466 VanDerWaalsContact O-N 3.11Å; Y466-A468 PolarHBondContact O-N 2.99Å; Y466-L469 PolarHBondContact O-N 3.37Å
467	D	83.8	Confident	84.4	Confident	72 Å²	72	66.4 Å²	66.4	39%	0.385	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.3	177.6	-75.3	-30.3	0	0	0	113.1	S463 K823	S463-D467 WeakPolarHBondContact O-CB 3.28Å; S463-D467 PolarHBondContact O-N 2.99Å; D467-K823 IonicContact OD2-NZ 2.78Å; D467-K823 PolarHBondContact OD2-NZ 3.35Å
468	A	84.3	Confident	84	Confident	5 Å²	5	68.9 Å²	68.9	4%	0.041	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-14.3	-176.5	0	0	0	0	0	115.4	Y466 H470 S473 Q884 V886	Y466-A468 PolarHBondContact O-N 2.99Å; A468-H470 PolarHBondContact O-N 3.2Å; A468-S473 WeakPolarHBondContact O-CB 3.27Å; A468-S473 PolarHBondContact O-OG 3.05Å; A468-Q884 VanDerWaalsContact CA-OE1 3.3Å; A468-Q884 HydrophobicContact CB-CB 4.23Å; A468-V886 HydrophobicContact CB-CB 3.56Å; A468-V886 HydrophobicContact CB-CG1 4.12Å; A468-V886 HydrophobicContact CB-CG2 3.5Å
469	L	82.3	Confident	83.5	Confident	154 Å²	154	64.7 Å²	64.7	81%	0.806	34%	0.336	S	S	*	.			trans	-80.3	59.2	-176.1	-63.8	176.7	0	0	0	112.2	Y466	Y466-L469 PolarHBondContact O-N 3.37Å
470	H	78.6	Confident	83.4	Confident	65 Å²	65	60.5 Å²	60.5	30%	0.301	31%	0.308	S	S	.	.	S	Bend	trans	-142	141.5	-179.3	-176.2	-100.8	0	0	0	111.5	A468 Q472 S473 R882	A468-H470 PolarHBondContact O-N 3.2Å; H470-Q472 VanDerWaalsContact ND1-CB 3.34Å; H470-Q472 WeakPolarHBondContact ND1-CB 3.23Å; H470-Q472 PolarHBondContact ND1-N 2.9Å; H470-Q472 PolarHBondContact O-N 3.33Å; H470-S473 WeakPolarHBondContact O-CB 3.44Å; H470-S473 PolarHBondContact O-N 3.17Å; H470-S473 PolarHBondContact O-OG 2.87Å; H470-R882 VanDerWaalsContact CB-NH1 3.25Å; H470-R882 PolarHBondContact CE1-NH2 3.01Å; H470-R882 VanDerWaalsContact CE1-NH2 3.31Å; H470-R882 PolarHBondContact ND1-NH2 3.4Å; H470-R882 PolarHBondContact NE2-NH2 2.96Å
471	I	77.8	Confident	83.3	Confident	143 Å²	143	58.7 Å²	58.7	73%	0.733	30%	0.3	S	S	*	.	H	α-helix	trans	-59.1	-22.5	-171	-158.9	155.1	0	0	0	115	S473	I471-S473 VanDerWaalsContact C-N 3.34Å
472	Q	78.1	Confident	82.8	Confident	33 Å²	33	56.8 Å²	56.8	15%	0.154	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-33.3	171.6	-174.4	173.8	-0	0	0	113.2	H470 S475 A476 S862 K864	H470-Q472 VanDerWaalsContact ND1-CB 3.34Å; H470-Q472 WeakPolarHBondContact ND1-CB 3.23Å; H470-Q472 PolarHBondContact ND1-N 2.9Å; H470-Q472 PolarHBondContact O-N 3.33Å; Q472-S475 PolarHBondContact O-N 3.47Å; Q472-A476 PolarHBondContact O-N 3.27Å; Q472-S862 PolarHBondContact NE2-O 2.69Å; Q472-K864 PolarHBondContact NE2-O 3.49Å
473	S	82.4	Confident	82.3	Confident	13 Å²	13	55.1 Å²	55.1	9%	0.091	28%	0.281	C	S	.	.	H	α-helix	trans	-67.5	-36.4	-179.3	72.1	0	0	0	0	111.5	A468 H470 I471 A476 I477	A468-S473 WeakPolarHBondContact O-CB 3.27Å; A468-S473 PolarHBondContact O-OG 3.05Å; H470-S473 WeakPolarHBondContact O-CB 3.44Å; H470-S473 PolarHBondContact O-N 3.17Å; H470-S473 PolarHBondContact O-OG 2.87Å; I471-S473 VanDerWaalsContact C-N 3.34Å; S473-A476 PolarHBondContact O-N 3.19Å; S473-I477 VanDerWaalsContact O-CG1 3.3Å; S473-I477 WeakPolarHBondContact O-CG1 3.45Å; S473-I477 PolarHBondContact O-N 3.35Å
474	L	81.6	Confident	82.1	Confident	103 Å²	103	53.3 Å²	53.3	54%	0.539	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-43.5	173.9	-177	64.8	0	0	0	111.9	A476 I477 L478	L474-A476 VanDerWaalsContact C-N 3.34Å; L474-A476 PolarHBondContact O-N 3.43Å; L474-I477 PolarHBondContact O-N 3.19Å; L474-L478 WeakPolarHBondContact O-CG 3.36Å; L474-L478 PolarHBondContact O-N 3Å; L474-L478 VanDerWaalsContact O-N 3.15Å
475	S	76.2	Confident	81.8	Confident	40 Å²	40	53.8 Å²	53.8	28%	0.28	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-40.1	175.6	-162.7	0	0	0	0	111.8	Q472 F479	Q472-S475 PolarHBondContact O-N 3.47Å; S475-F479 WeakPolarHBondContact O-CB 3.43Å; S475-F479 PolarHBondContact O-N 3.38Å
476	A	82.3	Confident	81.2	Confident	2 Å²	2	50.3 Å²	50.3	2%	0.017	26%	0.257	C	S	.	.	H	α-helix	trans	-67.3	-41.9	176.2	0	0	0	0	0	112.5	Q472 S473 L474 L478 F479 I480 S862 L863	Q472-A476 PolarHBondContact O-N 3.27Å; S473-A476 PolarHBondContact O-N 3.19Å; L474-A476 VanDerWaalsContact C-N 3.34Å; L474-A476 PolarHBondContact O-N 3.43Å; A476-L478 PolarHBondContact O-N 3.32Å; A476-F479 PolarHBondContact O-N 2.79Å; A476-I480 WeakPolarHBondContact O-CB 3.28Å; A476-I480 WeakPolarHBondContact O-CG1 3.31Å; A476-I480 PolarHBondContact O-N 3.34Å; A476-S862 VanDerWaalsContact CB-OG 3.3Å; A476-S862 WeakPolarHBondContact CB-OG 3.27Å; A476-L863 HydrophobicContact CB-CD2 3.51Å; A476-L863 HydrophobicContact CB-CG 4.27Å
477	I	86.9	Confident	80.9	Confident	15 Å²	15	42.3 Å²	42.3	8%	0.077	23%	0.226	C	C	.	.	H	α-helix	trans	-55.2	-52.4	174.9	-74.1	160.5	0	0	0	109.9	S473 L474 Y481 T887 F890 V891 L894	S473-I477 VanDerWaalsContact O-CG1 3.3Å; S473-I477 WeakPolarHBondContact O-CG1 3.45Å; S473-I477 PolarHBondContact O-N 3.35Å; L474-I477 PolarHBondContact O-N 3.19Å; I477-Y481 WeakPolarHBondContact O-CB 3.37Å; I477-Y481 PolarHBondContact O-N 2.89Å; I477-T887 HydrophobicContact CD1-CG2 4.09Å; I477-T887 HydrophobicContact CG1-CG2 3.73Å; I477-F890 HydrophobicContact CD1-CB 3.94Å; I477-F890 HydrophobicContact CD1-CG 4.35Å; I477-F890 HydrophobicContact CG1-CB 4.14Å; I477-F890 HydrophobicContact CG2-CB 4.05Å; I477-V891 WeakPolarHBondContact O-CG2 3.35Å; I477-L894 HydrophobicContact CG2-CD1 3.68Å
478	L	78	Confident	80.9	Confident	65 Å²	65	39.1 Å²	39.1	34%	0.34	21%	0.21	S	C	.	.	H	α-helix	trans	-63.3	-45.9	-179	-66.9	173.3	0	0	0	111.5	L474 A476 L482 F738	L474-L478 WeakPolarHBondContact O-CG 3.36Å; L474-L478 PolarHBondContact O-N 3Å; L474-L478 VanDerWaalsContact O-N 3.15Å; A476-L478 PolarHBondContact O-N 3.32Å; L478-L482 WeakPolarHBondContact O-CB 3.35Å; L478-L482 WeakPolarHBondContact O-CD1 3.32Å; L478-L482 WeakPolarHBondContact O-CG 3.33Å; L478-L482 PolarHBondContact O-N 2.76Å; L478-F738 HydrophobicContact CB-CE1 3.94Å; L478-F738 HydrophobicContact CB-CZ 4.13Å; L478-F738 HydrophobicContact CD1-CE1 4.41Å; L478-F738 HydrophobicContact CD1-CZ 4Å
479	F	77.9	Confident	80.7	Confident	37 Å²	37	39.2 Å²	39.2	16%	0.162	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-47.8	179.5	174.3	-125.3	0	0	0	112.9	S475 A476 L482 G483 D737 A858	S475-F479 WeakPolarHBondContact O-CB 3.43Å; S475-F479 PolarHBondContact O-N 3.38Å; A476-F479 PolarHBondContact O-N 2.79Å; F479-L482 PolarHBondContact O-N 3.44Å; F479-G483 PolarHBondContact O-N 3.39Å; F479-D737 WeakPolarHBondContact CD2-O 3.44Å; F479-D737 WeakPolarHBondContact CE2-O 3.32Å; F479-A858 HydrophobicContact CE1-CB 4.09Å; F479-A858 HydrophobicContact CZ-CB 4.4Å
480	I	85.7	Confident	80.4	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-77.3	-34.6	-175.9	-58	-58.2	0	0	0	111.9	A476 L482 G483 T484 I529 I855 A858 H859 V891	A476-I480 WeakPolarHBondContact O-CB 3.28Å; A476-I480 WeakPolarHBondContact O-CG1 3.31Å; A476-I480 PolarHBondContact O-N 3.34Å; I480-L482 PolarHBondContact O-N 2.82Å; I480-G483 PolarHBondContact O-N 2.95Å; I480-T484 WeakPolarHBondContact O-CB 3.09Å; I480-T484 PolarHBondContact O-N 2.82Å; I480-T484 PolarHBondContact O-OG1 2.99Å; I480-T484 VanDerWaalsContact O-OG1 3.08Å; I480-I529 HydrophobicContact CG2-CD1 4.37Å; I480-I529 HydrophobicContact CG2-CG1 4.2Å; I480-I855 HydrophobicContact CG2-CG2 4.15Å; I480-A858 HydrophobicContact CD1-CB 4.18Å; I480-H859 HydrophobicContact CD1-CB 3.91Å; I480-H859 HydrophobicContact CG1-CB 3.99Å; I480-V891 HydrophobicContact CB-CG2 3.96Å; I480-V891 HydrophobicContact CG2-CG1 4.15Å; I480-V891 HydrophobicContact CG2-CG2 4.06Å
481	Y	86	Confident	80.5	Confident	44 Å²	44	29.7 Å²	29.7	17%	0.173	16%	0.162	C	C	.	.	H	α-helix	trans	-51.2	-48.5	169.6	162.1	-119.3	0	0	0	110.9	I477 G483 T484 V485 L894 S898	I477-Y481 WeakPolarHBondContact O-CB 3.37Å; I477-Y481 PolarHBondContact O-N 2.89Å; Y481-G483 PolarHBondContact O-N 2.91Å; Y481-T484 PolarHBondContact O-N 3.5Å; Y481-V485 HydrophobicContact CD2-CG2 3.73Å; Y481-V485 HydrophobicContact CE2-CG2 3.32Å; Y481-V485 WeakPolarHBondContact O-CB 3.47Å; Y481-V485 WeakPolarHBondContact O-CG2 3.49Å; Y481-V485 PolarHBondContact O-N 3.39Å; Y481-L894 HydrophobicContact CD2-CB 3.46Å; Y481-L894 VanDerWaalsContact CD2-CB 3.46Å; Y481-L894 VanDerWaalsContact CE2-C 3.43Å; Y481-L894 HydrophobicContact CE2-CB 3.57Å; Y481-L894 WeakPolarHBondContact CE2-O 3.29Å; Y481-L894 HydrophobicContact CG-CB 4.04Å; Y481-L894 HydrophobicContact CG-CD1 4.27Å; Y481-S898 WeakPolarHBondContact CE2-OG 2.99Å; Y481-S898 PolarHBondContact OH-OG 3.32Å
482	L	75.7	Confident	80.8	Confident	35 Å²	35	22.9 Å²	22.9	18%	0.183	13%	0.127	C	C	.	.	H	α-helix	trans	-71.3	-32.6	-176.2	-65.8	167.2	0	0	0	112.4	L478 F479 I480 T486 F738 I741	L478-L482 WeakPolarHBondContact O-CB 3.35Å; L478-L482 WeakPolarHBondContact O-CD1 3.32Å; L478-L482 WeakPolarHBondContact O-CG 3.33Å; L478-L482 PolarHBondContact O-N 2.76Å; F479-L482 PolarHBondContact O-N 3.44Å; I480-L482 PolarHBondContact O-N 2.82Å; L482-T486 WeakPolarHBondContact O-CB 3.5Å; L482-T486 PolarHBondContact O-N 3.21Å; L482-T486 PolarHBondContact O-OG1 3.42Å; L482-F738 HydrophobicContact CD1-CD1 4.29Å; L482-F738 HydrophobicContact CD1-CE1 4.27Å; L482-I741 HydrophobicContact CB-CD1 3.74Å; L482-I741 HydrophobicContact CB-CG1 3.55Å; L482-I741 HydrophobicContact CD1-CB 4.35Å; L482-I741 HydrophobicContact CD1-CD1 4.32Å; L482-I741 HydrophobicContact CD1-CG1 3.71Å; L482-I741 HydrophobicContact CD1-CG2 4.35Å; L482-I741 HydrophobicContact CD2-CD1 3.71Å; L482-I741 HydrophobicContact CD2-CG1 4.07Å; L482-I741 HydrophobicContact CG-CD1 4.06Å; L482-I741 HydrophobicContact CG-CG1 3.91Å
483	G	76.4	Confident	80.8	Confident	23 Å²	23	22 Å²	22	24%	0.237	13%	0.126	C	C	.	.	H	α-helix	trans	-63.9	-49.8	167.7	0	0	0	0	0	112.8	F479 I480 Y481 T486 N487	F479-G483 PolarHBondContact O-N 3.39Å; I480-G483 PolarHBondContact O-N 2.95Å; Y481-G483 PolarHBondContact O-N 2.91Å; G483-T486 PolarHBondContact O-N 3.37Å; G483-N487 PolarHBondContact O-N 2.99Å
484	T	84.8	Confident	80.6	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-43.7	-179.5	-60.2	0	0	0	0	112.2	I480 Y481 N487 A488 T512 F892 T895	I480-T484 WeakPolarHBondContact O-CB 3.09Å; I480-T484 PolarHBondContact O-N 2.82Å; I480-T484 PolarHBondContact O-OG1 2.99Å; I480-T484 VanDerWaalsContact O-OG1 3.08Å; Y481-T484 PolarHBondContact O-N 3.5Å; T484-N487 PolarHBondContact O-N 2.73Å; T484-A488 WeakPolarHBondContact O-CB 3.42Å; T484-A488 PolarHBondContact O-N 2.91Å; T484-T512 HydrophobicContact CG2-CG2 3.65Å; T484-F892 HydrophobicContact CG2-CD1 4.34Å; T484-F892 HydrophobicContact CG2-CE1 3.96Å; T484-T895 HydrophobicContact CG2-CG2 4.26Å
485	V	82.7	Confident	80.6	Confident	15 Å²	15	17.7 Å²	17.7	9%	0.091	10%	0.103	C	C	.	.	H	α-helix	trans	-60	-47.4	174.6	167.9	0	0	0	0	111.1	Y481 N487 A488 I489 F509 T895 S898	Y481-V485 HydrophobicContact CD2-CG2 3.73Å; Y481-V485 HydrophobicContact CE2-CG2 3.32Å; Y481-V485 WeakPolarHBondContact O-CB 3.47Å; Y481-V485 WeakPolarHBondContact O-CG2 3.49Å; Y481-V485 PolarHBondContact O-N 3.39Å; V485-N487 PolarHBondContact O-N 2.76Å; V485-A488 PolarHBondContact O-N 3.19Å; V485-I489 HydrophobicContact CG1-CD1 3.72Å; V485-I489 HydrophobicContact CG1-CG1 4.38Å; V485-I489 WeakPolarHBondContact O-CB 3.1Å; V485-I489 VanDerWaalsContact O-CG1 3.24Å; V485-I489 WeakPolarHBondContact O-CG1 3.42Å; V485-I489 PolarHBondContact O-N 2.74Å; V485-F509 HydrophobicContact CG1-CE1 4.13Å; V485-F509 HydrophobicContact CG1-CZ 4.1Å; V485-F509 HydrophobicContact CG2-CE1 4.28Å; V485-T895 HydrophobicContact CG2-CG2 4.31Å; V485-S898 WeakPolarHBondContact CG2-OG 3.41Å
486	T	76.3	Confident	81	Confident	8 Å²	8	15.9 Å²	15.9	5%	0.049	9%	0.091	C	C	.	.	H	α-helix	trans	-60	-38	177.6	-55.5	0	0	0	0	111.4	L482 G483 T490 I744 L913 V916	L482-T486 WeakPolarHBondContact O-CB 3.5Å; L482-T486 PolarHBondContact O-N 3.21Å; L482-T486 PolarHBondContact O-OG1 3.42Å; G483-T486 PolarHBondContact O-N 3.37Å; T486-T490 WeakPolarHBondContact O-CB 3.33Å; T486-T490 VanDerWaalsContact O-CG2 3.27Å; T486-T490 WeakPolarHBondContact O-CG2 3.29Å; T486-T490 PolarHBondContact O-N 3.09Å; T486-T490 PolarHBondContact O-OG1 3.47Å; T486-I744 HydrophobicContact CG2-CD1 4.41Å; T486-L913 HydrophobicContact CG2-CD2 4.1Å; T486-V916 HydrophobicContact CG2-CG1 4.09Å
487	N	80.6	Confident	80.9	Confident	13 Å²	13	20.6 Å²	20.6	7%	0.07	12%	0.116	C	C	.	.	H	α-helix	trans	-71.8	-41.3	178.4	-153.4	45.6	0	0	0	112.6	G483 T484 V485 T490 F491 S531 I855	G483-N487 PolarHBondContact O-N 2.99Å; T484-N487 PolarHBondContact O-N 2.73Å; V485-N487 PolarHBondContact O-N 2.76Å; N487-T490 PolarHBondContact O-N 2.67Å; N487-T490 PolarHBondContact O-OG1 2.95Å; N487-F491 WeakPolarHBondContact O-CB 3.28Å; N487-F491 PolarHBondContact O-N 3.03Å; N487-F491 VanDerWaalsContact OD1-CD2 3.22Å; N487-F491 WeakPolarHBondContact OD1-CD2 3.04Å; N487-F491 WeakPolarHBondContact OD1-CE2 3.38Å; N487-S531 PolarHBondContact ND2-OG 3.35Å; N487-I855 HydrophobicContact CB-CD1 3.89Å
488	A	84.5	Confident	80.5	Confident	5 Å²	5	20.6 Å²	20.6	4%	0.041	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-42.5	177.6	0	0	0	0	0	112.3	T484 V485 G492 F509	T484-A488 WeakPolarHBondContact O-CB 3.42Å; T484-A488 PolarHBondContact O-N 2.91Å; V485-A488 PolarHBondContact O-N 3.19Å; A488-G492 WeakPolarHBondContact O-CA 3.45Å; A488-G492 PolarHBondContact O-N 2.94Å; A488-F509 HydrophobicContact CB-CD1 4.42Å; A488-F509 HydrophobicContact CB-CE1 4.42Å
489	I	80.3	Confident	80.8	Confident	6 Å²	6	17.5 Å²	17.5	3%	0.031	10%	0.101	C	C	.	.	H	α-helix	trans	-57.7	-51.3	174.1	-71.2	170	0	0	0	110.6	V485 G493 F509 L761 L905 L913	V485-I489 HydrophobicContact CG1-CD1 3.72Å; V485-I489 HydrophobicContact CG1-CG1 4.38Å; V485-I489 WeakPolarHBondContact O-CB 3.1Å; V485-I489 VanDerWaalsContact O-CG1 3.24Å; V485-I489 WeakPolarHBondContact O-CG1 3.42Å; V485-I489 PolarHBondContact O-N 2.74Å; I489-G493 PolarHBondContact O-N 2.85Å; I489-F509 HydrophobicContact CD1-CZ 4.11Å; I489-F509 HydrophobicContact CG1-CE2 3.66Å; I489-F509 HydrophobicContact CG1-CZ 3.48Å; I489-F509 VanDerWaalsContact CG1-CZ 3.48Å; I489-L761 HydrophobicContact CG2-CD1 3.3Å; I489-L761 HydrophobicContact CG2-CD2 3.8Å; I489-L761 HydrophobicContact CG2-CG 4.2Å; I489-L905 HydrophobicContact CD1-CD2 3.68Å; I489-L905 HydrophobicContact CD1-CG 4.07Å; I489-L905 HydrophobicContact CG1-CD2 3.93Å; I489-L913 HydrophobicContact CG2-CD1 3.85Å
490	T	76.2	Confident	81.1	Confident	11 Å²	11	20.1 Å²	20.1	7%	0.067	12%	0.117	C	C	.	.	H	α-helix	trans	-76.5	-44.4	-169	53.1	0	0	0	0	112.7	T486 N487 G492 G493 L494 L913 F917	T486-T490 WeakPolarHBondContact O-CB 3.33Å; T486-T490 VanDerWaalsContact O-CG2 3.27Å; T486-T490 WeakPolarHBondContact O-CG2 3.29Å; T486-T490 PolarHBondContact O-N 3.09Å; T486-T490 PolarHBondContact O-OG1 3.47Å; N487-T490 PolarHBondContact O-N 2.67Å; N487-T490 PolarHBondContact O-OG1 2.95Å; T490-G492 VanDerWaalsContact C-N 3.34Å; T490-G493 PolarHBondContact O-N 2.82Å; T490-L494 WeakPolarHBondContact O-CD1 3.45Å; T490-L494 WeakPolarHBondContact O-CG 3.44Å; T490-L494 PolarHBondContact O-N 3.22Å; T490-L494 VanDerWaalsContact O-N 3.12Å; T490-L913 HydrophobicContact CG2-CB 3.74Å; T490-L913 HydrophobicContact CG2-CD1 3.96Å; T490-L913 HydrophobicContact CG2-CD2 4.02Å; T490-L913 HydrophobicContact CG2-CG 4.12Å; T490-F917 HydrophobicContact CG2-CE2 4Å; T490-F917 HydrophobicContact CG2-CZ 3.99Å; T490-F917 WeakPolarHBondContact OG1-CE1 3.44Å; T490-F917 WeakPolarHBondContact OG1-CZ 3.22Å
491	F	80	Confident	81	Confident	8 Å²	8	23.9 Å²	23.9	4%	0.035	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-36.4	172.1	-82.2	-69.1	0	0	0	112.3	N487 L494 L495 L537 F604	N487-F491 WeakPolarHBondContact O-CB 3.28Å; N487-F491 PolarHBondContact O-N 3.03Å; N487-F491 VanDerWaalsContact OD1-CD2 3.22Å; N487-F491 WeakPolarHBondContact OD1-CD2 3.04Å; N487-F491 WeakPolarHBondContact OD1-CE2 3.38Å; F491-L494 PolarHBondContact O-N 3.41Å; F491-L495 VanDerWaalsContact O-CB 3.3Å; F491-L495 WeakPolarHBondContact O-CB 3.44Å; F491-L495 PolarHBondContact O-N 3.07Å; F491-L537 HydrophobicContact CD1-CB 4.48Å; F491-L537 HydrophobicContact CD1-CD2 4Å; F491-L537 HydrophobicContact CE1-CD2 4.21Å; F491-F604 AromaticContact CZ-CE1 3.87Å; F491-F604 HydrophobicContact CZ-CE1 3.87Å; F491-F604 HydrophobicContact CZ-CZ 4.1Å
492	G	84	Confident	80.8	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.5	-37.2	176.2	0	0	0	0	0	113.9	A488 T490 L495 G496 G504 S508	A488-G492 WeakPolarHBondContact O-CA 3.45Å; A488-G492 PolarHBondContact O-N 2.94Å; T490-G492 VanDerWaalsContact C-N 3.34Å; G492-L495 PolarHBondContact O-N 3.48Å; G492-G496 PolarHBondContact O-N 3.46Å; G492-G504 CarbonylContact O-C 3.51Å; G492-S508 WeakPolarHBondContact CA-OG 3.26Å
493	G	78.3	Confident	81.1	Confident	14 Å²	14	22.5 Å²	22.5	14%	0.144	13%	0.132	C	C	.	.	H	α-helix	trans	-66.2	-44.3	172.8	0	0	0	0	0	112.2	I489 T490 L495 G496 D497	I489-G493 PolarHBondContact O-N 2.85Å; T490-G493 PolarHBondContact O-N 2.82Å; G493-L495 VanDerWaalsContact C-N 3.29Å; G493-L495 PolarHBondContact O-N 3.42Å; G493-G496 PolarHBondContact O-N 3.26Å; G493-D497 PolarHBondContact O-N 2.66Å
494	L	77.9	Confident	81.5	Confident	22 Å²	22	21.5 Å²	21.5	12%	0.115	12%	0.122	C	C	.	.	H	α-helix	trans	-65.7	-31.3	176.9	-65.3	168.6	0	0	0	113.2	T490 F491 A498 L537 K611 F917	T490-L494 WeakPolarHBondContact O-CD1 3.45Å; T490-L494 WeakPolarHBondContact O-CG 3.44Å; T490-L494 PolarHBondContact O-N 3.22Å; T490-L494 VanDerWaalsContact O-N 3.12Å; F491-L494 PolarHBondContact O-N 3.41Å; L494-A498 WeakPolarHBondContact O-CB 3.49Å; L494-A498 PolarHBondContact O-N 3.32Å; L494-A498 VanDerWaalsContact O-N 3.09Å; L494-L537 HydrophobicContact CB-CD1 4.49Å; L494-L537 HydrophobicContact CB-CD2 3.8Å; L494-L537 HydrophobicContact CD1-CD2 4.19Å; L494-K611 HydrophobicContact CD2-CD 3.91Å; L494-F917 HydrophobicContact CD1-CE2 4.06Å; L494-F917 HydrophobicContact CD1-CZ 4.08Å
495	L	83.1	Confident	81.4	Confident	4 Å²	4	21.9 Å²	21.9	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-73.3	-37.2	174.8	-170.1	63.6	0	0	0	111.4	F491 G492 G493 A498 T499 Q503 L537 E540 P847	F491-L495 VanDerWaalsContact O-CB 3.3Å; F491-L495 WeakPolarHBondContact O-CB 3.44Å; F491-L495 PolarHBondContact O-N 3.07Å; G492-L495 PolarHBondContact O-N 3.48Å; G493-L495 VanDerWaalsContact C-N 3.29Å; G493-L495 PolarHBondContact O-N 3.42Å; L495-A498 PolarHBondContact O-N 3.43Å; L495-T499 HydrophobicContact CD1-CG2 3.98Å; L495-T499 HydrophobicContact CG-CG2 4.43Å; L495-T499 WeakPolarHBondContact O-CB 3.5Å; L495-T499 WeakPolarHBondContact O-CG2 3.39Å; L495-T499 PolarHBondContact O-N 3.07Å; L495-T499 PolarHBondContact O-OG1 2.94Å; L495-Q503 CarbonylContact C-O 3.34Å; L495-Q503 VanDerWaalsContact C-O 3.3Å; L495-Q503 HydrophobicContact CD2-CB 4.29Å; L495-Q503 HydrophobicContact CD2-CG 3.93Å; L495-Q503 HydrophobicContact CG-CB 4.41Å; L495-L537 HydrophobicContact CB-CD1 4Å; L495-L537 HydrophobicContact CD1-CD1 3.7Å; L495-L537 HydrophobicContact CG-CD1 4.46Å; L495-E540 HydrophobicContact CD1-CB 3.98Å; L495-E540 HydrophobicContact CD1-CG 4.46Å; L495-P847 HydrophobicContact CD2-CB 4.22Å; L495-P847 HydrophobicContact CD2-CG 3.8Å
496	G	83.4	Confident	81.4	Confident	3 Å²	3	21.4 Å²	21.4	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-58.2	-53.7	170.7	0	0	0	0	0	111.8	G492 G493 A498 T499 D500 N501 Q503	G492-G496 PolarHBondContact O-N 3.46Å; G493-G496 PolarHBondContact O-N 3.26Å; G496-A498 PolarHBondContact O-N 3.39Å; G496-T499 PolarHBondContact O-N 3.07Å; G496-D500 PolarHBondContact O-N 3.48Å; G496-N501 PolarHBondContact O-N 2.93Å; G496-Q503 VanDerWaalsContact CA-O 3.27Å; G496-Q503 WeakPolarHBondContact CA-O 3.41Å; G496-Q503 PolarHBondContact N-O 3.27Å; G496-Q503 VanDerWaalsContact N-O 3.15Å
497	D	79.9	Confident	82	Confident	101 Å²	101	21 Å²	21	54%	0.54	12%	0.119	S	C	.	.	H	α-helix	trans	-57.1	-32.3	175.1	-80.5	2.4	0	0	0	113.4	G493	G493-D497 PolarHBondContact O-N 2.66Å
498	A	79.7	Confident	82.3	Confident	14 Å²	14	20.5 Å²	20.5	12%	0.116	12%	0.116	C	C	.	.	H	α-helix	trans	-87.2	-16.8	-177	0	0	0	0	0	114.3	L494 L495 G496 R541 F544	L494-A498 WeakPolarHBondContact O-CB 3.49Å; L494-A498 PolarHBondContact O-N 3.32Å; L494-A498 VanDerWaalsContact O-N 3.09Å; L495-A498 PolarHBondContact O-N 3.43Å; G496-A498 PolarHBondContact O-N 3.39Å; A498-R541 HydrophobicContact CB-CB 4.08Å; A498-R541 HydrophobicContact CB-CG 4.05Å; A498-F544 VanDerWaalsContact O-CD1 3.28Å; A498-F544 WeakPolarHBondContact O-CD1 3.15Å
499	T	83.9	Confident	82.5	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	19.2	-173.7	64.4	0	0	0	0	113.3	L495 G496 N501 M502 Q503 F544	L495-T499 HydrophobicContact CD1-CG2 3.98Å; L495-T499 HydrophobicContact CG-CG2 4.43Å; L495-T499 WeakPolarHBondContact O-CB 3.5Å; L495-T499 WeakPolarHBondContact O-CG2 3.39Å; L495-T499 PolarHBondContact O-N 3.07Å; L495-T499 PolarHBondContact O-OG1 2.94Å; G496-T499 PolarHBondContact O-N 3.07Å; T499-N501 PolarHBondContact O-N 3.41Å; T499-M502 VanDerWaalsContact O-CB 3.24Å; T499-M502 WeakPolarHBondContact O-CB 3.08Å; T499-M502 VanDerWaalsContact O-CG 3.3Å; T499-M502 WeakPolarHBondContact O-CG 3.47Å; T499-M502 PolarHBondContact O-N 2.65Å; T499-Q503 PolarHBondContact OG1-N 2.9Å; T499-Q503 PolarHBondContact OG1-O 3.43Å; T499-F544 VanDerWaalsContact C-CZ 3.44Å; T499-F544 HydrophobicContact CG2-CB 4.35Å; T499-F544 HydrophobicContact CG2-CD2 4.45Å; T499-F544 HydrophobicContact CG2-CG 4.33Å; T499-F544 WeakPolarHBondContact O-CE2 3.44Å; T499-F544 VanDerWaalsContact O-CZ 3.31Å; T499-F544 WeakPolarHBondContact O-CZ 3.48Å
500	D	83.5	Confident	82.9	Confident	93 Å²	93	22.3 Å²	22.3	50%	0.497	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	44.5	-173.7	-58.9	-34.7	0	0	0	112.5	G496 M502 F544 K548	G496-D500 PolarHBondContact O-N 3.48Å; D500-M502 PolarHBondContact O-N 2.88Å; D500-F544 HydrophobicContact CB-CE1 4.27Å; D500-F544 HydrophobicContact CB-CZ 3.92Å; D500-F544 WeakPolarHBondContact OD2-CE1 3.23Å; D500-F544 WeakPolarHBondContact OD2-CZ 3.5Å; D500-K548 IonicContact OD2-NZ 3.9Å; D500-K548 PolarHBondContact OD2-NZ 3.4Å
501	N	83.1	Confident	83.6	Confident	81 Å²	81	21.8 Å²	21.8	43%	0.433	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	16	-176.2	-67.9	-42.7	0	0	0	116.4	G496 T499 Q503 T770	G496-N501 PolarHBondContact O-N 2.93Å; T499-N501 PolarHBondContact O-N 3.41Å; N501-Q503 PolarHBondContact O-N 3.29Å; N501-T770 HydrophobicContact CB-CG2 4.05Å
502	M	81.9	Confident	84.1	Confident	51 Å²	51	21.5 Å²	21.5	25%	0.251	12%	0.12	S	C	.	.	S	Bend	trans	-65.7	-23.6	170.1	-70.8	-64.7	-74.6	0	0	113	T499 D500 F544 L559 R774	T499-M502 VanDerWaalsContact O-CB 3.24Å; T499-M502 WeakPolarHBondContact O-CB 3.08Å; T499-M502 VanDerWaalsContact O-CG 3.3Å; T499-M502 WeakPolarHBondContact O-CG 3.47Å; T499-M502 PolarHBondContact O-N 2.65Å; D500-M502 PolarHBondContact O-N 2.88Å; M502-F544 HydrophobicContact CG-CE2 4.15Å; M502-L559 HydrophobicContact CE-CD1 3.79Å; M502-L559 HydrophobicContact CE-CG 4.01Å; M502-R774 PolarHBondContact O-NE 2.67Å; M502-R774 VanDerWaalsContact O-NE 3.09Å; M502-R774 PolarHBondContact O-NH1 3.08Å; M502-R774 PolarHBondContact O-NH2 3.06Å
503	Q	82.8	Confident	84.5	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-150	124.4	174.6	-162.8	163.8	-60.1	0	0	109.6	L495 G496 T499 N501 E507 R562 G845 P847	L495-Q503 CarbonylContact C-O 3.34Å; L495-Q503 VanDerWaalsContact C-O 3.3Å; L495-Q503 HydrophobicContact CD2-CB 4.29Å; L495-Q503 HydrophobicContact CD2-CG 3.93Å; L495-Q503 HydrophobicContact CG-CB 4.41Å; G496-Q503 VanDerWaalsContact CA-O 3.27Å; G496-Q503 WeakPolarHBondContact CA-O 3.41Å; G496-Q503 PolarHBondContact N-O 3.27Å; G496-Q503 VanDerWaalsContact N-O 3.15Å; T499-Q503 PolarHBondContact OG1-N 2.9Å; T499-Q503 PolarHBondContact OG1-O 3.43Å; N501-Q503 PolarHBondContact O-N 3.29Å; Q503-E507 HydrophobicContact CG-CB 4.36Å; Q503-R562 VanDerWaalsContact NE2-NH2 3.14Å; Q503-G845 PolarHBondContact OE1-O 3.05Å; Q503-G845 VanDerWaalsContact OE1-O 3.08Å; Q503-P847 HydrophobicContact CG-CG 4.48Å; Q503-P847 VanDerWaalsContact NE2-CA 3.31Å; Q503-P847 VanDerWaalsContact NE2-N 3.15Å
504	G	83.8	Confident	85.2	Confident	2 Å²	2	24.2 Å²	24.2	2%	0.021	13%	0.133	C	C	.	.			trans	-132.8	-152.8	-167.5	0	0	0	0	0	115.2	G492 E507 S508	G492-G504 CarbonylContact O-C 3.51Å; G504-E507 WeakPolarHBondContact CA-OE2 3.37Å; G504-E507 PolarHBondContact N-OE2 3.16Å; G504-S508 WeakPolarHBondContact O-CB 3.3Å; G504-S508 PolarHBondContact O-N 3.31Å; G504-S508 PolarHBondContact O-OG 3.21Å
505	V	82.7	Confident	85.9	Confident	8 Å²	8	23.2 Å²	23.2	5%	0.048	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-42.9	-175.8	177.5	0	0	0	0	111.7	E507 S508 F509 L761 V763	V505-E507 PolarHBondContact O-N 3.09Å; V505-S508 WeakPolarHBondContact O-CB 3.08Å; V505-S508 PolarHBondContact O-N 2.75Å; V505-F509 HydrophobicContact CG1-CD2 3.75Å; V505-F509 HydrophobicContact CG1-CE2 3.64Å; V505-F509 WeakPolarHBondContact O-CD2 3.43Å; V505-F509 PolarHBondContact O-N 3.07Å; V505-L761 HydrophobicContact CG2-CD2 4.33Å; V505-V763 HydrophobicContact CG1-CG2 4.3Å
506	L	84	Confident	86.3	Confident	6 Å²	6	23 Å²	23	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-65.7	-42.7	-175.1	-172.2	70.4	0	0	0	112.3	S508 F509 L510 F767 K768 W776 V899	L506-S508 PolarHBondContact O-N 3.2Å; L506-F509 PolarHBondContact O-N 3.47Å; L506-L510 PolarHBondContact O-N 3.26Å; L506-F767 HydrophobicContact CD1-CD2 4.12Å; L506-F767 HydrophobicContact CD1-CE2 4.41Å; L506-F767 HydrophobicContact CD2-CD2 4.05Å; L506-F767 HydrophobicContact CD2-CE2 4.41Å; L506-F767 HydrophobicContact CG-CD2 4.43Å; L506-K768 WeakPolarHBondContact CD2-O 3.34Å; L506-W776 HydrophobicContact CD2-CH2 4Å; L506-W776 HydrophobicContact CD2-CZ2 4.03Å; L506-W776 HydrophobicContact CG-CH2 4.27Å; L506-V899 HydrophobicContact CD1-CG1 3.52Å; L506-V899 HydrophobicContact CD1-CG2 4.26Å
507	E	87.6	Confident	86.7	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71.5	-24.9	177.5	-57.5	101.1	148.9	0	0	112.1	Q503 G504 V505 G511 T770 R774 W776 L846 P847 Y849	Q503-E507 HydrophobicContact CG-CB 4.36Å; G504-E507 WeakPolarHBondContact CA-OE2 3.37Å; G504-E507 PolarHBondContact N-OE2 3.16Å; V505-E507 PolarHBondContact O-N 3.09Å; E507-G511 PolarHBondContact O-N 3.27Å; E507-T770 PolarHBondContact OE1-N 3.22Å; E507-T770 PolarHBondContact OE1-OG1 3.46Å; E507-T770 PolarHBondContact OE2-OG1 2.79Å; E507-R774 VanDerWaalsContact CG-NH2 3.28Å; E507-R774 IonicContact OE1-CZ 3.42Å; E507-R774 IonicContact OE1-NE 3.66Å; E507-R774 IonicContact OE1-NH2 2.74Å; E507-R774 PolarHBondContact OE1-NH2 3.37Å; E507-W776 HydrophobicContact CG-CH2 4.13Å; E507-W776 HydrophobicContact CG-CZ3 3.73Å; E507-L846 HydrophobicContact CB-CD2 3.94Å; E507-L846 HydrophobicContact CG-CD2 4.49Å; E507-P847 WeakPolarHBondContact O-CD 3.47Å; E507-Y849 PolarHBondContact O-OH 3.09Å
508	S	88.3	Confident	87.4	Confident	2 Å²	2	21.7 Å²	21.7	1%	0.014	13%	0.125	C	C	.	.	H	α-helix	trans	-70.5	-38.7	170.5	-56.8	0	0	0	0	112.2	G492 G504 V505 L506 T512 Y849	G492-S508 WeakPolarHBondContact CA-OG 3.26Å; G504-S508 WeakPolarHBondContact O-CB 3.3Å; G504-S508 PolarHBondContact O-N 3.31Å; G504-S508 PolarHBondContact O-OG 3.21Å; V505-S508 WeakPolarHBondContact O-CB 3.08Å; V505-S508 PolarHBondContact O-N 2.75Å; L506-S508 PolarHBondContact O-N 3.2Å; S508-T512 WeakPolarHBondContact O-CB 3.4Å; S508-T512 PolarHBondContact O-N 3.09Å; S508-T512 VanDerWaalsContact O-N 3.08Å; S508-T512 PolarHBondContact O-OG1 3.43Å; S508-Y849 WeakPolarHBondContact CA-OH 3.17Å; S508-Y849 PolarHBondContact O-OH 3.23Å
509	F	88.5	Confident	88.1	Confident	5 Å²	5	21 Å²	21	2%	0.022	12%	0.119	C	C	.	.	H	α-helix	trans	-64.8	-53.7	171	-89.3	-76.9	0	0	0	112.6	V485 A488 I489 V505 L506 G511 T512 A513 T895 V899 L905	V485-F509 HydrophobicContact CG1-CE1 4.13Å; V485-F509 HydrophobicContact CG1-CZ 4.1Å; V485-F509 HydrophobicContact CG2-CE1 4.28Å; A488-F509 HydrophobicContact CB-CD1 4.42Å; A488-F509 HydrophobicContact CB-CE1 4.42Å; I489-F509 HydrophobicContact CD1-CZ 4.11Å; I489-F509 HydrophobicContact CG1-CE2 3.66Å; I489-F509 HydrophobicContact CG1-CZ 3.48Å; I489-F509 VanDerWaalsContact CG1-CZ 3.48Å; V505-F509 HydrophobicContact CG1-CD2 3.75Å; V505-F509 HydrophobicContact CG1-CE2 3.64Å; V505-F509 WeakPolarHBondContact O-CD2 3.43Å; V505-F509 PolarHBondContact O-N 3.07Å; L506-F509 PolarHBondContact O-N 3.47Å; F509-G511 VanDerWaalsContact C-N 3.34Å; F509-G511 PolarHBondContact O-N 3.39Å; F509-T512 PolarHBondContact O-N 3.27Å; F509-A513 WeakPolarHBondContact O-CB 3.31Å; F509-A513 PolarHBondContact O-N 3.36Å; F509-T895 HydrophobicContact CD1-CG2 3.9Å; F509-T895 WeakPolarHBondContact CD1-O 3.49Å; F509-T895 HydrophobicContact CE1-CG2 4.24Å; F509-V899 HydrophobicContact CB-CG2 3.71Å; F509-V899 HydrophobicContact CD1-CG2 4.49Å; F509-V899 HydrophobicContact CG-CG2 4.18Å; F509-L905 HydrophobicContact CE2-CD2 3.74Å; F509-L905 HydrophobicContact CZ-CD2 3.58Å
510	L	88.7	Confident	88.4	Confident	43 Å²	43	21 Å²	21	23%	0.225	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-44.1	-176.3	-176.2	65.9	0	0	0	111.4	L506 L514 F767 W776 M844 L846	L506-L510 PolarHBondContact O-N 3.26Å; L510-L514 VanDerWaalsContact O-CB 3.3Å; L510-L514 WeakPolarHBondContact O-CB 3.42Å; L510-L514 PolarHBondContact O-N 3.12Å; L510-F767 HydrophobicContact CD1-CZ 4.34Å; L510-F767 HydrophobicContact CD2-CZ 4.04Å; L510-W776 HydrophobicContact CD2-CE3 3.91Å; L510-W776 HydrophobicContact CD2-CH2 3.75Å; L510-W776 HydrophobicContact CD2-CZ2 4.5Å; L510-W776 HydrophobicContact CD2-CZ3 3.41Å; L510-W776 VanDerWaalsContact CD2-CZ3 3.41Å; L510-M844 HydrophobicContact CD2-CE 4.46Å; L510-L846 HydrophobicContact CB-CD2 4.5Å; L510-L846 HydrophobicContact CD2-CD2 4.32Å
511	G	90.4	Very high	88.8	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.7	-45.3	177.8	0	0	0	0	0	112.9	E507 F509 A513 L514 S515 Y849	E507-G511 PolarHBondContact O-N 3.27Å; F509-G511 VanDerWaalsContact C-N 3.34Å; F509-G511 PolarHBondContact O-N 3.39Å; G511-A513 VanDerWaalsContact C-N 3.33Å; G511-A513 PolarHBondContact O-N 3.33Å; G511-L514 PolarHBondContact O-N 3.04Å; G511-S515 WeakPolarHBondContact O-CB 3.28Å; G511-S515 PolarHBondContact O-N 3.02Å; G511-S515 PolarHBondContact O-OG 3.11Å; G511-Y849 VanDerWaalsContact CA-CE2 3.44Å; G511-Y849 WeakPolarHBondContact CA-OH 3.46Å
512	T	91.5	Very high	89.1	Confident	2 Å²	2	19.2 Å²	19.2	1%	0.012	11%	0.109	C	C	.	.	H	α-helix	trans	-59.5	-44.9	177.3	-58.6	0	0	0	0	111.1	T484 S508 F509 G516 Y849 F892 T895	T484-T512 HydrophobicContact CG2-CG2 3.65Å; S508-T512 WeakPolarHBondContact O-CB 3.4Å; S508-T512 PolarHBondContact O-N 3.09Å; S508-T512 VanDerWaalsContact O-N 3.08Å; S508-T512 PolarHBondContact O-OG1 3.43Å; F509-T512 PolarHBondContact O-N 3.27Å; T512-G516 WeakPolarHBondContact O-CA 3.34Å; T512-G516 PolarHBondContact O-N 3.4Å; T512-Y849 VanDerWaalsContact N-CZ 3.26Å; T512-Y849 PolarHBondContact N-OH 3.28Å; T512-Y849 WeakPolarHBondContact OG1-CE1 3.48Å; T512-F892 HydrophobicContact CG2-CD1 4.02Å; T512-F892 HydrophobicContact CG2-CE1 3.69Å; T512-F892 WeakPolarHBondContact O-CD1 3.35Å; T512-F892 WeakPolarHBondContact O-CE1 3.22Å; T512-T895 HydrophobicContact CG2-CG2 4.38Å
513	A	92.4	Very high	89.5	Confident	13 Å²	13	16.8 Å²	16.8	11%	0.107	10%	0.097	C	C	.	.	H	α-helix	trans	-62.8	-46.5	178	0	0	0	0	0	112.2	F509 G511 A517 F892	F509-A513 WeakPolarHBondContact O-CB 3.31Å; F509-A513 PolarHBondContact O-N 3.36Å; G511-A513 VanDerWaalsContact C-N 3.33Å; G511-A513 PolarHBondContact O-N 3.33Å; A513-A517 WeakPolarHBondContact O-CB 3.37Å; A513-A517 PolarHBondContact O-N 3.03Å; A513-A517 VanDerWaalsContact O-N 3.07Å; A513-F892 WeakPolarHBondContact CB-O 3.34Å
514	L	92.3	Very high	89.6	Confident	58 Å²	58	16.8 Å²	16.8	30%	0.304	10%	0.097	S	C	.	.	H	α-helix	trans	-70.4	-51	-177.5	-178.5	57.6	0	0	0	112.6	L510 G511 V518 L840 M844	L510-L514 VanDerWaalsContact O-CB 3.3Å; L510-L514 WeakPolarHBondContact O-CB 3.42Å; L510-L514 PolarHBondContact O-N 3.12Å; G511-L514 PolarHBondContact O-N 3.04Å; L514-V518 WeakPolarHBondContact O-CG2 3.41Å; L514-V518 PolarHBondContact O-N 3.38Å; L514-L840 HydrophobicContact CD2-CD2 3.66Å; L514-L840 HydrophobicContact CG-CD2 4.3Å; L514-M844 HydrophobicContact CD2-CE 4Å; L514-M844 HydrophobicContact CD2-SD 3.62Å
515	S	92	Very high	89.9	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.007	10%	0.097	C	C	.	.	H	α-helix	trans	-65.9	-43.7	-179.2	67.2	0	0	0	0	111.1	G511 F519 L837 Y849	G511-S515 WeakPolarHBondContact O-CB 3.28Å; G511-S515 PolarHBondContact O-N 3.02Å; G511-S515 PolarHBondContact O-OG 3.11Å; S515-F519 WeakPolarHBondContact O-CB 3.42Å; S515-F519 PolarHBondContact O-N 2.89Å; S515-L837 VanDerWaalsContact O-CD1 3.27Å; S515-L837 WeakPolarHBondContact O-CD1 3.45Å; S515-Y849 WeakPolarHBondContact OG-CD2 3.41Å
516	G	91.9	Very high	90.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66.4	-43.7	-178.8	0	0	0	0	0	113.6	T512 F519 C520 F892	T512-G516 WeakPolarHBondContact O-CA 3.34Å; T512-G516 PolarHBondContact O-N 3.4Å; G516-F519 PolarHBondContact O-N 3.19Å; G516-C520 WeakPolarHBondContact O-CB 3.47Å; G516-C520 PolarHBondContact O-N 3.22Å; G516-F892 VanDerWaalsContact CA-CZ 3.48Å; G516-F892 VanDerWaalsContact O-CD2 3.32Å; G516-F892 WeakPolarHBondContact O-CD2 3.42Å
517	A	92.4	Very high	90.4	Very high	30 Å²	30	16.5 Å²	16.5	25%	0.248	10%	0.095	C	C	.	.	H	α-helix	trans	-64.1	-43.7	-180	0	0	0	0	0	112.2	A513 L521 F892	A513-A517 WeakPolarHBondContact O-CB 3.37Å; A513-A517 PolarHBondContact O-N 3.03Å; A513-A517 VanDerWaalsContact O-N 3.07Å; A517-L521 WeakPolarHBondContact O-CB 3.33Å; A517-L521 PolarHBondContact O-N 3.29Å; A517-F892 HydrophobicContact CB-CB 4.02Å
518	V	93.8	Very high	90.6	Very high	47 Å²	47	16.5 Å²	16.5	29%	0.285	10%	0.095	S	C	.	.	H	α-helix	trans	-66.9	-42.4	176.6	175	0	0	0	0	110.9	L514 L521 L522 W833 L837	L514-V518 WeakPolarHBondContact O-CG2 3.41Å; L514-V518 PolarHBondContact O-N 3.38Å; V518-L521 PolarHBondContact O-N 2.98Å; V518-L522 HydrophobicContact CG1-CD1 4.25Å; V518-L522 PolarHBondContact O-N 3.23Å; V518-L522 VanDerWaalsContact O-N 3.11Å; V518-W833 HydrophobicContact CG1-CE3 4.35Å; V518-W833 HydrophobicContact CG1-CZ3 4.43Å; V518-L837 HydrophobicContact CB-CD2 3.99Å; V518-L837 HydrophobicContact CG1-CD2 3.92Å
519	F	93.9	Very high	90.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63	-55.1	178.1	-176.6	-93.5	0	0	0	111.9	S515 G516 L521 L522 A523 T528 L530 D830 W833 V834 L837	S515-F519 WeakPolarHBondContact O-CB 3.42Å; S515-F519 PolarHBondContact O-N 2.89Å; G516-F519 PolarHBondContact O-N 3.19Å; F519-L521 PolarHBondContact O-N 2.78Å; F519-L521 VanDerWaalsContact O-N 3.1Å; F519-L522 PolarHBondContact O-N 3.1Å; F519-L522 VanDerWaalsContact O-N 3.1Å; F519-A523 HydrophobicContact CD1-CB 3.92Å; F519-A523 HydrophobicContact CD2-CB 4.06Å; F519-A523 HydrophobicContact CE1-CB 3.66Å; F519-A523 HydrophobicContact CE2-CB 3.83Å; F519-A523 HydrophobicContact CG-CB 4.11Å; F519-A523 HydrophobicContact CZ-CB 3.61Å; F519-A523 WeakPolarHBondContact O-CA 3.3Å; F519-A523 WeakPolarHBondContact O-CB 3.3Å; F519-A523 PolarHBondContact O-N 3.46Å; F519-T528 HydrophobicContact CE1-CG2 4.21Å; F519-T528 HydrophobicContact CZ-CG2 4.47Å; F519-L530 HydrophobicContact CB-CD1 3.48Å; F519-L530 VanDerWaalsContact CB-CD1 3.48Å; F519-L530 HydrophobicContact CB-CG 4Å; F519-L530 HydrophobicContact CD1-CD1 4.17Å; F519-L530 HydrophobicContact CD1-CD2 4.15Å; F519-L530 HydrophobicContact CD1-CG 3.79Å; F519-L530 HydrophobicContact CD2-CD1 3.84Å; F519-L530 HydrophobicContact CD2-CD2 4.23Å; F519-L530 HydrophobicContact CD2-CG 4.19Å; F519-L530 HydrophobicContact CE1-CD2 4.21Å; F519-L530 HydrophobicContact CE1-CG 4.34Å; F519-L530 HydrophobicContact CE2-CD2 4.28Å; F519-L530 HydrophobicContact CG-CD1 3.56Å; F519-L530 HydrophobicContact CG-CD2 4.17Å; F519-L530 HydrophobicContact CG-CG 3.71Å; F519-L530 HydrophobicContact CZ-CD2 4.28Å; F519-D830 HydrophobicContact CE2-CB 4.2Å; F519-D830 HydrophobicContact CZ-CB 4.13Å; F519-W833 HydrophobicContact CD2-CB 4.12Å; F519-V834 HydrophobicContact CD2-CG2 4.21Å; F519-V834 HydrophobicContact CE2-CG2 3.91Å; F519-L837 HydrophobicContact CB-CD1 3.93Å
520	C	91.5	Very high	90.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.3	-24.3	-179.9	-75.6	0	0	0	0	113.7	G516 P526 I889	G516-C520 WeakPolarHBondContact O-CB 3.47Å; G516-C520 PolarHBondContact O-N 3.22Å; C520-P526 WeakPolarHBondContact O-CB 3.27Å; C520-I889 HydrophobicContact CB-CG1 4.19Å
521	L	90.9	Very high	90.9	Very high	69 Å²	69	14.3 Å²	14.3	36%	0.361	8%	0.084	S	C	.	.	H	α-helix	trans	-72.5	-49.4	173	-159.8	157	0	0	0	111.2	F461 A517 V518 F519 R885 I889	F461-L521 WeakPolarHBondContact CE2-O 3.5Å; F461-L521 HydrophobicContact CZ-CD2 4.11Å; A517-L521 WeakPolarHBondContact O-CB 3.33Å; A517-L521 PolarHBondContact O-N 3.29Å; V518-L521 PolarHBondContact O-N 2.98Å; F519-L521 PolarHBondContact O-N 2.78Å; F519-L521 VanDerWaalsContact O-N 3.1Å; L521-R885 PolarHBondContact O-NH1 2.89Å; L521-I889 HydrophobicContact CB-CD1 4.16Å; L521-I889 HydrophobicContact CB-CG1 4.5Å; L521-I889 HydrophobicContact CD1-CD1 4.47Å; L521-I889 HydrophobicContact CG-CD1 4.2Å
522	L	90.9	Very high	90.7	Very high	66 Å²	66	14.9 Å²	14.9	35%	0.346	9%	0.088	S	C	.	.	H	α-helix	trans	-108	-8	-165.9	-60.6	169	0	0	0	115.9	V518 F519 W833	V518-L522 HydrophobicContact CG1-CD1 4.25Å; V518-L522 PolarHBondContact O-N 3.23Å; V518-L522 VanDerWaalsContact O-N 3.11Å; F519-L522 PolarHBondContact O-N 3.1Å; F519-L522 VanDerWaalsContact O-N 3.1Å; L522-W833 HydrophobicContact CB-CD2 3.98Å; L522-W833 VanDerWaalsContact CB-CE2 3.49Å; L522-W833 HydrophobicContact CB-CG 4.32Å; L522-W833 HydrophobicContact CB-CZ2 3.83Å; L522-W833 HydrophobicContact CD1-CD2 4.41Å; L522-W833 HydrophobicContact CD1-CE3 4.34Å; L522-W833 HydrophobicContact CD1-CH2 3.45Å; L522-W833 VanDerWaalsContact CD1-CH2 3.45Å; L522-W833 HydrophobicContact CD1-CZ2 3.5Å; L522-W833 HydrophobicContact CD1-CZ3 3.89Å; L522-W833 HydrophobicContact CG-CZ2 4.15Å; L522-W833 PolarHBondContact O-NE1 3.22Å
523	A	89.4	Confident	90.3	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.008	9%	0.092	C	C	.	.			trans	-64.5	156.1	179.6	0	0	0	0	0	113.2	F519 D830 R885	F519-A523 HydrophobicContact CD1-CB 3.92Å; F519-A523 HydrophobicContact CD2-CB 4.06Å; F519-A523 HydrophobicContact CE1-CB 3.66Å; F519-A523 HydrophobicContact CE2-CB 3.83Å; F519-A523 HydrophobicContact CG-CB 4.11Å; F519-A523 HydrophobicContact CZ-CB 3.61Å; F519-A523 WeakPolarHBondContact O-CA 3.3Å; F519-A523 WeakPolarHBondContact O-CB 3.3Å; F519-A523 PolarHBondContact O-N 3.46Å; A523-D830 WeakPolarHBondContact CB-OD1 3.44Å; A523-R885 PolarHBondContact O-NH1 3.15Å; A523-R885 PolarHBondContact O-NH2 3.4Å; A523-R885 VanDerWaalsContact O-NH2 3.09Å
524	G	85.6	Confident	89.6	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-64.5	-47.8	166.6	0	0	0	0	0	110.6	K457 P526 D830	K457-G524 WeakPolarHBondContact CD-O 3.37Å; K457-G524 WeakPolarHBondContact CE-O 3.35Å; K457-G524 PolarHBondContact NZ-O 3.1Å; G524-P526 WeakPolarHBondContact O-CD 3.39Å; G524-D830 VanDerWaalsContact CA-OD1 3.26Å; G524-D830 WeakPolarHBondContact CA-OD1 3.21Å; G524-D830 PolarHBondContact N-OD1 3.31Å
525	Q	89.9	Confident	88.8	Confident	3 Å²	3	14 Å²	14	1%	0.014	9%	0.088	C	C	.	.			trans	-113.8	90.6	-180	-166.6	62.7	-6	0	0	113.1	L527 T528 V814 N815 D830	Q525-L527 PolarHBondContact O-N 3.33Å; Q525-T528 WeakPolarHBondContact O-CB 3.39Å; Q525-T528 PolarHBondContact O-N 3.2Å; Q525-T528 PolarHBondContact O-OG1 2.88Å; Q525-V814 HydrophobicContact CG-CG1 3.5Å; Q525-V814 VanDerWaalsContact CG-CG1 3.5Å; Q525-N815 WeakPolarHBondContact CG-OD1 3.46Å; Q525-N815 PolarHBondContact NE2-OD1 2.84Å; Q525-N815 VanDerWaalsContact NE2-OD1 3.16Å; Q525-D830 WeakPolarHBondContact CB-OD2 3.27Å; Q525-D830 PolarHBondContact N-OD1 3.18Å
526	P	87.6	Confident	88.4	Confident	6 Å²	6	14.2 Å²	14.2	4%	0.039	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.6	-173.2	32.6	-38.5	0	0	0	114.6	C520 G524 T528 R885	C520-P526 WeakPolarHBondContact O-CB 3.27Å; G524-P526 WeakPolarHBondContact O-CD 3.39Å; P526-T528 PolarHBondContact O-N 3.28Å; P526-R885 HydrophobicContact CB-CB 4.42Å; P526-R885 HydrophobicContact CB-CG 3.66Å; P526-R885 HydrophobicContact CG-CG 3.68Å
527	L	89.4	Confident	87.9	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-21.4	171.9	-63	-178.2	0	0	0	112.2	Q525 V814 L821 H859 I860 L863 V881 E883	Q525-L527 PolarHBondContact O-N 3.33Å; L527-V814 HydrophobicContact CB-CG1 4.44Å; L527-L821 HydrophobicContact CD1-CD2 4.04Å; L527-H859 PolarHBondContact O-ND1 2.93Å; L527-I860 HydrophobicContact CB-CG1 4.34Å; L527-I860 HydrophobicContact CD1-CG1 4.23Å; L527-L863 HydrophobicContact CD2-CD1 3.75Å; L527-V881 HydrophobicContact CD1-CG1 4.21Å; L527-E883 HydrophobicContact CD1-CG 4.45Å
528	T	91	Very high	87.3	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-74.2	126	177.7	-55.9	0	0	0	0	110.8	F519 Q525 P526 T810 A851	F519-T528 HydrophobicContact CE1-CG2 4.21Å; F519-T528 HydrophobicContact CZ-CG2 4.47Å; Q525-T528 WeakPolarHBondContact O-CB 3.39Å; Q525-T528 PolarHBondContact O-N 3.2Å; Q525-T528 PolarHBondContact O-OG1 2.88Å; P526-T528 PolarHBondContact O-N 3.28Å; T528-T810 HydrophobicContact CG2-CG2 4.23Å; T528-A851 HydrophobicContact CG2-CB 3.32Å
529	I	91.9	Very high	86.8	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-102.7	122.1	-178.7	-59.5	-58.3	0	0	0	109.2	I480 A852 I855 S856 H859 F892	I480-I529 HydrophobicContact CG2-CD1 4.37Å; I480-I529 HydrophobicContact CG2-CG1 4.2Å; I529-A852 PolarHBondContact O-N 3.32Å; I529-I855 HydrophobicContact CB-CG2 4.06Å; I529-I855 HydrophobicContact CG1-CG2 4.26Å; I529-I855 HydrophobicContact CG2-CG2 3.83Å; I529-S856 PolarHBondContact N-OG 2.99Å; I529-H859 HydrophobicContact CG1-CB 4.38Å; I529-F892 HydrophobicContact CB-CZ 4.45Å; I529-F892 HydrophobicContact CD1-CE2 4.12Å; I529-F892 HydrophobicContact CD1-CZ 4.47Å; I529-F892 HydrophobicContact CG2-CE1 4.29Å; I529-F892 HydrophobicContact CG2-CE2 4.29Å; I529-F892 HydrophobicContact CG2-CZ 3.57Å
530	L	91.7	Very high	86.4	Confident	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	135.8	172.3	-59.9	-172.2	0	0	0	111.2	F519 V834 L837 V850 A851 F892	F519-L530 HydrophobicContact CB-CD1 3.48Å; F519-L530 VanDerWaalsContact CB-CD1 3.48Å; F519-L530 HydrophobicContact CB-CG 4Å; F519-L530 HydrophobicContact CD1-CD1 4.17Å; F519-L530 HydrophobicContact CD1-CD2 4.15Å; F519-L530 HydrophobicContact CD1-CG 3.79Å; F519-L530 HydrophobicContact CD2-CD1 3.84Å; F519-L530 HydrophobicContact CD2-CD2 4.23Å; F519-L530 HydrophobicContact CD2-CG 4.19Å; F519-L530 HydrophobicContact CE1-CD2 4.21Å; F519-L530 HydrophobicContact CE1-CG 4.34Å; F519-L530 HydrophobicContact CE2-CD2 4.28Å; F519-L530 HydrophobicContact CG-CD1 3.56Å; F519-L530 HydrophobicContact CG-CD2 4.17Å; F519-L530 HydrophobicContact CG-CG 3.71Å; F519-L530 HydrophobicContact CZ-CD2 4.28Å; L530-V834 HydrophobicContact CD2-CG2 4.22Å; L530-L837 HydrophobicContact CD1-CD1 4.08Å; L530-V850 WeakPolarHBondContact CA-O 3.42Å; L530-A851 HydrophobicContact CD2-CB 4.38Å; L530-F892 WeakPolarHBondContact O-CE1 3.16Å; L530-F892 WeakPolarHBondContact O-CZ 3.49Å
531	S	89.3	Confident	86	Confident	2 Å²	2	22.9 Å²	22.9	1%	0.014	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	179.1	165.3	72.5	0	0	0	0	111.2	N487 V850 A852	N487-S531 PolarHBondContact ND2-OG 3.35Å; S531-V850 PolarHBondContact N-O 3.33Å; S531-V850 PolarHBondContact O-N 2.99Å; S531-A852 VanDerWaalsContact OG-CB 3.27Å; S531-A852 WeakPolarHBondContact OG-CB 3.14Å
532	S	84.9	Confident	85.5	Confident	13 Å²	13	22 Å²	22	9%	0.091	12%	0.115	C	C	.	.			trans	-69.6	142.5	172.4	-165.2	0	0	0	0	110.1
533	T	82.9	Confident	85.3	Confident	16 Å²	16	19.3 Å²	19.3	10%	0.098	10%	0.1	C	C	.	.			trans	-117.9	153.7	-179.9	73.2	0	0	0	0	111.3	V536 L537 D806 V850	T533-V536 PolarHBondContact O-N 3.46Å; T533-V536 WeakPolarHBondContact OG1-CG2 3.49Å; T533-L537 PolarHBondContact O-N 3.46Å; T533-D806 PolarHBondContact OG1-OD2 2.98Å; T533-V850 HydrophobicContact CG2-CB 4.31Å
534	G	77.8	Confident	85.1	Confident	17 Å²	17	20 Å²	20	18%	0.175	10%	0.103	C	C	.	.	H	α-helix	trans	-55.1	-44.2	179	0	0	0	0	0	114.7	V536 L537 V538	G534-V536 PolarHBondContact O-N 3.4Å; G534-L537 PolarHBondContact O-N 3.22Å; G534-V538 WeakPolarHBondContact O-CG2 3.39Å; G534-V538 PolarHBondContact O-N 2.9Å
535	P	77.1	Confident	85	Confident	22 Å²	22	23.6 Å²	23.6	14%	0.143	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-41.5	175.7	-27.2	36.9	0	0	0	113.7	V538 F539 I600 L802	P535-V538 PolarHBondContact O-N 3Å; P535-F539 PolarHBondContact O-N 2.92Å; P535-I600 HydrophobicContact CG-CD1 4.25Å; P535-L802 HydrophobicContact CB-CD1 3.49Å; P535-L802 VanDerWaalsContact CB-CD1 3.49Å; P535-L802 HydrophobicContact CB-CD2 3.93Å; P535-L802 HydrophobicContact CB-CG 4.25Å; P535-L802 HydrophobicContact CG-CD1 4.38Å
536	V	82.8	Confident	84.7	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.024	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-48.4	175.5	175.3	0	0	0	0	109.9	T533 G534 V538 F539 E540 L802 W848 V850	T533-V536 PolarHBondContact O-N 3.46Å; T533-V536 WeakPolarHBondContact OG1-CG2 3.49Å; G534-V536 PolarHBondContact O-N 3.4Å; V536-V538 VanDerWaalsContact C-N 3.28Å; V536-V538 PolarHBondContact O-N 3.43Å; V536-F539 WeakPolarHBondContact O-CB 3.48Å; V536-F539 PolarHBondContact O-N 3.37Å; V536-F539 VanDerWaalsContact O-N 3.08Å; V536-E540 HydrophobicContact CG1-CG 4.09Å; V536-E540 WeakPolarHBondContact O-CG 3.35Å; V536-E540 PolarHBondContact O-N 3.27Å; V536-L802 HydrophobicContact CG2-CD2 4.01Å; V536-W848 HydrophobicContact CG1-CB 4.08Å; V536-V850 HydrophobicContact CG2-CG2 4.14Å
537	L	81.6	Confident	84.3	Confident	24 Å²	24	29.6 Å²	29.6	13%	0.126	15%	0.149	C	C	.	.	H	α-helix	trans	-55	-39.8	175.4	174.8	67.5	0	0	0	113	F491 L494 L495 T533 G534 E540 R541	F491-L537 HydrophobicContact CD1-CB 4.48Å; F491-L537 HydrophobicContact CD1-CD2 4Å; F491-L537 HydrophobicContact CE1-CD2 4.21Å; L494-L537 HydrophobicContact CB-CD1 4.49Å; L494-L537 HydrophobicContact CB-CD2 3.8Å; L494-L537 HydrophobicContact CD1-CD2 4.19Å; L495-L537 HydrophobicContact CB-CD1 4Å; L495-L537 HydrophobicContact CD1-CD1 3.7Å; L495-L537 HydrophobicContact CG-CD1 4.46Å; T533-L537 PolarHBondContact O-N 3.46Å; G534-L537 PolarHBondContact O-N 3.22Å; L537-E540 PolarHBondContact O-N 3.33Å; L537-R541 WeakPolarHBondContact O-CB 3.49Å; L537-R541 PolarHBondContact O-N 2.73Å
538	V	79.3	Confident	83.9	Confident	66 Å²	66	34.3 Å²	34.3	40%	0.4	17%	0.169	S	C	.	.	H	α-helix	trans	-66.7	-43.1	177.1	171.3	0	0	0	0	111.2	G534 P535 V536 R541 L542	G534-V538 WeakPolarHBondContact O-CG2 3.39Å; G534-V538 PolarHBondContact O-N 2.9Å; P535-V538 PolarHBondContact O-N 3Å; V536-V538 VanDerWaalsContact C-N 3.28Å; V536-V538 PolarHBondContact O-N 3.43Å; V538-R541 PolarHBondContact O-N 3.18Å; V538-L542 HydrophobicContact CG1-CD1 3.94Å; V538-L542 VanDerWaalsContact O-CG 3.3Å; V538-L542 WeakPolarHBondContact O-CG 3.44Å; V538-L542 PolarHBondContact O-N 2.94Å; V538-L542 VanDerWaalsContact O-N 3.08Å
539	F	83.1	Confident	83.2	Confident	26 Å²	26	37.8 Å²	37.8	11%	0.114	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-46.6	174.6	179.9	-87.8	0	0	0	111.4	P535 V536 R541 L542 L543 I565 P795 V799 W848	P535-F539 PolarHBondContact O-N 2.92Å; V536-F539 WeakPolarHBondContact O-CB 3.48Å; V536-F539 PolarHBondContact O-N 3.37Å; V536-F539 VanDerWaalsContact O-N 3.08Å; F539-R541 PolarHBondContact O-N 3.44Å; F539-L542 CarbonylContact O-C 3.56Å; F539-L542 PolarHBondContact O-N 3Å; F539-L542 VanDerWaalsContact O-N 3.08Å; F539-L543 HydrophobicContact CE1-CB 4.25Å; F539-L543 HydrophobicContact CE1-CD1 4.19Å; F539-L543 HydrophobicContact CE1-CD2 4.36Å; F539-L543 HydrophobicContact CZ-CD1 4.23Å; F539-L543 WeakPolarHBondContact O-CB 3.47Å; F539-L543 PolarHBondContact O-N 3.32Å; F539-I565 HydrophobicContact CE1-CG2 4.44Å; F539-I565 HydrophobicContact CZ-CG2 4.45Å; F539-P795 HydrophobicContact CE2-CB 4.47Å; F539-P795 HydrophobicContact CZ-CB 4.06Å; F539-V799 HydrophobicContact CD1-CG2 3.67Å; F539-V799 HydrophobicContact CD2-CG2 3.82Å; F539-V799 HydrophobicContact CE1-CG2 3.3Å; F539-V799 HydrophobicContact CE2-CG2 3.46Å; F539-V799 VanDerWaalsContact CE2-CG2 3.46Å; F539-V799 HydrophobicContact CG-CG2 3.92Å; F539-V799 HydrophobicContact CZ-CG2 3.19Å; F539-W848 AromaticContact CD1-CZ3 3.92Å; F539-W848 HydrophobicContact CD1-CZ3 3.92Å; F539-W848 HydrophobicContact CE1-CH2 4.34Å; F539-W848 AromaticContact CE1-CZ3 3.82Å; F539-W848 HydrophobicContact CE1-CZ3 3.82Å
540	E	85.8	Confident	82.2	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-43.8	179.9	-63.9	-83	-137.7	0	0	112.1	L495 V536 L537 L542 L543 F544 R562 W848	L495-E540 HydrophobicContact CD1-CB 3.98Å; L495-E540 HydrophobicContact CD1-CG 4.46Å; V536-E540 HydrophobicContact CG1-CG 4.09Å; V536-E540 WeakPolarHBondContact O-CG 3.35Å; V536-E540 PolarHBondContact O-N 3.27Å; L537-E540 PolarHBondContact O-N 3.33Å; E540-L542 VanDerWaalsContact C-N 3.32Å; E540-L542 PolarHBondContact O-N 2.92Å; E540-L543 WeakPolarHBondContact O-CB 3.38Å; E540-L543 PolarHBondContact O-N 3.06Å; E540-F544 WeakPolarHBondContact O-CB 3.42Å; E540-F544 PolarHBondContact O-N 2.63Å; E540-R562 IonicContact OE1-CZ 2.72Å; E540-R562 IonicContact OE1-NH1 3.65Å; E540-R562 PolarHBondContact OE1-NH1 3.44Å; E540-R562 IonicContact OE1-NH2 3.74Å; E540-R562 PolarHBondContact OE1-NH2 3.02Å; E540-R562 IonicContact OE2-CZ 2.74Å; E540-R562 IonicContact OE2-NH1 2.78Å; E540-R562 PolarHBondContact OE2-NH1 2.71Å; E540-R562 IonicContact OE2-NH2 3.18Å; E540-W848 HydrophobicContact CG-CE3 4.48Å; E540-W848 WeakPolarHBondContact OE2-CZ3 3.12Å
541	R	82.9	Confident	80.7	Confident	143 Å²	143	42.4 Å²	42.4	54%	0.54	22%	0.22	S	C	.	.	H	α-helix	trans	-62.8	-38	174.3	-177.1	176.7	177.5	-177.9	-0.2	112.4	A498 L537 V538 F539 N545	A498-R541 HydrophobicContact CB-CB 4.08Å; A498-R541 HydrophobicContact CB-CG 4.05Å; L537-R541 WeakPolarHBondContact O-CB 3.49Å; L537-R541 PolarHBondContact O-N 2.73Å; V538-R541 PolarHBondContact O-N 3.18Å; F539-R541 PolarHBondContact O-N 3.44Å; R541-N545 PolarHBondContact O-N 3Å; R541-N545 PolarHBondContact O-ND2 3.36Å
542	L	81.6	Confident	79.3	Confident	51 Å²	51	53.1 Å²	53.1	27%	0.267	26%	0.26	S	S	.	.	H	α-helix	trans	-72.4	-35.1	177.2	-70.1	167.6	0	0	0	111.3	V538 F539 E540 N545 F546 I982	V538-L542 HydrophobicContact CG1-CD1 3.94Å; V538-L542 VanDerWaalsContact O-CG 3.3Å; V538-L542 WeakPolarHBondContact O-CG 3.44Å; V538-L542 PolarHBondContact O-N 2.94Å; V538-L542 VanDerWaalsContact O-N 3.08Å; F539-L542 CarbonylContact O-C 3.56Å; F539-L542 PolarHBondContact O-N 3Å; F539-L542 VanDerWaalsContact O-N 3.08Å; E540-L542 VanDerWaalsContact C-N 3.32Å; E540-L542 PolarHBondContact O-N 2.92Å; L542-N545 WeakPolarHBondContact O-CA 3.38Å; L542-N545 PolarHBondContact O-N 3.06Å; L542-F546 VanDerWaalsContact O-CB 3.32Å; L542-F546 WeakPolarHBondContact O-CB 3.2Å; L542-F546 PolarHBondContact O-N 2.94Å; L542-I982 HydrophobicContact CD1-CD1 4.38Å; L542-I982 HydrophobicContact CD1-CG1 3.68Å
543	L	85.1	Confident	78.2	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-46	172.3	-167.9	75	0	0	0	111.4	F539 E540 F546 S547 Y558 F561 R562 I565 W848	F539-L543 HydrophobicContact CE1-CB 4.25Å; F539-L543 HydrophobicContact CE1-CD1 4.19Å; F539-L543 HydrophobicContact CE1-CD2 4.36Å; F539-L543 HydrophobicContact CZ-CD1 4.23Å; F539-L543 WeakPolarHBondContact O-CB 3.47Å; F539-L543 PolarHBondContact O-N 3.32Å; E540-L543 WeakPolarHBondContact O-CB 3.38Å; E540-L543 PolarHBondContact O-N 3.06Å; L543-F546 PolarHBondContact O-N 3.47Å; L543-S547 VanDerWaalsContact O-CB 3.25Å; L543-S547 WeakPolarHBondContact O-CB 3.33Å; L543-S547 PolarHBondContact O-N 3.44Å; L543-Y558 HydrophobicContact CB-CE2 4.27Å; L543-Y558 HydrophobicContact CD2-CD2 4.47Å; L543-Y558 HydrophobicContact CD2-CE2 3.86Å; L543-Y558 HydrophobicContact CG-CD2 4.47Å; L543-Y558 HydrophobicContact CG-CE2 4.05Å; L543-F561 HydrophobicContact CD1-CD1 3.77Å; L543-F561 HydrophobicContact CD1-CE1 3.45Å; L543-F561 VanDerWaalsContact CD1-CE1 3.45Å; L543-F561 HydrophobicContact CD1-CZ 4.36Å; L543-F561 HydrophobicContact CG-CD1 4.28Å; L543-F561 HydrophobicContact CG-CE1 4.37Å; L543-R562 HydrophobicContact CD2-CB 4.1Å; L543-R562 HydrophobicContact CD2-CG 4.49Å; L543-I565 HydrophobicContact CD1-CD1 3.28Å; L543-I565 HydrophobicContact CD2-CD1 4.21Å; L543-I565 HydrophobicContact CG-CD1 4.38Å; L543-W848 HydrophobicContact CD2-CH2 4.42Å
544	F	86.3	Confident	77.2	Confident	16 Å²	16	63.1 Å²	63.1	7%	0.07	31%	0.312	C	S	.	.	H	α-helix	trans	-65.1	-45.5	174.5	-172.5	-102.5	0	0	0	111.7	A498 T499 D500 M502 E540 F546 S547 K548 Y558	A498-F544 VanDerWaalsContact O-CD1 3.28Å; A498-F544 WeakPolarHBondContact O-CD1 3.15Å; T499-F544 VanDerWaalsContact C-CZ 3.44Å; T499-F544 HydrophobicContact CG2-CB 4.35Å; T499-F544 HydrophobicContact CG2-CD2 4.45Å; T499-F544 HydrophobicContact CG2-CG 4.33Å; T499-F544 WeakPolarHBondContact O-CE2 3.44Å; T499-F544 VanDerWaalsContact O-CZ 3.31Å; T499-F544 WeakPolarHBondContact O-CZ 3.48Å; D500-F544 HydrophobicContact CB-CE1 4.27Å; D500-F544 HydrophobicContact CB-CZ 3.92Å; D500-F544 WeakPolarHBondContact OD2-CE1 3.23Å; D500-F544 WeakPolarHBondContact OD2-CZ 3.5Å; M502-F544 HydrophobicContact CG-CE2 4.15Å; E540-F544 WeakPolarHBondContact O-CB 3.42Å; E540-F544 PolarHBondContact O-N 2.63Å; F544-F546 PolarHBondContact O-N 3.19Å; F544-S547 PolarHBondContact O-N 2.9Å; F544-K548 HydrophobicContact CE1-CD 4.06Å; F544-K548 HydrophobicContact CZ-CD 4.42Å; F544-K548 WeakPolarHBondContact O-CB 3.38Å; F544-K548 PolarHBondContact O-N 3.39Å; F544-Y558 HydrophobicContact CB-CD2 4.24Å; F544-Y558 HydrophobicContact CB-CE2 3.83Å; F544-Y558 HydrophobicContact CD2-CD1 4.02Å; F544-Y558 AromaticContact CD2-CD2 3.92Å; F544-Y558 HydrophobicContact CD2-CD2 3.92Å; F544-Y558 HydrophobicContact CD2-CE1 4.14Å; F544-Y558 HydrophobicContact CD2-CE2 4.04Å; F544-Y558 AromaticContact CD2-CG 3.91Å; F544-Y558 HydrophobicContact CD2-CG 3.91Å; F544-Y558 HydrophobicContact CE2-CD1 4.5Å; F544-Y558 HydrophobicContact CG-CE2 4.46Å
545	N	83.4	Confident	76.7	Confident	76 Å²	76	64.4 Å²	64.4	41%	0.406	33%	0.325	S	S	.	.	H	α-helix	trans	-33.2	-67.5	160.4	65.3	-121.8	0	0	0	114.3	R541 L542 K548 S549	R541-N545 PolarHBondContact O-N 3Å; R541-N545 PolarHBondContact O-ND2 3.36Å; L542-N545 WeakPolarHBondContact O-CA 3.38Å; L542-N545 PolarHBondContact O-N 3.06Å; N545-K548 PolarHBondContact O-N 3.26Å; N545-S549 PolarHBondContact O-N 3.15Å
546	F	82.5	Confident	76.7	Confident	130 Å²	130	64.1 Å²	64.1	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-65.5	-46.8	-175.7	177.7	-96.8	0	0	0	111.1	L542 L543 F544 K548 S549 A550 F561	L542-F546 VanDerWaalsContact O-CB 3.32Å; L542-F546 WeakPolarHBondContact O-CB 3.2Å; L542-F546 PolarHBondContact O-N 2.94Å; L543-F546 PolarHBondContact O-N 3.47Å; F544-F546 PolarHBondContact O-N 3.19Å; F546-K548 VanDerWaalsContact C-N 3.33Å; F546-K548 PolarHBondContact O-N 3.5Å; F546-S549 PolarHBondContact O-N 3.15Å; F546-A550 WeakPolarHBondContact O-CB 3.24Å; F546-A550 PolarHBondContact O-N 3.11Å; F546-F561 AromaticContact CD1-CE1 3.81Å; F546-F561 HydrophobicContact CD1-CE1 3.81Å; F546-F561 HydrophobicContact CD1-CZ 4.3Å; F546-F561 AromaticContact CE1-CE1 4Å; F546-F561 HydrophobicContact CE1-CE1 4Å; F546-F561 HydrophobicContact CE1-CZ 4.05Å
547	S	81.1	Confident	76.7	Confident	4 Å²	4	67.8 Å²	67.8	3%	0.028	34%	0.341	C	S	.	.	H	α-helix	trans	-58.7	-43.5	176.2	-169	0	0	0	0	111.3	L543 F544 A550 L551 F556 Y558	L543-S547 VanDerWaalsContact O-CB 3.25Å; L543-S547 WeakPolarHBondContact O-CB 3.33Å; L543-S547 PolarHBondContact O-N 3.44Å; F544-S547 PolarHBondContact O-N 2.9Å; S547-A550 PolarHBondContact O-N 2.9Å; S547-L551 WeakPolarHBondContact O-CA 3.35Å; S547-L551 WeakPolarHBondContact O-CB 3.34Å; S547-L551 PolarHBondContact O-N 2.94Å; S547-F556 PolarHBondContact OG-O 3.2Å; S547-Y558 VanDerWaalsContact OG-CA 3.25Å; S547-Y558 WeakPolarHBondContact OG-CA 3.45Å; S547-Y558 WeakPolarHBondContact OG-CB 3.25Å; S547-Y558 PolarHBondContact OG-N 3.2Å
548	K	80.6	Confident	76.8	Confident	100 Å²	100	67.2 Å²	67.2	44%	0.435	34%	0.337	S	S	.	.	H	α-helix	trans	-71	-35.1	-179.7	-170.3	171.6	-175.6	174.3	0	112.8	D500 F544 N545 F546 R552	D500-K548 IonicContact OD2-NZ 3.9Å; D500-K548 PolarHBondContact OD2-NZ 3.4Å; F544-K548 HydrophobicContact CE1-CD 4.06Å; F544-K548 HydrophobicContact CZ-CD 4.42Å; F544-K548 WeakPolarHBondContact O-CB 3.38Å; F544-K548 PolarHBondContact O-N 3.39Å; N545-K548 PolarHBondContact O-N 3.26Å; F546-K548 VanDerWaalsContact C-N 3.33Å; F546-K548 PolarHBondContact O-N 3.5Å; K548-R552 PolarHBondContact O-N 3.45Å
549	S	76.4	Confident	77.2	Confident	74 Å²	74	65.2 Å²	65.2	52%	0.517	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-51.1	171.5	-166.7	0	0	0	0	110.5	N545 F546 L551 R552	N545-S549 PolarHBondContact O-N 3.15Å; F546-S549 PolarHBondContact O-N 3.15Å; S549-L551 VanDerWaalsContact C-N 3.34Å; S549-L551 PolarHBondContact O-N 2.76Å; S549-R552 WeakPolarHBondContact O-CB 3.29Å; S549-R552 PolarHBondContact O-N 3.1Å; S549-R552 VanDerWaalsContact O-N 3.09Å
550	A	70.8	Confident	77.4	Confident	13 Å²	13	64.5 Å²	64.5	11%	0.107	32%	0.321	C	S	.	.	H	α-helix	trans	-75.4	-21.2	-176.5	0	0	0	0	0	112.9	F546 S547 R552 D553 N554 F556	F546-A550 WeakPolarHBondContact O-CB 3.24Å; F546-A550 PolarHBondContact O-N 3.11Å; S547-A550 PolarHBondContact O-N 2.9Å; A550-R552 VanDerWaalsContact C-N 3.31Å; A550-D553 PolarHBondContact O-N 3.28Å; A550-N554 WeakPolarHBondContact O-CA 3.44Å; A550-N554 WeakPolarHBondContact O-CB 3.47Å; A550-N554 PolarHBondContact O-N 3.35Å; A550-F556 HydrophobicContact CB-CD2 3.46Å; A550-F556 VanDerWaalsContact CB-CD2 3.46Å; A550-F556 HydrophobicContact CB-CE2 3.73Å; A550-F556 WeakPolarHBondContact O-CD2 3.31Å
551	L	59.5	Low	77.5	Confident	85 Å²	85	65 Å²	65	45%	0.445	32%	0.324	S	S	.	.	H	α-helix	trans	-63.3	-36.6	165.8	173.4	81.1	0	0	0	111	S547 S549 D553 G555 F556	S547-L551 WeakPolarHBondContact O-CA 3.35Å; S547-L551 WeakPolarHBondContact O-CB 3.34Å; S547-L551 PolarHBondContact O-N 2.94Å; S549-L551 VanDerWaalsContact C-N 3.34Å; S549-L551 PolarHBondContact O-N 2.76Å; L551-D553 VanDerWaalsContact C-N 3.26Å; L551-D553 PolarHBondContact O-N 3.06Å; L551-G555 WeakPolarHBondContact O-CA 3.5Å; L551-G555 PolarHBondContact O-N 3.21Å; L551-F556 WeakPolarHBondContact CD1-O 3.08Å
552	R	59.8	Low	77.8	Confident	227 Å²	227	58.2 Å²	58.2	86%	0.857	30%	0.298	S	S	*	.	H	α-helix	trans	-67.9	-27.3	178.7	-147.4	178	-161.4	178.1	4.6	112.9	K548 S549 A550	K548-R552 PolarHBondContact O-N 3.45Å; S549-R552 WeakPolarHBondContact O-CB 3.29Å; S549-R552 PolarHBondContact O-N 3.1Å; S549-R552 VanDerWaalsContact O-N 3.09Å; A550-R552 VanDerWaalsContact C-N 3.31Å
553	D	62	Low	78.2	Confident	126 Å²	126	55.8 Å²	55.8	67%	0.674	29%	0.285	S	S	*	.	H	α-helix	trans	-99.5	-37.3	-179.2	-57.3	-35	0	0	0	112.9	A550 L551	A550-D553 PolarHBondContact O-N 3.28Å; L551-D553 VanDerWaalsContact C-N 3.26Å; L551-D553 PolarHBondContact O-N 3.06Å
554	N	61.8	Low	78.5	Confident	112 Å²	112	57.6 Å²	57.6	60%	0.599	29%	0.291	S	S	*	.	H	α-helix	trans	-134.7	-3.3	-168.4	-77	-25.8	0	0	0	115.8	A550 F556	A550-N554 WeakPolarHBondContact O-CA 3.44Å; A550-N554 WeakPolarHBondContact O-CB 3.47Å; A550-N554 PolarHBondContact O-N 3.35Å; N554-F556 HydrophobicContact CB-CD2 4.03Å; N554-F556 HydrophobicContact CB-CE1 4.26Å; N554-F556 HydrophobicContact CB-CE2 3.47Å; N554-F556 VanDerWaalsContact CB-CE2 3.47Å; N554-F556 HydrophobicContact CB-CZ 3.59Å
555	G	67.4	Low	78.8	Confident	44 Å²	44	56.8 Å²	56.8	45%	0.454	29%	0.288	S	S	.	.			trans	77.1	29.4	175.4	0	0	0	0	0	117.4	L551	L551-G555 WeakPolarHBondContact O-CA 3.5Å; L551-G555 PolarHBondContact O-N 3.21Å
556	F	76.2	Confident	79.3	Confident	17 Å²	17	53.2 Å²	53.2	8%	0.075	27%	0.269	C	S	.	.			trans	-73.7	131.6	-177.8	-58.9	-61.4	0	0	0	116.2	S547 A550 L551 N554 N784 P785 W787 V788	S547-F556 PolarHBondContact OG-O 3.2Å; A550-F556 HydrophobicContact CB-CD2 3.46Å; A550-F556 VanDerWaalsContact CB-CD2 3.46Å; A550-F556 HydrophobicContact CB-CE2 3.73Å; A550-F556 WeakPolarHBondContact O-CD2 3.31Å; L551-F556 WeakPolarHBondContact CD1-O 3.08Å; N554-F556 HydrophobicContact CB-CD2 4.03Å; N554-F556 HydrophobicContact CB-CE1 4.26Å; N554-F556 HydrophobicContact CB-CE2 3.47Å; N554-F556 VanDerWaalsContact CB-CE2 3.47Å; N554-F556 HydrophobicContact CB-CZ 3.59Å; F556-N784 VanDerWaalsContact CA-OD1 3.22Å; F556-N784 WeakPolarHBondContact CA-OD1 3.49Å; F556-N784 WeakPolarHBondContact CB-OD1 3.47Å; F556-N784 WeakPolarHBondContact CD1-OD1 3.22Å; F556-P785 HydrophobicContact CD1-CG 4.46Å; F556-P785 HydrophobicContact CE1-CG 3.77Å; F556-W787 HydrophobicContact CE1-CH2 4.1Å; F556-W787 AromaticContact CE1-CZ2 3.91Å; F556-W787 HydrophobicContact CE1-CZ2 3.91Å; F556-W787 HydrophobicContact CE2-CH2 4.43Å; F556-W787 AromaticContact CZ-CH2 3.52Å; F556-W787 HydrophobicContact CZ-CH2 3.52Å; F556-W787 AromaticContact CZ-CZ2 3.55Å; F556-W787 HydrophobicContact CZ-CZ2 3.55Å; F556-V788 HydrophobicContact CD1-CG2 3.9Å; F556-V788 HydrophobicContact CE1-CG2 3.41Å; F556-V788 VanDerWaalsContact CE1-CG2 3.41Å; F556-V788 HydrophobicContact CZ-CG2 4.16Å
557	D	82.8	Confident	79.8	Confident	81 Å²	81	48.8 Å²	48.8	43%	0.433	25%	0.251	S	S	.	.			trans	-79.3	119.4	172.5	-89	-44.7	0	0	0	112.8	L559 E560 F561 N784	D557-L559 PolarHBondContact O-N 3.27Å; D557-E560 HydrophobicContact CB-CB 4.47Å; D557-E560 HydrophobicContact CB-CG 4.39Å; D557-F561 WeakPolarHBondContact O-CB 3.45Å; D557-F561 PolarHBondContact O-N 3.24Å; D557-N784 PolarHBondContact N-OD1 3.36Å; D557-N784 PolarHBondContact O-ND2 3Å
558	Y	85.7	Confident	80.5	Confident	12 Å²	12	52 Å²	52	5%	0.047	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-44	-179.4	168	-109.6	0	0	0	113.4	L543 F544 S547 F561 R562	L543-Y558 HydrophobicContact CB-CE2 4.27Å; L543-Y558 HydrophobicContact CD2-CD2 4.47Å; L543-Y558 HydrophobicContact CD2-CE2 3.86Å; L543-Y558 HydrophobicContact CG-CD2 4.47Å; L543-Y558 HydrophobicContact CG-CE2 4.05Å; F544-Y558 HydrophobicContact CB-CD2 4.24Å; F544-Y558 HydrophobicContact CB-CE2 3.83Å; F544-Y558 HydrophobicContact CD2-CD1 4.02Å; F544-Y558 AromaticContact CD2-CD2 3.92Å; F544-Y558 HydrophobicContact CD2-CD2 3.92Å; F544-Y558 HydrophobicContact CD2-CE1 4.14Å; F544-Y558 HydrophobicContact CD2-CE2 4.04Å; F544-Y558 AromaticContact CD2-CG 3.91Å; F544-Y558 HydrophobicContact CD2-CG 3.91Å; F544-Y558 HydrophobicContact CE2-CD1 4.5Å; F544-Y558 HydrophobicContact CG-CE2 4.46Å; S547-Y558 VanDerWaalsContact OG-CA 3.25Å; S547-Y558 WeakPolarHBondContact OG-CA 3.45Å; S547-Y558 WeakPolarHBondContact OG-CB 3.25Å; S547-Y558 PolarHBondContact OG-N 3.2Å; Y558-F561 PolarHBondContact O-N 3.26Å; Y558-R562 VanDerWaalsContact O-CB 3.27Å; Y558-R562 WeakPolarHBondContact O-CB 3.14Å; Y558-R562 PolarHBondContact O-N 3.24Å; Y558-R562 PolarHBondContact OH-NH1 2.88Å
559	L	86.1	Confident	81.1	Confident	24 Å²	24	47.3 Å²	47.3	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-69.3	-39.4	-173.5	-68.2	178.5	0	0	0	112.4	M502 D557 R562 L563 R774 I778	M502-L559 HydrophobicContact CE-CD1 3.79Å; M502-L559 HydrophobicContact CE-CG 4.01Å; D557-L559 PolarHBondContact O-N 3.27Å; L559-R562 WeakPolarHBondContact O-CB 3.3Å; L559-L563 PolarHBondContact O-N 3.21Å; L559-R774 HydrophobicContact CD1-CB 4.17Å; L559-I778 HydrophobicContact CB-CD1 3.96Å; L559-I778 HydrophobicContact CB-CG1 4.32Å; L559-I778 HydrophobicContact CB-CG2 4.25Å; L559-I778 HydrophobicContact CD2-CD1 4.25Å
560	E	87.4	Confident	81.9	Confident	10 Å²	10	43.8 Å²	43.8	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-68.4	-43.4	174.1	-67.2	-169.6	170.2	0	0	111.3	D557 R562 L563 W564 I778 G782 G783 N784	D557-E560 HydrophobicContact CB-CB 4.47Å; D557-E560 HydrophobicContact CB-CG 4.39Å; E560-R562 VanDerWaalsContact C-N 3.32Å; E560-R562 PolarHBondContact O-N 3.45Å; E560-L563 WeakPolarHBondContact O-CB 3.11Å; E560-L563 PolarHBondContact O-N 3.12Å; E560-L563 VanDerWaalsContact O-N 3.12Å; E560-W564 VanDerWaalsContact O-CD1 3.31Å; E560-W564 PolarHBondContact O-N 3.37Å; E560-W564 VanDerWaalsContact O-N 3.09Å; E560-I778 HydrophobicContact CG-CG2 4.46Å; E560-G782 VanDerWaalsContact OE1-CA 3.3Å; E560-G782 WeakPolarHBondContact OE1-CA 3.14Å; E560-G782 PolarHBondContact OE1-N 2.99Å; E560-G782 VanDerWaalsContact OE1-N 3.11Å; E560-G783 PolarHBondContact OE1-N 3.41Å; E560-G783 WeakPolarHBondContact OE2-CA 3.47Å; E560-G783 PolarHBondContact OE2-N 3.46Å; E560-N784 WeakPolarHBondContact CB-ND2 3.47Å; E560-N784 PolarHBondContact OE2-N 3.29Å
561	F	87.6	Confident	83	Confident	13 Å²	13	47.1 Å²	47.1	6%	0.057	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-42.3	178.6	-176.4	-131.8	0	0	0	111.6	L543 F546 D557 Y558 W564 I565 V788 A792 P795	L543-F561 HydrophobicContact CD1-CD1 3.77Å; L543-F561 HydrophobicContact CD1-CE1 3.45Å; L543-F561 VanDerWaalsContact CD1-CE1 3.45Å; L543-F561 HydrophobicContact CD1-CZ 4.36Å; L543-F561 HydrophobicContact CG-CD1 4.28Å; L543-F561 HydrophobicContact CG-CE1 4.37Å; F546-F561 AromaticContact CD1-CE1 3.81Å; F546-F561 HydrophobicContact CD1-CE1 3.81Å; F546-F561 HydrophobicContact CD1-CZ 4.3Å; F546-F561 AromaticContact CE1-CE1 4Å; F546-F561 HydrophobicContact CE1-CE1 4Å; F546-F561 HydrophobicContact CE1-CZ 4.05Å; D557-F561 WeakPolarHBondContact O-CB 3.45Å; D557-F561 PolarHBondContact O-N 3.24Å; Y558-F561 PolarHBondContact O-N 3.26Å; F561-W564 PolarHBondContact O-N 2.96Å; F561-I565 HydrophobicContact CD1-CD1 4.1Å; F561-I565 HydrophobicContact CD2-CD1 4.25Å; F561-I565 HydrophobicContact CE1-CD1 3.83Å; F561-I565 HydrophobicContact CE2-CD1 3.99Å; F561-I565 HydrophobicContact CE2-CG1 4.43Å; F561-I565 HydrophobicContact CG-CD1 4.31Å; F561-I565 HydrophobicContact CZ-CD1 3.78Å; F561-I565 WeakPolarHBondContact O-CG1 3.25Å; F561-I565 PolarHBondContact O-N 2.97Å; F561-I565 VanDerWaalsContact O-N 3.11Å; F561-V788 HydrophobicContact CD2-CG1 3.45Å; F561-V788 VanDerWaalsContact CD2-CG1 3.45Å; F561-V788 HydrophobicContact CE2-CG1 3.83Å; F561-V788 HydrophobicContact CG-CG1 4.39Å; F561-A792 HydrophobicContact CD2-CB 4.33Å; F561-A792 HydrophobicContact CE2-CB 4Å; F561-P795 HydrophobicContact CZ-CG 4.48Å
562	R	90	Very high	84.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.4	-49.5	169.7	176.9	-158.2	-174	68.8	16.5	112	Q503 E540 L543 Y558 L559 E560 W564 I565 G566 L846 W848	Q503-R562 VanDerWaalsContact NE2-NH2 3.14Å; E540-R562 IonicContact OE1-CZ 2.72Å; E540-R562 IonicContact OE1-NH1 3.65Å; E540-R562 PolarHBondContact OE1-NH1 3.44Å; E540-R562 IonicContact OE1-NH2 3.74Å; E540-R562 PolarHBondContact OE1-NH2 3.02Å; E540-R562 IonicContact OE2-CZ 2.74Å; E540-R562 IonicContact OE2-NH1 2.78Å; E540-R562 PolarHBondContact OE2-NH1 2.71Å; E540-R562 IonicContact OE2-NH2 3.18Å; L543-R562 HydrophobicContact CD2-CB 4.1Å; L543-R562 HydrophobicContact CD2-CG 4.49Å; Y558-R562 VanDerWaalsContact O-CB 3.27Å; Y558-R562 WeakPolarHBondContact O-CB 3.14Å; Y558-R562 PolarHBondContact O-N 3.24Å; Y558-R562 PolarHBondContact OH-NH1 2.88Å; L559-R562 WeakPolarHBondContact O-CB 3.3Å; E560-R562 VanDerWaalsContact C-N 3.32Å; E560-R562 PolarHBondContact O-N 3.45Å; R562-W564 VanDerWaalsContact C-N 3.34Å; R562-W564 PolarHBondContact O-N 2.99Å; R562-I565 PolarHBondContact O-N 3.04Å; R562-G566 PolarHBondContact O-N 3.14Å; R562-L846 PolarHBondContact NH2-O 2.88Å; R562-W848 HydrophobicContact CG-CH2 4.01Å; R562-W848 HydrophobicContact CG-CZ2 3.82Å; R562-W848 WeakPolarHBondContact O-CZ2 3.43Å
563	L	90.8	Very high	86.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.9	-47.1	-179.1	178.2	151.8	0	0	0	111.2	L559 E560 I565 G566 L567 I778 P780 F843	L559-L563 PolarHBondContact O-N 3.21Å; E560-L563 WeakPolarHBondContact O-CB 3.11Å; E560-L563 PolarHBondContact O-N 3.12Å; E560-L563 VanDerWaalsContact O-N 3.12Å; L563-I565 PolarHBondContact O-N 3.11Å; L563-G566 PolarHBondContact O-N 3.06Å; L563-L567 HydrophobicContact CD2-CD1 3.64Å; L563-L567 HydrophobicContact CD2-CG 4.21Å; L563-L567 WeakPolarHBondContact O-CG 3.21Å; L563-L567 PolarHBondContact O-N 3.43Å; L563-I778 HydrophobicContact CB-CG2 4.43Å; L563-I778 HydrophobicContact CD1-CB 3.91Å; L563-I778 HydrophobicContact CD1-CG2 3.88Å; L563-P780 HydrophobicContact CD2-CB 4.09Å; L563-F843 HydrophobicContact CD1-CD1 3.94Å; L563-F843 HydrophobicContact CD1-CE1 4.34Å
564	W	91.5	Very high	87.7	Confident	45 Å²	45	31.6 Å²	31.6	17%	0.17	17%	0.165	C	C	.	.	H	α-helix	trans	-66.3	-37.1	179.3	-78.5	98.1	0	0	0	113.5	E560 F561 R562 G566 L567 W568 P780 F781 Y789 A792	E560-W564 VanDerWaalsContact O-CD1 3.31Å; E560-W564 PolarHBondContact O-N 3.37Å; E560-W564 VanDerWaalsContact O-N 3.09Å; F561-W564 PolarHBondContact O-N 2.96Å; R562-W564 VanDerWaalsContact C-N 3.34Å; R562-W564 PolarHBondContact O-N 2.99Å; W564-G566 VanDerWaalsContact C-N 3.34Å; W564-L567 HydrophobicContact CE3-CD1 4.32Å; W564-L567 HydrophobicContact CZ3-CD1 4.42Å; W564-L567 PolarHBondContact O-N 3.25Å; W564-W568 PolarHBondContact O-N 3.3Å; W564-P780 PolarHBondContact NE1-O 3Å; W564-F781 HydrophobicContact CH2-CE1 4.13Å; W564-F781 HydrophobicContact CH2-CZ 4.34Å; W564-F781 HydrophobicContact CZ2-CD1 4.18Å; W564-F781 AromaticContact CZ2-CE1 3.55Å; W564-F781 HydrophobicContact CZ2-CE1 3.55Å; W564-F781 AromaticContact CZ2-CZ 4Å; W564-F781 HydrophobicContact CZ2-CZ 4Å; W564-Y789 HydrophobicContact CB-CD1 4.47Å; W564-Y789 AromaticContact CD1-CD1 3.23Å; W564-Y789 AromaticContact CD1-CE1 3.48Å; W564-Y789 VanDerWaalsContact CD1-CE1 3.48Å; W564-Y789 AromaticContact CD2-CD1 3.8Å; W564-Y789 HydrophobicContact CD2-CD1 3.8Å; W564-Y789 HydrophobicContact CD2-CG 4.03Å; W564-Y789 AromaticContact CE2-CD1 3.62Å; W564-Y789 AromaticContact CE2-CG 3.86Å; W564-Y789 AromaticContact CG-CD1 3.58Å; W564-Y789 HydrophobicContact CG-CD1 3.58Å; W564-Y789 HydrophobicContact CG-CE1 4.27Å; W564-Y789 HydrophobicContact CG-CG 4.25Å; W564-Y789 HydrophobicContact CZ2-CD1 4.45Å; W564-Y789 HydrophobicContact CZ2-CG 4.32Å; W564-Y789 AromaticContact NE1-CD1 3.25Å; W564-Y789 AromaticContact NE1-CE1 3.27Å; W564-Y789 VanDerWaalsContact NE1-CE1 3.27Å; W564-Y789 AromaticContact NE1-CG 3.95Å; W564-A792 HydrophobicContact CB-CB 4.1Å
565	I	92.2	Very high	89.2	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.5	-43.3	172.5	-71.3	169.4	0	0	0	110.9	F539 L543 F561 R562 L563 S569 A792 P795 A796 V799 W848	F539-I565 HydrophobicContact CE1-CG2 4.44Å; F539-I565 HydrophobicContact CZ-CG2 4.45Å; L543-I565 HydrophobicContact CD1-CD1 3.28Å; L543-I565 HydrophobicContact CD2-CD1 4.21Å; L543-I565 HydrophobicContact CG-CD1 4.38Å; F561-I565 HydrophobicContact CD1-CD1 4.1Å; F561-I565 HydrophobicContact CD2-CD1 4.25Å; F561-I565 HydrophobicContact CE1-CD1 3.83Å; F561-I565 HydrophobicContact CE2-CD1 3.99Å; F561-I565 HydrophobicContact CE2-CG1 4.43Å; F561-I565 HydrophobicContact CG-CD1 4.31Å; F561-I565 HydrophobicContact CZ-CD1 3.78Å; F561-I565 WeakPolarHBondContact O-CG1 3.25Å; F561-I565 PolarHBondContact O-N 2.97Å; F561-I565 VanDerWaalsContact O-N 3.11Å; R562-I565 PolarHBondContact O-N 3.04Å; L563-I565 PolarHBondContact O-N 3.11Å; I565-S569 WeakPolarHBondContact O-CB 3.29Å; I565-S569 PolarHBondContact O-N 3.19Å; I565-A792 HydrophobicContact CG1-CB 3.81Å; I565-P795 HydrophobicContact CD1-CB 3.87Å; I565-P795 HydrophobicContact CD1-CG 4.41Å; I565-P795 HydrophobicContact CG1-CB 4.26Å; I565-A796 HydrophobicContact CG2-CB 4.17Å; I565-A796 WeakPolarHBondContact O-CB 3.49Å; I565-V799 HydrophobicContact CG2-CG2 4.25Å; I565-W848 HydrophobicContact CB-CH2 4.32Å; I565-W848 HydrophobicContact CG2-CH2 3.79Å; I565-W848 HydrophobicContact CG2-CZ2 4.35Å
566	G	92.9	Very high	90.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-40.7	177.2	0	0	0	0	0	113.4	R562 L563 W564 S569 G570 S842	R562-G566 PolarHBondContact O-N 3.14Å; L563-G566 PolarHBondContact O-N 3.06Å; W564-G566 VanDerWaalsContact C-N 3.34Å; G566-S569 PolarHBondContact O-N 2.59Å; G566-G570 PolarHBondContact O-N 3.48Å; G566-S842 WeakPolarHBondContact CA-OG 3.18Å
567	L	93.1	Very high	91	Very high	38 Å²	38	29.4 Å²	29.4	20%	0.199	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-49.3	175.6	-70.6	-178.5	0	0	0	112.4	L563 W564 S569 G570 L571 I839 F843	L563-L567 HydrophobicContact CD2-CD1 3.64Å; L563-L567 HydrophobicContact CD2-CG 4.21Å; L563-L567 WeakPolarHBondContact O-CG 3.21Å; L563-L567 PolarHBondContact O-N 3.43Å; W564-L567 HydrophobicContact CE3-CD1 4.32Å; W564-L567 HydrophobicContact CZ3-CD1 4.42Å; W564-L567 PolarHBondContact O-N 3.25Å; L567-S569 VanDerWaalsContact C-N 3.31Å; L567-S569 PolarHBondContact O-N 3.43Å; L567-G570 PolarHBondContact O-N 2.79Å; L567-L571 WeakPolarHBondContact O-CB 3.46Å; L567-L571 PolarHBondContact O-N 3.25Å; L567-I839 HydrophobicContact CD2-CG1 4.49Å; L567-I839 HydrophobicContact CD2-CG2 3.9Å; L567-F843 HydrophobicContact CD1-CZ 4.33Å; L567-F843 HydrophobicContact CD2-CD2 4.47Å; L567-F843 HydrophobicContact CD2-CE2 3.71Å; L567-F843 HydrophobicContact CD2-CZ 3.9Å
568	W	95.4	Very high	91.3	Very high	72 Å²	72	26.3 Å²	26.3	27%	0.273	13%	0.131	S	C	.	.	H	α-helix	trans	-62	-40	175.7	-79.3	117.2	0	0	0	111.8	W564 L571 F572 Y789 A793 A796	W564-W568 PolarHBondContact O-N 3.3Å; W568-L571 HydrophobicContact CE3-CD2 3.92Å; W568-L571 HydrophobicContact CZ3-CD2 3.81Å; W568-L571 PolarHBondContact O-N 3.31Å; W568-F572 HydrophobicContact CB-CE2 4.22Å; W568-F572 HydrophobicContact CE3-CE1 4.27Å; W568-F572 HydrophobicContact CE3-CZ 4.06Å; W568-F572 WeakPolarHBondContact O-CD2 3.19Å; W568-F572 VanDerWaalsContact O-CG 3.27Å; W568-F572 WeakPolarHBondContact O-CG 3.34Å; W568-F572 PolarHBondContact O-N 3.03Å; W568-Y789 PolarHBondContact NE1-O 3.41Å; W568-A793 HydrophobicContact CD2-CB 4.16Å; W568-A793 HydrophobicContact CG-CB 4.21Å; W568-A796 HydrophobicContact CB-CB 3.43Å; W568-A796 VanDerWaalsContact CB-CB 3.43Å
569	S	93.4	Very high	91.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-67.5	-42.9	-179.4	-171.7	0	0	0	0	112	I565 G566 L567 F572 C573 T800	I565-S569 WeakPolarHBondContact O-CB 3.29Å; I565-S569 PolarHBondContact O-N 3.19Å; G566-S569 PolarHBondContact O-N 2.59Å; L567-S569 VanDerWaalsContact C-N 3.31Å; L567-S569 PolarHBondContact O-N 3.43Å; S569-F572 PolarHBondContact O-N 3.17Å; S569-C573 PolarHBondContact O-N 3.09Å; S569-C573 PolarHBondContact O-SG 3.05Å; S569-C573 VanDerWaalsContact O-SG 3.41Å; S569-T800 VanDerWaalsContact CA-OG1 3.25Å; S569-T800 WeakPolarHBondContact CA-OG1 3.22Å; S569-T800 PolarHBondContact O-OG1 3.01Å; S569-T800 PolarHBondContact OG-N 3.07Å; S569-T800 PolarHBondContact OG-OG1 3.35Å
570	G	94.1	Very high	91.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-43.2	172.2	0	0	0	0	0	112.5	G566 L567 C573 L574	G566-G570 PolarHBondContact O-N 3.48Å; L567-G570 PolarHBondContact O-N 2.79Å; G570-C573 PolarHBondContact O-N 3.03Å; G570-L574 WeakPolarHBondContact O-CG 3.34Å; G570-L574 PolarHBondContact O-N 2.86Å
571	L	94.3	Very high	91	Very high	84 Å²	84	29.1 Å²	29.1	44%	0.44	15%	0.152	S	C	.	.	H	α-helix	trans	-61.4	-46	175.3	-178	65.2	0	0	0	111.9	L567 W568 C573 L574 V575	L567-L571 WeakPolarHBondContact O-CB 3.46Å; L567-L571 PolarHBondContact O-N 3.25Å; W568-L571 HydrophobicContact CE3-CD2 3.92Å; W568-L571 HydrophobicContact CZ3-CD2 3.81Å; W568-L571 PolarHBondContact O-N 3.31Å; L571-C573 PolarHBondContact O-N 3.2Å; L571-L574 PolarHBondContact O-N 3.27Å; L571-V575 WeakPolarHBondContact O-CG2 3.36Å; L571-V575 PolarHBondContact O-N 3.39Å
572	F	94.6	Very high	90.4	Very high	58 Å²	58	28.5 Å²	28.5	25%	0.254	15%	0.15	S	C	.	.	H	α-helix	trans	-64.7	-38.3	177.1	-63.1	-38.1	0	0	0	112.2	W568 S569 L574 V575 L576 A793 A796 L797 T800	W568-F572 HydrophobicContact CB-CE2 4.22Å; W568-F572 HydrophobicContact CE3-CE1 4.27Å; W568-F572 HydrophobicContact CE3-CZ 4.06Å; W568-F572 WeakPolarHBondContact O-CD2 3.19Å; W568-F572 VanDerWaalsContact O-CG 3.27Å; W568-F572 WeakPolarHBondContact O-CG 3.34Å; W568-F572 PolarHBondContact O-N 3.03Å; S569-F572 PolarHBondContact O-N 3.17Å; F572-L574 VanDerWaalsContact C-N 3.35Å; F572-L574 PolarHBondContact O-N 3.12Å; F572-V575 PolarHBondContact O-N 3.27Å; F572-L576 WeakPolarHBondContact O-CG 3.49Å; F572-L576 PolarHBondContact O-N 3.1Å; F572-A793 HydrophobicContact CZ-CB 4.36Å; F572-A796 HydrophobicContact CD2-CB 4.48Å; F572-A796 HydrophobicContact CE2-CB 4.2Å; F572-L797 HydrophobicContact CD2-CB 4.46Å; F572-L797 HydrophobicContact CE2-CB 4.16Å; F572-T800 HydrophobicContact CB-CG2 3.63Å
573	C	92.6	Very high	89.5	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.007	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-41	172.4	-73.4	0	0	0	0	112.1	S569 G570 L571 V575 L576 V577 A835	S569-C573 PolarHBondContact O-N 3.09Å; S569-C573 PolarHBondContact O-SG 3.05Å; S569-C573 VanDerWaalsContact O-SG 3.41Å; G570-C573 PolarHBondContact O-N 3.03Å; L571-C573 PolarHBondContact O-N 3.2Å; C573-V575 VanDerWaalsContact C-N 3.33Å; C573-V575 PolarHBondContact O-N 2.91Å; C573-L576 PolarHBondContact O-N 3.47Å; C573-V577 WeakPolarHBondContact O-CG2 3.34Å; C573-V577 PolarHBondContact O-N 2.91Å; C573-A835 HydrophobicContact CB-CB 3.55Å
574	L	92.8	Very high	88.8	Confident	53 Å²	53	35.8 Å²	35.8	28%	0.277	19%	0.185	S	C	.	.	H	α-helix	trans	-63.5	-36.6	174.3	-69.8	173.4	0	0	0	112.4	G570 L571 F572 V577 A578 F832 A835 I839	G570-L574 WeakPolarHBondContact O-CG 3.34Å; G570-L574 PolarHBondContact O-N 2.86Å; L571-L574 PolarHBondContact O-N 3.27Å; F572-L574 VanDerWaalsContact C-N 3.35Å; F572-L574 PolarHBondContact O-N 3.12Å; L574-V577 PolarHBondContact O-N 3.04Å; L574-A578 WeakPolarHBondContact O-CB 3.41Å; L574-A578 PolarHBondContact O-N 3.1Å; L574-F832 HydrophobicContact CD2-CD2 3.64Å; L574-F832 HydrophobicContact CD2-CE2 3.7Å; L574-A835 HydrophobicContact CD2-CB 3.99Å; L574-A835 HydrophobicContact CG-CB 4.03Å; L574-I839 HydrophobicContact CD1-CD1 4.42Å
575	V	92.6	Very high	87.9	Confident	77 Å²	77	33.8 Å²	33.8	47%	0.467	18%	0.178	S	C	.	.	H	α-helix	trans	-65.2	-40.2	172.7	173.5	0	0	0	0	111.5	L571 F572 C573 A578 T579	L571-V575 WeakPolarHBondContact O-CG2 3.36Å; L571-V575 PolarHBondContact O-N 3.39Å; F572-V575 PolarHBondContact O-N 3.27Å; C573-V575 VanDerWaalsContact C-N 3.33Å; C573-V575 PolarHBondContact O-N 2.91Å; V575-A578 PolarHBondContact O-N 3.37Å; V575-T579 HydrophobicContact CG1-CG2 4.43Å; V575-T579 WeakPolarHBondContact O-CB 3.1Å; V575-T579 WeakPolarHBondContact O-CG2 3.44Å; V575-T579 PolarHBondContact O-N 3Å; V575-T579 PolarHBondContact O-OG1 3.36Å
576	L	90.1	Very high	86.9	Confident	48 Å²	48	36.7 Å²	36.7	25%	0.251	19%	0.191	S	C	.	.	H	α-helix	trans	-63.6	-40.3	175.1	-69.6	174.7	0	0	0	112.2	F572 C573 T579 A581 T800 F804 L831	F572-L576 WeakPolarHBondContact O-CG 3.49Å; F572-L576 PolarHBondContact O-N 3.1Å; C573-L576 PolarHBondContact O-N 3.47Å; L576-T579 WeakPolarHBondContact CA-OG1 3.32Å; L576-T579 PolarHBondContact O-OG1 2.94Å; L576-A581 HydrophobicContact CB-CB 3.99Å; L576-A581 HydrophobicContact CD2-CB 3.79Å; L576-A581 HydrophobicContact CG-CB 4.49Å; L576-A581 WeakPolarHBondContact O-CB 3.26Å; L576-A581 PolarHBondContact O-N 3.46Å; L576-T800 HydrophobicContact CD1-CG2 3.71Å; L576-F804 HydrophobicContact CD1-CB 4.35Å; L576-F804 HydrophobicContact CD1-CD2 3.91Å; L576-F804 HydrophobicContact CD1-CG 4.23Å; L576-L831 HydrophobicContact CB-CD2 4.45Å
577	V	90.4	Very high	86	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-45.5	172.6	173.3	0	0	0	0	111.4	L450 C573 L574 T579 D580 L831 F832	L450-V577 HydrophobicContact CB-CG1 4.26Å; L450-V577 HydrophobicContact CD1-CG1 4.49Å; L450-V577 HydrophobicContact CD2-CG1 4.07Å; C573-V577 WeakPolarHBondContact O-CG2 3.34Å; C573-V577 PolarHBondContact O-N 2.91Å; L574-V577 PolarHBondContact O-N 3.04Å; V577-T579 VanDerWaalsContact C-N 3.25Å; V577-T579 PolarHBondContact O-N 2.78Å; V577-D580 PolarHBondContact O-N 3.28Å; V577-L831 HydrophobicContact CG2-CB 3.93Å; V577-L831 HydrophobicContact CG2-CD2 3.69Å; V577-L831 HydrophobicContact CG2-CG 3.67Å; V577-F832 HydrophobicContact CG1-CB 4.26Å; V577-F832 HydrophobicContact CG2-CB 4.31Å
578	A	89.4	Confident	85.1	Confident	15 Å²	15	41.7 Å²	41.7	12%	0.124	21%	0.209	C	C	.	.	H	α-helix	trans	-68.8	-21.9	-177.2	0	0	0	0	0	114.2	F446 C447 L574 V575	F446-A578 HydrophobicContact CD2-CB 4.35Å; F446-A578 HydrophobicContact CE2-CB 3.76Å; F446-A578 HydrophobicContact CZ-CB 3.97Å; C447-A578 PolarHBondContact N-O 3.4Å; L574-A578 WeakPolarHBondContact O-CB 3.41Å; L574-A578 PolarHBondContact O-N 3.1Å; V575-A578 PolarHBondContact O-N 3.37Å
579	T	88.1	Confident	84.2	Confident	89 Å²	89	40 Å²	40	55%	0.546	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	10.4	178.9	50.6	0	0	0	0	113.9	V575 L576 V577 A581	V575-T579 HydrophobicContact CG1-CG2 4.43Å; V575-T579 WeakPolarHBondContact O-CB 3.1Å; V575-T579 WeakPolarHBondContact O-CG2 3.44Å; V575-T579 PolarHBondContact O-N 3Å; V575-T579 PolarHBondContact O-OG1 3.36Å; L576-T579 WeakPolarHBondContact CA-OG1 3.32Å; L576-T579 PolarHBondContact O-OG1 2.94Å; V577-T579 VanDerWaalsContact C-N 3.25Å; V577-T579 PolarHBondContact O-N 2.78Å; T579-A581 PolarHBondContact O-N 3.27Å
580	D	83.6	Confident	83.5	Confident	6 Å²	6	41.2 Å²	41.2	3%	0.032	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	36.3	-175.9	-63.4	-22	0	0	0	113	T443 G449 V577 S582 F583	T443-D580 WeakPolarHBondContact CB-OD2 3.08Å; T443-D580 PolarHBondContact N-OD2 3.3Å; T443-D580 PolarHBondContact OG1-OD2 3.15Å; G449-D580 PolarHBondContact N-OD1 3.32Å; V577-D580 PolarHBondContact O-N 3.28Å; D580-S582 PolarHBondContact O-N 3.49Å; D580-F583 PolarHBondContact O-N 3.25Å
581	A	80.6	Confident	83	Confident	11 Å²	11	41.4 Å²	41.4	9%	0.091	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-64.2	-14.4	-175	0	0	0	0	0	114.1	L576 T579 F583 L584 F804	L576-A581 HydrophobicContact CB-CB 3.99Å; L576-A581 HydrophobicContact CD2-CB 3.79Å; L576-A581 HydrophobicContact CG-CB 4.49Å; L576-A581 WeakPolarHBondContact O-CB 3.26Å; L576-A581 PolarHBondContact O-N 3.46Å; T579-A581 PolarHBondContact O-N 3.27Å; A581-F583 PolarHBondContact O-N 3.47Å; A581-F583 VanDerWaalsContact O-N 3.11Å; A581-L584 WeakPolarHBondContact O-CB 3.29Å; A581-L584 WeakPolarHBondContact O-CD1 3.27Å; A581-L584 PolarHBondContact O-N 3.01Å; A581-F804 HydrophobicContact CB-CE2 4.37Å
582	S	75.3	Confident	82.3	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-63.2	-12.7	174.2	-30.4	0	0	0	0	113.1	D580 L584 V585 H828	D580-S582 PolarHBondContact O-N 3.49Å; S582-L584 PolarHBondContact O-N 3.47Å; S582-V585 WeakPolarHBondContact O-CB 3.22Å; S582-V585 WeakPolarHBondContact O-CG2 3.46Å; S582-V585 PolarHBondContact O-N 3.49Å; S582-H828 VanDerWaalsContact CB-NE2 3.34Å; S582-H828 WeakPolarHBondContact CB-NE2 3.44Å; S582-H828 PolarHBondContact OG-CD2 2.83Å; S582-H828 PolarHBondContact OG-NE2 3.4Å
583	F	72.3	Confident	81.4	Confident	68 Å²	68	36.3 Å²	36.3	30%	0.298	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-57.8	-27.5	166.8	173.8	-105.1	0	0	0	112.9	L440 C442 D580 A581 V585 Q586 Y587	L440-F583 WeakPolarHBondContact O-CD2 3.32Å; C442-F583 HydrophobicContact CB-CB 4.21Å; C442-F583 HydrophobicContact CB-CD2 3.97Å; C442-F583 HydrophobicContact CB-CE2 4.41Å; C442-F583 HydrophobicContact CB-CG 4.01Å; D580-F583 PolarHBondContact O-N 3.25Å; A581-F583 PolarHBondContact O-N 3.47Å; A581-F583 VanDerWaalsContact O-N 3.11Å; F583-V585 PolarHBondContact O-N 2.98Å; F583-V585 VanDerWaalsContact O-N 3.14Å; F583-Q586 VanDerWaalsContact CE1-NE2 3.34Å; F583-Q586 VanDerWaalsContact O-CG 3.3Å; F583-Q586 WeakPolarHBondContact O-CG 3.26Å; F583-Q586 PolarHBondContact O-N 3.36Å; F583-Y587 HydrophobicContact CE1-CE2 4.47Å
584	L	74.8	Confident	80.8	Confident	85 Å²	85	36.7 Å²	36.7	45%	0.445	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-61.6	-21.3	175.1	-81.7	84.9	0	0	0	112.6	A581 S582 Q586 Y587	A581-L584 WeakPolarHBondContact O-CB 3.29Å; A581-L584 WeakPolarHBondContact O-CD1 3.27Å; A581-L584 PolarHBondContact O-N 3.01Å; S582-L584 PolarHBondContact O-N 3.47Å; L584-Q586 PolarHBondContact O-N 3.05Å; L584-Y587 WeakPolarHBondContact O-CB 3.4Å; L584-Y587 PolarHBondContact O-N 3.43Å; L584-Y587 VanDerWaalsContact O-N 3.09Å
585	V	73.6	Confident	80.3	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.018	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-63.8	-28.6	-176.1	179.8	0	0	0	0	112.4	L440 S582 F583 Y587 F588 Q808 V812	L440-V585 HydrophobicContact CD2-CB 4.32Å; S582-V585 WeakPolarHBondContact O-CB 3.22Å; S582-V585 WeakPolarHBondContact O-CG2 3.46Å; S582-V585 PolarHBondContact O-N 3.49Å; F583-V585 PolarHBondContact O-N 2.98Å; F583-V585 VanDerWaalsContact O-N 3.14Å; V585-Y587 PolarHBondContact O-N 2.84Å; V585-Y587 VanDerWaalsContact O-N 3.11Å; V585-F588 HydrophobicContact CG1-CD2 4.39Å; V585-F588 PolarHBondContact O-N 3.27Å; V585-Q808 HydrophobicContact CG2-CB 3.69Å; V585-Q808 HydrophobicContact CG2-CG 3.79Å; V585-V812 HydrophobicContact CG1-CG2 3.12Å
586	Q	70.4	Confident	79.7	Confident	61 Å²	61	31.2 Å²	31.2	29%	0.285	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-61.3	-19.5	175.4	81.4	-169.2	-10.7	0	0	113.8	F583 L584 F588	F583-Q586 VanDerWaalsContact CE1-NE2 3.34Å; F583-Q586 VanDerWaalsContact O-CG 3.3Å; F583-Q586 WeakPolarHBondContact O-CG 3.26Å; F583-Q586 PolarHBondContact O-N 3.36Å; L584-Q586 PolarHBondContact O-N 3.05Å; Q586-F588 VanDerWaalsContact C-N 3.34Å
587	Y	73.9	Confident	79	Confident	113 Å²	113	30.1 Å²	30.1	44%	0.443	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-85.6	-9.6	178.5	-62.3	-67.6	0	0	0	112.4	F583 L584 V585 T589 V992	F583-Y587 HydrophobicContact CE1-CE2 4.47Å; L584-Y587 WeakPolarHBondContact O-CB 3.4Å; L584-Y587 PolarHBondContact O-N 3.43Å; L584-Y587 VanDerWaalsContact O-N 3.09Å; V585-Y587 PolarHBondContact O-N 2.84Å; V585-Y587 VanDerWaalsContact O-N 3.11Å; Y587-T589 PolarHBondContact O-N 3.5Å; Y587-V992 WeakPolarHBondContact O-CG1 3.44Å
588	F	75.1	Confident	78.7	Confident	29 Å²	29	30 Å²	30	13%	0.127	15%	0.154	C	C	.	.			trans	-75.8	119.9	165.8	-62.7	-59.3	0	0	0	109.3	V585 Q586 M805 L989 V992	V585-F588 HydrophobicContact CG1-CD2 4.39Å; V585-F588 PolarHBondContact O-N 3.27Å; Q586-F588 VanDerWaalsContact C-N 3.34Å; F588-M805 HydrophobicContact CE1-CE 3.61Å; F588-M805 HydrophobicContact CE1-SD 4.29Å; F588-M805 HydrophobicContact CE2-SD 4.42Å; F588-M805 HydrophobicContact CZ-CE 3.52Å; F588-M805 HydrophobicContact CZ-SD 3.56Å; F588-M805 VanDerWaalsContact CZ-SD 3.56Å; F588-L989 HydrophobicContact CZ-CD2 4.37Å; F588-V992 HydrophobicContact CD1-CG2 3.75Å; F588-V992 HydrophobicContact CE1-CG2 3.54Å
589	T	77.2	Confident	78.4	Confident	36 Å²	36	29.3 Å²	29.3	22%	0.221	15%	0.148	C	C	.	.			trans	-108.4	168.4	176	54.1	0	0	0	0	109.3	Y587 F591 T592 E593 R995	Y587-T589 PolarHBondContact O-N 3.5Å; T589-F591 PolarHBondContact O-N 3.45Å; T589-T592 PolarHBondContact N-OG1 3.13Å; T589-T592 PolarHBondContact O-N 3.47Å; T589-T592 PolarHBondContact O-OG1 3.05Å; T589-E593 PolarHBondContact O-N 3.1Å; T589-E593 VanDerWaalsContact O-N 3.09Å; T589-R995 HydrophobicContact CG2-CG 4.35Å
590	R	77.1	Confident	78	Confident	26 Å²	26	26 Å²	26	10%	0.098	13%	0.127	C	C	.	.	H	α-helix	trans	-52.8	-39	176.6	-167.8	178	-168	144.3	13.9	112.8	T592 E593 E594 R816 D1011	R590-T592 VanDerWaalsContact C-N 3.34Å; R590-T592 PolarHBondContact O-N 2.99Å; R590-E593 PolarHBondContact O-N 3.09Å; R590-E594 HydrophobicContact CG-CG 3.9Å; R590-E594 IonicContact CZ-OE1 3.05Å; R590-E594 IonicContact NE-OE1 3.93Å; R590-E594 PolarHBondContact NE-OE1 3.22Å; R590-E594 IonicContact NH2-OE1 2.68Å; R590-E594 PolarHBondContact NH2-OE1 3.48Å; R590-E594 WeakPolarHBondContact O-CB 3.23Å; R590-E594 WeakPolarHBondContact O-CG 3.44Å; R590-E594 PolarHBondContact O-N 3.35Å; R590-R816 VanDerWaalsContact NH1-NH2 3.19Å; R590-D1011 VanDerWaalsContact CB-O 3.28Å; R590-D1011 WeakPolarHBondContact CB-O 3.36Å
591	F	83.5	Confident	77.9	Confident	4 Å²	4	25.8 Å²	25.8	2%	0.018	13%	0.126	C	C	.	.	H	α-helix	trans	-49.1	-50.9	172.1	-179.9	-103.1	0	0	0	113.5	T589 G595 F961 Q965 R995 M998 D1011	T589-F591 PolarHBondContact O-N 3.45Å; F591-G595 PolarHBondContact O-N 2.92Å; F591-G595 VanDerWaalsContact O-N 3.07Å; F591-F961 HydrophobicContact CB-CZ 4.37Å; F591-F961 AromaticContact CD2-CE1 3.8Å; F591-F961 HydrophobicContact CD2-CE1 3.8Å; F591-F961 HydrophobicContact CD2-CE2 4.32Å; F591-F961 AromaticContact CD2-CZ 3.54Å; F591-F961 HydrophobicContact CD2-CZ 3.54Å; F591-F961 HydrophobicContact CE2-CE1 4.3Å; F591-F961 HydrophobicContact CE2-CZ 4.27Å; F591-F961 HydrophobicContact CG-CZ 4.39Å; F591-Q965 HydrophobicContact CD2-CB 4.34Å; F591-Q965 HydrophobicContact CD2-CG 3.97Å; F591-Q965 HydrophobicContact CE2-CB 3.61Å; F591-Q965 HydrophobicContact CE2-CG 3.58Å; F591-Q965 HydrophobicContact CZ-CB 4.3Å; F591-Q965 HydrophobicContact CZ-CG 4.2Å; F591-Q965 PolarHBondContact O-NE2 3.47Å; F591-R995 HydrophobicContact CD1-CB 4.07Å; F591-R995 HydrophobicContact CE1-CB 4.5Å; F591-M998 HydrophobicContact CD2-CE 4.06Å; F591-M998 HydrophobicContact CE2-CE 4.1Å; F591-M998 HydrophobicContact CG-CE 4.39Å; F591-D1011 VanDerWaalsContact CB-OD1 3.29Å; F591-D1011 WeakPolarHBondContact CB-OD1 3.48Å; F591-D1011 PolarHBondContact N-OD1 2.87Å
592	T	80.3	Confident	78.2	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-72.8	-38.3	-177.8	45.1	0	0	0	0	112.5	T589 R590 F596 L991 V992	T589-T592 PolarHBondContact N-OG1 3.13Å; T589-T592 PolarHBondContact O-N 3.47Å; T589-T592 PolarHBondContact O-OG1 3.05Å; R590-T592 VanDerWaalsContact C-N 3.34Å; R590-T592 PolarHBondContact O-N 2.99Å; T592-F596 WeakPolarHBondContact O-CB 3.27Å; T592-F596 PolarHBondContact O-N 3.18Å; T592-L991 HydrophobicContact CG2-CB 3.91Å; T592-V992 HydrophobicContact CG2-CG2 4.06Å
593	E	75.9	Confident	78.5	Confident	32 Å²	32	29.3 Å²	29.3	15%	0.15	14%	0.14	C	C	.	.	H	α-helix	trans	-64.9	-53.2	178.1	-175.1	-169.5	132.8	0	0	111.5	T589 R590 F596 S597 I813	T589-E593 PolarHBondContact O-N 3.1Å; T589-E593 VanDerWaalsContact O-N 3.09Å; R590-E593 PolarHBondContact O-N 3.09Å; E593-F596 PolarHBondContact O-N 3.34Å; E593-S597 WeakPolarHBondContact O-CB 3.32Å; E593-S597 PolarHBondContact O-N 3.28Å; E593-I813 HydrophobicContact CG-CD1 3.97Å; E593-I813 HydrophobicContact CG-CG1 3.58Å; E593-I813 WeakPolarHBondContact OE1-CG1 3.41Å
594	E	80.6	Confident	78.8	Confident	9 Å²	9	28.1 Å²	28.1	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-67.1	-38.5	-179.8	-68.2	-166.8	166.7	0	0	112.1	R590 F596 S597 A598 V928 Q929 F930 R933	R590-E594 HydrophobicContact CG-CG 3.9Å; R590-E594 IonicContact CZ-OE1 3.05Å; R590-E594 IonicContact NE-OE1 3.93Å; R590-E594 PolarHBondContact NE-OE1 3.22Å; R590-E594 IonicContact NH2-OE1 2.68Å; R590-E594 PolarHBondContact NH2-OE1 3.48Å; R590-E594 WeakPolarHBondContact O-CB 3.23Å; R590-E594 WeakPolarHBondContact O-CG 3.44Å; R590-E594 PolarHBondContact O-N 3.35Å; E594-F596 VanDerWaalsContact C-N 3.33Å; E594-F596 PolarHBondContact O-N 2.94Å; E594-S597 PolarHBondContact O-N 3.25Å; E594-A598 VanDerWaalsContact O-CB 3.26Å; E594-A598 WeakPolarHBondContact O-CB 3.46Å; E594-A598 PolarHBondContact O-N 3Å; E594-V928 HydrophobicContact CB-CG1 3.6Å; E594-V928 HydrophobicContact CG-CG1 3.72Å; E594-Q929 VanDerWaalsContact OE1-CB 3.32Å; E594-Q929 WeakPolarHBondContact OE1-CB 3.31Å; E594-Q929 PolarHBondContact OE1-N 3.19Å; E594-Q929 VanDerWaalsContact OE1-N 3.07Å; E594-Q929 PolarHBondContact OE2-N 3.35Å; E594-F930 HydrophobicContact CB-CB 4.17Å; E594-F930 PolarHBondContact OE2-N 3.48Å; E594-R933 IonicContact OE2-CZ 3.29Å; E594-R933 IonicContact OE2-NH2 2.72Å; E594-R933 PolarHBondContact OE2-NH2 2.99Å
595	G	82.3	Confident	79.4	Confident	7 Å²	7	25.7 Å²	25.7	7%	0.072	12%	0.122	C	C	.	.	H	α-helix	trans	-61.5	-40.6	174.4	0	0	0	0	0	112.4	F591 L599	F591-G595 PolarHBondContact O-N 2.92Å; F591-G595 VanDerWaalsContact O-N 3.07Å; G595-L599 VanDerWaalsContact O-CB 3.28Å; G595-L599 WeakPolarHBondContact O-CB 3.21Å; G595-L599 PolarHBondContact O-N 2.83Å
596	F	78.5	Confident	80	Confident	9 Å²	9	30.9 Å²	30.9	4%	0.039	14%	0.142	C	C	.	.	H	α-helix	trans	-69.6	-46.1	175.5	-179.1	-109.9	0	0	0	112.2	T592 E593 E594 A598 L599 I600 D806 I809 F984 I988	T592-F596 WeakPolarHBondContact O-CB 3.27Å; T592-F596 PolarHBondContact O-N 3.18Å; E593-F596 PolarHBondContact O-N 3.34Å; E594-F596 VanDerWaalsContact C-N 3.33Å; E594-F596 PolarHBondContact O-N 2.94Å; F596-A598 PolarHBondContact O-N 2.93Å; F596-L599 PolarHBondContact O-N 3.14Å; F596-I600 HydrophobicContact CD1-CG1 4.42Å; F596-I600 HydrophobicContact CD2-CG1 4.33Å; F596-I600 HydrophobicContact CE1-CG1 4.05Å; F596-I600 HydrophobicContact CE2-CD1 3.95Å; F596-I600 HydrophobicContact CE2-CG1 3.94Å; F596-I600 HydrophobicContact CZ-CD1 3.94Å; F596-I600 HydrophobicContact CZ-CG1 3.8Å; F596-I600 WeakPolarHBondContact O-CG1 3.33Å; F596-I600 PolarHBondContact O-N 3.42Å; F596-D806 WeakPolarHBondContact CZ-OD1 3.41Å; F596-I809 HydrophobicContact CD1-CD1 4.17Å; F596-I809 HydrophobicContact CD1-CG2 4.01Å; F596-I809 HydrophobicContact CE1-CD1 4.4Å; F596-I809 HydrophobicContact CE1-CG2 4.42Å; F596-I809 HydrophobicContact CG-CD1 4.42Å; F596-F984 HydrophobicContact CE2-CE1 4.25Å; F596-F984 HydrophobicContact CE2-CZ 4.41Å; F596-I988 HydrophobicContact CD2-CD1 3.74Å; F596-I988 HydrophobicContact CD2-CG1 4.4Å; F596-I988 HydrophobicContact CE2-CD1 3.55Å
597	S	77	Confident	80.4	Confident	24 Å²	24	30.4 Å²	30.4	17%	0.168	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-45.4	177.3	-174.2	0	0	0	0	112.2	E593 E594 L599 I600 S601	E593-S597 WeakPolarHBondContact O-CB 3.32Å; E593-S597 PolarHBondContact O-N 3.28Å; E594-S597 PolarHBondContact O-N 3.25Å; S597-L599 PolarHBondContact O-N 3.17Å; S597-I600 PolarHBondContact O-N 2.73Å; S597-S601 WeakPolarHBondContact O-CB 3.45Å; S597-S601 PolarHBondContact O-N 3.43Å; S597-S601 PolarHBondContact O-OG 2.99Å
598	A	83.3	Confident	80.9	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-42.5	175.2	0	0	0	0	0	111.9	E594 F596 S601 F602 L925 F930 L969	E594-A598 VanDerWaalsContact O-CB 3.26Å; E594-A598 WeakPolarHBondContact O-CB 3.46Å; E594-A598 PolarHBondContact O-N 3Å; F596-A598 PolarHBondContact O-N 2.93Å; A598-S601 WeakPolarHBondContact O-CB 3.32Å; A598-S601 PolarHBondContact O-N 2.96Å; A598-F602 HydrophobicContact CB-CE2 4.37Å; A598-F602 WeakPolarHBondContact O-CD2 3.27Å; A598-F602 WeakPolarHBondContact O-CG 3.4Å; A598-F602 PolarHBondContact O-N 3.48Å; A598-L925 HydrophobicContact CB-CD2 4.4Å; A598-F930 HydrophobicContact CB-CD1 3.6Å; A598-F930 HydrophobicContact CB-CE1 3.89Å; A598-L969 HydrophobicContact CB-CD1 3.97Å
599	L	82.9	Confident	81.6	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-47.4	177.7	179.1	62.2	0	0	0	112.4	G595 F596 S597 S601 F602 I603 L969 L972 W973 F984	G595-L599 VanDerWaalsContact O-CB 3.28Å; G595-L599 WeakPolarHBondContact O-CB 3.21Å; G595-L599 PolarHBondContact O-N 2.83Å; F596-L599 PolarHBondContact O-N 3.14Å; S597-L599 PolarHBondContact O-N 3.17Å; L599-S601 VanDerWaalsContact C-N 3.3Å; L599-S601 PolarHBondContact O-N 3Å; L599-F602 PolarHBondContact O-N 3.24Å; L599-I603 HydrophobicContact CD1-CD1 4.23Å; L599-I603 HydrophobicContact CD1-CG1 4.46Å; L599-I603 HydrophobicContact CG-CD1 4.05Å; L599-I603 VanDerWaalsContact O-CG1 3.23Å; L599-I603 WeakPolarHBondContact O-CG1 3.47Å; L599-I603 PolarHBondContact O-N 3.47Å; L599-L969 HydrophobicContact CB-CD1 4.23Å; L599-L969 HydrophobicContact CB-CG 4.38Å; L599-L969 HydrophobicContact CD1-CD2 4.42Å; L599-L969 HydrophobicContact CD1-CG 4.32Å; L599-L972 HydrophobicContact CD2-CB 3.79Å; L599-L972 HydrophobicContact CD2-CD1 3.69Å; L599-L972 HydrophobicContact CD2-CG 4.35Å; L599-W973 HydrophobicContact CD1-CE3 3.94Å; L599-F984 HydrophobicContact CD2-CE2 3.76Å; L599-F984 HydrophobicContact CD2-CZ 3.81Å
600	I	80	Confident	82	Confident	20 Å²	20	31.2 Å²	31.2	10%	0.103	15%	0.145	C	C	.	.	H	α-helix	trans	-60.9	-41.9	176.4	-65.6	-63.4	0	0	0	110.8	P535 F596 S597 I603 F604	P535-I600 HydrophobicContact CG-CD1 4.25Å; F596-I600 HydrophobicContact CD1-CG1 4.42Å; F596-I600 HydrophobicContact CD2-CG1 4.33Å; F596-I600 HydrophobicContact CE1-CG1 4.05Å; F596-I600 HydrophobicContact CE2-CD1 3.95Å; F596-I600 HydrophobicContact CE2-CG1 3.94Å; F596-I600 HydrophobicContact CZ-CD1 3.94Å; F596-I600 HydrophobicContact CZ-CG1 3.8Å; F596-I600 WeakPolarHBondContact O-CG1 3.33Å; F596-I600 PolarHBondContact O-N 3.42Å; S597-I600 PolarHBondContact O-N 2.73Å; I600-I603 WeakPolarHBondContact O-CB 3.36Å; I600-I603 PolarHBondContact O-N 2.94Å; I600-F604 HydrophobicContact CG2-CD2 4.08Å; I600-F604 HydrophobicContact CG2-CE2 3.65Å; I600-F604 HydrophobicContact CG2-CZ 4.12Å; I600-F604 PolarHBondContact O-N 2.94Å
601	S	82.4	Confident	82.3	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.007	15%	0.145	C	C	.	.	H	α-helix	trans	-61.1	-46.8	177.3	-57.7	0	0	0	0	112.5	S597 A598 L599 I603 F604 I605 G921 S924	S597-S601 WeakPolarHBondContact O-CB 3.45Å; S597-S601 PolarHBondContact O-N 3.43Å; S597-S601 PolarHBondContact O-OG 2.99Å; A598-S601 WeakPolarHBondContact O-CB 3.32Å; A598-S601 PolarHBondContact O-N 2.96Å; L599-S601 VanDerWaalsContact C-N 3.3Å; L599-S601 PolarHBondContact O-N 3Å; S601-I603 VanDerWaalsContact C-N 3.32Å; S601-I603 PolarHBondContact O-N 3.38Å; S601-F604 PolarHBondContact O-N 3.2Å; S601-I605 WeakPolarHBondContact O-CG1 3.5Å; S601-I605 PolarHBondContact O-N 2.95Å; S601-G921 WeakPolarHBondContact CB-O 3.49Å; S601-S924 WeakPolarHBondContact CB-OG 3.15Å; S601-S924 WeakPolarHBondContact OG-CB 3.25Å; S601-S924 PolarHBondContact OG-OG 3.25Å
602	F	85.1	Confident	82.5	Confident	60 Å²	60	31.1 Å²	31.1	26%	0.263	15%	0.145	S	C	.	.	H	α-helix	trans	-62.8	-36.2	173.5	-69.8	-50.5	0	0	0	112.7	A598 L599 Y606 F930 M931 L969 W973	A598-F602 HydrophobicContact CB-CE2 4.37Å; A598-F602 WeakPolarHBondContact O-CD2 3.27Å; A598-F602 WeakPolarHBondContact O-CG 3.4Å; A598-F602 PolarHBondContact O-N 3.48Å; L599-F602 PolarHBondContact O-N 3.24Å; F602-Y606 WeakPolarHBondContact O-CB 3.42Å; F602-Y606 PolarHBondContact O-N 2.87Å; F602-F930 HydrophobicContact CE2-CE1 4.41Å; F602-M931 HydrophobicContact CE1-CE 3.52Å; F602-M931 HydrophobicContact CE2-CE 4.1Å; F602-M931 HydrophobicContact CZ-CE 3.22Å; F602-L969 HydrophobicContact CD2-CD1 4.22Å; F602-L969 HydrophobicContact CD2-CD2 3.88Å; F602-L969 HydrophobicContact CE2-CD1 4.08Å; F602-L969 HydrophobicContact CE2-CD2 3.95Å; F602-W973 HydrophobicContact CB-CZ3 3.98Å
603	I	82.1	Confident	82.9	Confident	25 Å²	25	35 Å²	35	13%	0.128	17%	0.165	C	C	.	.	H	α-helix	trans	-61.8	-44.3	175.4	-71.6	168.9	0	0	0	110.4	L599 I600 S601 D607 W973 K976	L599-I603 HydrophobicContact CD1-CD1 4.23Å; L599-I603 HydrophobicContact CD1-CG1 4.46Å; L599-I603 HydrophobicContact CG-CD1 4.05Å; L599-I603 VanDerWaalsContact O-CG1 3.23Å; L599-I603 WeakPolarHBondContact O-CG1 3.47Å; L599-I603 PolarHBondContact O-N 3.47Å; I600-I603 WeakPolarHBondContact O-CB 3.36Å; I600-I603 PolarHBondContact O-N 2.94Å; S601-I603 VanDerWaalsContact C-N 3.32Å; S601-I603 PolarHBondContact O-N 3.38Å; I603-D607 VanDerWaalsContact O-CB 3.23Å; I603-D607 WeakPolarHBondContact O-CB 3.49Å; I603-D607 PolarHBondContact O-N 2.98Å; I603-W973 HydrophobicContact CB-CZ3 4.4Å; I603-W973 HydrophobicContact CG1-CE3 4.22Å; I603-W973 HydrophobicContact CG1-CH2 4.44Å; I603-W973 HydrophobicContact CG1-CZ3 3.61Å; I603-K976 HydrophobicContact CD1-CD 4.13Å; I603-K976 HydrophobicContact CD1-CG 4.35Å; I603-K976 HydrophobicContact CG1-CD 4.28Å
604	F	78.9	Confident	83.3	Confident	43 Å²	43	40.7 Å²	40.7	19%	0.189	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-44.3	177.6	-71.4	-35.7	0	0	0	113.2	F491 I600 S601 Y606 D607 A608	F491-F604 AromaticContact CZ-CE1 3.87Å; F491-F604 HydrophobicContact CZ-CE1 3.87Å; F491-F604 HydrophobicContact CZ-CZ 4.1Å; I600-F604 HydrophobicContact CG2-CD2 4.08Å; I600-F604 HydrophobicContact CG2-CE2 3.65Å; I600-F604 HydrophobicContact CG2-CZ 4.12Å; I600-F604 PolarHBondContact O-N 2.94Å; S601-F604 PolarHBondContact O-N 3.2Å; F604-Y606 PolarHBondContact O-N 3.16Å; F604-D607 PolarHBondContact O-N 3.43Å; F604-A608 WeakPolarHBondContact O-CB 3.23Å; F604-A608 PolarHBondContact O-N 3.47Å
605	I	86.8	Confident	83.6	Confident	34 Å²	34	41.4 Å²	41.4	17%	0.174	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-50.8	176.2	-69.2	161.7	0	0	0	110.3	S601 D607 A608 F609 L918 V922 L925	S601-I605 WeakPolarHBondContact O-CG1 3.5Å; S601-I605 PolarHBondContact O-N 2.95Å; I605-D607 PolarHBondContact O-N 3.44Å; I605-A608 PolarHBondContact O-N 3.03Å; I605-F609 HydrophobicContact CG2-CD2 4.11Å; I605-F609 HydrophobicContact CG2-CE2 4.05Å; I605-F609 VanDerWaalsContact O-CD2 3.27Å; I605-F609 WeakPolarHBondContact O-CD2 3.45Å; I605-F609 PolarHBondContact O-N 2.88Å; I605-L918 HydrophobicContact CB-CD1 4.38Å; I605-L918 HydrophobicContact CG1-CD1 4.21Å; I605-L918 HydrophobicContact CG2-CD1 3.99Å; I605-V922 HydrophobicContact CD1-CG2 3.98Å; I605-V922 HydrophobicContact CG1-CG2 4.12Å; I605-L925 HydrophobicContact CD1-CD1 3.64Å
606	Y	87.2	Confident	83.8	Confident	112 Å²	112	42.1 Å²	42.1	44%	0.439	20%	0.199	S	C	.	.	H	α-helix	trans	-62.8	-43	179.3	173	-104.4	0	0	0	113	F602 F604 F609 K610 W973	F602-Y606 WeakPolarHBondContact O-CB 3.42Å; F602-Y606 PolarHBondContact O-N 2.87Å; F604-Y606 PolarHBondContact O-N 3.16Å; Y606-F609 PolarHBondContact O-N 3.38Å; Y606-K610 HydrophobicContact CE1-CD 3.95Å; Y606-K610 VanDerWaalsContact O-CB 3.26Å; Y606-K610 WeakPolarHBondContact O-CB 3.44Å; Y606-K610 PolarHBondContact O-N 2.99Å; Y606-W973 AromaticContact CD1-CH2 3.95Å; Y606-W973 HydrophobicContact CD1-CH2 3.95Å; Y606-W973 AromaticContact CD1-CZ2 3.98Å; Y606-W973 HydrophobicContact CD1-CZ2 3.98Å; Y606-W973 HydrophobicContact CD2-CZ2 4.15Å; Y606-W973 HydrophobicContact CE1-CZ2 4.43Å; Y606-W973 AromaticContact CG-CH2 3.77Å; Y606-W973 HydrophobicContact CG-CH2 3.77Å; Y606-W973 AromaticContact CG-CZ2 3.8Å; Y606-W973 HydrophobicContact CG-CZ2 3.8Å
607	D	79.3	Confident	84.2	Confident	52 Å²	52	48.9 Å²	48.9	28%	0.278	23%	0.23	S	C	.	.	H	α-helix	trans	-71.4	-30.8	-176.8	-163.6	41.7	0	0	0	112.2	I603 F604 I605 K611	I603-D607 VanDerWaalsContact O-CB 3.23Å; I603-D607 WeakPolarHBondContact O-CB 3.49Å; I603-D607 PolarHBondContact O-N 2.98Å; F604-D607 PolarHBondContact O-N 3.43Å; I605-D607 PolarHBondContact O-N 3.44Å; D607-K611 VanDerWaalsContact CG-CE 3.42Å; D607-K611 WeakPolarHBondContact O-CD 3.46Å; D607-K611 VanDerWaalsContact O-CG 3.28Å; D607-K611 WeakPolarHBondContact O-CG 3.13Å; D607-K611 PolarHBondContact O-N 3.17Å; D607-K611 WeakPolarHBondContact OD1-CE 3.28Å; D607-K611 IonicContact OD1-NZ 2.61Å; D607-K611 WeakPolarHBondContact OD2-CE 3.45Å; D607-K611 IonicContact OD2-NZ 2.8Å; D607-K611 PolarHBondContact OD2-NZ 3.45Å
608	A	83.4	Confident	84.5	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-51.2	170.2	0	0	0	0	0	111.6	F604 I605 K610 K611 M612 F708 F917 L918	F604-A608 WeakPolarHBondContact O-CB 3.23Å; F604-A608 PolarHBondContact O-N 3.47Å; I605-A608 PolarHBondContact O-N 3.03Å; A608-K610 PolarHBondContact O-N 3.39Å; A608-K611 PolarHBondContact O-N 3.48Å; A608-M612 PolarHBondContact O-N 3.48Å; A608-M612 VanDerWaalsContact O-N 3.13Å; A608-F708 HydrophobicContact CB-CE2 4.33Å; A608-F917 HydrophobicContact CB-CB 4.28Å; A608-L918 HydrophobicContact CB-CB 4.33Å
609	F	90.4	Very high	84.5	Confident	83 Å²	83	55.9 Å²	55.9	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-41.4	175.1	-78.3	-68.8	0	0	0	112.4	I605 Y606 K611 M612 I613 F708 L918	I605-F609 HydrophobicContact CG2-CD2 4.11Å; I605-F609 HydrophobicContact CG2-CE2 4.05Å; I605-F609 VanDerWaalsContact O-CD2 3.27Å; I605-F609 WeakPolarHBondContact O-CD2 3.45Å; I605-F609 PolarHBondContact O-N 2.88Å; Y606-F609 PolarHBondContact O-N 3.38Å; F609-K611 VanDerWaalsContact C-N 3.31Å; F609-K611 PolarHBondContact O-N 2.8Å; F609-M612 PolarHBondContact O-N 3.47Å; F609-I613 WeakPolarHBondContact O-CB 3.38Å; F609-I613 VanDerWaalsContact O-CG1 3.29Å; F609-I613 WeakPolarHBondContact O-CG1 3.47Å; F609-I613 PolarHBondContact O-N 3.01Å; F609-F708 HydrophobicContact CD1-CE1 4.1Å; F609-F708 HydrophobicContact CD1-CZ 4.17Å; F609-F708 AromaticContact CE1-CE1 3.79Å; F609-F708 HydrophobicContact CE1-CE1 3.79Å; F609-F708 HydrophobicContact CE1-CZ 4.1Å; F609-F708 HydrophobicContact CZ-CE1 4.44Å; F609-L918 HydrophobicContact CD2-CD1 4.32Å; F609-L918 HydrophobicContact CE2-CD1 3.64Å; F609-L918 HydrophobicContact CE2-CD2 4.29Å; F609-L918 HydrophobicContact CZ-CD1 4.2Å; F609-L918 HydrophobicContact CZ-CD2 4Å
610	K	85.8	Confident	84.5	Confident	111 Å²	111	59 Å²	59	48%	0.483	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-39.1	178.4	-176.2	177.9	178.9	179	0	112.3	Y606 A608 K614	Y606-K610 HydrophobicContact CE1-CD 3.95Å; Y606-K610 VanDerWaalsContact O-CB 3.26Å; Y606-K610 WeakPolarHBondContact O-CB 3.44Å; Y606-K610 PolarHBondContact O-N 2.99Å; A608-K610 PolarHBondContact O-N 3.39Å; K610-K614 WeakPolarHBondContact O-CB 3.34Å; K610-K614 PolarHBondContact O-N 3.32Å
611	K	82.1	Confident	84.7	Confident	25 Å²	25	62.3 Å²	62.3	11%	0.109	30%	0.298	C	S	.	.	H	α-helix	trans	-70.7	-42.1	176.5	-71.4	166.4	-164.3	164.7	0	112.2	L494 D607 A608 F609 I613 K614 L615 Y914	L494-K611 HydrophobicContact CD2-CD 3.91Å; D607-K611 VanDerWaalsContact CG-CE 3.42Å; D607-K611 WeakPolarHBondContact O-CD 3.46Å; D607-K611 VanDerWaalsContact O-CG 3.28Å; D607-K611 WeakPolarHBondContact O-CG 3.13Å; D607-K611 PolarHBondContact O-N 3.17Å; D607-K611 WeakPolarHBondContact OD1-CE 3.28Å; D607-K611 IonicContact OD1-NZ 2.61Å; D607-K611 WeakPolarHBondContact OD2-CE 3.45Å; D607-K611 IonicContact OD2-NZ 2.8Å; D607-K611 PolarHBondContact OD2-NZ 3.45Å; A608-K611 PolarHBondContact O-N 3.48Å; F609-K611 VanDerWaalsContact C-N 3.31Å; F609-K611 PolarHBondContact O-N 2.8Å; K611-I613 VanDerWaalsContact C-N 3.34Å; K611-I613 PolarHBondContact O-N 3.43Å; K611-K614 PolarHBondContact O-N 3.4Å; K611-L615 WeakPolarHBondContact O-CB 3.22Å; K611-L615 PolarHBondContact O-N 3.25Å; K611-Y914 HydrophobicContact CB-CD2 4.05Å; K611-Y914 HydrophobicContact CB-CE1 4.29Å; K611-Y914 HydrophobicContact CB-CE2 3.7Å; K611-Y914 HydrophobicContact CB-CG 4.49Å; K611-Y914 HydrophobicContact CD-CD1 4.27Å; K611-Y914 HydrophobicContact CD-CE1 3.84Å
612	M	87.4	Confident	84.4	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-58.8	-44	172.6	-77.1	-59.6	-58	0	0	112.2	A608 F609 L615 A616 S704 F705 F708 P911 Y914	A608-M612 PolarHBondContact O-N 3.48Å; A608-M612 VanDerWaalsContact O-N 3.13Å; F609-M612 PolarHBondContact O-N 3.47Å; M612-L615 PolarHBondContact O-N 2.87Å; M612-A616 WeakPolarHBondContact O-CB 3.23Å; M612-A616 PolarHBondContact O-N 3.19Å; M612-S704 WeakPolarHBondContact CE-O 3.27Å; M612-F705 HydrophobicContact CB-CE1 4.41Å; M612-F705 HydrophobicContact CE-CD1 3.79Å; M612-F705 HydrophobicContact CE-CD2 4.37Å; M612-F705 HydrophobicContact CE-CE1 4Å; M612-F705 HydrophobicContact CE-CG 3.98Å; M612-F705 HydrophobicContact CE-CZ 4.37Å; M612-F708 HydrophobicContact CE-CB 3.73Å; M612-F708 HydrophobicContact CE-CD1 4.29Å; M612-F708 HydrophobicContact CE-CG 4Å; M612-F708 HydrophobicContact CG-CB 4.38Å; M612-F708 HydrophobicContact CG-CD1 3.96Å; M612-F708 HydrophobicContact CG-CD2 3.53Å; M612-F708 HydrophobicContact CG-CE1 4.08Å; M612-F708 HydrophobicContact CG-CE2 3.65Å; M612-F708 HydrophobicContact CG-CG 3.7Å; M612-F708 HydrophobicContact CG-CZ 3.92Å; M612-F708 HydrophobicContact SD-CB 3.8Å; M612-F708 HydrophobicContact SD-CD1 4.45Å; M612-F708 HydrophobicContact SD-CD2 3.82Å; M612-F708 HydrophobicContact SD-CG 3.79Å; M612-P911 HydrophobicContact SD-CB 4.18Å; M612-Y914 HydrophobicContact CG-CD2 4.12Å; M612-Y914 HydrophobicContact SD-CD2 3.75Å
613	I	89.4	Confident	83.9	Confident	85 Å²	85	67.2 Å²	67.2	44%	0.436	34%	0.336	S	S	.	.	H	α-helix	trans	-67.5	-40	176.5	-66.7	163.6	0	0	0	111.1	F609 K611 L615 A616 H617	F609-I613 WeakPolarHBondContact O-CB 3.38Å; F609-I613 VanDerWaalsContact O-CG1 3.29Å; F609-I613 WeakPolarHBondContact O-CG1 3.47Å; F609-I613 PolarHBondContact O-N 3.01Å; K611-I613 VanDerWaalsContact C-N 3.34Å; K611-I613 PolarHBondContact O-N 3.43Å; I613-L615 VanDerWaalsContact C-N 3.32Å; I613-L615 PolarHBondContact O-N 3.46Å; I613-A616 PolarHBondContact O-N 3.06Å; I613-H617 PolarHBondContact O-CD2 3.02Å; I613-H617 PolarHBondContact O-N 2.91Å
614	K	85.6	Confident	83.4	Confident	151 Å²	151	72.5 Å²	72.5	66%	0.657	36%	0.36	S	S	*	.	H	α-helix	trans	-60.7	-40.9	173.7	-171.8	-167.5	174	-158	0	111.6	K610 K611 H617 H618	K610-K614 WeakPolarHBondContact O-CB 3.34Å; K610-K614 PolarHBondContact O-N 3.32Å; K611-K614 PolarHBondContact O-N 3.4Å; K614-H617 PolarHBondContact O-N 2.95Å; K614-H618 PolarHBondContact O-N 3.08Å
615	L	85.3	Confident	83	Confident	24 Å²	24	76.6 Å²	76.6	13%	0.126	38%	0.378	C	S	.	.	H	α-helix	trans	-65	-43.2	175.3	179.5	62	0	0	0	111.4	K611 M612 I613 H617 H618 N619 P759 P911	K611-L615 WeakPolarHBondContact O-CB 3.22Å; K611-L615 PolarHBondContact O-N 3.25Å; M612-L615 PolarHBondContact O-N 2.87Å; I613-L615 VanDerWaalsContact C-N 3.32Å; I613-L615 PolarHBondContact O-N 3.46Å; L615-H617 VanDerWaalsContact C-N 3.29Å; L615-H617 PolarHBondContact O-N 2.99Å; L615-H618 WeakPolarHBondContact O-CB 3.29Å; L615-H618 PolarHBondContact O-N 2.9Å; L615-H618 VanDerWaalsContact O-N 3.13Å; L615-N619 PolarHBondContact O-N 3.2Å; L615-P759 HydrophobicContact CD1-CG 3.9Å; L615-P759 HydrophobicContact CD2-CG 3.88Å; L615-P911 HydrophobicContact CD2-CG 4.03Å
616	A	86.7	Confident	82.3	Confident	23 Å²	23	78 Å²	78	19%	0.19	39%	0.386	C	S	.	.	H	α-helix	trans	-63.5	-30.9	175.5	0	0	0	0	0	113.3	M612 I613 N619 P620 T701 F705	M612-A616 WeakPolarHBondContact O-CB 3.23Å; M612-A616 PolarHBondContact O-N 3.19Å; I613-A616 PolarHBondContact O-N 3.06Å; A616-N619 CarbonylContact O-C 3.54Å; A616-N619 VanDerWaalsContact O-C 3.3Å; A616-P620 WeakPolarHBondContact O-CA 3.5Å; A616-T701 HydrophobicContact CB-CG2 3.62Å; A616-F705 HydrophobicContact CB-CE2 4.06Å; A616-F705 HydrophobicContact CB-CZ 4.48Å
617	H	87.2	Confident	81.3	Confident	150 Å²	150	79.5 Å²	79.5	69%	0.694	40%	0.396	S	S	*	.	H	α-helix	trans	-77.2	-29.1	171.7	-74.6	-57.2	0	0	0	113.6	I613 K614 L615	I613-H617 PolarHBondContact O-CD2 3.02Å; I613-H617 PolarHBondContact O-N 2.91Å; K614-H617 PolarHBondContact O-N 2.95Å; L615-H617 VanDerWaalsContact C-N 3.29Å; L615-H617 PolarHBondContact O-N 2.99Å
618	H	83.1	Confident	80.9	Confident	148 Å²	148	83.8 Å²	83.8	69%	0.685	42%	0.419	S	S	*	.	H	α-helix	trans	-71.1	-37.2	173.9	-171.9	-73.5	0	0	0	111.6	K614 L615 P620	K614-H618 PolarHBondContact O-N 3.08Å; L615-H618 WeakPolarHBondContact O-CB 3.29Å; L615-H618 PolarHBondContact O-N 2.9Å; L615-H618 VanDerWaalsContact O-N 3.13Å; H618-P620 WeakPolarHBondContact O-CD 2.85Å
619	N	83.9	Confident	80.1	Confident	24 Å²	24	86.4 Å²	86.4	13%	0.128	43%	0.433	C	S	.	.	S	Bend	trans	-118.3	74	179.1	-58.4	-22.1	0	0	0	109	L615 A616 I700 T701	L615-N619 PolarHBondContact O-N 3.2Å; A616-N619 CarbonylContact O-C 3.54Å; A616-N619 VanDerWaalsContact O-C 3.3Å; N619-I700 WeakPolarHBondContact ND2-CG2 3.23Å; N619-T701 WeakPolarHBondContact CB-OG1 3.22Å; N619-T701 PolarHBondContact O-OG1 3.13Å
620	P	83.6	Confident	78.8	Confident	65 Å²	65	87.4 Å²	87.4	42%	0.422	44%	0.441	S	S	.	.			trans	-62.3	151.7	-176.1	27.5	-36	0	0	0	111.4	A616 H618 Y696	A616-P620 WeakPolarHBondContact O-CA 3.5Å; H618-P620 WeakPolarHBondContact O-CD 2.85Å; P620-Y696 WeakPolarHBondContact O-CD2 3.36Å; P620-Y696 WeakPolarHBondContact O-CE2 3.39Å
621	I	82.3	Confident	77.7	Confident	90 Å²	90	87.7 Å²	87.7	46%	0.462	45%	0.452	S	S	.	.			trans	-87.7	127.7	175.2	-59.6	171.9	0	0	0	109.1	S623 T701 L702	I621-S623 PolarHBondContact O-N 2.91Å; I621-T701 HydrophobicContact CD1-CG2 4.01Å; I621-T701 HydrophobicContact CG1-CG2 4.1Å; I621-L702 HydrophobicContact CD1-CD2 3.74Å; I621-L702 HydrophobicContact CD1-CG 3.99Å
622	N	76.6	Confident	76.7	Confident	49 Å²	49	92.6 Å²	92.6	26%	0.262	48%	0.476	S	S	.	.			trans	-74.9	110.8	171.4	-177.6	10.3	0	0	0	110.4	E624 Y696	N622-E624 PolarHBondContact OD1-N 3.47Å; N622-Y696 HydrophobicContact CB-CD1 3.94Å; N622-Y696 HydrophobicContact CB-CD2 4.23Å; N622-Y696 HydrophobicContact CB-CE1 3.69Å; N622-Y696 HydrophobicContact CB-CE2 4.02Å; N622-Y696 HydrophobicContact CB-CG 4.18Å
623	S	73.9	Confident	75.7	Confident	115 Å²	115	94.4 Å²	94.4	80%	0.804	48%	0.482	S	S	*	.			trans	-89.2	-10.4	177.3	55.9	0	0	0	0	114.4	I621	I621-S623 PolarHBondContact O-N 2.91Å
624	E	72.6	Confident	74.7	Confident	136 Å²	136	93.8 Å²	93.8	64%	0.636	48%	0.48	S	S	*	.			trans	-99.3	32.9	-178.1	-61.6	-171.2	164.6	0	0	112.3	N622 D626 Y633	N622-E624 PolarHBondContact OD1-N 3.47Å; E624-D626 PolarHBondContact O-N 2.9Å; E624-Y633 PolarHBondContact O-OH 3.42Å
625	F	71.4	Confident	74.2	Confident	128 Å²	128	88.6 Å²	88.6	56%	0.561	46%	0.462	S	S	*	.			trans	-78.8	102.4	179.5	-173.7	-97.3	0	0	0	111.3
626	D	70.9	Confident	73.6	Confident	65 Å²	65	94.5 Å²	94.5	35%	0.348	48%	0.483	S	S	.	.			trans	-98.3	122.8	169.9	-176.1	-5.4	0	0	0	110.4	E624 N628 L629 Y633	E624-D626 PolarHBondContact O-N 2.9Å; D626-N628 PolarHBondContact O-N 2.7Å; D626-N628 VanDerWaalsContact O-N 3.13Å; D626-N628 WeakPolarHBondContact OD1-CB 3.49Å; D626-N628 PolarHBondContact OD1-N 3.49Å; D626-N628 PolarHBondContact OD1-ND2 3.26Å; D626-L629 HydrophobicContact CB-CB 4.44Å; D626-L629 HydrophobicContact CB-CD1 4.07Å; D626-L629 PolarHBondContact O-N 2.95Å; D626-Y633 PolarHBondContact N-OH 3.23Å
627	H	66.4	Low	73.1	Confident	142 Å²	142	94.1 Å²	94.1	66%	0.657	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-62.8	-18.4	-179.5	-152.4	-177.4	0	0	0	113	L629 I630	H627-L629 VanDerWaalsContact C-N 3.35Å; H627-I630 WeakPolarHBondContact O-CD1 3.33Å; H627-I630 WeakPolarHBondContact O-CG1 3.44Å
628	N	71	Confident	72.5	Confident	142 Å²	142	90.4 Å²	90.4	76%	0.759	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-80.2	-12.8	176.2	-58.6	-70.6	0	0	0	113.7	D626	D626-N628 PolarHBondContact O-N 2.7Å; D626-N628 VanDerWaalsContact O-N 3.13Å; D626-N628 WeakPolarHBondContact OD1-CB 3.49Å; D626-N628 PolarHBondContact OD1-N 3.49Å; D626-N628 PolarHBondContact OD1-ND2 3.26Å
629	L	67.1	Low	71.8	Confident	56 Å²	56	84.7 Å²	84.7	29%	0.293	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-113.9	17.6	-168.9	-75.4	165.6	0	0	0	114.2	D626 H627 T631 Q632 Y633	D626-L629 HydrophobicContact CB-CB 4.44Å; D626-L629 HydrophobicContact CB-CD1 4.07Å; D626-L629 PolarHBondContact O-N 2.95Å; H627-L629 VanDerWaalsContact C-N 3.35Å; L629-T631 PolarHBondContact O-N 3.3Å; L629-Q632 HydrophobicContact CD2-CG 4.37Å; L629-Q632 PolarHBondContact O-N 3.04Å; L629-Y633 HydrophobicContact CB-CD2 4.46Å; L629-Y633 HydrophobicContact CB-CE2 3.65Å; L629-Y633 VanDerWaalsContact O-CD2 3.23Å; L629-Y633 WeakPolarHBondContact O-CD2 3.47Å; L629-Y633 WeakPolarHBondContact O-CE2 3.44Å
630	I	63.5	Low	70.7	Confident	104 Å²	104	85 Å²	85	53%	0.533	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-43.1	-43.4	-176.2	-63.1	162.8	0	0	0	113.5	H627 Q632 Y633	H627-I630 WeakPolarHBondContact O-CD1 3.33Å; H627-I630 WeakPolarHBondContact O-CG1 3.44Å; I630-Q632 PolarHBondContact O-N 3.32Å; I630-Y633 PolarHBondContact O-N 3.31Å
631	T	61.6	Low	69.3	Low	118 Å²	118	90.8 Å²	90.8	72%	0.724	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-69.9	-11	-176.5	53.7	0	0	0	0	114.9	L629	L629-T631 PolarHBondContact O-N 3.3Å
632	Q	61.8	Low	67.5	Low	128 Å²	128	92.3 Å²	92.3	60%	0.598	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-97.1	-13.6	176.8	-59.1	-171.4	7.5	0	0	113.4	L629 I630 D634	L629-Q632 HydrophobicContact CD2-CG 4.37Å; L629-Q632 PolarHBondContact O-N 3.04Å; I630-Q632 PolarHBondContact O-N 3.32Å; Q632-D634 VanDerWaalsContact C-N 3.31Å
633	Y	64.9	Low	65.9	Low	39 Å²	39	95.7 Å²	95.7	15%	0.153	51%	0.51	C	S	.	.	S	Bend	trans	-93.9	20.1	176.4	-57	-77.6	0	0	0	112.7	E624 D626 L629 I630 K692 A693	E624-Y633 PolarHBondContact O-OH 3.42Å; D626-Y633 PolarHBondContact N-OH 3.23Å; L629-Y633 HydrophobicContact CB-CD2 4.46Å; L629-Y633 HydrophobicContact CB-CE2 3.65Å; L629-Y633 VanDerWaalsContact O-CD2 3.23Å; L629-Y633 WeakPolarHBondContact O-CD2 3.47Å; L629-Y633 WeakPolarHBondContact O-CE2 3.44Å; I630-Y633 PolarHBondContact O-N 3.31Å; Y633-K692 HydrophobicContact CD1-CB 4.43Å; Y633-A693 WeakPolarHBondContact O-CB 3.48Å
634	D	68.6	Low	64.1	Low	72 Å²	72	97.8 Å²	97.8	39%	0.385	51%	0.508	S	S	.	.			trans	-79.9	146.4	174.9	-169.7	7.3	0	0	0	110.6	Q632 R636 G691	Q632-D634 VanDerWaalsContact C-N 3.31Å; D634-R636 IonicContact OD2-CZ 3.53Å; D634-R636 IonicContact OD2-NE 3.94Å; D634-R636 PolarHBondContact OD2-NE 3.2Å; D634-R636 IonicContact OD2-NH2 2.79Å; D634-R636 PolarHBondContact OD2-NH2 3.41Å; D634-G691 WeakPolarHBondContact O-CA 3.23Å
635	C	75.3	Confident	62.3	Low	42 Å²	42	97.9 Å²	97.9	28%	0.284	52%	0.52	S	S	.	.			trans	-110.6	107.4	175.4	178.4	0	0	0	0	110	C694	C635-C694 WeakPolarHBondContact CA-SG 3.39Å; C635-C694 HydrophobicContact CB-CB 4.07Å; C635-C694 WeakPolarHBondContact CB-SG 3.46Å; C635-C694 WeakPolarHBondContact SG-CA 3.48Å; C635-C694 WeakPolarHBondContact SG-CB 3.26Å; C635-C694 CovalentContact SG-SG 2.04Å; C635-C694 PolarHBondContact SG-SG 2.88Å
636	R	74	Confident	60.9	Low	149 Å²	149	95.4 Å²	95.4	56%	0.562	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	134	-174.7	-63.7	-174.7	-179.8	162.6	8.4	111.7	D634 V690	D634-R636 IonicContact OD2-CZ 3.53Å; D634-R636 IonicContact OD2-NE 3.94Å; D634-R636 PolarHBondContact OD2-NE 3.2Å; D634-R636 IonicContact OD2-NH2 2.79Å; D634-R636 PolarHBondContact OD2-NH2 3.41Å; R636-V690 PolarHBondContact N-O 3.36Å; R636-V690 PolarHBondContact O-N 3.23Å
637	C	74.9	Confident	59.4	Low	15 Å²	15	98.6 Å²	98.6	10%	0.101	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.9	127.7	164.9	-174	0	0	0	0	109.7	W674 C682 L689	C637-W674 WeakPolarHBondContact CB-O 3.17Å; C637-C682 HydrophobicContact CB-CB 3.73Å; C637-C682 WeakPolarHBondContact CB-SG 3.46Å; C637-C682 WeakPolarHBondContact SG-CB 3.2Å; C637-C682 CovalentContact SG-SG 2.02Å; C637-C682 PolarHBondContact SG-SG 3.41Å; C637-L689 HydrophobicContact CB-CD2 4.35Å
638	V	75.3	Confident	58.1	Low	71 Å²	71	95.7 Å²	95.7	43%	0.43	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.5	145.5	177.4	-173.1	0	0	0	0	108.5	G640 G687 L688 V690	V638-G640 PolarHBondContact O-N 3.25Å; V638-G687 CarbonylContact O-C 3.56Å; V638-G687 WeakPolarHBondContact O-CA 3.5Å; V638-L688 PolarHBondContact N-O 3.13Å; V638-L688 PolarHBondContact O-N 3.23Å; V638-V690 HydrophobicContact CB-CG2 4.43Å; V638-V690 HydrophobicContact CG2-CB 4.34Å; V638-V690 HydrophobicContact CG2-CG2 4.03Å
639	A	68.3	Low	56.9	Low	29 Å²	29	97.1 Å²	97.1	24%	0.24	57%	0.568	C	S	.	*			trans	-56.1	129.7	177	0	0	0	0	0	111.5	F641 W674	A639-F641 PolarHBondContact O-N 2.9Å; A639-F641 VanDerWaalsContact O-N 3.12Å; A639-W674 HydrophobicContact CB-CD2 4.25Å; A639-W674 HydrophobicContact CB-CH2 4.37Å; A639-W674 HydrophobicContact CB-CZ2 3.78Å
640	G	59.9	Low	55.7	Low	31 Å²	31	102.6 Å²	102.6	32%	0.32	60%	0.596	S	S	.	*			trans	-72.5	100.1	177.5	0	0	0	0	0	111.6	V638 V642	V638-G640 PolarHBondContact O-N 3.25Å; G640-V642 PolarHBondContact O-N 3.22Å; G640-V642 VanDerWaalsContact O-N 3.13Å
641	F	55.1	Low	54.3	Low	185 Å²	185	101.3 Å²	101.3	81%	0.811	61%	0.609	S	S	*	*			trans	-69.3	107.4	171	-91.2	-89.2	0	0	0	110.5	A639 P643	A639-F641 PolarHBondContact O-N 2.9Å; A639-F641 VanDerWaalsContact O-N 3.12Å; F641-P643 WeakPolarHBondContact O-CD 3.36Å
642	V	45.1	Very low	53.1	Low	122 Å²	122	103.1 Å²	103.1	74%	0.739	61%	0.614	S	S	*	*			trans	-71.1	118.2	159.4	178.7	0	0	0	0	107.4	G640 Q644	G640-V642 PolarHBondContact O-N 3.22Å; G640-V642 VanDerWaalsContact O-N 3.13Å; V642-Q644 PolarHBondContact O-N 3.27Å
643	P	41.6	Very low	52.6	Low	120 Å²	120	102.5 Å²	102.5	78%	0.779	62%	0.624	S	S	*	*			trans	-73.7	93.6	178.5	29.7	-33.4	0	0	0	110	F641	F641-P643 WeakPolarHBondContact O-CD 3.36Å
644	Q	36.3	Very low	51.6	Low	159 Å²	159	106.4 Å²	106.4	74%	0.743	66%	0.657	S	S	*	*			trans	-71.7	129.1	157.7	-72	-168.5	-0.1	0	0	108.7	V642 G646	V642-Q644 PolarHBondContact O-N 3.27Å; Q644-G646 PolarHBondContact O-N 3.47Å; Q644-G646 VanDerWaalsContact O-N 3.07Å
645	P	35.3	Very low	50.7	Low	139 Å²	139	107.4 Å²	107.4	90%	0.903	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	100.6	176.8	29.4	-32.9	0	0	0	109.9
646	G	42.8	Very low	49.4	Very low	75 Å²	75	111.3 Å²	111.3	77%	0.773	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	168.4	-15	172	0	0	0	0	0	119.7	Q644	Q644-G646 PolarHBondContact O-N 3.47Å; Q644-G646 VanDerWaalsContact O-N 3.07Å
647	T	39	Very low	48.2	Very low	133 Å²	133	105.1 Å²	105.1	82%	0.816	66%	0.661	S	S	*	*			trans	-121.7	132.2	-174.4	38	0	0	0	0	113.6
648	G	38.8	Very low	46.9	Very low	81 Å²	81	111 Å²	111	84%	0.835	69%	0.692	S	S	*	*			trans	-78.4	169	-176.6	0	0	0	0	0	114.6
649	L	46	Very low	45.6	Very low	171 Å²	171	112.4 Å²	112.4	90%	0.895	70%	0.7	S	S	*	*	S	Bend	trans	-62.2	164.1	-173.9	-97.9	130.1	0	0	0	116.6
650	L	42.4	Very low	44.6	Very low	172 Å²	172	115.9 Å²	115.9	90%	0.901	72%	0.723	S	S	*	*			trans	85.5	112.8	164.4	-69.2	130	0	0	0	117.9
651	G	34.2	Very low	44	Very low	77 Å²	77	118 Å²	118	79%	0.794	74%	0.737	S	S	*	*			trans	-166.7	124.5	167.8	0	0	0	0	0	110.7
652	N	35	Very low	44	Very low	155 Å²	155	113 Å²	113	83%	0.829	71%	0.713	S	S	*	*			trans	-57.7	159.6	-168.4	-73.9	-30	0	0	0	116.9
653	S	51	Low	44	Very low	115 Å²	115	112.6 Å²	112.6	80%	0.804	71%	0.711	S	S	*	*	S	Bend	trans	-42.3	152.9	162.4	-43.7	0	0	0	0	114.1
654	S	45	Very low	44.3	Very low	121 Å²	121	114.3 Å²	114.3	85%	0.846	71%	0.714	S	S	*	*			trans	75.5	51.6	179.8	86.7	0	0	0	0	117	L656	S654-L656 PolarHBondContact O-N 2.98Å
655	T	49.6	Very low	44.9	Very low	94 Å²	94	114.4 Å²	114.4	58%	0.577	71%	0.707	S	S	*	*			trans	-68	115	154.8	53.2	0	0	0	0	109.5
656	L	47.7	Very low	45.5	Very low	123 Å²	123	114.7 Å²	114.7	64%	0.644	71%	0.707	S	S	*	*			trans	-56.6	150	161.9	-88.6	162.9	0	0	0	109.8	S654 D658	S654-L656 PolarHBondContact O-N 2.98Å; L656-D658 PolarHBondContact O-N 2.78Å
657	L	49.5	Very low	45.9	Very low	19 Å²	19	118 Å²	118	10%	0.099	71%	0.707	C	S	.	*			trans	-53.8	127.2	169.4	-113.3	57.1	0	0	0	109.6	T659 W662 A672 W674	L657-T659 PolarHBondContact O-N 2.85Å; L657-W662 HydrophobicContact CD1-CZ3 4.23Å; L657-W662 HydrophobicContact CD2-CE3 3.83Å; L657-W662 HydrophobicContact CD2-CZ3 3.45Å; L657-W662 VanDerWaalsContact CD2-CZ3 3.45Å; L657-W662 HydrophobicContact CG-CE3 4.11Å; L657-W662 HydrophobicContact CG-CH2 4.26Å; L657-W662 HydrophobicContact CG-CZ3 3.5Å; L657-W662 VanDerWaalsContact CG-CZ3 3.5Å; L657-A672 HydrophobicContact CD2-CB 3.93Å; L657-W674 HydrophobicContact CD1-CD2 4.41Å; L657-W674 HydrophobicContact CD1-CG 4.42Å
658	D	46.1	Very low	46.6	Very low	139 Å²	139	114.8 Å²	114.8	74%	0.743	68%	0.684	S	S	*	*			trans	-76.6	92.9	178.2	-143.2	-13.2	0	0	0	108.8	L656 S660	L656-D658 PolarHBondContact O-N 2.78Å; D658-S660 PolarHBondContact O-N 2.93Å
659	T	48.9	Very low	47.3	Very low	100 Å²	100	119.2 Å²	119.2	61%	0.613	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-69.9	-5.8	-162.4	37.2	0	0	0	0	115.2	L657 A661 T663	L657-T659 PolarHBondContact O-N 2.85Å; T659-A661 VanDerWaalsContact C-N 3.3Å; T659-A661 PolarHBondContact O-N 3.46Å; T659-T663 WeakPolarHBondContact O-CG2 3.42Å
660	S	47.1	Very low	47.5	Very low	102 Å²	102	120.2 Å²	120.2	71%	0.713	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-71.5	-16.3	-176	62.2	0	0	0	0	115.1	D658	D658-S660 PolarHBondContact O-N 2.93Å
661	A	47.3	Very low	48.1	Very low	76 Å²	76	118.5 Å²	118.5	63%	0.628	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-93.5	-17.7	179.4	0	0	0	0	0	114.5	T659	T659-A661 VanDerWaalsContact C-N 3.3Å; T659-A661 PolarHBondContact O-N 3.46Å
662	W	54.6	Low	49.2	Very low	80 Å²	80	115.3 Å²	115.3	30%	0.303	64%	0.641	S	S	.	*			trans	-120.7	11.7	-158.8	-62.8	-13.8	0	0	0	115.6	L657 N664 W674 F685	L657-W662 HydrophobicContact CD1-CZ3 4.23Å; L657-W662 HydrophobicContact CD2-CE3 3.83Å; L657-W662 HydrophobicContact CD2-CZ3 3.45Å; L657-W662 VanDerWaalsContact CD2-CZ3 3.45Å; L657-W662 HydrophobicContact CG-CE3 4.11Å; L657-W662 HydrophobicContact CG-CH2 4.26Å; L657-W662 HydrophobicContact CG-CZ3 3.5Å; L657-W662 VanDerWaalsContact CG-CZ3 3.5Å; W662-N664 PolarHBondContact O-N 3.49Å; W662-W674 HydrophobicContact CH2-CH2 4.29Å; W662-F685 AromaticContact CD2-CD1 3.9Å; W662-F685 HydrophobicContact CD2-CD1 3.9Å; W662-F685 AromaticContact CD2-CE1 3.94Å; W662-F685 HydrophobicContact CD2-CE1 3.94Å; W662-F685 AromaticContact CE2-CD1 3.5Å; W662-F685 VanDerWaalsContact CE2-CD1 3.5Å; W662-F685 AromaticContact CE2-CE1 3.99Å; W662-F685 HydrophobicContact CE3-CD1 4.15Å; W662-F685 HydrophobicContact CE3-CE1 4.17Å; W662-F685 HydrophobicContact CG-CE1 4.33Å; W662-F685 HydrophobicContact CH2-CB 3.6Å; W662-F685 AromaticContact CH2-CD1 3.79Å; W662-F685 HydrophobicContact CH2-CD1 3.79Å; W662-F685 HydrophobicContact CH2-CD2 4.4Å; W662-F685 AromaticContact CH2-CG 3.69Å; W662-F685 HydrophobicContact CH2-CG 3.69Å; W662-F685 HydrophobicContact CZ2-CB 3.67Å; W662-F685 AromaticContact CZ2-CD1 3.49Å; W662-F685 HydrophobicContact CZ2-CD1 3.49Å; W662-F685 VanDerWaalsContact CZ2-CD1 3.49Å; W662-F685 HydrophobicContact CZ2-CE1 4.37Å; W662-F685 AromaticContact CZ2-CG 3.8Å; W662-F685 HydrophobicContact CZ2-CG 3.8Å; W662-F685 HydrophobicContact CZ3-CB 4.41Å; W662-F685 HydrophobicContact CZ3-CD1 4.05Å; W662-F685 HydrophobicContact CZ3-CD2 4.42Å; W662-F685 HydrophobicContact CZ3-CE1 4.44Å; W662-F685 HydrophobicContact CZ3-CG 4.06Å; W662-F685 AromaticContact NE1-CD1 3.91Å
663	T	45.6	Very low	50.7	Low	113 Å²	113	111 Å²	111	69%	0.693	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	4.8	-171.6	59.5	0	0	0	0	117.1	T659	T659-T663 WeakPolarHBondContact O-CG2 3.42Å
664	N	47.9	Very low	51.4	Low	156 Å²	156	107.9 Å²	107.9	83%	0.834	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	11.2	-175	-79.5	-2.3	0	0	0	115	W662	W662-N664 PolarHBondContact O-N 3.49Å
665	R	48.5	Very low	52.4	Low	162 Å²	162	106.5 Å²	106.5	61%	0.611	59%	0.587	S	S	*	*			trans	-127	127.6	170.7	-73.2	-174.5	178.7	177.5	0	110.7	D667 E684	R665-D667 VanDerWaalsContact C-N 3.32Å; R665-D667 PolarHBondContact O-N 3.17Å; R665-E684 IonicContact CZ-OE1 2.63Å; R665-E684 IonicContact NH1-OE1 3.54Å; R665-E684 PolarHBondContact NH1-OE1 3.26Å; R665-E684 IonicContact NH2-OE1 2.7Å; R665-E684 PolarHBondContact NH2-OE1 3.44Å
666	T	48.9	Very low	53.2	Low	144 Å²	144	105.5 Å²	105.5	88%	0.883	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	8.6	-166.8	46.2	0	0	0	0	116
667	D	50.7	Low	54.2	Low	146 Å²	146	100.5 Å²	100.5	78%	0.781	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	9.9	-168	-71.3	-19.3	0	0	0	114.9	R665	R665-D667 VanDerWaalsContact C-N 3.32Å; R665-D667 PolarHBondContact O-N 3.17Å
668	L	54.2	Low	55.2	Low	65 Å²	65	103.3 Å²	103.3	34%	0.34	58%	0.576	S	S	.	*			trans	-113.7	124	-179.2	-84.3	159.2	0	0	0	112.2	A672 F685	L668-A672 HydrophobicContact CD2-CB 3.97Å; L668-F685 HydrophobicContact CD1-CE2 4.12Å; L668-F685 HydrophobicContact CD1-CZ 3.85Å
669	Q	54.1	Low	56.1	Low	173 Å²	173	101.2 Å²	101.2	81%	0.808	56%	0.562	S	S	*	*			trans	-71.2	139.2	177.6	-164.1	170.5	5.2	0	0	110.4	N671 A672	Q669-N671 PolarHBondContact O-N 2.94Å; Q669-A672 PolarHBondContact O-N 3.17Å
670	E	48.8	Very low	57.1	Low	192 Å²	192	103 Å²	103	90%	0.897	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-7.4	-166.5	-62.8	-173.5	146.5	0	0	116.4
671	N	55.6	Low	58.1	Low	137 Å²	137	101.1 Å²	101.1	73%	0.733	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119	28.5	176.8	-76.6	-30.1	0	0	0	113.3	Q669 T673	Q669-N671 PolarHBondContact O-N 2.94Å; N671-T673 PolarHBondContact O-N 3.44Å
672	A	56.7	Low	59.4	Low	10 Å²	10	97.5 Å²	97.5	8%	0.083	51%	0.513	C	S	.	.			trans	-63.5	131.4	176.4	0	0	0	0	0	112	L657 L668 Q669	L657-A672 HydrophobicContact CD2-CB 3.93Å; L668-A672 HydrophobicContact CD2-CB 3.97Å; Q669-A672 PolarHBondContact O-N 3.17Å
673	T	66.5	Low	60.1	Low	65 Å²	65	100.3 Å²	100.3	40%	0.399	53%	0.527	S	S	.	.			trans	-113.4	161.9	173.5	63.1	0	0	0	0	109.5	N671 A675 S676 L677	N671-T673 PolarHBondContact O-N 3.44Å; T673-A675 PolarHBondContact O-N 3.04Å; T673-S676 PolarHBondContact N-OG 3.49Å; T673-S676 PolarHBondContact O-N 3.44Å; T673-S676 PolarHBondContact O-OG 2.75Å; T673-L677 WeakPolarHBondContact O-CD1 3.46Å
674	W	67.3	Low	61.3	Low	48 Å²	48	99.5 Å²	99.5	18%	0.182	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-52.5	-28.8	176.1	-68.7	97.5	0	0	0	113.5	C637 A639 L657 W662 L677	C637-W674 WeakPolarHBondContact CB-O 3.17Å; A639-W674 HydrophobicContact CB-CD2 4.25Å; A639-W674 HydrophobicContact CB-CH2 4.37Å; A639-W674 HydrophobicContact CB-CZ2 3.78Å; L657-W674 HydrophobicContact CD1-CD2 4.41Å; L657-W674 HydrophobicContact CD1-CG 4.42Å; W662-W674 HydrophobicContact CH2-CH2 4.29Å; W674-L677 HydrophobicContact CE3-CD2 4.39Å
675	A	64	Low	62.3	Low	92 Å²	92	94 Å²	94	76%	0.76	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-77.2	-15.8	176.5	0	0	0	0	0	115	T673	T673-A675 PolarHBondContact O-N 3.04Å
676	S	67.5	Low	63.1	Low	73 Å²	73	88.8 Å²	88.8	51%	0.51	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-96	0.3	176.2	65.2	0	0	0	0	113.7	T673	T673-S676 PolarHBondContact N-OG 3.49Å; T673-S676 PolarHBondContact O-N 3.44Å; T673-S676 PolarHBondContact O-OG 2.75Å
677	L	68.8	Low	64.3	Low	18 Å²	18	82.4 Å²	82.4	9%	0.094	44%	0.444	C	S	.	.	S	Bend	trans	-81.6	136.8	174.5	-87.9	67.4	0	0	0	110.4	T673 W674 Q681 F685	T673-L677 WeakPolarHBondContact O-CD1 3.46Å; W674-L677 HydrophobicContact CE3-CD2 4.39Å; L677-Q681 HydrophobicContact CB-CB 4.28Å; L677-Q681 HydrophobicContact CD2-CB 4.4Å; L677-Q681 HydrophobicContact CG-CB 4.23Å; L677-F685 HydrophobicContact CD2-CB 4.38Å; L677-F685 HydrophobicContact CD2-CD2 3.7Å; L677-F685 HydrophobicContact CD2-CG 4.44Å
678	T	69.6	Low	65.2	Low	78 Å²	78	80.6 Å²	80.6	48%	0.479	43%	0.433	S	S	.	.			trans	-65	158.5	168.6	61.3	0	0	0	0	111.3	H680 Q681 C682	T678-H680 PolarHBondContact O-N 3.04Å; T678-H680 VanDerWaalsContact O-N 3.14Å; T678-Q681 PolarHBondContact O-N 2.89Å; T678-Q681 VanDerWaalsContact O-N 3.13Å; T678-Q681 WeakPolarHBondContact OG1-CB 3.43Å; T678-Q681 VanDerWaalsContact OG1-CG 3.29Å; T678-Q681 WeakPolarHBondContact OG1-CG 3.27Å; T678-Q681 PolarHBondContact OG1-N 3.39Å; T678-Q681 PolarHBondContact OG1-OE1 2.9Å; T678-C682 WeakPolarHBondContact O-CB 3.39Å; T678-C682 PolarHBondContact O-N 3.36Å
679	Q	66.4	Low	66.1	Low	96 Å²	96	79.6 Å²	79.6	45%	0.449	43%	0.428	S	S	.	.	H	α-helix	trans	-54.9	-33.9	179	-164.8	-170.7	21.9	0	0	113.1	K683 L689 C694	Q679-K683 PolarHBondContact O-N 3.45Å; Q679-L689 HydrophobicContact CG-CD1 3.48Å; Q679-L689 VanDerWaalsContact CG-CD1 3.48Å; Q679-L689 HydrophobicContact CG-CD2 3.94Å; Q679-L689 HydrophobicContact CG-CG 4.38Å; Q679-C694 PolarHBondContact NE2-O 2.74Å; Q679-C694 VanDerWaalsContact NE2-O 3.15Å
680	H	68.4	Low	67	Low	137 Å²	137	75.5 Å²	75.5	63%	0.634	42%	0.415	S	S	*	.	H	α-helix	trans	-71.1	-51	175.8	-171.7	-78.7	0	0	0	111.8	T678 C682 K683 E684	T678-H680 PolarHBondContact O-N 3.04Å; T678-H680 VanDerWaalsContact O-N 3.14Å; H680-C682 VanDerWaalsContact C-N 3.27Å; H680-C682 PolarHBondContact O-N 3.25Å; H680-K683 PolarHBondContact O-N 2.9Å; H680-K683 VanDerWaalsContact O-N 3.15Å; H680-E684 IonicContact CE1-OE2 2.95Å; H680-E684 IonicContact ND1-OE2 2.76Å; H680-E684 PolarHBondContact O-N 3.23Å
681	Q	69.7	Low	68.1	Low	62 Å²	62	67.8 Å²	67.8	29%	0.29	39%	0.387	S	S	.	.	H	α-helix	trans	-58	-41.3	176.3	-72.9	162.4	-30.5	0	0	111.1	L677 T678 K683 E684 F685	L677-Q681 HydrophobicContact CB-CB 4.28Å; L677-Q681 HydrophobicContact CD2-CB 4.4Å; L677-Q681 HydrophobicContact CG-CB 4.23Å; T678-Q681 PolarHBondContact O-N 2.89Å; T678-Q681 VanDerWaalsContact O-N 3.13Å; T678-Q681 WeakPolarHBondContact OG1-CB 3.43Å; T678-Q681 VanDerWaalsContact OG1-CG 3.29Å; T678-Q681 WeakPolarHBondContact OG1-CG 3.27Å; T678-Q681 PolarHBondContact OG1-N 3.39Å; T678-Q681 PolarHBondContact OG1-OE1 2.9Å; Q681-K683 VanDerWaalsContact C-N 3.33Å; Q681-K683 PolarHBondContact O-N 2.94Å; Q681-E684 PolarHBondContact O-N 3.18Å; Q681-F685 HydrophobicContact CB-CD2 4.04Å; Q681-F685 HydrophobicContact CB-CE2 4.04Å; Q681-F685 HydrophobicContact CG-CE2 4.33Å; Q681-F685 WeakPolarHBondContact O-CB 3.31Å; Q681-F685 WeakPolarHBondContact O-CD2 3.38Å; Q681-F685 PolarHBondContact O-N 3.17Å
682	C	72.9	Confident	68.6	Low	0 Å²	0	68.3 Å²	68.3	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-52.2	-49.4	174.9	-175.7	0	0	0	0	112.2	C637 T678 H680 G686 G687 L689	C637-C682 HydrophobicContact CB-CB 3.73Å; C637-C682 WeakPolarHBondContact CB-SG 3.46Å; C637-C682 WeakPolarHBondContact SG-CB 3.2Å; C637-C682 CovalentContact SG-SG 2.02Å; C637-C682 PolarHBondContact SG-SG 3.41Å; T678-C682 WeakPolarHBondContact O-CB 3.39Å; T678-C682 PolarHBondContact O-N 3.36Å; H680-C682 VanDerWaalsContact C-N 3.27Å; H680-C682 PolarHBondContact O-N 3.25Å; C682-G686 PolarHBondContact O-N 3.46Å; C682-G687 WeakPolarHBondContact O-CA 3.33Å; C682-G687 PolarHBondContact O-N 3.34Å; C682-L689 HydrophobicContact CB-CD2 4.04Å; C682-L689 VanDerWaalsContact SG-CD2 3.57Å
683	K	70.9	Confident	69.1	Low	140 Å²	140	69.1 Å²	69.1	61%	0.609	39%	0.389	S	S	*	.	H	α-helix	trans	-68.7	-41.2	177.9	-69.4	-177.6	-178.4	178.5	0	112.4	Q679 H680 Q681 F685 G686 L689	Q679-K683 PolarHBondContact O-N 3.45Å; H680-K683 PolarHBondContact O-N 2.9Å; H680-K683 VanDerWaalsContact O-N 3.15Å; Q681-K683 VanDerWaalsContact C-N 3.33Å; Q681-K683 PolarHBondContact O-N 2.94Å; K683-F685 VanDerWaalsContact C-N 3.26Å; K683-F685 PolarHBondContact O-N 2.88Å; K683-G686 PolarHBondContact O-N 2.94Å; K683-L689 HydrophobicContact CD-CD1 4.34Å; K683-L689 HydrophobicContact CG-CD1 4.15Å
684	E	70	Confident	69.2	Low	96 Å²	96	66.7 Å²	66.7	45%	0.449	38%	0.375	S	S	.	.	H	α-helix	trans	-63.2	-33.2	178.7	-167	176.4	172.2	0	0	112.2	R665 H680 Q681	R665-E684 IonicContact CZ-OE1 2.63Å; R665-E684 IonicContact NH1-OE1 3.54Å; R665-E684 PolarHBondContact NH1-OE1 3.26Å; R665-E684 IonicContact NH2-OE1 2.7Å; R665-E684 PolarHBondContact NH2-OE1 3.44Å; H680-E684 IonicContact CE1-OE2 2.95Å; H680-E684 IonicContact ND1-OE2 2.76Å; H680-E684 PolarHBondContact O-N 3.23Å; Q681-E684 PolarHBondContact O-N 3.18Å
685	F	68	Low	69	Low	40 Å²	40	71.4 Å²	71.4	18%	0.175	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	11	176.3	-65.7	-58.1	0	0	0	114.3	W662 L668 L677 Q681 K683 G687	W662-F685 AromaticContact CD2-CD1 3.9Å; W662-F685 HydrophobicContact CD2-CD1 3.9Å; W662-F685 AromaticContact CD2-CE1 3.94Å; W662-F685 HydrophobicContact CD2-CE1 3.94Å; W662-F685 AromaticContact CE2-CD1 3.5Å; W662-F685 VanDerWaalsContact CE2-CD1 3.5Å; W662-F685 AromaticContact CE2-CE1 3.99Å; W662-F685 HydrophobicContact CE3-CD1 4.15Å; W662-F685 HydrophobicContact CE3-CE1 4.17Å; W662-F685 HydrophobicContact CG-CE1 4.33Å; W662-F685 HydrophobicContact CH2-CB 3.6Å; W662-F685 AromaticContact CH2-CD1 3.79Å; W662-F685 HydrophobicContact CH2-CD1 3.79Å; W662-F685 HydrophobicContact CH2-CD2 4.4Å; W662-F685 AromaticContact CH2-CG 3.69Å; W662-F685 HydrophobicContact CH2-CG 3.69Å; W662-F685 HydrophobicContact CZ2-CB 3.67Å; W662-F685 AromaticContact CZ2-CD1 3.49Å; W662-F685 HydrophobicContact CZ2-CD1 3.49Å; W662-F685 VanDerWaalsContact CZ2-CD1 3.49Å; W662-F685 HydrophobicContact CZ2-CE1 4.37Å; W662-F685 AromaticContact CZ2-CG 3.8Å; W662-F685 HydrophobicContact CZ2-CG 3.8Å; W662-F685 HydrophobicContact CZ3-CB 4.41Å; W662-F685 HydrophobicContact CZ3-CD1 4.05Å; W662-F685 HydrophobicContact CZ3-CD2 4.42Å; W662-F685 HydrophobicContact CZ3-CE1 4.44Å; W662-F685 HydrophobicContact CZ3-CG 4.06Å; W662-F685 AromaticContact NE1-CD1 3.91Å; L668-F685 HydrophobicContact CD1-CE2 4.12Å; L668-F685 HydrophobicContact CD1-CZ 3.85Å; L677-F685 HydrophobicContact CD2-CB 4.38Å; L677-F685 HydrophobicContact CD2-CD2 3.7Å; L677-F685 HydrophobicContact CD2-CG 4.44Å; Q681-F685 HydrophobicContact CB-CD2 4.04Å; Q681-F685 HydrophobicContact CB-CE2 4.04Å; Q681-F685 HydrophobicContact CG-CE2 4.33Å; Q681-F685 WeakPolarHBondContact O-CB 3.31Å; Q681-F685 WeakPolarHBondContact O-CD2 3.38Å; Q681-F685 PolarHBondContact O-N 3.17Å; K683-F685 VanDerWaalsContact C-N 3.26Å; K683-F685 PolarHBondContact O-N 2.88Å; F685-G687 PolarHBondContact O-N 3.27Å
686	G	67.2	Low	69.2	Low	52 Å²	52	69.6 Å²	69.6	54%	0.536	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	17.2	173	0	0	0	0	0	116.1	C682 K683	C682-G686 PolarHBondContact O-N 3.46Å; K683-G686 PolarHBondContact O-N 2.94Å
687	G	72.1	Confident	69.3	Low	11 Å²	11	69.9 Å²	69.9	11%	0.113	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-75.4	150.7	173.3	0	0	0	0	0	113.5	V638 C682 F685	V638-G687 CarbonylContact O-C 3.56Å; V638-G687 WeakPolarHBondContact O-CA 3.5Å; C682-G687 WeakPolarHBondContact O-CA 3.33Å; C682-G687 PolarHBondContact O-N 3.34Å; F685-G687 PolarHBondContact O-N 3.27Å
688	L	70.7	Confident	69.3	Low	107 Å²	107	72.2 Å²	72.2	56%	0.56	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.9	170.9	-76.9	165.9	0	0	0	109.9	V638	V638-L688 PolarHBondContact N-O 3.13Å; V638-L688 PolarHBondContact O-N 3.23Å
689	L	72.4	Confident	69.8	Low	45 Å²	45	72.8 Å²	72.8	24%	0.236	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.6	173.3	-66.6	168.7	0	0	0	109.5	C637 Q679 C682 K683 C694	C637-L689 HydrophobicContact CB-CD2 4.35Å; Q679-L689 HydrophobicContact CG-CD1 3.48Å; Q679-L689 VanDerWaalsContact CG-CD1 3.48Å; Q679-L689 HydrophobicContact CG-CD2 3.94Å; Q679-L689 HydrophobicContact CG-CG 4.38Å; C682-L689 HydrophobicContact CB-CD2 4.04Å; C682-L689 VanDerWaalsContact SG-CD2 3.57Å; K683-L689 HydrophobicContact CD-CD1 4.34Å; K683-L689 HydrophobicContact CG-CD1 4.15Å; L689-C694 HydrophobicContact CB-CB 4.23Å
690	V	73	Confident	70.8	Confident	86 Å²	86	68.9 Å²	68.9	52%	0.521	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119.4	-176	-175.3	0	0	0	0	109.6	R636 V638	R636-V690 PolarHBondContact N-O 3.36Å; R636-V690 PolarHBondContact O-N 3.23Å; V638-V690 HydrophobicContact CB-CG2 4.43Å; V638-V690 HydrophobicContact CG2-CB 4.34Å; V638-V690 HydrophobicContact CG2-CG2 4.03Å
691	G	71.9	Confident	71.7	Confident	30 Å²	30	62.7 Å²	62.7	31%	0.309	35%	0.346	S	S	.	.	S	Bend	trans	148.4	146.9	176.7	0	0	0	0	0	113	D634 A693 C694	D634-G691 WeakPolarHBondContact O-CA 3.23Å; G691-A693 PolarHBondContact O-N 3.4Å; G691-C694 WeakPolarHBondContact O-CB 3.48Å; G691-C694 PolarHBondContact O-N 3.01Å; G691-C694 VanDerWaalsContact O-N 3.09Å
692	K	67.1	Low	72.6	Confident	148 Å²	148	63.9 Å²	63.9	64%	0.643	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.5	-178.5	-77.6	-169.6	174.4	-170.7	0	113.9	Y633	Y633-K692 HydrophobicContact CD1-CB 4.43Å
693	A	67.4	Low	73.5	Confident	27 Å²	27	64.6 Å²	64.6	22%	0.223	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-4.6	177.2	0	0	0	0	0	114.2	Y633 G691 D695 Y696	Y633-A693 WeakPolarHBondContact O-CB 3.48Å; G691-A693 PolarHBondContact O-N 3.4Å; A693-D695 PolarHBondContact O-N 3.04Å; A693-Y696 PolarHBondContact O-N 3.43Å
694	C	67.4	Low	74.5	Confident	15 Å²	15	58 Å²	58	10%	0.101	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.3	178.4	-65.4	0	0	0	0	113.5	C635 Q679 L689 G691	C635-C694 WeakPolarHBondContact CA-SG 3.39Å; C635-C694 HydrophobicContact CB-CB 4.07Å; C635-C694 WeakPolarHBondContact CB-SG 3.46Å; C635-C694 WeakPolarHBondContact SG-CA 3.48Å; C635-C694 WeakPolarHBondContact SG-CB 3.26Å; C635-C694 CovalentContact SG-SG 2.04Å; C635-C694 PolarHBondContact SG-SG 2.88Å; Q679-C694 PolarHBondContact NE2-O 2.74Å; Q679-C694 VanDerWaalsContact NE2-O 3.15Å; L689-C694 HydrophobicContact CB-CB 4.23Å; G691-C694 WeakPolarHBondContact O-CB 3.48Å; G691-C694 PolarHBondContact O-N 3.01Å; G691-C694 VanDerWaalsContact O-N 3.09Å
695	D	64.3	Low	75.5	Confident	146 Å²	146	56.9 Å²	56.9	78%	0.781	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-0.2	-179.7	-58.2	-39.6	0	0	0	113.2	A693	A693-D695 PolarHBondContact O-N 3.04Å
696	Y	67.9	Low	76.7	Confident	55 Å²	55	59.9 Å²	59.9	22%	0.216	34%	0.339	C	S	.	.			trans	-128.6	127.4	-172.8	169.8	-118.5	0	0	0	111.5	P620 N622 A693 P698	P620-Y696 WeakPolarHBondContact O-CD2 3.36Å; P620-Y696 WeakPolarHBondContact O-CE2 3.39Å; N622-Y696 HydrophobicContact CB-CD1 3.94Å; N622-Y696 HydrophobicContact CB-CD2 4.23Å; N622-Y696 HydrophobicContact CB-CE1 3.69Å; N622-Y696 HydrophobicContact CB-CE2 4.02Å; N622-Y696 HydrophobicContact CB-CG 4.18Å; A693-Y696 PolarHBondContact O-N 3.43Å; Y696-P698 HydrophobicContact CE1-CB 3.82Å; Y696-P698 VanDerWaalsContact CZ-CA 3.46Å; Y696-P698 WeakPolarHBondContact OH-CA 3.5Å
697	V	68.3	Low	77.9	Confident	78 Å²	78	57.4 Å²	57.4	47%	0.473	31%	0.314	S	S	.	.			trans	-110.2	119.1	168.5	-169.8	0	0	0	0	108.7	I700	V697-I700 HydrophobicContact CB-CD1 3.91Å; V697-I700 HydrophobicContact CG1-CD1 3.42Å; V697-I700 VanDerWaalsContact CG1-CD1 3.42Å; V697-I700 HydrophobicContact CG1-CG1 4.14Å
698	P	70.1	Confident	78.9	Confident	67 Å²	67	56.9 Å²	56.9	44%	0.435	31%	0.309	S	S	.	.	S	Bend	trans	-66.2	153.3	-174.1	24.5	-32.6	0	0	0	114	Y696 I700	Y696-P698 HydrophobicContact CE1-CB 3.82Å; Y696-P698 VanDerWaalsContact CZ-CA 3.46Å; Y696-P698 WeakPolarHBondContact OH-CA 3.5Å; P698-I700 PolarHBondContact O-N 2.9Å
699	D	80.6	Confident	80.1	Confident	91 Å²	91	55.7 Å²	55.7	49%	0.487	30%	0.303	S	S	.	.	S	Bend	trans	60.3	-14.4	166.2	-53.6	-38.3	0	0	0	118.9	T701 L702 M703	D699-T701 VanDerWaalsContact C-N 3.28Å; D699-T701 PolarHBondContact O-N 3.21Å; D699-L702 PolarHBondContact O-N 3.5Å; D699-L702 VanDerWaalsContact O-N 3.15Å; D699-M703 WeakPolarHBondContact O-CB 3.43Å; D699-M703 PolarHBondContact O-N 3.29Å
700	I	86.4	Confident	81.2	Confident	13 Å²	13	54.2 Å²	54.2	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-52.9	-44.5	179	-65.1	178	0	0	0	111.6	N619 V697 P698 S704 V756 D757	N619-I700 WeakPolarHBondContact ND2-CG2 3.23Å; V697-I700 HydrophobicContact CB-CD1 3.91Å; V697-I700 HydrophobicContact CG1-CD1 3.42Å; V697-I700 VanDerWaalsContact CG1-CD1 3.42Å; V697-I700 HydrophobicContact CG1-CG1 4.14Å; P698-I700 PolarHBondContact O-N 2.9Å; I700-S704 VanDerWaalsContact O-CB 3.23Å; I700-S704 WeakPolarHBondContact O-CB 3.38Å; I700-S704 PolarHBondContact O-N 3.05Å; I700-S704 PolarHBondContact O-OG 3.49Å; I700-V756 HydrophobicContact CG1-CG1 3.96Å; I700-D757 WeakPolarHBondContact CD1-O 3.38Å
701	T	87.6	Confident	82.1	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.043	27%	0.273	C	S	.	.	H	α-helix	trans	-69.4	-40.8	-178	-70.3	0	0	0	0	112.2	A616 N619 I621 D699 S704 F705	A616-T701 HydrophobicContact CB-CG2 3.62Å; N619-T701 WeakPolarHBondContact CB-OG1 3.22Å; N619-T701 PolarHBondContact O-OG1 3.13Å; I621-T701 HydrophobicContact CD1-CG2 4.01Å; I621-T701 HydrophobicContact CG1-CG2 4.1Å; D699-T701 VanDerWaalsContact C-N 3.28Å; D699-T701 PolarHBondContact O-N 3.21Å; T701-S704 PolarHBondContact O-N 3.42Å; T701-F705 HydrophobicContact CG2-CD2 3.98Å; T701-F705 HydrophobicContact CG2-CE2 3.87Å; T701-F705 VanDerWaalsContact O-CD2 3.26Å; T701-F705 WeakPolarHBondContact O-CD2 3.35Å; T701-F705 PolarHBondContact O-N 3.24Å
702	L	89.3	Confident	83	Confident	88 Å²	88	51.4 Å²	51.4	46%	0.461	27%	0.269	S	S	.	.	H	α-helix	trans	-64.9	-47.5	176.3	-67.4	175.7	0	0	0	110.9	I621 D699 S704 F705 I706	I621-L702 HydrophobicContact CD1-CD2 3.74Å; I621-L702 HydrophobicContact CD1-CG 3.99Å; D699-L702 PolarHBondContact O-N 3.5Å; D699-L702 VanDerWaalsContact O-N 3.15Å; L702-S704 VanDerWaalsContact C-N 3.31Å; L702-S704 PolarHBondContact O-N 3.43Å; L702-F705 PolarHBondContact O-N 3Å; L702-I706 WeakPolarHBondContact O-CG1 3.28Å; L702-I706 PolarHBondContact O-N 2.9Å
703	M	90.9	Very high	84.3	Confident	15 Å²	15	48.3 Å²	48.3	7%	0.074	26%	0.263	C	S	.	.	H	α-helix	trans	-59	-42.3	175	-177	56.4	172.8	0	0	111.5	D699 F705 I706 L707 I750 D751 V754 V756 T758	D699-M703 WeakPolarHBondContact O-CB 3.43Å; D699-M703 PolarHBondContact O-N 3.29Å; M703-F705 PolarHBondContact O-N 3.31Å; M703-I706 PolarHBondContact O-N 2.86Å; M703-L707 HydrophobicContact CE-CD1 4.19Å; M703-L707 HydrophobicContact CE-CD2 3.99Å; M703-L707 HydrophobicContact CE-CG 4.08Å; M703-L707 HydrophobicContact CG-CD1 4.33Å; M703-L707 HydrophobicContact CG-CG 4.49Å; M703-L707 WeakPolarHBondContact O-CG 3.46Å; M703-L707 PolarHBondContact O-N 3.37Å; M703-L707 HydrophobicContact SD-CG 4.35Å; M703-I750 HydrophobicContact CE-CG2 4.36Å; M703-D751 HydrophobicContact CE-CB 4.48Å; M703-V754 HydrophobicContact CE-CB 3.69Å; M703-V754 HydrophobicContact CE-CG1 3.8Å; M703-V754 HydrophobicContact CE-CG2 3.94Å; M703-V754 HydrophobicContact SD-CG1 4.08Å; M703-V756 HydrophobicContact CB-CG1 4.46Å; M703-V756 HydrophobicContact CG-CB 4.46Å; M703-T758 HydrophobicContact CG-CG2 3.84Å
704	S	91	Very high	85.6	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.007	26%	0.261	C	S	.	.	H	α-helix	trans	-60.6	-41.1	176.6	-62.7	0	0	0	0	112.3	M612 I700 T701 L702 F708 P911	M612-S704 WeakPolarHBondContact CE-O 3.27Å; I700-S704 VanDerWaalsContact O-CB 3.23Å; I700-S704 WeakPolarHBondContact O-CB 3.38Å; I700-S704 PolarHBondContact O-N 3.05Å; I700-S704 PolarHBondContact O-OG 3.49Å; T701-S704 PolarHBondContact O-N 3.42Å; L702-S704 VanDerWaalsContact C-N 3.31Å; L702-S704 PolarHBondContact O-N 3.43Å; S704-F708 WeakPolarHBondContact O-CB 3.41Å; S704-F708 PolarHBondContact O-N 2.97Å; S704-P911 WeakPolarHBondContact O-CB 3.45Å; S704-P911 WeakPolarHBondContact OG-CG 3.4Å
705	F	92.4	Very high	86.5	Confident	73 Å²	73	47.6 Å²	47.6	32%	0.32	26%	0.256	S	S	.	.	H	α-helix	trans	-67.2	-37.4	175.4	-85.8	-70.1	0	0	0	112.9	M612 A616 T701 L702 M703 F708 L709	M612-F705 HydrophobicContact CB-CE1 4.41Å; M612-F705 HydrophobicContact CE-CD1 3.79Å; M612-F705 HydrophobicContact CE-CD2 4.37Å; M612-F705 HydrophobicContact CE-CE1 4Å; M612-F705 HydrophobicContact CE-CG 3.98Å; M612-F705 HydrophobicContact CE-CZ 4.37Å; A616-F705 HydrophobicContact CB-CE2 4.06Å; A616-F705 HydrophobicContact CB-CZ 4.48Å; T701-F705 HydrophobicContact CG2-CD2 3.98Å; T701-F705 HydrophobicContact CG2-CE2 3.87Å; T701-F705 VanDerWaalsContact O-CD2 3.26Å; T701-F705 WeakPolarHBondContact O-CD2 3.35Å; T701-F705 PolarHBondContact O-N 3.24Å; L702-F705 PolarHBondContact O-N 3Å; M703-F705 PolarHBondContact O-N 3.31Å; F705-F708 PolarHBondContact O-N 3.49Å; F705-L709 WeakPolarHBondContact O-CB 3.34Å; F705-L709 PolarHBondContact O-N 3.31Å
706	I	93.4	Very high	87.7	Confident	102 Å²	102	43 Å²	43	52%	0.523	23%	0.231	S	C	.	.	H	α-helix	trans	-62.4	-49.4	174.5	-66.8	166.2	0	0	0	110.3	L702 M703 F708 G710	L702-I706 WeakPolarHBondContact O-CG1 3.28Å; L702-I706 PolarHBondContact O-N 2.9Å; M703-I706 PolarHBondContact O-N 2.86Å; I706-F708 PolarHBondContact O-N 3.08Å; I706-G710 WeakPolarHBondContact O-CA 3.48Å; I706-G710 PolarHBondContact O-N 2.69Å
707	L	92.6	Very high	88.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-42.8	177.2	-69.7	178.5	0	0	0	112.3	M703 T711 F747 D751 T758 P909 P911 V912	M703-L707 HydrophobicContact CE-CD1 4.19Å; M703-L707 HydrophobicContact CE-CD2 3.99Å; M703-L707 HydrophobicContact CE-CG 4.08Å; M703-L707 HydrophobicContact CG-CD1 4.33Å; M703-L707 HydrophobicContact CG-CG 4.49Å; M703-L707 WeakPolarHBondContact O-CG 3.46Å; M703-L707 PolarHBondContact O-N 3.37Å; M703-L707 HydrophobicContact SD-CG 4.35Å; L707-T711 WeakPolarHBondContact O-CB 3.49Å; L707-T711 PolarHBondContact O-N 3.23Å; L707-T711 PolarHBondContact O-OG1 2.63Å; L707-F747 HydrophobicContact CD2-CB 4.15Å; L707-F747 HydrophobicContact CD2-CD1 3.96Å; L707-D751 HydrophobicContact CD1-CB 4.32Å; L707-D751 HydrophobicContact CD2-CB 4.42Å; L707-T758 HydrophobicContact CD1-CG2 4.1Å; L707-P909 HydrophobicContact CD1-CB 4.32Å; L707-P909 HydrophobicContact CD1-CG 4.12Å; L707-P911 HydrophobicContact CB-CB 4.13Å; L707-V912 HydrophobicContact CB-CG2 3.98Å; L707-V912 HydrophobicContact CD1-CG2 4.44Å; L707-V912 HydrophobicContact CD2-CG2 4.18Å; L707-V912 HydrophobicContact CG-CG2 4.44Å
708	F	92.9	Very high	89.7	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-57	179.7	173.2	-108.3	0	0	0	112.7	A608 F609 M612 S704 F705 I706 T711 Y712 P911 Y914 G915 L918	A608-F708 HydrophobicContact CB-CE2 4.33Å; F609-F708 HydrophobicContact CD1-CE1 4.1Å; F609-F708 HydrophobicContact CD1-CZ 4.17Å; F609-F708 AromaticContact CE1-CE1 3.79Å; F609-F708 HydrophobicContact CE1-CE1 3.79Å; F609-F708 HydrophobicContact CE1-CZ 4.1Å; F609-F708 HydrophobicContact CZ-CE1 4.44Å; M612-F708 HydrophobicContact CE-CB 3.73Å; M612-F708 HydrophobicContact CE-CD1 4.29Å; M612-F708 HydrophobicContact CE-CG 4Å; M612-F708 HydrophobicContact CG-CB 4.38Å; M612-F708 HydrophobicContact CG-CD1 3.96Å; M612-F708 HydrophobicContact CG-CD2 3.53Å; M612-F708 HydrophobicContact CG-CE1 4.08Å; M612-F708 HydrophobicContact CG-CE2 3.65Å; M612-F708 HydrophobicContact CG-CG 3.7Å; M612-F708 HydrophobicContact CG-CZ 3.92Å; M612-F708 HydrophobicContact SD-CB 3.8Å; M612-F708 HydrophobicContact SD-CD1 4.45Å; M612-F708 HydrophobicContact SD-CD2 3.82Å; M612-F708 HydrophobicContact SD-CG 3.79Å; S704-F708 WeakPolarHBondContact O-CB 3.41Å; S704-F708 PolarHBondContact O-N 2.97Å; F705-F708 PolarHBondContact O-N 3.49Å; I706-F708 PolarHBondContact O-N 3.08Å; F708-T711 PolarHBondContact O-N 3.06Å; F708-Y712 PolarHBondContact O-N 3.38Å; F708-P911 WeakPolarHBondContact CA-O 3.45Å; F708-Y914 VanDerWaalsContact CE2-C 3.48Å; F708-Y914 WeakPolarHBondContact CE2-O 3.05Å; F708-G915 VanDerWaalsContact CD2-N 3.33Å; F708-G915 WeakPolarHBondContact O-CA 3.48Å; F708-L918 HydrophobicContact CE1-CD2 4.11Å; F708-L918 HydrophobicContact CE2-CB 4.26Å; F708-L918 HydrophobicContact CE2-CD2 4.42Å; F708-L918 HydrophobicContact CZ-CB 4.26Å; F708-L918 HydrophobicContact CZ-CD2 3.73Å
709	L	94.8	Very high	90.3	Very high	83 Å²	83	39.8 Å²	39.8	44%	0.435	22%	0.217	S	C	.	.	H	α-helix	trans	-72.4	-34.8	-178.3	-66.3	178.8	0	0	0	112.1	F705 Y712 T713	F705-L709 WeakPolarHBondContact O-CB 3.34Å; F705-L709 PolarHBondContact O-N 3.31Å; L709-Y712 PolarHBondContact O-N 3.39Å; L709-T713 WeakPolarHBondContact O-CB 3.39Å; L709-T713 WeakPolarHBondContact O-CG2 3.46Å; L709-T713 PolarHBondContact O-N 3.01Å; L709-T713 PolarHBondContact O-OG1 3.28Å
710	G	94.9	Very high	90.5	Very high	14 Å²	14	42.1 Å²	42.1	14%	0.144	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-46.4	173.7	0	0	0	0	0	111.8	I706 Y712 T713 C714 F747	I706-G710 WeakPolarHBondContact O-CA 3.48Å; I706-G710 PolarHBondContact O-N 2.69Å; G710-Y712 PolarHBondContact O-N 3.39Å; G710-T713 PolarHBondContact O-N 2.86Å; G710-T713 PolarHBondContact O-OG1 3.31Å; G710-C714 WeakPolarHBondContact O-CB 3.47Å; G710-C714 PolarHBondContact O-N 3.49Å; G710-F747 VanDerWaalsContact CA-CZ 3.43Å; G710-F747 VanDerWaalsContact O-CE2 3.31Å; G710-F747 WeakPolarHBondContact O-CE2 3.3Å; G710-F747 WeakPolarHBondContact O-CZ 3.34Å
711	T	92	Very high	90.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-44.2	178	-61.8	0	0	0	0	111.8	L707 F708 S715 T743 V912 V916	L707-T711 WeakPolarHBondContact O-CB 3.49Å; L707-T711 PolarHBondContact O-N 3.23Å; L707-T711 PolarHBondContact O-OG1 2.63Å; F708-T711 PolarHBondContact O-N 3.06Å; T711-S715 VanDerWaalsContact O-CB 3.27Å; T711-S715 WeakPolarHBondContact O-CB 3.27Å; T711-S715 PolarHBondContact O-N 3.36Å; T711-S715 PolarHBondContact O-OG 3.27Å; T711-T743 HydrophobicContact CG2-CG2 3.9Å; T711-T743 WeakPolarHBondContact O-CG2 3.3Å; T711-V912 HydrophobicContact CG2-CG1 3.99Å; T711-V912 WeakPolarHBondContact CG2-O 3.46Å; T711-V916 HydrophobicContact CG2-CG2 3.61Å
712	Y	92.6	Very high	90	Very high	57 Å²	57	47.3 Å²	47.3	22%	0.224	24%	0.244	C	C	.	.	H	α-helix	trans	-61.5	-51.5	176.2	167.9	-108	0	0	0	112.4	F708 L709 G710 S715 M716 L918 V922	F708-Y712 PolarHBondContact O-N 3.38Å; L709-Y712 PolarHBondContact O-N 3.39Å; G710-Y712 PolarHBondContact O-N 3.39Å; Y712-S715 PolarHBondContact O-N 2.93Å; Y712-M716 WeakPolarHBondContact O-CB 3.42Å; Y712-M716 PolarHBondContact O-N 3.06Å; Y712-L918 HydrophobicContact CD1-CD2 4.09Å; Y712-L918 HydrophobicContact CD2-CB 4.25Å; Y712-L918 HydrophobicContact CD2-CD2 3.91Å; Y712-L918 HydrophobicContact CD2-CG 3.75Å; Y712-L918 HydrophobicContact CE2-CD2 4.4Å; Y712-L918 HydrophobicContact CE2-CG 4.09Å; Y712-L918 HydrophobicContact CG-CD2 3.74Å; Y712-L918 HydrophobicContact CG-CG 4.12Å; Y712-V922 HydrophobicContact CE2-CB 4.22Å; Y712-V922 HydrophobicContact CE2-CG2 4.08Å
713	T	93.9	Very high	89.4	Confident	82 Å²	82	48.6 Å²	48.6	50%	0.503	26%	0.256	S	S	.	.	H	α-helix	trans	-66.6	-42.2	-175.7	50.7	0	0	0	0	112.2	L709 G710 M716 A717	L709-T713 WeakPolarHBondContact O-CB 3.39Å; L709-T713 WeakPolarHBondContact O-CG2 3.46Å; L709-T713 PolarHBondContact O-N 3.01Å; L709-T713 PolarHBondContact O-OG1 3.28Å; G710-T713 PolarHBondContact O-N 2.86Å; G710-T713 PolarHBondContact O-OG1 3.31Å; T713-M716 PolarHBondContact O-N 3.3Å; T713-A717 WeakPolarHBondContact O-CB 3.45Å; T713-A717 PolarHBondContact O-N 2.94Å
714	C	93.7	Very high	88.9	Confident	28 Å²	28	49.1 Å²	49.1	19%	0.189	26%	0.261	C	S	.	.	H	α-helix	trans	-65.4	-44.2	176.3	-173.3	0	0	0	0	112	G710 M716 A717 L718 T743 F747	G710-C714 WeakPolarHBondContact O-CB 3.47Å; G710-C714 PolarHBondContact O-N 3.49Å; C714-M716 VanDerWaalsContact C-N 3.31Å; C714-M716 PolarHBondContact O-N 2.98Å; C714-A717 PolarHBondContact O-N 3.06Å; C714-L718 WeakPolarHBondContact O-CB 3.42Å; C714-L718 WeakPolarHBondContact O-CG 3.47Å; C714-L718 PolarHBondContact O-N 3.23Å; C714-T743 HydrophobicContact CB-CG2 3.72Å; C714-F747 HydrophobicContact CB-CE2 3.78Å; C714-F747 HydrophobicContact CB-CZ 4.42Å
715	S	87.6	Confident	88.6	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.1	-43.8	175	-61.6	0	0	0	0	111.7	T711 Y712 K719	T711-S715 VanDerWaalsContact O-CB 3.27Å; T711-S715 WeakPolarHBondContact O-CB 3.27Å; T711-S715 PolarHBondContact O-N 3.36Å; T711-S715 PolarHBondContact O-OG 3.27Å; Y712-S715 PolarHBondContact O-N 2.93Å; S715-K719 WeakPolarHBondContact O-CB 3.41Å; S715-K719 WeakPolarHBondContact O-CG 3.3Å; S715-K719 PolarHBondContact O-N 3.49Å
716	M	88.3	Confident	88	Confident	50 Å²	50	65.5 Å²	65.5	25%	0.246	33%	0.326	C	S	.	.	H	α-helix	trans	-68.3	-38.1	178.4	-165.5	61.8	168.2	0	0	112.3	Y712 T713 C714 K719 K720 Y919	Y712-M716 WeakPolarHBondContact O-CB 3.42Å; Y712-M716 PolarHBondContact O-N 3.06Å; T713-M716 PolarHBondContact O-N 3.3Å; C714-M716 VanDerWaalsContact C-N 3.31Å; C714-M716 PolarHBondContact O-N 2.98Å; M716-K719 PolarHBondContact O-N 2.74Å; M716-K720 WeakPolarHBondContact O-CB 3.11Å; M716-K720 WeakPolarHBondContact O-CG 3.48Å; M716-K720 PolarHBondContact O-N 3.27Å; M716-Y919 HydrophobicContact SD-CD2 4.49Å; M716-Y919 HydrophobicContact SD-CE2 4.31Å
717	A	90.4	Very high	87.5	Confident	61 Å²	61	65.7 Å²	65.7	50%	0.504	32%	0.323	S	S	.	.	H	α-helix	trans	-65.4	-47.5	175.9	0	0	0	0	0	111.9	T713 C714 K719 K720 F721	T713-A717 WeakPolarHBondContact O-CB 3.45Å; T713-A717 PolarHBondContact O-N 2.94Å; C714-A717 PolarHBondContact O-N 3.06Å; A717-K719 VanDerWaalsContact C-N 3.28Å; A717-K719 PolarHBondContact O-N 3.07Å; A717-K720 PolarHBondContact O-N 3.08Å; A717-F721 PolarHBondContact O-N 3.47Å
718	L	88.4	Confident	87.1	Confident	29 Å²	29	69.4 Å²	69.4	15%	0.152	35%	0.348	C	S	.	.	H	α-helix	trans	-66.7	-26.1	177.7	-69.5	169.2	0	0	0	113.1	C714 F721 I735 A739 L742 T743	C714-L718 WeakPolarHBondContact O-CB 3.42Å; C714-L718 WeakPolarHBondContact O-CG 3.47Å; C714-L718 PolarHBondContact O-N 3.23Å; L718-F721 WeakPolarHBondContact O-CB 3.48Å; L718-I735 HydrophobicContact CD2-CG2 3.91Å; L718-A739 HydrophobicContact CB-CB 3.52Å; L718-A739 HydrophobicContact CD1-CB 4.5Å; L718-L742 HydrophobicContact CD1-CB 4.43Å; L718-L742 HydrophobicContact CD1-CD2 3.63Å; L718-L742 HydrophobicContact CD2-CD2 4.14Å; L718-T743 WeakPolarHBondContact CD1-OG1 3.37Å
719	K	82.5	Confident	86.3	Confident	42 Å²	42	74.2 Å²	74.2	18%	0.183	38%	0.377	C	S	.	.	H	α-helix	trans	-78.9	-42.1	170.2	-76	-74.7	-171.7	-164.3	0	112.7	S715 M716 A717 F721 K722 S736 A739 Y919	S715-K719 WeakPolarHBondContact O-CB 3.41Å; S715-K719 WeakPolarHBondContact O-CG 3.3Å; S715-K719 PolarHBondContact O-N 3.49Å; M716-K719 PolarHBondContact O-N 2.74Å; A717-K719 VanDerWaalsContact C-N 3.28Å; A717-K719 PolarHBondContact O-N 3.07Å; K719-F721 PolarHBondContact O-N 3.24Å; K719-K722 WeakPolarHBondContact O-CB 3.39Å; K719-K722 PolarHBondContact O-N 3.27Å; K719-S736 WeakPolarHBondContact CD-O 3.2Å; K719-S736 VanDerWaalsContact CE-O 3.22Å; K719-S736 WeakPolarHBondContact CE-O 3.25Å; K719-S736 PolarHBondContact NZ-O 3.39Å; K719-A739 HydrophobicContact CD-CB 4.19Å; K719-A739 HydrophobicContact CG-CB 3.96Å; K719-Y919 HydrophobicContact CB-CE2 4.49Å; K719-Y919 HydrophobicContact CG-CE2 4.07Å; K719-Y919 WeakPolarHBondContact CG-OH 3.46Å
720	K	84.3	Confident	85.3	Confident	139 Å²	139	75.2 Å²	75.2	60%	0.604	39%	0.386	S	S	*	.	H	α-helix	trans	-61.5	-26.6	171	-76.1	-173.9	177.8	-173	0	112.5	M716 A717 K722 T723	M716-K720 WeakPolarHBondContact O-CB 3.11Å; M716-K720 WeakPolarHBondContact O-CG 3.48Å; M716-K720 PolarHBondContact O-N 3.27Å; A717-K720 PolarHBondContact O-N 3.08Å; K720-K722 PolarHBondContact O-N 3.03Å; K720-K722 VanDerWaalsContact O-N 3.1Å; K720-T723 PolarHBondContact O-N 3.08Å; K720-T723 VanDerWaalsContact O-N 3.12Å; K720-T723 PolarHBondContact O-OG1 3.05Å; K720-T723 VanDerWaalsContact O-OG1 3.1Å
721	F	84.1	Confident	84.6	Confident	41 Å²	41	77.4 Å²	77.4	18%	0.18	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-54.7	-26.6	171.7	-170.7	-102.7	0	0	0	113	A717 L718 K719 T723 S724 F727 R732 I735	A717-F721 PolarHBondContact O-N 3.47Å; L718-F721 WeakPolarHBondContact O-CB 3.48Å; K719-F721 PolarHBondContact O-N 3.24Å; F721-T723 PolarHBondContact O-N 3.03Å; F721-T723 VanDerWaalsContact O-N 3.1Å; F721-S724 WeakPolarHBondContact O-CB 3.37Å; F721-S724 PolarHBondContact O-N 2.9Å; F721-F727 HydrophobicContact CE1-CD2 4.34Å; F721-F727 HydrophobicContact CE1-CG 4.41Å; F721-F727 AromaticContact CE2-CD2 3.43Å; F721-F727 HydrophobicContact CE2-CD2 3.43Å; F721-F727 VanDerWaalsContact CE2-CD2 3.43Å; F721-F727 AromaticContact CE2-CE2 3.61Å; F721-F727 HydrophobicContact CE2-CE2 3.61Å; F721-F727 HydrophobicContact CE2-CG 4.27Å; F721-F727 HydrophobicContact CZ-CB 4.06Å; F721-F727 HydrophobicContact CZ-CD1 4.25Å; F721-F727 AromaticContact CZ-CD2 3.19Å; F721-F727 HydrophobicContact CZ-CD2 3.19Å; F721-F727 AromaticContact CZ-CE2 3.59Å; F721-F727 HydrophobicContact CZ-CE2 3.59Å; F721-F727 AromaticContact CZ-CG 3.57Å; F721-F727 HydrophobicContact CZ-CG 3.57Å; F721-F727 HydrophobicContact CZ-CZ 4.26Å; F721-R732 HydrophobicContact CD1-CG 4.1Å; F721-R732 HydrophobicContact CE1-CB 4.42Å; F721-R732 HydrophobicContact CE1-CG 4.25Å; F721-R732 WeakPolarHBondContact O-CD 2.87Å; F721-R732 WeakPolarHBondContact O-CG 3.33Å; F721-I735 HydrophobicContact CD1-CB 4.12Å; F721-I735 HydrophobicContact CD1-CG2 3.82Å; F721-I735 HydrophobicContact CE1-CB 3.95Å; F721-I735 HydrophobicContact CE1-CD1 3.87Å; F721-I735 HydrophobicContact CE1-CG1 4.49Å; F721-I735 HydrophobicContact CE1-CG2 3.89Å; F721-I735 HydrophobicContact CZ-CD1 4.29Å
722	K	79.1	Confident	84.2	Confident	88 Å²	88	80.4 Å²	80.4	38%	0.383	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-53	-31.8	175	-165.5	-178.5	174.1	-178.1	0	113.6	K719 K720 R732	K719-K722 WeakPolarHBondContact O-CB 3.39Å; K719-K722 PolarHBondContact O-N 3.27Å; K720-K722 PolarHBondContact O-N 3.03Å; K720-K722 VanDerWaalsContact O-N 3.1Å; K722-R732 VanDerWaalsContact O-CD 3.26Å; K722-R732 WeakPolarHBondContact O-CD 3.45Å; K722-R732 PolarHBondContact O-NE 3.5Å; K722-R732 PolarHBondContact O-NH1 3.19Å; K722-R732 PolarHBondContact O-NH2 2.8Å
723	T	77.5	Confident	83.3	Confident	115 Å²	115	81.4 Å²	81.4	71%	0.706	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-101.2	-4.5	179.9	57.2	0	0	0	0	113.5	K720 F721 R732	K720-T723 PolarHBondContact O-N 3.08Å; K720-T723 VanDerWaalsContact O-N 3.12Å; K720-T723 PolarHBondContact O-OG1 3.05Å; K720-T723 VanDerWaalsContact O-OG1 3.1Å; F721-T723 PolarHBondContact O-N 3.03Å; F721-T723 VanDerWaalsContact O-N 3.1Å; T723-R732 PolarHBondContact O-NH1 3.34Å
724	S	81.4	Confident	82.5	Confident	26 Å²	26	82.2 Å²	82.2	18%	0.182	41%	0.414	C	S	.	.			trans	-60.2	150.1	179.6	-176.4	0	0	0	0	113.2	F721 F726 R732	F721-S724 WeakPolarHBondContact O-CB 3.37Å; F721-S724 PolarHBondContact O-N 2.9Å; S724-F726 WeakPolarHBondContact OG-CD2 3.29Å; S724-R732 WeakPolarHBondContact O-CD 3.34Å; S724-R732 PolarHBondContact O-NH1 2.86Å
725	R	82.8	Confident	82	Confident	240 Å²	240	83.2 Å²	83.2	91%	0.906	42%	0.418	S	S	*	.	S	Bend	trans	-90.9	-12.1	-179.5	-63.3	-178.9	-178.8	173.3	0.3	114.1	F727	R725-F727 PolarHBondContact O-N 3.49Å
726	F	80.4	Confident	81.5	Confident	179 Å²	179	83.3 Å²	83.3	79%	0.785	42%	0.418	S	S	*	.	S	Bend	trans	-81.1	-5.7	-165.8	-62.9	-69	0	0	0	115.9	S724	S724-F726 WeakPolarHBondContact OG-CD2 3.29Å
727	F	83.3	Confident	80.9	Confident	105 Å²	105	82.2 Å²	82.2	46%	0.461	41%	0.413	S	S	.	.	S	Bend	trans	-138.9	155.8	-173.2	-76.3	-95.1	0	0	0	113.5	F721 R725 V731 R732	F721-F727 HydrophobicContact CE1-CD2 4.34Å; F721-F727 HydrophobicContact CE1-CG 4.41Å; F721-F727 AromaticContact CE2-CD2 3.43Å; F721-F727 HydrophobicContact CE2-CD2 3.43Å; F721-F727 VanDerWaalsContact CE2-CD2 3.43Å; F721-F727 AromaticContact CE2-CE2 3.61Å; F721-F727 HydrophobicContact CE2-CE2 3.61Å; F721-F727 HydrophobicContact CE2-CG 4.27Å; F721-F727 HydrophobicContact CZ-CB 4.06Å; F721-F727 HydrophobicContact CZ-CD1 4.25Å; F721-F727 AromaticContact CZ-CD2 3.19Å; F721-F727 HydrophobicContact CZ-CD2 3.19Å; F721-F727 AromaticContact CZ-CE2 3.59Å; F721-F727 HydrophobicContact CZ-CE2 3.59Å; F721-F727 AromaticContact CZ-CG 3.57Å; F721-F727 HydrophobicContact CZ-CG 3.57Å; F721-F727 HydrophobicContact CZ-CZ 4.26Å; R725-F727 PolarHBondContact O-N 3.49Å; F727-V731 HydrophobicContact CD1-CG1 4.33Å; F727-R732 HydrophobicContact CB-CB 4.46Å
728	P	83.7	Confident	80.3	Confident	79 Å²	79	82 Å²	82	51%	0.513	40%	0.401	S	S	.	.			trans	-54.7	143.4	172.4	-24.5	34.2	0	0	0	112.4	T730 V731 R732	P728-T730 PolarHBondContact O-N 3.22Å; P728-V731 HydrophobicContact CB-CG2 4.36Å; P728-V731 HydrophobicContact CG-CG2 4.49Å; P728-V731 PolarHBondContact O-N 2.97Å; P728-R732 VanDerWaalsContact O-CB 3.23Å; P728-R732 WeakPolarHBondContact O-CB 3.45Å; P728-R732 PolarHBondContact O-N 3.35Å
729	T	76.4	Confident	80	Confident	100 Å²	100	80.6 Å²	80.6	61%	0.613	39%	0.394	S	S	*	.	H	α-helix	trans	-57.2	-35.2	-174.8	50.2	0	0	0	0	113.6	K733	T729-K733 WeakPolarHBondContact O-CB 3.44Å; T729-K733 PolarHBondContact O-N 2.93Å
730	T	74.1	Confident	79.9	Confident	104 Å²	104	79.8 Å²	79.8	64%	0.638	39%	0.391	S	S	*	.	H	α-helix	trans	-65.8	-54.3	176.8	49.3	0	0	0	0	112.2	P728 R732 K733 L734	P728-T730 PolarHBondContact O-N 3.22Å; T730-R732 VanDerWaalsContact C-N 3.32Å; T730-R732 PolarHBondContact O-N 3.19Å; T730-K733 PolarHBondContact O-N 2.98Å; T730-L734 WeakPolarHBondContact O-CB 3.23Å; T730-L734 PolarHBondContact O-N 2.68Å
731	V	81.1	Confident	79.5	Confident	60 Å²	60	75 Å²	75	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-60.5	-43.6	177.7	177.9	0	0	0	0	110.6	F727 P728 K733 L734 I735	F727-V731 HydrophobicContact CD1-CG1 4.33Å; P728-V731 HydrophobicContact CB-CG2 4.36Å; P728-V731 HydrophobicContact CG-CG2 4.49Å; P728-V731 PolarHBondContact O-N 2.97Å; V731-K733 PolarHBondContact O-N 3.35Å; V731-L734 PolarHBondContact O-N 2.99Å; V731-I735 HydrophobicContact CG1-CD1 3.73Å; V731-I735 HydrophobicContact CG1-CG1 4.4Å; V731-I735 WeakPolarHBondContact O-CG1 3.48Å; V731-I735 PolarHBondContact O-N 2.9Å
732	R	81.8	Confident	79.5	Confident	63 Å²	63	77.7 Å²	77.7	24%	0.238	39%	0.387	C	S	.	.	H	α-helix	trans	-61.1	-41.8	178.1	-170.9	-178.4	67.6	157.1	9.3	112.7	F721 K722 T723 S724 F727 P728 T730 S736	F721-R732 HydrophobicContact CD1-CG 4.1Å; F721-R732 HydrophobicContact CE1-CB 4.42Å; F721-R732 HydrophobicContact CE1-CG 4.25Å; F721-R732 WeakPolarHBondContact O-CD 2.87Å; F721-R732 WeakPolarHBondContact O-CG 3.33Å; K722-R732 VanDerWaalsContact O-CD 3.26Å; K722-R732 WeakPolarHBondContact O-CD 3.45Å; K722-R732 PolarHBondContact O-NE 3.5Å; K722-R732 PolarHBondContact O-NH1 3.19Å; K722-R732 PolarHBondContact O-NH2 2.8Å; T723-R732 PolarHBondContact O-NH1 3.34Å; S724-R732 WeakPolarHBondContact O-CD 3.34Å; S724-R732 PolarHBondContact O-NH1 2.86Å; F727-R732 HydrophobicContact CB-CB 4.46Å; P728-R732 VanDerWaalsContact O-CB 3.23Å; P728-R732 WeakPolarHBondContact O-CB 3.45Å; P728-R732 PolarHBondContact O-N 3.35Å; T730-R732 VanDerWaalsContact C-N 3.32Å; T730-R732 PolarHBondContact O-N 3.19Å; R732-S736 VanDerWaalsContact O-CB 3.27Å; R732-S736 WeakPolarHBondContact O-CB 3.37Å; R732-S736 PolarHBondContact O-N 3.03Å; R732-S736 VanDerWaalsContact O-N 3.13Å
733	K	74.9	Confident	80	Confident	79 Å²	79	73.5 Å²	73.5	34%	0.343	37%	0.369	S	S	.	.	H	α-helix	trans	-66.5	-48.6	174.9	-174.8	164.9	-177.9	167.9	0	110.9	T729 T730 V731 I735 S736 D737	T729-K733 WeakPolarHBondContact O-CB 3.44Å; T729-K733 PolarHBondContact O-N 2.93Å; T730-K733 PolarHBondContact O-N 2.98Å; V731-K733 PolarHBondContact O-N 3.35Å; K733-I735 PolarHBondContact O-N 2.86Å; K733-S736 WeakPolarHBondContact O-CB 3.23Å; K733-S736 PolarHBondContact O-N 3.28Å; K733-D737 WeakPolarHBondContact CG-OD2 3.39Å; K733-D737 WeakPolarHBondContact O-CB 3.26Å; K733-D737 PolarHBondContact O-N 3.41Å
734	L	76.4	Confident	80.3	Confident	98 Å²	98	68.5 Å²	68.5	51%	0.513	34%	0.338	S	S	.	.	H	α-helix	trans	-57.3	-49.2	178.9	-172.3	150	0	0	0	112.4	T730 V731 S736 D737 F738	T730-L734 WeakPolarHBondContact O-CB 3.23Å; T730-L734 PolarHBondContact O-N 2.68Å; V731-L734 PolarHBondContact O-N 2.99Å; L734-S736 PolarHBondContact O-N 3.4Å; L734-D737 PolarHBondContact O-N 2.88Å; L734-F738 HydrophobicContact CD2-CD2 3.79Å; L734-F738 HydrophobicContact CD2-CE2 4.18Å; L734-F738 HydrophobicContact CG-CD2 3.91Å; L734-F738 HydrophobicContact CG-CE2 3.95Å; L734-F738 VanDerWaalsContact O-CD2 3.27Å; L734-F738 WeakPolarHBondContact O-CD2 3.41Å; L734-F738 PolarHBondContact O-N 3Å
735	I	83.1	Confident	80.5	Confident	50 Å²	50	73 Å²	73	26%	0.256	36%	0.359	S	S	.	.	H	α-helix	trans	-64.4	-41.5	178.7	-68.8	173.8	0	0	0	111.5	L718 F721 V731 K733 D737 A739	L718-I735 HydrophobicContact CD2-CG2 3.91Å; F721-I735 HydrophobicContact CD1-CB 4.12Å; F721-I735 HydrophobicContact CD1-CG2 3.82Å; F721-I735 HydrophobicContact CE1-CB 3.95Å; F721-I735 HydrophobicContact CE1-CD1 3.87Å; F721-I735 HydrophobicContact CE1-CG1 4.49Å; F721-I735 HydrophobicContact CE1-CG2 3.89Å; F721-I735 HydrophobicContact CZ-CD1 4.29Å; V731-I735 HydrophobicContact CG1-CD1 3.73Å; V731-I735 HydrophobicContact CG1-CG1 4.4Å; V731-I735 WeakPolarHBondContact O-CG1 3.48Å; V731-I735 PolarHBondContact O-N 2.9Å; K733-I735 PolarHBondContact O-N 2.86Å; I735-D737 VanDerWaalsContact C-N 3.3Å; I735-D737 PolarHBondContact O-N 3.48Å; I735-A739 WeakPolarHBondContact O-CA 3.33Å; I735-A739 PolarHBondContact O-N 3.08Å
736	S	78.4	Confident	80.9	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.014	34%	0.337	C	S	.	.	H	α-helix	trans	-57.3	-43.6	173.1	151.5	0	0	0	0	111.9	K719 R732 K733 L734 A739	K719-S736 WeakPolarHBondContact CD-O 3.2Å; K719-S736 VanDerWaalsContact CE-O 3.22Å; K719-S736 WeakPolarHBondContact CE-O 3.25Å; K719-S736 PolarHBondContact NZ-O 3.39Å; R732-S736 VanDerWaalsContact O-CB 3.27Å; R732-S736 WeakPolarHBondContact O-CB 3.37Å; R732-S736 PolarHBondContact O-N 3.03Å; R732-S736 VanDerWaalsContact O-N 3.13Å; K733-S736 WeakPolarHBondContact O-CB 3.23Å; K733-S736 PolarHBondContact O-N 3.28Å; L734-S736 PolarHBondContact O-N 3.4Å; S736-A739 VanDerWaalsContact O-CB 3.23Å; S736-A739 WeakPolarHBondContact O-CB 3.5Å; S736-A739 PolarHBondContact O-N 2.83Å
737	D	75.3	Confident	81.5	Confident	26 Å²	26	58 Å²	58	14%	0.139	30%	0.304	C	S	.	.	H	α-helix	trans	-73.7	-39.2	-173.6	-63	-11.7	0	0	0	110.1	F479 K733 L734 I735 A739	F479-D737 WeakPolarHBondContact CD2-O 3.44Å; F479-D737 WeakPolarHBondContact CE2-O 3.32Å; K733-D737 WeakPolarHBondContact CG-OD2 3.39Å; K733-D737 WeakPolarHBondContact O-CB 3.26Å; K733-D737 PolarHBondContact O-N 3.41Å; L734-D737 PolarHBondContact O-N 2.88Å; I735-D737 VanDerWaalsContact C-N 3.3Å; I735-D737 PolarHBondContact O-N 3.48Å; D737-A739 VanDerWaalsContact C-N 3.35Å; D737-A739 PolarHBondContact O-N 3.33Å
738	F	77.6	Confident	81.7	Confident	56 Å²	56	54.1 Å²	54.1	25%	0.246	29%	0.29	C	S	.	.	H	α-helix	trans	-81.6	0.7	174	-70.1	-67.6	0	0	0	116	L478 L482 L734 I740 I741 L742	L478-F738 HydrophobicContact CB-CE1 3.94Å; L478-F738 HydrophobicContact CB-CZ 4.13Å; L478-F738 HydrophobicContact CD1-CE1 4.41Å; L478-F738 HydrophobicContact CD1-CZ 4Å; L482-F738 HydrophobicContact CD1-CD1 4.29Å; L482-F738 HydrophobicContact CD1-CE1 4.27Å; L734-F738 HydrophobicContact CD2-CD2 3.79Å; L734-F738 HydrophobicContact CD2-CE2 4.18Å; L734-F738 HydrophobicContact CG-CD2 3.91Å; L734-F738 HydrophobicContact CG-CE2 3.95Å; L734-F738 VanDerWaalsContact O-CD2 3.27Å; L734-F738 WeakPolarHBondContact O-CD2 3.41Å; L734-F738 PolarHBondContact O-N 3Å; F738-I740 PolarHBondContact O-N 3.42Å; F738-I741 PolarHBondContact O-N 3.2Å; F738-L742 PolarHBondContact O-N 3.48Å
739	A	82.1	Confident	82	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-47.4	-48.9	-170.3	0	0	0	0	0	115.8	L718 K719 I735 S736 D737 I741 T743	L718-A739 HydrophobicContact CB-CB 3.52Å; L718-A739 HydrophobicContact CD1-CB 4.5Å; K719-A739 HydrophobicContact CD-CB 4.19Å; K719-A739 HydrophobicContact CG-CB 3.96Å; I735-A739 WeakPolarHBondContact O-CA 3.33Å; I735-A739 PolarHBondContact O-N 3.08Å; S736-A739 VanDerWaalsContact O-CB 3.23Å; S736-A739 WeakPolarHBondContact O-CB 3.5Å; S736-A739 PolarHBondContact O-N 2.83Å; D737-A739 VanDerWaalsContact C-N 3.35Å; D737-A739 PolarHBondContact O-N 3.33Å; A739-I741 VanDerWaalsContact C-N 3.3Å; A739-I741 PolarHBondContact O-N 3.17Å; A739-T743 WeakPolarHBondContact O-CB 3.46Å; A739-T743 PolarHBondContact O-N 3.36Å; A739-T743 VanDerWaalsContact O-N 3.09Å; A739-T743 PolarHBondContact O-OG1 3.45Å
740	I	79.5	Confident	82.7	Confident	26 Å²	26	49.8 Å²	49.8	13%	0.133	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-39.6	-176.2	-58.6	171.9	0	0	0	110.5	F738 T743 I744 V916 Y919	F738-I740 PolarHBondContact O-N 3.42Å; I740-T743 WeakPolarHBondContact O-CB 3.36Å; I740-T743 PolarHBondContact O-N 3.38Å; I740-I744 HydrophobicContact CG2-CD1 4.01Å; I740-I744 WeakPolarHBondContact O-CG1 3.33Å; I740-I744 PolarHBondContact O-N 2.72Å; I740-V916 HydrophobicContact CG2-CG1 3.68Å; I740-V916 HydrophobicContact CG2-CG2 4.2Å; I740-Y919 HydrophobicContact CD1-CD1 4.24Å; I740-Y919 HydrophobicContact CD1-CE1 3.7Å; I740-Y919 HydrophobicContact CG1-CD1 4.31Å; I740-Y919 HydrophobicContact CG1-CE1 3.97Å
741	I	76.8	Confident	83.5	Confident	39 Å²	39	44.9 Å²	44.9	20%	0.2	24%	0.235	C	C	.	.	H	α-helix	trans	-78.6	-42.4	-175.4	-74.3	-74.4	0	0	0	112.3	L482 F738 A739 T743 I744 L745	L482-I741 HydrophobicContact CB-CD1 3.74Å; L482-I741 HydrophobicContact CB-CG1 3.55Å; L482-I741 HydrophobicContact CD1-CB 4.35Å; L482-I741 HydrophobicContact CD1-CD1 4.32Å; L482-I741 HydrophobicContact CD1-CG1 3.71Å; L482-I741 HydrophobicContact CD1-CG2 4.35Å; L482-I741 HydrophobicContact CD2-CD1 3.71Å; L482-I741 HydrophobicContact CD2-CG1 4.07Å; L482-I741 HydrophobicContact CG-CD1 4.06Å; L482-I741 HydrophobicContact CG-CG1 3.91Å; F738-I741 PolarHBondContact O-N 3.2Å; A739-I741 VanDerWaalsContact C-N 3.3Å; A739-I741 PolarHBondContact O-N 3.17Å; I741-T743 PolarHBondContact O-N 3.45Å; I741-I744 HydrophobicContact CD1-CD1 4.18Å; I741-I744 PolarHBondContact O-N 3.19Å; I741-L745 HydrophobicContact CG2-CD1 3.96Å; I741-L745 HydrophobicContact CG2-CG 4.39Å; I741-L745 WeakPolarHBondContact O-CB 3.29Å; I741-L745 WeakPolarHBondContact O-CG 3.28Å; I741-L745 PolarHBondContact O-N 3.3Å
742	L	84.6	Confident	83.9	Confident	96 Å²	96	45.6 Å²	45.6	50%	0.503	25%	0.247	S	C	.	.	H	α-helix	trans	-54.3	-38.9	170.6	-166.2	105	0	0	0	109.9	L718 F738 L746	L718-L742 HydrophobicContact CD1-CB 4.43Å; L718-L742 HydrophobicContact CD1-CD2 3.63Å; L718-L742 HydrophobicContact CD2-CD2 4.14Å; F738-L742 PolarHBondContact O-N 3.48Å; L742-L746 WeakPolarHBondContact O-CB 3.45Å; L742-L746 PolarHBondContact O-N 2.98Å
743	T	88.3	Confident	84.3	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-69	-48.1	176.6	-50.1	0	0	0	0	112.9	T711 C714 L718 A739 I740 I741 L745 L746 F747	T711-T743 HydrophobicContact CG2-CG2 3.9Å; T711-T743 WeakPolarHBondContact O-CG2 3.3Å; C714-T743 HydrophobicContact CB-CG2 3.72Å; L718-T743 WeakPolarHBondContact CD1-OG1 3.37Å; A739-T743 WeakPolarHBondContact O-CB 3.46Å; A739-T743 PolarHBondContact O-N 3.36Å; A739-T743 VanDerWaalsContact O-N 3.09Å; A739-T743 PolarHBondContact O-OG1 3.45Å; I740-T743 WeakPolarHBondContact O-CB 3.36Å; I740-T743 PolarHBondContact O-N 3.38Å; I741-T743 PolarHBondContact O-N 3.45Å; T743-L745 VanDerWaalsContact C-N 3.32Å; T743-L745 PolarHBondContact O-N 3.06Å; T743-L746 PolarHBondContact O-N 3.36Å; T743-F747 HydrophobicContact CG2-CD2 3.61Å; T743-F747 HydrophobicContact CG2-CE2 3.78Å; T743-F747 WeakPolarHBondContact O-CD2 3.39Å; T743-F747 PolarHBondContact O-N 3.16Å
744	I	84.9	Confident	85	Confident	11 Å²	11	50.1 Å²	50.1	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-45.9	176.8	-68.9	162.7	0	0	0	110.7	T486 I740 I741 C748 V912 V916	T486-I744 HydrophobicContact CG2-CD1 4.41Å; I740-I744 HydrophobicContact CG2-CD1 4.01Å; I740-I744 WeakPolarHBondContact O-CG1 3.33Å; I740-I744 PolarHBondContact O-N 2.72Å; I741-I744 HydrophobicContact CD1-CD1 4.18Å; I741-I744 PolarHBondContact O-N 3.19Å; I744-C748 WeakPolarHBondContact O-CB 3.44Å; I744-C748 PolarHBondContact O-N 2.96Å; I744-V912 HydrophobicContact CB-CG1 4.43Å; I744-V912 HydrophobicContact CG1-CG1 4.17Å; I744-V912 HydrophobicContact CG2-CG1 4.41Å; I744-V916 HydrophobicContact CD1-CG2 4.06Å; I744-V916 HydrophobicContact CG1-CG2 3.82Å
745	L	86	Confident	85.2	Confident	119 Å²	119	48.3 Å²	48.3	62%	0.623	29%	0.286	S	S	*	.	H	α-helix	trans	-65.5	-41.8	178.8	-67.8	174.4	0	0	0	112	I741 T743 G749	I741-L745 HydrophobicContact CG2-CD1 3.96Å; I741-L745 HydrophobicContact CG2-CG 4.39Å; I741-L745 WeakPolarHBondContact O-CB 3.29Å; I741-L745 WeakPolarHBondContact O-CG 3.28Å; I741-L745 PolarHBondContact O-N 3.3Å; T743-L745 VanDerWaalsContact C-N 3.32Å; T743-L745 PolarHBondContact O-N 3.06Å; L745-G749 PolarHBondContact O-N 3Å
746	L	91.1	Very high	85.3	Confident	85 Å²	85	47.6 Å²	47.6	45%	0.445	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-50.8	176.2	178.7	66.7	0	0	0	111.6	L742 T743 G749 I750	L742-L746 WeakPolarHBondContact O-CB 3.45Å; L742-L746 PolarHBondContact O-N 2.98Å; T743-L746 PolarHBondContact O-N 3.36Å; L746-G749 PolarHBondContact O-N 3.13Å; L746-I750 HydrophobicContact CD1-CD1 4.4Å; L746-I750 HydrophobicContact CG-CD1 4.12Å; L746-I750 WeakPolarHBondContact O-CG1 3.49Å; L746-I750 PolarHBondContact O-N 3.33Å
747	F	91.5	Very high	85.4	Confident	21 Å²	21	54 Å²	54	9%	0.092	32%	0.319	C	S	.	.	H	α-helix	trans	-76.6	-26.3	-177.9	-76.7	-78.2	0	0	0	113.6	L707 G710 C714 T743 G749 I750 D751 V912	L707-F747 HydrophobicContact CD2-CB 4.15Å; L707-F747 HydrophobicContact CD2-CD1 3.96Å; G710-F747 VanDerWaalsContact CA-CZ 3.43Å; G710-F747 VanDerWaalsContact O-CE2 3.31Å; G710-F747 WeakPolarHBondContact O-CE2 3.3Å; G710-F747 WeakPolarHBondContact O-CZ 3.34Å; C714-F747 HydrophobicContact CB-CE2 3.78Å; C714-F747 HydrophobicContact CB-CZ 4.42Å; T743-F747 HydrophobicContact CG2-CD2 3.61Å; T743-F747 HydrophobicContact CG2-CE2 3.78Å; T743-F747 WeakPolarHBondContact O-CD2 3.39Å; T743-F747 PolarHBondContact O-N 3.16Å; F747-G749 VanDerWaalsContact C-N 3.33Å; F747-I750 HydrophobicContact CD1-CD1 3.76Å; F747-I750 HydrophobicContact CE1-CD1 3.83Å; F747-I750 HydrophobicContact CG-CD1 4.37Å; F747-I750 HydrophobicContact CZ-CD1 4.46Å; F747-I750 PolarHBondContact O-N 3.41Å; F747-D751 WeakPolarHBondContact O-CB 3.41Å; F747-D751 PolarHBondContact O-N 2.99Å; F747-V912 HydrophobicContact CB-CG1 4.44Å; F747-V912 HydrophobicContact CB-CG2 3.66Å
748	C	88.4	Confident	85.8	Confident	23 Å²	23	53.1 Å²	53.1	16%	0.155	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-37.3	165.9	-170.1	0	0	0	0	111.6	I744 A752	I744-C748 WeakPolarHBondContact O-CB 3.44Å; I744-C748 PolarHBondContact O-N 2.96Å; C748-A752 WeakPolarHBondContact O-CB 3.43Å; C748-A752 PolarHBondContact O-N 3.48Å; C748-A752 VanDerWaalsContact O-N 3.07Å
749	G	89.2	Confident	86	Confident	31 Å²	31	52.4 Å²	52.4	32%	0.32	32%	0.315	S	S	.	.	H	α-helix	trans	-65.6	-42	172.3	0	0	0	0	0	112.6	L745 L746 F747 A752 L753	L745-G749 PolarHBondContact O-N 3Å; L746-G749 PolarHBondContact O-N 3.13Å; F747-G749 VanDerWaalsContact C-N 3.33Å; G749-A752 PolarHBondContact O-N 3.22Å; G749-L753 WeakPolarHBondContact O-CB 3.47Å; G749-L753 VanDerWaalsContact O-CG 3.27Å; G749-L753 WeakPolarHBondContact O-CG 3.38Å; G749-L753 PolarHBondContact O-N 3.23Å
750	I	91.7	Very high	85.9	Confident	56 Å²	56	55.7 Å²	55.7	29%	0.287	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-43.5	175.3	-67.8	163.4	0	0	0	111.1	M703 L746 F747 A752 L753 V754	M703-I750 HydrophobicContact CE-CG2 4.36Å; L746-I750 HydrophobicContact CD1-CD1 4.4Å; L746-I750 HydrophobicContact CG-CD1 4.12Å; L746-I750 WeakPolarHBondContact O-CG1 3.49Å; L746-I750 PolarHBondContact O-N 3.33Å; F747-I750 HydrophobicContact CD1-CD1 3.76Å; F747-I750 HydrophobicContact CE1-CD1 3.83Å; F747-I750 HydrophobicContact CG-CD1 4.37Å; F747-I750 HydrophobicContact CZ-CD1 4.46Å; F747-I750 PolarHBondContact O-N 3.41Å; I750-A752 PolarHBondContact O-N 2.93Å; I750-L753 PolarHBondContact O-N 3.46Å; I750-V754 HydrophobicContact CG2-CG2 4.31Å; I750-V754 WeakPolarHBondContact O-CB 3.49Å; I750-V754 WeakPolarHBondContact O-CG2 3.2Å; I750-V754 PolarHBondContact O-N 2.99Å
751	D	91.1	Very high	85.5	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.011	33%	0.325	C	S	.	.	H	α-helix	trans	-57.7	-46.5	174.1	-175	81.9	0	0	0	112	M703 L707 F747 L753 V754 G755 T758 K760 P909	M703-D751 HydrophobicContact CE-CB 4.48Å; L707-D751 HydrophobicContact CD1-CB 4.32Å; L707-D751 HydrophobicContact CD2-CB 4.42Å; F747-D751 WeakPolarHBondContact O-CB 3.41Å; F747-D751 PolarHBondContact O-N 2.99Å; D751-L753 PolarHBondContact O-N 3.22Å; D751-V754 PolarHBondContact O-N 3.34Å; D751-G755 PolarHBondContact O-N 3.49Å; D751-T758 WeakPolarHBondContact OD1-CB 3.39Å; D751-T758 WeakPolarHBondContact OD1-CG2 3.42Å; D751-T758 PolarHBondContact OD1-OG1 3.06Å; D751-T758 PolarHBondContact OD2-OG1 3.37Å; D751-K760 WeakPolarHBondContact OD2-CE 3.23Å; D751-K760 IonicContact OD2-NZ 3.85Å; D751-K760 PolarHBondContact OD2-NZ 3.28Å; D751-P909 HydrophobicContact CB-CG 4.13Å
752	A	88.4	Confident	85	Confident	75 Å²	75	60 Å²	60	62%	0.62	35%	0.352	S	S	*	.	H	α-helix	trans	-66.5	-32.6	177.8	0	0	0	0	0	113.9	C748 G749 I750	C748-A752 WeakPolarHBondContact O-CB 3.43Å; C748-A752 PolarHBondContact O-N 3.48Å; C748-A752 VanDerWaalsContact O-N 3.07Å; G749-A752 PolarHBondContact O-N 3.22Å; I750-A752 PolarHBondContact O-N 2.93Å
753	L	90.4	Very high	84.1	Confident	156 Å²	156	56.5 Å²	56.5	82%	0.817	33%	0.334	S	S	*	.	H	α-helix	trans	-76.5	-33.2	176.8	-74.2	170.7	0	0	0	113.1	G749 I750 D751	G749-L753 WeakPolarHBondContact O-CB 3.47Å; G749-L753 VanDerWaalsContact O-CG 3.27Å; G749-L753 WeakPolarHBondContact O-CG 3.38Å; G749-L753 PolarHBondContact O-N 3.23Å; I750-L753 PolarHBondContact O-N 3.46Å; D751-L753 PolarHBondContact O-N 3.22Å
754	V	89.6	Confident	83	Confident	81 Å²	81	58.7 Å²	58.7	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-80.6	-30.3	178.4	171.5	0	0	0	0	111.5	M703 I750 D751 V756	M703-V754 HydrophobicContact CE-CB 3.69Å; M703-V754 HydrophobicContact CE-CG1 3.8Å; M703-V754 HydrophobicContact CE-CG2 3.94Å; M703-V754 HydrophobicContact SD-CG1 4.08Å; I750-V754 HydrophobicContact CG2-CG2 4.31Å; I750-V754 WeakPolarHBondContact O-CB 3.49Å; I750-V754 WeakPolarHBondContact O-CG2 3.2Å; I750-V754 PolarHBondContact O-N 2.99Å; D751-V754 PolarHBondContact O-N 3.34Å; V754-V756 VanDerWaalsContact C-N 3.32Å; V754-V756 HydrophobicContact CG1-CB 4.42Å; V754-V756 HydrophobicContact CG1-CG2 3.87Å; V754-V756 PolarHBondContact O-N 2.94Å
755	G	81.9	Confident	82.1	Confident	59 Å²	59	63.6 Å²	63.6	61%	0.608	38%	0.383	S	S	*	.			trans	73	17.3	169.2	0	0	0	0	0	115.6	D751	D751-G755 PolarHBondContact O-N 3.49Å
756	V	84.6	Confident	81.3	Confident	35 Å²	35	63.3 Å²	63.3	21%	0.212	38%	0.379	C	S	.	.			trans	-82	140.2	174.2	169.8	0	0	0	0	110	I700 M703 V754 T758	I700-V756 HydrophobicContact CG1-CG1 3.96Å; M703-V756 HydrophobicContact CB-CG1 4.46Å; M703-V756 HydrophobicContact CG-CB 4.46Å; V754-V756 VanDerWaalsContact C-N 3.32Å; V754-V756 HydrophobicContact CG1-CB 4.42Å; V754-V756 HydrophobicContact CG1-CG2 3.87Å; V754-V756 PolarHBondContact O-N 2.94Å; V756-T758 HydrophobicContact CG1-CG2 4.34Å; V756-T758 PolarHBondContact O-N 3.05Å
757	D	80.3	Confident	80.5	Confident	138 Å²	138	64.6 Å²	64.6	74%	0.738	38%	0.381	S	S	*	.			trans	-73.4	70	179.4	-74.6	-44.7	0	0	0	112.7	I700	I700-D757 WeakPolarHBondContact CD1-O 3.38Å
758	T	84	Confident	79.7	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.043	40%	0.402	C	S	.	.			trans	-69.7	151	172.7	60.8	0	0	0	0	111.7	M703 L707 D751 V756 K760 P909	M703-T758 HydrophobicContact CG-CG2 3.84Å; L707-T758 HydrophobicContact CD1-CG2 4.1Å; D751-T758 WeakPolarHBondContact OD1-CB 3.39Å; D751-T758 WeakPolarHBondContact OD1-CG2 3.42Å; D751-T758 PolarHBondContact OD1-OG1 3.06Å; D751-T758 PolarHBondContact OD2-OG1 3.37Å; V756-T758 HydrophobicContact CG1-CG2 4.34Å; V756-T758 PolarHBondContact O-N 3.05Å; T758-K760 PolarHBondContact O-N 2.94Å; T758-K760 VanDerWaalsContact O-N 3.12Å; T758-P909 WeakPolarHBondContact OG1-CB 3.43Å
759	P	80.9	Confident	79.2	Confident	41 Å²	41	69.4 Å²	69.4	27%	0.266	40%	0.402	S	S	.	.			trans	-66.1	115.1	179.5	27.1	-35.3	0	0	0	110.8	L615 M910 P911	L615-P759 HydrophobicContact CD1-CG 3.9Å; L615-P759 HydrophobicContact CD2-CG 3.88Å; P759-M910 PolarHBondContact O-N 2.7Å; P759-P911 HydrophobicContact CG-CG 4.4Å
760	K	81.8	Confident	78.4	Confident	69 Å²	69	69.8 Å²	69.8	30%	0.3	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-104.7	161.8	-176.9	-79.1	159.5	-176.1	165.6	0	112	D751 T758 I762 K906 P909	D751-K760 WeakPolarHBondContact OD2-CE 3.23Å; D751-K760 IonicContact OD2-NZ 3.85Å; D751-K760 PolarHBondContact OD2-NZ 3.28Å; T758-K760 PolarHBondContact O-N 2.94Å; T758-K760 VanDerWaalsContact O-N 3.12Å; K760-I762 PolarHBondContact O-N 3Å; K760-K906 WeakPolarHBondContact CB-O 3.45Å; K760-P909 HydrophobicContact CG-CB 4.41Å
761	L	70.3	Confident	77.5	Confident	8 Å²	8	67.6 Å²	67.6	4%	0.042	39%	0.388	C	S	.	.			trans	-67.9	127.4	178.9	-84.7	151.1	0	0	0	112.5	I489 V505 V763 I908 M910 L913	I489-L761 HydrophobicContact CG2-CD1 3.3Å; I489-L761 HydrophobicContact CG2-CD2 3.8Å; I489-L761 HydrophobicContact CG2-CG 4.2Å; V505-L761 HydrophobicContact CG2-CD2 4.33Å; L761-V763 HydrophobicContact CB-CG2 4.22Å; L761-V763 PolarHBondContact O-N 3.34Å; L761-I908 HydrophobicContact CD1-CB 4.14Å; L761-I908 HydrophobicContact CD1-CG2 4.36Å; L761-I908 PolarHBondContact N-O 3.37Å; L761-M910 HydrophobicContact CD2-CE 4.37Å; L761-L913 HydrophobicContact CD1-CD1 3.55Å; L761-L913 HydrophobicContact CG-CD1 4.4Å
762	I	65.5	Low	76.3	Confident	148 Å²	148	74.2 Å²	74.2	76%	0.759	43%	0.431	S	S	*	.			trans	-85	102.2	171.9	-55.9	172.4	0	0	0	107.7	K760	K760-I762 PolarHBondContact O-N 3Å
763	V	67.1	Low	75.2	Confident	21 Å²	21	75 Å²	75	13%	0.127	44%	0.438	C	S	.	.			trans	-122	128	174.2	-172.3	0	0	0	0	108.2	V505 L761 A902	V505-V763 HydrophobicContact CG1-CG2 4.3Å; L761-V763 HydrophobicContact CB-CG2 4.22Å; L761-V763 PolarHBondContact O-N 3.34Å; V763-A902 HydrophobicContact CG1-CB 3.86Å
764	P	64.8	Low	74.5	Confident	47 Å²	47	69.1 Å²	69.1	31%	0.305	40%	0.404	S	S	.	.			trans	-65.7	139.2	174.5	27.8	-33.7	0	0	0	110.3	E766	P764-E766 PolarHBondContact O-N 3.02Å
765	S	65.3	Low	73.9	Confident	113 Å²	113	67.6 Å²	67.6	79%	0.79	41%	0.405	S	S	*	.	S	Bend	trans	-76.3	-8.4	177.7	50.3	0	0	0	0	113.9
766	E	69.7	Low	73.9	Confident	113 Å²	113	68.1 Å²	68.1	53%	0.528	39%	0.389	S	S	.	.	S	Bend	trans	-117.5	148.2	178	-63.7	-177.3	174.9	0	0	110.5	P764 K768	P764-E766 PolarHBondContact O-N 3.02Å; E766-K768 VanDerWaalsContact C-N 3.28Å; E766-K768 HydrophobicContact CB-CD 4.38Å; E766-K768 HydrophobicContact CB-CG 4.49Å; E766-K768 PolarHBondContact O-N 3.21Å; E766-K768 WeakPolarHBondContact OE2-CD 3.49Å; E766-K768 WeakPolarHBondContact OE2-CE 3.41Å; E766-K768 IonicContact OE2-NZ 3.88Å; E766-K768 PolarHBondContact OE2-NZ 2.94Å
767	F	74.3	Confident	74	Confident	113 Å²	113	72.8 Å²	72.8	50%	0.496	41%	0.406	S	S	.	.	S	Bend	trans	-74.3	78.9	176.5	-172.3	-100.4	0	0	0	111.3	L506 L510 W776 V899	L506-F767 HydrophobicContact CD1-CD2 4.12Å; L506-F767 HydrophobicContact CD1-CE2 4.41Å; L506-F767 HydrophobicContact CD2-CD2 4.05Å; L506-F767 HydrophobicContact CD2-CE2 4.41Å; L506-F767 HydrophobicContact CG-CD2 4.43Å; L510-F767 HydrophobicContact CD1-CZ 4.34Å; L510-F767 HydrophobicContact CD2-CZ 4.04Å; F767-W776 HydrophobicContact CD1-CZ2 4.13Å; F767-W776 HydrophobicContact CD2-CZ2 4.46Å; F767-W776 AromaticContact CE1-CE2 3.89Å; F767-W776 HydrophobicContact CE1-CH2 4.47Å; F767-W776 AromaticContact CE1-CZ2 3.62Å; F767-W776 HydrophobicContact CE1-CZ2 3.62Å; F767-W776 AromaticContact CE1-NE1 3.96Å; F767-W776 HydrophobicContact CE2-CH2 4.22Å; F767-W776 AromaticContact CE2-CZ2 3.99Å; F767-W776 HydrophobicContact CE2-CZ2 3.99Å; F767-W776 AromaticContact CZ-CH2 3.96Å; F767-W776 HydrophobicContact CZ-CH2 3.96Å; F767-W776 AromaticContact CZ-CZ2 3.55Å; F767-W776 HydrophobicContact CZ-CZ2 3.55Å; F767-V899 HydrophobicContact CD2-CG1 3.91Å; F767-V899 HydrophobicContact CE2-CG1 4.35Å
768	K	75.6	Confident	74.3	Confident	122 Å²	122	66.5 Å²	66.5	53%	0.53	37%	0.373	S	S	.	.	S	Bend	trans	-134.8	148.5	178.3	-72.4	174.7	175.4	165.6	0	109.9	L506 E766	L506-K768 WeakPolarHBondContact CD2-O 3.34Å; E766-K768 VanDerWaalsContact C-N 3.28Å; E766-K768 HydrophobicContact CB-CD 4.38Å; E766-K768 HydrophobicContact CB-CG 4.49Å; E766-K768 PolarHBondContact O-N 3.21Å; E766-K768 WeakPolarHBondContact OE2-CD 3.49Å; E766-K768 WeakPolarHBondContact OE2-CE 3.41Å; E766-K768 IonicContact OE2-NZ 3.88Å; E766-K768 PolarHBondContact OE2-NZ 2.94Å
769	P	77.4	Confident	74.3	Confident	22 Å²	22	69.6 Å²	69.6	14%	0.143	39%	0.393	C	S	.	.			trans	-51.6	146.6	172.7	-25.7	35.6	0	0	0	111.7	S771 R774 W776	P769-S771 PolarHBondContact O-N 2.93Å; P769-R774 HydrophobicContact CB-CG 3.84Å; P769-W776 HydrophobicContact CG-CD2 4.08Å; P769-W776 HydrophobicContact CG-CG 4.22Å; P769-W776 HydrophobicContact CG-CZ2 4.46Å
770	T	72.4	Confident	74.3	Confident	39 Å²	39	69.4 Å²	69.4	24%	0.239	39%	0.392	C	S	.	.	S	Bend	trans	-61.5	-31.2	-171	-59.8	0	0	0	0	112.3	N501 E507	N501-T770 HydrophobicContact CB-CG2 4.05Å; E507-T770 PolarHBondContact OE1-N 3.22Å; E507-T770 PolarHBondContact OE1-OG1 3.46Å; E507-T770 PolarHBondContact OE2-OG1 2.79Å
771	S	72.5	Confident	74.2	Confident	11 Å²	11	73 Å²	73	8%	0.077	41%	0.407	C	S	.	.	S	Bend	trans	-101.6	132.4	169.1	59.9	0	0	0	0	111.7	P769 A773 R774	P769-S771 PolarHBondContact O-N 2.93Å; S771-A773 PolarHBondContact O-N 3.47Å; S771-A773 VanDerWaalsContact O-N 3.14Å; S771-R774 PolarHBondContact O-N 3.15Å
772	P	65.8	Low	74.2	Confident	141 Å²	141	75.9 Å²	75.9	92%	0.916	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.1	178.5	30.3	-36.3	0	0	0	113.4	R774	P772-R774 VanDerWaalsContact C-N 3.35Å
773	A	66.3	Low	74.4	Confident	92 Å²	92	70.5 Å²	70.5	76%	0.76	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-3	-179.5	0	0	0	0	0	114.2	S771	S771-A773 PolarHBondContact O-N 3.47Å; S771-A773 VanDerWaalsContact O-N 3.14Å
774	R	73.9	Confident	75.1	Confident	32 Å²	32	70 Å²	70	12%	0.121	42%	0.417	C	S	.	.			trans	-132.9	154.2	-176.8	78.6	-179.1	-168.8	148.3	1.5	114.3	M502 E507 L559 P769 S771 P772 G845	M502-R774 PolarHBondContact O-NE 2.67Å; M502-R774 VanDerWaalsContact O-NE 3.09Å; M502-R774 PolarHBondContact O-NH1 3.08Å; M502-R774 PolarHBondContact O-NH2 3.06Å; E507-R774 VanDerWaalsContact CG-NH2 3.28Å; E507-R774 IonicContact OE1-CZ 3.42Å; E507-R774 IonicContact OE1-NE 3.66Å; E507-R774 IonicContact OE1-NH2 2.74Å; E507-R774 PolarHBondContact OE1-NH2 3.37Å; L559-R774 HydrophobicContact CD1-CB 4.17Å; P769-R774 HydrophobicContact CB-CG 3.84Å; S771-R774 PolarHBondContact O-N 3.15Å; P772-R774 VanDerWaalsContact C-N 3.35Å; R774-G845 PolarHBondContact NH1-O 3.3Å; R774-G845 PolarHBondContact NH2-O 3.49Å
775	G	78.2	Confident	76.1	Confident	49 Å²	49	70.3 Å²	70.3	51%	0.505	42%	0.419	S	S	.	.			trans	-93.6	177.2	164.8	0	0	0	0	0	112.7	F777	G775-F777 VanDerWaalsContact C-N 3.31Å; G775-F777 PolarHBondContact O-N 3.22Å
776	W	81.9	Confident	77.1	Confident	69 Å²	69	74.2 Å²	74.2	26%	0.261	42%	0.417	S	S	.	.	S	Bend	trans	-75.1	-12.8	176.7	-73.3	108.3	0	0	0	114.8	L506 E507 L510 F767 P769 M844 L846	L506-W776 HydrophobicContact CD2-CH2 4Å; L506-W776 HydrophobicContact CD2-CZ2 4.03Å; L506-W776 HydrophobicContact CG-CH2 4.27Å; E507-W776 HydrophobicContact CG-CH2 4.13Å; E507-W776 HydrophobicContact CG-CZ3 3.73Å; L510-W776 HydrophobicContact CD2-CE3 3.91Å; L510-W776 HydrophobicContact CD2-CH2 3.75Å; L510-W776 HydrophobicContact CD2-CZ2 4.5Å; L510-W776 HydrophobicContact CD2-CZ3 3.41Å; L510-W776 VanDerWaalsContact CD2-CZ3 3.41Å; F767-W776 HydrophobicContact CD1-CZ2 4.13Å; F767-W776 HydrophobicContact CD2-CZ2 4.46Å; F767-W776 AromaticContact CE1-CE2 3.89Å; F767-W776 HydrophobicContact CE1-CH2 4.47Å; F767-W776 AromaticContact CE1-CZ2 3.62Å; F767-W776 HydrophobicContact CE1-CZ2 3.62Å; F767-W776 AromaticContact CE1-NE1 3.96Å; F767-W776 HydrophobicContact CE2-CH2 4.22Å; F767-W776 AromaticContact CE2-CZ2 3.99Å; F767-W776 HydrophobicContact CE2-CZ2 3.99Å; F767-W776 AromaticContact CZ-CH2 3.96Å; F767-W776 HydrophobicContact CZ-CH2 3.96Å; F767-W776 AromaticContact CZ-CZ2 3.55Å; F767-W776 HydrophobicContact CZ-CZ2 3.55Å; P769-W776 HydrophobicContact CG-CD2 4.08Å; P769-W776 HydrophobicContact CG-CG 4.22Å; P769-W776 HydrophobicContact CG-CZ2 4.46Å; W776-M844 CarbonylContact O-C 3.55Å; W776-M844 WeakPolarHBondContact O-CA 3.45Å; W776-M844 VanDerWaalsContact O-O 3.05Å; W776-L846 HydrophobicContact CZ3-CD2 4.17Å
777	F	87	Confident	77.8	Confident	133 Å²	133	74.5 Å²	74.5	58%	0.583	41%	0.413	S	S	*	.	S	Bend	trans	-120.6	131.1	178.3	-174.5	-95.4	0	0	0	109.4	G775 F843	G775-F777 VanDerWaalsContact C-N 3.31Å; G775-F777 PolarHBondContact O-N 3.22Å; F777-F843 HydrophobicContact CE2-CB 4.01Å; F777-F843 HydrophobicContact CE2-CD1 4.03Å; F777-F843 HydrophobicContact CE2-CG 4.35Å; F777-F843 HydrophobicContact CZ-CD1 4.04Å
778	I	85.5	Confident	78.4	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.036	39%	0.391	C	S	.	.			trans	-93.5	125.6	-179.4	-61.4	168.2	0	0	0	108.9	L559 E560 L563 F843	L559-I778 HydrophobicContact CB-CD1 3.96Å; L559-I778 HydrophobicContact CB-CG1 4.32Å; L559-I778 HydrophobicContact CB-CG2 4.25Å; L559-I778 HydrophobicContact CD2-CD1 4.25Å; E560-I778 HydrophobicContact CG-CG2 4.46Å; L563-I778 HydrophobicContact CB-CG2 4.43Å; L563-I778 HydrophobicContact CD1-CB 3.91Å; L563-I778 HydrophobicContact CD1-CG2 3.88Å; I778-F843 PolarHBondContact N-O 3.19Å; I778-F843 VanDerWaalsContact N-O 3.15Å
779	P	83.8	Confident	78.9	Confident	72 Å²	72	65.1 Å²	65.1	47%	0.468	37%	0.372	S	S	.	.			trans	-64.8	132.8	171.9	28	-33.3	0	0	0	109.9	F781	P779-F781 VanDerWaalsContact C-N 3.28Å; P779-F781 PolarHBondContact O-N 3.01Å
780	P	80.4	Confident	79.5	Confident	37 Å²	37	69.6 Å²	69.6	24%	0.24	39%	0.394	C	S	.	.	S	Bend	trans	-76.9	-12.7	-177.9	29.2	-34.7	0	0	0	114.1	L563 W564	L563-P780 HydrophobicContact CD2-CB 4.09Å; W564-P780 PolarHBondContact NE1-O 3Å
781	F	81.3	Confident	80.2	Confident	143 Å²	143	70.1 Å²	70.1	63%	0.627	40%	0.402	S	S	*	.	S	Bend	trans	-141	126.4	179.5	-50.6	-75.1	0	0	0	109.3	W564 P779 Y789	W564-F781 HydrophobicContact CH2-CE1 4.13Å; W564-F781 HydrophobicContact CH2-CZ 4.34Å; W564-F781 HydrophobicContact CZ2-CD1 4.18Å; W564-F781 AromaticContact CZ2-CE1 3.55Å; W564-F781 HydrophobicContact CZ2-CE1 3.55Å; W564-F781 AromaticContact CZ2-CZ 4Å; W564-F781 HydrophobicContact CZ2-CZ 4Å; P779-F781 VanDerWaalsContact C-N 3.28Å; P779-F781 PolarHBondContact O-N 3.01Å; F781-Y789 HydrophobicContact CD1-CE2 4.19Å
782	G	69.1	Low	81	Confident	70 Å²	70	69.6 Å²	69.6	72%	0.722	40%	0.398	S	S	*	.	S	Bend	trans	176.9	-56.9	175.8	0	0	0	0	0	114.8	E560	E560-G782 VanDerWaalsContact OE1-CA 3.3Å; E560-G782 WeakPolarHBondContact OE1-CA 3.14Å; E560-G782 PolarHBondContact OE1-N 2.99Å; E560-G782 VanDerWaalsContact OE1-N 3.11Å
783	G	70.3	Confident	82.1	Confident	35 Å²	35	63.9 Å²	63.9	36%	0.361	36%	0.363	S	S	.	.	S	Bend	trans	-95.2	-41.2	-172.8	0	0	0	0	0	114.9	E560	E560-G783 PolarHBondContact OE1-N 3.41Å; E560-G783 WeakPolarHBondContact OE2-CA 3.47Å; E560-G783 PolarHBondContact OE2-N 3.46Å
784	N	81.8	Confident	83.2	Confident	11 Å²	11	65.5 Å²	65.5	6%	0.059	36%	0.358	C	S	.	.	S	Bend	trans	-94	145.3	-169.7	-72.1	-42.6	0	0	0	115.1	F556 D557 E560 V788 Y789	F556-N784 VanDerWaalsContact CA-OD1 3.22Å; F556-N784 WeakPolarHBondContact CA-OD1 3.49Å; F556-N784 WeakPolarHBondContact CB-OD1 3.47Å; F556-N784 WeakPolarHBondContact CD1-OD1 3.22Å; D557-N784 PolarHBondContact N-OD1 3.36Å; D557-N784 PolarHBondContact O-ND2 3Å; E560-N784 WeakPolarHBondContact CB-ND2 3.47Å; E560-N784 PolarHBondContact OE2-N 3.29Å; N784-V788 HydrophobicContact CB-CB 4.43Å; N784-V788 HydrophobicContact CB-CG1 4.42Å; N784-Y789 HydrophobicContact CB-CE1 4.01Å; N784-Y789 PolarHBondContact O-OH 2.94Å
785	P	85.4	Confident	83.8	Confident	53 Å²	53	65.3 Å²	65.3	34%	0.344	36%	0.361	S	S	.	.			trans	-72.5	147	175.1	29	-33.2	0	0	0	112.2	F556 W787 V788	F556-P785 HydrophobicContact CD1-CG 4.46Å; F556-P785 HydrophobicContact CE1-CG 3.77Å; P785-W787 HydrophobicContact CG-CZ2 4.34Å; P785-W787 PolarHBondContact O-N 2.9Å; P785-V788 HydrophobicContact CG-CG2 3.89Å; P785-V788 VanDerWaalsContact O-CB 3.31Å; P785-V788 WeakPolarHBondContact O-CB 3.47Å; P785-V788 WeakPolarHBondContact O-CG2 3.48Å; P785-V788 PolarHBondContact O-N 3.2Å
786	W	85.7	Confident	84.4	Confident	195 Å²	195	63 Å²	63	74%	0.739	34%	0.337	S	S	*	.	H	α-helix	trans	-54.6	-30.3	-166	71.6	-91.6	0	0	0	116.3	V788 Y789	W786-V788 PolarHBondContact O-N 3.19Å; W786-Y789 HydrophobicContact CB-CD2 4.38Å; W786-Y789 HydrophobicContact CB-CE2 4.45Å; W786-Y789 WeakPolarHBondContact O-CB 3.39Å; W786-Y789 WeakPolarHBondContact O-CD2 3.37Å; W786-Y789 PolarHBondContact O-N 3.36Å
787	W	86.3	Confident	84.8	Confident	119 Å²	119	64.1 Å²	64.1	45%	0.451	35%	0.348	S	S	.	.	H	α-helix	trans	-69.2	-24	-179.5	63.2	-99.5	0	0	0	112.6	F556 P785 Y789 L790 A791	F556-W787 HydrophobicContact CE1-CH2 4.1Å; F556-W787 AromaticContact CE1-CZ2 3.91Å; F556-W787 HydrophobicContact CE1-CZ2 3.91Å; F556-W787 HydrophobicContact CE2-CH2 4.43Å; F556-W787 AromaticContact CZ-CH2 3.52Å; F556-W787 HydrophobicContact CZ-CH2 3.52Å; F556-W787 AromaticContact CZ-CZ2 3.55Å; F556-W787 HydrophobicContact CZ-CZ2 3.55Å; P785-W787 HydrophobicContact CG-CZ2 4.34Å; P785-W787 PolarHBondContact O-N 2.9Å; W787-Y789 VanDerWaalsContact C-N 3.27Å; W787-Y789 PolarHBondContact O-N 3.15Å; W787-L790 PolarHBondContact O-N 3.06Å; W787-A791 HydrophobicContact CE3-CB 4.21Å; W787-A791 HydrophobicContact CZ3-CB 4.36Å; W787-A791 PolarHBondContact O-N 2.86Å
788	V	85.2	Confident	84.7	Confident	6 Å²	6	59.2 Å²	59.2	4%	0.036	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-36.6	176.1	175.1	0	0	0	0	110.6	F556 F561 N784 P785 W786 L790 A791 A792	F556-V788 HydrophobicContact CD1-CG2 3.9Å; F556-V788 HydrophobicContact CE1-CG2 3.41Å; F556-V788 VanDerWaalsContact CE1-CG2 3.41Å; F556-V788 HydrophobicContact CZ-CG2 4.16Å; F561-V788 HydrophobicContact CD2-CG1 3.45Å; F561-V788 VanDerWaalsContact CD2-CG1 3.45Å; F561-V788 HydrophobicContact CE2-CG1 3.83Å; F561-V788 HydrophobicContact CG-CG1 4.39Å; N784-V788 HydrophobicContact CB-CB 4.43Å; N784-V788 HydrophobicContact CB-CG1 4.42Å; P785-V788 HydrophobicContact CG-CG2 3.89Å; P785-V788 VanDerWaalsContact O-CB 3.31Å; P785-V788 WeakPolarHBondContact O-CB 3.47Å; P785-V788 WeakPolarHBondContact O-CG2 3.48Å; P785-V788 PolarHBondContact O-N 3.2Å; W786-V788 PolarHBondContact O-N 3.19Å; V788-L790 PolarHBondContact O-N 3.4Å; V788-A791 PolarHBondContact O-N 2.63Å; V788-A792 VanDerWaalsContact O-CB 3.29Å; V788-A792 WeakPolarHBondContact O-CB 3.27Å; V788-A792 PolarHBondContact O-N 3.04Å
789	Y	87.7	Confident	84.9	Confident	32 Å²	32	59.1 Å²	59.1	13%	0.125	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-30.8	178.3	-48.7	-38.5	0	0	0	112.2	W564 W568 F781 N784 W786 W787	W564-Y789 HydrophobicContact CB-CD1 4.47Å; W564-Y789 AromaticContact CD1-CD1 3.23Å; W564-Y789 AromaticContact CD1-CE1 3.48Å; W564-Y789 VanDerWaalsContact CD1-CE1 3.48Å; W564-Y789 AromaticContact CD2-CD1 3.8Å; W564-Y789 HydrophobicContact CD2-CD1 3.8Å; W564-Y789 HydrophobicContact CD2-CG 4.03Å; W564-Y789 AromaticContact CE2-CD1 3.62Å; W564-Y789 AromaticContact CE2-CG 3.86Å; W564-Y789 AromaticContact CG-CD1 3.58Å; W564-Y789 HydrophobicContact CG-CD1 3.58Å; W564-Y789 HydrophobicContact CG-CE1 4.27Å; W564-Y789 HydrophobicContact CG-CG 4.25Å; W564-Y789 HydrophobicContact CZ2-CD1 4.45Å; W564-Y789 HydrophobicContact CZ2-CG 4.32Å; W564-Y789 AromaticContact NE1-CD1 3.25Å; W564-Y789 AromaticContact NE1-CE1 3.27Å; W564-Y789 VanDerWaalsContact NE1-CE1 3.27Å; W564-Y789 AromaticContact NE1-CG 3.95Å; W568-Y789 PolarHBondContact NE1-O 3.41Å; F781-Y789 HydrophobicContact CD1-CE2 4.19Å; N784-Y789 HydrophobicContact CB-CE1 4.01Å; N784-Y789 PolarHBondContact O-OH 2.94Å; W786-Y789 HydrophobicContact CB-CD2 4.38Å; W786-Y789 HydrophobicContact CB-CE2 4.45Å; W786-Y789 WeakPolarHBondContact O-CB 3.39Å; W786-Y789 WeakPolarHBondContact O-CD2 3.37Å; W786-Y789 PolarHBondContact O-N 3.36Å; W787-Y789 VanDerWaalsContact C-N 3.27Å; W787-Y789 PolarHBondContact O-N 3.15Å
790	L	88.9	Confident	85.2	Confident	116 Å²	116	56 Å²	56	61%	0.607	31%	0.307	S	S	*	.	H	α-helix	trans	-82.3	-41.6	173.4	-172.6	65	0	0	0	111.6	W787 V788 A792 A793	W787-L790 PolarHBondContact O-N 3.06Å; V788-L790 PolarHBondContact O-N 3.4Å; L790-A792 PolarHBondContact O-N 2.92Å; L790-A793 VanDerWaalsContact O-CB 3.28Å; L790-A793 WeakPolarHBondContact O-CB 3.44Å; L790-A793 PolarHBondContact O-N 3.47Å; L790-A793 VanDerWaalsContact O-N 3.16Å
791	A	87.1	Confident	85.5	Confident	49 Å²	49	56.1 Å²	56.1	41%	0.405	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-31.1	177.3	0	0	0	0	0	112.9	W787 V788 A793 L794 P795	W787-A791 HydrophobicContact CE3-CB 4.21Å; W787-A791 HydrophobicContact CZ3-CB 4.36Å; W787-A791 PolarHBondContact O-N 2.86Å; V788-A791 PolarHBondContact O-N 2.63Å; A791-A793 PolarHBondContact O-N 2.7Å; A791-A793 VanDerWaalsContact O-N 3.13Å; A791-L794 PolarHBondContact O-N 2.7Å; A791-P795 VanDerWaalsContact O-CD 3.23Å; A791-P795 WeakPolarHBondContact O-CD 3.05Å
792	A	88.7	Confident	85.7	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.9	173.9	0	0	0	0	0	114	F561 W564 I565 V788 L790 L794 P795 A796	F561-A792 HydrophobicContact CD2-CB 4.33Å; F561-A792 HydrophobicContact CE2-CB 4Å; W564-A792 HydrophobicContact CB-CB 4.1Å; I565-A792 HydrophobicContact CG1-CB 3.81Å; V788-A792 VanDerWaalsContact O-CB 3.29Å; V788-A792 WeakPolarHBondContact O-CB 3.27Å; V788-A792 PolarHBondContact O-N 3.04Å; L790-A792 PolarHBondContact O-N 2.92Å; A792-L794 VanDerWaalsContact C-N 3.25Å; A792-L794 PolarHBondContact O-N 3.23Å; A792-P795 WeakPolarHBondContact O-CD 3.42Å; A792-A796 VanDerWaalsContact O-CB 3.23Å; A792-A796 WeakPolarHBondContact O-CB 3.21Å; A792-A796 PolarHBondContact O-N 3.33Å
793	A	90.4	Very high	86.6	Confident	21 Å²	21	46.5 Å²	46.5	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-29.4	177.3	0	0	0	0	0	113.2	W568 F572 L790 A791 L797	W568-A793 HydrophobicContact CD2-CB 4.16Å; W568-A793 HydrophobicContact CG-CB 4.21Å; F572-A793 HydrophobicContact CZ-CB 4.36Å; L790-A793 VanDerWaalsContact O-CB 3.28Å; L790-A793 WeakPolarHBondContact O-CB 3.44Å; L790-A793 PolarHBondContact O-N 3.47Å; L790-A793 VanDerWaalsContact O-N 3.16Å; A791-A793 PolarHBondContact O-N 2.7Å; A791-A793 VanDerWaalsContact O-N 3.13Å; A793-L797 WeakPolarHBondContact O-CB 3.45Å; A793-L797 PolarHBondContact O-N 3.01Å
794	L	87.9	Confident	87.5	Confident	126 Å²	126	45.5 Å²	45.5	66%	0.66	23%	0.23	S	C	*	.	H	α-helix	trans	-74	-49.6	-179.3	-177.9	157.1	0	0	0	112.3	A791 A792 A796 L797 L798	A791-L794 PolarHBondContact O-N 2.7Å; A792-L794 VanDerWaalsContact C-N 3.25Å; A792-L794 PolarHBondContact O-N 3.23Å; L794-A796 VanDerWaalsContact C-N 3.29Å; L794-A796 PolarHBondContact O-N 3.38Å; L794-L797 PolarHBondContact O-N 3.09Å; L794-L798 PolarHBondContact O-N 2.96Å
795	P	87.3	Confident	87.5	Confident	29 Å²	29	45 Å²	45	19%	0.188	23%	0.227	C	C	.	.	H	α-helix	trans	-58.6	-38.8	167.3	-25.7	34.4	0	0	0	113	F539 F561 I565 A791 A792 L797 L798 V799	F539-P795 HydrophobicContact CE2-CB 4.47Å; F539-P795 HydrophobicContact CZ-CB 4.06Å; F561-P795 HydrophobicContact CZ-CG 4.48Å; I565-P795 HydrophobicContact CD1-CB 3.87Å; I565-P795 HydrophobicContact CD1-CG 4.41Å; I565-P795 HydrophobicContact CG1-CB 4.26Å; A791-P795 VanDerWaalsContact O-CD 3.23Å; A791-P795 WeakPolarHBondContact O-CD 3.05Å; A792-P795 WeakPolarHBondContact O-CD 3.42Å; P795-L797 VanDerWaalsContact C-N 3.33Å; P795-L797 PolarHBondContact O-N 2.92Å; P795-L798 WeakPolarHBondContact O-CB 3.27Å; P795-L798 PolarHBondContact O-N 3.13Å; P795-V799 WeakPolarHBondContact O-CG2 3.47Å; P795-V799 PolarHBondContact O-N 2.88Å
796	A	91.3	Very high	87.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-38.1	178.2	0	0	0	0	0	113.1	I565 W568 F572 A792 L794 L798 V799 T800	I565-A796 HydrophobicContact CG2-CB 4.17Å; I565-A796 WeakPolarHBondContact O-CB 3.49Å; W568-A796 HydrophobicContact CB-CB 3.43Å; W568-A796 VanDerWaalsContact CB-CB 3.43Å; F572-A796 HydrophobicContact CD2-CB 4.48Å; F572-A796 HydrophobicContact CE2-CB 4.2Å; A792-A796 VanDerWaalsContact O-CB 3.23Å; A792-A796 WeakPolarHBondContact O-CB 3.21Å; A792-A796 PolarHBondContact O-N 3.33Å; L794-A796 VanDerWaalsContact C-N 3.29Å; L794-A796 PolarHBondContact O-N 3.38Å; A796-L798 VanDerWaalsContact C-N 3.34Å; A796-L798 PolarHBondContact O-N 3.02Å; A796-V799 PolarHBondContact O-N 2.99Å; A796-T800 WeakPolarHBondContact O-CB 3.15Å; A796-T800 PolarHBondContact O-N 3.29Å; A796-T800 PolarHBondContact O-OG1 3.47Å
797	L	89.7	Confident	87.6	Confident	92 Å²	92	33.6 Å²	33.6	48%	0.482	18%	0.177	S	C	.	.	H	α-helix	trans	-62.3	-40.1	175	-178.6	145.1	0	0	0	111.9	F572 A793 L794 P795 T800 I801	F572-L797 HydrophobicContact CD2-CB 4.46Å; F572-L797 HydrophobicContact CE2-CB 4.16Å; A793-L797 WeakPolarHBondContact O-CB 3.45Å; A793-L797 PolarHBondContact O-N 3.01Å; L794-L797 PolarHBondContact O-N 3.09Å; P795-L797 VanDerWaalsContact C-N 3.33Å; P795-L797 PolarHBondContact O-N 2.92Å; L797-T800 PolarHBondContact O-N 2.96Å; L797-I801 HydrophobicContact CD2-CD1 3.76Å; L797-I801 WeakPolarHBondContact O-CG1 3.43Å; L797-I801 PolarHBondContact O-N 3.01Å
798	L	86	Confident	87.6	Confident	31 Å²	31	28 Å²	28	16%	0.162	16%	0.156	C	C	.	.	H	α-helix	trans	-64.9	-42.1	174.4	-75.7	158.2	0	0	0	112.1	L794 P795 A796 I801 L802 I982	L794-L798 PolarHBondContact O-N 2.96Å; P795-L798 WeakPolarHBondContact O-CB 3.27Å; P795-L798 PolarHBondContact O-N 3.13Å; A796-L798 VanDerWaalsContact C-N 3.34Å; A796-L798 PolarHBondContact O-N 3.02Å; L798-I801 PolarHBondContact O-N 3.38Å; L798-L802 PolarHBondContact O-N 3.37Å; L798-I982 HydrophobicContact CD1-CG2 3.72Å
799	V	88.1	Confident	87.5	Confident	4 Å²	4	28 Å²	28	2%	0.024	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-41.6	174.8	176.2	0	0	0	0	111.5	F539 I565 P795 A796 I801 L802 I803	F539-V799 HydrophobicContact CD1-CG2 3.67Å; F539-V799 HydrophobicContact CD2-CG2 3.82Å; F539-V799 HydrophobicContact CE1-CG2 3.3Å; F539-V799 HydrophobicContact CE2-CG2 3.46Å; F539-V799 VanDerWaalsContact CE2-CG2 3.46Å; F539-V799 HydrophobicContact CG-CG2 3.92Å; F539-V799 HydrophobicContact CZ-CG2 3.19Å; I565-V799 HydrophobicContact CG2-CG2 4.25Å; P795-V799 WeakPolarHBondContact O-CG2 3.47Å; P795-V799 PolarHBondContact O-N 2.88Å; A796-V799 PolarHBondContact O-N 2.99Å; V799-I801 PolarHBondContact O-N 3.48Å; V799-L802 WeakPolarHBondContact O-CB 3.36Å; V799-L802 PolarHBondContact O-N 3.36Å; V799-I803 HydrophobicContact CG1-CD1 3.57Å; V799-I803 HydrophobicContact CG1-CG1 4.17Å; V799-I803 WeakPolarHBondContact O-CG1 3.45Å; V799-I803 PolarHBondContact O-N 3.18Å
800	T	90.8	Very high	87.3	Confident	6 Å²	6	26.6 Å²	26.6	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-59.9	-44.9	175.8	-63.4	0	0	0	0	111.3	S569 F572 L576 A796 L797 I803 F804	S569-T800 VanDerWaalsContact CA-OG1 3.25Å; S569-T800 WeakPolarHBondContact CA-OG1 3.22Å; S569-T800 PolarHBondContact O-OG1 3.01Å; S569-T800 PolarHBondContact OG-N 3.07Å; S569-T800 PolarHBondContact OG-OG1 3.35Å; F572-T800 HydrophobicContact CB-CG2 3.63Å; L576-T800 HydrophobicContact CD1-CG2 3.71Å; A796-T800 WeakPolarHBondContact O-CB 3.15Å; A796-T800 PolarHBondContact O-N 3.29Å; A796-T800 PolarHBondContact O-OG1 3.47Å; L797-T800 PolarHBondContact O-N 2.96Å; T800-I803 PolarHBondContact O-N 3.03Å; T800-F804 WeakPolarHBondContact O-CB 3.14Å; T800-F804 PolarHBondContact O-N 3.3Å
801	I	87.5	Confident	87.1	Confident	41 Å²	41	21.1 Å²	21.1	21%	0.21	12%	0.122	C	C	.	.	H	α-helix	trans	-63	-44.7	175.8	-61.4	165.6	0	0	0	109.7	L797 L798 V799 I803 F804 M805 P985 V986 L989	L797-I801 HydrophobicContact CD2-CD1 3.76Å; L797-I801 WeakPolarHBondContact O-CG1 3.43Å; L797-I801 PolarHBondContact O-N 3.01Å; L798-I801 PolarHBondContact O-N 3.38Å; V799-I801 PolarHBondContact O-N 3.48Å; I801-I803 PolarHBondContact O-N 3.43Å; I801-F804 PolarHBondContact O-N 3.43Å; I801-M805 HydrophobicContact CG2-CG 4.21Å; I801-M805 WeakPolarHBondContact O-CB 3.49Å; I801-M805 WeakPolarHBondContact O-CG 3.39Å; I801-M805 PolarHBondContact O-N 3.27Å; I801-P985 HydrophobicContact CB-CB 4.2Å; I801-P985 HydrophobicContact CG2-CB 3.62Å; I801-V986 HydrophobicContact CD1-CG2 4.4Å; I801-L989 HydrophobicContact CG2-CD1 4.22Å
802	L	85.4	Confident	86.8	Confident	10 Å²	10	20.3 Å²	20.3	5%	0.052	11%	0.112	C	C	.	.	H	α-helix	trans	-55.9	-53.3	176.5	179.4	68.1	0	0	0	112.3	P535 V536 L798 V799 F804 M805 D806 P985	P535-L802 HydrophobicContact CB-CD1 3.49Å; P535-L802 VanDerWaalsContact CB-CD1 3.49Å; P535-L802 HydrophobicContact CB-CD2 3.93Å; P535-L802 HydrophobicContact CB-CG 4.25Å; P535-L802 HydrophobicContact CG-CD1 4.38Å; V536-L802 HydrophobicContact CG2-CD2 4.01Å; L798-L802 PolarHBondContact O-N 3.37Å; V799-L802 WeakPolarHBondContact O-CB 3.36Å; V799-L802 PolarHBondContact O-N 3.36Å; L802-F804 PolarHBondContact O-N 3.39Å; L802-M805 PolarHBondContact O-N 3.06Å; L802-D806 PolarHBondContact O-N 2.93Å; L802-P985 HydrophobicContact CB-CB 4.32Å; L802-P985 HydrophobicContact CB-CG 3.67Å; L802-P985 HydrophobicContact CD1-CG 3.85Å; L802-P985 HydrophobicContact CG-CG 4.34Å
803	I	88.1	Confident	86.5	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.4	-40.9	-177	-67.1	173.9	0	0	0	110.9	V799 T800 I801 M805 Q807 V834 M838 V850	V799-I803 HydrophobicContact CG1-CD1 3.57Å; V799-I803 HydrophobicContact CG1-CG1 4.17Å; V799-I803 WeakPolarHBondContact O-CG1 3.45Å; V799-I803 PolarHBondContact O-N 3.18Å; T800-I803 PolarHBondContact O-N 3.03Å; I801-I803 PolarHBondContact O-N 3.43Å; I803-M805 VanDerWaalsContact C-N 3.33Å; I803-M805 PolarHBondContact O-N 3.04Å; I803-Q807 WeakPolarHBondContact O-CB 3.49Å; I803-Q807 PolarHBondContact O-N 3.24Å; I803-V834 HydrophobicContact CG2-CG1 3.77Å; I803-M838 HydrophobicContact CD1-CE 3.31Å; I803-M838 HydrophobicContact CD1-CG 4.3Å; I803-M838 HydrophobicContact CD1-SD 3.72Å; I803-V850 HydrophobicContact CB-CG2 4.47Å; I803-V850 HydrophobicContact CG1-CG2 3.95Å; I803-V850 HydrophobicContact CG2-CG1 4.46Å; I803-V850 HydrophobicContact CG2-CG2 4.23Å
804	F	88.4	Confident	86.1	Confident	15 Å²	15	20 Å²	20	7%	0.066	11%	0.107	C	C	.	.	H	α-helix	trans	-59.5	-44.5	175.5	179.6	-96.3	0	0	0	111.5	L576 A581 T800 I801 L802 Q808 L831	L576-F804 HydrophobicContact CD1-CB 4.35Å; L576-F804 HydrophobicContact CD1-CD2 3.91Å; L576-F804 HydrophobicContact CD1-CG 4.23Å; A581-F804 HydrophobicContact CB-CE2 4.37Å; T800-F804 WeakPolarHBondContact O-CB 3.14Å; T800-F804 PolarHBondContact O-N 3.3Å; I801-F804 PolarHBondContact O-N 3.43Å; L802-F804 PolarHBondContact O-N 3.39Å; F804-Q808 HydrophobicContact CD2-CG 4.17Å; F804-Q808 HydrophobicContact CE1-CG 4.46Å; F804-Q808 HydrophobicContact CE2-CG 3.96Å; F804-Q808 HydrophobicContact CZ-CG 4.11Å; F804-Q808 VanDerWaalsContact O-CB 3.29Å; F804-Q808 WeakPolarHBondContact O-CB 3.34Å; F804-Q808 VanDerWaalsContact O-CG 3.23Å; F804-Q808 WeakPolarHBondContact O-CG 3.18Å; F804-Q808 PolarHBondContact O-N 3.12Å; F804-L831 HydrophobicContact CD2-CD1 4.37Å; F804-L831 HydrophobicContact CD2-CD2 3.71Å; F804-L831 HydrophobicContact CE2-CD2 3.89Å
805	M	82.7	Confident	85.9	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-66.9	-53.5	179.2	-63.1	-68.3	-74	0	0	111.7	F588 I801 L802 I803 Q807 Q808 I809 I988 L989	F588-M805 HydrophobicContact CE1-CE 3.61Å; F588-M805 HydrophobicContact CE1-SD 4.29Å; F588-M805 HydrophobicContact CE2-SD 4.42Å; F588-M805 HydrophobicContact CZ-CE 3.52Å; F588-M805 HydrophobicContact CZ-SD 3.56Å; F588-M805 VanDerWaalsContact CZ-SD 3.56Å; I801-M805 HydrophobicContact CG2-CG 4.21Å; I801-M805 WeakPolarHBondContact O-CB 3.49Å; I801-M805 WeakPolarHBondContact O-CG 3.39Å; I801-M805 PolarHBondContact O-N 3.27Å; L802-M805 PolarHBondContact O-N 3.06Å; I803-M805 VanDerWaalsContact C-N 3.33Å; I803-M805 PolarHBondContact O-N 3.04Å; M805-Q807 VanDerWaalsContact C-N 3.33Å; M805-Q807 PolarHBondContact O-N 2.83Å; M805-Q808 PolarHBondContact O-N 3.02Å; M805-I809 HydrophobicContact CB-CD1 4.48Å; M805-I809 HydrophobicContact CE-CD1 4.5Å; M805-I809 VanDerWaalsContact O-CB 3.31Å; M805-I809 WeakPolarHBondContact O-CB 3.41Å; M805-I809 WeakPolarHBondContact O-CD1 3.39Å; M805-I809 WeakPolarHBondContact O-CG1 3.46Å; M805-I809 PolarHBondContact O-N 3.29Å; M805-I988 HydrophobicContact CE-CB 3.72Å; M805-I988 HydrophobicContact CE-CG2 3.36Å; M805-L989 HydrophobicContact CE-CD2 3.78Å; M805-L989 HydrophobicContact CE-CG 3.9Å; M805-L989 HydrophobicContact SD-CD2 3.65Å; M805-L989 HydrophobicContact SD-CG 3.99Å
806	D	83.7	Confident	85.4	Confident	7 Å²	7	15.5 Å²	15.5	4%	0.037	8%	0.08	C	C	.	.	H	α-helix	trans	-58.5	-43.6	179.9	-86.6	14.8	0	0	0	111.3	T533 F596 L802 T810 V850	T533-D806 PolarHBondContact OG1-OD2 2.98Å; F596-D806 WeakPolarHBondContact CZ-OD1 3.41Å; L802-D806 PolarHBondContact O-N 2.93Å; D806-T810 WeakPolarHBondContact O-CB 3.2Å; D806-T810 PolarHBondContact O-N 2.98Å; D806-T810 PolarHBondContact O-OG1 3.08Å; D806-V850 HydrophobicContact CB-CB 4.47Å; D806-V850 HydrophobicContact CB-CG1 3.62Å
807	Q	88.9	Confident	84.4	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-67.7	-48.5	-179.6	-174	62.4	31.9	0	0	112.3	I803 M805 T810 A811 V834 V850 A851	I803-Q807 WeakPolarHBondContact O-CB 3.49Å; I803-Q807 PolarHBondContact O-N 3.24Å; M805-Q807 VanDerWaalsContact C-N 3.33Å; M805-Q807 PolarHBondContact O-N 2.83Å; Q807-T810 PolarHBondContact O-N 3.21Å; Q807-A811 WeakPolarHBondContact O-CB 3.47Å; Q807-A811 PolarHBondContact O-N 3.45Å; Q807-V834 HydrophobicContact CG-CG2 4.34Å; Q807-V850 HydrophobicContact CB-CG1 4.05Å; Q807-A851 VanDerWaalsContact OE1-N 3.08Å
808	Q	86.4	Confident	83.5	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-74.1	-37.9	-174.7	-66.6	-62	-15.6	0	0	112.5	V585 F804 M805 T810 A811 V812 Y827	V585-Q808 HydrophobicContact CG2-CB 3.69Å; V585-Q808 HydrophobicContact CG2-CG 3.79Å; F804-Q808 HydrophobicContact CD2-CG 4.17Å; F804-Q808 HydrophobicContact CE1-CG 4.46Å; F804-Q808 HydrophobicContact CE2-CG 3.96Å; F804-Q808 HydrophobicContact CZ-CG 4.11Å; F804-Q808 VanDerWaalsContact O-CB 3.29Å; F804-Q808 WeakPolarHBondContact O-CB 3.34Å; F804-Q808 VanDerWaalsContact O-CG 3.23Å; F804-Q808 WeakPolarHBondContact O-CG 3.18Å; F804-Q808 PolarHBondContact O-N 3.12Å; M805-Q808 PolarHBondContact O-N 3.02Å; Q808-T810 VanDerWaalsContact C-N 3.31Å; Q808-T810 PolarHBondContact O-N 3.45Å; Q808-A811 PolarHBondContact O-N 3.31Å; Q808-V812 WeakPolarHBondContact O-CG2 3.21Å; Q808-V812 PolarHBondContact O-N 3.23Å; Q808-Y827 PolarHBondContact NE2-O 2.97Å
809	I	82.4	Confident	83.1	Confident	7 Å²	7	21.7 Å²	21.7	4%	0.036	10%	0.103	C	C	.	.	H	α-helix	trans	-60	-45	172.8	-67.7	167.8	0	0	0	109.6	F596 M805 A811 V812 I813 I988	F596-I809 HydrophobicContact CD1-CD1 4.17Å; F596-I809 HydrophobicContact CD1-CG2 4.01Å; F596-I809 HydrophobicContact CE1-CD1 4.4Å; F596-I809 HydrophobicContact CE1-CG2 4.42Å; F596-I809 HydrophobicContact CG-CD1 4.42Å; M805-I809 HydrophobicContact CB-CD1 4.48Å; M805-I809 HydrophobicContact CE-CD1 4.5Å; M805-I809 VanDerWaalsContact O-CB 3.31Å; M805-I809 WeakPolarHBondContact O-CB 3.41Å; M805-I809 WeakPolarHBondContact O-CD1 3.39Å; M805-I809 WeakPolarHBondContact O-CG1 3.46Å; M805-I809 PolarHBondContact O-N 3.29Å; I809-A811 PolarHBondContact O-N 2.86Å; I809-V812 PolarHBondContact O-N 3.29Å; I809-I813 HydrophobicContact CG2-CD1 3.73Å; I809-I813 HydrophobicContact CG2-CG1 4.48Å; I809-I813 WeakPolarHBondContact O-CD1 3.18Å; I809-I813 VanDerWaalsContact O-CG1 3.29Å; I809-I813 WeakPolarHBondContact O-CG1 3.5Å; I809-I813 PolarHBondContact O-N 3.5Å; I809-I988 HydrophobicContact CD1-CG2 4.43Å
810	T	84.5	Confident	82.6	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.012	12%	0.123	C	C	.	.	H	α-helix	trans	-63.1	-41.2	176.7	-52	0	0	0	0	112.1	T528 D806 Q807 Q808 V812 I813 V814 A851 T853	T528-T810 HydrophobicContact CG2-CG2 4.23Å; D806-T810 WeakPolarHBondContact O-CB 3.2Å; D806-T810 PolarHBondContact O-N 2.98Å; D806-T810 PolarHBondContact O-OG1 3.08Å; Q807-T810 PolarHBondContact O-N 3.21Å; Q808-T810 VanDerWaalsContact C-N 3.31Å; Q808-T810 PolarHBondContact O-N 3.45Å; T810-V812 VanDerWaalsContact C-N 3.33Å; T810-V812 PolarHBondContact O-N 3.18Å; T810-I813 PolarHBondContact O-N 3.26Å; T810-V814 HydrophobicContact CG2-CG2 4.21Å; T810-V814 WeakPolarHBondContact O-CB 3.21Å; T810-V814 VanDerWaalsContact O-CG2 3.25Å; T810-V814 WeakPolarHBondContact O-CG2 3.32Å; T810-V814 PolarHBondContact O-N 3.32Å; T810-A851 HydrophobicContact CG2-CB 3.61Å; T810-A851 PolarHBondContact OG1-O 2.92Å; T810-T853 HydrophobicContact CG2-CG2 4.06Å; T810-T853 WeakPolarHBondContact OG1-CG2 3.49Å
811	A	84.9	Confident	82.3	Confident	1 Å²	1	28 Å²	28	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-37.1	177.1	0	0	0	0	0	112.7	Q807 Q808 I809 N815 Y827	Q807-A811 WeakPolarHBondContact O-CB 3.47Å; Q807-A811 PolarHBondContact O-N 3.45Å; Q808-A811 PolarHBondContact O-N 3.31Å; I809-A811 PolarHBondContact O-N 2.86Å; A811-N815 VanDerWaalsContact O-CB 3.25Å; A811-N815 WeakPolarHBondContact O-CB 3.01Å; A811-N815 VanDerWaalsContact O-CG 3.27Å; A811-N815 PolarHBondContact O-N 3.03Å; A811-N815 PolarHBondContact O-ND2 3.04Å; A811-Y827 HydrophobicContact CB-CD1 3.71Å; A811-Y827 HydrophobicContact CB-CE1 3.87Å
812	V	81	Confident	81.8	Confident	32 Å²	32	34.3 Å²	34.3	19%	0.194	16%	0.157	C	C	.	.	H	α-helix	trans	-66.7	-48.3	174.3	172.7	0	0	0	0	111.7	V585 Q808 I809 T810 V814 N815 R816 Y827	V585-V812 HydrophobicContact CG1-CG2 3.12Å; Q808-V812 WeakPolarHBondContact O-CG2 3.21Å; Q808-V812 PolarHBondContact O-N 3.23Å; I809-V812 PolarHBondContact O-N 3.29Å; T810-V812 VanDerWaalsContact C-N 3.33Å; T810-V812 PolarHBondContact O-N 3.18Å; V812-V814 VanDerWaalsContact C-N 3.29Å; V812-V814 PolarHBondContact O-N 3.45Å; V812-N815 CarbonylContact O-C 3.58Å; V812-N815 PolarHBondContact O-N 3.35Å; V812-R816 PolarHBondContact O-N 3.5Å; V812-Y827 HydrophobicContact CG2-CE1 4.18Å
813	I	81.4	Confident	81.7	Confident	13 Å²	13	34.7 Å²	34.7	7%	0.067	16%	0.158	C	C	.	.	H	α-helix	trans	-56.3	-45.9	178.4	-67.5	161.4	0	0	0	110.4	E593 I809 T810 R816 T853 I857	E593-I813 HydrophobicContact CG-CD1 3.97Å; E593-I813 HydrophobicContact CG-CG1 3.58Å; E593-I813 WeakPolarHBondContact OE1-CG1 3.41Å; I809-I813 HydrophobicContact CG2-CD1 3.73Å; I809-I813 HydrophobicContact CG2-CG1 4.48Å; I809-I813 WeakPolarHBondContact O-CD1 3.18Å; I809-I813 VanDerWaalsContact O-CG1 3.29Å; I809-I813 WeakPolarHBondContact O-CG1 3.5Å; I809-I813 PolarHBondContact O-N 3.5Å; T810-I813 PolarHBondContact O-N 3.26Å; I813-R816 WeakPolarHBondContact O-CB 3.25Å; I813-T853 HydrophobicContact CD1-CG2 3.85Å; I813-I857 HydrophobicContact CG2-CD1 3.81Å; I813-I857 HydrophobicContact CG2-CG1 3.79Å
814	V	82.5	Confident	81	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-43.3	178.9	166	0	0	0	0	111.7	Q525 L527 T810 V812 R816 L821 I860	Q525-V814 HydrophobicContact CG-CG1 3.5Å; Q525-V814 VanDerWaalsContact CG-CG1 3.5Å; L527-V814 HydrophobicContact CB-CG1 4.44Å; T810-V814 HydrophobicContact CG2-CG2 4.21Å; T810-V814 WeakPolarHBondContact O-CB 3.21Å; T810-V814 VanDerWaalsContact O-CG2 3.25Å; T810-V814 WeakPolarHBondContact O-CG2 3.32Å; T810-V814 PolarHBondContact O-N 3.32Å; V812-V814 VanDerWaalsContact C-N 3.29Å; V812-V814 PolarHBondContact O-N 3.45Å; V814-R816 PolarHBondContact O-N 3.33Å; V814-L821 VanDerWaalsContact O-CD1 3.27Å; V814-L821 WeakPolarHBondContact O-CD1 3.48Å; V814-I860 HydrophobicContact CB-CD1 4.05Å; V814-I860 HydrophobicContact CG1-CD1 3.86Å; V814-I860 HydrophobicContact CG2-CD1 3.96Å
815	N	82.6	Confident	80.6	Confident	24 Å²	24	35.5 Å²	35.5	13%	0.128	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	19.2	-175.2	-66	-45.4	0	0	0	113.9	Q525 A811 V812 A825	Q525-N815 WeakPolarHBondContact CG-OD1 3.46Å; Q525-N815 PolarHBondContact NE2-OD1 2.84Å; Q525-N815 VanDerWaalsContact NE2-OD1 3.16Å; A811-N815 VanDerWaalsContact O-CB 3.25Å; A811-N815 WeakPolarHBondContact O-CB 3.01Å; A811-N815 VanDerWaalsContact O-CG 3.27Å; A811-N815 PolarHBondContact O-N 3.03Å; A811-N815 PolarHBondContact O-ND2 3.04Å; V812-N815 CarbonylContact O-C 3.58Å; V812-N815 PolarHBondContact O-N 3.35Å; N815-A825 HydrophobicContact CB-CB 4.18Å
816	R	77.2	Confident	80.8	Confident	37 Å²	37	35.4 Å²	35.4	14%	0.14	17%	0.17	C	C	.	.			trans	-65.5	133.2	-176.1	-159.2	160.6	-173.2	-104.7	-25.8	111.7	R590 V812 I813 V814 E818 H819	R590-R816 VanDerWaalsContact NH1-NH2 3.19Å; V812-R816 PolarHBondContact O-N 3.5Å; I813-R816 WeakPolarHBondContact O-CB 3.25Å; V814-R816 PolarHBondContact O-N 3.33Å; R816-E818 HydrophobicContact CG-CB 4.45Å; R816-E818 VanDerWaalsContact CZ-CD 3.41Å; R816-E818 IonicContact CZ-OE1 2.71Å; R816-E818 IonicContact CZ-OE2 3.96Å; R816-E818 IonicContact NH1-OE1 3.36Å; R816-E818 PolarHBondContact NH1-OE1 3.37Å; R816-E818 VanDerWaalsContact NH1-OE1 3.08Å; R816-E818 IonicContact NH1-OE2 3.68Å; R816-E818 PolarHBondContact NH1-OE2 2.95Å; R816-E818 IonicContact NH2-OE1 3.97Å; R816-E818 PolarHBondContact NH2-OE1 3.09Å; R816-E818 IonicContact NH2-OE2 3.77Å; R816-E818 PolarHBondContact O-N 2.87Å; R816-E818 VanDerWaalsContact O-N 3.07Å; R816-H819 WeakPolarHBondContact O-CB 3.48Å; R816-H819 PolarHBondContact O-N 3.5Å
817	K	70.6	Confident	81	Confident	165 Å²	165	35.9 Å²	35.9	72%	0.717	17%	0.171	S	C	*	.	G	3₁₀ helix	trans	-55.1	-30	-178.6	-68.4	-177.5	179.4	177.2	0	113.3	H819 K820 V1013	K817-H819 PolarHBondContact O-N 2.86Å; K817-K820 PolarHBondContact O-N 2.83Å; K817-V1013 HydrophobicContact CB-CG1 4.45Å
818	E	71.1	Confident	81	Confident	58 Å²	58	36.2 Å²	36.2	27%	0.271	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-55.8	-29.9	174.6	-70.3	-178.1	-166.6	0	0	113.4	R816 K820 F878	R816-E818 HydrophobicContact CG-CB 4.45Å; R816-E818 VanDerWaalsContact CZ-CD 3.41Å; R816-E818 IonicContact CZ-OE1 2.71Å; R816-E818 IonicContact CZ-OE2 3.96Å; R816-E818 IonicContact NH1-OE1 3.36Å; R816-E818 PolarHBondContact NH1-OE1 3.37Å; R816-E818 VanDerWaalsContact NH1-OE1 3.08Å; R816-E818 IonicContact NH1-OE2 3.68Å; R816-E818 PolarHBondContact NH1-OE2 2.95Å; R816-E818 IonicContact NH2-OE1 3.97Å; R816-E818 PolarHBondContact NH2-OE1 3.09Å; R816-E818 IonicContact NH2-OE2 3.77Å; R816-E818 PolarHBondContact O-N 2.87Å; R816-E818 VanDerWaalsContact O-N 3.07Å; E818-K820 VanDerWaalsContact C-N 3.27Å; E818-K820 PolarHBondContact O-N 2.87Å; E818-F878 VanDerWaalsContact O-CE1 3.24Å; E818-F878 WeakPolarHBondContact O-CE1 3.44Å
819	H	76.6	Confident	81.2	Confident	30 Å²	30	37 Å²	37	14%	0.139	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-78.9	-4.3	177.9	-63.4	-50.4	0	0	0	114	R816 K817 L821 I860 F878 V881	R816-H819 WeakPolarHBondContact O-CB 3.48Å; R816-H819 PolarHBondContact O-N 3.5Å; K817-H819 PolarHBondContact O-N 2.86Å; H819-L821 HydrophobicContact CB-CD1 4.47Å; H819-L821 HydrophobicContact CB-CG 4.09Å; H819-L821 PolarHBondContact O-N 3.27Å; H819-I860 HydrophobicContact CB-CG2 4.46Å; H819-F878 WeakPolarHBondContact O-CZ 3.42Å; H819-V881 HydrophobicContact CB-CG2 4.23Å
820	K	79.1	Confident	81.7	Confident	102 Å²	102	36.7 Å²	36.7	44%	0.443	18%	0.175	S	C	.	.			trans	49.1	42.8	178.4	-57	178.7	-175	176.9	0	113.3	K817 E818 F878	K817-K820 PolarHBondContact O-N 2.83Å; E818-K820 VanDerWaalsContact C-N 3.27Å; E818-K820 PolarHBondContact O-N 2.87Å; K820-F878 HydrophobicContact CB-CE1 4.26Å; K820-F878 HydrophobicContact CD-CD1 4.11Å; K820-F878 HydrophobicContact CD-CE1 4.01Å; K820-F878 HydrophobicContact CG-CE1 4Å; K820-F878 PolarHBondContact NZ-O 2.83Å
821	L	82.4	Confident	82	Confident	42 Å²	42	36.6 Å²	36.6	22%	0.22	17%	0.174	C	C	.	.			trans	-63.7	145.5	174.7	-67.9	173.3	0	0	0	110.6	L527 V814 H819 V881 E883	L527-L821 HydrophobicContact CD1-CD2 4.04Å; V814-L821 VanDerWaalsContact O-CD1 3.27Å; V814-L821 WeakPolarHBondContact O-CD1 3.48Å; H819-L821 HydrophobicContact CB-CD1 4.47Å; H819-L821 HydrophobicContact CB-CG 4.09Å; H819-L821 PolarHBondContact O-N 3.27Å; L821-V881 HydrophobicContact CD2-CB 4.07Å; L821-E883 WeakPolarHBondContact CA-OE1 3.48Å; L821-E883 VanDerWaalsContact CB-OE1 3.28Å; L821-E883 WeakPolarHBondContact CB-OE1 3.38Å; L821-E883 HydrophobicContact CD2-CG 3.76Å; L821-E883 WeakPolarHBondContact CD2-OE1 3.4Å
822	K	79	Confident	82.4	Confident	172 Å²	172	39.2 Å²	39.2	75%	0.748	19%	0.186	S	C	*	.	S	Bend	trans	-111.3	-32.7	-172.7	-64.7	-176.8	178.2	-178.4	0	112.5	G824 E883	K822-G824 PolarHBondContact O-N 3.08Å; K822-E883 WeakPolarHBondContact CB-OE2 3.46Å; K822-E883 PolarHBondContact N-OE1 3.2Å; K822-E883 PolarHBondContact N-OE2 3.19Å
823	K	82.2	Confident	83	Confident	19 Å²	19	40.4 Å²	40.4	8%	0.083	19%	0.187	C	C	.	.	S	Bend	trans	-93.5	86.5	-179.9	-61.8	166.3	-165.8	177.4	0	107.9	K457 F460 D464 D467 E883	K457-K823 PolarHBondContact NZ-O 3.42Å; F460-K823 HydrophobicContact CB-CD 4.07Å; F460-K823 HydrophobicContact CB-CG 4.22Å; F460-K823 HydrophobicContact CD1-CD 4.38Å; F460-K823 HydrophobicContact CD1-CG 3.94Å; F460-K823 HydrophobicContact CD2-CG 4.41Å; F460-K823 HydrophobicContact CE1-CG 4.42Å; F460-K823 HydrophobicContact CG-CD 4.3Å; F460-K823 HydrophobicContact CG-CG 3.93Å; D464-K823 VanDerWaalsContact OD1-CD 3.29Å; D464-K823 WeakPolarHBondContact OD1-CD 3.17Å; D464-K823 WeakPolarHBondContact OD1-CE 3.38Å; D464-K823 IonicContact OD1-NZ 2.78Å; D464-K823 PolarHBondContact OD1-NZ 3.43Å; D467-K823 IonicContact OD2-NZ 2.78Å; D467-K823 PolarHBondContact OD2-NZ 3.35Å; K823-E883 WeakPolarHBondContact CB-OE2 3.37Å; K823-E883 HydrophobicContact CD-CB 3.78Å; K823-E883 WeakPolarHBondContact CD-OE2 3.31Å; K823-E883 VanDerWaalsContact CG-OE2 3.23Å; K823-E883 WeakPolarHBondContact CG-OE2 3.4Å; K823-E883 PolarHBondContact N-OE1 2.97Å; K823-E883 PolarHBondContact N-OE2 3.27Å; K823-E883 PolarHBondContact NZ-O 3.4Å
824	G	73.3	Confident	83.6	Confident	27 Å²	27	39.8 Å²	39.8	28%	0.278	18%	0.184	S	C	.	.			trans	-44.8	159.9	-172	0	0	0	0	0	116.5	E439 K457 K822	E439-G824 VanDerWaalsContact OE1-C 3.31Å; E439-G824 VanDerWaalsContact OE1-CA 3.29Å; E439-G824 WeakPolarHBondContact OE1-CA 3.36Å; K457-G824 WeakPolarHBondContact CE-O 3.23Å; K457-G824 PolarHBondContact NZ-O 3.23Å; K822-G824 PolarHBondContact O-N 3.08Å
825	A	80.4	Confident	84.2	Confident	4 Å²	4	39.8 Å²	39.8	3%	0.033	18%	0.184	C	C	.	.			trans	-71.4	170.2	-158.3	0	0	0	0	0	115.4	E439 R456 N815 Y827	E439-A825 VanDerWaalsContact CD-N 3.32Å; E439-A825 PolarHBondContact OE1-N 2.8Å; E439-A825 VanDerWaalsContact OE1-N 3.12Å; E439-A825 VanDerWaalsContact OE2-CB 3.3Å; E439-A825 WeakPolarHBondContact OE2-CB 3.35Å; E439-A825 PolarHBondContact OE2-N 3.49Å; R456-A825 PolarHBondContact NH1-O 3.42Å; N815-A825 HydrophobicContact CB-CB 4.18Å; A825-Y827 HydrophobicContact CB-CD2 4.02Å; A825-Y827 HydrophobicContact CB-CE2 3.41Å; A825-Y827 VanDerWaalsContact CB-CE2 3.41Å
826	G	86.3	Confident	84.7	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.			trans	-148.9	59.8	-176.8	0	0	0	0	0	114.4	D453 H828 L829 D830	D453-G826 VanDerWaalsContact OD2-C 3.28Å; D453-G826 WeakPolarHBondContact OD2-CA 3.35Å; G826-H828 PolarHBondContact O-N 3.02Å; G826-L829 PolarHBondContact O-N 3.48Å; G826-D830 PolarHBondContact O-N 3.09Å
827	Y	87.8	Confident	85.5	Confident	16 Å²	16	39.7 Å²	39.7	6%	0.063	19%	0.188	C	C	.	.	H	α-helix	trans	-62.1	-33.8	-172.4	-59.9	-83.9	0	0	0	115	L440 D453 Q808 A811 V812 A825 L831	L440-Y827 HydrophobicContact CD1-CE2 4.34Å; L440-Y827 HydrophobicContact CD2-CD2 3.83Å; L440-Y827 HydrophobicContact CD2-CE2 3.88Å; L440-Y827 HydrophobicContact CD2-CG 4.39Å; L440-Y827 HydrophobicContact CG-CD2 4.35Å; L440-Y827 HydrophobicContact CG-CE2 4.04Å; D453-Y827 PolarHBondContact OD2-N 3.19Å; Q808-Y827 PolarHBondContact NE2-O 2.97Å; A811-Y827 HydrophobicContact CB-CD1 3.71Å; A811-Y827 HydrophobicContact CB-CE1 3.87Å; V812-Y827 HydrophobicContact CG2-CE1 4.18Å; A825-Y827 HydrophobicContact CB-CD2 4.02Å; A825-Y827 HydrophobicContact CB-CE2 3.41Å; A825-Y827 VanDerWaalsContact CB-CE2 3.41Å; Y827-L831 PolarHBondContact O-N 3.37Å
828	H	90.1	Very high	86.6	Confident	8 Å²	8	32 Å²	32	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-78.1	-37.1	-179.3	-58.4	83.3	0	0	0	111.2	L450 D453 S582 G826 L831 F832	L450-H828 HydrophobicContact CB-CB 4.23Å; L450-H828 HydrophobicContact CD1-CB 4.35Å; D453-H828 WeakPolarHBondContact OD2-CB 3.36Å; D453-H828 IonicContact OD2-CG 3.02Å; D453-H828 PolarHBondContact OD2-N 3.07Å; D453-H828 IonicContact OD2-ND1 3.95Å; D453-H828 PolarHBondContact OD2-ND1 2.75Å; D453-H828 VanDerWaalsContact OD2-ND1 3.08Å; S582-H828 VanDerWaalsContact CB-NE2 3.34Å; S582-H828 WeakPolarHBondContact CB-NE2 3.44Å; S582-H828 PolarHBondContact OG-CD2 2.83Å; S582-H828 PolarHBondContact OG-NE2 3.4Å; G826-H828 PolarHBondContact O-N 3.02Å; H828-L831 PolarHBondContact O-N 2.99Å; H828-F832 WeakPolarHBondContact O-CB 3.46Å; H828-F832 PolarHBondContact O-N 3.38Å
829	L	90.8	Very high	87.7	Confident	17 Å²	17	31.4 Å²	31.4	9%	0.089	15%	0.153	C	C	.	.	H	α-helix	trans	-67.2	-39.4	179.5	-175.5	57.2	0	0	0	111.5	L450 D453 V454 G826 W833	L450-L829 HydrophobicContact CD1-CB 4.14Å; L450-L829 HydrophobicContact CD1-CD1 3.96Å; D453-L829 HydrophobicContact CB-CB 4.23Å; V454-L829 HydrophobicContact CG2-CD1 3.87Å; V454-L829 HydrophobicContact CG2-CD2 4.12Å; G826-L829 PolarHBondContact O-N 3.48Å; L829-W833 VanDerWaalsContact O-CD1 3.29Å; L829-W833 PolarHBondContact O-N 2.88Å
830	D	91.9	Very high	88.4	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-49.3	174.6	-70.4	-0.8	0	0	0	111.4	F519 A523 G524 Q525 G826 F832 W833 V834	F519-D830 HydrophobicContact CE2-CB 4.2Å; F519-D830 HydrophobicContact CZ-CB 4.13Å; A523-D830 WeakPolarHBondContact CB-OD1 3.44Å; G524-D830 VanDerWaalsContact CA-OD1 3.26Å; G524-D830 WeakPolarHBondContact CA-OD1 3.21Å; G524-D830 PolarHBondContact N-OD1 3.31Å; Q525-D830 WeakPolarHBondContact CB-OD2 3.27Å; Q525-D830 PolarHBondContact N-OD1 3.18Å; G826-D830 PolarHBondContact O-N 3.09Å; D830-F832 VanDerWaalsContact C-N 3.33Å; D830-F832 PolarHBondContact O-N 3.46Å; D830-W833 PolarHBondContact O-N 2.84Å; D830-V834 WeakPolarHBondContact O-CG2 3.29Å; D830-V834 PolarHBondContact O-N 3.46Å; D830-V834 VanDerWaalsContact O-N 3.08Å
831	L	91.3	Very high	89	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-36.4	179.1	-176.8	64.4	0	0	0	112.5	L576 V577 F804 Y827 H828 V834 A835	L576-L831 HydrophobicContact CB-CD2 4.45Å; V577-L831 HydrophobicContact CG2-CB 3.93Å; V577-L831 HydrophobicContact CG2-CD2 3.69Å; V577-L831 HydrophobicContact CG2-CG 3.67Å; F804-L831 HydrophobicContact CD2-CD1 4.37Å; F804-L831 HydrophobicContact CD2-CD2 3.71Å; F804-L831 HydrophobicContact CE2-CD2 3.89Å; Y827-L831 PolarHBondContact O-N 3.37Å; H828-L831 PolarHBondContact O-N 2.99Å; L831-V834 PolarHBondContact O-N 3.4Å; L831-A835 PolarHBondContact O-N 3.42Å
832	F	93.9	Very high	89.5	Confident	57 Å²	57	26.6 Å²	26.6	25%	0.25	13%	0.133	C	C	.	.	H	α-helix	trans	-60	-49.1	174.8	175.9	-98.1	0	0	0	111.9	L450 L574 V577 H828 D830 A835 V836	L450-F832 HydrophobicContact CD1-CB 4.02Å; L450-F832 HydrophobicContact CD1-CG 4.33Å; L450-F832 HydrophobicContact CD2-CD2 4.06Å; L450-F832 HydrophobicContact CD2-CG 4.27Å; L574-F832 HydrophobicContact CD2-CD2 3.64Å; L574-F832 HydrophobicContact CD2-CE2 3.7Å; V577-F832 HydrophobicContact CG1-CB 4.26Å; V577-F832 HydrophobicContact CG2-CB 4.31Å; H828-F832 WeakPolarHBondContact O-CB 3.46Å; H828-F832 PolarHBondContact O-N 3.38Å; D830-F832 VanDerWaalsContact C-N 3.33Å; D830-F832 PolarHBondContact O-N 3.46Å; F832-A835 WeakPolarHBondContact O-CB 3.37Å; F832-A835 PolarHBondContact O-N 2.88Å; F832-V836 HydrophobicContact CE1-CG2 4.04Å; F832-V836 HydrophobicContact CE2-CG2 4.34Å; F832-V836 HydrophobicContact CZ-CG2 3.96Å; F832-V836 WeakPolarHBondContact O-CG2 3.43Å; F832-V836 PolarHBondContact O-N 2.7Å
833	W	93.6	Very high	90.1	Very high	56 Å²	56	21.5 Å²	21.5	21%	0.212	11%	0.111	C	C	.	.	H	α-helix	trans	-68	-35.8	179.9	-79.5	112.3	0	0	0	113	V518 F519 L522 L829 D830 A835 V836 L837	V518-W833 HydrophobicContact CG1-CE3 4.35Å; V518-W833 HydrophobicContact CG1-CZ3 4.43Å; F519-W833 HydrophobicContact CD2-CB 4.12Å; L522-W833 HydrophobicContact CB-CD2 3.98Å; L522-W833 VanDerWaalsContact CB-CE2 3.49Å; L522-W833 HydrophobicContact CB-CG 4.32Å; L522-W833 HydrophobicContact CB-CZ2 3.83Å; L522-W833 HydrophobicContact CD1-CD2 4.41Å; L522-W833 HydrophobicContact CD1-CE3 4.34Å; L522-W833 HydrophobicContact CD1-CH2 3.45Å; L522-W833 VanDerWaalsContact CD1-CH2 3.45Å; L522-W833 HydrophobicContact CD1-CZ2 3.5Å; L522-W833 HydrophobicContact CD1-CZ3 3.89Å; L522-W833 HydrophobicContact CG-CZ2 4.15Å; L522-W833 PolarHBondContact O-NE1 3.22Å; L829-W833 VanDerWaalsContact O-CD1 3.29Å; L829-W833 PolarHBondContact O-N 2.88Å; D830-W833 PolarHBondContact O-N 2.84Å; W833-A835 VanDerWaalsContact C-N 3.34Å; W833-A835 PolarHBondContact O-N 3.27Å; W833-V836 HydrophobicContact CE3-CB 4.25Å; W833-V836 HydrophobicContact CE3-CG1 4.31Å; W833-V836 HydrophobicContact CZ3-CB 4.49Å; W833-V836 HydrophobicContact CZ3-CG1 4.11Å; W833-V836 PolarHBondContact O-N 2.82Å; W833-L837 WeakPolarHBondContact O-CB 3.41Å; W833-L837 VanDerWaalsContact O-CG 3.23Å; W833-L837 WeakPolarHBondContact O-CG 3.49Å; W833-L837 PolarHBondContact O-N 3.45Å
834	V	93.2	Very high	90.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-59.7	-44.4	170.3	172.9	0	0	0	0	110.8	F519 L530 I803 Q807 D830 L831 V836 L837 M838	F519-V834 HydrophobicContact CD2-CG2 4.21Å; F519-V834 HydrophobicContact CE2-CG2 3.91Å; L530-V834 HydrophobicContact CD2-CG2 4.22Å; I803-V834 HydrophobicContact CG2-CG1 3.77Å; Q807-V834 HydrophobicContact CG-CG2 4.34Å; D830-V834 WeakPolarHBondContact O-CG2 3.29Å; D830-V834 PolarHBondContact O-N 3.46Å; D830-V834 VanDerWaalsContact O-N 3.08Å; L831-V834 PolarHBondContact O-N 3.4Å; V834-V836 PolarHBondContact O-N 3.4Å; V834-L837 PolarHBondContact O-N 2.81Å; V834-M838 HydrophobicContact CG1-CG 4.24Å; V834-M838 WeakPolarHBondContact O-CB 3.38Å; V834-M838 WeakPolarHBondContact O-CG 3.49Å; V834-M838 PolarHBondContact O-N 2.79Å
835	A	94.3	Very high	91.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.2	-41.9	178.1	0	0	0	0	0	113.3	C573 L574 L831 F832 W833 I839	C573-A835 HydrophobicContact CB-CB 3.55Å; L574-A835 HydrophobicContact CD2-CB 3.99Å; L574-A835 HydrophobicContact CG-CB 4.03Å; L831-A835 PolarHBondContact O-N 3.42Å; F832-A835 WeakPolarHBondContact O-CB 3.37Å; F832-A835 PolarHBondContact O-N 2.88Å; W833-A835 VanDerWaalsContact C-N 3.34Å; W833-A835 PolarHBondContact O-N 3.27Å; A835-I839 PolarHBondContact O-N 2.84Å
836	V	94.6	Very high	91.5	Very high	49 Å²	49	21.8 Å²	21.8	30%	0.297	11%	0.105	S	C	.	.	H	α-helix	trans	-65.9	-44.1	176.1	174	0	0	0	0	111.2	F832 W833 V834 M838 I839 L840	F832-V836 HydrophobicContact CE1-CG2 4.04Å; F832-V836 HydrophobicContact CE2-CG2 4.34Å; F832-V836 HydrophobicContact CZ-CG2 3.96Å; F832-V836 WeakPolarHBondContact O-CG2 3.43Å; F832-V836 PolarHBondContact O-N 2.7Å; W833-V836 HydrophobicContact CE3-CB 4.25Å; W833-V836 HydrophobicContact CE3-CG1 4.31Å; W833-V836 HydrophobicContact CZ3-CB 4.49Å; W833-V836 HydrophobicContact CZ3-CG1 4.11Å; W833-V836 PolarHBondContact O-N 2.82Å; V834-V836 PolarHBondContact O-N 3.4Å; V836-M838 VanDerWaalsContact C-N 3.34Å; V836-M838 PolarHBondContact O-N 2.68Å; V836-I839 PolarHBondContact O-N 2.79Å; V836-L840 PolarHBondContact O-N 3.1Å
837	L	93.6	Very high	91.7	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.047	11%	0.106	C	C	.	.	H	α-helix	trans	-67.7	-32.9	178.9	-71.3	171.9	0	0	0	112.7	S515 V518 F519 L530 W833 V834 L840 C841	S515-L837 VanDerWaalsContact O-CD1 3.27Å; S515-L837 WeakPolarHBondContact O-CD1 3.45Å; V518-L837 HydrophobicContact CB-CD2 3.99Å; V518-L837 HydrophobicContact CG1-CD2 3.92Å; F519-L837 HydrophobicContact CB-CD1 3.93Å; L530-L837 HydrophobicContact CD1-CD1 4.08Å; W833-L837 WeakPolarHBondContact O-CB 3.41Å; W833-L837 VanDerWaalsContact O-CG 3.23Å; W833-L837 WeakPolarHBondContact O-CG 3.49Å; W833-L837 PolarHBondContact O-N 3.45Å; V834-L837 PolarHBondContact O-N 2.81Å; L837-L840 PolarHBondContact O-N 3.1Å; L837-C841 WeakPolarHBondContact O-CB 3.07Å; L837-C841 PolarHBondContact O-N 2.84Å; L837-C841 PolarHBondContact O-SG 2.81Å
838	M	92.6	Very high	91.9	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.015	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-45.8	173	-79.5	-68.7	-63.3	0	0	112.2	I803 V834 V836 S842 W848	I803-M838 HydrophobicContact CD1-CE 3.31Å; I803-M838 HydrophobicContact CD1-CG 4.3Å; I803-M838 HydrophobicContact CD1-SD 3.72Å; V834-M838 HydrophobicContact CG1-CG 4.24Å; V834-M838 WeakPolarHBondContact O-CB 3.38Å; V834-M838 WeakPolarHBondContact O-CG 3.49Å; V834-M838 PolarHBondContact O-N 2.79Å; V836-M838 VanDerWaalsContact C-N 3.34Å; V836-M838 PolarHBondContact O-N 2.68Å; M838-S842 WeakPolarHBondContact O-CB 3.05Å; M838-S842 PolarHBondContact O-N 2.75Å; M838-S842 PolarHBondContact O-OG 2.93Å; M838-W848 HydrophobicContact CE-CB 3.81Å; M838-W848 HydrophobicContact CE-CD2 3.8Å; M838-W848 HydrophobicContact CE-CG 3.34Å; M838-W848 HydrophobicContact SD-CB 3.52Å; M838-W848 VanDerWaalsContact SD-CB 3.52Å; M838-W848 HydrophobicContact SD-CG 3.6Å; M838-W848 VanDerWaalsContact SD-CG 3.6Å
839	I	93.9	Very high	92	Very high	47 Å²	47	21.1 Å²	21.1	24%	0.241	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-47.8	175.7	-68.5	167.5	0	0	0	110	L567 L574 A835 V836 S842 F843	L567-I839 HydrophobicContact CD2-CG1 4.49Å; L567-I839 HydrophobicContact CD2-CG2 3.9Å; L574-I839 HydrophobicContact CD1-CD1 4.42Å; A835-I839 PolarHBondContact O-N 2.84Å; V836-I839 PolarHBondContact O-N 2.79Å; I839-S842 PolarHBondContact O-N 3.47Å; I839-F843 HydrophobicContact CG2-CD2 4.07Å; I839-F843 HydrophobicContact CG2-CE2 3.82Å; I839-F843 WeakPolarHBondContact O-CD2 3.23Å; I839-F843 PolarHBondContact O-N 3.07Å
840	L	93.1	Very high	92	Very high	71 Å²	71	20.4 Å²	20.4	37%	0.372	10%	0.099	S	C	.	.	H	α-helix	trans	-64.6	-45.3	-178.6	-172.7	145.1	0	0	0	112.8	L514 V836 L837 S842 F843 M844	L514-L840 HydrophobicContact CD2-CD2 3.66Å; L514-L840 HydrophobicContact CG-CD2 4.3Å; V836-L840 PolarHBondContact O-N 3.1Å; L837-L840 PolarHBondContact O-N 3.1Å; L840-S842 PolarHBondContact O-N 3.08Å; L840-F843 PolarHBondContact O-N 3.05Å; L840-M844 HydrophobicContact CD2-SD 3.68Å; L840-M844 HydrophobicContact CG-SD 4.49Å; L840-M844 WeakPolarHBondContact O-CG 3.43Å; L840-M844 PolarHBondContact O-N 3.19Å
841	C	91.6	Very high	91.8	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.014	10%	0.099	C	C	.	.	H	α-helix	trans	-63.3	-32.4	176.4	-66.7	0	0	0	0	112.1	L837 M844 G845 L846	L837-C841 WeakPolarHBondContact O-CB 3.07Å; L837-C841 PolarHBondContact O-N 2.84Å; L837-C841 PolarHBondContact O-SG 2.81Å; C841-M844 PolarHBondContact O-N 3.48Å; C841-G845 PolarHBondContact O-N 2.86Å; C841-G845 VanDerWaalsContact O-N 3.15Å; C841-L846 HydrophobicContact CB-CB 4.09Å; C841-L846 PolarHBondContact O-N 3.43Å
842	S	92.6	Very high	91.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.7	-39.4	179.3	-56.7	0	0	0	0	112.6	G566 M838 I839 L840 M844 G845 W848	G566-S842 WeakPolarHBondContact CA-OG 3.18Å; M838-S842 WeakPolarHBondContact O-CB 3.05Å; M838-S842 PolarHBondContact O-N 2.75Å; M838-S842 PolarHBondContact O-OG 2.93Å; I839-S842 PolarHBondContact O-N 3.47Å; L840-S842 PolarHBondContact O-N 3.08Å; S842-M844 VanDerWaalsContact C-N 3.35Å; S842-G845 PolarHBondContact O-N 3.36Å; S842-W848 PolarHBondContact OG-NE1 3.38Å
843	F	91.3	Very high	91	Very high	65 Å²	65	19.3 Å²	19.3	29%	0.285	10%	0.098	S	C	.	.	H	α-helix	trans	-66.1	-35.5	172.3	-80.4	-66.7	0	0	0	113	L563 L567 F777 I778 I839 L840 G845	L563-F843 HydrophobicContact CD1-CD1 3.94Å; L563-F843 HydrophobicContact CD1-CE1 4.34Å; L567-F843 HydrophobicContact CD1-CZ 4.33Å; L567-F843 HydrophobicContact CD2-CD2 4.47Å; L567-F843 HydrophobicContact CD2-CE2 3.71Å; L567-F843 HydrophobicContact CD2-CZ 3.9Å; F777-F843 HydrophobicContact CE2-CB 4.01Å; F777-F843 HydrophobicContact CE2-CD1 4.03Å; F777-F843 HydrophobicContact CE2-CG 4.35Å; F777-F843 HydrophobicContact CZ-CD1 4.04Å; I778-F843 PolarHBondContact N-O 3.19Å; I778-F843 VanDerWaalsContact N-O 3.15Å; I839-F843 HydrophobicContact CG2-CD2 4.07Å; I839-F843 HydrophobicContact CG2-CE2 3.82Å; I839-F843 WeakPolarHBondContact O-CD2 3.23Å; I839-F843 PolarHBondContact O-N 3.07Å; L840-F843 PolarHBondContact O-N 3.05Å; F843-G845 VanDerWaalsContact C-N 3.32Å
844	M	88.8	Confident	90.3	Very high	55 Å²	55	18.8 Å²	18.8	27%	0.271	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.2	180	-65.1	-176.7	71.7	0	0	114.3	L510 L514 W776 L840 C841 S842 L846	L510-M844 HydrophobicContact CD2-CE 4.46Å; L514-M844 HydrophobicContact CD2-CE 4Å; L514-M844 HydrophobicContact CD2-SD 3.62Å; W776-M844 CarbonylContact O-C 3.55Å; W776-M844 WeakPolarHBondContact O-CA 3.45Å; W776-M844 VanDerWaalsContact O-O 3.05Å; L840-M844 HydrophobicContact CD2-SD 3.68Å; L840-M844 HydrophobicContact CG-SD 4.49Å; L840-M844 WeakPolarHBondContact O-CG 3.43Å; L840-M844 PolarHBondContact O-N 3.19Å; C841-M844 PolarHBondContact O-N 3.48Å; S842-M844 VanDerWaalsContact C-N 3.35Å; M844-L846 HydrophobicContact CB-CD1 3.65Å; M844-L846 HydrophobicContact CB-CG 3.67Å; M844-L846 HydrophobicContact CE-CD1 4.03Å; M844-L846 HydrophobicContact CG-CD1 4.42Å; M844-L846 PolarHBondContact O-N 2.94Å; M844-L846 HydrophobicContact SD-CD1 3.97Å
845	G	86.6	Confident	89.9	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.01	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	30.5	-177.6	0	0	0	0	0	114.5	Q503 R774 C841 S842 F843	Q503-G845 PolarHBondContact OE1-O 3.05Å; Q503-G845 VanDerWaalsContact OE1-O 3.08Å; R774-G845 PolarHBondContact NH1-O 3.3Å; R774-G845 PolarHBondContact NH2-O 3.49Å; C841-G845 PolarHBondContact O-N 2.86Å; C841-G845 VanDerWaalsContact O-N 3.15Å; S842-G845 PolarHBondContact O-N 3.36Å; F843-G845 VanDerWaalsContact C-N 3.32Å
846	L	90.3	Very high	89.5	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-93.4	160.5	180	-58.7	174.3	0	0	0	110.6	E507 L510 R562 W776 C841 M844	E507-L846 HydrophobicContact CB-CD2 3.94Å; E507-L846 HydrophobicContact CG-CD2 4.49Å; L510-L846 HydrophobicContact CB-CD2 4.5Å; L510-L846 HydrophobicContact CD2-CD2 4.32Å; R562-L846 PolarHBondContact NH2-O 2.88Å; W776-L846 HydrophobicContact CZ3-CD2 4.17Å; C841-L846 HydrophobicContact CB-CB 4.09Å; C841-L846 PolarHBondContact O-N 3.43Å; M844-L846 HydrophobicContact CB-CD1 3.65Å; M844-L846 HydrophobicContact CB-CG 3.67Å; M844-L846 HydrophobicContact CE-CD1 4.03Å; M844-L846 HydrophobicContact CG-CD1 4.42Å; M844-L846 PolarHBondContact O-N 2.94Å; M844-L846 HydrophobicContact SD-CD1 3.97Å
847	P	90.8	Very high	88.9	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-56	156.5	169.4	-21.9	31.6	0	0	0	112.2	L495 Q503 E507 Y849	L495-P847 HydrophobicContact CD2-CB 4.22Å; L495-P847 HydrophobicContact CD2-CG 3.8Å; Q503-P847 HydrophobicContact CG-CG 4.48Å; Q503-P847 VanDerWaalsContact NE2-CA 3.31Å; Q503-P847 VanDerWaalsContact NE2-N 3.15Å; E507-P847 WeakPolarHBondContact O-CD 3.47Å; P847-Y849 HydrophobicContact CB-CE1 4.27Å; P847-Y849 HydrophobicContact CB-CE2 4.02Å; P847-Y849 WeakPolarHBondContact CD-OH 3.37Å; P847-Y849 WeakPolarHBondContact CG-OH 3.3Å; P847-Y849 WeakPolarHBondContact O-CD2 3.32Å; P847-Y849 WeakPolarHBondContact O-CE2 3.37Å
848	W	91.5	Very high	88.2	Confident	2 Å²	2	20.6 Å²	20.6	1%	0.008	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-85.3	138	168.5	-64.8	-42.4	0	0	0	110	V536 F539 E540 L543 R562 I565 M838 S842	V536-W848 HydrophobicContact CG1-CB 4.08Å; F539-W848 AromaticContact CD1-CZ3 3.92Å; F539-W848 HydrophobicContact CD1-CZ3 3.92Å; F539-W848 HydrophobicContact CE1-CH2 4.34Å; F539-W848 AromaticContact CE1-CZ3 3.82Å; F539-W848 HydrophobicContact CE1-CZ3 3.82Å; E540-W848 HydrophobicContact CG-CE3 4.48Å; E540-W848 WeakPolarHBondContact OE2-CZ3 3.12Å; L543-W848 HydrophobicContact CD2-CH2 4.42Å; R562-W848 HydrophobicContact CG-CH2 4.01Å; R562-W848 HydrophobicContact CG-CZ2 3.82Å; R562-W848 WeakPolarHBondContact O-CZ2 3.43Å; I565-W848 HydrophobicContact CB-CH2 4.32Å; I565-W848 HydrophobicContact CG2-CH2 3.79Å; I565-W848 HydrophobicContact CG2-CZ2 4.35Å; M838-W848 HydrophobicContact CE-CB 3.81Å; M838-W848 HydrophobicContact CE-CD2 3.8Å; M838-W848 HydrophobicContact CE-CG 3.34Å; M838-W848 HydrophobicContact SD-CB 3.52Å; M838-W848 VanDerWaalsContact SD-CB 3.52Å; M838-W848 HydrophobicContact SD-CG 3.6Å; M838-W848 VanDerWaalsContact SD-CG 3.6Å; S842-W848 PolarHBondContact OG-NE1 3.38Å
849	Y	91.5	Very high	87.8	Confident	7 Å²	7	20.5 Å²	20.5	3%	0.027	11%	0.111	C	C	.	.			trans	-121.2	136.5	-172.2	-63.8	-77.9	0	0	0	111.1	E507 S508 G511 T512 S515 P847	E507-Y849 PolarHBondContact O-OH 3.09Å; S508-Y849 WeakPolarHBondContact CA-OH 3.17Å; S508-Y849 PolarHBondContact O-OH 3.23Å; G511-Y849 VanDerWaalsContact CA-CE2 3.44Å; G511-Y849 WeakPolarHBondContact CA-OH 3.46Å; T512-Y849 VanDerWaalsContact N-CZ 3.26Å; T512-Y849 PolarHBondContact N-OH 3.28Å; T512-Y849 WeakPolarHBondContact OG1-CE1 3.48Å; S515-Y849 WeakPolarHBondContact OG-CD2 3.41Å; P847-Y849 HydrophobicContact CB-CE1 4.27Å; P847-Y849 HydrophobicContact CB-CE2 4.02Å; P847-Y849 WeakPolarHBondContact CD-OH 3.37Å; P847-Y849 WeakPolarHBondContact CG-OH 3.3Å; P847-Y849 WeakPolarHBondContact O-CD2 3.32Å; P847-Y849 WeakPolarHBondContact O-CE2 3.37Å
850	V	90.3	Very high	87.4	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	162.3	179.9	-165.2	0	0	0	0	108.4	L530 S531 T533 V536 I803 D806 Q807 A852	L530-V850 WeakPolarHBondContact CA-O 3.42Å; S531-V850 PolarHBondContact N-O 3.33Å; S531-V850 PolarHBondContact O-N 2.99Å; T533-V850 HydrophobicContact CG2-CB 4.31Å; V536-V850 HydrophobicContact CG2-CG2 4.14Å; I803-V850 HydrophobicContact CB-CG2 4.47Å; I803-V850 HydrophobicContact CG1-CG2 3.95Å; I803-V850 HydrophobicContact CG2-CG1 4.46Å; I803-V850 HydrophobicContact CG2-CG2 4.23Å; D806-V850 HydrophobicContact CB-CB 4.47Å; D806-V850 HydrophobicContact CB-CG1 3.62Å; Q807-V850 HydrophobicContact CB-CG1 4.05Å; V850-A852 PolarHBondContact O-N 3.25Å
851	A	89.4	Confident	86.7	Confident	2 Å²	2	18.8 Å²	18.8	2%	0.017	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	129.5	173.9	0	0	0	0	0	112.4	T528 L530 Q807 T810	T528-A851 HydrophobicContact CG2-CB 3.32Å; L530-A851 HydrophobicContact CD2-CB 4.38Å; Q807-A851 VanDerWaalsContact OE1-N 3.08Å; T810-A851 HydrophobicContact CG2-CB 3.61Å; T810-A851 PolarHBondContact OG1-O 2.92Å
852	A	86.1	Confident	86	Confident	10 Å²	10	19.6 Å²	19.6	8%	0.083	11%	0.109	C	C	.	.			trans	-98.5	110.7	177.3	0	0	0	0	0	110.5	I529 S531 V850 I855 S856	I529-A852 PolarHBondContact O-N 3.32Å; S531-A852 VanDerWaalsContact OG-CB 3.27Å; S531-A852 WeakPolarHBondContact OG-CB 3.14Å; V850-A852 PolarHBondContact O-N 3.25Å; A852-I855 HydrophobicContact CB-CB 4.32Å; A852-I855 HydrophobicContact CB-CD1 4.28Å; A852-I855 HydrophobicContact CB-CG1 4.38Å; A852-I855 PolarHBondContact O-N 3.49Å; A852-S856 VanDerWaalsContact O-CB 3.3Å; A852-S856 WeakPolarHBondContact O-CB 3.07Å; A852-S856 PolarHBondContact O-N 3.42Å; A852-S856 PolarHBondContact O-OG 2.83Å
853	T	82.1	Confident	85.6	Confident	24 Å²	24	19.6 Å²	19.6	15%	0.147	11%	0.109	C	C	.	.	H	α-helix	trans	-51.6	-59.7	-177.5	51.6	0	0	0	0	112.9	T810 I813 I855 S856 I857	T810-T853 HydrophobicContact CG2-CG2 4.06Å; T810-T853 WeakPolarHBondContact OG1-CG2 3.49Å; I813-T853 HydrophobicContact CD1-CG2 3.85Å; T853-I855 VanDerWaalsContact C-N 3.35Å; T853-I855 PolarHBondContact O-N 3.33Å; T853-S856 PolarHBondContact O-N 3.05Å; T853-I857 WeakPolarHBondContact O-CG1 3.5Å; T853-I857 PolarHBondContact O-N 3.22Å
854	V	78.9	Confident	85.1	Confident	44 Å²	44	19.8 Å²	19.8	27%	0.267	11%	0.11	S	C	.	.	H	α-helix	trans	-60.8	-41.2	-173.4	-176.6	0	0	0	0	112.3	A858	V854-A858 WeakPolarHBondContact O-CB 3.24Å; V854-A858 PolarHBondContact O-N 2.88Å; V854-A858 VanDerWaalsContact O-N 3.08Å
855	I	83.2	Confident	84.4	Confident	18 Å²	18	20 Å²	20	9%	0.092	11%	0.111	C	C	.	.	H	α-helix	trans	-72.4	-37.4	180	-54.8	177.8	0	0	0	110.6	I480 N487 I529 A852 T853 A858 H859	I480-I855 HydrophobicContact CG2-CG2 4.15Å; N487-I855 HydrophobicContact CB-CD1 3.89Å; I529-I855 HydrophobicContact CB-CG2 4.06Å; I529-I855 HydrophobicContact CG1-CG2 4.26Å; I529-I855 HydrophobicContact CG2-CG2 3.83Å; A852-I855 HydrophobicContact CB-CB 4.32Å; A852-I855 HydrophobicContact CB-CD1 4.28Å; A852-I855 HydrophobicContact CB-CG1 4.38Å; A852-I855 PolarHBondContact O-N 3.49Å; T853-I855 VanDerWaalsContact C-N 3.35Å; T853-I855 PolarHBondContact O-N 3.33Å; I855-A858 PolarHBondContact O-N 3.45Å; I855-H859 WeakPolarHBondContact O-CB 3.02Å; I855-H859 PolarHBondContact O-N 2.92Å
856	S	86.9	Confident	83.7	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.4	-41.6	177.4	-55.2	0	0	0	0	112	I529 A852 T853 H859 I860	I529-S856 PolarHBondContact N-OG 2.99Å; A852-S856 VanDerWaalsContact O-CB 3.3Å; A852-S856 WeakPolarHBondContact O-CB 3.07Å; A852-S856 PolarHBondContact O-N 3.42Å; A852-S856 PolarHBondContact O-OG 2.83Å; T853-S856 PolarHBondContact O-N 3.05Å; S856-H859 WeakPolarHBondContact O-CB 3.48Å; S856-H859 PolarHBondContact O-N 3.07Å; S856-I860 WeakPolarHBondContact O-CG1 3.45Å; S856-I860 PolarHBondContact O-N 3.33Å
857	I	82.1	Confident	82.5	Confident	54 Å²	54	25.3 Å²	25.3	28%	0.277	14%	0.137	S	C	.	.	H	α-helix	trans	-61.1	-47	172.7	-62	162.1	0	0	0	110.3	I813 T853 H859 I860 D861	I813-I857 HydrophobicContact CG2-CD1 3.81Å; I813-I857 HydrophobicContact CG2-CG1 3.79Å; T853-I857 WeakPolarHBondContact O-CG1 3.5Å; T853-I857 PolarHBondContact O-N 3.22Å; I857-H859 PolarHBondContact O-N 3.46Å; I857-I860 WeakPolarHBondContact O-CB 3.48Å; I857-I860 PolarHBondContact O-N 2.92Å; I857-I860 VanDerWaalsContact O-N 3.14Å; I857-D861 PolarHBondContact O-N 3.42Å
858	A	77.8	Confident	80.7	Confident	26 Å²	26	34 Å²	34	22%	0.215	18%	0.178	C	C	.	.	H	α-helix	trans	-60.5	-33.9	177.8	0	0	0	0	0	112.8	F479 I480 V854 I855 S862	F479-A858 HydrophobicContact CE1-CB 4.09Å; F479-A858 HydrophobicContact CZ-CB 4.4Å; I480-A858 HydrophobicContact CD1-CB 4.18Å; V854-A858 WeakPolarHBondContact O-CB 3.24Å; V854-A858 PolarHBondContact O-N 2.88Å; V854-A858 VanDerWaalsContact O-N 3.08Å; I855-A858 PolarHBondContact O-N 3.45Å; A858-S862 WeakPolarHBondContact O-CB 3.32Å; A858-S862 PolarHBondContact O-N 3.45Å
859	H	85.4	Confident	78.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-46.9	173.8	-175.4	-153.1	0	0	0	111.3	I480 L527 I529 I855 S856 I857 D861 S862 L863 T887	I480-H859 HydrophobicContact CD1-CB 3.91Å; I480-H859 HydrophobicContact CG1-CB 3.99Å; L527-H859 PolarHBondContact O-ND1 2.93Å; I529-H859 HydrophobicContact CG1-CB 4.38Å; I855-H859 WeakPolarHBondContact O-CB 3.02Å; I855-H859 PolarHBondContact O-N 2.92Å; S856-H859 WeakPolarHBondContact O-CB 3.48Å; S856-H859 PolarHBondContact O-N 3.07Å; I857-H859 PolarHBondContact O-N 3.46Å; H859-D861 PolarHBondContact O-N 3.2Å; H859-S862 PolarHBondContact O-N 3.04Å; H859-S862 PolarHBondContact O-OG 3.01Å; H859-L863 WeakPolarHBondContact O-CG 3.38Å; H859-L863 PolarHBondContact O-N 2.9Å; H859-T887 PolarHBondContact CE1-OG1 3.27Å; H859-T887 PolarHBondContact NE2-OG1 3.23Å
860	I	85.3	Confident	76.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.3	-48.2	175.1	-64.6	165.6	0	0	0	111.1	L527 V814 H819 S856 I857 S862 L863 K864 V881	L527-I860 HydrophobicContact CB-CG1 4.34Å; L527-I860 HydrophobicContact CD1-CG1 4.23Å; V814-I860 HydrophobicContact CB-CD1 4.05Å; V814-I860 HydrophobicContact CG1-CD1 3.86Å; V814-I860 HydrophobicContact CG2-CD1 3.96Å; H819-I860 HydrophobicContact CB-CG2 4.46Å; S856-I860 WeakPolarHBondContact O-CG1 3.45Å; S856-I860 PolarHBondContact O-N 3.33Å; I857-I860 WeakPolarHBondContact O-CB 3.48Å; I857-I860 PolarHBondContact O-N 2.92Å; I857-I860 VanDerWaalsContact O-N 3.14Å; I860-S862 VanDerWaalsContact C-N 3.3Å; I860-S862 PolarHBondContact O-N 3.13Å; I860-L863 CarbonylContact O-C 3.44Å; I860-L863 WeakPolarHBondContact O-CA 3.3Å; I860-L863 PolarHBondContact O-N 3.28Å; I860-K864 PolarHBondContact O-N 3.39Å; I860-V881 HydrophobicContact CG2-CG1 4.15Å; I860-V881 HydrophobicContact CG2-CG2 3.73Å
861	D	77.7	Confident	73.9	Confident	83 Å²	83	44.3 Å²	44.3	44%	0.444	25%	0.25	S	C	.	.	H	α-helix	trans	-63.7	-33.1	179.8	-89.3	-26.6	0	0	0	112.9	I857 H859 L863 K864	I857-D861 PolarHBondContact O-N 3.42Å; H859-D861 PolarHBondContact O-N 3.2Å; D861-L863 PolarHBondContact O-N 3.49Å; D861-K864 WeakPolarHBondContact O-CB 3.39Å; D861-K864 PolarHBondContact O-N 2.79Å
862	S	77.4	Confident	71.3	Confident	19 Å²	19	50 Å²	50	13%	0.133	29%	0.286	C	S	.	.	H	α-helix	trans	-67.2	-25.9	173.7	77.7	0	0	0	0	112.9	Q472 A476 A858 H859 I860	Q472-S862 PolarHBondContact NE2-O 2.69Å; A476-S862 VanDerWaalsContact CB-OG 3.3Å; A476-S862 WeakPolarHBondContact CB-OG 3.27Å; A858-S862 WeakPolarHBondContact O-CB 3.32Å; A858-S862 PolarHBondContact O-N 3.45Å; H859-S862 PolarHBondContact O-N 3.04Å; H859-S862 PolarHBondContact O-OG 3.01Å; I860-S862 VanDerWaalsContact C-N 3.3Å; I860-S862 PolarHBondContact O-N 3.13Å
863	L	83.4	Confident	69.1	Low	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	5.7	-179.5	-60.8	-178.2	0	0	0	113.7	A476 L527 H859 I860 D861 V881 R882 Q884	A476-L863 HydrophobicContact CB-CD2 3.51Å; A476-L863 HydrophobicContact CB-CG 4.27Å; L527-L863 HydrophobicContact CD2-CD1 3.75Å; H859-L863 WeakPolarHBondContact O-CG 3.38Å; H859-L863 PolarHBondContact O-N 2.9Å; I860-L863 CarbonylContact O-C 3.44Å; I860-L863 WeakPolarHBondContact O-CA 3.3Å; I860-L863 PolarHBondContact O-N 3.28Å; D861-L863 PolarHBondContact O-N 3.49Å; L863-V881 HydrophobicContact CB-CG1 3.81Å; L863-R882 HydrophobicContact CB-CB 4.46Å; L863-R882 PolarHBondContact O-N 3.35Å; L863-Q884 HydrophobicContact CD1-CG 4.21Å
864	K	82.3	Confident	67.3	Low	69 Å²	69	54.4 Å²	54.4	30%	0.3	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	131.1	174.1	-159	179.9	-172	165.4	0	111	Q472 I860 D861 F878	Q472-K864 PolarHBondContact NE2-O 3.49Å; I860-K864 PolarHBondContact O-N 3.39Å; D861-K864 WeakPolarHBondContact O-CB 3.39Å; D861-K864 PolarHBondContact O-N 2.79Å; K864-F878 HydrophobicContact CB-CE2 4.43Å; K864-F878 HydrophobicContact CD-CD2 4.03Å; K864-F878 HydrophobicContact CD-CE2 4.14Å; K864-F878 HydrophobicContact CG-CD2 3.47Å; K864-F878 VanDerWaalsContact CG-CD2 3.47Å; K864-F878 HydrophobicContact CG-CE2 3.28Å; K864-F878 HydrophobicContact CG-CZ 4.33Å
865	M	72.9	Confident	65.7	Low	59 Å²	59	58 Å²	58	29%	0.291	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.2	173.2	-62.8	-154	-92.8	0	0	111.4	F878 L879 G880 R882	M865-F878 WeakPolarHBondContact O-CD2 3.48Å; M865-L879 HydrophobicContact CB-CB 4.3Å; M865-L879 PolarHBondContact O-N 3.2Å; M865-G880 WeakPolarHBondContact CB-O 3.3Å; M865-G880 PolarHBondContact N-O 2.79Å; M865-R882 HydrophobicContact CE-CG 3.58Å; M865-R882 HydrophobicContact CG-CG 3.96Å; M865-R882 HydrophobicContact SD-CG 3.72Å; M865-R882 PolarHBondContact SD-NE 3.23Å
866	E	72.9	Confident	64.5	Low	77 Å²	77	59.9 Å²	59.9	36%	0.36	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.5	178.9	-79.4	167.8	-167.9	0	0	108.8	Q868 P876	E866-Q868 PolarHBondContact O-N 3.2Å; E866-P876 HydrophobicContact CB-CB 3.95Å; E866-P876 HydrophobicContact CG-CB 4.25Å; E866-P876 HydrophobicContact CG-CG 4.46Å
867	T	64.1	Low	63.4	Low	35 Å²	35	64 Å²	64	22%	0.215	36%	0.364	C	S	.	.			trans	-61.6	126	179.5	46.4	0	0	0	0	112.3	S870 P876 K877 L879	T867-S870 PolarHBondContact OG1-OG 2.88Å; T867-P876 WeakPolarHBondContact OG1-CA 3.39Å; T867-K877 HydrophobicContact CG2-CB 3.85Å; T867-K877 PolarHBondContact N-O 2.67Å; T867-K877 VanDerWaalsContact N-O 3.09Å; T867-K877 PolarHBondContact OG1-N 3.27Å; T867-L879 HydrophobicContact CG2-CD1 3.89Å; T867-L879 HydrophobicContact CG2-CD2 3.98Å; T867-L879 HydrophobicContact CG2-CG 3.92Å
868	Q	53.6	Low	63.1	Low	183 Å²	183	63.4 Å²	63.4	86%	0.855	36%	0.359	S	S	*	.	S	Bend	trans	-76.8	-21.9	178.1	-64.4	-174	3.4	0	0	113.6	E866	E866-Q868 PolarHBondContact O-N 3.2Å
869	T	45.4	Very low	62.8	Low	135 Å²	135	67.3 Å²	67.3	83%	0.828	38%	0.376	S	S	*	.			trans	-117.4	58.8	-176.2	56.4	0	0	0	0	111.7
870	S	44.2	Very low	62.6	Low	37 Å²	37	67.4 Å²	67.4	26%	0.259	38%	0.377	S	S	.	.			trans	-79.3	140.6	164.2	-65.4	0	0	0	0	109.8	T867 E874	T867-S870 PolarHBondContact OG1-OG 2.88Å; S870-E874 WeakPolarHBondContact CB-O 3.15Å
871	A	40.2	Very low	62.6	Low	56 Å²	56	68 Å²	68	46%	0.463	38%	0.38	S	S	.	.			trans	-65.4	154.7	174.5	0	0	0	0	0	110.9	G873 E874	A871-G873 PolarHBondContact O-N 2.96Å; A871-E874 PolarHBondContact O-N 3.22Å
872	P	34.5	Very low	63	Low	120 Å²	120	66.7 Å²	66.7	78%	0.779	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	83.5	-178	-25.3	36.3	0	0	0	115.1	K145	K145-P872 WeakPolarHBondContact CE-O 3.45Å; K145-P872 PolarHBondContact NZ-O 3.3Å
873	G	41.6	Very low	63.5	Low	56 Å²	56	66.5 Å²	66.5	58%	0.577	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	145.8	-23.8	-175.7	0	0	0	0	0	113.2	A871	A871-G873 PolarHBondContact O-N 2.96Å
874	E	42.9	Very low	63.8	Low	71 Å²	71	66.5 Å²	66.5	33%	0.332	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-82.4	129.9	-179.6	-168.5	-176.2	-177.1	0	0	110.9	S870 A871 K877	S870-E874 WeakPolarHBondContact CB-O 3.15Å; A871-E874 PolarHBondContact O-N 3.22Å; E874-K877 WeakPolarHBondContact OE1-CE 3.47Å; E874-K877 IonicContact OE1-NZ 2.69Å; E874-K877 PolarHBondContact OE1-NZ 2.94Å
875	Q	46.8	Very low	64.2	Low	121 Å²	121	63.4 Å²	63.4	57%	0.565	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-65.2	145	173.2	-69.6	-71	1.4	0	0	110.2	K877	Q875-K877 PolarHBondContact O-N 3.4Å
876	P	57.9	Low	65.1	Low	56 Å²	56	61.8 Å²	61.8	36%	0.364	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-63.6	125	-178.7	25.2	-32.7	0	0	0	111.3	E866 T867	E866-P876 HydrophobicContact CB-CB 3.95Å; E866-P876 HydrophobicContact CG-CB 4.25Å; E866-P876 HydrophobicContact CG-CG 4.46Å; T867-P876 WeakPolarHBondContact OG1-CA 3.39Å
877	K	62.1	Low	65.9	Low	87 Å²	87	58.1 Å²	58.1	38%	0.378	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-73.7	135.7	177.7	-81	168.4	171.3	150	0	109.9	K395 T867 E874 Q875 L879	K395-K877 WeakPolarHBondContact O-CE 3.48Å; K395-K877 PolarHBondContact O-NZ 2.78Å; T867-K877 HydrophobicContact CG2-CB 3.85Å; T867-K877 PolarHBondContact N-O 2.67Å; T867-K877 VanDerWaalsContact N-O 3.09Å; T867-K877 PolarHBondContact OG1-N 3.27Å; E874-K877 WeakPolarHBondContact OE1-CE 3.47Å; E874-K877 IonicContact OE1-NZ 2.69Å; E874-K877 PolarHBondContact OE1-NZ 2.94Å; Q875-K877 PolarHBondContact O-N 3.4Å; K877-L879 PolarHBondContact O-N 2.91Å
878	F	75.7	Confident	67.1	Low	42 Å²	42	56.4 Å²	56.4	18%	0.184	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	113.3	178.6	173.4	-120	0	0	0	111.3	E818 H819 K820 K864 M865 G880 V881	E818-F878 VanDerWaalsContact O-CE1 3.24Å; E818-F878 WeakPolarHBondContact O-CE1 3.44Å; H819-F878 WeakPolarHBondContact O-CZ 3.42Å; K820-F878 HydrophobicContact CB-CE1 4.26Å; K820-F878 HydrophobicContact CD-CD1 4.11Å; K820-F878 HydrophobicContact CD-CE1 4.01Å; K820-F878 HydrophobicContact CG-CE1 4Å; K820-F878 PolarHBondContact NZ-O 2.83Å; K864-F878 HydrophobicContact CB-CE2 4.43Å; K864-F878 HydrophobicContact CD-CD2 4.03Å; K864-F878 HydrophobicContact CD-CE2 4.14Å; K864-F878 HydrophobicContact CG-CD2 3.47Å; K864-F878 VanDerWaalsContact CG-CD2 3.47Å; K864-F878 HydrophobicContact CG-CE2 3.28Å; K864-F878 HydrophobicContact CG-CZ 4.33Å; M865-F878 WeakPolarHBondContact O-CD2 3.48Å; F878-G880 VanDerWaalsContact CE2-C 3.4Å; F878-G880 WeakPolarHBondContact CE2-O 3.19Å; F878-G880 VanDerWaalsContact CZ-CA 3.41Å; F878-V881 HydrophobicContact CE2-CG2 4.29Å; F878-V881 HydrophobicContact CZ-CG2 4Å
879	L	71.4	Confident	69	Low	107 Å²	107	49.4 Å²	49.4	56%	0.56	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	-22.8	-174.3	-67	171	0	0	0	113.8	M865 T867 K877	M865-L879 HydrophobicContact CB-CB 4.3Å; M865-L879 PolarHBondContact O-N 3.2Å; T867-L879 HydrophobicContact CG2-CD1 3.89Å; T867-L879 HydrophobicContact CG2-CD2 3.98Å; T867-L879 HydrophobicContact CG2-CG 3.92Å; K877-L879 PolarHBondContact O-N 2.91Å
880	G	81.4	Confident	71.1	Confident	3 Å²	3	47.7 Å²	47.7	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	135.1	-179.1	-174.3	0	0	0	0	0	112.7	M865 F878	M865-G880 WeakPolarHBondContact CB-O 3.3Å; M865-G880 PolarHBondContact N-O 2.79Å; F878-G880 VanDerWaalsContact CE2-C 3.4Å; F878-G880 WeakPolarHBondContact CE2-O 3.19Å; F878-G880 VanDerWaalsContact CZ-CA 3.41Å
881	V	86.9	Confident	73.4	Confident	11 Å²	11	45.9 Å²	45.9	7%	0.067	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	148.5	180	-179.3	0	0	0	0	110.1	L527 H819 L821 I860 L863 F878 E883	L527-V881 HydrophobicContact CD1-CG1 4.21Å; H819-V881 HydrophobicContact CB-CG2 4.23Å; L821-V881 HydrophobicContact CD2-CB 4.07Å; I860-V881 HydrophobicContact CG2-CG1 4.15Å; I860-V881 HydrophobicContact CG2-CG2 3.73Å; L863-V881 HydrophobicContact CB-CG1 3.81Å; F878-V881 HydrophobicContact CE2-CG2 4.29Å; F878-V881 HydrophobicContact CZ-CG2 4Å; V881-E883 PolarHBondContact O-N 2.73Å
882	R	86	Confident	75.9	Confident	57 Å²	57	43.2 Å²	43.2	22%	0.215	23%	0.233	C	C	.	.			trans	-78.9	113.3	169.2	-68.2	-176.9	-176.7	-120.7	0.1	110.7	H470 L863 M865	H470-R882 VanDerWaalsContact CB-NH1 3.25Å; H470-R882 PolarHBondContact CE1-NH2 3.01Å; H470-R882 VanDerWaalsContact CE1-NH2 3.31Å; H470-R882 PolarHBondContact ND1-NH2 3.4Å; H470-R882 PolarHBondContact NE2-NH2 2.96Å; L863-R882 HydrophobicContact CB-CB 4.46Å; L863-R882 PolarHBondContact O-N 3.35Å; M865-R882 HydrophobicContact CE-CG 3.58Å; M865-R882 HydrophobicContact CG-CG 3.96Å; M865-R882 HydrophobicContact SD-CG 3.72Å; M865-R882 PolarHBondContact SD-NE 3.23Å
883	E	88.1	Confident	78.6	Confident	14 Å²	14	42.2 Å²	42.2	7%	0.065	22%	0.221	C	C	.	.			trans	-89.8	112.9	176.3	-65.1	163.5	138.8	0	0	110	L527 L821 K822 K823 V881	L527-E883 HydrophobicContact CD1-CG 4.45Å; L821-E883 WeakPolarHBondContact CA-OE1 3.48Å; L821-E883 VanDerWaalsContact CB-OE1 3.28Å; L821-E883 WeakPolarHBondContact CB-OE1 3.38Å; L821-E883 HydrophobicContact CD2-CG 3.76Å; L821-E883 WeakPolarHBondContact CD2-OE1 3.4Å; K822-E883 WeakPolarHBondContact CB-OE2 3.46Å; K822-E883 PolarHBondContact N-OE1 3.2Å; K822-E883 PolarHBondContact N-OE2 3.19Å; K823-E883 WeakPolarHBondContact CB-OE2 3.37Å; K823-E883 HydrophobicContact CD-CB 3.78Å; K823-E883 WeakPolarHBondContact CD-OE2 3.31Å; K823-E883 VanDerWaalsContact CG-OE2 3.23Å; K823-E883 WeakPolarHBondContact CG-OE2 3.4Å; K823-E883 PolarHBondContact N-OE1 2.97Å; K823-E883 PolarHBondContact N-OE2 3.27Å; K823-E883 PolarHBondContact NZ-O 3.4Å; V881-E883 PolarHBondContact O-N 2.73Å
884	Q	89.3	Confident	80.8	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.			trans	-151	152.4	-172.8	64.1	-165.5	-4.3	0	0	110.9	A468 L863 T887	A468-Q884 VanDerWaalsContact CA-OE1 3.3Å; A468-Q884 HydrophobicContact CB-CB 4.23Å; L863-Q884 HydrophobicContact CD1-CG 4.21Å; Q884-T887 HydrophobicContact CG-CG2 4.21Å
885	R	90.4	Very high	82.9	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.015	19%	0.19	C	C	.	.	S	Bend	trans	-94.6	-31.1	178.7	-72.5	174	-171.3	-82.5	-17.8	113.6	D464 F465 L521 A523 P526 T887 G888 I889	D464-R885 HydrophobicContact CB-CB 4.32Å; D464-R885 HydrophobicContact CB-CG 3.88Å; D464-R885 PolarHBondContact O-N 2.88Å; D464-R885 IonicContact OD2-CZ 2.73Å; D464-R885 IonicContact OD2-NE 3.44Å; D464-R885 PolarHBondContact OD2-NE 3.23Å; D464-R885 IonicContact OD2-NH2 3.59Å; D464-R885 PolarHBondContact OD2-NH2 2.79Å; F465-R885 HydrophobicContact CZ-CB 4.46Å; L521-R885 PolarHBondContact O-NH1 2.89Å; A523-R885 PolarHBondContact O-NH1 3.15Å; A523-R885 PolarHBondContact O-NH2 3.4Å; A523-R885 VanDerWaalsContact O-NH2 3.09Å; P526-R885 HydrophobicContact CB-CB 4.42Å; P526-R885 HydrophobicContact CB-CG 3.66Å; P526-R885 HydrophobicContact CG-CG 3.68Å; R885-T887 VanDerWaalsContact C-N 3.32Å; R885-T887 PolarHBondContact O-N 2.84Å; R885-G888 PolarHBondContact O-N 3.01Å; R885-I889 HydrophobicContact CB-CD1 4.28Å; R885-I889 WeakPolarHBondContact O-CG1 3.42Å; R885-I889 PolarHBondContact O-N 3.26Å
886	V	90.8	Very high	84.8	Confident	25 Å²	25	34 Å²	34	15%	0.152	18%	0.175	C	C	.	.	H	α-helix	trans	-57.9	-40.6	-169.3	177.8	0	0	0	0	112.4	F465 A468 I889 F890	F465-V886 HydrophobicContact CB-CG2 4.47Å; F465-V886 HydrophobicContact CD1-CG2 3.51Å; F465-V886 HydrophobicContact CE1-CG2 4.05Å; F465-V886 HydrophobicContact CG-CG2 4.24Å; A468-V886 HydrophobicContact CB-CB 3.56Å; A468-V886 HydrophobicContact CB-CG1 4.12Å; A468-V886 HydrophobicContact CB-CG2 3.5Å; V886-I889 PolarHBondContact O-N 2.95Å; V886-F890 HydrophobicContact CG1-CD2 3.53Å; V886-F890 HydrophobicContact CG1-CE2 3.7Å; V886-F890 WeakPolarHBondContact O-CD2 3.35Å; V886-F890 PolarHBondContact O-N 2.73Å
887	T	90.6	Very high	86.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.3	-44.5	-176.1	51.5	0	0	0	0	112.7	I477 H859 Q884 R885 F890 V891	I477-T887 HydrophobicContact CD1-CG2 4.09Å; I477-T887 HydrophobicContact CG1-CG2 3.73Å; H859-T887 PolarHBondContact CE1-OG1 3.27Å; H859-T887 PolarHBondContact NE2-OG1 3.23Å; Q884-T887 HydrophobicContact CG-CG2 4.21Å; R885-T887 VanDerWaalsContact C-N 3.32Å; R885-T887 PolarHBondContact O-N 2.84Å; T887-F890 PolarHBondContact O-N 2.86Å; T887-V891 WeakPolarHBondContact O-CB 3.28Å; T887-V891 WeakPolarHBondContact O-CG2 3.36Å; T887-V891 PolarHBondContact O-N 3.15Å
888	G	90	Very high	87	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-45.9	174.1	0	0	0	0	0	112.3	R885 F890 V891 F892	R885-G888 PolarHBondContact O-N 3.01Å; G888-F890 PolarHBondContact O-N 3.23Å; G888-V891 WeakPolarHBondContact O-CB 3.47Å; G888-V891 PolarHBondContact O-N 3.48Å; G888-F892 WeakPolarHBondContact O-CD2 3.17Å; G888-F892 PolarHBondContact O-N 2.77Å; G888-F892 VanDerWaalsContact O-N 3.07Å
889	I	91.8	Very high	87.1	Confident	36 Å²	36	30.6 Å²	30.6	19%	0.185	16%	0.161	C	C	.	.	H	α-helix	trans	-59.6	-48.2	178.9	-64.3	169.1	0	0	0	111.3	F465 C520 L521 R885 V886 F892 L893	F465-I889 HydrophobicContact CE1-CD1 4.41Å; F465-I889 HydrophobicContact CZ-CD1 4.42Å; C520-I889 HydrophobicContact CB-CG1 4.19Å; L521-I889 HydrophobicContact CB-CD1 4.16Å; L521-I889 HydrophobicContact CB-CG1 4.5Å; L521-I889 HydrophobicContact CD1-CD1 4.47Å; L521-I889 HydrophobicContact CG-CD1 4.2Å; R885-I889 HydrophobicContact CB-CD1 4.28Å; R885-I889 WeakPolarHBondContact O-CG1 3.42Å; R885-I889 PolarHBondContact O-N 3.26Å; V886-I889 PolarHBondContact O-N 2.95Å; I889-F892 PolarHBondContact O-N 2.98Å; I889-L893 WeakPolarHBondContact O-CB 3.41Å; I889-L893 PolarHBondContact O-N 2.71Å
890	F	91.4	Very high	87.3	Confident	98 Å²	98	33.6 Å²	33.6	43%	0.43	17%	0.169	S	C	.	.	H	α-helix	trans	-66.7	-36.7	178.2	-88.6	-83.3	0	0	0	112.9	I477 V886 T887 G888 F892 L893 L894	I477-F890 HydrophobicContact CD1-CB 3.94Å; I477-F890 HydrophobicContact CD1-CG 4.35Å; I477-F890 HydrophobicContact CG1-CB 4.14Å; I477-F890 HydrophobicContact CG2-CB 4.05Å; V886-F890 HydrophobicContact CG1-CD2 3.53Å; V886-F890 HydrophobicContact CG1-CE2 3.7Å; V886-F890 WeakPolarHBondContact O-CD2 3.35Å; V886-F890 PolarHBondContact O-N 2.73Å; T887-F890 PolarHBondContact O-N 2.86Å; G888-F890 PolarHBondContact O-N 3.23Å; F890-F892 PolarHBondContact O-N 2.87Å; F890-L893 PolarHBondContact O-N 3.02Å; F890-L894 VanDerWaalsContact O-CB 3.28Å; F890-L894 WeakPolarHBondContact O-CB 3.17Å; F890-L894 WeakPolarHBondContact O-CG 3.12Å; F890-L894 PolarHBondContact O-N 3.38Å
891	V	91.5	Very high	86.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.6	-48.4	173.5	157.7	0	0	0	0	111.4	I477 I480 T887 G888 T895	I477-V891 WeakPolarHBondContact O-CG2 3.35Å; I480-V891 HydrophobicContact CB-CG2 3.96Å; I480-V891 HydrophobicContact CG2-CG1 4.15Å; I480-V891 HydrophobicContact CG2-CG2 4.06Å; T887-V891 WeakPolarHBondContact O-CB 3.28Å; T887-V891 WeakPolarHBondContact O-CG2 3.36Å; T887-V891 PolarHBondContact O-N 3.15Å; G888-V891 WeakPolarHBondContact O-CB 3.47Å; G888-V891 PolarHBondContact O-N 3.48Å; V891-T895 WeakPolarHBondContact O-CB 3.41Å; V891-T895 PolarHBondContact O-N 2.88Å; V891-T895 PolarHBondContact O-OG1 2.71Å
892	F	92.4	Very high	86	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-75.4	-34.9	-178.3	-71	-62.7	0	0	0	113	T484 T512 A513 G516 A517 I529 L530 G888 I889 F890 T895 G896	T484-F892 HydrophobicContact CG2-CD1 4.34Å; T484-F892 HydrophobicContact CG2-CE1 3.96Å; T512-F892 HydrophobicContact CG2-CD1 4.02Å; T512-F892 HydrophobicContact CG2-CE1 3.69Å; T512-F892 WeakPolarHBondContact O-CD1 3.35Å; T512-F892 WeakPolarHBondContact O-CE1 3.22Å; A513-F892 WeakPolarHBondContact CB-O 3.34Å; G516-F892 VanDerWaalsContact CA-CZ 3.48Å; G516-F892 VanDerWaalsContact O-CD2 3.32Å; G516-F892 WeakPolarHBondContact O-CD2 3.42Å; A517-F892 HydrophobicContact CB-CB 4.02Å; I529-F892 HydrophobicContact CB-CZ 4.45Å; I529-F892 HydrophobicContact CD1-CE2 4.12Å; I529-F892 HydrophobicContact CD1-CZ 4.47Å; I529-F892 HydrophobicContact CG2-CE1 4.29Å; I529-F892 HydrophobicContact CG2-CE2 4.29Å; I529-F892 HydrophobicContact CG2-CZ 3.57Å; L530-F892 WeakPolarHBondContact O-CE1 3.16Å; L530-F892 WeakPolarHBondContact O-CZ 3.49Å; G888-F892 WeakPolarHBondContact O-CD2 3.17Å; G888-F892 PolarHBondContact O-N 2.77Å; G888-F892 VanDerWaalsContact O-N 3.07Å; I889-F892 PolarHBondContact O-N 2.98Å; F890-F892 PolarHBondContact O-N 2.87Å; F892-T895 PolarHBondContact O-N 3.28Å; F892-G896 PolarHBondContact O-N 2.89Å
893	L	90.9	Very high	85.4	Confident	98 Å²	98	39.7 Å²	39.7	51%	0.513	21%	0.209	S	C	.	.	H	α-helix	trans	-60.9	-47.1	171.3	-173.5	71.6	0	0	0	111.5	I889 F890 T895 G896 L897	I889-L893 WeakPolarHBondContact O-CB 3.41Å; I889-L893 PolarHBondContact O-N 2.71Å; F890-L893 PolarHBondContact O-N 3.02Å; L893-T895 VanDerWaalsContact C-N 3.34Å; L893-T895 PolarHBondContact O-N 2.96Å; L893-G896 PolarHBondContact O-N 3.29Å; L893-L897 HydrophobicContact CG-CD1 4.35Å; L893-L897 WeakPolarHBondContact O-CG 3.48Å; L893-L897 PolarHBondContact O-N 3.48Å
894	L	88.5	Confident	84.8	Confident	51 Å²	51	44.1 Å²	44.1	27%	0.267	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-39.2	175.4	-72.2	169.8	0	0	0	111.6	I477 Y481 F890 G896 L897 S898	I477-L894 HydrophobicContact CG2-CD1 3.68Å; Y481-L894 HydrophobicContact CD2-CB 3.46Å; Y481-L894 VanDerWaalsContact CD2-CB 3.46Å; Y481-L894 VanDerWaalsContact CE2-C 3.43Å; Y481-L894 HydrophobicContact CE2-CB 3.57Å; Y481-L894 WeakPolarHBondContact CE2-O 3.29Å; Y481-L894 HydrophobicContact CG-CB 4.04Å; Y481-L894 HydrophobicContact CG-CD1 4.27Å; F890-L894 VanDerWaalsContact O-CB 3.28Å; F890-L894 WeakPolarHBondContact O-CB 3.17Å; F890-L894 WeakPolarHBondContact O-CG 3.12Å; F890-L894 PolarHBondContact O-N 3.38Å; L894-G896 VanDerWaalsContact C-N 3.31Å; L894-G896 PolarHBondContact O-N 2.61Å; L894-L897 HydrophobicContact CD2-CD1 4.45Å; L894-L897 CarbonylContact O-C 3.52Å; L894-L897 WeakPolarHBondContact O-CB 3.48Å; L894-L897 PolarHBondContact O-N 3.07Å; L894-L897 VanDerWaalsContact O-N 3.13Å; L894-S898 PolarHBondContact O-N 2.95Å; L894-S898 PolarHBondContact O-OG 3.21Å
895	T	87.9	Confident	83.9	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-38.1	175.5	-57.2	0	0	0	0	111.8	T484 V485 F509 T512 V891 F892 L893 S898	T484-T895 HydrophobicContact CG2-CG2 4.26Å; V485-T895 HydrophobicContact CG2-CG2 4.31Å; F509-T895 HydrophobicContact CD1-CG2 3.9Å; F509-T895 WeakPolarHBondContact CD1-O 3.49Å; F509-T895 HydrophobicContact CE1-CG2 4.24Å; T512-T895 HydrophobicContact CG2-CG2 4.38Å; V891-T895 WeakPolarHBondContact O-CB 3.41Å; V891-T895 PolarHBondContact O-N 2.88Å; V891-T895 PolarHBondContact O-OG1 2.71Å; F892-T895 PolarHBondContact O-N 3.28Å; L893-T895 VanDerWaalsContact C-N 3.34Å; L893-T895 PolarHBondContact O-N 2.96Å; T895-S898 WeakPolarHBondContact O-CB 3.32Å; T895-S898 PolarHBondContact O-N 3.48Å; T895-S898 PolarHBondContact O-OG 3.01Å
896	G	85.9	Confident	83.3	Confident	25 Å²	25	50.9 Å²	50.9	26%	0.258	26%	0.263	S	S	.	.	H	α-helix	trans	-65.7	-41	171.7	0	0	0	0	0	112.6	F892 L893 L894 S898 V899	F892-G896 PolarHBondContact O-N 2.89Å; L893-G896 PolarHBondContact O-N 3.29Å; L894-G896 VanDerWaalsContact C-N 3.31Å; L894-G896 PolarHBondContact O-N 2.61Å; G896-S898 VanDerWaalsContact C-N 3.29Å; G896-S898 PolarHBondContact O-N 3.24Å; G896-V899 WeakPolarHBondContact O-CB 3.42Å; G896-V899 WeakPolarHBondContact O-CG2 3.25Å; G896-V899 PolarHBondContact O-N 2.65Å
897	L	84.3	Confident	82.8	Confident	90 Å²	90	56 Å²	56	47%	0.471	28%	0.283	S	S	.	.	H	α-helix	trans	-66.7	-26.4	175.3	-70.9	161.4	0	0	0	112.9	L893 L894 V899 F900	L893-L897 HydrophobicContact CG-CD1 4.35Å; L893-L897 WeakPolarHBondContact O-CG 3.48Å; L893-L897 PolarHBondContact O-N 3.48Å; L894-L897 HydrophobicContact CD2-CD1 4.45Å; L894-L897 CarbonylContact O-C 3.52Å; L894-L897 WeakPolarHBondContact O-CB 3.48Å; L894-L897 PolarHBondContact O-N 3.07Å; L894-L897 VanDerWaalsContact O-N 3.13Å; L897-V899 PolarHBondContact O-N 3.22Å; L897-V899 VanDerWaalsContact O-N 3.11Å; L897-F900 HydrophobicContact CD2-CD2 4.44Å; L897-F900 HydrophobicContact CD2-CE2 4.46Å; L897-F900 PolarHBondContact O-N 3.08Å; L897-F900 VanDerWaalsContact O-N 3.1Å
898	S	82.2	Confident	82.4	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.014	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-58.8	-21.2	174.9	-49.5	0	0	0	0	113.8	Y481 V485 L894 T895 G896 F900 M901	Y481-S898 WeakPolarHBondContact CE2-OG 2.99Å; Y481-S898 PolarHBondContact OH-OG 3.32Å; V485-S898 WeakPolarHBondContact CG2-OG 3.41Å; L894-S898 PolarHBondContact O-N 2.95Å; L894-S898 PolarHBondContact O-OG 3.21Å; T895-S898 WeakPolarHBondContact O-CB 3.32Å; T895-S898 PolarHBondContact O-N 3.48Å; T895-S898 PolarHBondContact O-OG 3.01Å; G896-S898 VanDerWaalsContact C-N 3.29Å; G896-S898 PolarHBondContact O-N 3.24Å; S898-F900 PolarHBondContact O-N 3.35Å; S898-M901 WeakPolarHBondContact O-CA 2.99Å; S898-M901 WeakPolarHBondContact O-CB 3.49Å; S898-M901 PolarHBondContact O-N 2.95Å
899	V	77.7	Confident	82.2	Confident	22 Å²	22	57.2 Å²	57.2	13%	0.133	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-58.3	-35.1	175.4	173.6	0	0	0	0	111.2	L506 F509 F767 G896 L897 M901 A902	L506-V899 HydrophobicContact CD1-CG1 3.52Å; L506-V899 HydrophobicContact CD1-CG2 4.26Å; F509-V899 HydrophobicContact CB-CG2 3.71Å; F509-V899 HydrophobicContact CD1-CG2 4.49Å; F509-V899 HydrophobicContact CG-CG2 4.18Å; F767-V899 HydrophobicContact CD2-CG1 3.91Å; F767-V899 HydrophobicContact CE2-CG1 4.35Å; G896-V899 WeakPolarHBondContact O-CB 3.42Å; G896-V899 WeakPolarHBondContact O-CG2 3.25Å; G896-V899 PolarHBondContact O-N 2.65Å; L897-V899 PolarHBondContact O-N 3.22Å; L897-V899 VanDerWaalsContact O-N 3.11Å; V899-M901 PolarHBondContact O-N 3.3Å; V899-A902 VanDerWaalsContact O-CB 3.28Å; V899-A902 WeakPolarHBondContact O-CB 3.37Å; V899-A902 PolarHBondContact O-N 3.4Å
900	F	76.3	Confident	81.7	Confident	169 Å²	169	57.2 Å²	57.2	74%	0.741	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-71.1	-16.5	174.9	-61.2	-70.4	0	0	0	113.4	L897 S898 A902	L897-F900 HydrophobicContact CD2-CD2 4.44Å; L897-F900 HydrophobicContact CD2-CE2 4.46Å; L897-F900 PolarHBondContact O-N 3.08Å; L897-F900 VanDerWaalsContact O-N 3.1Å; S898-F900 PolarHBondContact O-N 3.35Å; F900-A902 VanDerWaalsContact C-N 3.29Å
901	M	71.9	Confident	81.6	Confident	105 Å²	105	52.5 Å²	52.5	52%	0.517	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-86.3	5.8	173.6	-64.3	-68	178.6	0	0	113.1	S898 V899 P903 I904 L905	S898-M901 WeakPolarHBondContact O-CA 2.99Å; S898-M901 WeakPolarHBondContact O-CB 3.49Å; S898-M901 PolarHBondContact O-N 2.95Å; V899-M901 PolarHBondContact O-N 3.3Å; M901-P903 VanDerWaalsContact C-N 3.27Å; M901-P903 WeakPolarHBondContact O-CD 3.17Å; M901-I904 WeakPolarHBondContact O-CB 3.41Å; M901-I904 PolarHBondContact O-N 3.46Å; M901-I904 HydrophobicContact SD-CD1 3.74Å; M901-L905 HydrophobicContact CB-CD1 3.96Å; M901-L905 VanDerWaalsContact O-CD1 3.23Å; M901-L905 WeakPolarHBondContact O-CD1 3.27Å; M901-L905 PolarHBondContact O-N 2.96Å
902	A	68.7	Low	81.4	Confident	12 Å²	12	52.5 Å²	52.5	10%	0.099	27%	0.268	C	S	.	.	H	α-helix	trans	-44.8	-37.9	178.9	0	0	0	0	0	115.6	V763 V899 F900 I904 L905 K906	V763-A902 HydrophobicContact CG1-CB 3.86Å; V899-A902 VanDerWaalsContact O-CB 3.28Å; V899-A902 WeakPolarHBondContact O-CB 3.37Å; V899-A902 PolarHBondContact O-N 3.4Å; F900-A902 VanDerWaalsContact C-N 3.29Å; A902-I904 PolarHBondContact O-N 2.86Å; A902-L905 PolarHBondContact O-N 3Å; A902-K906 PolarHBondContact O-N 3.33Å
903	P	73.5	Confident	80.9	Confident	83 Å²	83	52.9 Å²	52.9	54%	0.539	27%	0.27	S	S	.	.	H	α-helix	trans	-59.5	-31.9	174.9	-25.7	36.2	0	0	0	114.2	M901 F907	M901-P903 VanDerWaalsContact C-N 3.27Å; M901-P903 WeakPolarHBondContact O-CD 3.17Å; P903-F907 VanDerWaalsContact O-CD2 3.31Å; P903-F907 WeakPolarHBondContact O-CD2 3.5Å; P903-F907 VanDerWaalsContact O-CE2 3.27Å; P903-F907 WeakPolarHBondContact O-CE2 3.42Å
904	I	75	Confident	80.7	Confident	107 Å²	107	49.5 Å²	49.5	55%	0.549	25%	0.251	S	S	.	.	H	α-helix	trans	-77.4	-40.4	177	-55.8	-179.9	0	0	0	110.3	M901 A902 K906 F907	M901-I904 WeakPolarHBondContact O-CB 3.41Å; M901-I904 PolarHBondContact O-N 3.46Å; M901-I904 HydrophobicContact SD-CD1 3.74Å; A902-I904 PolarHBondContact O-N 2.86Å; I904-K906 PolarHBondContact O-N 3.27Å; I904-F907 PolarHBondContact O-N 3.35Å; I904-F907 VanDerWaalsContact O-N 3.12Å
905	L	71.3	Confident	80.6	Confident	17 Å²	17	47.1 Å²	47.1	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-29.7	-178.5	-83.6	70.1	0	0	0	112.8	I489 F509 M901 A902 F907 I908	I489-L905 HydrophobicContact CD1-CD2 3.68Å; I489-L905 HydrophobicContact CD1-CG 4.07Å; I489-L905 HydrophobicContact CG1-CD2 3.93Å; F509-L905 HydrophobicContact CE2-CD2 3.74Å; F509-L905 HydrophobicContact CZ-CD2 3.58Å; M901-L905 HydrophobicContact CB-CD1 3.96Å; M901-L905 VanDerWaalsContact O-CD1 3.23Å; M901-L905 WeakPolarHBondContact O-CD1 3.27Å; M901-L905 PolarHBondContact O-N 2.96Å; A902-L905 PolarHBondContact O-N 3Å; L905-F907 PolarHBondContact O-N 3.26Å; L905-I908 PolarHBondContact O-N 3.11Å; L905-I908 VanDerWaalsContact O-N 3.16Å
906	K	76.1	Confident	80.3	Confident	128 Å²	128	47.1 Å²	47.1	56%	0.557	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.4	176	-174	177	177.8	-176.4	0	113.4	K760 A902 I904 I908	K760-K906 WeakPolarHBondContact CB-O 3.45Å; A902-K906 PolarHBondContact O-N 3.33Å; I904-K906 PolarHBondContact O-N 3.27Å; K906-I908 VanDerWaalsContact C-N 3.34Å
907	F	80.4	Confident	79.9	Confident	133 Å²	133	46.4 Å²	46.4	58%	0.583	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-13.5	179.8	-66.3	-75.2	0	0	0	113.9	P903 I904 L905 P909	P903-F907 VanDerWaalsContact O-CD2 3.31Å; P903-F907 WeakPolarHBondContact O-CD2 3.5Å; P903-F907 VanDerWaalsContact O-CE2 3.27Å; P903-F907 WeakPolarHBondContact O-CE2 3.42Å; I904-F907 PolarHBondContact O-N 3.35Å; I904-F907 VanDerWaalsContact O-N 3.12Å; L905-F907 PolarHBondContact O-N 3.26Å; F907-P909 VanDerWaalsContact O-CD 3.3Å; F907-P909 WeakPolarHBondContact O-CD 3.25Å
908	I	82	Confident	80	Confident	25 Å²	25	42.5 Å²	42.5	13%	0.128	21%	0.208	C	C	.	.			trans	-74.3	119	-176.7	-57.5	174.2	0	0	0	109.9	L761 L905 K906 L913	L761-I908 HydrophobicContact CD1-CB 4.14Å; L761-I908 HydrophobicContact CD1-CG2 4.36Å; L761-I908 PolarHBondContact N-O 3.37Å; L905-I908 PolarHBondContact O-N 3.11Å; L905-I908 VanDerWaalsContact O-N 3.16Å; K906-I908 VanDerWaalsContact C-N 3.34Å; I908-L913 HydrophobicContact CG2-CD1 3.89Å; I908-L913 HydrophobicContact CG2-CD2 4.1Å; I908-L913 HydrophobicContact CG2-CG 3.89Å
909	P	85.5	Confident	80.1	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-79.6	139.1	178.9	34.2	-36.3	0	0	0	111	L707 D751 T758 K760 F907 P911 V912	L707-P909 HydrophobicContact CD1-CB 4.32Å; L707-P909 HydrophobicContact CD1-CG 4.12Å; D751-P909 HydrophobicContact CB-CG 4.13Å; T758-P909 WeakPolarHBondContact OG1-CB 3.43Å; K760-P909 HydrophobicContact CG-CB 4.41Å; F907-P909 VanDerWaalsContact O-CD 3.3Å; F907-P909 WeakPolarHBondContact O-CD 3.25Å; P909-P911 VanDerWaalsContact C-CD 3.44Å; P909-V912 HydrophobicContact CG-CB 4.21Å; P909-V912 HydrophobicContact CG-CG2 3.69Å; P909-V912 PolarHBondContact O-N 3.08Å
910	M	82.5	Confident	80.1	Confident	36 Å²	36	44.2 Å²	44.2	18%	0.177	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-36.1	-177.7	-66.7	-156.7	-172.8	0	0	115.1	P759 L761 V912 L913 Y914	P759-M910 PolarHBondContact O-N 2.7Å; L761-M910 HydrophobicContact CD2-CE 4.37Å; M910-V912 VanDerWaalsContact C-N 3.28Å; M910-V912 PolarHBondContact O-N 3.41Å; M910-L913 WeakPolarHBondContact O-CB 3.2Å; M910-L913 PolarHBondContact O-N 3.5Å; M910-Y914 HydrophobicContact CB-CE1 4.47Å; M910-Y914 HydrophobicContact CB-CE2 4.4Å; M910-Y914 PolarHBondContact O-N 3.23Å
911	P	89.1	Confident	80.2	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.8	-33.3	178	-26.5	35.8	0	0	0	114.3	M612 L615 S704 L707 F708 P759 P909 Y914 G915	M612-P911 HydrophobicContact SD-CB 4.18Å; L615-P911 HydrophobicContact CD2-CG 4.03Å; S704-P911 WeakPolarHBondContact O-CB 3.45Å; S704-P911 WeakPolarHBondContact OG-CG 3.4Å; L707-P911 HydrophobicContact CB-CB 4.13Å; F708-P911 WeakPolarHBondContact CA-O 3.45Å; P759-P911 HydrophobicContact CG-CG 4.4Å; P909-P911 VanDerWaalsContact C-CD 3.44Å; P911-Y914 PolarHBondContact O-N 2.82Å; P911-G915 PolarHBondContact O-N 2.97Å
912	V	87.8	Confident	80.8	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-45.4	173.6	169.1	0	0	0	0	110	L707 T711 I744 F747 P909 M910 Y914 G915 V916	L707-V912 HydrophobicContact CB-CG2 3.98Å; L707-V912 HydrophobicContact CD1-CG2 4.44Å; L707-V912 HydrophobicContact CD2-CG2 4.18Å; L707-V912 HydrophobicContact CG-CG2 4.44Å; T711-V912 HydrophobicContact CG2-CG1 3.99Å; T711-V912 WeakPolarHBondContact CG2-O 3.46Å; I744-V912 HydrophobicContact CB-CG1 4.43Å; I744-V912 HydrophobicContact CG1-CG1 4.17Å; I744-V912 HydrophobicContact CG2-CG1 4.41Å; F747-V912 HydrophobicContact CB-CG1 4.44Å; F747-V912 HydrophobicContact CB-CG2 3.66Å; P909-V912 HydrophobicContact CG-CB 4.21Å; P909-V912 HydrophobicContact CG-CG2 3.69Å; P909-V912 PolarHBondContact O-N 3.08Å; M910-V912 VanDerWaalsContact C-N 3.28Å; M910-V912 PolarHBondContact O-N 3.41Å; V912-Y914 VanDerWaalsContact C-N 3.33Å; V912-Y914 PolarHBondContact O-N 3.15Å; V912-G915 WeakPolarHBondContact O-CA 3.41Å; V912-G915 PolarHBondContact O-N 2.88Å; V912-V916 PolarHBondContact O-N 3.42Å
913	L	81.6	Confident	81.4	Confident	7 Å²	7	34 Å²	34	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-66.2	-34.7	178.6	-64.6	172.8	0	0	0	112.7	T486 I489 T490 L761 I908 M910 G915 V916 F917	T486-L913 HydrophobicContact CG2-CD2 4.1Å; I489-L913 HydrophobicContact CG2-CD1 3.85Å; T490-L913 HydrophobicContact CG2-CB 3.74Å; T490-L913 HydrophobicContact CG2-CD1 3.96Å; T490-L913 HydrophobicContact CG2-CD2 4.02Å; T490-L913 HydrophobicContact CG2-CG 4.12Å; L761-L913 HydrophobicContact CD1-CD1 3.55Å; L761-L913 HydrophobicContact CG-CD1 4.4Å; I908-L913 HydrophobicContact CG2-CD1 3.89Å; I908-L913 HydrophobicContact CG2-CD2 4.1Å; I908-L913 HydrophobicContact CG2-CG 3.89Å; M910-L913 WeakPolarHBondContact O-CB 3.2Å; M910-L913 PolarHBondContact O-N 3.5Å; L913-G915 VanDerWaalsContact C-N 3.29Å; L913-G915 PolarHBondContact O-N 3.37Å; L913-V916 PolarHBondContact O-N 3.21Å; L913-F917 PolarHBondContact O-N 2.99Å
914	Y	85.6	Confident	81.4	Confident	28 Å²	28	31 Å²	31	11%	0.11	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-34.8	170.2	-58.6	-17.5	0	0	0	111.5	K611 M612 F708 M910 P911 V912 F917 L918	K611-Y914 HydrophobicContact CB-CD2 4.05Å; K611-Y914 HydrophobicContact CB-CE1 4.29Å; K611-Y914 HydrophobicContact CB-CE2 3.7Å; K611-Y914 HydrophobicContact CB-CG 4.49Å; K611-Y914 HydrophobicContact CD-CD1 4.27Å; K611-Y914 HydrophobicContact CD-CE1 3.84Å; M612-Y914 HydrophobicContact CG-CD2 4.12Å; M612-Y914 HydrophobicContact SD-CD2 3.75Å; F708-Y914 VanDerWaalsContact CE2-C 3.48Å; F708-Y914 WeakPolarHBondContact CE2-O 3.05Å; M910-Y914 HydrophobicContact CB-CE1 4.47Å; M910-Y914 HydrophobicContact CB-CE2 4.4Å; M910-Y914 PolarHBondContact O-N 3.23Å; P911-Y914 PolarHBondContact O-N 2.82Å; V912-Y914 VanDerWaalsContact C-N 3.33Å; V912-Y914 PolarHBondContact O-N 3.15Å; Y914-F917 HydrophobicContact CD1-CD2 4.22Å; Y914-F917 WeakPolarHBondContact O-CB 3.45Å; Y914-F917 PolarHBondContact O-N 2.81Å; Y914-L918 PolarHBondContact O-N 2.95Å
915	G	87.2	Confident	81.5	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.8	-38.7	173.3	0	0	0	0	0	112.9	F708 P911 V912 L913 L918 Y919	F708-G915 VanDerWaalsContact CD2-N 3.33Å; F708-G915 WeakPolarHBondContact O-CA 3.48Å; P911-G915 PolarHBondContact O-N 2.97Å; V912-G915 WeakPolarHBondContact O-CA 3.41Å; V912-G915 PolarHBondContact O-N 2.88Å; L913-G915 VanDerWaalsContact C-N 3.29Å; L913-G915 PolarHBondContact O-N 3.37Å; G915-L918 PolarHBondContact O-N 3.33Å; G915-Y919 PolarHBondContact O-N 3.25Å
916	V	81.8	Confident	81.5	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-39.3	171.7	-177.8	0	0	0	0	111.4	T486 T711 I740 I744 V912 L913 L918 Y919 M920	T486-V916 HydrophobicContact CG2-CG1 4.09Å; T711-V916 HydrophobicContact CG2-CG2 3.61Å; I740-V916 HydrophobicContact CG2-CG1 3.68Å; I740-V916 HydrophobicContact CG2-CG2 4.2Å; I744-V916 HydrophobicContact CD1-CG2 4.06Å; I744-V916 HydrophobicContact CG1-CG2 3.82Å; V912-V916 PolarHBondContact O-N 3.42Å; L913-V916 PolarHBondContact O-N 3.21Å; V916-L918 PolarHBondContact O-N 3.45Å; V916-Y919 WeakPolarHBondContact O-CB 3.44Å; V916-Y919 PolarHBondContact O-N 3.18Å; V916-M920 HydrophobicContact CG1-CE 4.36Å; V916-M920 HydrophobicContact CG1-CG 4.35Å; V916-M920 HydrophobicContact CG1-SD 4.48Å; V916-M920 WeakPolarHBondContact O-CG 3.27Å; V916-M920 PolarHBondContact O-N 2.92Å
917	F	78.1	Confident	81.2	Confident	10 Å²	10	29.6 Å²	29.6	4%	0.044	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-43.7	172.8	-85.6	-40.7	0	0	0	112.6	T490 L494 A608 L913 Y914 Y919 M920 G921	T490-F917 HydrophobicContact CG2-CE2 4Å; T490-F917 HydrophobicContact CG2-CZ 3.99Å; T490-F917 WeakPolarHBondContact OG1-CE1 3.44Å; T490-F917 WeakPolarHBondContact OG1-CZ 3.22Å; L494-F917 HydrophobicContact CD1-CE2 4.06Å; L494-F917 HydrophobicContact CD1-CZ 4.08Å; A608-F917 HydrophobicContact CB-CB 4.28Å; L913-F917 PolarHBondContact O-N 2.99Å; Y914-F917 HydrophobicContact CD1-CD2 4.22Å; Y914-F917 WeakPolarHBondContact O-CB 3.45Å; Y914-F917 PolarHBondContact O-N 2.81Å; F917-Y919 VanDerWaalsContact C-N 3.33Å; F917-Y919 PolarHBondContact O-N 3.41Å; F917-M920 HydrophobicContact CD1-CE 3.6Å; F917-M920 HydrophobicContact CE1-CE 4.09Å; F917-M920 PolarHBondContact O-N 3.41Å; F917-G921 PolarHBondContact O-N 3.11Å
918	L	85.5	Confident	81.2	Confident	7 Å²	7	23.9 Å²	23.9	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-60.8	-44	174.7	-179.2	63.7	0	0	0	110.9	I605 A608 F609 F708 Y712 Y914 G915 V916 G921 V922	I605-L918 HydrophobicContact CB-CD1 4.38Å; I605-L918 HydrophobicContact CG1-CD1 4.21Å; I605-L918 HydrophobicContact CG2-CD1 3.99Å; A608-L918 HydrophobicContact CB-CB 4.33Å; F609-L918 HydrophobicContact CD2-CD1 4.32Å; F609-L918 HydrophobicContact CE2-CD1 3.64Å; F609-L918 HydrophobicContact CE2-CD2 4.29Å; F609-L918 HydrophobicContact CZ-CD1 4.2Å; F609-L918 HydrophobicContact CZ-CD2 4Å; F708-L918 HydrophobicContact CE1-CD2 4.11Å; F708-L918 HydrophobicContact CE2-CB 4.26Å; F708-L918 HydrophobicContact CE2-CD2 4.42Å; F708-L918 HydrophobicContact CZ-CB 4.26Å; F708-L918 HydrophobicContact CZ-CD2 3.73Å; Y712-L918 HydrophobicContact CD1-CD2 4.09Å; Y712-L918 HydrophobicContact CD2-CB 4.25Å; Y712-L918 HydrophobicContact CD2-CD2 3.91Å; Y712-L918 HydrophobicContact CD2-CG 3.75Å; Y712-L918 HydrophobicContact CE2-CD2 4.4Å; Y712-L918 HydrophobicContact CE2-CG 4.09Å; Y712-L918 HydrophobicContact CG-CD2 3.74Å; Y712-L918 HydrophobicContact CG-CG 4.12Å; Y914-L918 PolarHBondContact O-N 2.95Å; G915-L918 PolarHBondContact O-N 3.33Å; V916-L918 PolarHBondContact O-N 3.45Å; L918-G921 PolarHBondContact O-N 3.4Å; L918-V922 HydrophobicContact CD1-CG2 4.35Å; L918-V922 WeakPolarHBondContact O-CG2 3.36Å; L918-V922 PolarHBondContact O-N 3.4Å
919	Y	85.3	Confident	81.1	Confident	26 Å²	26	24.7 Å²	24.7	10%	0.102	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-47.9	174.7	164.1	-90.2	0	0	0	111.8	M716 K719 I740 G915 V916 F917 G921 V922 A923	M716-Y919 HydrophobicContact SD-CD2 4.49Å; M716-Y919 HydrophobicContact SD-CE2 4.31Å; K719-Y919 HydrophobicContact CB-CE2 4.49Å; K719-Y919 HydrophobicContact CG-CE2 4.07Å; K719-Y919 WeakPolarHBondContact CG-OH 3.46Å; I740-Y919 HydrophobicContact CD1-CD1 4.24Å; I740-Y919 HydrophobicContact CD1-CE1 3.7Å; I740-Y919 HydrophobicContact CG1-CD1 4.31Å; I740-Y919 HydrophobicContact CG1-CE1 3.97Å; G915-Y919 PolarHBondContact O-N 3.25Å; V916-Y919 WeakPolarHBondContact O-CB 3.44Å; V916-Y919 PolarHBondContact O-N 3.18Å; F917-Y919 VanDerWaalsContact C-N 3.33Å; F917-Y919 PolarHBondContact O-N 3.41Å; Y919-G921 PolarHBondContact O-N 3.05Å; Y919-V922 PolarHBondContact O-N 2.95Å; Y919-A923 HydrophobicContact CE1-CB 4.2Å; Y919-A923 HydrophobicContact CE2-CB 4.21Å; Y919-A923 VanDerWaalsContact O-CB 3.27Å; Y919-A923 WeakPolarHBondContact O-CB 3.5Å; Y919-A923 PolarHBondContact O-N 3.06Å
920	M	76.6	Confident	81.1	Confident	35 Å²	35	24.9 Å²	24.9	17%	0.172	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-41.9	-178.8	-70.2	-168.3	-61.1	0	0	112	V916 F917 V922 A923 S924	V916-M920 HydrophobicContact CG1-CE 4.36Å; V916-M920 HydrophobicContact CG1-CG 4.35Å; V916-M920 HydrophobicContact CG1-SD 4.48Å; V916-M920 WeakPolarHBondContact O-CG 3.27Å; V916-M920 PolarHBondContact O-N 2.92Å; F917-M920 HydrophobicContact CD1-CE 3.6Å; F917-M920 HydrophobicContact CE1-CE 4.09Å; F917-M920 PolarHBondContact O-N 3.41Å; M920-V922 PolarHBondContact O-N 3.26Å; M920-A923 PolarHBondContact O-N 3.34Å; M920-S924 PolarHBondContact O-N 3.42Å; M920-S924 VanDerWaalsContact O-N 3.1Å; M920-S924 PolarHBondContact O-OG 3.44Å; M920-S924 VanDerWaalsContact O-OG 3.13Å
921	G	78.9	Confident	81.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.9	-27.7	177.1	0	0	0	0	0	114.5	S601 F917 L918 Y919 S924 L925	S601-G921 WeakPolarHBondContact CB-O 3.49Å; F917-G921 PolarHBondContact O-N 3.11Å; L918-G921 PolarHBondContact O-N 3.4Å; Y919-G921 PolarHBondContact O-N 3.05Å; G921-S924 PolarHBondContact O-OG 3.12Å; G921-L925 WeakPolarHBondContact O-CG 3.38Å
922	V	85.1	Confident	81	Confident	39 Å²	39	26.8 Å²	26.8	24%	0.236	16%	0.158	C	C	.	.	H	α-helix	trans	-81.3	-38.4	172.8	173.2	0	0	0	0	111.3	I605 Y712 L918 Y919 M920 S924 L925	I605-V922 HydrophobicContact CD1-CG2 3.98Å; I605-V922 HydrophobicContact CG1-CG2 4.12Å; Y712-V922 HydrophobicContact CE2-CB 4.22Å; Y712-V922 HydrophobicContact CE2-CG2 4.08Å; L918-V922 HydrophobicContact CD1-CG2 4.35Å; L918-V922 WeakPolarHBondContact O-CG2 3.36Å; L918-V922 PolarHBondContact O-N 3.4Å; Y919-V922 PolarHBondContact O-N 2.95Å; M920-V922 PolarHBondContact O-N 3.26Å; V922-S924 VanDerWaalsContact C-N 3.34Å; V922-S924 PolarHBondContact O-N 2.93Å; V922-L925 PolarHBondContact O-N 2.64Å
923	A	80	Confident	81	Confident	33 Å²	33	26.8 Å²	26.8	27%	0.273	16%	0.158	S	C	.	.	H	α-helix	trans	-65	-36.4	179.5	0	0	0	0	0	112.4	Y919 M920 L925 N926	Y919-A923 HydrophobicContact CE1-CB 4.2Å; Y919-A923 HydrophobicContact CE2-CB 4.21Å; Y919-A923 VanDerWaalsContact O-CB 3.27Å; Y919-A923 WeakPolarHBondContact O-CB 3.5Å; Y919-A923 PolarHBondContact O-N 3.06Å; M920-A923 PolarHBondContact O-N 3.34Å; A923-L925 PolarHBondContact O-N 3.27Å; A923-N926 WeakPolarHBondContact O-CB 3.39Å; A923-N926 PolarHBondContact O-N 2.84Å
924	S	73.8	Confident	81.2	Confident	18 Å²	18	29.1 Å²	29.1	13%	0.126	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.3	177.5	56.5	0	0	0	0	114.8	S601 M920 G921 V922 V928	S601-S924 WeakPolarHBondContact CB-OG 3.15Å; S601-S924 WeakPolarHBondContact OG-CB 3.25Å; S601-S924 PolarHBondContact OG-OG 3.25Å; M920-S924 PolarHBondContact O-N 3.42Å; M920-S924 VanDerWaalsContact O-N 3.1Å; M920-S924 PolarHBondContact O-OG 3.44Å; M920-S924 VanDerWaalsContact O-OG 3.13Å; G921-S924 PolarHBondContact O-OG 3.12Å; V922-S924 VanDerWaalsContact C-N 3.34Å; V922-S924 PolarHBondContact O-N 2.93Å; S924-V928 WeakPolarHBondContact O-CG2 3.46Å
925	L	77.2	Confident	81.2	Confident	23 Å²	23	33.6 Å²	33.6	12%	0.12	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-21.5	172.7	-68.4	172	0	0	0	112.8	A598 I605 G921 V922 A923 G927 M931	A598-L925 HydrophobicContact CB-CD2 4.4Å; I605-L925 HydrophobicContact CD1-CD1 3.64Å; G921-L925 WeakPolarHBondContact O-CG 3.38Å; V922-L925 PolarHBondContact O-N 2.64Å; A923-L925 PolarHBondContact O-N 3.27Å; L925-G927 PolarHBondContact O-N 3.33Å; L925-M931 HydrophobicContact CB-CE 4.47Å; L925-M931 HydrophobicContact CB-CG 4.21Å; L925-M931 HydrophobicContact CD1-CE 3.82Å; L925-M931 HydrophobicContact CD2-CE 3.51Å; L925-M931 HydrophobicContact CD2-CG 4.1Å; L925-M931 HydrophobicContact CG-CE 4.11Å
926	N	72.4	Confident	81.1	Confident	141 Å²	141	33.8 Å²	33.8	75%	0.754	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	112.7	-176.5	-167.4	30.2	0	0	0	109.9	A923	A923-N926 WeakPolarHBondContact O-CB 3.39Å; A923-N926 PolarHBondContact O-N 2.84Å
927	G	69.5	Low	81.3	Confident	59 Å²	59	37.3 Å²	37.3	61%	0.608	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.7	4	-174.6	0	0	0	0	0	115.4	L925	L925-G927 PolarHBondContact O-N 3.33Å
928	V	79	Confident	81.6	Confident	13 Å²	13	44.4 Å²	44.4	8%	0.079	25%	0.249	C	C	.	.			trans	-89.9	120	170.1	-174.1	0	0	0	0	108.6	E594 S924 F930 M931 D932	E594-V928 HydrophobicContact CB-CG1 3.6Å; E594-V928 HydrophobicContact CG-CG1 3.72Å; S924-V928 WeakPolarHBondContact O-CG2 3.46Å; V928-F930 HydrophobicContact CG1-CB 3.99Å; V928-F930 PolarHBondContact O-N 3.11Å; V928-F930 VanDerWaalsContact O-N 3.13Å; V928-M931 WeakPolarHBondContact O-CB 3.41Å; V928-M931 PolarHBondContact O-N 3.09Å; V928-D932 PolarHBondContact O-N 3.31Å
929	Q	80.1	Confident	81.5	Confident	43 Å²	43	47.5 Å²	47.5	20%	0.201	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-25.4	-175.4	-70.3	-176.2	-16.4	0	0	113	E594 M931 D932 R933	E594-Q929 VanDerWaalsContact OE1-CB 3.32Å; E594-Q929 WeakPolarHBondContact OE1-CB 3.31Å; E594-Q929 PolarHBondContact OE1-N 3.19Å; E594-Q929 VanDerWaalsContact OE1-N 3.07Å; E594-Q929 PolarHBondContact OE2-N 3.35Å; Q929-M931 PolarHBondContact O-N 2.95Å; Q929-D932 PolarHBondContact O-N 3.38Å; Q929-R933 VanDerWaalsContact O-CB 3.26Å; Q929-R933 WeakPolarHBondContact O-CB 3.47Å; Q929-R933 WeakPolarHBondContact O-CG 3.43Å; Q929-R933 PolarHBondContact O-N 2.96Å; Q929-R933 PolarHBondContact O-NE 3.34Å
930	F	85.9	Confident	81.3	Confident	3 Å²	3	50 Å²	50	1%	0.013	28%	0.284	C	S	.	.	H	α-helix	trans	-52.3	-40.3	168	171.9	-110.7	0	0	0	112.4	E594 A598 F602 V928 L934 Q965 V966 L969	E594-F930 HydrophobicContact CB-CB 4.17Å; E594-F930 PolarHBondContact OE2-N 3.48Å; A598-F930 HydrophobicContact CB-CD1 3.6Å; A598-F930 HydrophobicContact CB-CE1 3.89Å; F602-F930 HydrophobicContact CE2-CE1 4.41Å; V928-F930 HydrophobicContact CG1-CB 3.99Å; V928-F930 PolarHBondContact O-N 3.11Å; V928-F930 VanDerWaalsContact O-N 3.13Å; F930-L934 VanDerWaalsContact O-CB 3.28Å; F930-L934 WeakPolarHBondContact O-CB 3.32Å; F930-L934 PolarHBondContact O-N 2.9Å; F930-Q965 HydrophobicContact CD2-CB 4.23Å; F930-Q965 HydrophobicContact CD2-CG 3.83Å; F930-Q965 VanDerWaalsContact CD2-OE1 3.28Å; F930-Q965 HydrophobicContact CE2-CB 4.02Å; F930-Q965 HydrophobicContact CE2-CG 3.89Å; F930-V966 HydrophobicContact CE2-CG2 3.82Å; F930-V966 HydrophobicContact CZ-CG2 3.82Å; F930-L969 HydrophobicContact CE1-CD1 4.2Å; F930-L969 HydrophobicContact CZ-CD1 4.44Å
931	M	85.9	Confident	81.2	Confident	21 Å²	21	51.7 Å²	51.7	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-73.5	-39.5	177.9	-83.6	-63.7	-174.2	0	0	112.9	F602 L925 V928 Q929 R933 L934 Q935	F602-M931 HydrophobicContact CE1-CE 3.52Å; F602-M931 HydrophobicContact CE2-CE 4.1Å; F602-M931 HydrophobicContact CZ-CE 3.22Å; L925-M931 HydrophobicContact CB-CE 4.47Å; L925-M931 HydrophobicContact CB-CG 4.21Å; L925-M931 HydrophobicContact CD1-CE 3.82Å; L925-M931 HydrophobicContact CD2-CE 3.51Å; L925-M931 HydrophobicContact CD2-CG 4.1Å; L925-M931 HydrophobicContact CG-CE 4.11Å; V928-M931 WeakPolarHBondContact O-CB 3.41Å; V928-M931 PolarHBondContact O-N 3.09Å; Q929-M931 PolarHBondContact O-N 2.95Å; M931-R933 VanDerWaalsContact C-N 3.33Å; M931-L934 HydrophobicContact CE-CD2 4.49Å; M931-L934 PolarHBondContact O-N 3.2Å; M931-L934 HydrophobicContact SD-CD2 3.9Å; M931-Q935 WeakPolarHBondContact O-CG 2.99Å; M931-Q935 PolarHBondContact O-N 3.49Å
932	D	84.2	Confident	81.1	Confident	56 Å²	56	60.8 Å²	60.8	30%	0.299	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-46.6	173.9	-54.2	-31.6	0	0	0	109.8	V928 Q929 L934 Q935 L936	V928-D932 PolarHBondContact O-N 3.31Å; Q929-D932 PolarHBondContact O-N 3.38Å; D932-L934 VanDerWaalsContact C-N 3.31Å; D932-L934 PolarHBondContact O-N 3.25Å; D932-Q935 WeakPolarHBondContact O-CB 3.39Å; D932-Q935 PolarHBondContact O-N 3.09Å; D932-Q935 VanDerWaalsContact O-N 3.11Å; D932-L936 WeakPolarHBondContact O-CG 3.44Å; D932-L936 PolarHBondContact O-N 3.25Å
933	R	87.1	Confident	80.5	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-31.2	176.2	-66.2	179.6	-73	-170.4	-3.8	113	E594 Q929 M931 L936 L937 Y949 I958 T962 L1010	E594-R933 IonicContact OE2-CZ 3.29Å; E594-R933 IonicContact OE2-NH2 2.72Å; E594-R933 PolarHBondContact OE2-NH2 2.99Å; Q929-R933 VanDerWaalsContact O-CB 3.26Å; Q929-R933 WeakPolarHBondContact O-CB 3.47Å; Q929-R933 WeakPolarHBondContact O-CG 3.43Å; Q929-R933 PolarHBondContact O-N 2.96Å; Q929-R933 PolarHBondContact O-NE 3.34Å; M931-R933 VanDerWaalsContact C-N 3.33Å; R933-L936 PolarHBondContact O-N 3.24Å; R933-L937 PolarHBondContact O-N 3.35Å; R933-Y949 HydrophobicContact CG-CE2 4.2Å; R933-Y949 VanDerWaalsContact CG-OH 3.28Å; R933-Y949 WeakPolarHBondContact CG-OH 3.43Å; R933-I958 HydrophobicContact CG-CG2 4.5Å; R933-T962 HydrophobicContact CB-CG2 3.47Å; R933-T962 VanDerWaalsContact CB-CG2 3.47Å; R933-T962 HydrophobicContact CG-CG2 4.39Å; R933-L1010 PolarHBondContact NH1-O 2.93Å
934	L	86.9	Confident	80	Confident	55 Å²	55	64.1 Å²	64.1	29%	0.288	35%	0.35	S	S	.	.	H	α-helix	trans	-71.8	-36	171.8	-174.6	63.5	0	0	0	111.9	F930 M931 D932 L936 L937 V966	F930-L934 VanDerWaalsContact O-CB 3.28Å; F930-L934 WeakPolarHBondContact O-CB 3.32Å; F930-L934 PolarHBondContact O-N 2.9Å; M931-L934 HydrophobicContact CE-CD2 4.49Å; M931-L934 PolarHBondContact O-N 3.2Å; M931-L934 HydrophobicContact SD-CD2 3.9Å; D932-L934 VanDerWaalsContact C-N 3.31Å; D932-L934 PolarHBondContact O-N 3.25Å; L934-L936 VanDerWaalsContact C-N 3.35Å; L934-L937 HydrophobicContact CD1-CD1 4.06Å; L934-L937 WeakPolarHBondContact O-CB 3.36Å; L934-L937 PolarHBondContact O-N 2.97Å; L934-V966 HydrophobicContact CD1-CG2 4.21Å
935	Q	85.6	Confident	79.8	Confident	122 Å²	122	66 Å²	66	57%	0.57	36%	0.361	S	S	*	.	H	α-helix	trans	-66.5	-37.1	171.4	-69.6	173.6	40.7	0	0	111.3	M931 D932 L937 L938 M939	M931-Q935 WeakPolarHBondContact O-CG 2.99Å; M931-Q935 PolarHBondContact O-N 3.49Å; D932-Q935 WeakPolarHBondContact O-CB 3.39Å; D932-Q935 PolarHBondContact O-N 3.09Å; D932-Q935 VanDerWaalsContact O-N 3.11Å; Q935-L937 PolarHBondContact O-N 3.17Å; Q935-L937 VanDerWaalsContact O-N 3.16Å; Q935-L938 CarbonylContact O-C 3.57Å; Q935-L938 PolarHBondContact O-N 3.42Å; Q935-M939 WeakPolarHBondContact O-CB 3.48Å; Q935-M939 PolarHBondContact O-N 2.96Å
936	L	84.9	Confident	78.8	Confident	5 Å²	5	72.2 Å²	72.2	3%	0.026	40%	0.395	C	S	.	.	H	α-helix	trans	-60.7	-19.7	173.9	-68.3	-178.1	0	0	0	114.5	D932 R933 L934 M939 Q944 P945 L947 Y949 L950 H959	D932-L936 WeakPolarHBondContact O-CG 3.44Å; D932-L936 PolarHBondContact O-N 3.25Å; R933-L936 PolarHBondContact O-N 3.24Å; L934-L936 VanDerWaalsContact C-N 3.35Å; L936-M939 HydrophobicContact CD2-SD 4.15Å; L936-Q944 HydrophobicContact CD2-CG 3.86Å; L936-P945 HydrophobicContact CD2-CG 4.4Å; L936-L947 HydrophobicContact CD1-CD1 4.27Å; L936-Y949 HydrophobicContact CD1-CE2 4.19Å; L936-L950 HydrophobicContact CD1-CD1 4.12Å; L936-L950 HydrophobicContact CD1-CD2 4.29Å; L936-H959 PolarHBondContact O-CE1 2.98Å
937	L	84.9	Confident	78.6	Confident	75 Å²	75	68.1 Å²	68.1	39%	0.393	37%	0.373	S	S	.	.	H	α-helix	trans	-74.7	-28.8	171.5	-80.9	160.9	0	0	0	112.6	R933 L934 Q935 H959	R933-L937 PolarHBondContact O-N 3.35Å; L934-L937 HydrophobicContact CD1-CD1 4.06Å; L934-L937 WeakPolarHBondContact O-CB 3.36Å; L934-L937 PolarHBondContact O-N 2.97Å; Q935-L937 PolarHBondContact O-N 3.17Å; Q935-L937 VanDerWaalsContact O-N 3.16Å; L937-H959 HydrophobicContact CD2-CB 4.02Å; L937-H959 VanDerWaalsContact CD2-ND1 3.33Å; L937-H959 WeakPolarHBondContact CD2-ND1 3.44Å
938	L	86.1	Confident	78.3	Confident	158 Å²	158	68.1 Å²	68.1	83%	0.827	36%	0.358	S	S	*	.	H	α-helix	trans	-95.4	-16.4	178.4	-60	177.1	0	0	0	112.4	Q935	Q935-L938 CarbonylContact O-C 3.57Å; Q935-L938 PolarHBondContact O-N 3.42Å
939	M	82.4	Confident	77.9	Confident	72 Å²	72	68 Å²	68	36%	0.355	36%	0.356	S	S	.	.	S	Bend	trans	-83.6	128.4	-178.2	-160.9	173.1	-143.7	0	0	111.3	Q935 L936 H943 P945	Q935-M939 WeakPolarHBondContact O-CB 3.48Å; Q935-M939 PolarHBondContact O-N 2.96Å; L936-M939 HydrophobicContact CD2-SD 4.15Å; M939-H943 HydrophobicContact CE-CB 4.1Å; M939-H943 WeakPolarHBondContact CE-O 3.44Å; M939-H943 HydrophobicContact CG-CB 4.45Å; M939-H943 VanDerWaalsContact SD-O 3.38Å; M939-P945 VanDerWaalsContact SD-CD 3.57Å
940	P	81.8	Confident	77.3	Confident	80 Å²	80	67.9 Å²	67.9	52%	0.519	36%	0.357	S	S	.	.			trans	-69.3	140.2	173.5	29.5	-34.9	0	0	0	110.4	K942 H943	P940-K942 PolarHBondContact O-N 3.46Å; P940-H943 PolarHBondContact O-N 3.28Å
941	A	73.6	Confident	76.4	Confident	69 Å²	69	78.2 Å²	78.2	57%	0.57	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-54.2	-19.3	-174.1	0	0	0	0	0	115.6
942	K	76.2	Confident	75.6	Confident	192 Å²	192	81.1 Å²	81.1	84%	0.835	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-71.7	-28.5	175.8	-176.6	174.2	179.1	-176.6	0	114.1	P940	P940-K942 PolarHBondContact O-N 3.46Å
943	H	73.7	Confident	75.2	Confident	101 Å²	101	78.5 Å²	78.5	47%	0.468	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-104.6	13.6	-177.7	-59.9	89.8	0	0	0	111.9	M939 P940	M939-H943 HydrophobicContact CE-CB 4.1Å; M939-H943 WeakPolarHBondContact CE-O 3.44Å; M939-H943 HydrophobicContact CG-CB 4.45Å; M939-H943 VanDerWaalsContact SD-O 3.38Å; P940-H943 PolarHBondContact O-N 3.28Å
944	Q	69	Low	74.9	Confident	41 Å²	41	82.1 Å²	82.1	19%	0.192	42%	0.418	C	S	.	.			trans	-75.2	124.3	-171	178.5	154.4	19.9	0	0	110.4	L936 L950 Q955	L936-Q944 HydrophobicContact CD2-CG 3.86Å; Q944-L950 HydrophobicContact CG-CD1 3.71Å; Q944-L950 VanDerWaalsContact NE2-CD1 3.28Å; Q944-Q955 VanDerWaalsContact OE1-NE2 3.15Å
945	P	70.1	Confident	74.5	Confident	57 Å²	57	82.8 Å²	82.8	37%	0.37	42%	0.42	S	S	.	.			trans	-67.9	149.9	-178.2	26.8	-35.5	0	0	0	112.4	L936 M939 L947 L950	L936-P945 HydrophobicContact CD2-CG 4.4Å; M939-P945 VanDerWaalsContact SD-CD 3.57Å; P945-L947 VanDerWaalsContact C-N 3.25Å; P945-L947 HydrophobicContact CB-CG 4.43Å; P945-L947 HydrophobicContact CG-CD1 4.21Å; P945-L947 HydrophobicContact CG-CG 4.18Å; P945-L947 PolarHBondContact O-N 2.92Å; P945-L950 VanDerWaalsContact O-CD1 3.28Å; P945-L950 WeakPolarHBondContact O-CD1 2.96Å
946	D	56.7	Low	74.5	Confident	153 Å²	153	87.7 Å²	87.7	82%	0.818	43%	0.433	S	S	*	.			trans	-71.9	69.8	179.4	-88.8	-28.6	0	0	0	112.8
947	L	68	Low	74.5	Confident	56 Å²	56	92.4 Å²	92.4	29%	0.293	45%	0.451	S	S	.	.			trans	-83.9	135.6	174.8	-53.9	174.1	0	0	0	110.5	L936 P945 Y949 L950	L936-L947 HydrophobicContact CD1-CD1 4.27Å; P945-L947 VanDerWaalsContact C-N 3.25Å; P945-L947 HydrophobicContact CB-CG 4.43Å; P945-L947 HydrophobicContact CG-CD1 4.21Å; P945-L947 HydrophobicContact CG-CG 4.18Å; P945-L947 PolarHBondContact O-N 2.92Å; L947-Y949 HydrophobicContact CB-CD1 4.12Å; L947-Y949 HydrophobicContact CB-CE1 3.75Å; L947-Y949 HydrophobicContact CD1-CE1 3.92Å; L947-Y949 HydrophobicContact CD1-CE2 4.5Å; L947-Y949 WeakPolarHBondContact CD1-OH 3.27Å; L947-Y949 HydrophobicContact CG-CE1 4.41Å; L947-Y949 PolarHBondContact O-N 3.47Å; L947-L950 HydrophobicContact CB-CD1 3.88Å; L947-L950 HydrophobicContact CB-CG 4.31Å; L947-L950 HydrophobicContact CD1-CD1 4.3Å; L947-L950 HydrophobicContact CG-CD1 4.24Å; L947-L950 WeakPolarHBondContact O-CB 3.46Å; L947-L950 PolarHBondContact O-N 3.44Å
948	I	63.1	Low	74.6	Confident	58 Å²	58	88.9 Å²	88.9	30%	0.297	43%	0.432	S	S	.	.	H	α-helix	trans	-52.1	-37.8	-172	-62.6	168	0	0	0	113.1	R951 H952	I948-R951 PolarHBondContact O-N 3.34Å; I948-H952 PolarHBondContact O-ND1 2.95Å
949	Y	69.8	Low	74.7	Confident	11 Å²	11	83.7 Å²	83.7	4%	0.043	40%	0.404	C	S	.	.	H	α-helix	trans	-72.4	-24.3	-179.8	60.5	-99.8	0	0	0	113.7	R933 L936 L947 R951 H952 V953 I958 L1010	R933-Y949 HydrophobicContact CG-CE2 4.2Å; R933-Y949 VanDerWaalsContact CG-OH 3.28Å; R933-Y949 WeakPolarHBondContact CG-OH 3.43Å; L936-Y949 HydrophobicContact CD1-CE2 4.19Å; L947-Y949 HydrophobicContact CB-CD1 4.12Å; L947-Y949 HydrophobicContact CB-CE1 3.75Å; L947-Y949 HydrophobicContact CD1-CE1 3.92Å; L947-Y949 HydrophobicContact CD1-CE2 4.5Å; L947-Y949 WeakPolarHBondContact CD1-OH 3.27Å; L947-Y949 HydrophobicContact CG-CE1 4.41Å; L947-Y949 PolarHBondContact O-N 3.47Å; Y949-R951 VanDerWaalsContact C-N 3.29Å; Y949-R951 PolarHBondContact O-N 3.15Å; Y949-H952 PolarHBondContact O-N 2.81Å; Y949-V953 WeakPolarHBondContact O-CB 3.37Å; Y949-V953 PolarHBondContact O-N 2.93Å; Y949-I958 HydrophobicContact CD2-CD1 3.88Å; Y949-I958 HydrophobicContact CE2-CD1 4.24Å; Y949-I958 HydrophobicContact CE2-CG2 4.42Å; Y949-L1010 HydrophobicContact CD2-CD2 4.26Å
950	L	67.9	Low	75	Confident	40 Å²	40	84 Å²	84	21%	0.209	41%	0.407	C	S	.	.	H	α-helix	trans	-71.1	-25.7	176	-69.8	166.7	0	0	0	112.9	L936 Q944 P945 L947 H952 I958	L936-L950 HydrophobicContact CD1-CD1 4.12Å; L936-L950 HydrophobicContact CD1-CD2 4.29Å; Q944-L950 HydrophobicContact CG-CD1 3.71Å; Q944-L950 VanDerWaalsContact NE2-CD1 3.28Å; P945-L950 VanDerWaalsContact O-CD1 3.28Å; P945-L950 WeakPolarHBondContact O-CD1 2.96Å; L947-L950 HydrophobicContact CB-CD1 3.88Å; L947-L950 HydrophobicContact CB-CG 4.31Å; L947-L950 HydrophobicContact CD1-CD1 4.3Å; L947-L950 HydrophobicContact CG-CD1 4.24Å; L947-L950 WeakPolarHBondContact O-CB 3.46Å; L947-L950 PolarHBondContact O-N 3.44Å; L950-H952 VanDerWaalsContact C-N 3.34Å; L950-I958 HydrophobicContact CD2-CD1 3.5Å; L950-I958 HydrophobicContact CG-CD1 4.41Å
951	R	66.9	Low	75.4	Confident	221 Å²	221	80.2 Å²	80.2	83%	0.834	38%	0.382	S	S	*	.	H	α-helix	trans	-73.8	-26.4	175.8	-164.4	175.1	-168.8	164.6	4.9	113	I948 Y949	I948-R951 PolarHBondContact O-N 3.34Å; Y949-R951 VanDerWaalsContact C-N 3.29Å; Y949-R951 PolarHBondContact O-N 3.15Å
952	H	68.2	Low	76.2	Confident	81 Å²	81	77 Å²	77	38%	0.375	36%	0.355	S	S	.	.	H	α-helix	trans	-108.8	-27.9	-172.4	-62.5	88	0	0	0	113.6	I948 Y949 L950 Y1009	I948-H952 PolarHBondContact O-ND1 2.95Å; Y949-H952 PolarHBondContact O-N 2.81Å; L950-H952 VanDerWaalsContact C-N 3.34Å; H952-Y1009 HydrophobicContact CB-CD1 4.15Å; H952-Y1009 HydrophobicContact CB-CD2 3.98Å; H952-Y1009 HydrophobicContact CB-CE1 4.13Å; H952-Y1009 HydrophobicContact CB-CE2 4.01Å; H952-Y1009 HydrophobicContact CB-CG 4.07Å; H952-Y1009 AromaticContact CD2-CE1 3.96Å; H952-Y1009 AromaticContact CD2-CZ 3.68Å; H952-Y1009 AromaticContact CG-CE1 3.74Å; H952-Y1009 AromaticContact CG-CZ 3.78Å; H952-Y1009 AromaticContact ND1-CE1 3.88Å
953	V	77.1	Confident	76.9	Confident	2 Å²	2	74 Å²	74	1%	0.012	34%	0.342	C	S	.	.	S	Bend	trans	-118.1	127.5	-176.1	-173.6	0	0	0	0	110.5	Y949 Q955 R957 I958 D1006 Y1009 L1010	Y949-V953 WeakPolarHBondContact O-CB 3.37Å; Y949-V953 PolarHBondContact O-N 2.93Å; V953-Q955 PolarHBondContact O-N 2.78Å; V953-R957 HydrophobicContact CG1-CB 4.03Å; V953-I958 HydrophobicContact CB-CD1 4.27Å; V953-I958 HydrophobicContact CB-CG1 4.21Å; V953-I958 HydrophobicContact CG1-CD1 4.45Å; V953-I958 HydrophobicContact CG1-CG1 3.88Å; V953-I958 WeakPolarHBondContact O-CD1 3.34Å; V953-D1006 HydrophobicContact CG1-CB 4.26Å; V953-D1006 HydrophobicContact CG2-CB 4.4Å; V953-Y1009 HydrophobicContact CG2-CD2 4.48Å; V953-Y1009 HydrophobicContact CG2-CG 4.47Å; V953-L1010 HydrophobicContact CG1-CD1 4.3Å
954	P	81	Confident	77.7	Confident	75 Å²	75	71 Å²	71	49%	0.487	33%	0.329	S	S	.	.			trans	-66.7	136.6	-178.3	26.5	-34.7	0	0	0	111.9	R956 R957	P954-R956 PolarHBondContact O-N 2.61Å; P954-R957 HydrophobicContact CG-CB 4.38Å; P954-R957 HydrophobicContact CG-CG 4.07Å; P954-R957 WeakPolarHBondContact O-CB 3.15Å; P954-R957 PolarHBondContact O-N 3.07Å
955	Q	78.6	Confident	78.7	Confident	69 Å²	69	69.3 Å²	69.3	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-49.3	-36.6	-172.4	-159.5	-169.8	13.1	0	0	114.5	Q944 V953 R957 I958 H959	Q944-Q955 VanDerWaalsContact OE1-NE2 3.15Å; V953-Q955 PolarHBondContact O-N 2.78Å; Q955-R957 VanDerWaalsContact C-N 3.3Å; Q955-R957 PolarHBondContact O-N 2.91Å; Q955-I958 PolarHBondContact O-N 3.12Å; Q955-H959 PolarHBondContact NE2-NE2 3.24Å; Q955-H959 PolarHBondContact O-N 3.35Å
956	R	84.4	Confident	79.7	Confident	226 Å²	226	69.2 Å²	69.2	85%	0.853	32%	0.319	S	S	*	.	H	α-helix	trans	-60.5	-34	176.4	-70.1	-174	178.9	-178.1	0.1	113.7	P954 L960	P954-R956 PolarHBondContact O-N 2.61Å; R956-L960 WeakPolarHBondContact O-CB 3.49Å; R956-L960 PolarHBondContact O-N 3.38Å
957	R	85.6	Confident	81.3	Confident	103 Å²	103	66.3 Å²	66.3	39%	0.389	30%	0.304	S	S	.	.	H	α-helix	trans	-74.6	-37.1	177	-71.8	-170	176.2	-139.2	-9	111.2	V953 P954 Q955 L960 F961 F1002 D1006	V953-R957 HydrophobicContact CG1-CB 4.03Å; P954-R957 HydrophobicContact CG-CB 4.38Å; P954-R957 HydrophobicContact CG-CG 4.07Å; P954-R957 WeakPolarHBondContact O-CB 3.15Å; P954-R957 PolarHBondContact O-N 3.07Å; Q955-R957 VanDerWaalsContact C-N 3.3Å; Q955-R957 PolarHBondContact O-N 2.91Å; R957-L960 PolarHBondContact O-N 3.24Å; R957-F961 WeakPolarHBondContact O-CB 3.23Å; R957-F961 PolarHBondContact O-N 3.48Å; R957-F1002 HydrophobicContact CB-CD1 4.48Å; R957-F1002 HydrophobicContact CB-CE1 4.05Å; R957-F1002 WeakPolarHBondContact O-CE1 3.39Å; R957-D1006 WeakPolarHBondContact CD-OD2 3.49Å; R957-D1006 IonicContact CZ-OD2 3.11Å; R957-D1006 IonicContact NE-OD2 2.58Å; R957-D1006 IonicContact NH1-OD2 3.78Å; R957-D1006 PolarHBondContact NH1-OD2 3.17Å
958	I	85.9	Confident	82.3	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-42.4	174.1	-54.1	173.1	0	0	0	110.5	R933 Y949 L950 V953 Q955 F961 T962 L1010	R933-I958 HydrophobicContact CG-CG2 4.5Å; Y949-I958 HydrophobicContact CD2-CD1 3.88Å; Y949-I958 HydrophobicContact CE2-CD1 4.24Å; Y949-I958 HydrophobicContact CE2-CG2 4.42Å; L950-I958 HydrophobicContact CD2-CD1 3.5Å; L950-I958 HydrophobicContact CG-CD1 4.41Å; V953-I958 HydrophobicContact CB-CD1 4.27Å; V953-I958 HydrophobicContact CB-CG1 4.21Å; V953-I958 HydrophobicContact CG1-CD1 4.45Å; V953-I958 HydrophobicContact CG1-CG1 3.88Å; V953-I958 WeakPolarHBondContact O-CD1 3.34Å; Q955-I958 PolarHBondContact O-N 3.12Å; I958-F961 PolarHBondContact O-N 3.45Å; I958-T962 WeakPolarHBondContact O-CG2 3.2Å; I958-T962 PolarHBondContact O-N 3.16Å; I958-T962 PolarHBondContact O-OG1 3.46Å; I958-L1010 HydrophobicContact CG1-CD2 4.23Å
959	H	88.5	Confident	83.5	Confident	48 Å²	48	62.7 Å²	62.7	22%	0.222	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-35.8	174.7	-68.9	-22	0	0	0	112.8	L936 L937 Q955 T962 F963	L936-H959 PolarHBondContact O-CE1 2.98Å; L937-H959 HydrophobicContact CD2-CB 4.02Å; L937-H959 VanDerWaalsContact CD2-ND1 3.33Å; L937-H959 WeakPolarHBondContact CD2-ND1 3.44Å; Q955-H959 PolarHBondContact NE2-NE2 3.24Å; Q955-H959 PolarHBondContact O-N 3.35Å; H959-T962 WeakPolarHBondContact CA-OG1 3.48Å; H959-T962 PolarHBondContact O-OG1 2.86Å; H959-F963 VanDerWaalsContact O-CB 3.24Å; H959-F963 WeakPolarHBondContact O-CB 3.49Å; H959-F963 PolarHBondContact O-N 3.43Å
960	L	89.5	Confident	84.4	Confident	80 Å²	80	64.2 Å²	64.2	42%	0.419	30%	0.301	S	S	.	.	H	α-helix	trans	-67.6	-43.7	172.9	-178.7	62.9	0	0	0	112	R956 R957 F963 I964 V1001 F1002	R956-L960 WeakPolarHBondContact O-CB 3.49Å; R956-L960 PolarHBondContact O-N 3.38Å; R957-L960 PolarHBondContact O-N 3.24Å; L960-F963 PolarHBondContact O-N 3.23Å; L960-I964 HydrophobicContact CD1-CD1 4.45Å; L960-I964 HydrophobicContact CG-CD1 4.24Å; L960-I964 WeakPolarHBondContact O-CG1 3.2Å; L960-I964 PolarHBondContact O-N 3.18Å; L960-V1001 HydrophobicContact CD2-CG1 4.34Å; L960-F1002 HydrophobicContact CB-CZ 4.21Å; L960-F1002 HydrophobicContact CD2-CZ 3.93Å; L960-F1002 HydrophobicContact CG-CZ 3.94Å
961	F	89.8	Confident	85.3	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.7	-49.9	178	179.5	-76.6	0	0	0	111.3	F591 R957 I958 F963 I964 Q965 M998 F1002 L1007 L1010 D1011	F591-F961 HydrophobicContact CB-CZ 4.37Å; F591-F961 AromaticContact CD2-CE1 3.8Å; F591-F961 HydrophobicContact CD2-CE1 3.8Å; F591-F961 HydrophobicContact CD2-CE2 4.32Å; F591-F961 AromaticContact CD2-CZ 3.54Å; F591-F961 HydrophobicContact CD2-CZ 3.54Å; F591-F961 HydrophobicContact CE2-CE1 4.3Å; F591-F961 HydrophobicContact CE2-CZ 4.27Å; F591-F961 HydrophobicContact CG-CZ 4.39Å; R957-F961 WeakPolarHBondContact O-CB 3.23Å; R957-F961 PolarHBondContact O-N 3.48Å; I958-F961 PolarHBondContact O-N 3.45Å; F961-F963 VanDerWaalsContact C-N 3.34Å; F961-F963 PolarHBondContact O-N 3.24Å; F961-I964 PolarHBondContact O-N 3.26Å; F961-Q965 PolarHBondContact O-N 3.13Å; F961-M998 HydrophobicContact CD2-CE 3.8Å; F961-M998 HydrophobicContact CD2-SD 3.78Å; F961-M998 HydrophobicContact CE2-CE 3.33Å; F961-M998 HydrophobicContact CE2-SD 3.97Å; F961-M998 HydrophobicContact CZ-CE 4.03Å; F961-F1002 HydrophobicContact CB-CE1 4.19Å; F961-F1002 HydrophobicContact CB-CZ 3.95Å; F961-L1007 HydrophobicContact CD2-CD2 4.45Å; F961-L1007 HydrophobicContact CE2-CD2 4.2Å; F961-L1010 HydrophobicContact CB-CD1 4.28Å; F961-L1010 HydrophobicContact CD2-CB 4.38Å; F961-L1010 HydrophobicContact CD2-CD1 3.85Å; F961-L1010 HydrophobicContact CE2-CB 4.06Å; F961-L1010 HydrophobicContact CE2-CD1 4.37Å; F961-L1010 HydrophobicContact CG-CD1 4.08Å; F961-L1010 HydrophobicContact CZ-CB 4.31Å; F961-D1011 WeakPolarHBondContact CZ-OD1 3.36Å
962	T	90.4	Very high	86.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-39	177.6	46.9	0	0	0	0	112.1	R933 I958 H959 I964 Q965 V966	R933-T962 HydrophobicContact CB-CG2 3.47Å; R933-T962 VanDerWaalsContact CB-CG2 3.47Å; R933-T962 HydrophobicContact CG-CG2 4.39Å; I958-T962 WeakPolarHBondContact O-CG2 3.2Å; I958-T962 PolarHBondContact O-N 3.16Å; I958-T962 PolarHBondContact O-OG1 3.46Å; H959-T962 WeakPolarHBondContact CA-OG1 3.48Å; H959-T962 PolarHBondContact O-OG1 2.86Å; T962-I964 PolarHBondContact O-N 3.38Å; T962-Q965 WeakPolarHBondContact O-CB 3.45Å; T962-Q965 PolarHBondContact O-N 2.88Å; T962-Q965 VanDerWaalsContact O-N 3.16Å; T962-V966 WeakPolarHBondContact O-CG2 3.44Å; T962-V966 PolarHBondContact O-N 2.96Å
963	F	91.4	Very high	86.9	Confident	131 Å²	131	56.4 Å²	56.4	58%	0.575	27%	0.273	S	S	*	.	H	α-helix	trans	-60	-43.4	174.4	-179.7	-97.7	0	0	0	112.2	H959 L960 F961 Q965 V966 L967	H959-F963 VanDerWaalsContact O-CB 3.24Å; H959-F963 WeakPolarHBondContact O-CB 3.49Å; H959-F963 PolarHBondContact O-N 3.43Å; L960-F963 PolarHBondContact O-N 3.23Å; F961-F963 VanDerWaalsContact C-N 3.34Å; F961-F963 PolarHBondContact O-N 3.24Å; F963-Q965 VanDerWaalsContact C-N 3.34Å; F963-Q965 PolarHBondContact O-N 3.03Å; F963-V966 PolarHBondContact O-N 3.44Å; F963-L967 WeakPolarHBondContact O-CB 3.4Å; F963-L967 PolarHBondContact O-N 2.97Å
964	I	90.2	Very high	87.4	Confident	38 Å²	38	61.2 Å²	61.2	20%	0.195	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-43.2	173.5	-66.8	163.1	0	0	0	110.5	L960 F961 T962 L967 C968 M998 F1002	L960-I964 HydrophobicContact CD1-CD1 4.45Å; L960-I964 HydrophobicContact CG-CD1 4.24Å; L960-I964 WeakPolarHBondContact O-CG1 3.2Å; L960-I964 PolarHBondContact O-N 3.18Å; F961-I964 PolarHBondContact O-N 3.26Å; T962-I964 PolarHBondContact O-N 3.38Å; I964-L967 PolarHBondContact O-N 3.3Å; I964-C968 WeakPolarHBondContact O-CB 3.47Å; I964-C968 PolarHBondContact O-N 3.49Å; I964-C968 PolarHBondContact O-SG 2.88Å; I964-C968 VanDerWaalsContact O-SG 3.32Å; I964-M998 HydrophobicContact CD1-SD 4.44Å; I964-F1002 HydrophobicContact CD1-CE2 4.01Å; I964-F1002 HydrophobicContact CD1-CZ 4.41Å
965	Q	89.9	Confident	87.3	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.019	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-43.9	178	-159.4	170.1	3	0	0	112.5	F591 F930 F961 T962 F963 C968 L969	F591-Q965 HydrophobicContact CD2-CB 4.34Å; F591-Q965 HydrophobicContact CD2-CG 3.97Å; F591-Q965 HydrophobicContact CE2-CB 3.61Å; F591-Q965 HydrophobicContact CE2-CG 3.58Å; F591-Q965 HydrophobicContact CZ-CB 4.3Å; F591-Q965 HydrophobicContact CZ-CG 4.2Å; F591-Q965 PolarHBondContact O-NE2 3.47Å; F930-Q965 HydrophobicContact CD2-CB 4.23Å; F930-Q965 HydrophobicContact CD2-CG 3.83Å; F930-Q965 VanDerWaalsContact CD2-OE1 3.28Å; F930-Q965 HydrophobicContact CE2-CB 4.02Å; F930-Q965 HydrophobicContact CE2-CG 3.89Å; F961-Q965 PolarHBondContact O-N 3.13Å; T962-Q965 WeakPolarHBondContact O-CB 3.45Å; T962-Q965 PolarHBondContact O-N 2.88Å; T962-Q965 VanDerWaalsContact O-N 3.16Å; F963-Q965 VanDerWaalsContact C-N 3.34Å; F963-Q965 PolarHBondContact O-N 3.03Å; Q965-C968 PolarHBondContact O-N 3.35Å; Q965-L969 WeakPolarHBondContact O-CB 3.28Å; Q965-L969 PolarHBondContact O-N 3.32Å
966	V	91.1	Very high	87.2	Confident	55 Å²	55	59.8 Å²	59.8	33%	0.333	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-43.9	175.3	171.7	0	0	0	0	111	F930 L934 T962 F963 C968 L969 A970	F930-V966 HydrophobicContact CE2-CG2 3.82Å; F930-V966 HydrophobicContact CZ-CG2 3.82Å; L934-V966 HydrophobicContact CD1-CG2 4.21Å; T962-V966 WeakPolarHBondContact O-CG2 3.44Å; T962-V966 PolarHBondContact O-N 2.96Å; F963-V966 PolarHBondContact O-N 3.44Å; V966-C968 PolarHBondContact O-N 3.09Å; V966-L969 PolarHBondContact O-N 2.96Å; V966-A970 WeakPolarHBondContact O-CB 3.24Å; V966-A970 PolarHBondContact O-N 3.48Å
967	L	90.9	Very high	86.8	Confident	93 Å²	93	53.3 Å²	53.3	49%	0.487	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-44.8	177.7	-179.5	65	0	0	0	111.6	F963 I964 A970 L971	F963-L967 WeakPolarHBondContact O-CB 3.4Å; F963-L967 PolarHBondContact O-N 2.97Å; I964-L967 PolarHBondContact O-N 3.3Å; L967-A970 PolarHBondContact O-N 2.93Å; L967-L971 PolarHBondContact O-N 2.98Å
968	C	88.4	Confident	86.6	Confident	17 Å²	17	51.5 Å²	51.5	12%	0.115	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-47	173.6	-72.9	0	0	0	0	111.7	I964 Q965 V966 A970 L971 L972 L991	I964-C968 WeakPolarHBondContact O-CB 3.47Å; I964-C968 PolarHBondContact O-N 3.49Å; I964-C968 PolarHBondContact O-SG 2.88Å; I964-C968 VanDerWaalsContact O-SG 3.32Å; Q965-C968 PolarHBondContact O-N 3.35Å; V966-C968 PolarHBondContact O-N 3.09Å; C968-A970 VanDerWaalsContact C-N 3.34Å; C968-A970 PolarHBondContact O-N 3.43Å; C968-L971 WeakPolarHBondContact O-CB 3.4Å; C968-L971 PolarHBondContact O-N 3.42Å; C968-L972 WeakPolarHBondContact O-CG 3.3Å; C968-L972 PolarHBondContact O-N 3.31Å; C968-L991 HydrophobicContact CB-CD2 3.82Å
969	L	87.6	Confident	85.8	Confident	20 Å²	20	57.1 Å²	57.1	11%	0.105	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-38.1	179.4	-169.6	149.3	0	0	0	112	A598 L599 F602 F930 Q965 V966 L972 W973	A598-L969 HydrophobicContact CB-CD1 3.97Å; L599-L969 HydrophobicContact CB-CD1 4.23Å; L599-L969 HydrophobicContact CB-CG 4.38Å; L599-L969 HydrophobicContact CD1-CD2 4.42Å; L599-L969 HydrophobicContact CD1-CG 4.32Å; F602-L969 HydrophobicContact CD2-CD1 4.22Å; F602-L969 HydrophobicContact CD2-CD2 3.88Å; F602-L969 HydrophobicContact CE2-CD1 4.08Å; F602-L969 HydrophobicContact CE2-CD2 3.95Å; F930-L969 HydrophobicContact CE1-CD1 4.2Å; F930-L969 HydrophobicContact CZ-CD1 4.44Å; Q965-L969 WeakPolarHBondContact O-CB 3.28Å; Q965-L969 PolarHBondContact O-N 3.32Å; V966-L969 PolarHBondContact O-N 2.96Å; L969-L972 PolarHBondContact O-N 2.74Å; L969-W973 WeakPolarHBondContact O-CB 3.47Å; L969-W973 PolarHBondContact O-N 2.99Å
970	A	89.2	Confident	84.9	Confident	43 Å²	43	56.6 Å²	56.6	36%	0.355	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-41.3	173.9	0	0	0	0	0	112.3	V966 L967 C968 W973 I974	V966-A970 WeakPolarHBondContact O-CB 3.24Å; V966-A970 PolarHBondContact O-N 3.48Å; L967-A970 PolarHBondContact O-N 2.93Å; C968-A970 VanDerWaalsContact C-N 3.34Å; C968-A970 PolarHBondContact O-N 3.43Å; A970-W973 WeakPolarHBondContact O-CB 3.3Å; A970-W973 PolarHBondContact O-N 3Å; A970-I974 VanDerWaalsContact O-CG1 3.31Å; A970-I974 WeakPolarHBondContact O-CG1 3.15Å; A970-I974 PolarHBondContact O-N 2.95Å
971	L	86.5	Confident	83.8	Confident	95 Å²	95	53.6 Å²	53.6	50%	0.497	30%	0.3	S	S	.	.	H	α-helix	trans	-59.9	-47	172.8	-92.1	158.9	0	0	0	111.9	L967 C968 W973 I974 L975	L967-L971 PolarHBondContact O-N 2.98Å; C968-L971 WeakPolarHBondContact O-CB 3.4Å; C968-L971 PolarHBondContact O-N 3.42Å; L971-W973 VanDerWaalsContact C-N 3.31Å; L971-W973 PolarHBondContact O-N 2.97Å; L971-I974 PolarHBondContact O-N 3.24Å; L971-L975 WeakPolarHBondContact O-CB 3.35Å; L971-L975 WeakPolarHBondContact O-CG 3.36Å; L971-L975 PolarHBondContact O-N 2.97Å
972	L	83.7	Confident	82.9	Confident	11 Å²	11	56.8 Å²	56.8	6%	0.058	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-42.5	175	-62.4	169.2	0	0	0	111.5	L599 C968 L969 K976 M987 L991	L599-L972 HydrophobicContact CD2-CB 3.79Å; L599-L972 HydrophobicContact CD2-CD1 3.69Å; L599-L972 HydrophobicContact CD2-CG 4.35Å; C968-L972 WeakPolarHBondContact O-CG 3.3Å; C968-L972 PolarHBondContact O-N 3.31Å; L969-L972 PolarHBondContact O-N 2.74Å; L972-K976 WeakPolarHBondContact O-CB 3.4Å; L972-K976 PolarHBondContact O-N 3.45Å; L972-M987 HydrophobicContact CB-CE 4.42Å; L972-M987 HydrophobicContact CD2-CB 3.89Å; L972-M987 HydrophobicContact CD2-CE 3.64Å; L972-L991 HydrophobicContact CD1-CD1 3.61Å; L972-L991 HydrophobicContact CD1-CD2 3.98Å; L972-L991 HydrophobicContact CD1-CG 4.24Å; L972-L991 HydrophobicContact CD2-CD1 4.38Å; L972-L991 HydrophobicContact CD2-CD2 4.42Å; L972-L991 HydrophobicContact CD2-CG 4.45Å; L972-L991 HydrophobicContact CG-CD2 4.38Å
973	W	85.6	Confident	82.2	Confident	73 Å²	73	61.1 Å²	61.1	28%	0.277	34%	0.338	S	S	.	.	H	α-helix	trans	-63.1	-48.3	179.4	-176	-92.7	0	0	0	112.8	L599 F602 I603 Y606 L969 A970 L971 K976 S977	L599-W973 HydrophobicContact CD1-CE3 3.94Å; F602-W973 HydrophobicContact CB-CZ3 3.98Å; I603-W973 HydrophobicContact CB-CZ3 4.4Å; I603-W973 HydrophobicContact CG1-CE3 4.22Å; I603-W973 HydrophobicContact CG1-CH2 4.44Å; I603-W973 HydrophobicContact CG1-CZ3 3.61Å; Y606-W973 AromaticContact CD1-CH2 3.95Å; Y606-W973 HydrophobicContact CD1-CH2 3.95Å; Y606-W973 AromaticContact CD1-CZ2 3.98Å; Y606-W973 HydrophobicContact CD1-CZ2 3.98Å; Y606-W973 HydrophobicContact CD2-CZ2 4.15Å; Y606-W973 HydrophobicContact CE1-CZ2 4.43Å; Y606-W973 AromaticContact CG-CH2 3.77Å; Y606-W973 HydrophobicContact CG-CH2 3.77Å; Y606-W973 AromaticContact CG-CZ2 3.8Å; Y606-W973 HydrophobicContact CG-CZ2 3.8Å; L969-W973 WeakPolarHBondContact O-CB 3.47Å; L969-W973 PolarHBondContact O-N 2.99Å; A970-W973 WeakPolarHBondContact O-CB 3.3Å; A970-W973 PolarHBondContact O-N 3Å; L971-W973 VanDerWaalsContact C-N 3.31Å; L971-W973 PolarHBondContact O-N 2.97Å; W973-K976 PolarHBondContact O-N 3.07Å; W973-S977 PolarHBondContact O-N 3.15Å
974	I	86.1	Confident	81.2	Confident	102 Å²	102	55.6 Å²	55.6	52%	0.523	31%	0.314	S	S	.	.	H	α-helix	trans	-58.6	-51.8	177.4	-69.3	164.3	0	0	0	109.5	A970 L971 K976 S977	A970-I974 VanDerWaalsContact O-CG1 3.31Å; A970-I974 WeakPolarHBondContact O-CG1 3.15Å; A970-I974 PolarHBondContact O-N 2.95Å; L971-I974 PolarHBondContact O-N 3.24Å; I974-K976 VanDerWaalsContact C-N 3.34Å; I974-K976 PolarHBondContact O-N 3.25Å; I974-S977 WeakPolarHBondContact O-CB 3.49Å; I974-S977 PolarHBondContact O-N 2.95Å; I974-S977 PolarHBondContact O-OG 3.23Å
975	L	79.4	Confident	80.3	Confident	63 Å²	63	54.1 Å²	54.1	33%	0.33	31%	0.307	S	S	.	.	H	α-helix	trans	-61.7	-40.5	-179.6	-73.9	164.4	0	0	0	112.3	L971 S977 T978 M987	L971-L975 WeakPolarHBondContact O-CB 3.35Å; L971-L975 WeakPolarHBondContact O-CG 3.36Å; L971-L975 PolarHBondContact O-N 2.97Å; L975-S977 PolarHBondContact O-N 3.38Å; L975-T978 PolarHBondContact O-N 3.15Å; L975-T978 PolarHBondContact O-OG1 3.37Å; L975-M987 HydrophobicContact CB-CE 3.41Å; L975-M987 VanDerWaalsContact CB-CE 3.41Å; L975-M987 HydrophobicContact CB-SD 3.88Å; L975-M987 HydrophobicContact CD1-CE 3.62Å; L975-M987 HydrophobicContact CD1-SD 3.96Å; L975-M987 HydrophobicContact CG-CE 4.15Å; L975-M987 HydrophobicContact CG-SD 4.45Å
976	K	77.2	Confident	79.7	Confident	51 Å²	51	57 Å²	57	22%	0.222	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-21.5	173.4	178.1	-96.1	175.9	173	0	113.7	I603 L972 W973 I974 T978 F984	I603-K976 HydrophobicContact CD1-CD 4.13Å; I603-K976 HydrophobicContact CD1-CG 4.35Å; I603-K976 HydrophobicContact CG1-CD 4.28Å; L972-K976 WeakPolarHBondContact O-CB 3.4Å; L972-K976 PolarHBondContact O-N 3.45Å; W973-K976 PolarHBondContact O-N 3.07Å; I974-K976 VanDerWaalsContact C-N 3.34Å; I974-K976 PolarHBondContact O-N 3.25Å; K976-T978 VanDerWaalsContact C-N 3.33Å; K976-F984 HydrophobicContact CB-CD2 4.43Å
977	S	76	Confident	79.1	Confident	91 Å²	91	55.5 Å²	55.5	64%	0.636	31%	0.314	S	S	*	.	H	α-helix	trans	-79.4	-14.9	174.2	79.5	0	0	0	0	113.7	W973 I974 L975	W973-S977 PolarHBondContact O-N 3.15Å; I974-S977 WeakPolarHBondContact O-CB 3.49Å; I974-S977 PolarHBondContact O-N 2.95Å; I974-S977 PolarHBondContact O-OG 3.23Å; L975-S977 PolarHBondContact O-N 3.38Å
978	T	80.8	Confident	78.3	Confident	64 Å²	64	51.1 Å²	51.1	39%	0.393	29%	0.291	S	S	.	.	S	Bend	trans	-98.6	172.1	-179	74	0	0	0	0	112.4	L975 K976 A980 A981	L975-T978 PolarHBondContact O-N 3.15Å; L975-T978 PolarHBondContact O-OG1 3.37Å; K976-T978 VanDerWaalsContact C-N 3.33Å; T978-A980 PolarHBondContact O-N 3.22Å; T978-A980 VanDerWaalsContact O-N 3.15Å; T978-A980 WeakPolarHBondContact OG1-CB 3.45Å; T978-A980 PolarHBondContact OG1-N 2.92Å; T978-A980 VanDerWaalsContact OG1-N 3.15Å; T978-A981 WeakPolarHBondContact O-CB 3.32Å; T978-A981 PolarHBondContact O-N 3.41Å; T978-A981 VanDerWaalsContact O-N 3.1Å
979	V	69.9	Low	77.8	Confident	121 Å²	121	53.6 Å²	53.6	73%	0.733	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-60.6	-20.3	171.7	-171.6	0	0	0	0	112.2	A981	V979-A981 PolarHBondContact O-N 2.82Å; V979-A981 VanDerWaalsContact O-N 3.11Å
980	A	68.9	Low	77.5	Confident	36 Å²	36	55.1 Å²	55.1	30%	0.298	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-69.5	-0.5	174.4	0	0	0	0	0	114.1	T978 I982 I983	T978-A980 PolarHBondContact O-N 3.22Å; T978-A980 VanDerWaalsContact O-N 3.15Å; T978-A980 WeakPolarHBondContact OG1-CB 3.45Å; T978-A980 PolarHBondContact OG1-N 2.92Å; T978-A980 VanDerWaalsContact OG1-N 3.15Å; A980-I982 PolarHBondContact O-N 2.98Å; A980-I983 WeakPolarHBondContact O-CB 3.3Å; A980-I983 PolarHBondContact O-N 3.11Å
981	A	67.4	Low	77.1	Confident	17 Å²	17	53.7 Å²	53.7	14%	0.14	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-53.4	-18.7	171.2	0	0	0	0	0	114.2	T978 V979 I983 F984	T978-A981 WeakPolarHBondContact O-CB 3.32Å; T978-A981 PolarHBondContact O-N 3.41Å; T978-A981 VanDerWaalsContact O-N 3.1Å; V979-A981 PolarHBondContact O-N 2.82Å; V979-A981 VanDerWaalsContact O-N 3.11Å; A981-I983 PolarHBondContact O-N 2.85Å; A981-F984 WeakPolarHBondContact O-CB 3.34Å; A981-F984 PolarHBondContact O-N 2.78Å
982	I	70.4	Confident	76.7	Confident	68 Å²	68	50.4 Å²	50.4	35%	0.349	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-59.8	-33.3	170.7	-61.2	171	0	0	0	111.9	L542 L798 A980 F984	L542-I982 HydrophobicContact CD1-CD1 4.38Å; L542-I982 HydrophobicContact CD1-CG1 3.68Å; L798-I982 HydrophobicContact CD1-CG2 3.72Å; A980-I982 PolarHBondContact O-N 2.98Å; I982-F984 VanDerWaalsContact C-N 3.27Å; I982-F984 PolarHBondContact O-N 2.72Å
983	I	75.4	Confident	76.7	Confident	90 Å²	90	52.9 Å²	52.9	46%	0.462	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-85.9	-1	-176.2	-53.6	174.5	0	0	0	111.4	A980 A981 P985 V986 M987	A980-I983 WeakPolarHBondContact O-CB 3.3Å; A980-I983 PolarHBondContact O-N 3.11Å; A981-I983 PolarHBondContact O-N 2.85Å; I983-P985 VanDerWaalsContact O-N 3.12Å; I983-V986 HydrophobicContact CG2-CB 3.96Å; I983-V986 HydrophobicContact CG2-CG2 4.42Å; I983-V986 WeakPolarHBondContact O-CB 3.05Å; I983-V986 PolarHBondContact O-N 3.43Å; I983-M987 PolarHBondContact O-N 2.87Å
984	F	71.3	Confident	76.7	Confident	15 Å²	15	52.2 Å²	52.2	7%	0.066	31%	0.314	C	S	.	.	H	α-helix	trans	-46.4	-42.2	-177	-177.9	-104.9	0	0	0	115.6	F596 L599 K976 A981 I982 V986 M987 I988	F596-F984 HydrophobicContact CE2-CE1 4.25Å; F596-F984 HydrophobicContact CE2-CZ 4.41Å; L599-F984 HydrophobicContact CD2-CE2 3.76Å; L599-F984 HydrophobicContact CD2-CZ 3.81Å; K976-F984 HydrophobicContact CB-CD2 4.43Å; A981-F984 WeakPolarHBondContact O-CB 3.34Å; A981-F984 PolarHBondContact O-N 2.78Å; I982-F984 VanDerWaalsContact C-N 3.27Å; I982-F984 PolarHBondContact O-N 2.72Å; F984-V986 VanDerWaalsContact C-N 3.35Å; F984-V986 PolarHBondContact O-N 2.96Å; F984-M987 HydrophobicContact CD2-CE 4.31Å; F984-M987 WeakPolarHBondContact O-CB 3.43Å; F984-M987 PolarHBondContact O-N 2.04Å; F984-I988 HydrophobicContact CD1-CD1 4.19Å; F984-I988 HydrophobicContact CE1-CD1 3.78Å; F984-I988 HydrophobicContact CZ-CD1 4.18Å; F984-I988 PolarHBondContact O-N 3.21Å
985	P	71.6	Confident	76.6	Confident	7 Å²	7	48.4 Å²	48.4	5%	0.045	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-38.2	177.6	-21	33.6	0	0	0	113.4	I801 L802 I983 M987 I988 L989	I801-P985 HydrophobicContact CB-CB 4.2Å; I801-P985 HydrophobicContact CG2-CB 3.62Å; L802-P985 HydrophobicContact CB-CB 4.32Å; L802-P985 HydrophobicContact CB-CG 3.67Å; L802-P985 HydrophobicContact CD1-CG 3.85Å; L802-P985 HydrophobicContact CG-CG 4.34Å; I983-P985 VanDerWaalsContact O-N 3.12Å; P985-M987 VanDerWaalsContact C-N 3.29Å; P985-M987 PolarHBondContact O-N 2.85Å; P985-I988 PolarHBondContact O-N 3.12Å; P985-L989 PolarHBondContact O-N 3.27Å
986	V	77.3	Confident	76.8	Confident	64 Å²	64	52 Å²	52	39%	0.388	31%	0.307	S	S	.	.	H	α-helix	trans	-68.9	-31.5	178.2	-177	0	0	0	0	110.7	I801 I983 F984 L989 A990	I801-V986 HydrophobicContact CD1-CG2 4.4Å; I983-V986 HydrophobicContact CG2-CB 3.96Å; I983-V986 HydrophobicContact CG2-CG2 4.42Å; I983-V986 WeakPolarHBondContact O-CB 3.05Å; I983-V986 PolarHBondContact O-N 3.43Å; F984-V986 VanDerWaalsContact C-N 3.35Å; F984-V986 PolarHBondContact O-N 2.96Å; V986-L989 WeakPolarHBondContact O-CB 3.03Å; V986-L989 PolarHBondContact O-N 3.24Å; V986-A990 PolarHBondContact O-N 3.2Å; V986-A990 VanDerWaalsContact O-N 3.12Å
987	M	76.8	Confident	77.1	Confident	25 Å²	25	52 Å²	52	12%	0.123	32%	0.316	C	S	.	.	H	α-helix	trans	-69.1	-31.2	174.8	-64.6	162.2	38.2	0	0	112.9	L972 L975 I983 F984 P985 L989 A990 L991	L972-M987 HydrophobicContact CB-CE 4.42Å; L972-M987 HydrophobicContact CD2-CB 3.89Å; L972-M987 HydrophobicContact CD2-CE 3.64Å; L975-M987 HydrophobicContact CB-CE 3.41Å; L975-M987 VanDerWaalsContact CB-CE 3.41Å; L975-M987 HydrophobicContact CB-SD 3.88Å; L975-M987 HydrophobicContact CD1-CE 3.62Å; L975-M987 HydrophobicContact CD1-SD 3.96Å; L975-M987 HydrophobicContact CG-CE 4.15Å; L975-M987 HydrophobicContact CG-SD 4.45Å; I983-M987 PolarHBondContact O-N 2.87Å; F984-M987 HydrophobicContact CD2-CE 4.31Å; F984-M987 WeakPolarHBondContact O-CB 3.43Å; F984-M987 PolarHBondContact O-N 2.04Å; P985-M987 VanDerWaalsContact C-N 3.29Å; P985-M987 PolarHBondContact O-N 2.85Å; M987-L989 VanDerWaalsContact C-N 3.35Å; M987-A990 WeakPolarHBondContact O-CB 3.35Å; M987-A990 PolarHBondContact O-N 3.41Å; M987-A990 VanDerWaalsContact O-N 3.16Å; M987-L991 PolarHBondContact O-N 2.85Å
988	I	75.7	Confident	77.5	Confident	1 Å²	1	48 Å²	48	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-67.8	-38.4	174.1	-58.7	166.4	0	0	0	110	F596 M805 I809 F984 P985 A990 L991	F596-I988 HydrophobicContact CD2-CD1 3.74Å; F596-I988 HydrophobicContact CD2-CG1 4.4Å; F596-I988 HydrophobicContact CE2-CD1 3.55Å; M805-I988 HydrophobicContact CE-CB 3.72Å; M805-I988 HydrophobicContact CE-CG2 3.36Å; I809-I988 HydrophobicContact CD1-CG2 4.43Å; F984-I988 HydrophobicContact CD1-CD1 4.19Å; F984-I988 HydrophobicContact CE1-CD1 3.78Å; F984-I988 HydrophobicContact CZ-CD1 4.18Å; F984-I988 PolarHBondContact O-N 3.21Å; P985-I988 PolarHBondContact O-N 3.12Å; I988-A990 PolarHBondContact O-N 3.28Å; I988-L991 HydrophobicContact CG2-CD1 4.33Å; I988-L991 VanDerWaalsContact O-CB 3.3Å; I988-L991 WeakPolarHBondContact O-CB 3.31Å; I988-L991 PolarHBondContact O-N 3.2Å
989	L	77.9	Confident	77.6	Confident	69 Å²	69	48.7 Å²	48.7	36%	0.361	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-33	170.4	-68.2	170.5	0	0	0	112.2	F588 I801 M805 P985 V986 M987 L991 V992 A993	F588-L989 HydrophobicContact CZ-CD2 4.37Å; I801-L989 HydrophobicContact CG2-CD1 4.22Å; M805-L989 HydrophobicContact CE-CD2 3.78Å; M805-L989 HydrophobicContact CE-CG 3.9Å; M805-L989 HydrophobicContact SD-CD2 3.65Å; M805-L989 HydrophobicContact SD-CG 3.99Å; P985-L989 PolarHBondContact O-N 3.27Å; V986-L989 WeakPolarHBondContact O-CB 3.03Å; V986-L989 PolarHBondContact O-N 3.24Å; M987-L989 VanDerWaalsContact C-N 3.35Å; L989-L991 VanDerWaalsContact C-N 3.27Å; L989-L991 PolarHBondContact O-N 3.33Å; L989-V992 WeakPolarHBondContact O-CB 3.5Å; L989-V992 PolarHBondContact O-N 2.91Å; L989-A993 PolarHBondContact O-N 3.1Å
990	A	81.3	Confident	78.3	Confident	51 Å²	51	53 Å²	53	42%	0.421	29%	0.293	S	S	.	.	H	α-helix	trans	-65.2	-27.5	173.1	0	0	0	0	0	113	V986 M987 I988 V992 A993 V994	V986-A990 PolarHBondContact O-N 3.2Å; V986-A990 VanDerWaalsContact O-N 3.12Å; M987-A990 WeakPolarHBondContact O-CB 3.35Å; M987-A990 PolarHBondContact O-N 3.41Å; M987-A990 VanDerWaalsContact O-N 3.16Å; I988-A990 PolarHBondContact O-N 3.28Å; A990-V992 VanDerWaalsContact C-N 3.31Å; A990-V992 PolarHBondContact O-N 3.29Å; A990-A993 WeakPolarHBondContact O-CB 3.27Å; A990-A993 PolarHBondContact O-N 3.31Å; A990-V994 WeakPolarHBondContact O-CG2 3.28Å; A990-V994 PolarHBondContact O-N 3.11Å
991	L	78.8	Confident	79	Confident	13 Å²	13	55.5 Å²	55.5	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-65.5	-34.2	172.5	-58.9	167.2	0	0	0	112.3	T592 C968 L972 M987 I988 L989 A993 V994 R995	T592-L991 HydrophobicContact CG2-CB 3.91Å; C968-L991 HydrophobicContact CB-CD2 3.82Å; L972-L991 HydrophobicContact CD1-CD1 3.61Å; L972-L991 HydrophobicContact CD1-CD2 3.98Å; L972-L991 HydrophobicContact CD1-CG 4.24Å; L972-L991 HydrophobicContact CD2-CD1 4.38Å; L972-L991 HydrophobicContact CD2-CD2 4.42Å; L972-L991 HydrophobicContact CD2-CG 4.45Å; L972-L991 HydrophobicContact CG-CD2 4.38Å; M987-L991 PolarHBondContact O-N 2.85Å; I988-L991 HydrophobicContact CG2-CD1 4.33Å; I988-L991 VanDerWaalsContact O-CB 3.3Å; I988-L991 WeakPolarHBondContact O-CB 3.31Å; I988-L991 PolarHBondContact O-N 3.2Å; L989-L991 VanDerWaalsContact C-N 3.27Å; L989-L991 PolarHBondContact O-N 3.33Å; L991-A993 VanDerWaalsContact C-N 3.31Å; L991-V994 PolarHBondContact O-N 3.39Å; L991-R995 WeakPolarHBondContact O-CB 3.42Å; L991-R995 PolarHBondContact O-N 3.33Å
992	V	78.9	Confident	79.8	Confident	27 Å²	27	55.2 Å²	55.2	16%	0.164	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-39.5	173.2	-178.5	0	0	0	0	110.1	Y587 F588 T592 L989 A990 R995 K996	Y587-V992 WeakPolarHBondContact O-CG1 3.44Å; F588-V992 HydrophobicContact CD1-CG2 3.75Å; F588-V992 HydrophobicContact CE1-CG2 3.54Å; T592-V992 HydrophobicContact CG2-CG2 4.06Å; L989-V992 WeakPolarHBondContact O-CB 3.5Å; L989-V992 PolarHBondContact O-N 2.91Å; A990-V992 VanDerWaalsContact C-N 3.31Å; A990-V992 PolarHBondContact O-N 3.29Å; V992-R995 PolarHBondContact O-N 3.41Å; V992-K996 PolarHBondContact O-N 3.19Å
993	A	83.6	Confident	80.2	Confident	63 Å²	63	54.1 Å²	54.1	52%	0.521	30%	0.298	S	S	.	.	H	α-helix	trans	-66.1	-41.4	173.9	0	0	0	0	0	112.3	L989 A990 L991 R995 K996 A997	L989-A993 PolarHBondContact O-N 3.1Å; A990-A993 WeakPolarHBondContact O-CB 3.27Å; A990-A993 PolarHBondContact O-N 3.31Å; L991-A993 VanDerWaalsContact C-N 3.31Å; A993-R995 VanDerWaalsContact C-N 3.33Å; A993-R995 PolarHBondContact O-N 3.14Å; A993-K996 PolarHBondContact O-N 2.86Å; A993-A997 PolarHBondContact O-N 3.49Å
994	V	85.5	Confident	80.2	Confident	58 Å²	58	57.8 Å²	57.8	35%	0.352	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-41.2	172.3	173.5	0	0	0	0	111	A990 L991 K996 A997 M998	A990-V994 WeakPolarHBondContact O-CG2 3.28Å; A990-V994 PolarHBondContact O-N 3.11Å; L991-V994 PolarHBondContact O-N 3.39Å; V994-K996 VanDerWaalsContact C-N 3.32Å; V994-K996 PolarHBondContact O-N 2.69Å; V994-A997 WeakPolarHBondContact O-CB 3.42Å; V994-A997 PolarHBondContact O-N 3.12Å; V994-A997 VanDerWaalsContact O-N 3.14Å; V994-M998 PolarHBondContact O-N 2.02Å
995	R	85.2	Confident	80.3	Confident	23 Å²	23	61.7 Å²	61.7	9%	0.087	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-42.2	175.4	176.3	56.5	-171.5	76.9	-3.6	111.7	T589 F591 L991 V992 A993 A997 M998 D999 D1011	T589-R995 HydrophobicContact CG2-CG 4.35Å; F591-R995 HydrophobicContact CD1-CB 4.07Å; F591-R995 HydrophobicContact CE1-CB 4.5Å; L991-R995 WeakPolarHBondContact O-CB 3.42Å; L991-R995 PolarHBondContact O-N 3.33Å; V992-R995 PolarHBondContact O-N 3.41Å; A993-R995 VanDerWaalsContact C-N 3.33Å; A993-R995 PolarHBondContact O-N 3.14Å; R995-A997 VanDerWaalsContact C-N 3.33Å; R995-M998 VanDerWaalsContact CD-CE 3.42Å; R995-M998 VanDerWaalsContact O-CB 3.28Å; R995-M998 WeakPolarHBondContact O-CB 3.1Å; R995-M998 PolarHBondContact O-N 2.83Å; R995-M998 VanDerWaalsContact O-N 3.16Å; R995-D999 IonicContact CZ-OD1 3.43Å; R995-D999 IonicContact NH1-OD1 2.8Å; R995-D999 PolarHBondContact NH1-OD1 3.47Å; R995-D999 IonicContact NH1-OD2 3.97Å; R995-D999 IonicContact NH2-OD1 3.21Å; R995-D1011 IonicContact CZ-OD2 2.67Å; R995-D1011 IonicContact NE-OD2 3.79Å; R995-D1011 PolarHBondContact NE-OD2 3.39Å; R995-D1011 IonicContact NH2-OD2 3.08Å; R995-D1011 PolarHBondContact NH2-OD2 3.42Å
996	K	82.7	Confident	80.6	Confident	139 Å²	139	62 Å²	62	60%	0.604	33%	0.333	S	S	*	.	H	α-helix	trans	-69.1	-30.1	175.6	-166.5	168.2	-174.5	170.3	0	112.9	V992 A993 V994 M998 D999	V992-K996 PolarHBondContact O-N 3.19Å; A993-K996 PolarHBondContact O-N 2.86Å; V994-K996 VanDerWaalsContact C-N 3.32Å; V994-K996 PolarHBondContact O-N 2.69Å; K996-M998 VanDerWaalsContact C-N 3.28Å; K996-D999 WeakPolarHBondContact O-CB 3.4Å; K996-D999 PolarHBondContact O-N 3.13Å
997	A	84.8	Confident	80.5	Confident	51 Å²	51	59.2 Å²	59.2	42%	0.421	32%	0.316	S	S	.	.	H	α-helix	trans	-70.2	-24.8	170.9	0	0	0	0	0	112.6	A993 V994 R995 D999 Y1000	A993-A997 PolarHBondContact O-N 3.49Å; V994-A997 WeakPolarHBondContact O-CB 3.42Å; V994-A997 PolarHBondContact O-N 3.12Å; V994-A997 VanDerWaalsContact O-N 3.14Å; R995-A997 VanDerWaalsContact C-N 3.33Å; A997-D999 PolarHBondContact O-N 2.82Å; A997-Y1000 WeakPolarHBondContact O-CB 3.42Å; A997-Y1000 WeakPolarHBondContact O-CD2 3.35Å; A997-Y1000 PolarHBondContact O-N 3.32Å
998	M	83.8	Confident	80.2	Confident	7 Å²	7	59.5 Å²	59.5	3%	0.034	32%	0.321	C	S	.	.	H	α-helix	trans	-68	-20.7	177.8	-164.7	158.3	53.9	0	0	113.1	F591 F961 I964 V994 R995 K996 Y1000 V1001 F1002 L1007	F591-M998 HydrophobicContact CD2-CE 4.06Å; F591-M998 HydrophobicContact CE2-CE 4.1Å; F591-M998 HydrophobicContact CG-CE 4.39Å; F961-M998 HydrophobicContact CD2-CE 3.8Å; F961-M998 HydrophobicContact CD2-SD 3.78Å; F961-M998 HydrophobicContact CE2-CE 3.33Å; F961-M998 HydrophobicContact CE2-SD 3.97Å; F961-M998 HydrophobicContact CZ-CE 4.03Å; I964-M998 HydrophobicContact CD1-SD 4.44Å; V994-M998 PolarHBondContact O-N 2.02Å; R995-M998 VanDerWaalsContact CD-CE 3.42Å; R995-M998 VanDerWaalsContact O-CB 3.28Å; R995-M998 WeakPolarHBondContact O-CB 3.1Å; R995-M998 PolarHBondContact O-N 2.83Å; R995-M998 VanDerWaalsContact O-N 3.16Å; K996-M998 VanDerWaalsContact C-N 3.28Å; M998-Y1000 PolarHBondContact O-N 3.14Å; M998-Y1000 VanDerWaalsContact O-N 3.17Å; M998-V1001 PolarHBondContact O-N 2.76Å; M998-F1002 HydrophobicContact CG-CD2 3.35Å; M998-F1002 HydrophobicContact CG-CE2 3.63Å; M998-F1002 HydrophobicContact CG-CG 4.43Å; M998-F1002 PolarHBondContact O-N 3.38Å; M998-F1002 VanDerWaalsContact O-N 3.13Å; M998-F1002 HydrophobicContact SD-CD2 4.05Å; M998-F1002 HydrophobicContact SD-CE2 3.8Å; M998-L1007 HydrophobicContact CE-CD2 4.15Å; M998-L1007 HydrophobicContact CG-CD2 4.28Å
999	D	82.4	Confident	80.1	Confident	78 Å²	78	62.3 Å²	62.3	42%	0.417	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.6	172.1	-60.6	-30.9	0	0	0	113	R995 K996 A997 L1007	R995-D999 IonicContact CZ-OD1 3.43Å; R995-D999 IonicContact NH1-OD1 2.8Å; R995-D999 PolarHBondContact NH1-OD1 3.47Å; R995-D999 IonicContact NH1-OD2 3.97Å; R995-D999 IonicContact NH2-OD1 3.21Å; K996-D999 WeakPolarHBondContact O-CB 3.4Å; K996-D999 PolarHBondContact O-N 3.13Å; A997-D999 PolarHBondContact O-N 2.82Å; D999-L1007 WeakPolarHBondContact OD1-CD1 2.97Å
1000	Y	85.1	Confident	79.9	Confident	212 Å²	212	59.2 Å²	59.2	83%	0.831	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-17.3	172.4	-65.2	-67.6	0	0	0	113.8	A997 M998	A997-Y1000 WeakPolarHBondContact O-CB 3.42Å; A997-Y1000 WeakPolarHBondContact O-CD2 3.35Å; A997-Y1000 PolarHBondContact O-N 3.32Å; M998-Y1000 PolarHBondContact O-N 3.14Å; M998-Y1000 VanDerWaalsContact O-N 3.17Å
1001	V	83.6	Confident	79.3	Confident	87 Å²	87	57 Å²	57	53%	0.527	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-32.6	-172.3	-179.4	0	0	0	0	111.9	L960 M998	L960-V1001 HydrophobicContact CD2-CG1 4.34Å; M998-V1001 PolarHBondContact O-N 2.76Å
1002	F	83.1	Confident	78.3	Confident	12 Å²	12	59.1 Å²	59.1	5%	0.053	31%	0.307	C	S	.	.	S	Bend	trans	-114.8	157.2	-177.7	-65.4	-97.7	0	0	0	111.5	R957 L960 F961 I964 M998 L1007	R957-F1002 HydrophobicContact CB-CD1 4.48Å; R957-F1002 HydrophobicContact CB-CE1 4.05Å; R957-F1002 WeakPolarHBondContact O-CE1 3.39Å; L960-F1002 HydrophobicContact CB-CZ 4.21Å; L960-F1002 HydrophobicContact CD2-CZ 3.93Å; L960-F1002 HydrophobicContact CG-CZ 3.94Å; F961-F1002 HydrophobicContact CB-CE1 4.19Å; F961-F1002 HydrophobicContact CB-CZ 3.95Å; I964-F1002 HydrophobicContact CD1-CE2 4.01Å; I964-F1002 HydrophobicContact CD1-CZ 4.41Å; M998-F1002 HydrophobicContact CG-CD2 3.35Å; M998-F1002 HydrophobicContact CG-CE2 3.63Å; M998-F1002 HydrophobicContact CG-CG 4.43Å; M998-F1002 PolarHBondContact O-N 3.38Å; M998-F1002 VanDerWaalsContact O-N 3.13Å; M998-F1002 HydrophobicContact SD-CD2 4.05Å; M998-F1002 HydrophobicContact SD-CE2 3.8Å; F1002-L1007 HydrophobicContact CB-CD1 3.91Å; F1002-L1007 HydrophobicContact CB-CD2 3.83Å; F1002-L1007 HydrophobicContact CB-CG 3.64Å; F1002-L1007 HydrophobicContact CD2-CD2 4.5Å; F1002-L1007 HydrophobicContact CG-CD2 4.2Å
1003	S	78.9	Confident	76.8	Confident	45 Å²	45	60.9 Å²	60.9	32%	0.315	32%	0.318	S	S	.	.			trans	-75.1	152.9	172.1	75.4	0	0	0	0	109.9	H1005 D1006 L1007	S1003-H1005 PolarHBondContact O-N 3.07Å; S1003-D1006 PolarHBondContact O-N 2.93Å; S1003-D1006 PolarHBondContact OG-N 3.13Å; S1003-D1006 PolarHBondContact OG-OD1 3.25Å; S1003-D1006 VanDerWaalsContact OG-OD1 3.05Å; S1003-D1006 PolarHBondContact OG-OD2 3.35Å; S1003-L1007 WeakPolarHBondContact O-CG 3.39Å; S1003-L1007 PolarHBondContact O-N 3.15Å
1004	Q	75.9	Confident	74.3	Confident	167 Å²	167	60.2 Å²	60.2	78%	0.78	31%	0.306	S	S	*	.	H	α-helix	trans	-59.2	-30.4	173	-72.1	-176.6	-26.8	0	0	112.3	S1008	Q1004-S1008 PolarHBondContact O-N 3.2Å
1005	H	73.1	Confident	71.7	Confident	97 Å²	97	62.7 Å²	62.7	45%	0.449	32%	0.323	S	S	.	.	H	α-helix	trans	-64.4	-51.2	173.2	177.8	-82.9	0	0	0	111.8	S1003 L1007 S1008 Y1009	S1003-H1005 PolarHBondContact O-N 3.07Å; H1005-L1007 VanDerWaalsContact C-N 3.26Å; H1005-L1007 PolarHBondContact O-N 3.35Å; H1005-S1008 PolarHBondContact O-N 2.8Å; H1005-S1008 PolarHBondContact O-OG 2.96Å; H1005-Y1009 AromaticContact CD2-CE2 3.97Å; H1005-Y1009 AromaticContact CE1-CD2 3.97Å; H1005-Y1009 AromaticContact CE1-CE2 3.55Å; H1005-Y1009 AromaticContact NE2-CE2 3.53Å; H1005-Y1009 VanDerWaalsContact O-CD2 3.23Å; H1005-Y1009 WeakPolarHBondContact O-CD2 3.29Å; H1005-Y1009 PolarHBondContact O-N 3.49Å
1006	D	77.7	Confident	68.8	Low	13 Å²	13	64.3 Å²	64.3	7%	0.07	34%	0.338	C	S	.	.	H	α-helix	trans	-63.8	-36.5	-179.6	-59.5	-6.4	0	0	0	111.4	V953 R957 S1003 L1010	V953-D1006 HydrophobicContact CG1-CB 4.26Å; V953-D1006 HydrophobicContact CG2-CB 4.4Å; R957-D1006 WeakPolarHBondContact CD-OD2 3.49Å; R957-D1006 IonicContact CZ-OD2 3.11Å; R957-D1006 IonicContact NE-OD2 2.58Å; R957-D1006 IonicContact NH1-OD2 3.78Å; R957-D1006 PolarHBondContact NH1-OD2 3.17Å; S1003-D1006 PolarHBondContact O-N 2.93Å; S1003-D1006 PolarHBondContact OG-N 3.13Å; S1003-D1006 PolarHBondContact OG-OD1 3.25Å; S1003-D1006 VanDerWaalsContact OG-OD1 3.05Å; S1003-D1006 PolarHBondContact OG-OD2 3.35Å; D1006-L1010 VanDerWaalsContact O-CG 3.29Å; D1006-L1010 WeakPolarHBondContact O-CG 3.46Å; D1006-L1010 PolarHBondContact O-N 3.4Å
1007	L	76.1	Confident	66.2	Low	5 Å²	5	63.7 Å²	63.7	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-70.1	-36.2	177.8	-70.7	171.4	0	0	0	112.5	F961 M998 D999 F1002 S1003 H1005 Y1009 L1010 D1011	F961-L1007 HydrophobicContact CD2-CD2 4.45Å; F961-L1007 HydrophobicContact CE2-CD2 4.2Å; M998-L1007 HydrophobicContact CE-CD2 4.15Å; M998-L1007 HydrophobicContact CG-CD2 4.28Å; D999-L1007 WeakPolarHBondContact OD1-CD1 2.97Å; F1002-L1007 HydrophobicContact CB-CD1 3.91Å; F1002-L1007 HydrophobicContact CB-CD2 3.83Å; F1002-L1007 HydrophobicContact CB-CG 3.64Å; F1002-L1007 HydrophobicContact CD2-CD2 4.5Å; F1002-L1007 HydrophobicContact CG-CD2 4.2Å; S1003-L1007 WeakPolarHBondContact O-CG 3.39Å; S1003-L1007 PolarHBondContact O-N 3.15Å; H1005-L1007 VanDerWaalsContact C-N 3.26Å; H1005-L1007 PolarHBondContact O-N 3.35Å; L1007-Y1009 VanDerWaalsContact C-N 3.34Å; L1007-Y1009 PolarHBondContact O-N 2.87Å; L1007-L1010 PolarHBondContact O-N 2.86Å; L1007-L1010 VanDerWaalsContact O-N 3.15Å; L1007-D1011 WeakPolarHBondContact O-CB 3.43Å; L1007-D1011 PolarHBondContact O-N 3.01Å
1008	S	70.4	Confident	63.4	Low	32 Å²	32	66.2 Å²	66.2	22%	0.224	35%	0.346	C	S	.	.	H	α-helix	trans	-63.7	-39.5	177	66.4	0	0	0	0	111.9	Q1004 H1005 L1010 D1012	Q1004-S1008 PolarHBondContact O-N 3.2Å; H1005-S1008 PolarHBondContact O-N 2.8Å; H1005-S1008 PolarHBondContact O-OG 2.96Å; S1008-L1010 VanDerWaalsContact C-N 3.3Å; S1008-L1010 PolarHBondContact O-N 3.01Å; S1008-D1012 WeakPolarHBondContact CA-OD2 2.98Å; S1008-D1012 WeakPolarHBondContact CB-OD2 3.46Å; S1008-D1012 VanDerWaalsContact O-CB 3.29Å; S1008-D1012 WeakPolarHBondContact O-CB 3.07Å; S1008-D1012 PolarHBondContact O-N 2.7Å; S1008-D1012 VanDerWaalsContact O-N 3.07Å
1009	Y	72.4	Confident	60.9	Low	60 Å²	60	69 Å²	69	24%	0.235	37%	0.367	C	S	.	.	H	α-helix	trans	-72.1	-17.7	174.9	-70.1	-76.6	0	0	0	114.8	H952 V953 H1005 L1007 I1014	H952-Y1009 HydrophobicContact CB-CD1 4.15Å; H952-Y1009 HydrophobicContact CB-CD2 3.98Å; H952-Y1009 HydrophobicContact CB-CE1 4.13Å; H952-Y1009 HydrophobicContact CB-CE2 4.01Å; H952-Y1009 HydrophobicContact CB-CG 4.07Å; H952-Y1009 AromaticContact CD2-CE1 3.96Å; H952-Y1009 AromaticContact CD2-CZ 3.68Å; H952-Y1009 AromaticContact CG-CE1 3.74Å; H952-Y1009 AromaticContact CG-CZ 3.78Å; H952-Y1009 AromaticContact ND1-CE1 3.88Å; V953-Y1009 HydrophobicContact CG2-CD2 4.48Å; V953-Y1009 HydrophobicContact CG2-CG 4.47Å; H1005-Y1009 AromaticContact CD2-CE2 3.97Å; H1005-Y1009 AromaticContact CE1-CD2 3.97Å; H1005-Y1009 AromaticContact CE1-CE2 3.55Å; H1005-Y1009 AromaticContact NE2-CE2 3.53Å; H1005-Y1009 VanDerWaalsContact O-CD2 3.23Å; H1005-Y1009 WeakPolarHBondContact O-CD2 3.29Å; H1005-Y1009 PolarHBondContact O-N 3.49Å; L1007-Y1009 VanDerWaalsContact C-N 3.34Å; L1007-Y1009 PolarHBondContact O-N 2.87Å; Y1009-I1014 HydrophobicContact CD1-CD1 4.27Å
1010	L	74.6	Confident	58.4	Low	3 Å²	3	68.7 Å²	68.7	2%	0.016	36%	0.363	C	S	.	.	H	α-helix	trans	-104.7	-22.1	-177.7	-68	174.4	0	0	0	114.5	R933 Y949 V953 I958 F961 D1006 L1007 S1008	R933-L1010 PolarHBondContact NH1-O 2.93Å; Y949-L1010 HydrophobicContact CD2-CD2 4.26Å; V953-L1010 HydrophobicContact CG1-CD1 4.3Å; I958-L1010 HydrophobicContact CG1-CD2 4.23Å; F961-L1010 HydrophobicContact CB-CD1 4.28Å; F961-L1010 HydrophobicContact CD2-CB 4.38Å; F961-L1010 HydrophobicContact CD2-CD1 3.85Å; F961-L1010 HydrophobicContact CE2-CB 4.06Å; F961-L1010 HydrophobicContact CE2-CD1 4.37Å; F961-L1010 HydrophobicContact CG-CD1 4.08Å; F961-L1010 HydrophobicContact CZ-CB 4.31Å; D1006-L1010 VanDerWaalsContact O-CG 3.29Å; D1006-L1010 WeakPolarHBondContact O-CG 3.46Å; D1006-L1010 PolarHBondContact O-N 3.4Å; L1007-L1010 PolarHBondContact O-N 2.86Å; L1007-L1010 VanDerWaalsContact O-N 3.15Å; S1008-L1010 VanDerWaalsContact C-N 3.3Å; S1008-L1010 PolarHBondContact O-N 3.01Å
1011	D	69.7	Low	55.9	Low	4 Å²	4	64.4 Å²	64.4	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-131.2	-29.5	-173.6	-73.3	-42.8	0	0	0	115.9	R590 F591 F961 R995 L1007	R590-D1011 VanDerWaalsContact CB-O 3.28Å; R590-D1011 WeakPolarHBondContact CB-O 3.36Å; F591-D1011 VanDerWaalsContact CB-OD1 3.29Å; F591-D1011 WeakPolarHBondContact CB-OD1 3.48Å; F591-D1011 PolarHBondContact N-OD1 2.87Å; F961-D1011 WeakPolarHBondContact CZ-OD1 3.36Å; R995-D1011 IonicContact CZ-OD2 2.67Å; R995-D1011 IonicContact NE-OD2 3.79Å; R995-D1011 PolarHBondContact NE-OD2 3.39Å; R995-D1011 IonicContact NH2-OD2 3.08Å; R995-D1011 PolarHBondContact NH2-OD2 3.42Å; L1007-D1011 WeakPolarHBondContact O-CB 3.43Å; L1007-D1011 PolarHBondContact O-N 3.01Å
1012	D	57.2	Low	53.1	Low	58 Å²	58	66.1 Å²	66.1	31%	0.31	36%	0.359	S	S	.	.	S	Bend	trans	-72.6	152.7	-179.6	-73.8	-23.8	0	0	0	110.6	H434 S1008 I1014	H434-D1012 IonicContact CE1-OD1 3.08Å; H434-D1012 PolarHBondContact CE1-OD1 3.34Å; H434-D1012 IonicContact CE1-OD2 3.56Å; S1008-D1012 WeakPolarHBondContact CA-OD2 2.98Å; S1008-D1012 WeakPolarHBondContact CB-OD2 3.46Å; S1008-D1012 VanDerWaalsContact O-CB 3.29Å; S1008-D1012 WeakPolarHBondContact O-CB 3.07Å; S1008-D1012 PolarHBondContact O-N 2.7Å; S1008-D1012 VanDerWaalsContact O-N 3.07Å; D1012-I1014 PolarHBondContact O-N 2.63Å
1013	V	47	Very low	50.6	Low	65 Å²	65	73.8 Å²	73.8	39%	0.394	39%	0.389	S	S	.	.			trans	-71.1	85.9	163.5	-176	0	0	0	0	107.2	K817 P1015	K817-V1013 HydrophobicContact CB-CG1 4.45Å; V1013-P1015 WeakPolarHBondContact O-CD 3.38Å; V1013-P1015 VanDerWaalsContact O-N 3.13Å
1014	I	31.8	Very low	48.1	Very low	49 Å²	49	76.8 Å²	76.8	25%	0.251	41%	0.409	S	S	.	.			trans	-46	121.2	163.5	-63	174.1	0	0	0	106.5	Y1009 D1012 S1016	Y1009-I1014 HydrophobicContact CD1-CD1 4.27Å; D1012-I1014 PolarHBondContact O-N 2.63Å; I1014-S1016 PolarHBondContact O-N 3.44Å
1015	P	29.6	Very low	45.6	Very low	110 Å²	110	74.5 Å²	74.5	71%	0.714	40%	0.402	S	S	*	.			trans	-61.9	114.6	168.8	26.1	-31.5	0	0	0	106.5	V1013 I1017	V1013-P1015 WeakPolarHBondContact O-CD 3.38Å; V1013-P1015 VanDerWaalsContact O-N 3.13Å; P1015-I1017 PolarHBondContact O-N 3.02Å
1016	S	25.6	Very low	43.4	Very low	57 Å²	57	80.8 Å²	80.8	40%	0.399	42%	0.424	S	S	.	.			trans	-54.4	109.5	-166.6	44.4	0	0	0	0	112.2	I1014 D1018	I1014-S1016 PolarHBondContact O-N 3.44Å; S1016-D1018 WeakPolarHBondContact CB-OD2 3.21Å; S1016-D1018 PolarHBondContact O-N 3.06Å
1017	I	28.1	Very low	41	Very low	126 Å²	126	85.9 Å²	85.9	65%	0.646	46%	0.458	S	S	*	.			trans	-83.2	16.3	155.3	-44.8	-177.1	0	0	0	108.7	P1015 S1019 E1020	P1015-I1017 PolarHBondContact O-N 3.02Å; I1017-S1019 PolarHBondContact O-N 2.85Å; I1017-E1020 PolarHBondContact O-N 3.35Å
1018	D	26.1	Very low	38.6	Very low	103 Å²	103	95.2 Å²	95.2	55%	0.551	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	47.5	178	-50	-50.8	0	0	0	112.9	S1016	S1016-D1018 WeakPolarHBondContact CB-OD2 3.21Å; S1016-D1018 PolarHBondContact O-N 3.06Å
1019	S	29.9	Very low	36.4	Very low	67 Å²	67	100.9 Å²	100.9	47%	0.469	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-4.3	156.7	63	0	0	0	0	113.1	S396 I1017	S396-S1019 WeakPolarHBondContact OG-CB 3.48Å; S396-S1019 PolarHBondContact OG-O 2.99Å; S396-S1019 PolarHBondContact OG-OG 3.33Å; I1017-S1019 PolarHBondContact O-N 2.85Å
1020	E	31.2	Very low	34.2	Very low	71 Å²	71	105.7 Å²	105.7	33%	0.332	55%	0.546	S	S	.	.	S	Bend	trans	-142.4	120.1	171.4	-89.1	157.3	-127.1	0	0	105.3	S396 I1017	S396-E1020 VanDerWaalsContact C-OE1 3.31Å; S396-E1020 VanDerWaalsContact CB-OE1 3.27Å; S396-E1020 WeakPolarHBondContact CB-OE1 3.4Å; S396-E1020 WeakPolarHBondContact OG-CG 3.15Å; S396-E1020 PolarHBondContact OG-OE1 3.3Å; I1017-E1020 PolarHBondContact O-N 3.35Å
1021	I	32	Very low	31.8	Very low	122 Å²	122	113.4 Å²	113.4	63%	0.626	59%	0.587	S	S	*	*			cis	-151.7	148.9	41.8	-76.4	118.4	0	0	0	108
1022	D	23.8	Very low	29.6	Very low	122 Å²	122	121 Å²	121	65%	0.652	63%	0.626	S	S	*	*			trans	-156.2	96.6	168.5	-161.8	21.8	0	0	0	107.8	K395	K395-D1022 PolarHBondContact NZ-O 2.97Å
1023	Y	31.2	Very low	28.4	Very low	174 Å²	174	123.3 Å²	123.3	68%	0.682	64%	0.644	S	S	*	*			trans	-126.9	144.8	179.6	-113.8	-76.9	0	0	0	110.3
1024	S	26.3	Very low	27.1	Very low	107 Å²	107	125 Å²	125	75%	0.748	66%	0.658	S	S	*	*			trans	-94.5	131.6	-167	54.1	0	0	0	0	113.6
1025	D	24.3	Very low	26.8	Very low	119 Å²	119	129.7 Å²	129.7	64%	0.636	68%	0.683	S	S	*	*			trans	-77.3	133	162.5	-94.6	-24.9	0	0	0	112.1
1026	Y	26.3	Very low	26.6	Very low	229 Å²	229	133.2 Å²	133.2	90%	0.898	69%	0.687	S	S	*	*			trans	-158.7	145.7	133.7	-94.6	-72.3	0	0	0	108.6
1027	P	27.9	Very low	26.5	Very low	121 Å²	121	137.1 Å²	137.1	79%	0.786	70%	0.702	S	S	*	*			trans	-90.5	163.5	-165.9	35.8	-34.9	0	0	0	115
1028	F	25.4	Very low	26.3	Very low	200 Å²	200	136.9 Å²	136.9	88%	0.877	71%	0.711	S	S	*	*			trans	-67.8	137.3	178.3	-100	-110.8	0	0	0	114.7
1029	H	25	Very low	26.3	Very low	151 Å²	151	138.7 Å²	138.7	70%	0.699	72%	0.718	S	S	*	*				-162.7	137.7	110.9	-121.9	-97.4	0	0	0	113.4
1030	E	24.9	Very low	26.1	Very low	162 Å²	162	143.9 Å²	143.9	76%	0.757	74%	0.735	S	S	*	*			trans	33.3	130.1	156.5	-70.1	166.5	147.7	0	0	123.5
1031	N	24.7	Very low	26	Very low	164 Å²	164	149.8 Å²	149.8	88%	0.877	77%	0.765	S	S	*	*			trans	-138.5	120.7	175.5	-93.7	-56.2	0	0	0	112
1032	I	24	Very low	25.7	Very low	165 Å²	165	150.6 Å²	150.6	85%	0.846	77%	0.768	S	S	*	*			trans	-158	140.6	156.1	-55.1	-175.1	0	0	0	107.2
1033	P	30.5	Very low	25.7	Very low	105 Å²	105	154.1 Å²	154.1	68%	0.682	78%	0.78	S	S	*	*			cis	-130.5	-169.6	-21.6	38.7	-20.9	0	0	0	113.9
1034	S	21	Very low	25.4	Very low	100 Å²	100	154.1 Å²	154.1	70%	0.699	79%	0.787	S	S	*	*			trans	64.6	112.4	158.4	57.6	0	0	0	0	118.8
1035	I	24.9	Very low	25.4	Very low	149 Å²	149	156.8 Å²	156.8	76%	0.764	79%	0.787	S	S	*	*				92.8	106.9	51.3	-71.2	173.7	0	0	0	113.8
1036	K	25.4	Very low	25.7	Very low	184 Å²	184	156.5 Å²	156.5	80%	0.8	79%	0.792	S	S	*	*			trans	69.6	151.9	148.6	-75.4	177.6	-175.3	180	0	118.5
1037	I	24.7	Very low	25.8	Very low	139 Å²	139	153.7 Å²	153.7	71%	0.713	79%	0.789	S	S	*	*			cis	-143.8	151.5	1.5	-101.8	139.6	0	0	0	107.5	M1039	I1037-M1039 HydrophobicContact CG2-CB 4.4Å
1038	S	23.3	Very low	25.7	Very low	121 Å²	121	156.5 Å²	156.5	85%	0.846	80%	0.796	S	S	*	*			trans	-97.8	120.5	156.9	54.2	0	0	0	0	109.5
1039	M	25	Very low	25.7	Very low	141 Å²	141	150.6 Å²	150.6	70%	0.695	79%	0.792	S	S	*	*			trans	-89.5	174.6	-177.7	-163	150.8	68.5	0	0	111.4	I1037	I1037-M1039 HydrophobicContact CG2-CB 4.4Å
1040	E	26.6	Very low	25.8	Very low	176 Å²	176	150.7 Å²	150.7	82%	0.822	80%	0.798	S	S	*	*			trans	77.4	93	-169.7	-60.3	175.2	-167.7	0	0	113.2
1041	M	28.1	Very low	25.8	Very low	194 Å²	194	151.7 Å²	151.7	96%	0.956	80%	0.8	S	S	*	*			cis	-29.9	98.2	20.3	-72	178.5	58.9	0	0	119.1
1042	M	26	Very low	25.9	Very low	140 Å²	140	148.6 Å²	148.6	69%	0.69	79%	0.79	S	S	*	*			trans	-166.6	108.8	150.5	-127.2	-180	71.5	0	0	108.7
1043	E	25.4	Very low	26.2	Very low	195 Å²	195	148 Å²	148	91%	0.911	79%	0.788	S	S	*	*			trans	139.5	108.8	174	-87.8	-178.9	-174.4	0	0	106
1044	Q	24.2	Very low	26	Very low	175 Å²	175	150.3 Å²	150.3	82%	0.818	80%	0.795	S	S	*	*			cis	-121.5	173.2	19.9	-68.3	146.4	-11.7	0	0	109.9
1045	E	26.8	Very low	26.2	Very low	163 Å²	163	156.9 Å²	156.9	76%	0.762	80%	0.804	S	S	*	*			cis	-167.6	177.7	-8.4	-117.5	-176.3	-93.8	0	0	107.1
1046	P	29.3	Very low	26.2	Very low	113 Å²	113	157.6 Å²	157.6	73%	0.734	81%	0.81	S	S	*	*			cis	-123.9	-162.4	-12.5	35.7	-15.7	0	0	0	112.8
1047	M	28.4	Very low	26.2	Very low	170 Å²	170	153.8 Å²	153.8	84%	0.837	81%	0.807	S	S	*	*			trans	-80.1	167.8	-169.5	-77.2	-92.6	-81.6	0	0	117.4
1048	L	26.5	Very low	26.5	Very low	179 Å²	179	153.2 Å²	153.2	94%	0.937	81%	0.812	S	S	*	*			trans	89.8	135.4	170.2	-59.8	139.9	0	0	0	116
1049	G	24.5	Very low	26.7	Very low	76 Å²	76	157 Å²	157	78%	0.784	82%	0.816	S	S	*	*			cis	-167.2	-177.2	2.8	0	0	0	0	0	113.5
1050	D	28	Very low	26.9	Very low	154 Å²	154	156.2 Å²	156.2	82%	0.824	82%	0.819	S	S	*	*			trans	-95.8	154.7	-149.1	-160.9	6.8	0	0	0	118
1051	K	25.1	Very low	26.9	Very low	183 Å²	183	158.2 Å²	158.2	80%	0.796	83%	0.826	S	S	*	*			trans	151.8	119.3	137.3	-84.7	174.6	-178.2	-178.6	0	119.2
1052	S	26.4	Very low	27.1	Very low	98 Å²	98	156 Å²	156	69%	0.685	82%	0.817	S	S	*	*			trans	29.7	151.1	130.1	68.1	0	0	0	0	123
1053	L	29.2	Very low	27.2	Very low	152 Å²	152	156.6 Å²	156.6	80%	0.796	82%	0.823	S	S	*	*			cis	-171.3	178.2	-2.3	-116.9	168.4	0	0	0	110.7
1054	D	26.8	Very low	28.6	Very low	154 Å²	154	151.8 Å²	151.8	82%	0.824	81%	0.809	S	S	*	*			trans	91.1	146.5	157.7	-62.3	-25.4	0	0	0	122.7
1055	R	25.9	Very low	28.9	Very low	238 Å²	238	152.1 Å²	152.1	90%	0.898	81%	0.81	S	S	*	*			trans	-153.7	139.7	-160.5	165.3	-173.2	167.7	-167.8	-3.9	110.1
1056	D	25.2	Very low	29	Very low	164 Å²	164	149.5 Å²	149.5	88%	0.877	81%	0.81	S	S	*	*			trans	-133.7	169.5	170.7	-113	-36.9	0	0	0	113.3
1057	S	24.8	Very low	29.9	Very low	105 Å²	105	149.7 Å²	149.7	73%	0.734	81%	0.811	S	S	*	*			trans	-112.1	158.5	-160.7	61.8	0	0	0	0	116.3
1058	P	30.5	Very low	30.2	Very low	126 Å²	126	150.9 Å²	150.9	82%	0.818	83%	0.833	S	S	*	*			trans	-101.5	158.1	174	37.9	-32.6	0	0	0	114.4
1059	Q	28.1	Very low	30.4	Very low	200 Å²	200	149.5 Å²	149.5	94%	0.935	83%	0.828	S	S	*	*			trans	-105.1	161	178.2	-76.5	-175	-19.2	0	0	114.4
1060	T	30.1	Very low	30.7	Very low	125 Å²	125	153.3 Å²	153.3	77%	0.767	83%	0.831	S	S	*	*			trans	-89	158.4	-175.1	42.1	0	0	0	0	115.6
1061	F	26.3	Very low	30.8	Very low	218 Å²	218	153.3 Å²	153.3	96%	0.956	83%	0.831	S	S	*	*			trans	-151	156.5	145.9	-108.2	-76.6	0	0	0	113
1062	L	32.1	Very low	31.2	Very low	148 Å²	148	151.5 Å²	151.5	78%	0.775	83%	0.833	S	S	*	*			trans	-115.7	148.7	-167.6	-75.8	144.1	0	0	0	113.3
1063	N	28.5	Very low	31.5	Very low	153 Å²	153	154.9 Å²	154.9	82%	0.818	84%	0.842	S	S	*	*				173.1	163.3	112.1	-93.6	-22.2	0	0	0	114.9
1064	P	53.3	Low	31.6	Very low	94 Å²	94	155.1 Å²	155.1	61%	0.61	85%	0.845	S	S	*	*			trans	-118.6	-165.6	-169.2	42.5	-29.2	0	0	0	115.1
1065	H	31.7	Very low	31.9	Very low	182 Å²	182	155.1 Å²	155.1	84%	0.843	85%	0.847	S	S	*	*			trans	101	138.1	172.6	-63.4	-60.6	0	0	0	116
1066	S	29.3	Very low	32.4	Very low	108 Å²	108	148.8 Å²	148.8	76%	0.755	84%	0.843	S	S	*	*			cis	-161.5	-162.7	-2.5	71.2	0	0	0	0	111.3
1067	P	46.8	Very low	33	Very low	117 Å²	117	147.5 Å²	147.5	76%	0.76	84%	0.84	S	S	*	*			trans	-108	-173.2	-147.7	29.3	-3.3	0	0	0	113
1068	C	34.7	Very low	33.8	Very low	194 Å²	194	151.4 Å²	151.4	100%	1.311	85%	0.85	S	S	*	*			cis	-148	0	12.9	-155.8	0	0	0	0	111.3

Retrieved 1,068 of 1,068 residues in 1479 ms (Link to these results)

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