A0A3Q0KCF1_SCHMA Loading...

Putative guanine-nucleotide-exchange-factor

AlphaFold DB , UniProt , Accession A0A3Q0KCF1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 888 aa.

						>A0A3Q0KCF1_SCHMA|A0A3Q0KCF1
MYVKSGNSNDTPVFQVSPISSQSLSSPLSSKKSNQTIVSAKKLHNPLNNEIFPIQPPNTTVCISDNNHNNNKDFQHTACQTVNKKNDKRSTKGKNSGQKWSLCSQLSLCCVSEKSKPAKISSFFTRPNDNDNDYDNNDNHKDTENKQKLITESPDTEVDYLDNSDEATLRLKDSFKTYEERQKYKSIIQDTPLYQIYTEKASISESRRDARRLLALVQPGSLDNPSNNLKFDDELFTAIDGDESDSNNQYSQKVPGSLIDSQQPSIHMKNSERRDLPFRLQNSGSSSFRSRNGDSLKTSSIKRTHSSSNTGERSKNQSSASKPRRQTQEVQNFVNEVAGTGPNRVQWSEMPQVISADLARDLPDYQKKLQEALFEVITSEASYYRTLHILIEKFYKAPCMQPDSKTSVITAIEKRHLFSNISEIFFTSETFLRDMELYFIQNPLIPQLCEIIYEHTENHFENYVKYVQNQMYQLRTLTKLLSSPAFVEAVRSIQQQPSCGFLDLNSFLLLPMQRVTRLRLLLTAILHYAPKNGVTYQSGLVALASIEKLISKCDSEKARMEQKERLVEICRRLEYKYDAKSLATESRTLVKEGDLRLLTMTNVQGSGFHRRFSSIRKSKATIATLFLFSDYLLITKKRSNQHLLVEDSCSLSYIHVEAHNALPNCFIHHFCRSGDPKLNAQLGHVTYVKTLSLPKQTATEQGKVNNQKPRKFSTDTNNAADVGLNVFSFILIMEGPDHPRVQYVFQTETLSKRERWLDGLSCGRHGIPENLGLDICECPQVLITKSYSAIECDELELKEGDQVNVLVSLSDGWLKGALPDGRRGWFPSHICTEVKDSSMKRENMKNFMLMEEAKAAYRVRKSRETFDGFPRMKDIRNSNRDLGKIRRR
					

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	29.6	Very low	34	Very low	236 Å²	236	151.5 Å²	151.5	100%	1.163	83%	0.831	S	S	*	*				0	132.3	0	-49.5	176.2	-155.3	0	0	106.2
2	Y	31.9	Very low	34.1	Very low	234 Å²	234	149.7 Å²	149.7	92%	0.918	83%	0.832	S	S	*	*			cis	-90.9	168	8.3	-84.3	-111.8	0	0	0	113.9
3	V	28.3	Very low	33.6	Very low	120 Å²	120	146.5 Å²	146.5	73%	0.727	82%	0.819	S	S	*	*			trans	-128.2	137.9	161.5	173.7	0	0	0	0	106.9
4	K	34.7	Very low	33.3	Very low	216 Å²	216	151.4 Å²	151.4	94%	0.939	83%	0.828	S	S	*	*			trans	-141.9	128.3	151.7	-118.1	-177.9	179.8	-175.8	0	108.2
5	S	34.9	Very low	32.8	Very low	116 Å²	116	151.7 Å²	151.7	81%	0.811	82%	0.821	S	S	*	*			trans	-116.9	158.4	-165.8	47.1	0	0	0	0	112
6	G	36.7	Very low	32.8	Very low	70 Å²	70	151.2 Å²	151.2	72%	0.722	82%	0.824	S	S	*	*			trans	134.3	145.2	162.2	0	0	0	0	0	113.5
7	N	36.7	Very low	32.6	Very low	157 Å²	157	147.6 Å²	147.6	84%	0.84	81%	0.813	S	S	*	*			cis	-164.3	166	-22.4	-144.1	17.7	0	0	0	108.9
8	S	38.8	Very low	32.6	Very low	98 Å²	98	146.2 Å²	146.2	69%	0.685	81%	0.812	S	S	*	*			trans	64.7	144.8	172.8	72.4	0	0	0	0	116.6
9	N	35.1	Very low	32.8	Very low	142 Å²	142	147.3 Å²	147.3	76%	0.759	81%	0.814	S	S	*	*			cis	-156	-177.2	-9.4	-117.6	13.2	0	0	0	111.1
10	D	36.7	Very low	32.7	Very low	149 Å²	149	145.3 Å²	145.3	80%	0.797	81%	0.811	S	S	*	*			trans	80.8	113.2	164.2	-55.5	-18.1	0	0	0	118.7
11	T	30.1	Very low	32.7	Very low	128 Å²	128	143.1 Å²	143.1	79%	0.785	81%	0.805	S	S	*	*			trans	-144.4	153.4	167.6	51.2	0	0	0	0	109.4
12	P	36.3	Very low	33	Very low	130 Å²	130	140.2 Å²	140.2	84%	0.844	79%	0.789	S	S	*	*			trans	-113.5	148.2	152.2	34.3	-26.8	0	0	0	111.6
13	V	27.7	Very low	33.1	Very low	108 Å²	108	133.6 Å²	133.6	66%	0.655	78%	0.777	S	S	*	*			trans	-102.5	147.6	-173.8	172.4	0	0	0	0	111.1	Q15	V13-Q15 HydrophobicContact CG1-CB 4.2Å
14	F	29.1	Very low	33.4	Very low	216 Å²	216	135.7 Å²	135.7	95%	0.947	78%	0.783	S	S	*	*			trans	-125.9	136.9	153.1	-93.7	-83.3	0	0	0	110.7
15	Q	25	Very low	33.4	Very low	156 Å²	156	130.8 Å²	130.8	73%	0.729	78%	0.776	S	S	*	*			trans	-146.5	129.2	-171.7	175.1	-174	-10.6	0	0	109	V13	V13-Q15 HydrophobicContact CG1-CB 4.2Å
16	V	32.7	Very low	33.2	Very low	143 Å²	143	130.5 Å²	130.5	87%	0.867	77%	0.774	S	S	*	*			trans	-139.5	143.3	170.7	-175	0	0	0	0	109.2
17	S	29.7	Very low	33.3	Very low	90 Å²	90	132.1 Å²	132.1	63%	0.629	77%	0.772	S	S	*	*			trans	-104.7	159.8	-161.9	-55.1	0	0	0	0	114.2
18	P	33.2	Very low	33.1	Very low	122 Å²	122	132.3 Å²	132.3	79%	0.792	77%	0.772	S	S	*	*			trans	-84.1	159.4	173.1	35.2	-35.7	0	0	0	113.2
19	I	37	Very low	32.8	Very low	168 Å²	168	132.2 Å²	132.2	86%	0.862	77%	0.772	S	S	*	*			trans	-133.6	147.8	172.3	-63.8	179.8	0	0	0	109.3
20	S	30	Very low	32.7	Very low	107 Å²	107	130 Å²	130	75%	0.748	77%	0.767	S	S	*	*			trans	-129.2	163.4	-170.5	-69.1	0	0	0	0	114.1
21	S	33.5	Very low	32.6	Very low	99 Å²	99	131.7 Å²	131.7	69%	0.692	77%	0.767	S	S	*	*			trans	100.1	153.6	143.8	83.2	0	0	0	0	120.3
22	Q	35.2	Very low	32.8	Very low	175 Å²	175	134.5 Å²	134.5	82%	0.818	77%	0.769	S	S	*	*			trans	74.1	145.1	167.3	-58.6	175.6	58.7	0	0	118
23	S	32.9	Very low	32.5	Very low	96 Å²	96	132.9 Å²	132.9	67%	0.671	76%	0.76	S	S	*	*				168.4	137.5	-52.4	48.7	0	0	0	0	109.2
24	L	35.3	Very low	32.7	Very low	163 Å²	163	134.3 Å²	134.3	85%	0.853	76%	0.764	S	S	*	*			trans	176.6	143.5	139.7	-101.1	162.3	0	0	0	114.6
25	S	35.6	Very low	32.8	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	76%	0.758	S	S	*	*			trans	50.1	134	153.5	55.1	0	0	0	0	122.9
26	S	29.8	Very low	33	Very low	110 Å²	110	130.1 Å²	130.1	77%	0.769	76%	0.756	S	S	*	*			trans	-123.4	-160.7	167	63.3	0	0	0	0	108.1
27	P	39.6	Very low	32.9	Very low	104 Å²	104	130 Å²	130	68%	0.675	75%	0.748	S	S	*	*			cis	-137.3	-156.6	-9.3	30.6	-4.8	0	0	0	113.6
28	L	33	Very low	33	Very low	160 Å²	160	132.2 Å²	132.2	84%	0.838	76%	0.758	S	S	*	*			trans	91.8	115	150.4	-72.9	161.1	0	0	0	122.8
29	S	31.1	Very low	32.8	Very low	97 Å²	97	131 Å²	131	68%	0.678	75%	0.753	S	S	*	*				84.1	87.4	124.3	-152	0	0	0	0	123.1
30	S	33.4	Very low	32.6	Very low	94 Å²	94	127.5 Å²	127.5	66%	0.657	75%	0.749	S	S	*	*				95.5	139	118.1	86.8	0	0	0	0	122.9
31	K	35	Very low	32.8	Very low	186 Å²	186	131.9 Å²	131.9	81%	0.809	75%	0.754	S	S	*	*			trans	64.9	108.3	144.8	-71.6	169.4	-177.2	170.7	0	121.2
32	K	33.1	Very low	32.7	Very low	186 Å²	186	135.2 Å²	135.2	81%	0.809	76%	0.756	S	S	*	*				82.1	112.6	127.8	-73.8	-169.8	172.1	-173.3	0	120.6
33	S	30.6	Very low	32.5	Very low	96 Å²	96	135.4 Å²	135.4	67%	0.671	76%	0.762	S	S	*	*				79.2	132.9	125	65.8	0	0	0	0	121.7
34	N	32.5	Very low	32.5	Very low	138 Å²	138	137.6 Å²	137.6	74%	0.738	76%	0.761	S	S	*	*			trans	77.6	95.3	148.2	-62.6	2.7	0	0	0	119.9
35	Q	31.2	Very low	32.3	Very low	173 Å²	173	137.4 Å²	137.4	81%	0.808	76%	0.761	S	S	*	*				75.8	134.7	107.5	-154.4	174.4	21.3	0	0	119
36	T	29.1	Very low	32.1	Very low	112 Å²	112	136.5 Å²	136.5	69%	0.687	75%	0.753	S	S	*	*			trans	117.3	99.1	148.4	-46.2	0	0	0	0	117.4
37	I	29.2	Very low	32.2	Very low	139 Å²	139	139.8 Å²	139.8	71%	0.713	76%	0.761	S	S	*	*			trans	46.6	116.2	136.9	-50.3	170	0	0	0	120.1
38	V	33.4	Very low	31.9	Very low	137 Å²	137	141.7 Å²	141.7	83%	0.83	77%	0.765	S	S	*	*				-162	107.7	122.1	170.6	0	0	0	0	104.6
39	S	28.4	Very low	31.7	Very low	98 Å²	98	141.5 Å²	141.5	69%	0.685	77%	0.765	S	S	*	*				82.8	140.8	65.3	-69.4	0	0	0	0	114.9
40	A	32.8	Very low	31.6	Very low	94 Å²	94	143.6 Å²	143.6	78%	0.777	76%	0.764	S	S	*	*			trans	92.2	139.3	-179.4	0	0	0	0	0	117.1
41	K	33.6	Very low	31.4	Very low	198 Å²	198	146.5 Å²	146.5	86%	0.861	77%	0.771	S	S	*	*			cis	-151.7	112.1	-12	-118.8	170.9	-171.7	177.1	0	112.1
42	K	32.2	Very low	31	Very low	170 Å²	170	144.9 Å²	144.9	74%	0.739	76%	0.764	S	S	*	*			trans	12.1	114.7	148.3	-164.5	177	-171.7	178.9	0	118.8	H44	K42-H44 WeakPolarHBondContact CE-CD2 3.37Å; K42-H44 WeakPolarHBondContact CE-NE2 3.31Å
43	L	31.3	Very low	30.7	Very low	179 Å²	179	141.3 Å²	141.3	94%	0.937	76%	0.76	S	S	*	*			trans	-116	134.9	141.9	-105.1	166.5	0	0	0	107.9
44	H	32.7	Very low	30.6	Very low	141 Å²	141	143.9 Å²	143.9	65%	0.653	76%	0.764	S	S	*	*			trans	-108.4	139	175.6	-104.5	-33	0	0	0	108.8	K42	K42-H44 WeakPolarHBondContact CE-CD2 3.37Å; K42-H44 WeakPolarHBondContact CE-NE2 3.31Å
45	N	30.8	Very low	30.3	Very low	160 Å²	160	145 Å²	145	86%	0.856	77%	0.765	S	S	*	*			trans	-151.5	144.3	132.5	-123.4	-2.8	0	0	0	109.6
46	P	31.7	Very low	30.4	Very low	95 Å²	95	141.9 Å²	141.9	62%	0.617	76%	0.76	S	S	*	*			trans	-100.2	161.8	-174.7	38.4	-33.6	0	0	0	112.7
47	L	32.3	Very low	30.6	Very low	178 Å²	178	141.8 Å²	141.8	93%	0.932	76%	0.761	S	S	*	*			trans	-142	108.3	141.8	-107.6	170.3	0	0	0	107.8
48	N	32.8	Very low	30.4	Very low	144 Å²	144	142.6 Å²	142.6	77%	0.77	77%	0.767	S	S	*	*			trans	-91.2	178.8	178.9	-92	-22.1	0	0	0	110.7	E50	N48-E50 PolarHBondContact O-N 3.13Å; N48-E50 VanDerWaalsContact O-N 3.14Å
49	N	28.8	Very low	30.3	Very low	156 Å²	156	142 Å²	142	83%	0.834	76%	0.763	S	S	*	*			trans	-56.6	108.8	165.6	-56.3	-37.4	0	0	0	112.4
50	E	28.3	Very low	30.1	Very low	141 Å²	141	142.9 Å²	142.9	66%	0.659	77%	0.765	S	S	*	*			trans	-139.5	110.3	146.6	-64.5	-172.2	173	0	0	103.7	N48 F52	N48-E50 PolarHBondContact O-N 3.13Å; N48-E50 VanDerWaalsContact O-N 3.14Å; E50-F52 VanDerWaalsContact C-N 3.29Å; E50-F52 HydrophobicContact CB-CD2 4.32Å; E50-F52 HydrophobicContact CB-CE2 4.33Å
51	I	29.6	Very low	29.9	Very low	156 Å²	156	144.6 Å²	144.6	80%	0.8	77%	0.766	S	S	*	*				29.4	65.7	52.9	-44	-174.8	0	0	0	110.8	P53	I51-P53 WeakPolarHBondContact O-CD 3.15Å
52	F	26.5	Very low	29.4	Very low	151 Å²	151	139.3 Å²	139.3	66%	0.662	75%	0.753	S	S	*	*			trans	-72.1	115.4	158.6	-82	-88.3	0	0	0	109	E50 I54	E50-F52 VanDerWaalsContact C-N 3.29Å; E50-F52 HydrophobicContact CB-CD2 4.32Å; E50-F52 HydrophobicContact CB-CE2 4.33Å; F52-I54 HydrophobicContact CB-CG1 4.15Å; F52-I54 PolarHBondContact O-N 2.73Å
53	P	26.3	Very low	29.2	Very low	111 Å²	111	139.3 Å²	139.3	72%	0.721	76%	0.759	S	S	*	*			trans	-74.4	84.9	159	32.8	-31.6	0	0	0	107.5	I51 Q55	I51-P53 WeakPolarHBondContact O-CD 3.15Å; P53-Q55 VanDerWaalsContact C-N 3.29Å; P53-Q55 PolarHBondContact O-N 2.93Å
54	I	29.9	Very low	29.1	Very low	150 Å²	150	135.7 Å²	135.7	77%	0.769	75%	0.749	S	S	*	*			trans	-65.1	99	165.8	-58.9	-179	0	0	0	105.9	F52	F52-I54 HydrophobicContact CB-CG1 4.15Å; F52-I54 PolarHBondContact O-N 2.73Å
55	Q	26.3	Very low	28.7	Very low	162 Å²	162	136.1 Å²	136.1	76%	0.757	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-63.5	137.1	172.7	-67.6	-159.6	-23.9	0	0	108.6	P53	P53-Q55 VanDerWaalsContact C-N 3.29Å; P53-Q55 PolarHBondContact O-N 2.93Å
56	P	33.2	Very low	28.7	Very low	107 Å²	107	135.3 Å²	135.3	70%	0.695	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-60.9	136.6	173.9	27.1	-33.9	0	0	0	108.9	N58	P56-N58 PolarHBondContact O-N 3.19Å
57	P	32	Very low	28.8	Very low	111 Å²	111	136.7 Å²	136.7	72%	0.721	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-65	119.7	175.4	26.3	-32.7	0	0	0	109.5	T59	P57-T59 PolarHBondContact O-N 2.9Å
58	N	26.5	Very low	28.9	Very low	156 Å²	156	135.2 Å²	135.2	83%	0.834	74%	0.742	S	S	*	*			trans	-66.8	93.9	172.7	-79.2	-31	0	0	0	110	P56	P56-N58 PolarHBondContact O-N 3.19Å
59	T	29.6	Very low	28.9	Very low	123 Å²	123	134.1 Å²	134.1	76%	0.755	74%	0.736	S	S	*	*			trans	-109.6	97.6	173	-54.9	0	0	0	0	109.4	P57	P57-T59 PolarHBondContact O-N 2.9Å
60	T	24.7	Very low	29.1	Very low	117 Å²	117	133.2 Å²	133.2	72%	0.718	73%	0.731	S	S	*	*			trans	-94	107.9	-174.8	-56.7	0	0	0	0	112.2
61	V	28.2	Very low	29.3	Very low	130 Å²	130	132.5 Å²	132.5	79%	0.788	73%	0.732	S	S	*	*			trans	-146.4	105.6	158.9	-171	0	0	0	0	105.7
62	C	24	Very low	29.5	Very low	87 Å²	87	133.9 Å²	133.9	59%	0.588	73%	0.732	S	S	*	*				85	132.2	50.9	-65.6	0	0	0	0	114
63	I	26.7	Very low	29.6	Very low	170 Å²	170	133.4 Å²	133.4	87%	0.872	74%	0.736	S	S	*	*			trans	76.8	129.5	171.1	-52.7	161.8	0	0	0	113.3
64	S	30.1	Very low	29.9	Very low	104 Å²	104	138.2 Å²	138.2	73%	0.727	75%	0.746	S	S	*	*			cis	-143.6	142.7	2.7	48.8	0	0	0	0	113
65	D	24.4	Very low	29.9	Very low	149 Å²	149	139.1 Å²	139.1	80%	0.797	75%	0.747	S	S	*	*			trans	-73.6	159.1	168.4	-54	-87.8	0	0	0	113.9
66	N	31.8	Very low	29.9	Very low	143 Å²	143	139.9 Å²	139.9	77%	0.765	75%	0.751	S	S	*	*				-169.5	135.7	128.9	-108.5	-61.1	0	0	0	114
67	N	32.7	Very low	29.7	Very low	125 Å²	125	141.5 Å²	141.5	67%	0.668	76%	0.759	S	S	*	*			trans	57.4	131	153.2	-64.6	-32.5	0	0	0	119.6
68	H	34	Very low	29.5	Very low	146 Å²	146	140.8 Å²	140.8	68%	0.676	76%	0.762	S	S	*	*			cis	-175.8	131.9	17.5	-133.7	52	0	0	0	111.3
69	N	33.7	Very low	29.6	Very low	121 Å²	121	139.7 Å²	139.7	65%	0.647	77%	0.765	S	S	*	*			trans	65.9	141.3	141.8	-75	-16.2	0	0	0	125.6
70	N	33.3	Very low	29.5	Very low	137 Å²	137	141.9 Å²	141.9	73%	0.733	77%	0.767	S	S	*	*			trans	80.9	137.6	151.7	-65.9	-38.4	0	0	0	120.3
71	N	31.5	Very low	29.7	Very low	127 Å²	127	142 Å²	142	68%	0.679	77%	0.768	S	S	*	*			cis	-167.4	163.2	-27.2	-145.8	-44.7	0	0	0	110.9
72	K	34.6	Very low	29.8	Very low	185 Å²	185	142.9 Å²	142.9	80%	0.804	77%	0.773	S	S	*	*			trans	80.4	139	162.9	-60.8	178.4	-178.5	179.6	0	120.2
73	D	28.9	Very low	30	Very low	140 Å²	140	145.6 Å²	145.6	75%	0.749	78%	0.782	S	S	*	*			trans	-94.1	170.8	-171.8	-38.6	-107.6	0	0	0	113.8
74	F	31.1	Very low	30.5	Very low	213 Å²	213	147.2 Å²	147.2	93%	0.934	78%	0.782	S	S	*	*				-164.7	161.2	114	-120	-88.2	0	0	0	111.9
75	Q	29.8	Very low	30.6	Very low	169 Å²	169	151.1 Å²	151.1	79%	0.79	79%	0.786	S	S	*	*			trans	-105.3	159.7	-164.3	-66	-175.5	-12.2	0	0	116.5
76	H	26.8	Very low	31	Very low	178 Å²	178	150.8 Å²	150.8	82%	0.824	79%	0.785	S	S	*	*			trans	8.8	138.4	150.9	-81.9	-99.9	0	0	0	121.4
77	T	29.6	Very low	31.1	Very low	141 Å²	141	150.3 Å²	150.3	87%	0.865	78%	0.782	S	S	*	*				-162.2	151.6	125.7	-76.7	0	0	0	0	110
78	A	27.9	Very low	31.1	Very low	96 Å²	96	152.9 Å²	152.9	79%	0.793	79%	0.787	S	S	*	*			trans	-134.6	154.5	175.2	0	0	0	0	0	111.4
79	C	27.4	Very low	30.9	Very low	133 Å²	133	157.5 Å²	157.5	90%	0.899	80%	0.798	S	S	*	*			trans	-153.1	166.2	175	-152.4	0	0	0	0	112.8
80	Q	28.5	Very low	30.6	Very low	168 Å²	168	157 Å²	157	79%	0.785	80%	0.804	S	S	*	*			trans	-123.3	157.3	-157.9	-64.7	-175.5	-8.1	0	0	116.3
81	T	28.2	Very low	30.7	Very low	121 Å²	121	157.5 Å²	157.5	74%	0.742	81%	0.813	S	S	*	*			trans	48.6	128.7	146	52.7	0	0	0	0	122.6
82	V	30.6	Very low	30.6	Very low	148 Å²	148	161.6 Å²	161.6	90%	0.897	83%	0.825	S	S	*	*			trans	-137.5	145.1	139.3	-178	0	0	0	0	109.4
83	N	29.4	Very low	30.5	Very low	144 Å²	144	156.2 Å²	156.2	77%	0.77	82%	0.821	S	S	*	*			trans	-130.8	142.4	-175.2	-138.2	-26.1	0	0	0	110
84	K	35.8	Very low	30.7	Very low	203 Å²	203	159.7 Å²	159.7	88%	0.883	83%	0.83	S	S	*	*			trans	-146.2	149.2	169	-101.1	179.7	-178.3	176.8	0	111.4
85	K	32.5	Very low	30.5	Very low	187 Å²	187	157.2 Å²	157.2	81%	0.813	83%	0.826	S	S	*	*			trans	-123.6	179.5	-168.4	-69.9	-177.8	174.1	175	0	112.5
86	N	33.5	Very low	30.7	Very low	142 Å²	142	155.2 Å²	155.2	76%	0.759	83%	0.831	S	S	*	*			trans	91.7	147.5	164.7	-61.7	13.2	0	0	0	115.6
87	D	34.4	Very low	30.8	Very low	132 Å²	132	150.2 Å²	150.2	71%	0.706	83%	0.827	S	S	*	*			cis	-142.7	-172.2	5.7	-135.3	-49.6	0	0	0	115.1
88	K	30.9	Very low	30.9	Very low	179 Å²	179	151.1 Å²	151.1	78%	0.778	82%	0.822	S	S	*	*			trans	-110.4	155.6	-160	-57.1	160.2	-178.8	167.1	0	116.1
89	R	31.4	Very low	31	Very low	243 Å²	243	155.1 Å²	155.1	92%	0.917	82%	0.821	S	S	*	*			trans	138.9	122.6	145.1	-77.6	161.8	178.5	-175.1	0	109.7
90	S	26.8	Very low	30.8	Very low	110 Å²	110	160 Å²	160	77%	0.769	82%	0.821	S	S	*	*			cis	86.6	107.4	42.2	-173	0	0	0	0	115
91	T	34.9	Very low	30.8	Very low	149 Å²	149	157.8 Å²	157.8	91%	0.914	82%	0.824	S	S	*	*			trans	-166.8	171.1	136	22.4	0	0	0	0	111.4
92	K	30.8	Very low	30.7	Very low	213 Å²	213	158.9 Å²	158.9	93%	0.926	83%	0.825	S	S	*	*			trans	-111.5	157.4	-167.4	-56.1	166.9	177.9	173.4	0	112.6
93	G	30.7	Very low	30.6	Very low	71 Å²	71	157.7 Å²	157.7	73%	0.732	82%	0.822	S	S	*	*				148.2	116.9	129.4	0	0	0	0	0	122.1
94	K	33.2	Very low	30.6	Very low	213 Å²	213	156.1 Å²	156.1	93%	0.926	82%	0.822	S	S	*	*			trans	85.6	153.6	141.3	-60.6	-174.7	177.5	-179.6	0	120.4
95	N	28.1	Very low	30.2	Very low	162 Å²	162	154.3 Å²	154.3	87%	0.866	82%	0.816	S	S	*	*			trans	-114.8	142.9	-160.2	-53.7	-20.7	0	0	0	113.7
96	S	33.7	Very low	30	Very low	127 Å²	127	152.9 Å²	152.9	89%	0.888	82%	0.817	S	S	*	*			trans	179.9	142.1	135.9	54.4	0	0	0	0	110.1
97	G	28.7	Very low	29.7	Very low	72 Å²	72	150.3 Å²	150.3	74%	0.742	81%	0.81	S	S	*	*			cis	137.1	96.3	-16	0	0	0	0	0	114.3
98	Q	32.1	Very low	29.4	Very low	161 Å²	161	151.4 Å²	151.4	75%	0.752	82%	0.815	S	S	*	*			trans	-168	138.4	156.1	-117.5	-179.8	79.8	0	0	115.5
99	K	29.9	Very low	29.2	Very low	180 Å²	180	147.9 Å²	147.9	78%	0.783	81%	0.812	S	S	*	*			trans	68.5	148.4	155.2	-69	169.6	-178.6	162	0	119.8
100	W	23.5	Very low	29	Very low	234 Å²	234	142.2 Å²	142.2	89%	0.886	81%	0.808	S	S	*	*			trans	-118.2	158	-172.7	-74.5	21	0	0	0	111.1	L102	W100-L102 HydrophobicContact CE3-CD1 4.07Å; W100-L102 HydrophobicContact CZ3-CD1 4.48Å
101	S	27.6	Very low	29.1	Very low	123 Å²	123	142.9 Å²	142.9	86%	0.86	81%	0.807	S	S	*	*			trans	-142.5	141.9	149.8	-170.7	0	0	0	0	108.4
102	L	25.9	Very low	28.7	Very low	144 Å²	144	140.9 Å²	140.9	75%	0.754	80%	0.799	S	S	*	*			trans	-105.9	130.8	-177.2	-79.2	120.2	0	0	0	111.4	W100	W100-L102 HydrophobicContact CE3-CD1 4.07Å; W100-L102 HydrophobicContact CZ3-CD1 4.48Å
103	C	28.1	Very low	28.6	Very low	123 Å²	123	139.1 Å²	139.1	83%	0.831	79%	0.794	S	S	*	*				173.6	84	128.8	-161.7	0	0	0	0	107.2
104	S	29.6	Very low	28.5	Very low	110 Å²	110	145.1 Å²	145.1	77%	0.769	80%	0.8	S	S	*	*				88.2	139.6	91.2	-162.2	0	0	0	0	112.6
105	Q	27.5	Very low	28.4	Very low	165 Å²	165	140.5 Å²	140.5	77%	0.771	80%	0.795	S	S	*	*			trans	-99.7	141	-163.2	-64.9	141.7	-81.7	0	0	112.7
106	L	28.8	Very low	28.3	Very low	157 Å²	157	142.2 Å²	142.2	82%	0.822	80%	0.795	S	S	*	*			trans	-130	97	145.9	-81.1	179.6	0	0	0	108.8
107	S	26.3	Very low	28.2	Very low	88 Å²	88	142.3 Å²	142.3	62%	0.615	79%	0.792	S	S	*	*			trans	-116.3	108.5	175.4	57.1	0	0	0	0	110.3
108	L	29.5	Very low	28.2	Very low	156 Å²	156	143 Å²	143	82%	0.817	79%	0.79	S	S	*	*			trans	-137.7	150.8	157.1	-73.2	95.5	0	0	0	107.9
109	C	26.6	Very low	27.9	Very low	105 Å²	105	145.3 Å²	145.3	71%	0.709	80%	0.798	S	S	*	*			cis	-177.7	132.8	-38.5	-120.8	0	0	0	0	105.9
110	C	26.7	Very low	27.9	Very low	124 Å²	124	144.5 Å²	144.5	84%	0.838	80%	0.801	S	S	*	*			trans	62.6	162.8	169.2	-53.5	0	0	0	0	115.5
111	V	29	Very low	28	Very low	123 Å²	123	137.9 Å²	137.9	75%	0.745	79%	0.79	S	S	*	*			cis	-114.8	146.2	-6	176.2	0	0	0	0	108.9	E113	V111-E113 HydrophobicContact CG1-CG 3.84Å
112	S	26.5	Very low	27.9	Very low	107 Å²	107	136.4 Å²	136.4	75%	0.748	78%	0.78	S	S	*	*			trans	-116.7	111	163.1	178.9	0	0	0	0	108.8
113	E	29.5	Very low	28	Very low	176 Å²	176	138.1 Å²	138.1	82%	0.822	78%	0.782	S	S	*	*			trans	-103.7	142.1	166.5	-70.3	-162.3	139.6	0	0	110.6	V111	V111-E113 HydrophobicContact CG1-CG 3.84Å
114	K	26.7	Very low	28	Very low	198 Å²	198	141.9 Å²	141.9	86%	0.861	78%	0.784	S	S	*	*			trans	-115.2	92.5	176.4	-68.3	-179.9	-179.9	177.6	0	109.1
115	S	31.8	Very low	28.1	Very low	116 Å²	116	142 Å²	142	81%	0.811	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-95.2	140.3	167.4	52.1	0	0	0	0	110.4
116	K	25.9	Very low	28.1	Very low	198 Å²	198	143.4 Å²	143.4	86%	0.861	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-93.4	141.3	-179.9	-54.6	167.6	-174.8	168.6	0	109.3
117	P	32.4	Very low	28.3	Very low	128 Å²	128	142 Å²	142	83%	0.831	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-70.9	129.9	149.3	31	-30.3	0	0	0	108.7
118	A	28.8	Very low	28.3	Very low	86 Å²	86	141.8 Å²	141.8	71%	0.711	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-81.2	149.5	172.5	0	0	0	0	0	110.7
119	K	25.8	Very low	28.7	Very low	211 Å²	211	142.3 Å²	142.3	92%	0.917	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-76.1	120.8	159.2	-74.9	-174.7	174.9	-174.6	0	107.9
120	I	29.2	Very low	28.9	Very low	162 Å²	162	143.4 Å²	143.4	83%	0.831	77%	0.773	S	S	*	*			trans	-123.1	124.4	158.1	-64.8	174.1	0	0	0	106.8
121	S	26.1	Very low	29.4	Very low	96 Å²	96	143.9 Å²	143.9	67%	0.671	77%	0.768	S	S	*	*			trans	-102.5	143.1	173.9	49.4	0	0	0	0	109.5
122	S	25.9	Very low	29.8	Very low	91 Å²	91	144.2 Å²	144.2	64%	0.636	77%	0.765	S	S	*	*			trans	49.3	115.9	155.7	59.2	0	0	0	0	118.6
123	F	26.5	Very low	30.3	Very low	181 Å²	181	145.3 Å²	145.3	79%	0.794	76%	0.762	S	S	*	*				167.6	126.3	108	-98.9	-76.7	0	0	0	109.7
124	F	29.1	Very low	30.6	Very low	202 Å²	202	146.4 Å²	146.4	89%	0.886	76%	0.761	S	S	*	*			trans	-175.7	104.2	130	-105.2	-69.7	0	0	0	111.2
125	T	30.9	Very low	31	Very low	113 Å²	113	143 Å²	143	69%	0.693	75%	0.752	S	S	*	*			trans	-15.8	126	157.7	8.8	0	0	0	0	119.6
126	R	27.5	Very low	31.3	Very low	194 Å²	194	142.9 Å²	142.9	73%	0.732	74%	0.742	S	S	*	*				36.9	144.7	115.8	-109.6	-179.5	-179.4	168.5	2.5	120	N128	R126-N128 PolarHBondContact NE-OD1 2.77Å; R126-N128 PolarHBondContact NH2-OD1 2.89Å; R126-N128 VanDerWaalsContact NH2-OD1 3.13Å
127	P	32.9	Very low	31.7	Very low	127 Å²	127	139.7 Å²	139.7	83%	0.825	73%	0.734	S	S	*	*				-123.4	169.9	79	36.1	-29.7	0	0	0	115.5
128	N	27.8	Very low	32	Very low	83 Å²	83	139.3 Å²	139.3	44%	0.444	73%	0.725	S	S	.	*			trans	-91.6	162.4	162.8	-73.7	6.6	0	0	0	108.7	R126	R126-N128 PolarHBondContact NE-OD1 2.77Å; R126-N128 PolarHBondContact NH2-OD1 2.89Å; R126-N128 VanDerWaalsContact NH2-OD1 3.13Å
129	D	37.5	Very low	32.4	Very low	168 Å²	168	140.6 Å²	140.6	90%	0.898	72%	0.72	S	S	*	*				-137.4	153.6	128.7	-86.5	-48.8	0	0	0	108.5
130	N	31.1	Very low	33	Very low	128 Å²	128	136.4 Å²	136.4	68%	0.684	70%	0.704	S	S	*	*			trans	-105.3	157.7	179.1	-69.1	-9.7	0	0	0	110
131	D	37.6	Very low	33.3	Very low	134 Å²	134	136.3 Å²	136.3	72%	0.717	70%	0.697	S	S	*	*				-179	131.3	115.5	-93.1	-12.8	0	0	0	112.6
132	N	37.3	Very low	33.7	Very low	129 Å²	129	138 Å²	138	69%	0.69	70%	0.699	S	S	*	*				44.8	136.7	124.7	-44	-26.4	0	0	0	119.7
133	D	35.1	Very low	34.1	Very low	130 Å²	130	139.1 Å²	139.1	70%	0.695	70%	0.702	S	S	*	*			cis	-171.6	-171	-9.7	-146.1	-28.9	0	0	0	110
134	Y	36	Very low	34.4	Very low	200 Å²	200	138.4 Å²	138.4	78%	0.784	70%	0.701	S	S	*	*			trans	72.3	94.6	165.7	-66.2	-70.1	0	0	0	118.9
135	D	36.6	Very low	34.4	Very low	127 Å²	127	134.6 Å²	134.6	68%	0.679	69%	0.69	S	S	*	*				88.2	147.9	54.8	-164.5	29.2	0	0	0	115.7
136	N	37.5	Very low	34.7	Very low	112 Å²	112	139.3 Å²	139.3	60%	0.599	70%	0.701	S	S	*	*			trans	72.2	114.4	173.2	-63.5	-70.9	0	0	0	118.4
137	N	34.7	Very low	34.7	Very low	132 Å²	132	139 Å²	139	71%	0.706	71%	0.708	S	S	*	*				85.4	149	74.1	-71.8	-22.9	0	0	0	112.6
138	D	38.6	Very low	34.7	Very low	119 Å²	119	142.2 Å²	142.2	64%	0.636	71%	0.709	S	S	*	*			cis	-158.9	163.1	13.6	-146.9	3.3	0	0	0	113.4
139	N	36.4	Very low	34.7	Very low	113 Å²	113	145.3 Å²	145.3	60%	0.604	72%	0.724	S	S	*	*			trans	38.5	154.3	143.5	-75.2	-38.9	0	0	0	123
140	H	39	Very low	34.2	Very low	124 Å²	124	144.2 Å²	144.2	57%	0.574	72%	0.717	S	S	*	*			cis	-168.6	157.5	10.6	-128.9	16.8	0	0	0	111.9
141	K	35.6	Very low	34	Very low	159 Å²	159	143.8 Å²	143.8	69%	0.691	72%	0.719	S	S	*	*			trans	42	155.9	135.7	-70.9	179.8	-175.2	152	0	123.4
142	D	33.1	Very low	33.5	Very low	133 Å²	133	146.4 Å²	146.4	71%	0.711	73%	0.727	S	S	*	*			cis	-174.4	172.4	-30.7	-134.4	-44.9	0	0	0	111.1
143	T	35.1	Very low	33.2	Very low	114 Å²	114	145.7 Å²	145.7	70%	0.699	73%	0.732	S	S	*	*			trans	63.1	106.1	156	52	0	0	0	0	123.3
144	E	33	Very low	33	Very low	166 Å²	166	144.5 Å²	144.5	78%	0.776	73%	0.731	S	S	*	*				77.5	124.2	117.2	-66.5	-145.1	158.1	0	0	126.4
145	N	29.6	Very low	32.6	Very low	121 Å²	121	143 Å²	143	65%	0.647	74%	0.737	S	S	*	*				63.1	108.8	129.5	-69.1	-41.8	0	0	0	122.8
146	K	36	Very low	32.3	Very low	213 Å²	213	142.1 Å²	142.1	93%	0.926	74%	0.737	S	S	*	*				-162.3	147.8	116.3	-106.8	149.4	-170.1	163.3	0	113.7
147	Q	28.2	Very low	31.9	Very low	188 Å²	188	145.9 Å²	145.9	88%	0.879	75%	0.75	S	S	*	*			trans	-95	139.9	-179.8	-60.9	163	-29.4	0	0	111.5
148	K	34	Very low	31.8	Very low	194 Å²	194	143.7 Å²	143.7	84%	0.843	74%	0.742	S	S	*	*			trans	-170.4	118.9	137.9	-111.9	172.8	-177.2	-178	0	114.5
149	L	27.2	Very low	31.2	Very low	147 Å²	147	145.1 Å²	145.1	77%	0.77	75%	0.75	S	S	*	*			trans	44.3	132.4	135.6	-101.8	68	0	0	0	122.7
150	I	27.2	Very low	31.1	Very low	146 Å²	146	149.8 Å²	149.8	75%	0.749	76%	0.76	S	S	*	*			trans	92.9	123.2	145.5	-65.4	167.2	0	0	0	117.8
151	T	25.3	Very low	31	Very low	118 Å²	118	151.2 Å²	151.2	72%	0.724	77%	0.771	S	S	*	*			trans	-12.4	131.9	170.9	52.3	0	0	0	0	119.9
152	E	28	Very low	30.9	Very low	189 Å²	189	149.8 Å²	149.8	88%	0.883	77%	0.771	S	S	*	*				-160.5	176.9	104	-104.6	162.8	-161.2	0	0	110.8
153	S	30.6	Very low	31.1	Very low	115 Å²	115	149.2 Å²	149.2	80%	0.804	77%	0.768	S	S	*	*			trans	-73.9	155	-170.4	-54.2	0	0	0	0	114.2
154	P	31.4	Very low	31.2	Very low	104 Å²	104	146.4 Å²	146.4	68%	0.675	75%	0.753	S	S	*	*			trans	-120.4	128.3	149.8	34.5	-23.6	0	0	0	112
155	D	27.2	Very low	31.5	Very low	168 Å²	168	144 Å²	144	90%	0.898	75%	0.745	S	S	*	*			trans	-68.2	124.6	154.2	-64.3	-74.6	0	0	0	108.1
156	T	31.5	Very low	32	Very low	110 Å²	110	142.9 Å²	142.9	68%	0.675	74%	0.736	S	S	*	*			trans	-105.5	92.2	-179.8	-48.7	0	0	0	0	110.2	V158	T156-V158 HydrophobicContact CG2-CG2 3.84Å
157	E	27.6	Very low	32	Very low	190 Å²	190	135.3 Å²	135.3	89%	0.888	71%	0.714	S	S	*	*			trans	-64.5	125.4	162.2	-167	162	-135.6	0	0	108.5
158	V	32.3	Very low	32.6	Very low	87 Å²	87	129.4 Å²	129.4	53%	0.527	69%	0.69	S	S	.	*			trans	-119.5	100.3	-176.7	-176.5	0	0	0	0	109.8	T156 Y160	T156-V158 HydrophobicContact CG2-CG2 3.84Å; V158-Y160 HydrophobicContact CB-CE2 4.25Å; V158-Y160 HydrophobicContact CG1-CD2 4.01Å; V158-Y160 HydrophobicContact CG1-CE2 3.53Å; V158-Y160 PolarHBondContact O-N 3.03Å
159	D	27.5	Very low	33	Very low	149 Å²	149	125.2 Å²	125.2	80%	0.797	68%	0.677	S	S	*	*			trans	-59	119.9	170.2	-88.5	-44.5	0	0	0	111.3
160	Y	34.5	Very low	33.9	Very low	211 Å²	211	125.3 Å²	125.3	83%	0.827	67%	0.667	S	S	*	*			trans	-105.7	84.4	165	-82.2	-83.8	0	0	0	109.2	V158	V158-Y160 HydrophobicContact CB-CE2 4.25Å; V158-Y160 HydrophobicContact CG1-CD2 4.01Å; V158-Y160 HydrophobicContact CG1-CE2 3.53Å; V158-Y160 PolarHBondContact O-N 3.03Å
161	L	36.8	Very low	34.5	Very low	154 Å²	154	121.1 Å²	121.1	81%	0.806	65%	0.646	S	S	*	*			trans	-61.9	155.6	174.3	-87	167	0	0	0	112.6
162	D	32.2	Very low	35.5	Very low	128 Å²	128	122.2 Å²	122.2	68%	0.684	64%	0.64	S	S	*	*			trans	-60.3	144.9	-157.2	-148.6	-30.5	0	0	0	115	S164	D162-S164 WeakPolarHBondContact OD1-CB 3.19Å; D162-S164 PolarHBondContact OD1-N 3.08Å
163	N	36.8	Very low	36.4	Very low	122 Å²	122	118 Å²	118	65%	0.652	62%	0.624	S	S	*	*			trans	-150.9	31.8	169.8	-105.9	-82	0	0	0	111.1	D165	N163-D165 VanDerWaalsContact C-N 3.28Å; N163-D165 PolarHBondContact O-N 3.25Å
164	S	38.3	Very low	36.9	Very low	55 Å²	55	116.1 Å²	116.1	39%	0.385	61%	0.611	S	S	.	*	H	α-helix	trans	-41.4	-50.8	178.5	160	0	0	0	0	113.5	D162 A167 T168	D162-S164 WeakPolarHBondContact OD1-CB 3.19Å; D162-S164 PolarHBondContact OD1-N 3.08Å; S164-A167 PolarHBondContact O-N 2.74Å; S164-T168 WeakPolarHBondContact O-CB 3.23Å; S164-T168 PolarHBondContact O-N 3.13Å; S164-T168 PolarHBondContact O-OG1 3.43Å
165	D	39.5	Very low	37.4	Very low	115 Å²	115	113.8 Å²	113.8	62%	0.615	59%	0.59	S	S	*	*	H	α-helix	trans	-82.7	-38.9	-155.9	-65.6	-0.5	0	0	0	112.6	N163 T168 L169	N163-D165 VanDerWaalsContact C-N 3.28Å; N163-D165 PolarHBondContact O-N 3.25Å; D165-T168 PolarHBondContact O-N 2.9Å; D165-L169 WeakPolarHBondContact O-CG 3.31Å; D165-L169 PolarHBondContact O-N 3.01Å
166	E	39	Very low	38.3	Very low	98 Å²	98	111 Å²	111	46%	0.458	57%	0.57	S	S	.	*	H	α-helix	trans	-71.5	-33.1	173.9	-171.1	171.6	-161.6	0	0	111.8	T168 L169 R170	E166-T168 VanDerWaalsContact C-N 3.32Å; E166-L169 PolarHBondContact O-N 3.49Å; E166-R170 VanDerWaalsContact CD-NH2 3.32Å; E166-R170 HydrophobicContact CG-CG 4.36Å; E166-R170 WeakPolarHBondContact O-CG 3.18Å; E166-R170 PolarHBondContact O-N 2.77Å; E166-R170 IonicContact OE1-CZ 2.7Å; E166-R170 IonicContact OE1-NE 3.61Å; E166-R170 PolarHBondContact OE1-NE 2.87Å; E166-R170 IonicContact OE1-NH2 3.79Å; E166-R170 PolarHBondContact OE1-NH2 3.09Å; E166-R170 IonicContact OE2-NH2 3.93Å
167	A	37.1	Very low	39.1	Very low	54 Å²	54	109 Å²	109	45%	0.446	56%	0.558	S	S	.	*	H	α-helix	trans	-62.2	-42.3	170.6	0	0	0	0	0	111.2	S164 R170 L171	S164-A167 PolarHBondContact O-N 2.74Å; A167-R170 PolarHBondContact O-N 3.11Å; A167-L171 WeakPolarHBondContact O-CB 3.49Å; A167-L171 WeakPolarHBondContact O-CG 3.31Å; A167-L171 PolarHBondContact O-N 3.28Å
168	T	41.3	Very low	39.7	Very low	63 Å²	63	106.5 Å²	106.5	39%	0.387	54%	0.541	S	S	.	.	H	α-helix	trans	-66.1	-39.3	177.8	-61.2	0	0	0	0	112.3	S164 D165 E166 K172	S164-T168 WeakPolarHBondContact O-CB 3.23Å; S164-T168 PolarHBondContact O-N 3.13Å; S164-T168 PolarHBondContact O-OG1 3.43Å; D165-T168 PolarHBondContact O-N 2.9Å; E166-T168 VanDerWaalsContact C-N 3.32Å; T168-K172 WeakPolarHBondContact O-CG 3.42Å; T168-K172 PolarHBondContact O-N 3.43Å
169	L	42.6	Very low	40.2	Very low	107 Å²	107	107.6 Å²	107.6	56%	0.56	54%	0.54	S	S	*	.	H	α-helix	trans	-63.6	-49.3	173.8	-77.8	163.6	0	0	0	112.2	D165 E166 L171 K172 D173	D165-L169 WeakPolarHBondContact O-CG 3.31Å; D165-L169 PolarHBondContact O-N 3.01Å; E166-L169 PolarHBondContact O-N 3.49Å; L169-L171 VanDerWaalsContact C-N 3.29Å; L169-L171 PolarHBondContact O-N 3.36Å; L169-K172 WeakPolarHBondContact O-CB 3.49Å; L169-K172 PolarHBondContact O-N 3.11Å; L169-K172 VanDerWaalsContact O-N 3.08Å; L169-D173 PolarHBondContact O-N 2.88Å
170	R	44.9	Very low	41	Very low	148 Å²	148	105.1 Å²	105.1	56%	0.558	52%	0.524	S	S	*	.	H	α-helix	trans	-67.8	-28.8	-179.4	-66.2	174.6	-178.6	-158.7	5.6	112.9	E166 A167 S174	E166-R170 VanDerWaalsContact CD-NH2 3.32Å; E166-R170 HydrophobicContact CG-CG 4.36Å; E166-R170 WeakPolarHBondContact O-CG 3.18Å; E166-R170 PolarHBondContact O-N 2.77Å; E166-R170 IonicContact OE1-CZ 2.7Å; E166-R170 IonicContact OE1-NE 3.61Å; E166-R170 PolarHBondContact OE1-NE 2.87Å; E166-R170 IonicContact OE1-NH2 3.79Å; E166-R170 PolarHBondContact OE1-NH2 3.09Å; E166-R170 IonicContact OE2-NH2 3.93Å; A167-R170 PolarHBondContact O-N 3.11Å; R170-S174 PolarHBondContact O-N 2.86Å; R170-S174 VanDerWaalsContact O-N 3.14Å; R170-S174 PolarHBondContact O-OG 2.93Å
171	L	40	Very low	41.2	Very low	59 Å²	59	103.1 Å²	103.1	31%	0.309	52%	0.515	S	S	.	.	H	α-helix	trans	-67.8	-44.1	168.3	-78.6	167.8	0	0	0	111.5	A167 L169 D173 S174 F175	A167-L171 WeakPolarHBondContact O-CB 3.49Å; A167-L171 WeakPolarHBondContact O-CG 3.31Å; A167-L171 PolarHBondContact O-N 3.28Å; L169-L171 VanDerWaalsContact C-N 3.29Å; L169-L171 PolarHBondContact O-N 3.36Å; L171-D173 VanDerWaalsContact C-N 3.34Å; L171-D173 PolarHBondContact O-N 3.18Å; L171-S174 PolarHBondContact O-N 3.26Å; L171-F175 WeakPolarHBondContact O-CD2 3.44Å; L171-F175 PolarHBondContact O-N 2.86Å
172	K	46.1	Very low	41.2	Very low	141 Å²	141	100.4 Å²	100.4	61%	0.613	50%	0.498	S	S	*	.	H	α-helix	trans	-57.4	-43.3	174.3	-78.2	175	177.4	177.1	0	112.2	T168 L169 F175 K176	T168-K172 WeakPolarHBondContact O-CG 3.42Å; T168-K172 PolarHBondContact O-N 3.43Å; L169-K172 WeakPolarHBondContact O-CB 3.49Å; L169-K172 PolarHBondContact O-N 3.11Å; L169-K172 VanDerWaalsContact O-N 3.08Å; K172-F175 PolarHBondContact O-N 3.25Å; K172-K176 WeakPolarHBondContact O-CB 3.41Å; K172-K176 PolarHBondContact O-N 3.45Å
173	D	47.5	Very low	41.5	Very low	100 Å²	100	102.6 Å²	102.6	54%	0.535	50%	0.502	S	S	.	.	H	α-helix	trans	-67.4	-35.8	176.8	-77.9	-28.3	0	0	0	113.2	L169 L171 K176 T177	L169-D173 PolarHBondContact O-N 2.88Å; L171-D173 VanDerWaalsContact C-N 3.34Å; L171-D173 PolarHBondContact O-N 3.18Å; D173-K176 PolarHBondContact O-N 3.26Å; D173-T177 WeakPolarHBondContact O-CB 3.49Å; D173-T177 PolarHBondContact O-N 2.99Å; D173-T177 PolarHBondContact O-OG1 3.17Å
174	S	40.1	Very low	41.3	Very low	76 Å²	76	105.1 Å²	105.1	53%	0.531	50%	0.503	S	S	.	.	H	α-helix	trans	-67.5	-40.8	174.2	-59	0	0	0	0	111.5	R170 L171 T177 Y178	R170-S174 PolarHBondContact O-N 2.86Å; R170-S174 VanDerWaalsContact O-N 3.14Å; R170-S174 PolarHBondContact O-OG 2.93Å; L171-S174 PolarHBondContact O-N 3.26Å; S174-T177 WeakPolarHBondContact O-CB 3.43Å; S174-T177 PolarHBondContact O-N 3.28Å; S174-Y178 PolarHBondContact O-N 3.22Å
175	F	42.3	Very low	41	Very low	55 Å²	55	110.3 Å²	110.3	24%	0.241	52%	0.519	C	S	.	.	H	α-helix	trans	-66.1	-41.1	172.9	-94	-79.9	0	0	0	112.6	L171 K172 T177 Y178 E179 H527 Y528	L171-F175 WeakPolarHBondContact O-CD2 3.44Å; L171-F175 PolarHBondContact O-N 2.86Å; K172-F175 PolarHBondContact O-N 3.25Å; F175-T177 VanDerWaalsContact C-N 3.29Å; F175-T177 PolarHBondContact O-N 2.96Å; F175-Y178 CarbonylContact O-C 3.53Å; F175-Y178 WeakPolarHBondContact O-CA 3.48Å; F175-Y178 WeakPolarHBondContact O-CB 3.26Å; F175-Y178 PolarHBondContact O-N 2.97Å; F175-E179 PolarHBondContact O-N 3.46Å; F175-H527 AromaticContact CE2-CE1 3.41Å; F175-H527 VanDerWaalsContact CE2-CE1 3.41Å; F175-H527 WeakPolarHBondContact CE2-CE1 3.47Å; F175-H527 AromaticContact CE2-NE2 3.61Å; F175-H527 AromaticContact CZ-CE1 3.73Å; F175-Y528 WeakPolarHBondContact CE1-OH 3.26Å; F175-Y528 WeakPolarHBondContact CZ-OH 3.45Å
176	K	47	Very low	40.6	Very low	110 Å²	110	106.3 Å²	106.3	48%	0.478	50%	0.5	S	S	.	.	H	α-helix	trans	-60.5	-40.9	172.7	-173	-178.1	176.2	-170.4	0	111.3	K172 D173 Y178 E179 E180	K172-K176 WeakPolarHBondContact O-CB 3.41Å; K172-K176 PolarHBondContact O-N 3.45Å; D173-K176 PolarHBondContact O-N 3.26Å; K176-Y178 PolarHBondContact O-N 3.23Å; K176-E179 PolarHBondContact O-N 3.22Å; K176-E180 WeakPolarHBondContact CE-OE1 3.22Å; K176-E180 HydrophobicContact CG-CG 4.46Å; K176-E180 VanDerWaalsContact O-CB 3.29Å; K176-E180 WeakPolarHBondContact O-CB 3.44Å; K176-E180 VanDerWaalsContact O-CG 3.31Å; K176-E180 WeakPolarHBondContact O-CG 3.22Å; K176-E180 PolarHBondContact O-N 3.44Å
177	T	47.1	Very low	40.4	Very low	68 Å²	68	109.9 Å²	109.9	42%	0.417	52%	0.521	S	S	.	.	H	α-helix	trans	-64.1	-27.8	173.5	-55.6	0	0	0	0	112.5	D173 S174 F175 R181	D173-T177 WeakPolarHBondContact O-CB 3.49Å; D173-T177 PolarHBondContact O-N 2.99Å; D173-T177 PolarHBondContact O-OG1 3.17Å; S174-T177 WeakPolarHBondContact O-CB 3.43Å; S174-T177 PolarHBondContact O-N 3.28Å; F175-T177 VanDerWaalsContact C-N 3.29Å; F175-T177 PolarHBondContact O-N 2.96Å; T177-R181 WeakPolarHBondContact O-CD 3.29Å; T177-R181 WeakPolarHBondContact O-CG 3.42Å; T177-R181 PolarHBondContact O-N 3.43Å
178	Y	41.1	Very low	40.1	Very low	136 Å²	136	112.2 Å²	112.2	53%	0.533	52%	0.524	S	S	.	.	H	α-helix	trans	-78.9	-44.3	173.5	179	-97.9	0	0	0	112.2	S174 F175 K176 R181 Q182	S174-Y178 PolarHBondContact O-N 3.22Å; F175-Y178 CarbonylContact O-C 3.53Å; F175-Y178 WeakPolarHBondContact O-CA 3.48Å; F175-Y178 WeakPolarHBondContact O-CB 3.26Å; F175-Y178 PolarHBondContact O-N 2.97Å; K176-Y178 PolarHBondContact O-N 3.23Å; Y178-R181 CarbonylContact O-C 3.45Å; Y178-R181 WeakPolarHBondContact O-CA 3.31Å; Y178-R181 WeakPolarHBondContact O-CB 3.45Å; Y178-R181 PolarHBondContact O-N 3.5Å; Y178-Q182 HydrophobicContact CE1-CG 4.3Å; Y178-Q182 VanDerWaalsContact CZ-NE2 3.32Å; Y178-Q182 PolarHBondContact O-N 3.07Å; Y178-Q182 PolarHBondContact OH-NE2 2.7Å
179	E	42.9	Very low	39.7	Very low	110 Å²	110	117.3 Å²	117.3	51%	0.514	54%	0.544	S	S	.	.	H	α-helix	trans	-63.7	-41.5	174.7	-72	175.5	-171.4	0	0	111.8	F175 K176 R181 Q182 K183	F175-E179 PolarHBondContact O-N 3.46Å; K176-E179 PolarHBondContact O-N 3.22Å; E179-R181 PolarHBondContact O-N 2.92Å; E179-Q182 WeakPolarHBondContact O-CB 3.35Å; E179-Q182 PolarHBondContact O-N 2.97Å; E179-Q182 VanDerWaalsContact O-N 3.07Å; E179-K183 PolarHBondContact O-N 2.97Å
180	E	44.4	Very low	39.5	Very low	97 Å²	97	117.7 Å²	117.7	45%	0.453	55%	0.547	S	S	.	.	H	α-helix	trans	-63.5	-25.1	171.7	-73.7	178.4	-178	0	0	112.3	K176 K183 Y184	K176-E180 WeakPolarHBondContact CE-OE1 3.22Å; K176-E180 HydrophobicContact CG-CG 4.46Å; K176-E180 VanDerWaalsContact O-CB 3.29Å; K176-E180 WeakPolarHBondContact O-CB 3.44Å; K176-E180 VanDerWaalsContact O-CG 3.31Å; K176-E180 WeakPolarHBondContact O-CG 3.22Å; K176-E180 PolarHBondContact O-N 3.44Å; E180-K183 WeakPolarHBondContact O-CB 3.18Å; E180-K183 PolarHBondContact O-N 3.45Å; E180-Y184 VanDerWaalsContact O-CD2 3.26Å; E180-Y184 WeakPolarHBondContact O-CD2 3.41Å; E180-Y184 VanDerWaalsContact O-CE2 3.31Å; E180-Y184 WeakPolarHBondContact O-CE2 3.45Å
181	R	39	Very low	39	Very low	170 Å²	170	112.2 Å²	112.2	64%	0.642	53%	0.53	S	S	*	.	H	α-helix	trans	-77.2	-34.8	169.8	-74.7	169.3	-170.4	-140	3.7	113	T177 Y178 E179 K183 Y184	T177-R181 WeakPolarHBondContact O-CD 3.29Å; T177-R181 WeakPolarHBondContact O-CG 3.42Å; T177-R181 PolarHBondContact O-N 3.43Å; Y178-R181 CarbonylContact O-C 3.45Å; Y178-R181 WeakPolarHBondContact O-CA 3.31Å; Y178-R181 WeakPolarHBondContact O-CB 3.45Å; Y178-R181 PolarHBondContact O-N 3.5Å; E179-R181 PolarHBondContact O-N 2.92Å; R181-K183 PolarHBondContact O-N 3.02Å; R181-Y184 PolarHBondContact O-N 2.98Å
182	Q	36.4	Very low	39	Very low	96 Å²	96	112 Å²	112	45%	0.449	53%	0.532	S	S	.	.	H	α-helix	trans	-65.6	-27.9	169	-60	-61.3	-18.5	0	0	111.9	Y178 E179 Y184	Y178-Q182 HydrophobicContact CE1-CG 4.3Å; Y178-Q182 VanDerWaalsContact CZ-NE2 3.32Å; Y178-Q182 PolarHBondContact O-N 3.07Å; Y178-Q182 PolarHBondContact OH-NE2 2.7Å; E179-Q182 WeakPolarHBondContact O-CB 3.35Å; E179-Q182 PolarHBondContact O-N 2.97Å; E179-Q182 VanDerWaalsContact O-N 3.07Å; Q182-Y184 PolarHBondContact O-N 3.28Å
183	K	38.5	Very low	38.3	Very low	174 Å²	174	108.7 Å²	108.7	76%	0.757	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.7	179.5	-146.9	168.5	-170.6	171.4	0	113.9	E179 E180 R181 K185	E179-K183 PolarHBondContact O-N 2.97Å; E180-K183 WeakPolarHBondContact O-CB 3.18Å; E180-K183 PolarHBondContact O-N 3.45Å; R181-K183 PolarHBondContact O-N 3.02Å; K183-K185 PolarHBondContact O-N 3.05Å
184	Y	31.1	Very low	37.7	Very low	176 Å²	176	109.5 Å²	109.5	69%	0.69	52%	0.517	S	S	*	.	S	Bend	trans	-74.6	70.8	164.5	-63.9	-88.1	0	0	0	110.2	E180 R181 Q182 S186 L193	E180-Y184 VanDerWaalsContact O-CD2 3.26Å; E180-Y184 WeakPolarHBondContact O-CD2 3.41Å; E180-Y184 VanDerWaalsContact O-CE2 3.31Å; E180-Y184 WeakPolarHBondContact O-CE2 3.45Å; R181-Y184 PolarHBondContact O-N 2.98Å; Q182-Y184 PolarHBondContact O-N 3.28Å; Y184-S186 PolarHBondContact O-N 3.36Å; Y184-L193 WeakPolarHBondContact O-CD1 2.79Å; Y184-L193 VanDerWaalsContact O-CD2 3.31Å; Y184-L193 WeakPolarHBondContact O-CD2 3.41Å
185	K	33.1	Very low	37.4	Very low	163 Å²	163	108.3 Å²	108.3	71%	0.709	50%	0.503	S	S	*	.			trans	-49	131.8	168.3	-83.5	-171.7	172.3	-176.2	0	109.2	K183 I187	K183-K185 PolarHBondContact O-N 3.05Å; K185-I187 PolarHBondContact O-N 2.81Å
186	S	30.5	Very low	37.1	Very low	31 Å²	31	108 Å²	108	22%	0.217	50%	0.503	C	S	.	.			trans	-56.4	133	177.9	176.8	0	0	0	0	109.8	Y184 I188	Y184-S186 PolarHBondContact O-N 3.36Å; S186-I188 VanDerWaalsContact CB-O 3.23Å; S186-I188 WeakPolarHBondContact CB-O 3.34Å; S186-I188 PolarHBondContact O-N 2.81Å; S186-I188 PolarHBondContact OG-N 3.34Å; S186-I188 VanDerWaalsContact OG-N 3.11Å; S186-I188 PolarHBondContact OG-O 3.34Å
187	I	35.4	Very low	36.4	Very low	174 Å²	174	110.5 Å²	110.5	89%	0.892	51%	0.511	S	S	*	.	S	Bend	trans	-67.5	-15.7	172.7	-68.6	172.2	0	0	0	110.7	K185	K185-I187 PolarHBondContact O-N 2.81Å
188	I	31.4	Very low	36.1	Very low	103 Å²	103	108.2 Å²	108.2	53%	0.528	50%	0.496	S	S	.	.	S	Bend	trans	-98.9	114.9	169.7	-56.4	167.9	0	0	0	107.7	S186 D190	S186-I188 VanDerWaalsContact CB-O 3.23Å; S186-I188 WeakPolarHBondContact CB-O 3.34Å; S186-I188 PolarHBondContact O-N 2.81Å; S186-I188 PolarHBondContact OG-N 3.34Å; S186-I188 VanDerWaalsContact OG-N 3.11Å; S186-I188 PolarHBondContact OG-O 3.34Å; I188-D190 VanDerWaalsContact C-N 3.31Å; I188-D190 PolarHBondContact O-N 3.03Å
189	Q	32.5	Very low	35.7	Very low	169 Å²	169	106.1 Å²	106.1	79%	0.79	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.1	-167	-68.4	179.5	-57.3	0	0	114.5
190	D	37.7	Very low	35.5	Very low	116 Å²	116	108 Å²	108	62%	0.62	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	14.8	-171.2	-58.2	-70.2	0	0	0	114.6	I188	I188-D190 VanDerWaalsContact C-N 3.31Å; I188-D190 PolarHBondContact O-N 3.03Å
191	T	35.2	Very low	35.2	Very low	33 Å²	33	105 Å²	105	20%	0.202	49%	0.49	C	S	.	.	S	Bend	trans	-133.8	108	-173.5	-44.3	0	0	0	0	111.6	L193 Q195 I196	T191-L193 PolarHBondContact O-N 3.01Å; T191-Q195 HydrophobicContact CG2-CB 3.62Å; T191-I196 HydrophobicContact CG2-CD1 4.49Å; T191-I196 HydrophobicContact CG2-CG1 3.92Å
192	P	39.3	Very low	35.2	Very low	55 Å²	55	97.1 Å²	97.1	36%	0.357	46%	0.461	S	S	.	.			trans	-54.6	136.5	169.3	20.7	-34	0	0	0	111.2	Y194 Q195	P192-Y194 PolarHBondContact O-N 2.9Å; P192-Q195 VanDerWaalsContact CD-OE1 3.28Å; P192-Q195 HydrophobicContact CG-CB 4.38Å; P192-Q195 HydrophobicContact CG-CG 4.4Å; P192-Q195 WeakPolarHBondContact O-CB 3.48Å; P192-Q195 PolarHBondContact O-N 2.82Å
193	L	31.6	Very low	35.4	Very low	70 Å²	70	96.1 Å²	96.1	37%	0.366	46%	0.458	S	S	.	.	H	α-helix	trans	-52.9	-31.6	-171.2	-90.8	85.3	0	0	0	114.8	Y184 T191 Q195 I196	Y184-L193 WeakPolarHBondContact O-CD1 2.79Å; Y184-L193 VanDerWaalsContact O-CD2 3.31Å; Y184-L193 WeakPolarHBondContact O-CD2 3.41Å; T191-L193 PolarHBondContact O-N 3.01Å; L193-Q195 VanDerWaalsContact C-N 3.27Å; L193-Q195 PolarHBondContact O-N 2.77Å; L193-I196 PolarHBondContact O-N 3.2Å
194	Y	35.3	Very low	35.6	Very low	117 Å²	117	89.6 Å²	89.6	46%	0.459	43%	0.434	S	S	.	.	H	α-helix	trans	-63.9	-32.7	177.7	-161.7	-109.1	0	0	0	112.3	P192 I196 Y197 T198	P192-Y194 PolarHBondContact O-N 2.9Å; Y194-I196 VanDerWaalsContact C-N 3.32Å; Y194-I196 PolarHBondContact O-N 3.14Å; Y194-Y197 PolarHBondContact O-N 3.02Å; Y194-Y197 VanDerWaalsContact O-N 3.08Å; Y194-T198 HydrophobicContact CD1-CG2 3.61Å; Y194-T198 HydrophobicContact CE1-CG2 3.3Å; Y194-T198 HydrophobicContact CG-CG2 4.42Å; Y194-T198 PolarHBondContact O-N 3.33Å; Y194-T198 PolarHBondContact O-OG1 3.42Å
195	Q	34.4	Very low	36.1	Very low	52 Å²	52	84.2 Å²	84.2	24%	0.243	42%	0.415	C	S	.	.	H	α-helix	trans	-60.4	-39	175.6	-103.7	175.1	-19.7	0	0	111.9	T191 P192 L193 Y197 T198 E199	T191-Q195 HydrophobicContact CG2-CB 3.62Å; P192-Q195 VanDerWaalsContact CD-OE1 3.28Å; P192-Q195 HydrophobicContact CG-CB 4.38Å; P192-Q195 HydrophobicContact CG-CG 4.4Å; P192-Q195 WeakPolarHBondContact O-CB 3.48Å; P192-Q195 PolarHBondContact O-N 2.82Å; L193-Q195 VanDerWaalsContact C-N 3.27Å; L193-Q195 PolarHBondContact O-N 2.77Å; Q195-Y197 VanDerWaalsContact C-N 3.26Å; Q195-Y197 PolarHBondContact O-N 3.01Å; Q195-T198 WeakPolarHBondContact CA-OG1 3.47Å; Q195-T198 CarbonylContact O-C 3.58Å; Q195-T198 PolarHBondContact O-N 3.45Å; Q195-T198 PolarHBondContact O-OG1 3.1Å; Q195-E199 WeakPolarHBondContact O-CA 3.41Å; Q195-E199 WeakPolarHBondContact O-CB 3.4Å; Q195-E199 PolarHBondContact O-N 2.89Å
196	I	35.2	Very low	36.5	Very low	49 Å²	49	78 Å²	78	25%	0.251	39%	0.392	S	S	.	.	H	α-helix	trans	-67.2	-30	177.1	-60.3	172	0	0	0	111.2	T191 L193 Y194 K200	T191-I196 HydrophobicContact CG2-CD1 4.49Å; T191-I196 HydrophobicContact CG2-CG1 3.92Å; L193-I196 PolarHBondContact O-N 3.2Å; Y194-I196 VanDerWaalsContact C-N 3.32Å; Y194-I196 PolarHBondContact O-N 3.14Å; I196-K200 WeakPolarHBondContact O-CG 3.5Å; I196-K200 PolarHBondContact O-N 3.41Å; I196-K200 VanDerWaalsContact O-N 3.13Å
197	Y	31.8	Very low	37.2	Very low	162 Å²	162	83.6 Å²	83.6	64%	0.635	41%	0.409	S	S	*	.	H	α-helix	trans	-76.8	-43.9	175	-158.8	-89.2	0	0	0	111.6	Y194 Q195 E199 K200 A201	Y194-Y197 PolarHBondContact O-N 3.02Å; Y194-Y197 VanDerWaalsContact O-N 3.08Å; Q195-Y197 VanDerWaalsContact C-N 3.26Å; Q195-Y197 PolarHBondContact O-N 3.01Å; Y197-E199 VanDerWaalsContact C-N 3.29Å; Y197-E199 PolarHBondContact O-N 3.02Å; Y197-K200 PolarHBondContact O-N 3.44Å; Y197-A201 PolarHBondContact O-N 2.64Å
198	T	40.3	Very low	37.6	Very low	19 Å²	19	78.4 Å²	78.4	12%	0.117	38%	0.378	C	S	.	.	H	α-helix	trans	-71.8	-21.1	174.6	58.2	0	0	0	0	113.1	Y194 Q195 S202	Y194-T198 HydrophobicContact CD1-CG2 3.61Å; Y194-T198 HydrophobicContact CE1-CG2 3.3Å; Y194-T198 HydrophobicContact CG-CG2 4.42Å; Y194-T198 PolarHBondContact O-N 3.33Å; Y194-T198 PolarHBondContact O-OG1 3.42Å; Q195-T198 WeakPolarHBondContact CA-OG1 3.47Å; Q195-T198 CarbonylContact O-C 3.58Å; Q195-T198 PolarHBondContact O-N 3.45Å; Q195-T198 PolarHBondContact O-OG1 3.1Å; T198-S202 VanDerWaalsContact O-CB 3.25Å; T198-S202 WeakPolarHBondContact O-CB 3.41Å; T198-S202 PolarHBondContact O-N 3.08Å; T198-S202 PolarHBondContact O-OG 2.91Å
199	E	33.9	Very low	38.2	Very low	92 Å²	92	74.3 Å²	74.3	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-75.7	-42.3	171.6	179.8	-174	-154.1	0	0	110.3	Q195 Y197 A201 S202 I203	Q195-E199 WeakPolarHBondContact O-CA 3.41Å; Q195-E199 WeakPolarHBondContact O-CB 3.4Å; Q195-E199 PolarHBondContact O-N 2.89Å; Y197-E199 VanDerWaalsContact C-N 3.29Å; Y197-E199 PolarHBondContact O-N 3.02Å; E199-A201 PolarHBondContact O-N 3.14Å; E199-S202 WeakPolarHBondContact CA-OG 3.22Å; E199-S202 PolarHBondContact O-N 3.47Å; E199-S202 PolarHBondContact O-OG 3.08Å; E199-I203 HydrophobicContact CG-CD1 3.66Å; E199-I203 HydrophobicContact CG-CG1 4.19Å; E199-I203 WeakPolarHBondContact O-CB 3.42Å; E199-I203 WeakPolarHBondContact O-CG1 3.47Å; E199-I203 PolarHBondContact O-N 2.92Å
200	K	39.4	Very low	38.7	Very low	149 Å²	149	68.1 Å²	68.1	65%	0.648	34%	0.335	S	S	*	.	H	α-helix	trans	-61.6	-37	168.7	-75	174	-177.2	175.3	0	111.5	I196 Y197 S204	I196-K200 WeakPolarHBondContact O-CG 3.5Å; I196-K200 PolarHBondContact O-N 3.41Å; I196-K200 VanDerWaalsContact O-N 3.13Å; Y197-K200 PolarHBondContact O-N 3.44Å; K200-S204 VanDerWaalsContact O-CB 3.31Å; K200-S204 WeakPolarHBondContact O-CB 3.44Å; K200-S204 PolarHBondContact O-N 3.29Å; K200-S204 VanDerWaalsContact O-N 3.14Å; K200-S204 PolarHBondContact O-OG 3.01Å
201	A	38	Very low	39.1	Very low	35 Å²	35	71.6 Å²	71.6	29%	0.289	34%	0.339	S	S	.	.	H	α-helix	trans	-65.2	-52.1	171.6	0	0	0	0	0	111.8	Y197 E199 S204 E205	Y197-A201 PolarHBondContact O-N 2.64Å; E199-A201 PolarHBondContact O-N 3.14Å; A201-S204 CarbonylContact O-C 3.51Å; A201-S204 WeakPolarHBondContact O-CA 3.39Å; A201-S204 WeakPolarHBondContact O-CB 3.33Å; A201-S204 PolarHBondContact O-N 3.12Å; A201-S204 PolarHBondContact O-OG 3.34Å; A201-E205 WeakPolarHBondContact O-CG 3.42Å; A201-E205 PolarHBondContact O-N 3.06Å
202	S	38	Very low	39.4	Very low	5 Å²	5	73.4 Å²	73.4	4%	0.035	34%	0.342	C	S	.	.	H	α-helix	trans	-69.1	-37.8	-176.2	69.7	0	0	0	0	112.8	T198 E199 S204 E205 S206 L509	T198-S202 VanDerWaalsContact O-CB 3.25Å; T198-S202 WeakPolarHBondContact O-CB 3.41Å; T198-S202 PolarHBondContact O-N 3.08Å; T198-S202 PolarHBondContact O-OG 2.91Å; E199-S202 WeakPolarHBondContact CA-OG 3.22Å; E199-S202 PolarHBondContact O-N 3.47Å; E199-S202 PolarHBondContact O-OG 3.08Å; S202-S204 PolarHBondContact O-N 2.9Å; S202-E205 CarbonylContact O-C 3.57Å; S202-E205 PolarHBondContact O-N 2.88Å; S202-S206 WeakPolarHBondContact O-CB 3.36Å; S202-S206 PolarHBondContact O-N 2.82Å; S202-S206 PolarHBondContact O-OG 3.23Å; S202-S206 VanDerWaalsContact O-OG 3.05Å; S202-L509 VanDerWaalsContact CB-CD1 3.46Å
203	I	40.6	Very low	39.4	Very low	74 Å²	74	71.4 Å²	71.4	38%	0.379	33%	0.329	S	S	.	.	H	α-helix	trans	-63	-34	169.6	-67.9	173.1	0	0	0	110.1	E199 R207	E199-I203 HydrophobicContact CG-CD1 3.66Å; E199-I203 HydrophobicContact CG-CG1 4.19Å; E199-I203 WeakPolarHBondContact O-CB 3.42Å; E199-I203 WeakPolarHBondContact O-CG1 3.47Å; E199-I203 PolarHBondContact O-N 2.92Å; I203-R207 WeakPolarHBondContact O-CB 3.37Å; I203-R207 WeakPolarHBondContact O-CD 3.4Å; I203-R207 WeakPolarHBondContact O-CG 3.29Å; I203-R207 PolarHBondContact O-N 3.26Å; I203-R207 VanDerWaalsContact O-N 3.1Å
204	S	42	Very low	39.6	Very low	37 Å²	37	74.5 Å²	74.5	26%	0.259	35%	0.345	S	S	.	.	H	α-helix	trans	-71.6	-36.9	172.9	82.5	0	0	0	0	112.6	K200 A201 S202 R207 R208	K200-S204 VanDerWaalsContact O-CB 3.31Å; K200-S204 WeakPolarHBondContact O-CB 3.44Å; K200-S204 PolarHBondContact O-N 3.29Å; K200-S204 VanDerWaalsContact O-N 3.14Å; K200-S204 PolarHBondContact O-OG 3.01Å; A201-S204 CarbonylContact O-C 3.51Å; A201-S204 WeakPolarHBondContact O-CA 3.39Å; A201-S204 WeakPolarHBondContact O-CB 3.33Å; A201-S204 PolarHBondContact O-N 3.12Å; A201-S204 PolarHBondContact O-OG 3.34Å; S202-S204 PolarHBondContact O-N 2.9Å; S204-R207 PolarHBondContact O-N 2.96Å; S204-R208 VanDerWaalsContact O-CG 3.26Å; S204-R208 WeakPolarHBondContact O-CG 3.19Å; S204-R208 PolarHBondContact O-N 3.45Å; S204-R208 PolarHBondContact OG-NH1 3.38Å; S204-R208 PolarHBondContact OG-NH2 3.29Å
205	E	41.9	Very low	39.5	Very low	63 Å²	63	72.9 Å²	72.9	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-70.7	-53.1	176.7	-70	175.1	160.6	0	0	111.4	A201 S202 R207 R208 D209	A201-E205 WeakPolarHBondContact O-CG 3.42Å; A201-E205 PolarHBondContact O-N 3.06Å; S202-E205 CarbonylContact O-C 3.57Å; S202-E205 PolarHBondContact O-N 2.88Å; E205-R207 PolarHBondContact O-N 2.78Å; E205-R207 VanDerWaalsContact O-N 3.11Å; E205-R208 CarbonylContact O-C 3.57Å; E205-R208 WeakPolarHBondContact O-CA 3.49Å; E205-R208 VanDerWaalsContact O-CB 3.32Å; E205-R208 WeakPolarHBondContact O-CB 3.4Å; E205-R208 PolarHBondContact O-N 3.16Å; E205-D209 PolarHBondContact O-N 2.97Å
206	S	41.1	Very low	39.5	Very low	32 Å²	32	74.4 Å²	74.4	22%	0.224	37%	0.365	C	S	.	.	H	α-helix	trans	-56.9	-30	172.6	-56	0	0	0	0	112.8	S202 A210 N505	S202-S206 WeakPolarHBondContact O-CB 3.36Å; S202-S206 PolarHBondContact O-N 2.82Å; S202-S206 PolarHBondContact O-OG 3.23Å; S202-S206 VanDerWaalsContact O-OG 3.05Å; S206-A210 WeakPolarHBondContact O-CB 3.41Å; S206-A210 PolarHBondContact O-N 2.96Å; S206-N505 PolarHBondContact OG-ND2 3.46Å
207	R	45.6	Very low	39.2	Very low	149 Å²	149	76.6 Å²	76.6	56%	0.562	38%	0.381	S	S	*	.	H	α-helix	trans	-77.9	-25.4	169.9	-76.7	174.4	168.5	-179.5	-2.8	114.3	I203 S204 E205 R211	I203-R207 WeakPolarHBondContact O-CB 3.37Å; I203-R207 WeakPolarHBondContact O-CD 3.4Å; I203-R207 WeakPolarHBondContact O-CG 3.29Å; I203-R207 PolarHBondContact O-N 3.26Å; I203-R207 VanDerWaalsContact O-N 3.1Å; S204-R207 PolarHBondContact O-N 2.96Å; E205-R207 PolarHBondContact O-N 2.78Å; E205-R207 VanDerWaalsContact O-N 3.11Å; R207-R211 WeakPolarHBondContact O-CB 3.44Å; R207-R211 VanDerWaalsContact O-CD 3.24Å; R207-R211 WeakPolarHBondContact O-CD 3.34Å; R207-R211 WeakPolarHBondContact O-CG 3.41Å; R207-R211 PolarHBondContact O-N 3.5Å
208	R	43.5	Very low	39.1	Very low	65 Å²	65	77.4 Å²	77.4	25%	0.245	39%	0.39	C	S	.	.	H	α-helix	trans	-71.5	-49.3	168.9	-72.5	160.4	-173.1	125.4	16.2	109.9	S204 E205 R211 R212 S788	S204-R208 VanDerWaalsContact O-CG 3.26Å; S204-R208 WeakPolarHBondContact O-CG 3.19Å; S204-R208 PolarHBondContact O-N 3.45Å; S204-R208 PolarHBondContact OG-NH1 3.38Å; S204-R208 PolarHBondContact OG-NH2 3.29Å; E205-R208 CarbonylContact O-C 3.57Å; E205-R208 WeakPolarHBondContact O-CA 3.49Å; E205-R208 VanDerWaalsContact O-CB 3.32Å; E205-R208 WeakPolarHBondContact O-CB 3.4Å; E205-R208 PolarHBondContact O-N 3.16Å; R208-R211 CarbonylContact O-C 3.24Å; R208-R211 WeakPolarHBondContact O-CA 3.15Å; R208-R211 WeakPolarHBondContact O-CB 3.36Å; R208-R211 PolarHBondContact O-N 2.98Å; R208-R211 VanDerWaalsContact O-N 3.09Å; R208-R212 PolarHBondContact O-N 2.94Å; R208-S788 VanDerWaalsContact CD-OG 3.27Å; R208-S788 WeakPolarHBondContact CD-OG 3.49Å
209	D	45.1	Very low	38.5	Very low	18 Å²	18	82.8 Å²	82.8	10%	0.096	43%	0.425	C	S	.	.	H	α-helix	trans	-69.4	-42.9	-175.9	-62.2	-38.6	0	0	0	111.5	E205 R211 R212 L213 L474	E205-D209 PolarHBondContact O-N 2.97Å; D209-R211 PolarHBondContact O-N 2.87Å; D209-R212 PolarHBondContact O-N 3.44Å; D209-R212 VanDerWaalsContact O-N 3.16Å; D209-L213 WeakPolarHBondContact O-CB 3.37Å; D209-L213 WeakPolarHBondContact O-CG 3.21Å; D209-L213 PolarHBondContact O-N 3.36Å; D209-L474 HydrophobicContact CB-CD1 4.16Å; D209-L474 WeakPolarHBondContact OD2-CD1 3.38Å
210	A	42.7	Very low	38.4	Very low	39 Å²	39	80.5 Å²	80.5	32%	0.322	43%	0.427	S	S	.	.	H	α-helix	trans	-58.8	-32	170.7	0	0	0	0	0	112.5	S206 L214	S206-A210 WeakPolarHBondContact O-CB 3.41Å; S206-A210 PolarHBondContact O-N 2.96Å; A210-L214 WeakPolarHBondContact O-CB 3.36Å; A210-L214 WeakPolarHBondContact O-CD1 3.32Å; A210-L214 WeakPolarHBondContact O-CG 3.2Å; A210-L214 PolarHBondContact O-N 2.89Å
211	R	45.6	Very low	38.1	Very low	188 Å²	188	78.4 Å²	78.4	71%	0.709	43%	0.431	S	S	*	.	H	α-helix	trans	-74.6	-41	174.2	-76	171.8	179.3	177.4	-1.2	112.7	R207 R208 D209 A215	R207-R211 WeakPolarHBondContact O-CB 3.44Å; R207-R211 VanDerWaalsContact O-CD 3.24Å; R207-R211 WeakPolarHBondContact O-CD 3.34Å; R207-R211 WeakPolarHBondContact O-CG 3.41Å; R207-R211 PolarHBondContact O-N 3.5Å; R208-R211 CarbonylContact O-C 3.24Å; R208-R211 WeakPolarHBondContact O-CA 3.15Å; R208-R211 WeakPolarHBondContact O-CB 3.36Å; R208-R211 PolarHBondContact O-N 2.98Å; R208-R211 VanDerWaalsContact O-N 3.09Å; D209-R211 PolarHBondContact O-N 2.87Å; R211-A215 PolarHBondContact O-N 3.37Å; R211-A215 VanDerWaalsContact O-N 3.16Å
212	R	42.4	Very low	37.7	Very low	71 Å²	71	84.1 Å²	84.1	27%	0.268	46%	0.456	S	S	.	.	H	α-helix	trans	-59.2	-47.6	171.7	-80.1	-177	170.1	168.3	0.8	110.2	R208 D209 A215 L216 E561 A789 E796	R208-R212 PolarHBondContact O-N 2.94Å; D209-R212 PolarHBondContact O-N 3.44Å; D209-R212 VanDerWaalsContact O-N 3.16Å; R212-A215 WeakPolarHBondContact O-CB 3.27Å; R212-A215 PolarHBondContact O-N 2.98Å; R212-L216 WeakPolarHBondContact O-CG 3.36Å; R212-L216 PolarHBondContact O-N 2.8Å; R212-E561 IonicContact NH1-OE2 2.71Å; R212-A789 PolarHBondContact NH2-O 3Å; R212-E796 IonicContact NH1-OE2 2.67Å; R212-E796 IonicContact NH2-OE2 3.16Å; R212-E796 PolarHBondContact NH2-OE2 3.31Å
213	L	38.8	Very low	37.3	Very low	14 Å²	14	91.4 Å²	91.4	7%	0.073	49%	0.494	C	S	.	.	H	α-helix	trans	-68.3	-38.6	179.7	-64.1	-179.4	0	0	0	113.3	D209 A215 L216 V217 M471 R475	D209-L213 WeakPolarHBondContact O-CB 3.37Å; D209-L213 WeakPolarHBondContact O-CG 3.21Å; D209-L213 PolarHBondContact O-N 3.36Å; L213-A215 PolarHBondContact O-N 2.94Å; L213-L216 HydrophobicContact CD2-CD1 4.47Å; L213-L216 PolarHBondContact O-N 3.48Å; L213-V217 WeakPolarHBondContact O-CG2 3.34Å; L213-V217 PolarHBondContact O-N 3.22Å; L213-M471 HydrophobicContact CD2-SD 4.28Å; L213-R475 HydrophobicContact CD1-CG 3.79Å; L213-R475 HydrophobicContact CD2-CG 3.56Å; L213-R475 HydrophobicContact CG-CG 4.35Å
214	L	35	Very low	37	Very low	134 Å²	134	93.8 Å²	93.8	70%	0.702	51%	0.508	S	S	*	.	H	α-helix	trans	-65.6	-22.3	173.3	-79.5	167.4	0	0	0	113.6	A210	A210-L214 WeakPolarHBondContact O-CB 3.36Å; A210-L214 WeakPolarHBondContact O-CD1 3.32Å; A210-L214 WeakPolarHBondContact O-CG 3.2Å; A210-L214 PolarHBondContact O-N 2.89Å
215	A	34.3	Very low	36.5	Very low	84 Å²	84	97 Å²	97	69%	0.694	53%	0.528	S	S	*	.	H	α-helix	trans	-77.6	-22.8	171	0	0	0	0	0	113	R211 R212 L213	R211-A215 PolarHBondContact O-N 3.37Å; R211-A215 VanDerWaalsContact O-N 3.16Å; R212-A215 WeakPolarHBondContact O-CB 3.27Å; R212-A215 PolarHBondContact O-N 2.98Å; L213-A215 PolarHBondContact O-N 2.94Å
216	L	34.7	Very low	36.1	Very low	83 Å²	83	98.1 Å²	98.1	44%	0.435	54%	0.543	S	S	.	.	H	α-helix	trans	-96.8	-26.4	-176.6	-64.9	165.9	0	0	0	113.4	R212 L213 E568	R212-L216 WeakPolarHBondContact O-CG 3.36Å; R212-L216 PolarHBondContact O-N 2.8Å; L213-L216 HydrophobicContact CD2-CD1 4.47Å; L213-L216 PolarHBondContact O-N 3.48Å; L216-E568 WeakPolarHBondContact CD2-OE2 3.44Å
217	V	28.7	Very low	35.6	Very low	96 Å²	96	101.5 Å²	101.5	58%	0.582	56%	0.558	S	S	*	*			trans	-100.3	90	-175.9	-176.3	0	0	0	0	111.5	L213	L213-V217 WeakPolarHBondContact O-CG2 3.34Å; L213-V217 PolarHBondContact O-N 3.22Å
218	Q	29	Very low	34.7	Very low	179 Å²	179	101.2 Å²	101.2	84%	0.836	57%	0.568	S	S	*	*			trans	-105.5	124.7	155.7	-68.7	-154.4	-7.9	0	0	110.1	G220	Q218-G220 PolarHBondContact O-N 2.79Å
219	P	27.5	Very low	34.2	Very low	131 Å²	131	104.5 Å²	104.5	85%	0.851	59%	0.59	S	S	*	*			trans	-78.5	121.4	-177.5	30.4	-33.4	0	0	0	111.5
220	G	32.2	Very low	33.3	Very low	45 Å²	45	111.9 Å²	111.9	46%	0.464	62%	0.621	S	S	.	*			trans	-172	110.6	177	0	0	0	0	0	114.4	Q218 Q641	Q218-G220 PolarHBondContact O-N 2.79Å; G220-Q641 PolarHBondContact O-NE2 3.37Å; G220-Q641 VanDerWaalsContact O-NE2 3.12Å
221	S	32.6	Very low	33	Very low	104 Å²	104	113 Å²	113	73%	0.727	62%	0.619	S	S	*	*			trans	55.5	118.8	166.7	56.2	0	0	0	0	119.1
222	L	29.9	Very low	32.6	Very low	155 Å²	155	108.5 Å²	108.5	81%	0.812	61%	0.609	S	S	*	*			trans	-68.6	-175.1	148.1	-93.7	67.7	0	0	0	110.3
223	D	30.8	Very low	32.6	Very low	158 Å²	158	110.2 Å²	110.2	85%	0.845	62%	0.623	S	S	*	*			trans	88.7	70.9	166.2	-52	-20.9	0	0	0	117.7
224	N	34.6	Very low	32.8	Very low	124 Å²	124	118 Å²	118	66%	0.663	66%	0.659	S	S	*	*			trans	-153.1	113.9	148.5	-151.8	-7.2	0	0	0	112	S226	N224-S226 VanDerWaalsContact C-N 3.34Å; N224-S226 PolarHBondContact O-N 3.01Å
225	P	30.8	Very low	33.2	Very low	106 Å²	106	114 Å²	114	69%	0.688	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	11.1	-168.8	34.4	-37.4	0	0	0	115.6
226	S	33	Very low	33.6	Very low	85 Å²	85	110.7 Å²	110.7	59%	0.594	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.1	-17.2	-169.4	54.4	0	0	0	0	116.2	N224	N224-S226 VanDerWaalsContact C-N 3.34Å; N224-S226 PolarHBondContact O-N 3.01Å
227	N	30.9	Very low	33.9	Very low	103 Å²	103	109.8 Å²	109.8	55%	0.551	61%	0.606	S	S	*	*			trans	-116	58	-176.6	-84.1	-7.6	0	0	0	112.1	L229	N227-L229 PolarHBondContact O-N 3.4Å
228	N	26.4	Very low	34.2	Very low	144 Å²	144	107.5 Å²	107.5	77%	0.77	60%	0.597	S	S	*	*			trans	-76.1	66.1	177	-79	-26.9	0	0	0	113.1	K230	N228-K230 PolarHBondContact O-N 3Å
229	L	32.4	Very low	34.7	Very low	134 Å²	134	102.2 Å²	102.2	70%	0.702	57%	0.574	S	S	*	*			trans	-84.6	94.1	145.6	-120.9	76.1	0	0	0	107	N227 F231	N227-L229 PolarHBondContact O-N 3.4Å; L229-F231 PolarHBondContact O-N 3.18Å
230	K	28	Very low	35.1	Very low	173 Å²	173	99.7 Å²	99.7	75%	0.752	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-60.5	134	167.3	-152.9	-175.7	-177.7	-162.3	0	106.6	N228 D232	N228-K230 PolarHBondContact O-N 3Å; K230-D232 PolarHBondContact O-N 2.89Å
231	F	34.7	Very low	35.1	Very low	62 Å²	62	100.6 Å²	100.6	27%	0.272	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-75.9	116.2	173.6	-155.9	-80.8	0	0	0	106.1	L229 D233 L235 V567	L229-F231 PolarHBondContact O-N 3.18Å; F231-D233 PolarHBondContact O-N 3.02Å; F231-L235 HydrophobicContact CE1-CB 4.11Å; F231-L235 HydrophobicContact CE1-CD1 4.22Å; F231-L235 HydrophobicContact CE1-CD2 4.25Å; F231-L235 HydrophobicContact CE1-CG 4.44Å; F231-L235 HydrophobicContact CZ-CD1 4.44Å; F231-L235 HydrophobicContact CZ-CD2 4.35Å; F231-V567 HydrophobicContact CD2-CG1 3.89Å; F231-V567 HydrophobicContact CD2-CG2 4.37Å; F231-V567 HydrophobicContact CE2-CB 4.08Å; F231-V567 HydrophobicContact CE2-CG1 3.93Å; F231-V567 HydrophobicContact CE2-CG2 3.86Å
232	D	37.6	Very low	35	Very low	94 Å²	94	103.3 Å²	103.3	50%	0.503	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-70.8	128.5	179	-73.7	-51.9	0	0	0	110.2	K230 E234 L235	K230-D232 PolarHBondContact O-N 2.89Å; D232-E234 HydrophobicContact CB-CB 4.27Å; D232-E234 HydrophobicContact CB-CG 4.45Å; D232-E234 PolarHBondContact O-N 3.29Å; D232-L235 WeakPolarHBondContact O-CB 3.45Å; D232-L235 PolarHBondContact O-N 3.13Å
233	D	43.6	Very low	35	Very low	106 Å²	106	105.4 Å²	105.4	57%	0.567	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-64.3	-18.1	173.3	-64.9	-58.5	0	0	0	111.3	F231 L235 F236	F231-D233 PolarHBondContact O-N 3.02Å; D233-L235 PolarHBondContact O-N 3.16Å; D233-L235 VanDerWaalsContact O-N 3.12Å; D233-F236 PolarHBondContact O-N 3.07Å; D233-F236 VanDerWaalsContact O-O 3.07Å
234	E	42.5	Very low	35.1	Very low	177 Å²	177	102.8 Å²	102.8	83%	0.827	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-56.2	-22.7	169.5	-56.5	-168.9	167.4	0	0	113.3	D232 F236	D232-E234 HydrophobicContact CB-CB 4.27Å; D232-E234 HydrophobicContact CB-CG 4.45Å; D232-E234 PolarHBondContact O-N 3.29Å; E234-F236 PolarHBondContact O-N 3.13Å
235	L	42.6	Very low	34.9	Very low	50 Å²	50	104.2 Å²	104.2	26%	0.262	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-76.9	-10.7	178.3	-141.2	153.6	0	0	0	112.1	F231 D232 D233 M560 K563	F231-L235 HydrophobicContact CE1-CB 4.11Å; F231-L235 HydrophobicContact CE1-CD1 4.22Å; F231-L235 HydrophobicContact CE1-CD2 4.25Å; F231-L235 HydrophobicContact CE1-CG 4.44Å; F231-L235 HydrophobicContact CZ-CD1 4.44Å; F231-L235 HydrophobicContact CZ-CD2 4.35Å; D232-L235 WeakPolarHBondContact O-CB 3.45Å; D232-L235 PolarHBondContact O-N 3.13Å; D233-L235 PolarHBondContact O-N 3.16Å; D233-L235 VanDerWaalsContact O-N 3.12Å; L235-M560 HydrophobicContact CD2-CE 4.16Å; L235-K563 HydrophobicContact CD2-CD 3.97Å
236	F	42.8	Very low	34.8	Very low	15 Å²	15	103.8 Å²	103.8	7%	0.066	58%	0.576	C	S	.	*	S	Bend	trans	-111.3	109.8	170.2	-168.3	-75	0	0	0	109.2	D233 E234 A238 R415 H416 N469 Y472	D233-F236 PolarHBondContact O-N 3.07Å; D233-F236 VanDerWaalsContact O-O 3.07Å; E234-F236 PolarHBondContact O-N 3.13Å; F236-A238 PolarHBondContact O-N 2.94Å; F236-R415 HydrophobicContact CD1-CG 4.08Å; F236-R415 HydrophobicContact CE1-CG 3.65Å; F236-R415 HydrophobicContact CZ-CG 4.48Å; F236-H416 AromaticContact CD2-CD2 3.72Å; F236-H416 AromaticContact CD2-NE2 3.95Å; F236-H416 AromaticContact CE2-CD2 3.54Å; F236-H416 AromaticContact CZ-CD2 3.79Å; F236-N469 HydrophobicContact CE2-CB 4.15Å; F236-N469 HydrophobicContact CZ-CB 4.21Å; F236-N469 WeakPolarHBondContact CZ-ND2 3.46Å; F236-Y472 AromaticContact CD2-CD2 3.81Å; F236-Y472 HydrophobicContact CD2-CD2 3.81Å; F236-Y472 HydrophobicContact CD2-CE2 4.15Å; F236-Y472 HydrophobicContact CD2-CG 4.11Å; F236-Y472 AromaticContact CE2-CD2 3.74Å; F236-Y472 HydrophobicContact CE2-CD2 3.74Å; F236-Y472 AromaticContact CE2-CG 3.91Å; F236-Y472 HydrophobicContact CE2-CG 3.91Å
237	T	40.5	Very low	34.6	Very low	65 Å²	65	106.1 Å²	106.1	40%	0.399	58%	0.582	S	S	.	*			trans	-70.8	88.9	179.6	53	0	0	0	0	111.7	Q468	T237-Q468 PolarHBondContact OG1-NE2 3.24Å
238	A	36.9	Very low	34.4	Very low	48 Å²	48	107.8 Å²	107.8	40%	0.397	59%	0.591	S	S	.	*			trans	-64.8	141.2	160.3	0	0	0	0	0	109.8	F236 R415	F236-A238 PolarHBondContact O-N 2.94Å; A238-R415 HydrophobicContact CB-CG 4.48Å
239	I	38.4	Very low	34.5	Very low	67 Å²	67	109 Å²	109	34%	0.344	59%	0.592	S	S	.	*			trans	-115.5	-25.9	176.9	-46.6	-167.6	0	0	0	112	G241 N420 E423 K465	I239-G241 PolarHBondContact O-N 3.22Å; I239-N420 HydrophobicContact CD1-CB 3.5Å; I239-N420 VanDerWaalsContact CD1-CB 3.5Å; I239-N420 HydrophobicContact CG1-CB 4.06Å; I239-E423 WeakPolarHBondContact CB-OE1 3.48Å; I239-E423 HydrophobicContact CD1-CG 4.19Å; I239-E423 HydrophobicContact CG2-CG 4.11Å; I239-E423 WeakPolarHBondContact CG2-OE1 3.32Å; I239-K465 HydrophobicContact CD1-CD 3.74Å
240	D	36.5	Very low	34.3	Very low	79 Å²	79	112.3 Å²	112.3	42%	0.422	60%	0.596	S	S	.	*			trans	-62.8	91.8	167.2	-59	-55.3	0	0	0	110.6
241	G	31.5	Very low	34.3	Very low	63 Å²	63	108.8 Å²	108.8	65%	0.649	59%	0.593	S	S	*	*			trans	-91.4	138.9	159.6	0	0	0	0	0	109.8	I239 E243	I239-G241 PolarHBondContact O-N 3.22Å; G241-E243 PolarHBondContact O-N 3.19Å
242	D	30.3	Very low	34	Very low	162 Å²	162	114.4 Å²	114.4	87%	0.866	62%	0.621	S	S	*	*			trans	-72	88.1	-168.4	-59.3	-65.5	0	0	0	114
243	E	29.6	Very low	33.7	Very low	198 Å²	198	119.3 Å²	119.3	93%	0.925	64%	0.637	S	S	*	*			trans	-99.8	86	156.6	-72.8	-150.2	159.5	0	0	110.8	G241	G241-E243 PolarHBondContact O-N 3.19Å
244	S	33.5	Very low	32.9	Very low	104 Å²	104	120.4 Å²	120.4	73%	0.727	65%	0.648	S	S	*	*			trans	-139.3	88.3	161.3	53.3	0	0	0	0	112.7
245	D	30.1	Very low	32.5	Very low	153 Å²	153	118 Å²	118	82%	0.818	65%	0.647	S	S	*	*			trans	39.6	107.9	151.1	-69.9	-42	0	0	0	121.7
246	S	29.2	Very low	31.9	Very low	97 Å²	97	119.2 Å²	119.2	68%	0.678	67%	0.672	S	S	*	*			trans	71.7	109.8	130.7	76.1	0	0	0	0	120.4
247	N	29	Very low	31.2	Very low	134 Å²	134	123.9 Å²	123.9	72%	0.717	71%	0.707	S	S	*	*				-178	148.2	89.6	-100.5	-76.3	0	0	0	114.8
248	N	26	Very low	30.8	Very low	138 Å²	138	128 Å²	128	74%	0.738	73%	0.725	S	S	*	*			trans	-7.8	123	160.4	-63.8	-62.5	0	0	0	119.1
249	Q	29	Very low	30.5	Very low	170 Å²	170	132.5 Å²	132.5	79%	0.794	74%	0.741	S	S	*	*				-176.5	163.3	99.1	-97.9	179.5	29.6	0	0	114.7
250	Y	27.3	Very low	30.1	Very low	204 Å²	204	136 Å²	136	80%	0.8	76%	0.76	S	S	*	*			trans	61.1	73.5	166.6	-75	-71.5	0	0	0	121.9
251	S	29.4	Very low	29.7	Very low	98 Å²	98	136 Å²	136	69%	0.685	77%	0.766	S	S	*	*				62	105.6	114.5	-163	0	0	0	0	119.8
252	Q	27.4	Very low	29.8	Very low	181 Å²	181	141.9 Å²	141.9	85%	0.846	78%	0.777	S	S	*	*			trans	-64.4	141.1	159	-63.9	172	-19.6	0	0	111.8
253	K	31	Very low	29.8	Very low	196 Å²	196	142.3 Å²	142.3	85%	0.852	77%	0.774	S	S	*	*			trans	-131.5	108.6	155.6	-82.3	-168.5	174.9	-178.5	0	110.8
254	V	28.5	Very low	29.9	Very low	130 Å²	130	138.3 Å²	138.3	79%	0.788	77%	0.765	S	S	*	*			trans	-79	132.5	170.9	-177	0	0	0	0	109.3	G256	V254-G256 PolarHBondContact O-N 3.33Å; V254-G256 VanDerWaalsContact O-N 3.17Å
255	P	33.3	Very low	29.7	Very low	126 Å²	126	137.6 Å²	137.6	82%	0.818	76%	0.76	S	S	*	*			trans	-73.3	105	173.6	-14.2	29.6	0	0	0	111.1
256	G	30.9	Very low	29.9	Very low	76 Å²	76	138.1 Å²	138.1	78%	0.784	76%	0.762	S	S	*	*			trans	-81.9	145.7	166.9	0	0	0	0	0	111.8	V254	V254-G256 PolarHBondContact O-N 3.33Å; V254-G256 VanDerWaalsContact O-N 3.17Å
257	S	27.6	Very low	30	Very low	113 Å²	113	140.9 Å²	140.9	79%	0.79	76%	0.763	S	S	*	*			trans	-84.4	137.8	-174.7	57.3	0	0	0	0	114.8
258	L	32.2	Very low	30	Very low	151 Å²	151	141.1 Å²	141.1	79%	0.791	76%	0.762	S	S	*	*			trans	-159.5	131.8	144.4	-87.4	127.7	0	0	0	105.8
259	I	30	Very low	30.4	Very low	143 Å²	143	143.9 Å²	143.9	73%	0.733	77%	0.767	S	S	*	*				51.5	118.1	84.6	-52.8	180	0	0	0	110.3
260	D	29.6	Very low	30.4	Very low	139 Å²	139	142.6 Å²	142.6	74%	0.743	77%	0.766	S	S	*	*			cis	-151.6	169.6	31.1	-146.5	-46.4	0	0	0	114.3
261	S	28.8	Very low	30.8	Very low	79 Å²	79	137.3 Å²	137.3	55%	0.552	76%	0.758	S	S	*	*			trans	70.1	126.5	139.3	-85.5	0	0	0	0	125.2
262	Q	33.1	Very low	31.1	Very low	187 Å²	187	140.5 Å²	140.5	87%	0.874	76%	0.763	S	S	*	*			trans	92.2	125.3	136	-69.6	168	50.8	0	0	121.3
263	Q	30	Very low	31.2	Very low	171 Å²	171	141.9 Å²	141.9	80%	0.799	76%	0.76	S	S	*	*			trans	-109.7	155.5	175.5	-138.1	-179.8	20	0	0	108.1
264	P	33.2	Very low	31.4	Very low	114 Å²	114	144.3 Å²	144.3	74%	0.74	76%	0.764	S	S	*	*				-136.3	150.9	91.5	18	3.6	0	0	0	111.9
265	S	28.6	Very low	31.6	Very low	89 Å²	89	144.4 Å²	144.4	62%	0.622	76%	0.76	S	S	*	*			cis	80.2	125	39.9	91.8	0	0	0	0	115.1
266	I	34.8	Very low	31.7	Very low	165 Å²	165	146.6 Å²	146.6	85%	0.846	76%	0.764	S	S	*	*			trans	-175.3	148.6	155.1	-99	154.1	0	0	0	110.3
267	H	30.2	Very low	32.2	Very low	154 Å²	154	147.8 Å²	147.8	71%	0.713	76%	0.758	S	S	*	*			trans	-12.8	134.1	178.6	-69.3	-60.4	0	0	0	121.3
268	M	29.5	Very low	32.5	Very low	140 Å²	140	151.3 Å²	151.3	69%	0.69	76%	0.759	S	S	*	*				80.8	124.9	54.1	-74.7	-172.9	75.1	0	0	116.6
269	K	34.7	Very low	32.4	Very low	196 Å²	196	153.3 Å²	153.3	85%	0.852	76%	0.756	S	S	*	*				-168.6	163.9	105	-101.7	175.5	-177.5	179.9	0	112.4
270	N	29.2	Very low	32.5	Very low	143 Å²	143	152.7 Å²	152.7	77%	0.765	75%	0.754	S	S	*	*			trans	-110	160.9	-170.6	-57.5	-23	0	0	0	112.7
271	S	34.8	Very low	32.8	Very low	92 Å²	92	153.3 Å²	153.3	64%	0.643	75%	0.752	S	S	*	*				178.9	119.9	120.2	-96.9	0	0	0	0	110.3
272	E	34.9	Very low	33	Very low	165 Å²	165	155.5 Å²	155.5	77%	0.771	76%	0.758	S	S	*	*				81.2	108	97.1	-71.9	175.1	126.4	0	0	114.6
273	R	30.5	Very low	33.1	Very low	211 Å²	211	151.8 Å²	151.8	80%	0.796	75%	0.753	S	S	*	*				81.2	117.8	77.3	-88.1	-166.4	176.5	-146.8	3.7	115
274	R	35.8	Very low	33.4	Very low	247 Å²	247	147.3 Å²	147.3	93%	0.932	75%	0.752	S	S	*	*				-165.6	133.9	124.6	-117	170.5	-76.8	-170	-3.3	112.5
275	D	31.9	Very low	33.4	Very low	131 Å²	131	147.7 Å²	147.7	70%	0.701	76%	0.757	S	S	*	*			trans	-97.4	166.4	177.8	-48.8	-95.8	0	0	0	112
276	L	36.2	Very low	33.8	Very low	172 Å²	172	149.3 Å²	149.3	90%	0.901	77%	0.769	S	S	*	*			trans	-161.9	121.9	149.9	-109.5	175.4	0	0	0	112.1
277	P	40.8	Very low	33.6	Very low	101 Å²	101	145.7 Å²	145.7	66%	0.656	76%	0.758	S	S	*	*			trans	-128.7	161	-179.7	41.1	-30.1	0	0	0	115.9
278	F	34.6	Very low	33.7	Very low	187 Å²	187	148.7 Å²	148.7	82%	0.82	77%	0.769	S	S	*	*			trans	-156.7	144.8	148.1	-90.6	-83	0	0	0	108.9
279	R	29.3	Very low	33.6	Very low	193 Å²	193	152.5 Å²	152.5	73%	0.728	78%	0.776	S	S	*	*			cis	87.7	115.7	11.2	-167.8	179.3	179	-90.7	-1	113.4
280	L	32.2	Very low	33.4	Very low	130 Å²	130	147.6 Å²	147.6	68%	0.681	77%	0.766	S	S	*	*			cis	-125.7	-153.8	14.6	-82.8	125.7	0	0	0	111.6
281	Q	36.1	Very low	33.5	Very low	152 Å²	152	150.8 Å²	150.8	71%	0.71	77%	0.768	S	S	*	*			cis	-160.8	159.5	8.1	-145.8	-165.7	108.5	0	0	114.2
282	N	33.1	Very low	33.2	Very low	125 Å²	125	153.7 Å²	153.7	67%	0.668	78%	0.776	S	S	*	*			trans	27.1	149.6	147.6	-71.6	4.2	0	0	0	124.6
283	S	35.2	Very low	32.9	Very low	110 Å²	110	149.4 Å²	149.4	77%	0.769	78%	0.776	S	S	*	*			cis	-173.4	143.2	-13.9	50	0	0	0	0	111.2
284	G	35.4	Very low	33	Very low	77 Å²	77	146.7 Å²	146.7	79%	0.794	78%	0.778	S	S	*	*			trans	173.1	68.5	176.8	0	0	0	0	0	116
285	S	33.9	Very low	32.8	Very low	121 Å²	121	140.5 Å²	140.5	85%	0.846	77%	0.772	S	S	*	*			trans	-46.6	149.6	172.3	48	0	0	0	0	114.4
286	S	36.5	Very low	32.8	Very low	123 Å²	123	140.4 Å²	140.4	86%	0.86	77%	0.771	S	S	*	*			cis	-150.4	161.2	47.1	60.1	0	0	0	0	114.9
287	S	30.1	Very low	32.5	Very low	89 Å²	89	140.9 Å²	140.9	62%	0.622	77%	0.766	S	S	*	*			trans	-140.7	152.3	-178.4	70.4	0	0	0	0	111
288	F	33	Very low	31.9	Very low	217 Å²	217	142.6 Å²	142.6	95%	0.952	77%	0.774	S	S	*	*			trans	-119.9	118.4	150.4	-95.6	-85.7	0	0	0	111.1
289	R	28.1	Very low	32	Very low	220 Å²	220	139 Å²	139	83%	0.83	77%	0.773	S	S	*	*			trans	-70.4	168.7	161.8	-64.1	172.8	170.5	169.5	-5.5	107.5
290	S	30.9	Very low	32	Very low	93 Å²	93	135 Å²	135	65%	0.65	77%	0.774	S	S	*	*			cis	-178.2	155.9	47.2	-149.2	0	0	0	0	113.7
291	R	30.1	Very low	32.3	Very low	210 Å²	210	136.3 Å²	136.3	79%	0.792	78%	0.78	S	S	*	*			trans	52.2	122.2	142	-79	177	175.6	171.2	-2.8	121.6
292	N	29	Very low	32.1	Very low	154 Å²	154	138.2 Å²	138.2	82%	0.824	79%	0.786	S	S	*	*				70.4	145.5	128.8	-57.9	14.9	0	0	0	117.8
293	G	28.5	Very low	32.2	Very low	75 Å²	75	143 Å²	143	77%	0.773	80%	0.795	S	S	*	*			trans	-94.2	166.6	179.8	0	0	0	0	0	112.9
294	D	32.3	Very low	32.3	Very low	154 Å²	154	144 Å²	144	82%	0.824	80%	0.796	S	S	*	*			trans	-141.6	142.6	158.8	-122	-37.7	0	0	0	108.8
295	S	31	Very low	32.2	Very low	116 Å²	116	149.5 Å²	149.5	81%	0.811	80%	0.801	S	S	*	*			trans	-106	92.8	-177.7	-175	0	0	0	0	110
296	L	32.3	Very low	32.4	Very low	130 Å²	130	149.8 Å²	149.8	68%	0.681	80%	0.803	S	S	*	*			trans	-129.9	91.7	-174.8	-80.4	173.3	0	0	0	114.1
297	K	29.8	Very low	32.2	Very low	181 Å²	181	149.3 Å²	149.3	79%	0.787	80%	0.8	S	S	*	*				51	121.6	129	-63.3	177.5	-177.2	175.7	0	119.1
298	T	29.2	Very low	32.7	Very low	137 Å²	137	150.8 Å²	150.8	84%	0.84	81%	0.81	S	S	*	*			trans	-45.6	140.4	155.4	46.7	0	0	0	0	113.3
299	S	35.3	Very low	32.7	Very low	113 Å²	113	147.7 Å²	147.7	79%	0.79	80%	0.804	S	S	*	*			trans	-118.6	97.2	173.3	47.9	0	0	0	0	111.3	I301	S299-I301 PolarHBondContact O-N 3.2Å
300	S	31.2	Very low	33.3	Very low	107 Å²	107	144.3 Å²	144.3	75%	0.748	81%	0.807	S	S	*	*			trans	-73.8	120.4	177.8	-47.7	0	0	0	0	111.6	K302	S300-K302 PolarHBondContact O-N 3.02Å
301	I	37.9	Very low	33.6	Very low	159 Å²	159	143.6 Å²	143.6	82%	0.815	82%	0.815	S	S	*	*			trans	-86.8	105.5	169.5	-61.6	-178.1	0	0	0	109.1	S299	S299-I301 PolarHBondContact O-N 3.2Å
302	K	31.4	Very low	33.8	Very low	191 Å²	191	142.9 Å²	142.9	83%	0.83	82%	0.82	S	S	*	*			trans	-79.5	129.7	170.1	-64.5	179.3	178.8	-179.7	0	110.3	S300	S300-K302 PolarHBondContact O-N 3.02Å
303	R	35.8	Very low	34.1	Very low	226 Å²	226	146.6 Å²	146.6	85%	0.853	82%	0.823	S	S	*	*			trans	-136	94.1	150.4	-72.4	-167.7	176.8	168.1	0.1	108.3
304	T	36.3	Very low	34.5	Very low	130 Å²	130	147.8 Å²	147.8	80%	0.798	82%	0.819	S	S	*	*				86.5	100.9	107.9	50.4	0	0	0	0	112.8
305	H	32.9	Very low	34.8	Very low	194 Å²	194	149.5 Å²	149.5	90%	0.898	82%	0.819	S	S	*	*			trans	-77.9	143.7	165.3	-61.3	-91.3	0	0	0	110.4
306	S	39.6	Very low	35.1	Very low	126 Å²	126	151 Å²	151	88%	0.881	82%	0.819	S	S	*	*			trans	-127.4	141.3	145.9	51	0	0	0	0	107.2
307	S	32.7	Very low	35.3	Very low	113 Å²	113	154.2 Å²	154.2	79%	0.79	83%	0.83	S	S	*	*			trans	-136.8	129.5	-165.1	56.2	0	0	0	0	111.9
308	S	39.7	Very low	35.6	Very low	120 Å²	120	150.7 Å²	150.7	84%	0.839	83%	0.828	S	S	*	*			trans	-140.8	126.5	161.7	43.8	0	0	0	0	109.1
309	N	33	Very low	36.1	Very low	153 Å²	153	149 Å²	149	82%	0.818	82%	0.822	S	S	*	*			trans	-80.5	151.5	175.4	-67.5	-29.4	0	0	0	110.3
310	T	39.7	Very low	36.4	Very low	148 Å²	148	148.2 Å²	148.2	91%	0.908	82%	0.822	S	S	*	*				170.4	160.2	123.2	35.8	0	0	0	0	110.9
311	G	37.3	Very low	36.8	Very low	79 Å²	79	146.3 Å²	146.3	81%	0.814	81%	0.809	S	S	*	*			trans	99.6	108.2	167	0	0	0	0	0	115.5
312	E	34.2	Very low	36.9	Very low	194 Å²	194	146 Å²	146	91%	0.907	80%	0.802	S	S	*	*			trans	-74.9	160.7	169.5	-55.4	165.2	107.5	0	0	111.6
313	R	36.7	Very low	37.3	Very low	233 Å²	233	141 Å²	141	88%	0.879	79%	0.789	S	S	*	*				151	97.8	112.3	-169	172.8	-167.8	175.8	3.6	115.2
314	S	36.2	Very low	37.7	Very low	99 Å²	99	140.7 Å²	140.7	69%	0.692	79%	0.788	S	S	*	*			trans	62.1	137.8	144.3	-56.2	0	0	0	0	122.6
315	K	38.9	Very low	38.4	Very low	190 Å²	190	142.8 Å²	142.8	83%	0.826	78%	0.781	S	S	*	*			trans	70.8	133.6	152.6	-69	170.3	-176.4	-177.1	0	116.2
316	N	36.6	Very low	39.6	Very low	149 Å²	149	136.8 Å²	136.8	80%	0.797	75%	0.753	S	S	*	*			cis	-144	163.4	20.8	-81.6	-47.1	0	0	0	112.8
317	Q	36.2	Very low	41.1	Very low	196 Å²	196	132.7 Å²	132.7	92%	0.916	72%	0.723	S	S	*	*			trans	-99.2	128.6	163.7	-68.7	173.9	-18	0	0	110.2
318	S	36.6	Very low	43.1	Very low	108 Å²	108	132 Å²	132	76%	0.755	71%	0.707	S	S	*	*			trans	-160.9	90.6	170.8	61.6	0	0	0	0	112.5
319	S	40.7	Very low	45	Very low	102 Å²	102	130.5 Å²	130.5	71%	0.713	69%	0.687	S	S	*	*			trans	-124.8	-27.1	176.7	49.2	0	0	0	0	114.1	S321	S319-S321 VanDerWaalsContact C-N 3.26Å; S319-S321 PolarHBondContact O-N 3.32Å
320	A	40.8	Very low	47.2	Very low	95 Å²	95	123.3 Å²	123.3	79%	0.785	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-5.3	-172.8	0	0	0	0	0	115.9
321	S	40.5	Very low	49.2	Very low	68 Å²	68	118.2 Å²	118.2	48%	0.476	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.7	-8.6	-172.8	55.9	0	0	0	0	115.3	S319	S319-S321 VanDerWaalsContact C-N 3.26Å; S319-S321 PolarHBondContact O-N 3.32Å
322	K	39.5	Very low	51.5	Low	151 Å²	151	118.9 Å²	118.9	66%	0.657	60%	0.599	S	S	*	*	H	α-helix	trans	-65.4	-53.5	-173.6	-74.2	-171.5	175.5	-175.8	0	115.3	R324 R325 Q326	K322-R324 PolarHBondContact O-N 3.07Å; K322-R325 PolarHBondContact O-N 2.91Å; K322-Q326 WeakPolarHBondContact O-CG 3.23Å
323	P	40.3	Very low	53.8	Low	86 Å²	86	110 Å²	110	56%	0.558	56%	0.558	S	S	*	*	H	α-helix	trans	-63.5	-44.1	-172.4	22.7	-32.5	0	0	0	112.2	R325 Q326 T327	P323-R325 PolarHBondContact O-N 3.07Å; P323-R325 VanDerWaalsContact O-N 3.11Å; P323-Q326 PolarHBondContact O-N 3.33Å; P323-T327 PolarHBondContact O-N 3.09Å
324	R	42.5	Very low	55.9	Low	220 Å²	220	99.2 Å²	99.2	83%	0.83	52%	0.517	S	S	*	.	H	α-helix	trans	-61.8	-22.2	-177.7	-172.1	172.6	177.7	-178.2	0.3	114.6	K322	K322-R324 PolarHBondContact O-N 3.07Å
325	R	50.7	Low	58.1	Low	175 Å²	175	99.3 Å²	99.3	66%	0.66	51%	0.51	S	S	*	.	H	α-helix	trans	-74.3	-38.3	172.5	-74.8	-173.3	173.6	-171.2	-2.8	112.2	K322 P323 Q328 E329	K322-R325 PolarHBondContact O-N 2.91Å; P323-R325 PolarHBondContact O-N 3.07Å; P323-R325 VanDerWaalsContact O-N 3.11Å; R325-Q328 WeakPolarHBondContact O-CB 3.48Å; R325-Q328 PolarHBondContact O-N 3.42Å; R325-Q328 VanDerWaalsContact O-N 3.1Å; R325-E329 WeakPolarHBondContact O-CG 3.4Å; R325-E329 PolarHBondContact O-N 3.31Å
326	Q	59.7	Low	60.1	Low	68 Å²	68	94.1 Å²	94.1	32%	0.318	49%	0.489	S	S	.	.	H	α-helix	trans	-70.7	-42.3	-170.9	-57.6	-179.8	8	0	0	111.4	K322 P323 Q328 E329 V330 R433	K322-Q326 WeakPolarHBondContact O-CG 3.23Å; P323-Q326 PolarHBondContact O-N 3.33Å; Q326-Q328 VanDerWaalsContact C-N 3.25Å; Q326-Q328 PolarHBondContact O-N 3.43Å; Q326-E329 WeakPolarHBondContact O-CB 3.36Å; Q326-E329 PolarHBondContact O-N 3.02Å; Q326-V330 WeakPolarHBondContact O-CG2 3.11Å; Q326-V330 PolarHBondContact O-N 2.93Å; Q326-V330 VanDerWaalsContact O-N 3.07Å; Q326-R433 VanDerWaalsContact CD-NH2 3.31Å; Q326-R433 VanDerWaalsContact CG-NH2 3.34Å
327	T	69.7	Low	62.1	Low	39 Å²	39	87 Å²	87	24%	0.239	45%	0.451	C	S	.	.	H	α-helix	trans	-58.1	-35.9	169.8	-59.1	0	0	0	0	112.4	P323 Q331 E429	P323-T327 PolarHBondContact O-N 3.09Å; T327-Q331 WeakPolarHBondContact O-CB 3.42Å; T327-Q331 WeakPolarHBondContact O-CG 3.32Å; T327-Q331 PolarHBondContact O-N 3.27Å; T327-E429 WeakPolarHBondContact CA-OE1 3.48Å; T327-E429 WeakPolarHBondContact CB-OE1 3.23Å; T327-E429 WeakPolarHBondContact CG2-OE1 3.34Å; T327-E429 PolarHBondContact OG1-OE1 2.98Å
328	Q	76	Confident	63.6	Low	100 Å²	100	78 Å²	78	47%	0.467	41%	0.41	S	S	.	.	H	α-helix	trans	-74.1	-35.5	178.6	-171	63	78.8	0	0	112.6	R325 Q326 N332	R325-Q328 WeakPolarHBondContact O-CB 3.48Å; R325-Q328 PolarHBondContact O-N 3.42Å; R325-Q328 VanDerWaalsContact O-N 3.1Å; Q326-Q328 VanDerWaalsContact C-N 3.25Å; Q326-Q328 PolarHBondContact O-N 3.43Å; Q328-N332 PolarHBondContact NE2-OD1 2.72Å; Q328-N332 PolarHBondContact O-N 3.36Å; Q328-N332 PolarHBondContact O-ND2 3.28Å; Q328-N332 PolarHBondContact O-OD1 3.4Å
329	E	78.2	Confident	64.8	Low	88 Å²	88	73.6 Å²	73.6	41%	0.411	38%	0.382	S	S	.	.	H	α-helix	trans	-59.4	-56	172.8	-70.4	153.4	-164.5	0	0	109.8	R325 Q326 Q331 N332 F333 R433	R325-E329 WeakPolarHBondContact O-CG 3.4Å; R325-E329 PolarHBondContact O-N 3.31Å; Q326-E329 WeakPolarHBondContact O-CB 3.36Å; Q326-E329 PolarHBondContact O-N 3.02Å; E329-Q331 VanDerWaalsContact C-N 3.33Å; E329-Q331 PolarHBondContact O-N 3.26Å; E329-N332 WeakPolarHBondContact O-CB 3.39Å; E329-N332 PolarHBondContact O-N 3.08Å; E329-F333 PolarHBondContact O-N 3.33Å; E329-R433 IonicContact OE2-NH2 2.67Å
330	V	79.8	Confident	65.4	Low	1 Å²	1	73.5 Å²	73.5	1%	0.006	38%	0.377	C	S	.	.	H	α-helix	trans	-59.1	-40.3	178.2	176.3	0	0	0	0	112.1	Q326 N332 F333 V334 Y384 E429 L432 R433	Q326-V330 WeakPolarHBondContact O-CG2 3.11Å; Q326-V330 PolarHBondContact O-N 2.93Å; Q326-V330 VanDerWaalsContact O-N 3.07Å; V330-N332 VanDerWaalsContact C-N 3.27Å; V330-N332 PolarHBondContact O-N 3.13Å; V330-F333 PolarHBondContact O-N 2.7Å; V330-V334 HydrophobicContact CG1-CG2 4.21Å; V330-V334 WeakPolarHBondContact O-CB 3.44Å; V330-V334 WeakPolarHBondContact O-CG2 3.38Å; V330-V334 PolarHBondContact O-N 3.2Å; V330-Y384 HydrophobicContact CG1-CD1 4.45Å; V330-Y384 HydrophobicContact CG1-CE1 4.06Å; V330-E429 HydrophobicContact CG2-CG 4.46Å; V330-L432 HydrophobicContact CG1-CD2 3.75Å; V330-L432 HydrophobicContact CG1-CG 4.17Å; V330-R433 HydrophobicContact CG2-CB 3.86Å; V330-R433 HydrophobicContact CG2-CG 4Å
331	Q	82.7	Confident	65.9	Low	42 Å²	42	71.1 Å²	71.1	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-62.8	-30.3	176.4	-79.7	179.4	17.1	0	0	113.5	T327 E329 N335 Y384 H388	T327-Q331 WeakPolarHBondContact O-CB 3.42Å; T327-Q331 WeakPolarHBondContact O-CG 3.32Å; T327-Q331 PolarHBondContact O-N 3.27Å; E329-Q331 VanDerWaalsContact C-N 3.33Å; E329-Q331 PolarHBondContact O-N 3.26Å; Q331-N335 PolarHBondContact O-N 3.38Å; Q331-N335 PolarHBondContact O-ND2 2.84Å; Q331-Y384 HydrophobicContact CG-CE1 4.21Å; Q331-H388 PolarHBondContact NE2-NE2 3.27Å; Q331-H388 VanDerWaalsContact NE2-NE2 3.1Å
332	N	84.1	Confident	66.4	Low	92 Å²	92	72.1 Å²	72.1	49%	0.492	37%	0.367	S	S	.	.	H	α-helix	trans	-69.7	-47.7	176.2	-62.8	-17.8	0	0	0	110.4	Q328 E329 V330 V334 N335 E336	Q328-N332 PolarHBondContact NE2-OD1 2.72Å; Q328-N332 PolarHBondContact O-N 3.36Å; Q328-N332 PolarHBondContact O-ND2 3.28Å; Q328-N332 PolarHBondContact O-OD1 3.4Å; E329-N332 WeakPolarHBondContact O-CB 3.39Å; E329-N332 PolarHBondContact O-N 3.08Å; V330-N332 VanDerWaalsContact C-N 3.27Å; V330-N332 PolarHBondContact O-N 3.13Å; N332-V334 VanDerWaalsContact C-N 3.33Å; N332-V334 PolarHBondContact O-N 3.35Å; N332-N335 WeakPolarHBondContact O-CB 3.08Å; N332-N335 PolarHBondContact O-N 2.82Å; N332-N335 VanDerWaalsContact O-N 3.09Å; N332-E336 PolarHBondContact O-N 2.94Å; N332-E336 VanDerWaalsContact O-N 3.12Å
333	F	84	Confident	67.3	Low	9 Å²	9	70.2 Å²	70.2	4%	0.039	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-39.2	175.7	-179.1	-113.3	0	0	0	112.4	E329 V330 N335 E336 V337 I377 L432 E436 F439	E329-F333 PolarHBondContact O-N 3.33Å; V330-F333 PolarHBondContact O-N 2.7Å; F333-N335 VanDerWaalsContact C-N 3.27Å; F333-N335 PolarHBondContact O-N 3.22Å; F333-E336 WeakPolarHBondContact O-CB 3.44Å; F333-E336 PolarHBondContact O-N 3.02Å; F333-E336 VanDerWaalsContact O-N 3.08Å; F333-V337 HydrophobicContact CD1-CG2 4.24Å; F333-V337 HydrophobicContact CD2-CG1 3.86Å; F333-V337 HydrophobicContact CE1-CG1 4.31Å; F333-V337 HydrophobicContact CE1-CG2 3.92Å; F333-V337 HydrophobicContact CE2-CG1 3.39Å; F333-V337 HydrophobicContact CE2-CG2 4.48Å; F333-V337 HydrophobicContact CG-CG1 4.5Å; F333-V337 HydrophobicContact CZ-CB 4.47Å; F333-V337 HydrophobicContact CZ-CG1 3.65Å; F333-V337 HydrophobicContact CZ-CG2 4.06Å; F333-V337 PolarHBondContact O-N 3.46Å; F333-I377 HydrophobicContact CE1-CG2 3.72Å; F333-I377 HydrophobicContact CZ-CG2 3.81Å; F333-L432 HydrophobicContact CD1-CD1 4.32Å; F333-L432 HydrophobicContact CE1-CD1 4.08Å; F333-E436 VanDerWaalsContact CB-CD 3.48Å; F333-E436 HydrophobicContact CB-CG 4.09Å; F333-E436 HydrophobicContact CD1-CB 3.69Å; F333-E436 HydrophobicContact CD1-CG 3.62Å; F333-E436 HydrophobicContact CD2-CG 3.88Å; F333-E436 HydrophobicContact CE1-CB 3.64Å; F333-E436 HydrophobicContact CE1-CG 3.92Å; F333-E436 HydrophobicContact CE2-CG 4.15Å; F333-E436 HydrophobicContact CG-CB 4.21Å; F333-E436 HydrophobicContact CG-CG 3.59Å; F333-E436 HydrophobicContact CZ-CB 4.11Å; F333-E436 HydrophobicContact CZ-CG 4.17Å; F333-F439 HydrophobicContact CE2-CD1 4.26Å; F333-F439 HydrophobicContact CZ-CD1 4.44Å
334	V	79.8	Confident	68.7	Low	5 Å²	5	70.2 Å²	70.2	3%	0.03	35%	0.352	C	S	.	.	H	α-helix	trans	-57.8	-38.6	173.1	167.3	0	0	0	0	112.2	V330 N332 A338 A381 Y384 R385 L432	V330-V334 HydrophobicContact CG1-CG2 4.21Å; V330-V334 WeakPolarHBondContact O-CB 3.44Å; V330-V334 WeakPolarHBondContact O-CG2 3.38Å; V330-V334 PolarHBondContact O-N 3.2Å; N332-V334 VanDerWaalsContact C-N 3.33Å; N332-V334 PolarHBondContact O-N 3.35Å; V334-A338 HydrophobicContact CG1-CB 4.41Å; V334-A338 WeakPolarHBondContact O-CB 3.38Å; V334-A338 PolarHBondContact O-N 3.41Å; V334-A381 HydrophobicContact CG2-CB 4.09Å; V334-Y384 HydrophobicContact CG2-CD1 3.69Å; V334-Y384 HydrophobicContact CG2-CE1 4.16Å; V334-R385 HydrophobicContact CG1-CB 3.89Å; V334-R385 HydrophobicContact CG1-CG 4.31Å; V334-L432 HydrophobicContact CG2-CD2 3.51Å
335	N	82	Confident	70.6	Confident	101 Å²	101	61.4 Å²	61.4	54%	0.54	32%	0.323	S	S	.	.	H	α-helix	trans	-73.3	-28.3	176.8	-69.5	-42.2	0	0	0	112.7	Q331 N332 F333	Q331-N335 PolarHBondContact O-N 3.38Å; Q331-N335 PolarHBondContact O-ND2 2.84Å; N332-N335 WeakPolarHBondContact O-CB 3.08Å; N332-N335 PolarHBondContact O-N 2.82Å; N332-N335 VanDerWaalsContact O-N 3.09Å; F333-N335 VanDerWaalsContact C-N 3.27Å; F333-N335 PolarHBondContact O-N 3.22Å
336	E	81.6	Confident	72.3	Confident	81 Å²	81	57.7 Å²	57.7	38%	0.379	31%	0.313	S	S	.	.	H	α-helix	trans	-70.2	-54.5	172.6	-172.9	177.6	155.9	0	0	111.1	N332 F333 V345 M350 Q352	N332-E336 PolarHBondContact O-N 2.94Å; N332-E336 VanDerWaalsContact O-N 3.12Å; F333-E336 WeakPolarHBondContact O-CB 3.44Å; F333-E336 PolarHBondContact O-N 3.02Å; F333-E336 VanDerWaalsContact O-N 3.08Å; E336-V345 WeakPolarHBondContact O-CG2 3.4Å; E336-M350 HydrophobicContact CG-CE 4.18Å; E336-M350 WeakPolarHBondContact OE1-CE 3.44Å; E336-Q352 PolarHBondContact OE1-NE2 2.63Å
337	V	78.9	Confident	73.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-97	-26.1	-165.9	-50.1	0	0	0	0	115.8	F333 G339 M350 F374 T378 A381	F333-V337 HydrophobicContact CD1-CG2 4.24Å; F333-V337 HydrophobicContact CD2-CG1 3.86Å; F333-V337 HydrophobicContact CE1-CG1 4.31Å; F333-V337 HydrophobicContact CE1-CG2 3.92Å; F333-V337 HydrophobicContact CE2-CG1 3.39Å; F333-V337 HydrophobicContact CE2-CG2 4.48Å; F333-V337 HydrophobicContact CG-CG1 4.5Å; F333-V337 HydrophobicContact CZ-CB 4.47Å; F333-V337 HydrophobicContact CZ-CG1 3.65Å; F333-V337 HydrophobicContact CZ-CG2 4.06Å; F333-V337 PolarHBondContact O-N 3.46Å; V337-G339 VanDerWaalsContact C-N 3.31Å; V337-M350 HydrophobicContact CG1-CE 3.75Å; V337-M350 HydrophobicContact CG1-SD 4.13Å; V337-F374 HydrophobicContact CB-CZ 4.31Å; V337-F374 HydrophobicContact CG1-CZ 4.11Å; V337-T378 HydrophobicContact CB-CG2 4.19Å; V337-A381 HydrophobicContact CG2-CB 3.64Å
338	A	68.6	Low	74.9	Confident	7 Å²	7	54.8 Å²	54.8	6%	0.058	30%	0.302	C	S	.	.	S	Bend	trans	-77.5	-19.5	-179.3	0	0	0	0	0	112.9	V334 A381	V334-A338 HydrophobicContact CG1-CB 4.41Å; V334-A338 WeakPolarHBondContact O-CB 3.38Å; V334-A338 PolarHBondContact O-N 3.41Å; A338-A381 HydrophobicContact CB-CB 3.98Å
339	G	61.6	Low	75.4	Confident	16 Å²	16	55 Å²	55	17%	0.165	30%	0.303	C	S	.	.			trans	59.8	-151.1	-177.3	0	0	0	0	0	113.8	V337 R385	V337-G339 VanDerWaalsContact C-N 3.31Å; G339-R385 PolarHBondContact O-NH1 3.14Å
340	T	52.3	Low	76	Confident	100 Å²	100	50.9 Å²	50.9	61%	0.613	28%	0.284	S	S	*	.	B	Isolated β-bridge	trans	-136.6	132.4	168.5	47.4	0	0	0	0	110.7	N343	T340-N343 PolarHBondContact O-N 3.09Å
341	G	51.9	Low	76.3	Confident	45 Å²	45	54.6 Å²	54.6	46%	0.464	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	-134.6	179.6	0	0	0	0	0	113.3	N343	G341-N343 VanDerWaalsContact C-N 3.27Å; G341-N343 PolarHBondContact O-N 2.97Å
342	P	50.6	Low	76.5	Confident	89 Å²	89	55.1 Å²	55.1	58%	0.578	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-13	-177.9	31.7	-35.1	0	0	0	113.8	R344	P342-R344 VanDerWaalsContact C-N 3.3Å; P342-R344 PolarHBondContact O-N 3.15Å
343	N	57.3	Low	76.7	Confident	110 Å²	110	50.8 Å²	50.8	59%	0.588	29%	0.287	S	S	*	.	B	Isolated β-bridge	trans	-86.2	67.8	-175.9	-58.8	-6.6	0	0	0	110.3	T340 G341	T340-N343 PolarHBondContact O-N 3.09Å; G341-N343 VanDerWaalsContact C-N 3.27Å; G341-N343 PolarHBondContact O-N 2.97Å
344	R	70.5	Confident	77	Confident	86 Å²	86	55.4 Å²	55.4	33%	0.325	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-70.6	136.5	160.4	-93.6	-174	-74.8	-81.3	-4.4	108.3	P342 S382	P342-R344 VanDerWaalsContact C-N 3.3Å; P342-R344 PolarHBondContact O-N 3.15Å; R344-S382 PolarHBondContact NH1-OG 3.28Å
345	V	83.2	Confident	77.4	Confident	36 Å²	36	60 Å²	60	22%	0.218	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-65.7	132.9	178.2	-170.4	0	0	0	0	109.1	E336 E349 M350 F374	E336-V345 WeakPolarHBondContact O-CG2 3.4Å; V345-E349 HydrophobicContact CG1-CB 3.73Å; V345-M350 HydrophobicContact CB-SD 4.09Å; V345-M350 HydrophobicContact CG1-CG 4.27Å; V345-M350 HydrophobicContact CG1-SD 3.55Å; V345-M350 VanDerWaalsContact CG1-SD 3.55Å; V345-F374 WeakPolarHBondContact O-CE1 3.41Å
346	Q	86.8	Confident	77.8	Confident	97 Å²	97	57.9 Å²	57.9	45%	0.453	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-74.1	153.4	173.7	-60.8	-149.8	-117.9	0	0	110.8	S348 E349 M350 E371	Q346-S348 PolarHBondContact O-N 2.98Å; Q346-E349 HydrophobicContact CB-CB 4.26Å; Q346-E349 HydrophobicContact CB-CG 3.92Å; Q346-E349 WeakPolarHBondContact CB-OE2 3.2Å; Q346-E349 HydrophobicContact CG-CG 4.48Å; Q346-E349 PolarHBondContact N-OE2 2.89Å; Q346-E349 PolarHBondContact O-N 3.15Å; Q346-M350 PolarHBondContact O-N 3.39Å; Q346-E371 WeakPolarHBondContact CA-OE2 3.37Å; Q346-E371 WeakPolarHBondContact CB-OE2 3.19Å; Q346-E371 PolarHBondContact NE2-OE2 3Å
347	W	92	Very high	78.1	Confident	1 Å²	1	57.6 Å²	57.6	0%	0.004	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-55.1	-43.7	174.5	170.7	84.3	0	0	0	110.9	E349 M350 V353 L358 A359 L362 Q370 E371 F374 P443 L444	W347-E349 PolarHBondContact O-N 3.4Å; W347-M350 WeakPolarHBondContact O-CB 3.34Å; W347-M350 PolarHBondContact O-N 2.89Å; W347-V353 HydrophobicContact CD2-CG1 4.05Å; W347-V353 HydrophobicContact CD2-CG2 4.29Å; W347-V353 HydrophobicContact CE3-CG1 4.12Å; W347-V353 HydrophobicContact CG-CG2 4.45Å; W347-V353 HydrophobicContact CH2-CG1 3.68Å; W347-V353 HydrophobicContact CZ2-CG1 3.61Å; W347-V353 HydrophobicContact CZ2-CG2 4.07Å; W347-V353 HydrophobicContact CZ3-CG1 3.95Å; W347-V353 WeakPolarHBondContact O-CB 3.29Å; W347-V353 WeakPolarHBondContact O-CG1 3.45Å; W347-V353 WeakPolarHBondContact O-CG2 3.48Å; W347-L358 HydrophobicContact CH2-CB 4.06Å; W347-L358 HydrophobicContact CZ2-CB 4.16Å; W347-A359 HydrophobicContact CH2-CB 4.28Å; W347-A359 HydrophobicContact CZ3-CB 3.83Å; W347-L362 HydrophobicContact CH2-CD1 3.61Å; W347-L362 HydrophobicContact CZ3-CD1 4.1Å; W347-Q370 HydrophobicContact CD2-CB 3.57Å; W347-Q370 HydrophobicContact CD2-CG 4.27Å; W347-Q370 HydrophobicContact CE3-CB 3.77Å; W347-Q370 HydrophobicContact CE3-CG 4.44Å; W347-Q370 HydrophobicContact CG-CB 3.96Å; W347-Q370 HydrophobicContact CH2-CB 4.44Å; W347-Q370 HydrophobicContact CH2-CG 4.23Å; W347-Q370 HydrophobicContact CZ2-CB 4.25Å; W347-Q370 HydrophobicContact CZ2-CG 4.02Å; W347-Q370 HydrophobicContact CZ3-CB 4.2Å; W347-Q370 HydrophobicContact CZ3-CG 4.42Å; W347-E371 HydrophobicContact CB-CG 4.43Å; W347-E371 PolarHBondContact N-OE1 3.31Å; W347-E371 PolarHBondContact N-OE2 2.84Å; W347-F374 HydrophobicContact CB-CB 3.76Å; W347-F374 HydrophobicContact CB-CD1 3.97Å; W347-F374 HydrophobicContact CB-CG 3.93Å; W347-F374 HydrophobicContact CG-CB 4.37Å; W347-P443 PolarHBondContact NE1-O 2.64Å; W347-L444 HydrophobicContact CH2-CD2 4.41Å; W347-L444 HydrophobicContact CZ2-CD2 3.89Å
348	S	90.1	Very high	78.6	Confident	45 Å²	45	59.9 Å²	59.9	32%	0.315	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-66.5	-14.7	177.3	44.5	0	0	0	0	115.3	Q346 E371	Q346-S348 PolarHBondContact O-N 2.98Å; S348-E371 WeakPolarHBondContact CB-OE1 3.43Å; S348-E371 PolarHBondContact N-OE1 3.25Å; S348-E371 PolarHBondContact OG-OE1 3.33Å
349	E	88.1	Confident	79.5	Confident	104 Å²	104	60.8 Å²	60.8	49%	0.486	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-93.6	-11	176.7	-70.5	174.4	146.8	0	0	113.3	V345 Q346 W347 I354	V345-E349 HydrophobicContact CG1-CB 3.73Å; Q346-E349 HydrophobicContact CB-CB 4.26Å; Q346-E349 HydrophobicContact CB-CG 3.92Å; Q346-E349 WeakPolarHBondContact CB-OE2 3.2Å; Q346-E349 HydrophobicContact CG-CG 4.48Å; Q346-E349 PolarHBondContact N-OE2 2.89Å; Q346-E349 PolarHBondContact O-N 3.15Å; W347-E349 PolarHBondContact O-N 3.4Å; E349-I354 VanDerWaalsContact O-CD1 3.31Å; E349-I354 WeakPolarHBondContact O-CD1 3.3Å
350	M	89.2	Confident	80.5	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	38%	0.382	C	S	.	.			trans	-67.6	133.5	-174.8	-72.3	-60	-59.1	0	0	112.1	E336 V337 V345 Q346 W347 Q352 V353 I354 F374 F439	E336-M350 HydrophobicContact CG-CE 4.18Å; E336-M350 WeakPolarHBondContact OE1-CE 3.44Å; V337-M350 HydrophobicContact CG1-CE 3.75Å; V337-M350 HydrophobicContact CG1-SD 4.13Å; V345-M350 HydrophobicContact CB-SD 4.09Å; V345-M350 HydrophobicContact CG1-CG 4.27Å; V345-M350 HydrophobicContact CG1-SD 3.55Å; V345-M350 VanDerWaalsContact CG1-SD 3.55Å; Q346-M350 PolarHBondContact O-N 3.39Å; W347-M350 WeakPolarHBondContact O-CB 3.34Å; W347-M350 PolarHBondContact O-N 2.89Å; M350-Q352 VanDerWaalsContact CE-OE1 3.29Å; M350-Q352 PolarHBondContact O-N 3.02Å; M350-Q352 VanDerWaalsContact O-N 3.11Å; M350-V353 HydrophobicContact CB-CB 4.22Å; M350-V353 HydrophobicContact CB-CG2 4.02Å; M350-V353 WeakPolarHBondContact O-CB 3.35Å; M350-V353 PolarHBondContact O-N 3.33Å; M350-I354 PolarHBondContact O-N 2.83Å; M350-F374 HydrophobicContact CE-CZ 4.19Å; M350-F374 HydrophobicContact CG-CE1 3.71Å; M350-F374 HydrophobicContact CG-CE2 4.18Å; M350-F374 HydrophobicContact CG-CZ 3.44Å; M350-F374 VanDerWaalsContact CG-CZ 3.44Å; M350-F374 HydrophobicContact SD-CE1 3.93Å; M350-F374 HydrophobicContact SD-CZ 3.52Å; M350-F374 VanDerWaalsContact SD-CZ 3.52Å; M350-F439 HydrophobicContact CB-CZ 4.04Å; M350-F439 HydrophobicContact CE-CE1 3.91Å; M350-F439 HydrophobicContact CE-CZ 4.26Å; M350-F439 HydrophobicContact CG-CZ 4.02Å
351	P	86.4	Confident	82	Confident	79 Å²	79	69.9 Å²	69.9	51%	0.513	39%	0.389	S	S	.	.	H	α-helix	trans	-55.2	-35.6	-176.6	-28.3	35.7	0	0	0	114.1	S355	P351-S355 WeakPolarHBondContact O-CB 3.36Å; P351-S355 PolarHBondContact O-N 2.94Å; P351-S355 PolarHBondContact O-OG 3.27Å
352	Q	86.9	Confident	83.6	Confident	54 Å²	54	69 Å²	69	25%	0.252	37%	0.374	S	S	.	.	H	α-helix	trans	-65.8	-44.7	178.1	-50.6	79.5	0.5	0	0	110.4	E336 M350 S355 A356 P443	E336-Q352 PolarHBondContact OE1-NE2 2.63Å; M350-Q352 VanDerWaalsContact CE-OE1 3.29Å; M350-Q352 PolarHBondContact O-N 3.02Å; M350-Q352 VanDerWaalsContact O-N 3.11Å; Q352-S355 PolarHBondContact O-N 3.27Å; Q352-S355 PolarHBondContact O-OG 2.91Å; Q352-A356 PolarHBondContact O-N 3.41Å; Q352-P443 HydrophobicContact CB-CG 4.26Å
353	V	89.9	Confident	85.5	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-67.3	-42.4	178.9	174.5	0	0	0	0	111.5	W347 M350 D357 L358 A359 F439 P443	W347-V353 HydrophobicContact CD2-CG1 4.05Å; W347-V353 HydrophobicContact CD2-CG2 4.29Å; W347-V353 HydrophobicContact CE3-CG1 4.12Å; W347-V353 HydrophobicContact CG-CG2 4.45Å; W347-V353 HydrophobicContact CH2-CG1 3.68Å; W347-V353 HydrophobicContact CZ2-CG1 3.61Å; W347-V353 HydrophobicContact CZ2-CG2 4.07Å; W347-V353 HydrophobicContact CZ3-CG1 3.95Å; W347-V353 WeakPolarHBondContact O-CB 3.29Å; W347-V353 WeakPolarHBondContact O-CG1 3.45Å; W347-V353 WeakPolarHBondContact O-CG2 3.48Å; M350-V353 HydrophobicContact CB-CB 4.22Å; M350-V353 HydrophobicContact CB-CG2 4.02Å; M350-V353 WeakPolarHBondContact O-CB 3.35Å; M350-V353 PolarHBondContact O-N 3.33Å; V353-D357 PolarHBondContact O-N 3.4Å; V353-L358 HydrophobicContact CG1-CB 4.21Å; V353-L358 PolarHBondContact O-N 3.16Å; V353-L358 VanDerWaalsContact O-N 3.17Å; V353-A359 HydrophobicContact CG1-CB 4.3Å; V353-F439 HydrophobicContact CG2-CE2 4.31Å; V353-F439 HydrophobicContact CG2-CZ 4.24Å; V353-P443 HydrophobicContact CG2-CB 3.88Å
354	I	89.8	Confident	87	Confident	106 Å²	106	68 Å²	68	54%	0.544	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-46.2	175	-64.1	171.7	0	0	0	110.9	E349 M350 A356 D357	E349-I354 VanDerWaalsContact O-CD1 3.31Å; E349-I354 WeakPolarHBondContact O-CD1 3.3Å; M350-I354 PolarHBondContact O-N 2.83Å; I354-A356 PolarHBondContact O-N 3.08Å; I354-D357 PolarHBondContact O-N 3.07Å
355	S	88.8	Confident	87.8	Confident	102 Å²	102	69.8 Å²	69.8	71%	0.713	37%	0.374	S	S	*	.	H	α-helix	trans	-63.9	-26.7	-177.6	72	0	0	0	0	114.2	P351 Q352	P351-S355 WeakPolarHBondContact O-CB 3.36Å; P351-S355 PolarHBondContact O-N 2.94Å; P351-S355 PolarHBondContact O-OG 3.27Å; Q352-S355 PolarHBondContact O-N 3.27Å; Q352-S355 PolarHBondContact O-OG 2.91Å
356	A	89	Confident	88.2	Confident	57 Å²	57	70.8 Å²	70.8	47%	0.471	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	7.2	176.5	0	0	0	0	0	113	Q352 I354 L358	Q352-A356 PolarHBondContact O-N 3.41Å; I354-A356 PolarHBondContact O-N 3.08Å; A356-L358 HydrophobicContact CB-CD1 4.03Å; A356-L358 HydrophobicContact CB-CD2 4.28Å; A356-L358 HydrophobicContact CB-CG 3.72Å; A356-L358 PolarHBondContact O-N 2.85Å
357	D	88.9	Confident	88.5	Confident	74 Å²	74	69.2 Å²	69.2	40%	0.396	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	17.2	177.6	-153.5	22.9	0	0	0	115	V353 I354 A359 R360	V353-D357 PolarHBondContact O-N 3.4Å; I354-D357 PolarHBondContact O-N 3.07Å; D357-A359 PolarHBondContact O-N 2.68Å; D357-R360 VanDerWaalsContact CG-NE 3.25Å; D357-R360 PolarHBondContact O-N 2.88Å; D357-R360 VanDerWaalsContact O-N 3.08Å; D357-R360 IonicContact OD1-CZ 3.21Å; D357-R360 IonicContact OD1-NE 2.87Å; D357-R360 PolarHBondContact OD1-NE 2.68Å; D357-R360 IonicContact OD1-NH2 2.77Å; D357-R360 PolarHBondContact OD1-NH2 3.48Å; D357-R360 IonicContact OD2-CZ 2.96Å; D357-R360 IonicContact OD2-NE 2.9Å; D357-R360 PolarHBondContact OD2-NE 3.42Å; D357-R360 IonicContact OD2-NH1 3.78Å; D357-R360 IonicContact OD2-NH2 2.9Å; D357-R360 PolarHBondContact OD2-NH2 3.23Å
358	L	89.4	Confident	88.5	Confident	49 Å²	49	73.3 Å²	73.3	26%	0.257	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.1	-165.9	-65.4	173.8	0	0	0	113.6	W347 V353 A356 L362 P443 L444	W347-L358 HydrophobicContact CH2-CB 4.06Å; W347-L358 HydrophobicContact CZ2-CB 4.16Å; V353-L358 HydrophobicContact CG1-CB 4.21Å; V353-L358 PolarHBondContact O-N 3.16Å; V353-L358 VanDerWaalsContact O-N 3.17Å; A356-L358 HydrophobicContact CB-CD1 4.03Å; A356-L358 HydrophobicContact CB-CD2 4.28Å; A356-L358 HydrophobicContact CB-CG 3.72Å; A356-L358 PolarHBondContact O-N 2.85Å; L358-L362 WeakPolarHBondContact O-CD1 3.38Å; L358-L362 VanDerWaalsContact O-CG 3.22Å; L358-L362 WeakPolarHBondContact O-CG 3.43Å; L358-P443 HydrophobicContact CD1-CB 3.89Å; L358-P443 HydrophobicContact CD1-CG 4.39Å; L358-L444 HydrophobicContact CD1-CD2 4.43Å; L358-L444 HydrophobicContact CD1-CG 4.3Å; L358-L444 HydrophobicContact CD2-CD1 4.47Å
359	A	86.4	Confident	88.7	Confident	25 Å²	25	71.8 Å²	71.8	21%	0.207	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.4	-178.8	0	0	0	0	0	113.8	W347 V353 D357 K367	W347-A359 HydrophobicContact CH2-CB 4.28Å; W347-A359 HydrophobicContact CZ3-CB 3.83Å; V353-A359 HydrophobicContact CG1-CB 4.3Å; D357-A359 PolarHBondContact O-N 2.68Å; A359-K367 WeakPolarHBondContact O-CE 3.47Å; A359-K367 PolarHBondContact O-NZ 3.2Å; A359-K367 VanDerWaalsContact O-NZ 3.09Å
360	R	83.9	Confident	89	Confident	163 Å²	163	67.2 Å²	67.2	62%	0.615	35%	0.353	S	S	*	.	S	Bend	trans	-65.4	-66.2	-170.2	-169	178.2	-59.3	-156.4	5.1	112.2	D357 L362 K367	D357-R360 VanDerWaalsContact CG-NE 3.25Å; D357-R360 PolarHBondContact O-N 2.88Å; D357-R360 VanDerWaalsContact O-N 3.08Å; D357-R360 IonicContact OD1-CZ 3.21Å; D357-R360 IonicContact OD1-NE 2.87Å; D357-R360 PolarHBondContact OD1-NE 2.68Å; D357-R360 IonicContact OD1-NH2 2.77Å; D357-R360 PolarHBondContact OD1-NH2 3.48Å; D357-R360 IonicContact OD2-CZ 2.96Å; D357-R360 IonicContact OD2-NE 2.9Å; D357-R360 PolarHBondContact OD2-NE 3.42Å; D357-R360 IonicContact OD2-NH1 3.78Å; D357-R360 IonicContact OD2-NH2 2.9Å; D357-R360 PolarHBondContact OD2-NH2 3.23Å; R360-L362 PolarHBondContact O-N 2.66Å; R360-K367 PolarHBondContact O-NZ 3.1Å; R360-K367 VanDerWaalsContact O-NZ 3.13Å
361	D	82.3	Confident	89.2	Confident	144 Å²	144	69.3 Å²	69.3	77%	0.77	36%	0.363	S	S	*	.	S	Bend	trans	-88.8	1.8	-167.9	-57.6	-34.7	0	0	0	114.1
362	L	87.1	Confident	89.6	Confident	28 Å²	28	66 Å²	66	15%	0.147	34%	0.342	C	S	.	.			trans	-71.3	136.3	178.1	-69	-176.6	0	0	0	112.1	W347 L358 R360 Q366 K367 Q370 L444	W347-L362 HydrophobicContact CH2-CD1 3.61Å; W347-L362 HydrophobicContact CZ3-CD1 4.1Å; L358-L362 WeakPolarHBondContact O-CD1 3.38Å; L358-L362 VanDerWaalsContact O-CG 3.22Å; L358-L362 WeakPolarHBondContact O-CG 3.43Å; R360-L362 PolarHBondContact O-N 2.66Å; L362-Q366 HydrophobicContact CD2-CG 4.23Å; L362-K367 HydrophobicContact CB-CD 4.5Å; L362-K367 HydrophobicContact CB-CG 3.9Å; L362-K367 WeakPolarHBondContact O-CD 3.4Å; L362-K367 WeakPolarHBondContact O-CE 3.21Å; L362-K367 PolarHBondContact O-NZ 2.99Å; L362-Q370 HydrophobicContact CD1-CG 4.47Å; L362-L444 HydrophobicContact CD1-CD2 4.4Å
363	P	90	Very high	90	Very high	56 Å²	56	63.5 Å²	63.5	36%	0.364	33%	0.331	S	S	.	.			trans	-70	152.4	173.1	30	-35.1	0	0	0	111.4	Y365 Q366 K367	P363-Y365 VanDerWaalsContact C-N 3.25Å; P363-Y365 HydrophobicContact CB-CD1 3.86Å; P363-Y365 HydrophobicContact CB-CE1 3.75Å; P363-Y365 HydrophobicContact CG-CD1 3.85Å; P363-Y365 HydrophobicContact CG-CE1 3.33Å; P363-Y365 PolarHBondContact O-N 2.99Å; P363-Y365 VanDerWaalsContact O-N 3.1Å; P363-Q366 HydrophobicContact CG-CB 3.91Å; P363-Q366 WeakPolarHBondContact O-CA 3.35Å; P363-Q366 WeakPolarHBondContact O-CB 3.46Å; P363-Q366 PolarHBondContact O-N 3.38Å; P363-K367 PolarHBondContact O-N 2.92Å
364	D	88.3	Confident	90.2	Very high	120 Å²	120	63.6 Å²	63.6	64%	0.642	33%	0.331	S	S	*	.	H	α-helix	trans	-56.5	-33.3	-171.7	-65.7	-17.3	0	0	0	114.6	Q366 K367 K368	D364-Q366 VanDerWaalsContact C-N 3.33Å; D364-K367 PolarHBondContact O-N 3.27Å; D364-K368 WeakPolarHBondContact O-CG 3.45Å; D364-K368 PolarHBondContact O-N 3.1Å
365	Y	88.1	Confident	90.4	Very high	124 Å²	124	61.5 Å²	61.5	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-66.5	-37	176.2	81.1	-93.5	0	0	0	111.7	P363 K368 L369 P530	P363-Y365 VanDerWaalsContact C-N 3.25Å; P363-Y365 HydrophobicContact CB-CD1 3.86Å; P363-Y365 HydrophobicContact CB-CE1 3.75Å; P363-Y365 HydrophobicContact CG-CD1 3.85Å; P363-Y365 HydrophobicContact CG-CE1 3.33Å; P363-Y365 PolarHBondContact O-N 2.99Å; P363-Y365 VanDerWaalsContact O-N 3.1Å; Y365-K368 PolarHBondContact O-N 3.33Å; Y365-L369 PolarHBondContact O-N 3.34Å; Y365-P530 HydrophobicContact CE2-CG 4.06Å
366	Q	91.3	Very high	90.7	Very high	58 Å²	58	56.7 Å²	56.7	27%	0.271	29%	0.285	S	S	.	.	H	α-helix	trans	-78.1	-33.9	179.4	-169.9	171.4	-8.5	0	0	111.1	L362 P363 D364 L369 Q370	L362-Q366 HydrophobicContact CD2-CG 4.23Å; P363-Q366 HydrophobicContact CG-CB 3.91Å; P363-Q366 WeakPolarHBondContact O-CA 3.35Å; P363-Q366 WeakPolarHBondContact O-CB 3.46Å; P363-Q366 PolarHBondContact O-N 3.38Å; D364-Q366 VanDerWaalsContact C-N 3.33Å; Q366-L369 WeakPolarHBondContact O-CB 3.3Å; Q366-L369 PolarHBondContact O-N 3.23Å; Q366-Q370 WeakPolarHBondContact O-CG 3.45Å; Q366-Q370 PolarHBondContact O-N 3.01Å
367	K	92	Very high	90.9	Very high	63 Å²	63	54 Å²	54	27%	0.274	26%	0.263	S	S	.	.	H	α-helix	trans	-56.8	-49.5	166	-74.4	167.9	164.1	142.2	0	110.8	A359 R360 L362 P363 D364 L369 Q370 E371	A359-K367 WeakPolarHBondContact O-CE 3.47Å; A359-K367 PolarHBondContact O-NZ 3.2Å; A359-K367 VanDerWaalsContact O-NZ 3.09Å; R360-K367 PolarHBondContact O-NZ 3.1Å; R360-K367 VanDerWaalsContact O-NZ 3.13Å; L362-K367 HydrophobicContact CB-CD 4.5Å; L362-K367 HydrophobicContact CB-CG 3.9Å; L362-K367 WeakPolarHBondContact O-CD 3.4Å; L362-K367 WeakPolarHBondContact O-CE 3.21Å; L362-K367 PolarHBondContact O-NZ 2.99Å; P363-K367 PolarHBondContact O-N 2.92Å; D364-K367 PolarHBondContact O-N 3.27Å; K367-L369 VanDerWaalsContact C-N 3.32Å; K367-L369 PolarHBondContact O-N 3.32Å; K367-Q370 PolarHBondContact O-N 3.07Å; K367-Q370 VanDerWaalsContact O-N 3.16Å; K367-E371 WeakPolarHBondContact O-CG 3.39Å; K367-E371 PolarHBondContact O-N 3.34Å
368	K	92.9	Very high	91.1	Very high	88 Å²	88	50.6 Å²	50.6	38%	0.383	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-34.6	176.3	-72.6	-175.7	178.1	-157.7	0	113.6	D364 Y365 A372 Y528	D364-K368 WeakPolarHBondContact O-CG 3.45Å; D364-K368 PolarHBondContact O-N 3.1Å; Y365-K368 PolarHBondContact O-N 3.33Å; K368-A372 VanDerWaalsContact O-CB 3.29Å; K368-A372 WeakPolarHBondContact O-CB 3.17Å; K368-A372 PolarHBondContact O-N 2.6Å; K368-Y528 HydrophobicContact CB-CD1 3.9Å; K368-Y528 HydrophobicContact CB-CD2 4.2Å; K368-Y528 HydrophobicContact CB-CE1 3.81Å; K368-Y528 HydrophobicContact CB-CE2 4.12Å; K368-Y528 HydrophobicContact CB-CG 4.08Å; K368-Y528 HydrophobicContact CD-CE1 3.82Å; K368-Y528 HydrophobicContact CG-CE1 4.41Å
369	L	94.2	Very high	91.2	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.063	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-44.4	171.7	178.9	60.2	0	0	0	112.2	Y365 Q366 K367 A372 L373 I525 A529 T535	Y365-L369 PolarHBondContact O-N 3.34Å; Q366-L369 WeakPolarHBondContact O-CB 3.3Å; Q366-L369 PolarHBondContact O-N 3.23Å; K367-L369 VanDerWaalsContact C-N 3.32Å; K367-L369 PolarHBondContact O-N 3.32Å; L369-A372 PolarHBondContact O-N 2.84Å; L369-L373 HydrophobicContact CD1-CD1 4.31Å; L369-L373 HydrophobicContact CD1-CG 4.39Å; L369-L373 HydrophobicContact CG-CD1 4.11Å; L369-L373 VanDerWaalsContact O-CG 3.3Å; L369-L373 WeakPolarHBondContact O-CG 3.2Å; L369-L373 PolarHBondContact O-N 2.86Å; L369-I525 HydrophobicContact CD1-CG2 3.99Å; L369-A529 HydrophobicContact CD1-CB 3.96Å; L369-A529 HydrophobicContact CD2-CB 4.46Å; L369-T535 HydrophobicContact CD1-CG2 4.47Å
370	Q	94.8	Very high	91.6	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-45.4	177.9	-70.7	-61.6	-32.4	0	0	112.3	W347 L362 Q366 K367 A372 L373 F374 L444	W347-Q370 HydrophobicContact CD2-CB 3.57Å; W347-Q370 HydrophobicContact CD2-CG 4.27Å; W347-Q370 HydrophobicContact CE3-CB 3.77Å; W347-Q370 HydrophobicContact CE3-CG 4.44Å; W347-Q370 HydrophobicContact CG-CB 3.96Å; W347-Q370 HydrophobicContact CH2-CB 4.44Å; W347-Q370 HydrophobicContact CH2-CG 4.23Å; W347-Q370 HydrophobicContact CZ2-CB 4.25Å; W347-Q370 HydrophobicContact CZ2-CG 4.02Å; W347-Q370 HydrophobicContact CZ3-CB 4.2Å; W347-Q370 HydrophobicContact CZ3-CG 4.42Å; L362-Q370 HydrophobicContact CD1-CG 4.47Å; Q366-Q370 WeakPolarHBondContact O-CG 3.45Å; Q366-Q370 PolarHBondContact O-N 3.01Å; K367-Q370 PolarHBondContact O-N 3.07Å; K367-Q370 VanDerWaalsContact O-N 3.16Å; Q370-A372 VanDerWaalsContact C-N 3.31Å; Q370-A372 PolarHBondContact O-N 3.22Å; Q370-L373 PolarHBondContact O-N 2.77Å; Q370-F374 WeakPolarHBondContact O-CB 3.34Å; Q370-F374 PolarHBondContact O-N 3.29Å; Q370-L444 PolarHBondContact NE2-O 3.5Å; Q370-L444 PolarHBondContact OE1-O 3.45Å
371	E	93.6	Very high	92	Very high	44 Å²	44	39.7 Å²	39.7	21%	0.206	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-39	174.2	-63.3	-69.3	160.6	0	0	111.5	Q346 W347 S348 K367 F374 E375	Q346-E371 WeakPolarHBondContact CA-OE2 3.37Å; Q346-E371 WeakPolarHBondContact CB-OE2 3.19Å; Q346-E371 PolarHBondContact NE2-OE2 3Å; W347-E371 HydrophobicContact CB-CG 4.43Å; W347-E371 PolarHBondContact N-OE1 3.31Å; W347-E371 PolarHBondContact N-OE2 2.84Å; S348-E371 WeakPolarHBondContact CB-OE1 3.43Å; S348-E371 PolarHBondContact N-OE1 3.25Å; S348-E371 PolarHBondContact OG-OE1 3.33Å; K367-E371 WeakPolarHBondContact O-CG 3.39Å; K367-E371 PolarHBondContact O-N 3.34Å; E371-F374 PolarHBondContact O-N 2.95Å; E371-E375 PolarHBondContact O-N 3.07Å
372	A	94.1	Very high	92.4	Very high	11 Å²	11	34.1 Å²	34.1	9%	0.091	17%	0.168	C	C	.	.	H	α-helix	trans	-68.8	-36.5	176.3	0	0	0	0	0	113.6	K368 L369 Q370 I525 Y528	K368-A372 VanDerWaalsContact O-CB 3.29Å; K368-A372 WeakPolarHBondContact O-CB 3.17Å; K368-A372 PolarHBondContact O-N 2.6Å; L369-A372 PolarHBondContact O-N 2.84Å; Q370-A372 VanDerWaalsContact C-N 3.31Å; Q370-A372 PolarHBondContact O-N 3.22Å; A372-I525 HydrophobicContact CB-CG1 4.09Å; A372-Y528 HydrophobicContact CB-CD2 4.07Å; A372-Y528 HydrophobicContact CB-CE2 4.41Å
373	L	95.2	Very high	92.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-64.4	-46.5	171.4	-72.1	163.7	0	0	0	110.5	L369 Q370 E375 V376 L448 I525 T535	L369-L373 HydrophobicContact CD1-CD1 4.31Å; L369-L373 HydrophobicContact CD1-CG 4.39Å; L369-L373 HydrophobicContact CG-CD1 4.11Å; L369-L373 VanDerWaalsContact O-CG 3.3Å; L369-L373 WeakPolarHBondContact O-CG 3.2Å; L369-L373 PolarHBondContact O-N 2.86Å; Q370-L373 PolarHBondContact O-N 2.77Å; L373-E375 VanDerWaalsContact C-N 3.3Å; L373-E375 PolarHBondContact O-N 2.78Å; L373-V376 WeakPolarHBondContact O-CB 3.41Å; L373-V376 PolarHBondContact O-N 3.27Å; L373-V376 VanDerWaalsContact O-N 3.15Å; L373-L448 HydrophobicContact CB-CD2 4.06Å; L373-L448 HydrophobicContact CD2-CB 3.93Å; L373-L448 HydrophobicContact CD2-CD2 3.98Å; L373-L448 WeakPolarHBondContact O-CD2 3.45Å; L373-I525 HydrophobicContact CD2-CD1 3.96Å; L373-I525 HydrophobicContact CD2-CG1 4.17Å; L373-I525 HydrophobicContact CD2-CG2 4.01Å; L373-I525 HydrophobicContact CG-CG1 4.42Å; L373-T535 HydrophobicContact CD1-CG2 4.44Å; L373-T535 HydrophobicContact CD2-CG2 4.09Å
374	F	94.5	Very high	92.9	Very high	2 Å²	2	31 Å²	31	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-69.5	-25	-179.8	-161.9	-115.5	0	0	0	113.3	V337 V345 W347 M350 Q370 E371 V376 I377 T378 F439 I445	V337-F374 HydrophobicContact CB-CZ 4.31Å; V337-F374 HydrophobicContact CG1-CZ 4.11Å; V345-F374 WeakPolarHBondContact O-CE1 3.41Å; W347-F374 HydrophobicContact CB-CB 3.76Å; W347-F374 HydrophobicContact CB-CD1 3.97Å; W347-F374 HydrophobicContact CB-CG 3.93Å; W347-F374 HydrophobicContact CG-CB 4.37Å; M350-F374 HydrophobicContact CE-CZ 4.19Å; M350-F374 HydrophobicContact CG-CE1 3.71Å; M350-F374 HydrophobicContact CG-CE2 4.18Å; M350-F374 HydrophobicContact CG-CZ 3.44Å; M350-F374 VanDerWaalsContact CG-CZ 3.44Å; M350-F374 HydrophobicContact SD-CE1 3.93Å; M350-F374 HydrophobicContact SD-CZ 3.52Å; M350-F374 VanDerWaalsContact SD-CZ 3.52Å; Q370-F374 WeakPolarHBondContact O-CB 3.34Å; Q370-F374 PolarHBondContact O-N 3.29Å; E371-F374 PolarHBondContact O-N 2.95Å; F374-V376 PolarHBondContact O-N 3.31Å; F374-I377 HydrophobicContact CD2-CB 4.46Å; F374-I377 HydrophobicContact CD2-CD1 4.3Å; F374-I377 PolarHBondContact O-N 3.35Å; F374-I377 VanDerWaalsContact O-N 3.15Å; F374-T378 HydrophobicContact CD1-CG2 3.6Å; F374-T378 HydrophobicContact CE1-CG2 3.33Å; F374-T378 HydrophobicContact CG-CG2 4.34Å; F374-T378 HydrophobicContact CZ-CG2 3.86Å; F374-T378 PolarHBondContact O-N 3.12Å; F374-T378 PolarHBondContact O-OG1 2.92Å; F374-T378 VanDerWaalsContact O-OG1 3.09Å; F374-F439 HydrophobicContact CD2-CD2 4.3Å; F374-F439 HydrophobicContact CD2-CE2 4.07Å; F374-F439 HydrophobicContact CE2-CD1 4.49Å; F374-F439 HydrophobicContact CE2-CD2 4.14Å; F374-F439 HydrophobicContact CE2-CE1 4.2Å; F374-F439 AromaticContact CE2-CE2 3.81Å; F374-F439 HydrophobicContact CE2-CE2 3.81Å; F374-F439 HydrophobicContact CE2-CG 4.46Å; F374-F439 AromaticContact CE2-CZ 3.85Å; F374-F439 HydrophobicContact CE2-CZ 3.85Å; F374-F439 HydrophobicContact CZ-CZ 4.45Å; F374-I445 HydrophobicContact CD2-CD1 4.06Å
375	E	93.3	Very high	93.1	Very high	61 Å²	61	29.6 Å²	29.6	29%	0.285	13%	0.133	S	C	.	.	H	α-helix	trans	-61.8	-28.3	171.4	-147.3	-147.8	130.7	0	0	112.4	E371 L373 T378 S379 R517 L521	E371-E375 PolarHBondContact O-N 3.07Å; L373-E375 VanDerWaalsContact C-N 3.3Å; L373-E375 PolarHBondContact O-N 2.78Å; E375-T378 WeakPolarHBondContact CA-OG1 3.22Å; E375-T378 PolarHBondContact O-OG1 3.47Å; E375-S379 WeakPolarHBondContact O-CB 3.4Å; E375-S379 PolarHBondContact O-N 3.12Å; E375-S379 PolarHBondContact O-OG 3.2Å; E375-R517 IonicContact OE1-CZ 3.62Å; E375-R517 IonicContact OE1-NH2 3.01Å; E375-R517 PolarHBondContact OE1-NH2 2.87Å; E375-L521 HydrophobicContact CB-CD2 4.17Å; E375-L521 VanDerWaalsContact CD-CD2 3.47Å; E375-L521 HydrophobicContact CG-CD2 4.22Å; E375-L521 WeakPolarHBondContact OE1-CD2 3.49Å
376	V	95	Very high	93.3	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-63.4	-47.2	173.5	-176.4	0	0	0	0	110.6	L373 F374 S379 E380 F431 M435 L448 I452 R514 L518 L521 I525	L373-V376 WeakPolarHBondContact O-CB 3.41Å; L373-V376 PolarHBondContact O-N 3.27Å; L373-V376 VanDerWaalsContact O-N 3.15Å; F374-V376 PolarHBondContact O-N 3.31Å; V376-S379 PolarHBondContact O-OG 2.91Å; V376-E380 WeakPolarHBondContact O-CB 3.44Å; V376-E380 PolarHBondContact O-N 3.31Å; V376-F431 HydrophobicContact CG1-CZ 4.45Å; V376-M435 HydrophobicContact CG1-SD 3.96Å; V376-L448 HydrophobicContact CB-CD2 4.12Å; V376-L448 HydrophobicContact CG2-CD2 4.36Å; V376-I452 HydrophobicContact CG1-CD1 4.07Å; V376-I452 HydrophobicContact CG2-CD1 4.44Å; V376-R514 PolarHBondContact O-NH2 3.48Å; V376-L518 HydrophobicContact CG1-CD2 4.24Å; V376-L521 HydrophobicContact CG2-CB 4.08Å; V376-L521 HydrophobicContact CG2-CD1 4.45Å; V376-I525 HydrophobicContact CG2-CD1 3.72Å
377	I	93.9	Very high	93.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.1	-52.5	-176.4	-53.1	-173.5	0	0	0	110.4	F333 F374 S379 E380 A381 L432 M435 F439 I445 L448	F333-I377 HydrophobicContact CE1-CG2 3.72Å; F333-I377 HydrophobicContact CZ-CG2 3.81Å; F374-I377 HydrophobicContact CD2-CB 4.46Å; F374-I377 HydrophobicContact CD2-CD1 4.3Å; F374-I377 PolarHBondContact O-N 3.35Å; F374-I377 VanDerWaalsContact O-N 3.15Å; I377-S379 VanDerWaalsContact C-N 3.27Å; I377-S379 PolarHBondContact O-N 2.97Å; I377-E380 PolarHBondContact O-N 2.84Å; I377-E380 VanDerWaalsContact O-N 3.12Å; I377-A381 PolarHBondContact O-N 3.34Å; I377-L432 HydrophobicContact CG2-CD1 4.3Å; I377-M435 HydrophobicContact CD1-CB 4.19Å; I377-M435 HydrophobicContact CG1-CB 4.12Å; I377-M435 HydrophobicContact CG1-SD 4.1Å; I377-F439 HydrophobicContact CD1-CB 4.21Å; I377-I445 HydrophobicContact CD1-CD1 3.9Å; I377-I445 HydrophobicContact CD1-CG2 4.35Å; I377-L448 HydrophobicContact CD1-CD1 4.4Å; I377-L448 HydrophobicContact CG1-CD1 4.45Å; I377-L448 HydrophobicContact CG1-CD2 4.32Å
378	T	92.4	Very high	93.4	Very high	4 Å²	4	22 Å²	22	3%	0.025	11%	0.106	C	C	.	.	H	α-helix	trans	-63.1	-32.4	179.2	57.2	0	0	0	0	112.4	V337 F374 E375 S382	V337-T378 HydrophobicContact CB-CG2 4.19Å; F374-T378 HydrophobicContact CD1-CG2 3.6Å; F374-T378 HydrophobicContact CE1-CG2 3.33Å; F374-T378 HydrophobicContact CG-CG2 4.34Å; F374-T378 HydrophobicContact CZ-CG2 3.86Å; F374-T378 PolarHBondContact O-N 3.12Å; F374-T378 PolarHBondContact O-OG1 2.92Å; F374-T378 VanDerWaalsContact O-OG1 3.09Å; E375-T378 WeakPolarHBondContact CA-OG1 3.22Å; E375-T378 PolarHBondContact O-OG1 3.47Å; T378-S382 WeakPolarHBondContact O-CB 3.18Å; T378-S382 PolarHBondContact O-N 3.3Å; T378-S382 PolarHBondContact O-OG 3.39Å
379	S	92.9	Very high	93.4	Very high	7 Å²	7	19.5 Å²	19.5	5%	0.049	10%	0.096	C	C	.	.	H	α-helix	trans	-79.9	-24.8	174.4	71.2	0	0	0	0	114.1	E375 V376 I377 Y383 R514 L521	E375-S379 WeakPolarHBondContact O-CB 3.4Å; E375-S379 PolarHBondContact O-N 3.12Å; E375-S379 PolarHBondContact O-OG 3.2Å; V376-S379 PolarHBondContact O-OG 2.91Å; I377-S379 VanDerWaalsContact C-N 3.27Å; I377-S379 PolarHBondContact O-N 2.97Å; S379-Y383 WeakPolarHBondContact O-CB 3.21Å; S379-Y383 PolarHBondContact O-N 2.89Å; S379-Y383 VanDerWaalsContact O-N 3.12Å; S379-R514 PolarHBondContact OG-NH1 3.15Å; S379-L521 WeakPolarHBondContact OG-CD1 3.32Å
380	E	94.4	Very high	93.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-70.2	-46.9	167.5	-170	64.7	-148.2	0	0	110.2	V376 I377 S382 Y383 Y384 S428 F431 L432 M435 R514	V376-E380 WeakPolarHBondContact O-CB 3.44Å; V376-E380 PolarHBondContact O-N 3.31Å; I377-E380 PolarHBondContact O-N 2.84Å; I377-E380 VanDerWaalsContact O-N 3.12Å; E380-S382 VanDerWaalsContact C-N 3.29Å; E380-S382 PolarHBondContact O-N 3.11Å; E380-Y383 CarbonylContact O-C 3.54Å; E380-Y383 WeakPolarHBondContact O-CA 3.22Å; E380-Y383 WeakPolarHBondContact O-CB 3.4Å; E380-Y383 PolarHBondContact O-N 3.19Å; E380-Y383 WeakPolarHBondContact OE1-CD1 3.03Å; E380-Y384 PolarHBondContact O-N 2.92Å; E380-S428 WeakPolarHBondContact OE1-CB 3.26Å; E380-S428 PolarHBondContact OE1-OG 3.36Å; E380-F431 VanDerWaalsContact CD-CD1 3.44Å; E380-F431 HydrophobicContact CG-CD1 3.89Å; E380-F431 HydrophobicContact CG-CE1 4.17Å; E380-F431 WeakPolarHBondContact OE2-CD1 3.42Å; E380-F431 WeakPolarHBondContact OE2-CE1 3.31Å; E380-L432 HydrophobicContact CB-CD1 4.14Å; E380-L432 HydrophobicContact CG-CB 3.87Å; E380-L432 HydrophobicContact CG-CD1 4.19Å; E380-L432 HydrophobicContact CG-CG 4.48Å; E380-M435 HydrophobicContact CB-CE 3.66Å; E380-M435 HydrophobicContact CG-CE 3.73Å; E380-R514 VanDerWaalsContact CA-NH2 3.34Å; E380-R514 VanDerWaalsContact CB-NH2 3.34Å; E380-R514 IonicContact OE2-CZ 2.64Å; E380-R514 IonicContact OE2-NE 3.9Å; E380-R514 PolarHBondContact OE2-NE 2.6Å; E380-R514 IonicContact OE2-NH2 3.7Å; E380-R514 PolarHBondContact OE2-NH2 2.85Å
381	A	92	Very high	93.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.3	-41.6	174.9	0	0	0	0	0	112.4	V334 V337 A338 I377 Y383 R385 L432	V334-A381 HydrophobicContact CG2-CB 4.09Å; V337-A381 HydrophobicContact CG2-CB 3.64Å; A338-A381 HydrophobicContact CB-CB 3.98Å; I377-A381 PolarHBondContact O-N 3.34Å; A381-Y383 VanDerWaalsContact C-N 3.33Å; A381-Y383 PolarHBondContact O-N 3.28Å; A381-R385 VanDerWaalsContact O-CB 3.31Å; A381-R385 WeakPolarHBondContact O-CB 3.22Å; A381-R385 PolarHBondContact O-N 3.39Å; A381-R385 VanDerWaalsContact O-N 3.07Å; A381-L432 HydrophobicContact CB-CD1 4.12Å; A381-L432 HydrophobicContact CB-CD2 4.13Å
382	S	90.6	Very high	93.4	Very high	27 Å²	27	20.5 Å²	20.5	19%	0.189	10%	0.1	C	C	.	.	H	α-helix	trans	-59.8	-41.2	172.2	-59	0	0	0	0	112.3	R344 T378 E380 T386	R344-S382 PolarHBondContact NH1-OG 3.28Å; T378-S382 WeakPolarHBondContact O-CB 3.18Å; T378-S382 PolarHBondContact O-N 3.3Å; T378-S382 PolarHBondContact O-OG 3.39Å; E380-S382 VanDerWaalsContact C-N 3.29Å; E380-S382 PolarHBondContact O-N 3.11Å; S382-T386 PolarHBondContact O-N 3.44Å; S382-T386 PolarHBondContact O-OG1 3.32Å
383	Y	94.1	Very high	93.3	Very high	17 Å²	17	23.2 Å²	23.2	7%	0.067	11%	0.11	C	C	.	.	H	α-helix	trans	-74.1	-48	-178.8	166.3	-106.9	0	0	0	112.3	S379 E380 A381 R385 T386 L387 I424 S428 Y463 L510 R514	S379-Y383 WeakPolarHBondContact O-CB 3.21Å; S379-Y383 PolarHBondContact O-N 2.89Å; S379-Y383 VanDerWaalsContact O-N 3.12Å; E380-Y383 CarbonylContact O-C 3.54Å; E380-Y383 WeakPolarHBondContact O-CA 3.22Å; E380-Y383 WeakPolarHBondContact O-CB 3.4Å; E380-Y383 PolarHBondContact O-N 3.19Å; E380-Y383 WeakPolarHBondContact OE1-CD1 3.03Å; A381-Y383 VanDerWaalsContact C-N 3.33Å; A381-Y383 PolarHBondContact O-N 3.28Å; Y383-R385 VanDerWaalsContact C-N 3.31Å; Y383-R385 PolarHBondContact O-N 2.94Å; Y383-T386 CarbonylContact O-C 3.52Å; Y383-T386 WeakPolarHBondContact O-CA 3.47Å; Y383-T386 WeakPolarHBondContact O-CB 3.43Å; Y383-T386 PolarHBondContact O-N 3.37Å; Y383-L387 HydrophobicContact CD1-CD1 4.21Å; Y383-L387 HydrophobicContact CD2-CG 4.37Å; Y383-L387 HydrophobicContact CE1-CD1 3.57Å; Y383-L387 HydrophobicContact CE1-CG 4.19Å; Y383-L387 HydrophobicContact CE2-CD1 4.16Å; Y383-L387 HydrophobicContact CE2-CD2 3.96Å; Y383-L387 HydrophobicContact CE2-CG 3.95Å; Y383-L387 PolarHBondContact O-N 3.46Å; Y383-I424 VanDerWaalsContact OH-CG2 3.26Å; Y383-I424 WeakPolarHBondContact OH-CG2 3.34Å; Y383-S428 WeakPolarHBondContact CD1-OG 3.4Å; Y383-Y463 WeakPolarHBondContact CE1-OH 3.47Å; Y383-Y463 VanDerWaalsContact OH-CE1 3.29Å; Y383-Y463 WeakPolarHBondContact OH-CE1 3.45Å; Y383-Y463 PolarHBondContact OH-OH 3.49Å; Y383-Y463 VanDerWaalsContact OH-OH 3.08Å; Y383-L510 HydrophobicContact CD2-CB 4.47Å; Y383-L510 HydrophobicContact CE2-CB 4.01Å; Y383-R514 HydrophobicContact CD1-CB 4.37Å; Y383-R514 HydrophobicContact CD1-CG 3.77Å; Y383-R514 HydrophobicContact CD2-CB 3.92Å; Y383-R514 HydrophobicContact CD2-CG 4.15Å; Y383-R514 HydrophobicContact CE1-CB 4.05Å; Y383-R514 HydrophobicContact CE1-CG 3.67Å; Y383-R514 HydrophobicContact CE2-CB 3.56Å; Y383-R514 HydrophobicContact CE2-CG 4.06Å; Y383-R514 HydrophobicContact CG-CB 4.3Å; Y383-R514 HydrophobicContact CG-CG 4Å
384	Y	94	Very high	93.3	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-53.6	-45.9	173	172.9	-93.6	0	0	0	111.5	V330 Q331 V334 E380 T386 L387 H388 F425 E429 L432	V330-Y384 HydrophobicContact CG1-CD1 4.45Å; V330-Y384 HydrophobicContact CG1-CE1 4.06Å; Q331-Y384 HydrophobicContact CG-CE1 4.21Å; V334-Y384 HydrophobicContact CG2-CD1 3.69Å; V334-Y384 HydrophobicContact CG2-CE1 4.16Å; E380-Y384 PolarHBondContact O-N 2.92Å; Y384-T386 PolarHBondContact O-N 2.77Å; Y384-L387 PolarHBondContact O-N 2.73Å; Y384-H388 WeakPolarHBondContact O-CB 3.47Å; Y384-H388 PolarHBondContact O-N 2.68Å; Y384-F425 HydrophobicContact CD2-CD2 4.32Å; Y384-F425 AromaticContact CD2-CE2 3.83Å; Y384-F425 HydrophobicContact CD2-CE2 3.83Å; Y384-F425 HydrophobicContact CD2-CZ 4.4Å; Y384-F425 HydrophobicContact CE2-CD2 4.13Å; Y384-F425 HydrophobicContact CE2-CE1 4.34Å; Y384-F425 AromaticContact CE2-CE2 3.34Å; Y384-F425 HydrophobicContact CE2-CE2 3.34Å; Y384-F425 AromaticContact CE2-CZ 3.47Å; Y384-F425 HydrophobicContact CE2-CZ 3.47Å; Y384-F425 VanDerWaalsContact CE2-CZ 3.47Å; Y384-F425 AromaticContact CZ-CE2 3.78Å; Y384-F425 AromaticContact CZ-CZ 3.67Å; Y384-E429 HydrophobicContact CD2-CB 4.23Å; Y384-E429 HydrophobicContact CE2-CB 3.64Å; Y384-E429 HydrophobicContact CE2-CG 3.7Å; Y384-E429 PolarHBondContact OH-OE1 3.11Å; Y384-L432 HydrophobicContact CD1-CD2 4.3Å; Y384-L432 HydrophobicContact CG-CD2 4.12Å
385	R	91.4	Very high	93.3	Very high	91 Å²	91	24.3 Å²	24.3	34%	0.343	11%	0.114	S	C	.	.	H	α-helix	trans	-58	-37.2	175	-173.1	174.6	-179.6	173.7	-0.1	112.4	V334 G339 A381 Y383 I389	V334-R385 HydrophobicContact CG1-CB 3.89Å; V334-R385 HydrophobicContact CG1-CG 4.31Å; G339-R385 PolarHBondContact O-NH1 3.14Å; A381-R385 VanDerWaalsContact O-CB 3.31Å; A381-R385 WeakPolarHBondContact O-CB 3.22Å; A381-R385 PolarHBondContact O-N 3.39Å; A381-R385 VanDerWaalsContact O-N 3.07Å; Y383-R385 VanDerWaalsContact C-N 3.31Å; Y383-R385 PolarHBondContact O-N 2.94Å; R385-I389 WeakPolarHBondContact O-CD1 3.4Å; R385-I389 WeakPolarHBondContact O-CG1 3.27Å; R385-I389 PolarHBondContact O-N 2.86Å
386	T	91.6	Very high	93.4	Very high	35 Å²	35	26.5 Å²	26.5	22%	0.215	12%	0.123	C	C	.	.	H	α-helix	trans	-76	-37	179	-46.7	0	0	0	0	111.8	S382 Y383 Y384 I389 L390 F507 L510	S382-T386 PolarHBondContact O-N 3.44Å; S382-T386 PolarHBondContact O-OG1 3.32Å; Y383-T386 CarbonylContact O-C 3.52Å; Y383-T386 WeakPolarHBondContact O-CA 3.47Å; Y383-T386 WeakPolarHBondContact O-CB 3.43Å; Y383-T386 PolarHBondContact O-N 3.37Å; Y384-T386 PolarHBondContact O-N 2.77Å; T386-I389 PolarHBondContact O-N 3.2Å; T386-L390 PolarHBondContact O-N 3.25Å; T386-L390 VanDerWaalsContact O-N 3.13Å; T386-F507 HydrophobicContact CG2-CD1 4.04Å; T386-F507 HydrophobicContact CG2-CE1 3.76Å; T386-L510 HydrophobicContact CG2-CD1 3.44Å; T386-L510 VanDerWaalsContact CG2-CD1 3.44Å; T386-L510 HydrophobicContact CG2-CD2 4.28Å
387	L	93.9	Very high	93.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-40.9	169.3	-67.7	-178	0	0	0	111.9	Y383 Y384 I389 L390 I391 I421 I424 F425	Y383-L387 HydrophobicContact CD1-CD1 4.21Å; Y383-L387 HydrophobicContact CD2-CG 4.37Å; Y383-L387 HydrophobicContact CE1-CD1 3.57Å; Y383-L387 HydrophobicContact CE1-CG 4.19Å; Y383-L387 HydrophobicContact CE2-CD1 4.16Å; Y383-L387 HydrophobicContact CE2-CD2 3.96Å; Y383-L387 HydrophobicContact CE2-CG 3.95Å; Y383-L387 PolarHBondContact O-N 3.46Å; Y384-L387 PolarHBondContact O-N 2.73Å; L387-I389 PolarHBondContact O-N 2.88Å; L387-L390 WeakPolarHBondContact O-CA 3.24Å; L387-L390 WeakPolarHBondContact O-CB 3.31Å; L387-L390 PolarHBondContact O-N 3Å; L387-I391 WeakPolarHBondContact O-CG1 3.41Å; L387-I391 PolarHBondContact O-N 3.1Å; L387-I421 HydrophobicContact CD2-CD1 4.14Å; L387-I424 HydrophobicContact CD1-CG2 3.97Å; L387-I424 HydrophobicContact CD2-CG2 4.44Å; L387-F425 HydrophobicContact CB-CD2 3.87Å
388	H	92.9	Very high	93.3	Very high	51 Å²	51	30.9 Å²	30.9	24%	0.236	15%	0.152	C	C	.	.	H	α-helix	trans	-59.1	-38	176.2	-173.6	-100.7	0	0	0	111.4	Q331 Y384 I391 E392 F425	Q331-H388 PolarHBondContact NE2-NE2 3.27Å; Q331-H388 VanDerWaalsContact NE2-NE2 3.1Å; Y384-H388 WeakPolarHBondContact O-CB 3.47Å; Y384-H388 PolarHBondContact O-N 2.68Å; H388-I391 PolarHBondContact O-N 3.14Å; H388-E392 WeakPolarHBondContact O-CB 3.41Å; H388-E392 WeakPolarHBondContact O-CG 3.34Å; H388-E392 PolarHBondContact O-N 2.99Å; H388-F425 HydrophobicContact CB-CE2 3.93Å; H388-F425 AromaticContact CD2-CZ 3.94Å
389	I	92.2	Very high	93.3	Very high	34 Å²	34	31.6 Å²	31.6	17%	0.174	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-46	171.9	-67.5	155.8	0	0	0	111	R385 T386 L387 I391 K393 S498 F507	R385-I389 WeakPolarHBondContact O-CD1 3.4Å; R385-I389 WeakPolarHBondContact O-CG1 3.27Å; R385-I389 PolarHBondContact O-N 2.86Å; T386-I389 PolarHBondContact O-N 3.2Å; L387-I389 PolarHBondContact O-N 2.88Å; I389-I391 VanDerWaalsContact C-N 3.33Å; I389-I391 PolarHBondContact O-N 3.04Å; I389-K393 HydrophobicContact CG2-CB 4.49Å; I389-K393 HydrophobicContact CG2-CG 4.15Å; I389-K393 WeakPolarHBondContact O-CA 3.28Å; I389-K393 WeakPolarHBondContact O-CB 3.43Å; I389-K393 WeakPolarHBondContact O-CG 3.38Å; I389-K393 PolarHBondContact O-N 3.45Å; I389-S498 VanDerWaalsContact CD1-O 3.23Å; I389-S498 WeakPolarHBondContact CD1-O 3.32Å; I389-F507 HydrophobicContact CB-CE1 4.15Å; I389-F507 HydrophobicContact CG2-CE1 3.68Å; I389-F507 HydrophobicContact CG2-CZ 3.73Å
390	L	94.3	Very high	93.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	I	π-helix	trans	-57.5	-44.3	174.9	173.3	56.3	0	0	0	112	T386 L387 F394 Y395 F418 I421 L504 F507	T386-L390 PolarHBondContact O-N 3.25Å; T386-L390 VanDerWaalsContact O-N 3.13Å; L387-L390 WeakPolarHBondContact O-CA 3.24Å; L387-L390 WeakPolarHBondContact O-CB 3.31Å; L387-L390 PolarHBondContact O-N 3Å; L390-F394 HydrophobicContact CD1-CB 4.18Å; L390-F394 HydrophobicContact CD1-CD2 4.34Å; L390-F394 WeakPolarHBondContact O-CB 3.45Å; L390-F394 PolarHBondContact O-N 3.01Å; L390-F394 VanDerWaalsContact O-N 3.16Å; L390-Y395 PolarHBondContact O-N 3.3Å; L390-F418 HydrophobicContact CD1-CD1 4.39Å; L390-F418 HydrophobicContact CD1-CE1 3.91Å; L390-I421 HydrophobicContact CD2-CD1 3.69Å; L390-I421 HydrophobicContact CD2-CG1 3.76Å; L390-I421 HydrophobicContact CG-CG1 4.36Å; L390-L504 HydrophobicContact CD1-CD1 4.33Å; L390-F507 HydrophobicContact CB-CB 4.33Å; L390-F507 HydrophobicContact CB-CD1 4.05Å; L390-F507 HydrophobicContact CB-CG 4.47Å; L390-F507 HydrophobicContact CD1-CB 3.88Å; L390-F507 HydrophobicContact CD2-CB 4.21Å; L390-F507 HydrophobicContact CG-CB 4.36Å
391	I	94.8	Very high	93.3	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.041	17%	0.165	C	C	.	.	I	π-helix	trans	-66.9	-56.4	179.3	-64.9	-62.4	0	0	0	111.5	L387 H388 I389 Y395 K396 I421 F425	L387-I391 WeakPolarHBondContact O-CG1 3.41Å; L387-I391 PolarHBondContact O-N 3.1Å; H388-I391 PolarHBondContact O-N 3.14Å; I389-I391 VanDerWaalsContact C-N 3.33Å; I389-I391 PolarHBondContact O-N 3.04Å; I391-Y395 HydrophobicContact CD1-CD1 4.41Å; I391-Y395 HydrophobicContact CD1-CG 4.31Å; I391-Y395 WeakPolarHBondContact O-CB 3.45Å; I391-Y395 PolarHBondContact O-N 3.12Å; I391-K396 HydrophobicContact CG2-CD 4.09Å; I391-K396 HydrophobicContact CG2-CG 4.35Å; I391-K396 WeakPolarHBondContact O-CB 3.45Å; I391-K396 WeakPolarHBondContact O-CG 3.35Å; I391-K396 PolarHBondContact O-N 3.18Å; I391-I421 HydrophobicContact CD1-CG1 4.09Å; I391-I421 HydrophobicContact CD1-CG2 3.85Å; I391-F425 HydrophobicContact CD1-CB 4.36Å; I391-F425 HydrophobicContact CG1-CB 4.08Å; I391-F425 HydrophobicContact CG1-CD2 4.17Å; I391-F425 HydrophobicContact CG1-CG 4.01Å
392	E	93.8	Very high	93.2	Very high	78 Å²	78	35.3 Å²	35.3	36%	0.364	18%	0.177	S	C	.	.	I	π-helix	trans	-71.5	-35.1	-174.5	-66.1	-53.4	117.9	0	0	113.5	H388 K396	H388-E392 WeakPolarHBondContact O-CB 3.41Å; H388-E392 WeakPolarHBondContact O-CG 3.34Å; H388-E392 PolarHBondContact O-N 2.99Å; E392-K396 WeakPolarHBondContact OE1-CD 3.41Å; E392-K396 WeakPolarHBondContact OE1-CE 3.48Å; E392-K396 IonicContact OE1-NZ 3.59Å; E392-K396 PolarHBondContact OE1-NZ 3.1Å; E392-K396 IonicContact OE2-NZ 2.68Å
393	K	92.9	Very high	93.1	Very high	68 Å²	68	41.4 Å²	41.4	30%	0.296	21%	0.208	S	C	.	.	I	π-helix	trans	-96.2	-27.9	-171.7	-57.2	-58.9	-169.4	157	0	114.2	I389 I493 S498	I389-K393 HydrophobicContact CG2-CB 4.49Å; I389-K393 HydrophobicContact CG2-CG 4.15Å; I389-K393 WeakPolarHBondContact O-CA 3.28Å; I389-K393 WeakPolarHBondContact O-CB 3.43Å; I389-K393 WeakPolarHBondContact O-CG 3.38Å; I389-K393 PolarHBondContact O-N 3.45Å; K393-I493 HydrophobicContact CB-CG2 3.99Å; K393-I493 WeakPolarHBondContact O-CG2 3.24Å; K393-S498 VanDerWaalsContact CE-OG 3.27Å; K393-S498 WeakPolarHBondContact CE-OG 3.35Å
394	F	94.1	Very high	93	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-115.7	-59.2	178.1	-58.8	-94.4	0	0	0	112	L390 K396 A397 M400 F418 I493 Q494 L504 F507	L390-F394 HydrophobicContact CD1-CB 4.18Å; L390-F394 HydrophobicContact CD1-CD2 4.34Å; L390-F394 WeakPolarHBondContact O-CB 3.45Å; L390-F394 PolarHBondContact O-N 3.01Å; L390-F394 VanDerWaalsContact O-N 3.16Å; F394-K396 VanDerWaalsContact C-N 3.3Å; F394-K396 PolarHBondContact O-N 3.5Å; F394-A397 WeakPolarHBondContact O-CB 3.31Å; F394-A397 PolarHBondContact O-N 3.44Å; F394-A397 VanDerWaalsContact O-N 3.07Å; F394-M400 WeakPolarHBondContact O-CB 3.42Å; F394-M400 VanDerWaalsContact O-CG 3.23Å; F394-M400 WeakPolarHBondContact O-CG 3.47Å; F394-F418 HydrophobicContact CB-CE1 4.22Å; F394-F418 HydrophobicContact CB-CZ 4.15Å; F394-I493 HydrophobicContact CD1-CB 4.25Å; F394-I493 HydrophobicContact CD1-CD1 4.01Å; F394-I493 HydrophobicContact CD1-CG2 3.68Å; F394-I493 HydrophobicContact CD2-CG2 4.1Å; F394-I493 HydrophobicContact CE1-CB 3.94Å; F394-I493 HydrophobicContact CE1-CD1 4.49Å; F394-I493 HydrophobicContact CE1-CG2 3.44Å; F394-I493 VanDerWaalsContact CE1-CG2 3.44Å; F394-I493 HydrophobicContact CE2-CG2 3.89Å; F394-I493 HydrophobicContact CG-CG2 4.02Å; F394-I493 HydrophobicContact CZ-CB 4.41Å; F394-I493 HydrophobicContact CZ-CG2 3.56Å; F394-Q494 HydrophobicContact CE1-CG 4.08Å; F394-Q494 HydrophobicContact CZ-CG 3.9Å; F394-L504 HydrophobicContact CB-CD1 4.24Å; F394-L504 HydrophobicContact CD1-CB 4.42Å; F394-L504 HydrophobicContact CD1-CD1 3.76Å; F394-L504 HydrophobicContact CD1-CG 4.45Å; F394-L504 HydrophobicContact CE1-CB 4.07Å; F394-L504 HydrophobicContact CE1-CD1 4.2Å; F394-L504 HydrophobicContact CG-CD1 3.99Å; F394-F507 AromaticContact CE2-CD2 3.75Å; F394-F507 HydrophobicContact CE2-CD2 3.75Å; F394-F507 AromaticContact CE2-CE2 3.7Å; F394-F507 HydrophobicContact CE2-CE2 3.7Å; F394-F507 HydrophobicContact CE2-CG 4.43Å; F394-F507 HydrophobicContact CE2-CZ 4.33Å; F394-F507 HydrophobicContact CZ-CD2 4.13Å; F394-F507 HydrophobicContact CZ-CE2 4.09Å
395	Y	94.6	Very high	92.6	Very high	27 Å²	27	52.7 Å²	52.7	11%	0.106	26%	0.261	C	S	.	.	I	π-helix	trans	-59.8	-37.4	-173.2	-176.9	-99.4	0	0	0	113.5	L390 I391 Q401 K414 F418 I421	L390-Y395 PolarHBondContact O-N 3.3Å; I391-Y395 HydrophobicContact CD1-CD1 4.41Å; I391-Y395 HydrophobicContact CD1-CG 4.31Å; I391-Y395 WeakPolarHBondContact O-CB 3.45Å; I391-Y395 PolarHBondContact O-N 3.12Å; Y395-Q401 PolarHBondContact O-NE2 3.06Å; Y395-K414 HydrophobicContact CE2-CD 4.48Å; Y395-F418 HydrophobicContact CD2-CB 3.85Å; Y395-F418 HydrophobicContact CD2-CD1 4.01Å; Y395-F418 AromaticContact CD2-CD2 3.88Å; Y395-F418 HydrophobicContact CD2-CD2 3.88Å; Y395-F418 HydrophobicContact CD2-CE2 4.41Å; Y395-F418 AromaticContact CD2-CG 3.65Å; Y395-F418 HydrophobicContact CD2-CG 3.65Å; Y395-F418 HydrophobicContact CE2-CB 4.05Å; Y395-F418 HydrophobicContact CE2-CD2 4.41Å; Y395-F418 HydrophobicContact CE2-CG 4.27Å; Y395-I421 HydrophobicContact CD2-CG2 3.83Å; Y395-I421 HydrophobicContact CE2-CG2 4.17Å; Y395-I421 HydrophobicContact CG-CG2 4.35Å
396	K	94.7	Very high	92.5	Very high	106 Å²	106	52.3 Å²	52.3	46%	0.461	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-0.9	177.8	-68.2	179.3	179.6	172.1	0	114.6	I391 E392 F394 Q401	I391-K396 HydrophobicContact CG2-CD 4.09Å; I391-K396 HydrophobicContact CG2-CG 4.35Å; I391-K396 WeakPolarHBondContact O-CB 3.45Å; I391-K396 WeakPolarHBondContact O-CG 3.35Å; I391-K396 PolarHBondContact O-N 3.18Å; E392-K396 WeakPolarHBondContact OE1-CD 3.41Å; E392-K396 WeakPolarHBondContact OE1-CE 3.48Å; E392-K396 IonicContact OE1-NZ 3.59Å; E392-K396 PolarHBondContact OE1-NZ 3.1Å; E392-K396 IonicContact OE2-NZ 2.68Å; F394-K396 VanDerWaalsContact C-N 3.3Å; F394-K396 PolarHBondContact O-N 3.5Å; K396-Q401 PolarHBondContact O-NE2 3.45Å
397	A	93.5	Very high	92.5	Very high	9 Å²	9	52.4 Å²	52.4	7%	0.074	27%	0.272	C	S	.	.			trans	-62.5	140.8	-176.3	0	0	0	0	0	111.7	F394 C399 M400 Q401 I493	F394-A397 WeakPolarHBondContact O-CB 3.31Å; F394-A397 PolarHBondContact O-N 3.44Å; F394-A397 VanDerWaalsContact O-N 3.07Å; A397-C399 PolarHBondContact O-N 2.94Å; A397-C399 VanDerWaalsContact O-N 3.1Å; A397-M400 HydrophobicContact CB-CB 4.39Å; A397-M400 HydrophobicContact CB-CG 4.08Å; A397-M400 WeakPolarHBondContact O-CA 3.45Å; A397-M400 PolarHBondContact O-N 2.93Å; A397-Q401 PolarHBondContact O-N 2.8Å; A397-Q401 PolarHBondContact O-NE2 3.39Å; A397-I493 HydrophobicContact CB-CD1 3.94Å
398	P	93.5	Very high	92.5	Very high	84 Å²	84	54.2 Å²	54.2	55%	0.545	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.3	179	-27.2	35.7	0	0	0	114.9	S404 T406	P398-S404 WeakPolarHBondContact O-CB 2.88Å; P398-S404 PolarHBondContact O-OG 3.23Å; P398-T406 PolarHBondContact O-OG1 2.97Å; P398-T406 VanDerWaalsContact O-OG1 3.11Å
399	C	93.5	Very high	92.5	Very high	19 Å²	19	52.2 Å²	52.2	13%	0.128	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-14	172.8	61.5	0	0	0	0	113.7	A397 T406 S407 V408 A489	A397-C399 PolarHBondContact O-N 2.94Å; A397-C399 VanDerWaalsContact O-N 3.1Å; C399-T406 WeakPolarHBondContact CA-O 3.37Å; C399-S407 WeakPolarHBondContact O-CA 3.32Å; C399-V408 HydrophobicContact CB-CG2 4.15Å; C399-V408 WeakPolarHBondContact O-CG2 3.48Å; C399-V408 PolarHBondContact O-N 3.35Å; C399-A489 HydrophobicContact CB-CB 4.02Å
400	M	92.6	Very high	92.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.287	C	S	.	.	S	Bend	trans	-105.2	3.3	177.9	-55.9	-58.5	-171.8	0	0	112.9	F394 A397 I409 K414 F486 V490 I493	F394-M400 WeakPolarHBondContact O-CB 3.42Å; F394-M400 VanDerWaalsContact O-CG 3.23Å; F394-M400 WeakPolarHBondContact O-CG 3.47Å; A397-M400 HydrophobicContact CB-CB 4.39Å; A397-M400 HydrophobicContact CB-CG 4.08Å; A397-M400 WeakPolarHBondContact O-CA 3.45Å; A397-M400 PolarHBondContact O-N 2.93Å; M400-I409 HydrophobicContact CB-CD1 4.04Å; M400-I409 HydrophobicContact SD-CD1 3.88Å; M400-I409 HydrophobicContact SD-CG2 4.27Å; M400-K414 WeakPolarHBondContact O-CD 3.44Å; M400-F486 HydrophobicContact CE-CD2 4.35Å; M400-F486 HydrophobicContact CE-CE2 3.71Å; M400-F486 HydrophobicContact CE-CZ 4.3Å; M400-F486 HydrophobicContact SD-CE2 3.99Å; M400-V490 HydrophobicContact CE-CG2 3.58Å; M400-I493 HydrophobicContact CE-CD1 4.38Å
401	Q	93.8	Very high	92.4	Very high	45 Å²	45	56.8 Å²	56.8	21%	0.21	31%	0.309	C	S	.	.			trans	-96.1	118.9	173.5	-58.9	-27.9	-70.1	0	0	109.5	Y395 K396 A397 D403 S404 S407	Y395-Q401 PolarHBondContact O-NE2 3.06Å; K396-Q401 PolarHBondContact O-NE2 3.45Å; A397-Q401 PolarHBondContact O-N 2.8Å; A397-Q401 PolarHBondContact O-NE2 3.39Å; Q401-D403 PolarHBondContact O-N 3.03Å; Q401-D403 VanDerWaalsContact O-N 3.16Å; Q401-S404 VanDerWaalsContact O-CB 3.28Å; Q401-S404 WeakPolarHBondContact O-CB 3.43Å; Q401-S404 PolarHBondContact O-N 3.24Å; Q401-S407 VanDerWaalsContact O-CB 3.22Å; Q401-S407 WeakPolarHBondContact O-CB 3.33Å; Q401-S407 PolarHBondContact O-OG 3.3Å
402	P	90	Very high	92.2	Very high	41 Å²	41	60.4 Å²	60.4	27%	0.266	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.1	-178.6	-27	35.8	0	0	0	113.7	S404 A411 K414	P402-S404 VanDerWaalsContact C-N 3.28Å; P402-S404 PolarHBondContact O-N 3.22Å; P402-A411 HydrophobicContact CB-CB 4.09Å; P402-A411 VanDerWaalsContact CG-CA 3.49Å; P402-A411 HydrophobicContact CG-CB 3.77Å; P402-K414 HydrophobicContact CG-CD 4.5Å
403	D	90	Very high	92.2	Very high	155 Å²	155	57.8 Å²	57.8	83%	0.829	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.6	-175.3	-39.5	-79.5	0	0	0	113.1	Q401	Q401-D403 PolarHBondContact O-N 3.03Å; Q401-D403 VanDerWaalsContact O-N 3.16Å
404	S	90.3	Very high	92.2	Very high	35 Å²	35	55.9 Å²	55.9	25%	0.245	31%	0.307	C	S	.	.	S	Bend	trans	-81.5	139.9	177.8	175.9	0	0	0	0	111.9	P398 Q401 P402 T406 S407	P398-S404 WeakPolarHBondContact O-CB 2.88Å; P398-S404 PolarHBondContact O-OG 3.23Å; Q401-S404 VanDerWaalsContact O-CB 3.28Å; Q401-S404 WeakPolarHBondContact O-CB 3.43Å; Q401-S404 PolarHBondContact O-N 3.24Å; P402-S404 VanDerWaalsContact C-N 3.28Å; P402-S404 PolarHBondContact O-N 3.22Å; S404-T406 PolarHBondContact O-N 3.2Å; S404-T406 PolarHBondContact OG-N 2.8Å; S404-T406 PolarHBondContact OG-OG1 2.81Å; S404-S407 WeakPolarHBondContact O-CB 3.36Å; S404-S407 PolarHBondContact O-N 3.04Å
405	K	87.2	Confident	92.1	Very high	220 Å²	220	60.2 Å²	60.2	96%	0.957	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.2	172.2	-59.6	-175.4	-178.6	-179.3	0	113.9
406	T	88.9	Confident	91.9	Very high	84 Å²	84	60.7 Å²	60.7	52%	0.515	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	12.5	178.2	59.9	0	0	0	0	113.5	P398 C399 S404	P398-T406 PolarHBondContact O-OG1 2.97Å; P398-T406 VanDerWaalsContact O-OG1 3.11Å; C399-T406 WeakPolarHBondContact CA-O 3.37Å; S404-T406 PolarHBondContact O-N 3.2Å; S404-T406 PolarHBondContact OG-N 2.8Å; S404-T406 PolarHBondContact OG-OG1 2.81Å
407	S	91.6	Very high	91.9	Very high	37 Å²	37	55.7 Å²	55.7	26%	0.259	30%	0.304	S	S	.	.			trans	-59.8	138.4	-178.7	-166.2	0	0	0	0	112.7	C399 Q401 S404 I409	C399-S407 WeakPolarHBondContact O-CA 3.32Å; Q401-S407 VanDerWaalsContact O-CB 3.22Å; Q401-S407 WeakPolarHBondContact O-CB 3.33Å; Q401-S407 PolarHBondContact O-OG 3.3Å; S404-S407 WeakPolarHBondContact O-CB 3.36Å; S404-S407 PolarHBondContact O-N 3.04Å; S407-I409 PolarHBondContact OG-N 3.46Å; S407-I409 PolarHBondContact OG-O 3.07Å
408	V	93	Very high	92	Very high	38 Å²	38	55.3 Å²	55.3	23%	0.23	30%	0.301	C	S	.	.			trans	-115.2	6.6	170.8	-62.7	0	0	0	0	112.7	C399 A485 F486 A489	C399-V408 HydrophobicContact CB-CG2 4.15Å; C399-V408 WeakPolarHBondContact O-CG2 3.48Å; C399-V408 PolarHBondContact O-N 3.35Å; V408-A485 HydrophobicContact CG1-CB 4Å; V408-F486 HydrophobicContact CG2-CB 4.37Å; V408-F486 HydrophobicContact CG2-CD2 4Å; V408-A489 HydrophobicContact CG1-CB 4.49Å; V408-A489 HydrophobicContact CG2-CB 3.99Å
409	I	93.3	Very high	92	Very high	9 Å²	9	51.8 Å²	51.8	5%	0.046	28%	0.278	C	S	.	.	S	Bend	trans	-137.5	151.4	178.3	68	179.2	0	0	0	112.2	M400 S407 E413 K414 L480 F486	M400-I409 HydrophobicContact CB-CD1 4.04Å; M400-I409 HydrophobicContact SD-CD1 3.88Å; M400-I409 HydrophobicContact SD-CG2 4.27Å; S407-I409 PolarHBondContact OG-N 3.46Å; S407-I409 PolarHBondContact OG-O 3.07Å; I409-E413 HydrophobicContact CB-CB 4.22Å; I409-K414 HydrophobicContact CD1-CB 3.65Å; I409-K414 HydrophobicContact CD1-CG 4.03Å; I409-K414 HydrophobicContact CG1-CB 4.39Å; I409-L480 HydrophobicContact CG2-CD1 3.79Å; I409-L480 HydrophobicContact CG2-CD2 3.84Å; I409-L480 HydrophobicContact CG2-CG 4.46Å; I409-F486 HydrophobicContact CG2-CD2 3.69Å; I409-F486 HydrophobicContact CG2-CE2 3.8Å
410	T	93.1	Very high	92.1	Very high	74 Å²	74	51 Å²	51	45%	0.454	27%	0.273	S	S	.	.			trans	-80.6	164.5	168.7	61.6	0	0	0	0	112.1	I412 E413 K414	T410-I412 VanDerWaalsContact C-N 3.3Å; T410-I412 PolarHBondContact O-N 3.46Å; T410-E413 WeakPolarHBondContact CB-OE2 3.41Å; T410-E413 WeakPolarHBondContact CG2-OE2 3.31Å; T410-E413 PolarHBondContact N-OE2 3.08Å; T410-E413 PolarHBondContact O-N 3.12Å; T410-E413 VanDerWaalsContact O-N 3.11Å; T410-E413 WeakPolarHBondContact OG1-CB 3.35Å; T410-E413 VanDerWaalsContact OG1-CD 3.24Å; T410-E413 VanDerWaalsContact OG1-CG 3.28Å; T410-E413 WeakPolarHBondContact OG1-CG 3.43Å; T410-E413 PolarHBondContact OG1-N 2.89Å; T410-E413 PolarHBondContact OG1-OE2 3.12Å; T410-K414 PolarHBondContact O-N 3.49Å
411	A	92.2	Very high	92.2	Very high	55 Å²	55	51 Å²	51	46%	0.455	27%	0.273	S	S	.	.	H	α-helix	trans	-59.1	-38.4	175.3	0	0	0	0	0	113.2	P402 E413 K414 R415	P402-A411 HydrophobicContact CB-CB 4.09Å; P402-A411 VanDerWaalsContact CG-CA 3.49Å; P402-A411 HydrophobicContact CG-CB 3.77Å; A411-E413 VanDerWaalsContact C-N 3.35Å; A411-K414 PolarHBondContact O-N 2.87Å; A411-R415 WeakPolarHBondContact O-CB 3.38Å; A411-R415 PolarHBondContact O-N 3.06Å
412	I	89.9	Confident	92.3	Very high	85 Å²	85	50.5 Å²	50.5	44%	0.436	28%	0.275	S	S	.	.	H	α-helix	trans	-63.9	-42	174.8	-61.6	172.9	0	0	0	110.2	T410 R415 H416	T410-I412 VanDerWaalsContact C-N 3.3Å; T410-I412 PolarHBondContact O-N 3.46Å; I412-R415 PolarHBondContact O-N 3.39Å; I412-H416 VanDerWaalsContact CG2-CE1 3.43Å; I412-H416 WeakPolarHBondContact CG2-CE1 3.37Å; I412-H416 WeakPolarHBondContact O-CB 3.48Å; I412-H416 VanDerWaalsContact O-CG 3.25Å; I412-H416 PolarHBondContact O-N 2.82Å
413	E	93	Very high	92.5	Very high	23 Å²	23	50.4 Å²	50.4	11%	0.107	27%	0.271	C	S	.	.	H	α-helix	trans	-69.5	-37.9	177.7	-71.7	162.8	142.6	0	0	112.6	I409 T410 A411 H416 L417 T476 K479 L480	I409-E413 HydrophobicContact CB-CB 4.22Å; T410-E413 WeakPolarHBondContact CB-OE2 3.41Å; T410-E413 WeakPolarHBondContact CG2-OE2 3.31Å; T410-E413 PolarHBondContact N-OE2 3.08Å; T410-E413 PolarHBondContact O-N 3.12Å; T410-E413 VanDerWaalsContact O-N 3.11Å; T410-E413 WeakPolarHBondContact OG1-CB 3.35Å; T410-E413 VanDerWaalsContact OG1-CD 3.24Å; T410-E413 VanDerWaalsContact OG1-CG 3.28Å; T410-E413 WeakPolarHBondContact OG1-CG 3.43Å; T410-E413 PolarHBondContact OG1-N 2.89Å; T410-E413 PolarHBondContact OG1-OE2 3.12Å; A411-E413 VanDerWaalsContact C-N 3.35Å; E413-H416 PolarHBondContact O-N 2.87Å; E413-L417 WeakPolarHBondContact O-CB 3.42Å; E413-L417 PolarHBondContact O-N 3.1Å; E413-T476 HydrophobicContact CB-CG2 3.97Å; E413-T476 HydrophobicContact CG-CG2 4.07Å; E413-K479 WeakPolarHBondContact OE1-CE 3.5Å; E413-K479 IonicContact OE1-NZ 3.43Å; E413-K479 PolarHBondContact OE1-NZ 2.89Å; E413-L480 HydrophobicContact CB-CD1 4.4Å
414	K	94	Very high	92.9	Very high	27 Å²	27	43 Å²	43	12%	0.117	23%	0.231	C	C	.	.	H	α-helix	trans	-57.7	-51	171.1	-169.9	-170.9	-179.1	-171	0	110.5	Y395 M400 P402 I409 T410 A411 L417 F418	Y395-K414 HydrophobicContact CE2-CD 4.48Å; M400-K414 WeakPolarHBondContact O-CD 3.44Å; P402-K414 HydrophobicContact CG-CD 4.5Å; I409-K414 HydrophobicContact CD1-CB 3.65Å; I409-K414 HydrophobicContact CD1-CG 4.03Å; I409-K414 HydrophobicContact CG1-CB 4.39Å; T410-K414 PolarHBondContact O-N 3.49Å; A411-K414 PolarHBondContact O-N 2.87Å; K414-L417 PolarHBondContact O-N 3Å; K414-F418 HydrophobicContact CG-CD2 3.84Å; K414-F418 HydrophobicContact CG-CE2 4.29Å; K414-F418 WeakPolarHBondContact O-CD2 3.49Å; K414-F418 PolarHBondContact O-N 2.93Å
415	R	91.7	Very high	93.1	Very high	92 Å²	92	42.7 Å²	42.7	35%	0.347	23%	0.225	S	C	.	.	H	α-helix	trans	-59	-46.5	178.8	178	-178.1	-69.2	160.6	-0.9	112.3	F236 A238 A411 I412 S419	F236-R415 HydrophobicContact CD1-CG 4.08Å; F236-R415 HydrophobicContact CE1-CG 3.65Å; F236-R415 HydrophobicContact CZ-CG 4.48Å; A238-R415 HydrophobicContact CB-CG 4.48Å; A411-R415 WeakPolarHBondContact O-CB 3.38Å; A411-R415 PolarHBondContact O-N 3.06Å; I412-R415 PolarHBondContact O-N 3.39Å; R415-S419 VanDerWaalsContact O-CA 3.32Å; R415-S419 WeakPolarHBondContact O-CA 3.42Å; R415-S419 PolarHBondContact O-N 3.28Å
416	H	91.4	Very high	93.6	Very high	37 Å²	37	38.2 Å²	38.2	17%	0.171	21%	0.206	C	C	.	.	H	α-helix	trans	-70	-32	178	-69.7	178.3	0	0	0	113.6	F236 I412 E413 Q473 T476	F236-H416 AromaticContact CD2-CD2 3.72Å; F236-H416 AromaticContact CD2-NE2 3.95Å; F236-H416 AromaticContact CE2-CD2 3.54Å; F236-H416 AromaticContact CZ-CD2 3.79Å; I412-H416 VanDerWaalsContact CG2-CE1 3.43Å; I412-H416 WeakPolarHBondContact CG2-CE1 3.37Å; I412-H416 WeakPolarHBondContact O-CB 3.48Å; I412-H416 VanDerWaalsContact O-CG 3.25Å; I412-H416 PolarHBondContact O-N 2.82Å; E413-H416 PolarHBondContact O-N 2.87Å; H416-Q473 VanDerWaalsContact O-CA 3.25Å; H416-Q473 WeakPolarHBondContact O-CA 3.36Å; H416-Q473 VanDerWaalsContact O-CG 3.24Å; H416-Q473 WeakPolarHBondContact O-CG 3.4Å; H416-Q473 PolarHBondContact O-N 2.9Å; H416-T476 HydrophobicContact CB-CG2 4.15Å; H416-T476 VanDerWaalsContact CB-OG1 3.26Å; H416-T476 WeakPolarHBondContact CB-OG1 3.39Å
417	L	93.8	Very high	94	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-77.4	-44.5	-178.2	-177.2	64.8	0	0	0	112.1	E413 K414 Q473 T476 L477 L480 F486 L504 L508	E413-L417 WeakPolarHBondContact O-CB 3.42Å; E413-L417 PolarHBondContact O-N 3.1Å; K414-L417 PolarHBondContact O-N 3Å; L417-Q473 WeakPolarHBondContact O-CG 3.38Å; L417-Q473 PolarHBondContact O-NE2 2.88Å; L417-T476 HydrophobicContact CB-CG2 4.25Å; L417-L477 HydrophobicContact CD1-CB 3.83Å; L417-L477 HydrophobicContact CD1-CD1 4.18Å; L417-L480 HydrophobicContact CD2-CD1 4.09Å; L417-F486 HydrophobicContact CD2-CE2 4.36Å; L417-F486 HydrophobicContact CD2-CZ 4.27Å; L417-L504 HydrophobicContact CD2-CD2 4.41Å; L417-L508 HydrophobicContact CD1-CD1 3.64Å; L417-L508 HydrophobicContact CG-CD1 4.2Å; L417-L508 WeakPolarHBondContact O-CD2 3.12Å
418	F	94.7	Very high	94.2	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-97.8	-18.1	-174.5	-67.8	-73.6	0	0	0	114.1	L390 F394 Y395 K414 I421 Y466 L504 L508	L390-F418 HydrophobicContact CD1-CD1 4.39Å; L390-F418 HydrophobicContact CD1-CE1 3.91Å; F394-F418 HydrophobicContact CB-CE1 4.22Å; F394-F418 HydrophobicContact CB-CZ 4.15Å; Y395-F418 HydrophobicContact CD2-CB 3.85Å; Y395-F418 HydrophobicContact CD2-CD1 4.01Å; Y395-F418 AromaticContact CD2-CD2 3.88Å; Y395-F418 HydrophobicContact CD2-CD2 3.88Å; Y395-F418 HydrophobicContact CD2-CE2 4.41Å; Y395-F418 AromaticContact CD2-CG 3.65Å; Y395-F418 HydrophobicContact CD2-CG 3.65Å; Y395-F418 HydrophobicContact CE2-CB 4.05Å; Y395-F418 HydrophobicContact CE2-CD2 4.41Å; Y395-F418 HydrophobicContact CE2-CG 4.27Å; K414-F418 HydrophobicContact CG-CD2 3.84Å; K414-F418 HydrophobicContact CG-CE2 4.29Å; K414-F418 WeakPolarHBondContact O-CD2 3.49Å; K414-F418 PolarHBondContact O-N 2.93Å; F418-I421 HydrophobicContact CB-CG2 3.9Å; F418-I421 HydrophobicContact CD1-CG2 4.37Å; F418-I421 WeakPolarHBondContact O-CB 3.34Å; F418-I421 PolarHBondContact O-N 3.43Å; F418-Y466 VanDerWaalsContact O-CE2 3.3Å; F418-Y466 WeakPolarHBondContact O-CE2 3.47Å; F418-L504 HydrophobicContact CE1-CD1 4.39Å; F418-L508 HydrophobicContact CD1-CD2 4Å; F418-L508 HydrophobicContact CE1-CD2 4.34Å
419	S	94.1	Very high	94.3	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.07	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	-141.6	-173.7	-163.7	0	0	0	0	110.7	R415 I421 N469	R415-S419 VanDerWaalsContact O-CA 3.32Å; R415-S419 WeakPolarHBondContact O-CA 3.42Å; R415-S419 PolarHBondContact O-N 3.28Å; S419-I421 VanDerWaalsContact C-N 3.31Å; S419-I421 PolarHBondContact O-N 3.09Å; S419-N469 PolarHBondContact OG-ND2 3.31Å
420	N	94.8	Very high	94.4	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	45.3	175.5	65.4	-65.4	0	0	0	113.7	I239 S422 E423 I424 N462 K465 Y466	I239-N420 HydrophobicContact CD1-CB 3.5Å; I239-N420 VanDerWaalsContact CD1-CB 3.5Å; I239-N420 HydrophobicContact CG1-CB 4.06Å; N420-S422 PolarHBondContact O-N 3.42Å; N420-E423 WeakPolarHBondContact CA-OE2 3.5Å; N420-E423 HydrophobicContact CB-CB 4.37Å; N420-E423 HydrophobicContact CB-CG 4.4Å; N420-E423 WeakPolarHBondContact CB-OE2 3.4Å; N420-E423 PolarHBondContact O-N 3.14Å; N420-E423 VanDerWaalsContact O-OE2 3.06Å; N420-I424 WeakPolarHBondContact O-CG1 3.38Å; N420-I424 PolarHBondContact O-N 3.08Å; N420-N462 PolarHBondContact ND2-O 2.97Å; N420-K465 VanDerWaalsContact OD1-C 3.24Å; N420-K465 PolarHBondContact OD1-O 2.96Å; N420-Y466 WeakPolarHBondContact OD1-CA 3.47Å; N420-Y466 WeakPolarHBondContact OD1-CB 3.38Å; N420-Y466 PolarHBondContact OD1-N 3.37Å; N420-Y466 VanDerWaalsContact OD1-N 3.08Å
421	I	95.7	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.2	-29.1	-178.7	-165.5	65.1	0	0	0	112.7	L387 L390 I391 Y395 F418 S419 E423 I424 F425 Y466 P511	L387-I421 HydrophobicContact CD2-CD1 4.14Å; L390-I421 HydrophobicContact CD2-CD1 3.69Å; L390-I421 HydrophobicContact CD2-CG1 3.76Å; L390-I421 HydrophobicContact CG-CG1 4.36Å; I391-I421 HydrophobicContact CD1-CG1 4.09Å; I391-I421 HydrophobicContact CD1-CG2 3.85Å; Y395-I421 HydrophobicContact CD2-CG2 3.83Å; Y395-I421 HydrophobicContact CE2-CG2 4.17Å; Y395-I421 HydrophobicContact CG-CG2 4.35Å; F418-I421 HydrophobicContact CB-CG2 3.9Å; F418-I421 HydrophobicContact CD1-CG2 4.37Å; F418-I421 WeakPolarHBondContact O-CB 3.34Å; F418-I421 PolarHBondContact O-N 3.43Å; S419-I421 VanDerWaalsContact C-N 3.31Å; S419-I421 PolarHBondContact O-N 3.09Å; I421-E423 VanDerWaalsContact C-N 3.32Å; I421-E423 PolarHBondContact O-N 2.62Å; I421-I424 HydrophobicContact CD1-CB 4.29Å; I421-I424 HydrophobicContact CD1-CG2 4.48Å; I421-I424 PolarHBondContact O-N 3.31Å; I421-F425 WeakPolarHBondContact O-CB 3.37Å; I421-F425 PolarHBondContact O-N 3.29Å; I421-Y466 HydrophobicContact CB-CE2 4.06Å; I421-Y466 HydrophobicContact CD1-CD2 4.48Å; I421-Y466 HydrophobicContact CD1-CE2 3.69Å; I421-Y466 HydrophobicContact CG1-CE2 4.44Å; I421-P511 HydrophobicContact CD1-CG 3.97Å
422	S	95.5	Very high	94.7	Very high	35 Å²	35	26.6 Å²	26.6	25%	0.245	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-43.9	176	-54.8	0	0	0	0	111.3	N420 F425 F426	N420-S422 PolarHBondContact O-N 3.42Å; S422-F425 PolarHBondContact O-N 2.9Å; S422-F426 PolarHBondContact O-N 3.28Å
423	E	95.6	Very high	94.9	Very high	39 Å²	39	25.6 Å²	25.6	18%	0.182	12%	0.118	C	C	.	.	H	α-helix	trans	-70.2	-36.8	178.4	-64.8	69.1	-159.3	0	0	111.1	I239 N420 I421 T427 N462	I239-E423 WeakPolarHBondContact CB-OE1 3.48Å; I239-E423 HydrophobicContact CD1-CG 4.19Å; I239-E423 HydrophobicContact CG2-CG 4.11Å; I239-E423 WeakPolarHBondContact CG2-OE1 3.32Å; N420-E423 WeakPolarHBondContact CA-OE2 3.5Å; N420-E423 HydrophobicContact CB-CB 4.37Å; N420-E423 HydrophobicContact CB-CG 4.4Å; N420-E423 WeakPolarHBondContact CB-OE2 3.4Å; N420-E423 PolarHBondContact O-N 3.14Å; N420-E423 VanDerWaalsContact O-OE2 3.06Å; I421-E423 VanDerWaalsContact C-N 3.32Å; I421-E423 PolarHBondContact O-N 2.62Å; E423-T427 VanDerWaalsContact O-CB 3.24Å; E423-T427 WeakPolarHBondContact O-CB 3.46Å; E423-T427 PolarHBondContact O-N 2.97Å; E423-T427 PolarHBondContact O-OG1 3.39Å; E423-N462 HydrophobicContact CB-CB 4.35Å
424	I	96.9	Very high	95	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-44.6	172.4	-61	-62.2	0	0	0	110.9	Y383 L387 N420 I421 T427 S428 N462 Y463 Y466 P511	Y383-I424 VanDerWaalsContact OH-CG2 3.26Å; Y383-I424 WeakPolarHBondContact OH-CG2 3.34Å; L387-I424 HydrophobicContact CD1-CG2 3.97Å; L387-I424 HydrophobicContact CD2-CG2 4.44Å; N420-I424 WeakPolarHBondContact O-CG1 3.38Å; N420-I424 PolarHBondContact O-N 3.08Å; I421-I424 HydrophobicContact CD1-CB 4.29Å; I421-I424 HydrophobicContact CD1-CG2 4.48Å; I421-I424 PolarHBondContact O-N 3.31Å; I424-T427 PolarHBondContact O-N 3.47Å; I424-S428 PolarHBondContact O-N 2.96Å; I424-N462 HydrophobicContact CD1-CB 4.11Å; I424-N462 WeakPolarHBondContact CD1-O 3.41Å; I424-Y463 HydrophobicContact CD1-CD1 3.84Å; I424-Y463 HydrophobicContact CD1-CD2 4.14Å; I424-Y463 HydrophobicContact CD1-CE1 4.13Å; I424-Y463 HydrophobicContact CD1-CE2 4.4Å; I424-Y463 HydrophobicContact CD1-CG 3.84Å; I424-Y463 HydrophobicContact CG2-CE1 4Å; I424-Y466 HydrophobicContact CG1-CD2 3.94Å; I424-Y466 HydrophobicContact CG1-CG 4.26Å; I424-P511 HydrophobicContact CG2-CB 4.09Å; I424-P511 HydrophobicContact CG2-CG 4.02Å
425	F	96	Very high	95	Very high	28 Å²	28	26.5 Å²	26.5	12%	0.123	13%	0.125	C	C	.	.	H	α-helix	trans	-60.3	-48.1	176.8	176.2	-101.9	0	0	0	111.5	Y384 L387 H388 I391 I421 S422 T427 S428 E429	Y384-F425 HydrophobicContact CD2-CD2 4.32Å; Y384-F425 AromaticContact CD2-CE2 3.83Å; Y384-F425 HydrophobicContact CD2-CE2 3.83Å; Y384-F425 HydrophobicContact CD2-CZ 4.4Å; Y384-F425 HydrophobicContact CE2-CD2 4.13Å; Y384-F425 HydrophobicContact CE2-CE1 4.34Å; Y384-F425 AromaticContact CE2-CE2 3.34Å; Y384-F425 HydrophobicContact CE2-CE2 3.34Å; Y384-F425 AromaticContact CE2-CZ 3.47Å; Y384-F425 HydrophobicContact CE2-CZ 3.47Å; Y384-F425 VanDerWaalsContact CE2-CZ 3.47Å; Y384-F425 AromaticContact CZ-CE2 3.78Å; Y384-F425 AromaticContact CZ-CZ 3.67Å; L387-F425 HydrophobicContact CB-CD2 3.87Å; H388-F425 HydrophobicContact CB-CE2 3.93Å; H388-F425 AromaticContact CD2-CZ 3.94Å; I391-F425 HydrophobicContact CD1-CB 4.36Å; I391-F425 HydrophobicContact CG1-CB 4.08Å; I391-F425 HydrophobicContact CG1-CD2 4.17Å; I391-F425 HydrophobicContact CG1-CG 4.01Å; I421-F425 WeakPolarHBondContact O-CB 3.37Å; I421-F425 PolarHBondContact O-N 3.29Å; S422-F425 PolarHBondContact O-N 2.9Å; F425-T427 PolarHBondContact O-N 2.9Å; F425-S428 PolarHBondContact O-N 3.39Å; F425-E429 PolarHBondContact O-N 2.64Å
426	F	96.1	Very high	95	Very high	125 Å²	125	23.2 Å²	23.2	55%	0.548	11%	0.113	S	C	.	.	H	α-helix	trans	-64	-37.8	175.4	-176.1	-107.4	0	0	0	112.9	S422 S428 E429 T430	S422-F426 PolarHBondContact O-N 3.28Å; F426-S428 VanDerWaalsContact C-N 3.31Å; F426-S428 PolarHBondContact O-N 3.08Å; F426-E429 WeakPolarHBondContact O-CB 3.4Å; F426-E429 PolarHBondContact O-N 3.43Å; F426-T430 HydrophobicContact CD1-CG2 4.33Å; F426-T430 HydrophobicContact CD2-CG2 4.47Å; F426-T430 HydrophobicContact CE1-CG2 3.83Å; F426-T430 HydrophobicContact CE2-CG2 3.98Å; F426-T430 HydrophobicContact CZ-CG2 3.63Å; F426-T430 PolarHBondContact O-N 3.35Å; F426-T430 PolarHBondContact O-OG1 3.16Å
427	T	96.8	Very high	95	Very high	2 Å²	2	25 Å²	25	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-64.3	-35.3	175.8	-57.3	0	0	0	0	111.8	E423 I424 F425 T430 F431 H459 F460 N462 Y463	E423-T427 VanDerWaalsContact O-CB 3.24Å; E423-T427 WeakPolarHBondContact O-CB 3.46Å; E423-T427 PolarHBondContact O-N 2.97Å; E423-T427 PolarHBondContact O-OG1 3.39Å; I424-T427 PolarHBondContact O-N 3.47Å; F425-T427 PolarHBondContact O-N 2.9Å; T427-T430 PolarHBondContact O-OG1 2.88Å; T427-F431 VanDerWaalsContact O-CB 3.23Å; T427-F431 WeakPolarHBondContact O-CB 3.39Å; T427-F431 PolarHBondContact O-N 3.42Å; T427-H459 HydrophobicContact CG2-CB 3.99Å; T427-F460 HydrophobicContact CG2-CD1 3.59Å; T427-F460 HydrophobicContact CG2-CE1 3.88Å; T427-N462 PolarHBondContact OG1-ND2 2.92Å; T427-N462 VanDerWaalsContact OG1-ND2 3.08Å; T427-Y463 HydrophobicContact CG2-CE2 4.02Å
428	S	96.1	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-72	-39.1	172.8	-174.4	0	0	0	0	111.7	E380 Y383 I424 F425 F426 L432	E380-S428 WeakPolarHBondContact OE1-CB 3.26Å; E380-S428 PolarHBondContact OE1-OG 3.36Å; Y383-S428 WeakPolarHBondContact CD1-OG 3.4Å; I424-S428 PolarHBondContact O-N 2.96Å; F425-S428 PolarHBondContact O-N 3.39Å; F426-S428 VanDerWaalsContact C-N 3.31Å; F426-S428 PolarHBondContact O-N 3.08Å; S428-L432 VanDerWaalsContact O-CB 3.22Å; S428-L432 WeakPolarHBondContact O-CB 3.26Å; S428-L432 PolarHBondContact O-N 2.84Å
429	E	95.6	Very high	94.8	Very high	21 Å²	21	27 Å²	27	10%	0.098	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-47.5	176.8	-161.9	168.2	-118.1	0	0	112.3	T327 V330 Y384 F425 F426 R433	T327-E429 WeakPolarHBondContact CA-OE1 3.48Å; T327-E429 WeakPolarHBondContact CB-OE1 3.23Å; T327-E429 WeakPolarHBondContact CG2-OE1 3.34Å; T327-E429 PolarHBondContact OG1-OE1 2.98Å; V330-E429 HydrophobicContact CG2-CG 4.46Å; Y384-E429 HydrophobicContact CD2-CB 4.23Å; Y384-E429 HydrophobicContact CE2-CB 3.64Å; Y384-E429 HydrophobicContact CE2-CG 3.7Å; Y384-E429 PolarHBondContact OH-OE1 3.11Å; F425-E429 PolarHBondContact O-N 2.64Å; F426-E429 WeakPolarHBondContact O-CB 3.4Å; F426-E429 PolarHBondContact O-N 3.43Å; E429-R433 VanDerWaalsContact O-CB 3.23Å; E429-R433 WeakPolarHBondContact O-CB 3.45Å; E429-R433 PolarHBondContact O-N 3.46Å; E429-R433 VanDerWaalsContact O-N 3.09Å
430	T	95.7	Very high	94.6	Very high	31 Å²	31	31.2 Å²	31.2	19%	0.19	15%	0.152	C	C	.	.	H	α-helix	trans	-69.3	-44	179.1	55.8	0	0	0	0	112.1	F426 T427 R433 D434	F426-T430 HydrophobicContact CD1-CG2 4.33Å; F426-T430 HydrophobicContact CD2-CG2 4.47Å; F426-T430 HydrophobicContact CE1-CG2 3.83Å; F426-T430 HydrophobicContact CE2-CG2 3.98Å; F426-T430 HydrophobicContact CZ-CG2 3.63Å; F426-T430 PolarHBondContact O-N 3.35Å; F426-T430 PolarHBondContact O-OG1 3.16Å; T427-T430 PolarHBondContact O-OG1 2.88Å; T430-R433 PolarHBondContact O-N 3.13Å; T430-D434 PolarHBondContact O-N 2.74Å
431	F	96.6	Very high	94.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-44.4	178.5	176.5	-134.9	0	0	0	112.3	V376 E380 T427 M435 I451 I452 H455 F460 L518	V376-F431 HydrophobicContact CG1-CZ 4.45Å; E380-F431 VanDerWaalsContact CD-CD1 3.44Å; E380-F431 HydrophobicContact CG-CD1 3.89Å; E380-F431 HydrophobicContact CG-CE1 4.17Å; E380-F431 WeakPolarHBondContact OE2-CD1 3.42Å; E380-F431 WeakPolarHBondContact OE2-CE1 3.31Å; T427-F431 VanDerWaalsContact O-CB 3.23Å; T427-F431 WeakPolarHBondContact O-CB 3.39Å; T427-F431 PolarHBondContact O-N 3.42Å; F431-M435 HydrophobicContact CD1-CE 3.85Å; F431-M435 HydrophobicContact CD2-CE 3.96Å; F431-M435 HydrophobicContact CD2-CG 4.36Å; F431-M435 HydrophobicContact CD2-SD 4.28Å; F431-M435 HydrophobicContact CE1-CE 3.58Å; F431-M435 HydrophobicContact CE1-SD 4.29Å; F431-M435 HydrophobicContact CE2-CE 3.7Å; F431-M435 HydrophobicContact CE2-CG 4.06Å; F431-M435 HydrophobicContact CE2-SD 3.58Å; F431-M435 VanDerWaalsContact CE2-SD 3.58Å; F431-M435 HydrophobicContact CG-CE 4.02Å; F431-M435 HydrophobicContact CZ-CE 3.49Å; F431-M435 VanDerWaalsContact CZ-CE 3.49Å; F431-M435 HydrophobicContact CZ-SD 3.58Å; F431-M435 VanDerWaalsContact CZ-SD 3.58Å; F431-M435 WeakPolarHBondContact O-CG 3.29Å; F431-M435 PolarHBondContact O-N 2.82Å; F431-I451 HydrophobicContact CD2-CG2 4.4Å; F431-I451 HydrophobicContact CE2-CG2 4.37Å; F431-I452 HydrophobicContact CE2-CG1 4.08Å; F431-I452 HydrophobicContact CZ-CG1 3.99Å; F431-H455 VanDerWaalsContact CA-CE1 3.46Å; F431-H455 WeakPolarHBondContact CA-CE1 3.25Å; F431-H455 HydrophobicContact CD2-CB 3.9Å; F431-H455 AromaticContact CD2-CD2 3.81Å; F431-H455 AromaticContact CD2-CG 3.68Å; F431-H455 HydrophobicContact CE2-CB 4.45Å; F431-H455 HydrophobicContact CG-CB 4.43Å; F431-H455 PolarHBondContact N-CE1 3.42Å; F431-F460 HydrophobicContact CB-CE1 4.39Å; F431-F460 HydrophobicContact CD1-CE1 4.23Å; F431-F460 AromaticContact CD1-CZ 3.79Å; F431-F460 HydrophobicContact CD1-CZ 3.79Å; F431-F460 HydrophobicContact CD2-CZ 4.41Å; F431-F460 AromaticContact CE1-CZ 3.94Å; F431-F460 HydrophobicContact CE1-CZ 3.94Å; F431-F460 HydrophobicContact CG-CE1 4.23Å; F431-F460 HydrophobicContact CG-CZ 4.05Å; F431-F460 HydrophobicContact CZ-CZ 4.33Å; F431-L518 HydrophobicContact CE1-CD2 4.27Å
432	L	95.6	Very high	94.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-44.5	175.5	-179.7	54.7	0	0	0	111.8	V330 F333 V334 I377 E380 A381 Y384 S428 M435 E436	V330-L432 HydrophobicContact CG1-CD2 3.75Å; V330-L432 HydrophobicContact CG1-CG 4.17Å; F333-L432 HydrophobicContact CD1-CD1 4.32Å; F333-L432 HydrophobicContact CE1-CD1 4.08Å; V334-L432 HydrophobicContact CG2-CD2 3.51Å; I377-L432 HydrophobicContact CG2-CD1 4.3Å; E380-L432 HydrophobicContact CB-CD1 4.14Å; E380-L432 HydrophobicContact CG-CB 3.87Å; E380-L432 HydrophobicContact CG-CD1 4.19Å; E380-L432 HydrophobicContact CG-CG 4.48Å; A381-L432 HydrophobicContact CB-CD1 4.12Å; A381-L432 HydrophobicContact CB-CD2 4.13Å; Y384-L432 HydrophobicContact CD1-CD2 4.3Å; Y384-L432 HydrophobicContact CG-CD2 4.12Å; S428-L432 VanDerWaalsContact O-CB 3.22Å; S428-L432 WeakPolarHBondContact O-CB 3.26Å; S428-L432 PolarHBondContact O-N 2.84Å; L432-M435 PolarHBondContact O-N 3.05Å; L432-E436 WeakPolarHBondContact O-CB 3.36Å; L432-E436 PolarHBondContact O-N 3.02Å
433	R	94.1	Very high	94	Very high	64 Å²	64	40.4 Å²	40.4	24%	0.242	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-40.3	-179.3	-172.1	-172.3	-172.5	-171.1	8	113.1	Q326 E329 V330 E429 T430 M435 E436 L437	Q326-R433 VanDerWaalsContact CD-NH2 3.31Å; Q326-R433 VanDerWaalsContact CG-NH2 3.34Å; E329-R433 IonicContact OE2-NH2 2.67Å; V330-R433 HydrophobicContact CG2-CB 3.86Å; V330-R433 HydrophobicContact CG2-CG 4Å; E429-R433 VanDerWaalsContact O-CB 3.23Å; E429-R433 WeakPolarHBondContact O-CB 3.45Å; E429-R433 PolarHBondContact O-N 3.46Å; E429-R433 VanDerWaalsContact O-N 3.09Å; T430-R433 PolarHBondContact O-N 3.13Å; R433-M435 VanDerWaalsContact C-N 3.3Å; R433-M435 PolarHBondContact O-N 2.82Å; R433-E436 WeakPolarHBondContact O-CB 3.35Å; R433-E436 PolarHBondContact O-N 3.17Å; R433-L437 HydrophobicContact CG-CD1 4.09Å; R433-L437 HydrophobicContact CG-CG 4.41Å; R433-L437 WeakPolarHBondContact O-CB 3.23Å; R433-L437 VanDerWaalsContact O-CG 3.27Å; R433-L437 WeakPolarHBondContact O-CG 3.41Å; R433-L437 PolarHBondContact O-N 3.38Å
434	D	94.1	Very high	93.7	Very high	69 Å²	69	41.1 Å²	41.1	37%	0.369	20%	0.2	S	C	.	.	H	α-helix	trans	-67.6	-35.1	178.1	-69.8	-16.3	0	0	0	111	T430 Y438 I451 H455	T430-D434 PolarHBondContact O-N 2.74Å; D434-Y438 WeakPolarHBondContact O-CB 3.39Å; D434-Y438 PolarHBondContact O-N 3.18Å; D434-Y438 VanDerWaalsContact O-N 3.11Å; D434-I451 HydrophobicContact CB-CG2 4.12Å; D434-H455 IonicContact OD2-CD2 3.38Å; D434-H455 IonicContact OD2-CE1 3.07Å; D434-H455 PolarHBondContact OD2-CE1 3.38Å; D434-H455 IonicContact OD2-NE2 3.8Å; D434-H455 PolarHBondContact OD2-NE2 3.4Å
435	M	94.4	Very high	93.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69.5	-40.7	171.5	-66.9	-171	-69.5	0	0	113	V376 I377 E380 F431 L432 R433 Y438 F439 L448 I451	V376-M435 HydrophobicContact CG1-SD 3.96Å; I377-M435 HydrophobicContact CD1-CB 4.19Å; I377-M435 HydrophobicContact CG1-CB 4.12Å; I377-M435 HydrophobicContact CG1-SD 4.1Å; E380-M435 HydrophobicContact CB-CE 3.66Å; E380-M435 HydrophobicContact CG-CE 3.73Å; F431-M435 HydrophobicContact CD1-CE 3.85Å; F431-M435 HydrophobicContact CD2-CE 3.96Å; F431-M435 HydrophobicContact CD2-CG 4.36Å; F431-M435 HydrophobicContact CD2-SD 4.28Å; F431-M435 HydrophobicContact CE1-CE 3.58Å; F431-M435 HydrophobicContact CE1-SD 4.29Å; F431-M435 HydrophobicContact CE2-CE 3.7Å; F431-M435 HydrophobicContact CE2-CG 4.06Å; F431-M435 HydrophobicContact CE2-SD 3.58Å; F431-M435 VanDerWaalsContact CE2-SD 3.58Å; F431-M435 HydrophobicContact CG-CE 4.02Å; F431-M435 HydrophobicContact CZ-CE 3.49Å; F431-M435 VanDerWaalsContact CZ-CE 3.49Å; F431-M435 HydrophobicContact CZ-SD 3.58Å; F431-M435 VanDerWaalsContact CZ-SD 3.58Å; F431-M435 WeakPolarHBondContact O-CG 3.29Å; F431-M435 PolarHBondContact O-N 2.82Å; L432-M435 PolarHBondContact O-N 3.05Å; R433-M435 VanDerWaalsContact C-N 3.3Å; R433-M435 PolarHBondContact O-N 2.82Å; M435-Y438 PolarHBondContact O-N 3.06Å; M435-F439 WeakPolarHBondContact O-CB 3.35Å; M435-F439 PolarHBondContact O-N 3.23Å; M435-L448 HydrophobicContact CB-CD1 4.28Å; M435-L448 HydrophobicContact CG-CD1 3.67Å; M435-L448 HydrophobicContact SD-CD1 3.78Å; M435-I451 HydrophobicContact CG-CG2 4.12Å
436	E	91.9	Very high	93	Very high	22 Å²	22	41.8 Å²	41.8	10%	0.103	21%	0.207	C	C	.	.	H	α-helix	trans	-57.8	-53.9	173.6	174.1	-173.3	167	0	0	110.9	F333 L432 R433 Y438 F439 I440	F333-E436 VanDerWaalsContact CB-CD 3.48Å; F333-E436 HydrophobicContact CB-CG 4.09Å; F333-E436 HydrophobicContact CD1-CB 3.69Å; F333-E436 HydrophobicContact CD1-CG 3.62Å; F333-E436 HydrophobicContact CD2-CG 3.88Å; F333-E436 HydrophobicContact CE1-CB 3.64Å; F333-E436 HydrophobicContact CE1-CG 3.92Å; F333-E436 HydrophobicContact CE2-CG 4.15Å; F333-E436 HydrophobicContact CG-CB 4.21Å; F333-E436 HydrophobicContact CG-CG 3.59Å; F333-E436 HydrophobicContact CZ-CB 4.11Å; F333-E436 HydrophobicContact CZ-CG 4.17Å; L432-E436 WeakPolarHBondContact O-CB 3.36Å; L432-E436 PolarHBondContact O-N 3.02Å; R433-E436 WeakPolarHBondContact O-CB 3.35Å; R433-E436 PolarHBondContact O-N 3.17Å; E436-Y438 VanDerWaalsContact C-N 3.26Å; E436-Y438 PolarHBondContact O-N 3.28Å; E436-F439 PolarHBondContact O-N 3.16Å; E436-I440 HydrophobicContact CG-CD1 3.81Å; E436-I440 VanDerWaalsContact O-CG1 3.32Å; E436-I440 WeakPolarHBondContact O-CG1 3.14Å; E436-I440 PolarHBondContact O-N 3.33Å
437	L	92	Very high	92.6	Very high	76 Å²	76	40.8 Å²	40.8	40%	0.398	20%	0.204	S	C	.	.	H	α-helix	trans	-60.6	-35.7	179.6	-71.3	172	0	0	0	111.9	R433 Q441	R433-L437 HydrophobicContact CG-CD1 4.09Å; R433-L437 HydrophobicContact CG-CG 4.41Å; R433-L437 WeakPolarHBondContact O-CB 3.23Å; R433-L437 VanDerWaalsContact O-CG 3.27Å; R433-L437 WeakPolarHBondContact O-CG 3.41Å; R433-L437 PolarHBondContact O-N 3.38Å; L437-Q441 VanDerWaalsContact O-CG 3.24Å; L437-Q441 WeakPolarHBondContact O-CG 3.18Å; L437-Q441 PolarHBondContact O-N 3.22Å; L437-Q441 PolarHBondContact O-NE2 3.09Å
438	Y	92.8	Very high	92.5	Very high	41 Å²	41	40.7 Å²	40.7	16%	0.161	20%	0.203	C	C	.	.	H	α-helix	trans	-72.9	-40.6	175.8	-174.4	-124.2	0	0	0	112.7	D434 M435 E436 Q441 N442 I445 P446 Q447 I451	D434-Y438 WeakPolarHBondContact O-CB 3.39Å; D434-Y438 PolarHBondContact O-N 3.18Å; D434-Y438 VanDerWaalsContact O-N 3.11Å; M435-Y438 PolarHBondContact O-N 3.06Å; E436-Y438 VanDerWaalsContact C-N 3.26Å; E436-Y438 PolarHBondContact O-N 3.28Å; Y438-Q441 PolarHBondContact O-N 2.91Å; Y438-N442 PolarHBondContact O-N 2.92Å; Y438-I445 HydrophobicContact CD1-CG2 3.55Å; Y438-I445 HydrophobicContact CE1-CB 4.39Å; Y438-I445 HydrophobicContact CE1-CG2 3.67Å; Y438-P446 WeakPolarHBondContact OH-CD 3.36Å; Y438-Q447 WeakPolarHBondContact OH-CB 3.46Å; Y438-Q447 PolarHBondContact OH-N 2.89Å; Y438-Q447 VanDerWaalsContact OH-N 3.12Å; Y438-I451 HydrophobicContact CD1-CD1 3.59Å; Y438-I451 HydrophobicContact CE1-CD1 4.39Å; Y438-I451 HydrophobicContact CG-CD1 3.69Å
439	F	91.7	Very high	92.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-42.9	175.3	175.4	-106.5	0	0	0	112.1	F333 M350 V353 F374 I377 M435 E436 Q441 N442 P443 I445	F333-F439 HydrophobicContact CE2-CD1 4.26Å; F333-F439 HydrophobicContact CZ-CD1 4.44Å; M350-F439 HydrophobicContact CB-CZ 4.04Å; M350-F439 HydrophobicContact CE-CE1 3.91Å; M350-F439 HydrophobicContact CE-CZ 4.26Å; M350-F439 HydrophobicContact CG-CZ 4.02Å; V353-F439 HydrophobicContact CG2-CE2 4.31Å; V353-F439 HydrophobicContact CG2-CZ 4.24Å; F374-F439 HydrophobicContact CD2-CD2 4.3Å; F374-F439 HydrophobicContact CD2-CE2 4.07Å; F374-F439 HydrophobicContact CE2-CD1 4.49Å; F374-F439 HydrophobicContact CE2-CD2 4.14Å; F374-F439 HydrophobicContact CE2-CE1 4.2Å; F374-F439 AromaticContact CE2-CE2 3.81Å; F374-F439 HydrophobicContact CE2-CE2 3.81Å; F374-F439 HydrophobicContact CE2-CG 4.46Å; F374-F439 AromaticContact CE2-CZ 3.85Å; F374-F439 HydrophobicContact CE2-CZ 3.85Å; F374-F439 HydrophobicContact CZ-CZ 4.45Å; I377-F439 HydrophobicContact CD1-CB 4.21Å; M435-F439 WeakPolarHBondContact O-CB 3.35Å; M435-F439 PolarHBondContact O-N 3.23Å; E436-F439 PolarHBondContact O-N 3.16Å; F439-Q441 VanDerWaalsContact C-N 3.27Å; F439-Q441 PolarHBondContact O-N 2.97Å; F439-N442 CarbonylContact O-C 3.54Å; F439-N442 VanDerWaalsContact O-C 3.24Å; F439-N442 PolarHBondContact O-N 3.26Å; F439-P443 HydrophobicContact CD2-CB 4.36Å; F439-P443 HydrophobicContact CE2-CB 3.92Å; F439-P443 HydrophobicContact CZ-CB 4.41Å; F439-P443 WeakPolarHBondContact O-CD 3.4Å; F439-I445 HydrophobicContact CD2-CD1 3.65Å; F439-I445 HydrophobicContact CD2-CG1 4Å; F439-I445 HydrophobicContact CE2-CD1 4.22Å
440	I	89.5	Confident	92.6	Very high	100 Å²	100	41.7 Å²	41.7	51%	0.513	21%	0.208	S	C	.	.	H	α-helix	trans	-62.1	-35	175.9	-68	167.7	0	0	0	111.5	E436	E436-I440 HydrophobicContact CG-CD1 3.81Å; E436-I440 VanDerWaalsContact O-CG1 3.32Å; E436-I440 WeakPolarHBondContact O-CG1 3.14Å; E436-I440 PolarHBondContact O-N 3.33Å
441	Q	90.2	Very high	92.6	Very high	152 Å²	152	41.7 Å²	41.7	71%	0.71	21%	0.206	S	C	*	.	H	α-helix	trans	-78.7	-34.9	176.6	-73.1	168.5	56.8	0	0	113.3	L437 Y438 F439	L437-Q441 VanDerWaalsContact O-CG 3.24Å; L437-Q441 WeakPolarHBondContact O-CG 3.18Å; L437-Q441 PolarHBondContact O-N 3.22Å; L437-Q441 PolarHBondContact O-NE2 3.09Å; Y438-Q441 PolarHBondContact O-N 2.91Å; F439-Q441 VanDerWaalsContact C-N 3.27Å; F439-Q441 PolarHBondContact O-N 2.97Å
442	N	91.7	Very high	92.6	Very high	55 Å²	55	41.7 Å²	41.7	29%	0.294	21%	0.207	S	C	.	.			trans	-150.1	94.8	-177.7	-175.2	-10.5	0	0	0	111	Y438 F439 L444 I445	Y438-N442 PolarHBondContact O-N 2.92Å; F439-N442 CarbonylContact O-C 3.54Å; F439-N442 VanDerWaalsContact O-C 3.24Å; F439-N442 PolarHBondContact O-N 3.26Å; N442-L444 PolarHBondContact O-N 3.05Å; N442-L444 WeakPolarHBondContact OD1-CB 3.26Å; N442-L444 PolarHBondContact OD1-N 3.36Å; N442-L444 VanDerWaalsContact OD1-N 3.08Å; N442-I445 PolarHBondContact O-N 3.15Å
443	P	91.3	Very high	92.7	Very high	23 Å²	23	41.7 Å²	41.7	15%	0.149	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-8	-179.8	-25.3	34.9	0	0	0	115.6	W347 Q352 V353 L358 F439 I445	W347-P443 PolarHBondContact NE1-O 2.64Å; Q352-P443 HydrophobicContact CB-CG 4.26Å; V353-P443 HydrophobicContact CG2-CB 3.88Å; L358-P443 HydrophobicContact CD1-CB 3.89Å; L358-P443 HydrophobicContact CD1-CG 4.39Å; F439-P443 HydrophobicContact CD2-CB 4.36Å; F439-P443 HydrophobicContact CE2-CB 3.92Å; F439-P443 HydrophobicContact CZ-CB 4.41Å; F439-P443 WeakPolarHBondContact O-CD 3.4Å; P443-I445 WeakPolarHBondContact O-CG1 3.37Å
444	L	89.6	Confident	92.8	Very high	55 Å²	55	42.6 Å²	42.6	29%	0.288	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-5	173.1	-64.6	169.6	0	0	0	113.6	W347 L358 L362 Q370 N442 P446	W347-L444 HydrophobicContact CH2-CD2 4.41Å; W347-L444 HydrophobicContact CZ2-CD2 3.89Å; L358-L444 HydrophobicContact CD1-CD2 4.43Å; L358-L444 HydrophobicContact CD1-CG 4.3Å; L358-L444 HydrophobicContact CD2-CD1 4.47Å; L362-L444 HydrophobicContact CD1-CD2 4.4Å; Q370-L444 PolarHBondContact NE2-O 3.5Å; Q370-L444 PolarHBondContact OE1-O 3.45Å; N442-L444 PolarHBondContact O-N 3.05Å; N442-L444 WeakPolarHBondContact OD1-CB 3.26Å; N442-L444 PolarHBondContact OD1-N 3.36Å; N442-L444 VanDerWaalsContact OD1-N 3.08Å; L444-P446 VanDerWaalsContact C-N 3.33Å; L444-P446 VanDerWaalsContact O-CD 3.29Å; L444-P446 WeakPolarHBondContact O-CD 3.43Å
445	I	90.2	Very high	93	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.			trans	46	34.2	166.5	-12.3	-179	0	0	0	117.2	F374 I377 Y438 F439 N442 P443 Q447 L448	F374-I445 HydrophobicContact CD2-CD1 4.06Å; I377-I445 HydrophobicContact CD1-CD1 3.9Å; I377-I445 HydrophobicContact CD1-CG2 4.35Å; Y438-I445 HydrophobicContact CD1-CG2 3.55Å; Y438-I445 HydrophobicContact CE1-CB 4.39Å; Y438-I445 HydrophobicContact CE1-CG2 3.67Å; F439-I445 HydrophobicContact CD2-CD1 3.65Å; F439-I445 HydrophobicContact CD2-CG1 4Å; F439-I445 HydrophobicContact CE2-CD1 4.22Å; N442-I445 PolarHBondContact O-N 3.15Å; P443-I445 WeakPolarHBondContact O-CG1 3.37Å; I445-Q447 VanDerWaalsContact C-N 3.26Å; I445-Q447 PolarHBondContact O-N 3.24Å; I445-L448 HydrophobicContact CG2-CB 3.92Å; I445-L448 HydrophobicContact CG2-CD1 3.9Å; I445-L448 HydrophobicContact CG2-CD2 4.2Å; I445-L448 HydrophobicContact CG2-CG 4.23Å; I445-L448 PolarHBondContact O-N 3.08Å; I445-L448 VanDerWaalsContact O-N 3.14Å
446	P	86.9	Confident	93.1	Very high	42 Å²	42	40 Å²	40	27%	0.273	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.7	-161	27.8	-37.2	0	0	0	115.3	Y438 L444 T535	Y438-P446 WeakPolarHBondContact OH-CD 3.36Å; L444-P446 VanDerWaalsContact C-N 3.33Å; L444-P446 VanDerWaalsContact O-CD 3.29Å; L444-P446 WeakPolarHBondContact O-CD 3.43Å; P446-T535 PolarHBondContact O-OG1 2.86Å
447	Q	88.6	Confident	93.3	Very high	103 Å²	103	41.3 Å²	41.3	48%	0.481	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	22.2	-179.4	-54.9	178.6	38.9	0	0	113.1	Y438 I445 C449 E450 V534	Y438-Q447 WeakPolarHBondContact OH-CB 3.46Å; Y438-Q447 PolarHBondContact OH-N 2.89Å; Y438-Q447 VanDerWaalsContact OH-N 3.12Å; I445-Q447 VanDerWaalsContact C-N 3.26Å; I445-Q447 PolarHBondContact O-N 3.24Å; Q447-C449 PolarHBondContact O-N 2.6Å; Q447-C449 VanDerWaalsContact O-N 3.09Å; Q447-E450 HydrophobicContact CB-CG 4.47Å; Q447-E450 PolarHBondContact O-N 3.25Å; Q447-V534 HydrophobicContact CG-CG1 4.38Å
448	L	94.6	Very high	93.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-51.1	-36.1	177.6	-170.3	58.5	0	0	0	113	L373 V376 I377 M435 I445 E450 I451 I452	L373-L448 HydrophobicContact CB-CD2 4.06Å; L373-L448 HydrophobicContact CD2-CB 3.93Å; L373-L448 HydrophobicContact CD2-CD2 3.98Å; L373-L448 WeakPolarHBondContact O-CD2 3.45Å; V376-L448 HydrophobicContact CB-CD2 4.12Å; V376-L448 HydrophobicContact CG2-CD2 4.36Å; I377-L448 HydrophobicContact CD1-CD1 4.4Å; I377-L448 HydrophobicContact CG1-CD1 4.45Å; I377-L448 HydrophobicContact CG1-CD2 4.32Å; M435-L448 HydrophobicContact CB-CD1 4.28Å; M435-L448 HydrophobicContact CG-CD1 3.67Å; M435-L448 HydrophobicContact SD-CD1 3.78Å; I445-L448 HydrophobicContact CG2-CB 3.92Å; I445-L448 HydrophobicContact CG2-CD1 3.9Å; I445-L448 HydrophobicContact CG2-CD2 4.2Å; I445-L448 HydrophobicContact CG2-CG 4.23Å; I445-L448 PolarHBondContact O-N 3.08Å; I445-L448 VanDerWaalsContact O-N 3.14Å; L448-E450 VanDerWaalsContact C-N 3.29Å; L448-E450 PolarHBondContact O-N 2.98Å; L448-I451 HydrophobicContact CD1-CD1 4.46Å; L448-I451 WeakPolarHBondContact O-CB 3.45Å; L448-I451 PolarHBondContact O-N 3.32Å; L448-I451 VanDerWaalsContact O-N 3.12Å; L448-I452 HydrophobicContact CG-CD1 4.28Å; L448-I452 WeakPolarHBondContact O-CG1 3.5Å; L448-I452 PolarHBondContact O-N 3.49Å
449	C	96.6	Very high	93.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-30.8	177.5	-57	0	0	0	0	113.7	Q447 I452 Y453 S538 A542	Q447-C449 PolarHBondContact O-N 2.6Å; Q447-C449 VanDerWaalsContact O-N 3.09Å; C449-I452 PolarHBondContact O-N 3.1Å; C449-Y453 WeakPolarHBondContact O-CB 3.48Å; C449-Y453 PolarHBondContact O-N 2.94Å; C449-S538 VanDerWaalsContact CB-C 3.49Å; C449-S538 WeakPolarHBondContact CB-OG 3.43Å; C449-A542 HydrophobicContact CB-CB 4.25Å; C449-A542 WeakPolarHBondContact O-CB 3.33Å
450	E	95.7	Very high	93.8	Very high	42 Å²	42	44.2 Å²	44.2	20%	0.196	22%	0.222	C	C	.	.	H	α-helix	trans	-70.9	-36.2	174.1	-64.1	-67.7	136.3	0	0	111	Q447 L448 Y453 E454 S538 R860	Q447-E450 HydrophobicContact CB-CG 4.47Å; Q447-E450 PolarHBondContact O-N 3.25Å; L448-E450 VanDerWaalsContact C-N 3.29Å; L448-E450 PolarHBondContact O-N 2.98Å; E450-Y453 PolarHBondContact O-N 3.11Å; E450-E454 WeakPolarHBondContact O-CG 3.44Å; E450-E454 PolarHBondContact O-N 3.38Å; E450-S538 WeakPolarHBondContact OE1-CA 3.35Å; E450-S538 WeakPolarHBondContact OE1-CB 3.45Å; E450-R860 IonicContact OE2-CZ 2.93Å; E450-R860 IonicContact OE2-NE 3.55Å; E450-R860 PolarHBondContact OE2-NE 2.76Å; E450-R860 IonicContact OE2-NH2 2.68Å; E450-R860 PolarHBondContact OE2-NH2 2.96Å
451	I	96.2	Very high	94.1	Very high	31 Å²	31	43.3 Å²	43.3	16%	0.159	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-44.3	173	-55.3	177.9	0	0	0	110.2	F431 D434 M435 Y438 L448 Y453 E454 H455	F431-I451 HydrophobicContact CD2-CG2 4.4Å; F431-I451 HydrophobicContact CE2-CG2 4.37Å; D434-I451 HydrophobicContact CB-CG2 4.12Å; M435-I451 HydrophobicContact CG-CG2 4.12Å; Y438-I451 HydrophobicContact CD1-CD1 3.59Å; Y438-I451 HydrophobicContact CE1-CD1 4.39Å; Y438-I451 HydrophobicContact CG-CD1 3.69Å; L448-I451 HydrophobicContact CD1-CD1 4.46Å; L448-I451 WeakPolarHBondContact O-CB 3.45Å; L448-I451 PolarHBondContact O-N 3.32Å; L448-I451 VanDerWaalsContact O-N 3.12Å; I451-Y453 VanDerWaalsContact C-N 3.32Å; I451-Y453 PolarHBondContact O-N 3.48Å; I451-E454 PolarHBondContact O-N 3.21Å; I451-H455 WeakPolarHBondContact O-CB 3.37Å; I451-H455 PolarHBondContact O-CD2 2.62Å; I451-H455 PolarHBondContact O-N 3.01Å
452	I	97.3	Very high	94.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-59.8	-44	175.4	-62.4	167	0	0	0	110.5	V376 F431 L448 C449 T456 L522 A542 I546	V376-I452 HydrophobicContact CG1-CD1 4.07Å; V376-I452 HydrophobicContact CG2-CD1 4.44Å; F431-I452 HydrophobicContact CE2-CG1 4.08Å; F431-I452 HydrophobicContact CZ-CG1 3.99Å; L448-I452 HydrophobicContact CG-CD1 4.28Å; L448-I452 WeakPolarHBondContact O-CG1 3.5Å; L448-I452 PolarHBondContact O-N 3.49Å; C449-I452 PolarHBondContact O-N 3.1Å; I452-T456 VanDerWaalsContact O-CB 3.3Å; I452-T456 WeakPolarHBondContact O-CB 3.19Å; I452-T456 PolarHBondContact O-N 3.02Å; I452-T456 PolarHBondContact O-OG1 3Å; I452-L522 HydrophobicContact CD1-CD2 3.88Å; I452-L522 HydrophobicContact CG2-CD1 4.18Å; I452-A542 HydrophobicContact CB-CB 4.46Å; I452-A542 HydrophobicContact CG2-CB 4.28Å; I452-I546 HydrophobicContact CG2-CD1 3.7Å
453	Y	97.5	Very high	94.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-51.6	178.2	171.1	-111.8	0	0	0	112.7	C449 E450 I451 H455 T456 E457 V541 Y857 R860 K861 E864	C449-Y453 WeakPolarHBondContact O-CB 3.48Å; C449-Y453 PolarHBondContact O-N 2.94Å; E450-Y453 PolarHBondContact O-N 3.11Å; I451-Y453 VanDerWaalsContact C-N 3.32Å; I451-Y453 PolarHBondContact O-N 3.48Å; Y453-H455 VanDerWaalsContact C-N 3.34Å; Y453-H455 PolarHBondContact O-N 2.73Å; Y453-T456 PolarHBondContact O-N 3.28Å; Y453-T456 VanDerWaalsContact O-N 3.12Å; Y453-E457 HydrophobicContact CD2-CG 3.97Å; Y453-E457 HydrophobicContact CE2-CG 3.58Å; Y453-E457 PolarHBondContact O-N 2.94Å; Y453-V541 HydrophobicContact CD1-CG1 4.3Å; Y453-V541 HydrophobicContact CD2-CG1 3.54Å; Y453-V541 HydrophobicContact CE1-CG1 4.31Å; Y453-V541 HydrophobicContact CE2-CG1 3.52Å; Y453-V541 HydrophobicContact CG-CG1 3.91Å; Y453-Y857 HydrophobicContact CE2-CD2 4.18Å; Y453-Y857 HydrophobicContact CE2-CE2 4.12Å; Y453-R860 HydrophobicContact CE1-CG 4.05Å; Y453-R860 WeakPolarHBondContact OH-CG 3.35Å; Y453-K861 WeakPolarHBondContact OH-CD 3.47Å; Y453-K861 WeakPolarHBondContact OH-CE 3.24Å; Y453-K861 PolarHBondContact OH-NZ 2.87Å; Y453-E864 WeakPolarHBondContact CE1-OE1 3.39Å; Y453-E864 VanDerWaalsContact OH-CD 3.3Å; Y453-E864 PolarHBondContact OH-OE1 3.17Å; Y453-E864 PolarHBondContact OH-OE2 2.82Å
454	E	96.2	Very high	94.8	Very high	82 Å²	82	33.9 Å²	33.9	38%	0.383	17%	0.169	S	C	.	.	H	α-helix	trans	-62.6	-39.6	-179.8	-69	-64.8	164.6	0	0	111.6	E450 I451 N458 R860	E450-E454 WeakPolarHBondContact O-CG 3.44Å; E450-E454 PolarHBondContact O-N 3.38Å; I451-E454 PolarHBondContact O-N 3.21Å; E454-N458 VanDerWaalsContact O-CB 3.27Å; E454-N458 WeakPolarHBondContact O-CB 3.45Å; E454-N458 PolarHBondContact O-N 2.92Å; E454-N458 PolarHBondContact O-ND2 3.38Å; E454-N458 PolarHBondContact OE2-ND2 3.35Å; E454-R860 IonicContact OE1-NH2 3.67Å
455	H	97.4	Very high	95.1	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.028	17%	0.168	C	C	.	.	H	α-helix	trans	-68	-35.6	173.5	-87.4	-88.1	0	0	0	113.1	F431 D434 I451 Y453 H459 F460	F431-H455 VanDerWaalsContact CA-CE1 3.46Å; F431-H455 WeakPolarHBondContact CA-CE1 3.25Å; F431-H455 HydrophobicContact CD2-CB 3.9Å; F431-H455 AromaticContact CD2-CD2 3.81Å; F431-H455 AromaticContact CD2-CG 3.68Å; F431-H455 HydrophobicContact CE2-CB 4.45Å; F431-H455 HydrophobicContact CG-CB 4.43Å; F431-H455 PolarHBondContact N-CE1 3.42Å; D434-H455 IonicContact OD2-CD2 3.38Å; D434-H455 IonicContact OD2-CE1 3.07Å; D434-H455 PolarHBondContact OD2-CE1 3.38Å; D434-H455 IonicContact OD2-NE2 3.8Å; D434-H455 PolarHBondContact OD2-NE2 3.4Å; I451-H455 WeakPolarHBondContact O-CB 3.37Å; I451-H455 PolarHBondContact O-CD2 2.62Å; I451-H455 PolarHBondContact O-N 3.01Å; Y453-H455 VanDerWaalsContact C-N 3.34Å; Y453-H455 PolarHBondContact O-N 2.73Å; H455-H459 AromaticContact CE1-CE1 3.81Å; H455-H459 AromaticContact CE1-ND1 3.3Å; H455-H459 PolarHBondContact CE1-ND1 3.1Å; H455-H459 VanDerWaalsContact CE1-ND1 3.3Å; H455-H459 AromaticContact CG-ND1 3.71Å; H455-H459 AromaticContact ND1-CE1 3.88Å; H455-H459 AromaticContact ND1-CG 3.91Å; H455-H459 AromaticContact ND1-ND1 2.96Å; H455-H459 PolarHBondContact ND1-ND1 3.5Å; H455-H459 WeakPolarHBondContact O-CA 3.44Å; H455-H459 PolarHBondContact O-N 3.42Å; H455-F460 HydrophobicContact CB-CD1 4.33Å; H455-F460 HydrophobicContact CB-CE1 3.77Å; H455-F460 HydrophobicContact CB-CZ 3.95Å; H455-F460 WeakPolarHBondContact O-CD1 2.95Å; H455-F460 WeakPolarHBondContact O-CG 3.41Å; H455-F460 PolarHBondContact O-N 3.25Å
456	T	97.2	Very high	95.3	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.049	17%	0.169	C	C	.	.	H	α-helix	trans	-67.1	-41.4	177.7	-57.1	0	0	0	0	112.2	I452 Y453 F460 S545 I546 L549	I452-T456 VanDerWaalsContact O-CB 3.3Å; I452-T456 WeakPolarHBondContact O-CB 3.19Å; I452-T456 PolarHBondContact O-N 3.02Å; I452-T456 PolarHBondContact O-OG1 3Å; Y453-T456 PolarHBondContact O-N 3.28Å; Y453-T456 VanDerWaalsContact O-N 3.12Å; T456-F460 HydrophobicContact CG2-CD2 4.16Å; T456-F460 WeakPolarHBondContact OG1-CD2 3.37Å; T456-F460 WeakPolarHBondContact OG1-CE2 3.47Å; T456-S545 WeakPolarHBondContact CB-OG 3.19Å; T456-S545 WeakPolarHBondContact CG2-OG 3.3Å; T456-I546 HydrophobicContact CG2-CG1 3.74Å; T456-I546 WeakPolarHBondContact OG1-CG1 3.22Å; T456-L549 HydrophobicContact CG2-CB 4.12Å; T456-L549 HydrophobicContact CG2-CD2 3.98Å
457	E	95.5	Very high	95.6	Very high	50 Å²	50	32.5 Å²	32.5	23%	0.234	16%	0.156	C	C	.	.	H	α-helix	trans	-78.8	-34.6	179.7	-65.9	-69.8	123.9	0	0	113.4	Y453 S545 K548 K861	Y453-E457 HydrophobicContact CD2-CG 3.97Å; Y453-E457 HydrophobicContact CE2-CG 3.58Å; Y453-E457 PolarHBondContact O-N 2.94Å; E457-S545 PolarHBondContact OE1-OG 3.34Å; E457-K548 IonicContact OE1-NZ 2.63Å; E457-K548 PolarHBondContact OE1-NZ 3.05Å; E457-K548 IonicContact OE2-NZ 3.08Å; E457-K548 PolarHBondContact OE2-NZ 2.73Å; E457-K861 WeakPolarHBondContact OE2-CE 3.43Å; E457-K861 IonicContact OE2-NZ 2.84Å; E457-K861 PolarHBondContact OE2-NZ 3.17Å
458	N	95.3	Very high	95.7	Very high	101 Å²	101	28.6 Å²	28.6	54%	0.54	14%	0.138	S	C	.	.	H	α-helix	trans	-99.4	-31.9	-172.6	-61.9	-68.4	0	0	0	114.8	E454	E454-N458 VanDerWaalsContact O-CB 3.27Å; E454-N458 WeakPolarHBondContact O-CB 3.45Å; E454-N458 PolarHBondContact O-N 2.92Å; E454-N458 PolarHBondContact O-ND2 3.38Å; E454-N458 PolarHBondContact OE2-ND2 3.35Å
459	H	95.2	Very high	95.4	Very high	78 Å²	78	28.6 Å²	28.6	36%	0.361	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-33.5	-169.7	-54.5	134.3	0	0	0	114.3	T427 H455 E461 N462	T427-H459 HydrophobicContact CG2-CB 3.99Å; H455-H459 AromaticContact CE1-CE1 3.81Å; H455-H459 AromaticContact CE1-ND1 3.3Å; H455-H459 PolarHBondContact CE1-ND1 3.1Å; H455-H459 VanDerWaalsContact CE1-ND1 3.3Å; H455-H459 AromaticContact CG-ND1 3.71Å; H455-H459 AromaticContact ND1-CE1 3.88Å; H455-H459 AromaticContact ND1-CG 3.91Å; H455-H459 AromaticContact ND1-ND1 2.96Å; H455-H459 PolarHBondContact ND1-ND1 3.5Å; H455-H459 WeakPolarHBondContact O-CA 3.44Å; H455-H459 PolarHBondContact O-N 3.42Å; H459-E461 PolarHBondContact O-N 2.99Å; H459-N462 PolarHBondContact O-N 3.12Å; H459-N462 PolarHBondContact O-ND2 2.91Å
460	F	97.4	Very high	95	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-2.3	-172.3	-68.1	1.2	0	0	0	114.8	T427 F431 H455 T456 N462 Y463 L518 L549	T427-F460 HydrophobicContact CG2-CD1 3.59Å; T427-F460 HydrophobicContact CG2-CE1 3.88Å; F431-F460 HydrophobicContact CB-CE1 4.39Å; F431-F460 HydrophobicContact CD1-CE1 4.23Å; F431-F460 AromaticContact CD1-CZ 3.79Å; F431-F460 HydrophobicContact CD1-CZ 3.79Å; F431-F460 HydrophobicContact CD2-CZ 4.41Å; F431-F460 AromaticContact CE1-CZ 3.94Å; F431-F460 HydrophobicContact CE1-CZ 3.94Å; F431-F460 HydrophobicContact CG-CE1 4.23Å; F431-F460 HydrophobicContact CG-CZ 4.05Å; F431-F460 HydrophobicContact CZ-CZ 4.33Å; H455-F460 HydrophobicContact CB-CD1 4.33Å; H455-F460 HydrophobicContact CB-CE1 3.77Å; H455-F460 HydrophobicContact CB-CZ 3.95Å; H455-F460 WeakPolarHBondContact O-CD1 2.95Å; H455-F460 WeakPolarHBondContact O-CG 3.41Å; H455-F460 PolarHBondContact O-N 3.25Å; T456-F460 HydrophobicContact CG2-CD2 4.16Å; T456-F460 WeakPolarHBondContact OG1-CD2 3.37Å; T456-F460 WeakPolarHBondContact OG1-CE2 3.47Å; F460-N462 PolarHBondContact O-N 3.35Å; F460-Y463 HydrophobicContact CB-CD2 3.88Å; F460-Y463 HydrophobicContact CB-CE2 4.43Å; F460-Y463 HydrophobicContact CD1-CD2 4.16Å; F460-Y463 AromaticContact CD1-CE2 3.84Å; F460-Y463 HydrophobicContact CD1-CE2 3.84Å; F460-Y463 HydrophobicContact CE1-CE2 4.25Å; F460-Y463 HydrophobicContact CG-CD2 4.01Å; F460-Y463 HydrophobicContact CG-CE2 4.07Å; F460-Y463 WeakPolarHBondContact O-CB 3.15Å; F460-Y463 PolarHBondContact O-N 2.95Å; F460-L518 HydrophobicContact CE2-CD1 3.77Å; F460-L518 HydrophobicContact CZ-CD1 4.25Å; F460-L549 HydrophobicContact CB-CD1 4.41Å; F460-L549 HydrophobicContact CB-CD2 3.54Å; F460-L549 HydrophobicContact CD2-CD2 3.81Å; F460-L549 HydrophobicContact CG-CD2 4.18Å
461	E	95.7	Very high	94.3	Very high	81 Å²	81	28.3 Å²	28.3	38%	0.379	14%	0.137	S	C	.	.	H	α-helix	trans	-50.9	-28.5	164.9	-174.7	67.3	176	0	0	112.5	H459 Y463 V464 K465 K552	H459-E461 PolarHBondContact O-N 2.99Å; E461-Y463 VanDerWaalsContact C-N 3.26Å; E461-Y463 PolarHBondContact O-N 2.71Å; E461-V464 WeakPolarHBondContact O-CB 3.41Å; E461-V464 PolarHBondContact O-N 2.87Å; E461-V464 VanDerWaalsContact O-N 3.1Å; E461-K465 PolarHBondContact O-N 3.49Å; E461-K552 IonicContact OE1-NZ 3.84Å; E461-K552 PolarHBondContact OE1-NZ 3.46Å; E461-K552 IonicContact OE2-NZ 3.27Å; E461-K552 PolarHBondContact OE2-NZ 3.05Å
462	N	96.1	Very high	93.8	Very high	28 Å²	28	28 Å²	28	15%	0.15	13%	0.134	C	C	.	.	H	α-helix	trans	-61	-31.1	173.7	-67.3	-30.1	0	0	0	113.1	N420 E423 I424 T427 H459 F460 V464 K465 Y466	N420-N462 PolarHBondContact ND2-O 2.97Å; E423-N462 HydrophobicContact CB-CB 4.35Å; I424-N462 HydrophobicContact CD1-CB 4.11Å; I424-N462 WeakPolarHBondContact CD1-O 3.41Å; T427-N462 PolarHBondContact OG1-ND2 2.92Å; T427-N462 VanDerWaalsContact OG1-ND2 3.08Å; H459-N462 PolarHBondContact O-N 3.12Å; H459-N462 PolarHBondContact O-ND2 2.91Å; F460-N462 PolarHBondContact O-N 3.35Å; N462-V464 VanDerWaalsContact C-N 3.35Å; N462-K465 PolarHBondContact O-N 2.93Å; N462-K465 PolarHBondContact OD1-NZ 3.09Å; N462-Y466 PolarHBondContact O-N 3.17Å; N462-Y466 VanDerWaalsContact O-N 3.14Å
463	Y	97.1	Very high	93.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.8	-35.3	173.2	-71.9	-90.2	0	0	0	112.1	Y383 I424 T427 F460 E461 Y466 V467 P511 V515	Y383-Y463 WeakPolarHBondContact CE1-OH 3.47Å; Y383-Y463 VanDerWaalsContact OH-CE1 3.29Å; Y383-Y463 WeakPolarHBondContact OH-CE1 3.45Å; Y383-Y463 PolarHBondContact OH-OH 3.49Å; Y383-Y463 VanDerWaalsContact OH-OH 3.08Å; I424-Y463 HydrophobicContact CD1-CD1 3.84Å; I424-Y463 HydrophobicContact CD1-CD2 4.14Å; I424-Y463 HydrophobicContact CD1-CE1 4.13Å; I424-Y463 HydrophobicContact CD1-CE2 4.4Å; I424-Y463 HydrophobicContact CD1-CG 3.84Å; I424-Y463 HydrophobicContact CG2-CE1 4Å; T427-Y463 HydrophobicContact CG2-CE2 4.02Å; F460-Y463 HydrophobicContact CB-CD2 3.88Å; F460-Y463 HydrophobicContact CB-CE2 4.43Å; F460-Y463 HydrophobicContact CD1-CD2 4.16Å; F460-Y463 AromaticContact CD1-CE2 3.84Å; F460-Y463 HydrophobicContact CD1-CE2 3.84Å; F460-Y463 HydrophobicContact CE1-CE2 4.25Å; F460-Y463 HydrophobicContact CG-CD2 4.01Å; F460-Y463 HydrophobicContact CG-CE2 4.07Å; F460-Y463 WeakPolarHBondContact O-CB 3.15Å; F460-Y463 PolarHBondContact O-N 2.95Å; E461-Y463 VanDerWaalsContact C-N 3.26Å; E461-Y463 PolarHBondContact O-N 2.71Å; Y463-Y466 WeakPolarHBondContact O-CB 3.23Å; Y463-Y466 PolarHBondContact O-N 2.96Å; Y463-V467 WeakPolarHBondContact O-CB 3.38Å; Y463-V467 VanDerWaalsContact O-CG2 3.32Å; Y463-V467 WeakPolarHBondContact O-CG2 3.37Å; Y463-V467 PolarHBondContact O-N 3.45Å; Y463-P511 HydrophobicContact CD1-CB 3.86Å; Y463-P511 WeakPolarHBondContact CD1-O 3.34Å; Y463-P511 HydrophobicContact CE1-CB 3.89Å; Y463-V515 HydrophobicContact CD1-CG2 3.38Å; Y463-V515 HydrophobicContact CD2-CG2 4.27Å; Y463-V515 HydrophobicContact CE1-CG2 3.95Å; Y463-V515 HydrophobicContact CG-CG2 3.57Å
464	V	95.4	Very high	93	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-46.9	174.8	-171.1	0	0	0	0	110.3	E461 N462 Y466 V467 Q468 L549 K552 E556	E461-V464 WeakPolarHBondContact O-CB 3.41Å; E461-V464 PolarHBondContact O-N 2.87Å; E461-V464 VanDerWaalsContact O-N 3.1Å; N462-V464 VanDerWaalsContact C-N 3.35Å; V464-Y466 PolarHBondContact O-N 3.37Å; V464-V467 PolarHBondContact O-N 2.75Å; V464-Q468 WeakPolarHBondContact O-CB 3.42Å; V464-Q468 WeakPolarHBondContact O-CG 3.4Å; V464-Q468 PolarHBondContact O-N 2.78Å; V464-L549 HydrophobicContact CG2-CD1 3.58Å; V464-K552 HydrophobicContact CG1-CD 4.39Å; V464-K552 HydrophobicContact CG1-CG 4.04Å; V464-K552 HydrophobicContact CG2-CD 4.07Å; V464-K552 HydrophobicContact CG2-CG 4.19Å; V464-E556 HydrophobicContact CG1-CB 3.91Å; V464-E556 HydrophobicContact CG1-CG 3.74Å
465	K	94.2	Very high	92.5	Very high	62 Å²	62	29.4 Å²	29.4	27%	0.27	14%	0.137	S	C	.	.	H	α-helix	trans	-59	-31	176.6	-59.4	175.2	-163	161.2	0	112.9	I239 N420 E461 N462 Q468 N469	I239-K465 HydrophobicContact CD1-CD 3.74Å; N420-K465 VanDerWaalsContact OD1-C 3.24Å; N420-K465 PolarHBondContact OD1-O 2.96Å; E461-K465 PolarHBondContact O-N 3.49Å; N462-K465 PolarHBondContact O-N 2.93Å; N462-K465 PolarHBondContact OD1-NZ 3.09Å; K465-Q468 WeakPolarHBondContact O-CG 3.2Å; K465-N469 PolarHBondContact O-ND2 3.28Å
466	Y	95.4	Very high	92.2	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.016	14%	0.139	C	C	.	.	H	α-helix	trans	-75.6	-53.8	176.1	-166.8	-86	0	0	0	111.1	F418 N420 I421 I424 N462 Y463 V464 Q468 N469 Q473 L508 P511	F418-Y466 VanDerWaalsContact O-CE2 3.3Å; F418-Y466 WeakPolarHBondContact O-CE2 3.47Å; N420-Y466 WeakPolarHBondContact OD1-CA 3.47Å; N420-Y466 WeakPolarHBondContact OD1-CB 3.38Å; N420-Y466 PolarHBondContact OD1-N 3.37Å; N420-Y466 VanDerWaalsContact OD1-N 3.08Å; I421-Y466 HydrophobicContact CB-CE2 4.06Å; I421-Y466 HydrophobicContact CD1-CD2 4.48Å; I421-Y466 HydrophobicContact CD1-CE2 3.69Å; I421-Y466 HydrophobicContact CG1-CE2 4.44Å; I424-Y466 HydrophobicContact CG1-CD2 3.94Å; I424-Y466 HydrophobicContact CG1-CG 4.26Å; N462-Y466 PolarHBondContact O-N 3.17Å; N462-Y466 VanDerWaalsContact O-N 3.14Å; Y463-Y466 WeakPolarHBondContact O-CB 3.23Å; Y463-Y466 PolarHBondContact O-N 2.96Å; V464-Y466 PolarHBondContact O-N 3.37Å; Y466-Q468 PolarHBondContact O-N 2.67Å; Y466-N469 PolarHBondContact O-N 3.3Å; Y466-N469 VanDerWaalsContact O-N 3.1Å; Y466-Q473 VanDerWaalsContact CZ-NE2 3.27Å; Y466-Q473 PolarHBondContact OH-NE2 2.93Å; Y466-L508 WeakPolarHBondContact CE1-O 3.42Å; Y466-L508 PolarHBondContact OH-O 3.47Å; Y466-L508 VanDerWaalsContact OH-O 3.14Å; Y466-P511 HydrophobicContact CD1-CB 3.85Å; Y466-P511 HydrophobicContact CD1-CG 3.94Å; Y466-P511 HydrophobicContact CD2-CG 4.5Å; Y466-P511 HydrophobicContact CE1-CB 4.04Å; Y466-P511 HydrophobicContact CE1-CG 3.65Å; Y466-P511 HydrophobicContact CE2-CG 4.24Å; Y466-P511 HydrophobicContact CG-CB 4.28Å; Y466-P511 HydrophobicContact CG-CG 4.36Å
467	V	92.4	Very high	92	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-65.8	-36.2	-174.1	173.3	0	0	0	0	112.6	Y463 V464 N469 Q470 M512 C553 K557	Y463-V467 WeakPolarHBondContact O-CB 3.38Å; Y463-V467 VanDerWaalsContact O-CG2 3.32Å; Y463-V467 WeakPolarHBondContact O-CG2 3.37Å; Y463-V467 PolarHBondContact O-N 3.45Å; V464-V467 PolarHBondContact O-N 2.75Å; V467-N469 PolarHBondContact O-N 2.98Å; V467-N469 VanDerWaalsContact O-N 3.16Å; V467-Q470 VanDerWaalsContact O-CB 3.31Å; V467-Q470 WeakPolarHBondContact O-CB 3.4Å; V467-Q470 PolarHBondContact O-N 2.88Å; V467-Q470 VanDerWaalsContact O-N 3.14Å; V467-M512 HydrophobicContact CB-SD 4.38Å; V467-M512 HydrophobicContact CG1-CE 3.65Å; V467-M512 HydrophobicContact CG1-SD 3.82Å; V467-M512 HydrophobicContact CG2-CB 4.12Å; V467-M512 HydrophobicContact CG2-CG 4.35Å; V467-M512 HydrophobicContact CG2-SD 3.56Å; V467-M512 VanDerWaalsContact CG2-SD 3.56Å; V467-C553 HydrophobicContact CB-CB 4.21Å; V467-C553 HydrophobicContact CG1-CB 3.98Å; V467-C553 HydrophobicContact CG2-CB 4.45Å; V467-K557 HydrophobicContact CG1-CB 4.22Å; V467-K557 HydrophobicContact CG1-CD 4.47Å
468	Q	90.3	Very high	91.8	Very high	22 Å²	22	30.3 Å²	30.3	10%	0.103	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.7	175.6	73.8	177	-2.7	0	0	112.9	T237 V464 K465 Y466 E556 M560	T237-Q468 PolarHBondContact OG1-NE2 3.24Å; V464-Q468 WeakPolarHBondContact O-CB 3.42Å; V464-Q468 WeakPolarHBondContact O-CG 3.4Å; V464-Q468 PolarHBondContact O-N 2.78Å; K465-Q468 WeakPolarHBondContact O-CG 3.2Å; Y466-Q468 PolarHBondContact O-N 2.67Å; Q468-E556 HydrophobicContact CB-CB 4.02Å; Q468-M560 HydrophobicContact CB-CG 3.99Å; Q468-M560 WeakPolarHBondContact O-CB 3.46Å
469	N	89.5	Confident	91.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.4	-178.3	-75	-16	0	0	0	113.5	F236 S419 K465 Y466 V467 M471 Y472 Q473	F236-N469 HydrophobicContact CE2-CB 4.15Å; F236-N469 HydrophobicContact CZ-CB 4.21Å; F236-N469 WeakPolarHBondContact CZ-ND2 3.46Å; S419-N469 PolarHBondContact OG-ND2 3.31Å; K465-N469 PolarHBondContact O-ND2 3.28Å; Y466-N469 PolarHBondContact O-N 3.3Å; Y466-N469 VanDerWaalsContact O-N 3.1Å; V467-N469 PolarHBondContact O-N 2.98Å; V467-N469 VanDerWaalsContact O-N 3.16Å; N469-M471 PolarHBondContact O-N 2.88Å; N469-M471 VanDerWaalsContact O-N 3.08Å; N469-Y472 WeakPolarHBondContact O-CB 3.48Å; N469-Y472 PolarHBondContact O-N 3.46Å; N469-Q473 PolarHBondContact O-N 3.38Å; N469-Q473 VanDerWaalsContact O-N 3.14Å
470	Q	87.1	Confident	91.6	Very high	18 Å²	18	28.5 Å²	28.5	8%	0.084	13%	0.133	C	C	.	.	H	α-helix	trans	-54.5	-35.2	-172.9	-166.2	-175	17.4	0	0	113.6	V467 Y472 Q473 L474 L509	V467-Q470 VanDerWaalsContact O-CB 3.31Å; V467-Q470 WeakPolarHBondContact O-CB 3.4Å; V467-Q470 PolarHBondContact O-N 2.88Å; V467-Q470 VanDerWaalsContact O-N 3.14Å; Q470-Y472 PolarHBondContact O-N 2.82Å; Q470-Q473 WeakPolarHBondContact O-CB 3.5Å; Q470-Q473 PolarHBondContact O-N 3.38Å; Q470-L474 HydrophobicContact CG-CD1 4.03Å; Q470-L474 HydrophobicContact CG-CG 4.44Å; Q470-L474 WeakPolarHBondContact O-CB 3.23Å; Q470-L474 WeakPolarHBondContact O-CG 3.41Å; Q470-L474 PolarHBondContact O-N 3.18Å; Q470-L509 VanDerWaalsContact NE2-CD2 3.34Å
471	M	82.4	Confident	91.3	Very high	18 Å²	18	32.8 Å²	32.8	9%	0.089	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-41.6	176.1	-174.2	56.3	69.2	0	0	112.1	L213 N469 L474 R475 E561	L213-M471 HydrophobicContact CD2-SD 4.28Å; N469-M471 PolarHBondContact O-N 2.88Å; N469-M471 VanDerWaalsContact O-N 3.08Å; M471-L474 PolarHBondContact O-N 2.87Å; M471-R475 WeakPolarHBondContact O-CB 3.2Å; M471-R475 WeakPolarHBondContact O-CG 3.46Å; M471-R475 PolarHBondContact O-N 2.96Å; M471-R475 HydrophobicContact SD-CG 4.25Å; M471-E561 HydrophobicContact CE-CG 3.78Å
472	Y	85.2	Confident	91.2	Very high	25 Å²	25	33.9 Å²	33.9	10%	0.098	17%	0.172	C	C	.	.	H	α-helix	trans	-69.2	-36.3	175.8	-61.2	-72.1	0	0	0	112.2	F236 N469 Q470 T476 M560	F236-Y472 AromaticContact CD2-CD2 3.81Å; F236-Y472 HydrophobicContact CD2-CD2 3.81Å; F236-Y472 HydrophobicContact CD2-CE2 4.15Å; F236-Y472 HydrophobicContact CD2-CG 4.11Å; F236-Y472 AromaticContact CE2-CD2 3.74Å; F236-Y472 HydrophobicContact CE2-CD2 3.74Å; F236-Y472 AromaticContact CE2-CG 3.91Å; F236-Y472 HydrophobicContact CE2-CG 3.91Å; N469-Y472 WeakPolarHBondContact O-CB 3.48Å; N469-Y472 PolarHBondContact O-N 3.46Å; Q470-Y472 PolarHBondContact O-N 2.82Å; Y472-T476 WeakPolarHBondContact O-CB 2.86Å; Y472-T476 PolarHBondContact O-N 3.39Å; Y472-T476 PolarHBondContact O-OG1 3.3Å; Y472-M560 HydrophobicContact CE2-CE 3.73Å
473	Q	90.8	Very high	91	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.033	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-51.5	173.7	-59.2	-176.3	-85	0	0	110.8	H416 L417 Y466 N469 Q470 T476 L477	H416-Q473 VanDerWaalsContact O-CA 3.25Å; H416-Q473 WeakPolarHBondContact O-CA 3.36Å; H416-Q473 VanDerWaalsContact O-CG 3.24Å; H416-Q473 WeakPolarHBondContact O-CG 3.4Å; H416-Q473 PolarHBondContact O-N 2.9Å; L417-Q473 WeakPolarHBondContact O-CG 3.38Å; L417-Q473 PolarHBondContact O-NE2 2.88Å; Y466-Q473 VanDerWaalsContact CZ-NE2 3.27Å; Y466-Q473 PolarHBondContact OH-NE2 2.93Å; N469-Q473 PolarHBondContact O-N 3.38Å; N469-Q473 VanDerWaalsContact O-N 3.14Å; Q470-Q473 WeakPolarHBondContact O-CB 3.5Å; Q470-Q473 PolarHBondContact O-N 3.38Å; Q473-T476 PolarHBondContact O-N 3.48Å; Q473-L477 VanDerWaalsContact O-CB 3.28Å; Q473-L477 WeakPolarHBondContact O-CB 3.33Å; Q473-L477 PolarHBondContact O-N 3.48Å
474	L	87.7	Confident	90.9	Very high	16 Å²	16	39.7 Å²	39.7	8%	0.084	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-43.3	-179.7	-71.4	165.5	0	0	0	112.5	D209 Q470 M471 T478	D209-L474 HydrophobicContact CB-CD1 4.16Å; D209-L474 WeakPolarHBondContact OD2-CD1 3.38Å; Q470-L474 HydrophobicContact CG-CD1 4.03Å; Q470-L474 HydrophobicContact CG-CG 4.44Å; Q470-L474 WeakPolarHBondContact O-CB 3.23Å; Q470-L474 WeakPolarHBondContact O-CG 3.41Å; Q470-L474 PolarHBondContact O-N 3.18Å; M471-L474 PolarHBondContact O-N 2.87Å; L474-T478 VanDerWaalsContact O-CB 3.3Å; L474-T478 WeakPolarHBondContact O-CB 3.49Å; L474-T478 PolarHBondContact O-N 3.48Å; L474-T478 PolarHBondContact O-OG1 3.03Å
475	R	85.7	Confident	90.8	Very high	88 Å²	88	42.2 Å²	42.2	33%	0.332	23%	0.233	S	C	.	.	H	α-helix	trans	-62.2	-44.4	175.1	-73.7	172	69.9	110.9	3.4	111.8	L213 M471 T478 K479 E564	L213-R475 HydrophobicContact CD1-CG 3.79Å; L213-R475 HydrophobicContact CD2-CG 3.56Å; L213-R475 HydrophobicContact CG-CG 4.35Å; M471-R475 WeakPolarHBondContact O-CB 3.2Å; M471-R475 WeakPolarHBondContact O-CG 3.46Å; M471-R475 PolarHBondContact O-N 2.96Å; M471-R475 HydrophobicContact SD-CG 4.25Å; R475-T478 PolarHBondContact O-N 3.27Å; R475-K479 WeakPolarHBondContact O-CB 3.46Å; R475-K479 PolarHBondContact O-N 3.35Å; R475-E564 IonicContact CZ-OE1 3.38Å; R475-E564 IonicContact CZ-OE2 2.69Å; R475-E564 IonicContact NE-OE1 3.47Å; R475-E564 PolarHBondContact NE-OE1 3.01Å; R475-E564 IonicContact NE-OE2 3.86Å; R475-E564 IonicContact NH1-OE1 4Å; R475-E564 PolarHBondContact NH1-OE1 3.36Å; R475-E564 IonicContact NH1-OE2 2.67Å; R475-E564 PolarHBondContact NH1-OE2 3.01Å; R475-E564 IonicContact NH2-OE1 3.96Å; R475-E564 PolarHBondContact NH2-OE1 2.93Å
476	T	91	Very high	90.8	Very high	11 Å²	11	39.2 Å²	39.2	7%	0.067	22%	0.22	C	C	.	.	H	α-helix	trans	-68.8	-45.4	-179.7	-58.6	0	0	0	0	111.1	E413 H416 L417 Y472 Q473 T478 K479 L480	E413-T476 HydrophobicContact CB-CG2 3.97Å; E413-T476 HydrophobicContact CG-CG2 4.07Å; H416-T476 HydrophobicContact CB-CG2 4.15Å; H416-T476 VanDerWaalsContact CB-OG1 3.26Å; H416-T476 WeakPolarHBondContact CB-OG1 3.39Å; L417-T476 HydrophobicContact CB-CG2 4.25Å; Y472-T476 WeakPolarHBondContact O-CB 2.86Å; Y472-T476 PolarHBondContact O-N 3.39Å; Y472-T476 PolarHBondContact O-OG1 3.3Å; Q473-T476 PolarHBondContact O-N 3.48Å; T476-T478 VanDerWaalsContact C-N 3.35Å; T476-T478 PolarHBondContact O-N 3.1Å; T476-K479 WeakPolarHBondContact O-CB 3.3Å; T476-K479 PolarHBondContact O-N 2.96Å; T476-L480 HydrophobicContact CG2-CD1 3.81Å; T476-L480 HydrophobicContact CG2-CG 4.28Å; T476-L480 WeakPolarHBondContact O-CB 3.36Å; T476-L480 VanDerWaalsContact O-CG 3.25Å; T476-L480 WeakPolarHBondContact O-CG 3.35Å; T476-L480 PolarHBondContact O-N 2.79Å
477	L	93.2	Very high	90.7	Very high	9 Å²	9	41.2 Å²	41.2	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-44.7	174.2	-178.5	60.2	0	0	0	111.4	L417 Q473 K479 L480 L481 F486 L504 N505 L508	L417-L477 HydrophobicContact CD1-CB 3.83Å; L417-L477 HydrophobicContact CD1-CD1 4.18Å; Q473-L477 VanDerWaalsContact O-CB 3.28Å; Q473-L477 WeakPolarHBondContact O-CB 3.33Å; Q473-L477 PolarHBondContact O-N 3.48Å; L477-K479 PolarHBondContact O-N 2.9Å; L477-L480 PolarHBondContact O-N 2.85Å; L477-L481 HydrophobicContact CD1-CD1 4.02Å; L477-L481 HydrophobicContact CD1-CD2 4.49Å; L477-L481 HydrophobicContact CD1-CG 3.99Å; L477-L481 HydrophobicContact CG-CD1 3.88Å; L477-L481 HydrophobicContact CG-CG 4.29Å; L477-L481 WeakPolarHBondContact O-CB 3.38Å; L477-L481 VanDerWaalsContact O-CG 3.25Å; L477-L481 WeakPolarHBondContact O-CG 3.25Å; L477-L481 PolarHBondContact O-N 2.84Å; L477-F486 HydrophobicContact CD1-CE1 4.05Å; L477-F486 HydrophobicContact CD1-CZ 4.2Å; L477-L504 HydrophobicContact CD1-CD2 4.16Å; L477-N505 HydrophobicContact CD2-CB 3.88Å; L477-L508 HydrophobicContact CD2-CD1 4.43Å
478	T	91.5	Very high	90.8	Very high	64 Å²	64	45.9 Å²	45.9	39%	0.393	25%	0.254	S	S	.	.	H	α-helix	trans	-61.2	-42.3	177.5	-58.5	0	0	0	0	112	L474 R475 T476 S482	L474-T478 VanDerWaalsContact O-CB 3.3Å; L474-T478 WeakPolarHBondContact O-CB 3.49Å; L474-T478 PolarHBondContact O-N 3.48Å; L474-T478 PolarHBondContact O-OG1 3.03Å; R475-T478 PolarHBondContact O-N 3.27Å; T476-T478 VanDerWaalsContact C-N 3.35Å; T476-T478 PolarHBondContact O-N 3.1Å; T478-S482 PolarHBondContact O-OG 3.02Å
479	K	92.4	Very high	90.9	Very high	134 Å²	134	45.7 Å²	45.7	58%	0.583	26%	0.257	S	S	*	.	H	α-helix	trans	-62	-48.4	173.8	-175.1	-159.2	177.1	-163.1	0	111.3	E413 R475 T476 L477 S482	E413-K479 WeakPolarHBondContact OE1-CE 3.5Å; E413-K479 IonicContact OE1-NZ 3.43Å; E413-K479 PolarHBondContact OE1-NZ 2.89Å; R475-K479 WeakPolarHBondContact O-CB 3.46Å; R475-K479 PolarHBondContact O-N 3.35Å; T476-K479 WeakPolarHBondContact O-CB 3.3Å; T476-K479 PolarHBondContact O-N 2.96Å; L477-K479 PolarHBondContact O-N 2.9Å; K479-S482 WeakPolarHBondContact O-CB 3.44Å; K479-S482 PolarHBondContact O-N 3.26Å; K479-S482 VanDerWaalsContact O-N 3.13Å
480	L	92.9	Very high	91.1	Very high	7 Å²	7	46 Å²	46	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-68.1	-35.9	-176.9	-71	174.7	0	0	0	112.4	I409 E413 L417 T476 L477 S482 S483 F486	I409-L480 HydrophobicContact CG2-CD1 3.79Å; I409-L480 HydrophobicContact CG2-CD2 3.84Å; I409-L480 HydrophobicContact CG2-CG 4.46Å; E413-L480 HydrophobicContact CB-CD1 4.4Å; L417-L480 HydrophobicContact CD2-CD1 4.09Å; T476-L480 HydrophobicContact CG2-CD1 3.81Å; T476-L480 HydrophobicContact CG2-CG 4.28Å; T476-L480 WeakPolarHBondContact O-CB 3.36Å; T476-L480 VanDerWaalsContact O-CG 3.25Å; T476-L480 WeakPolarHBondContact O-CG 3.35Å; T476-L480 PolarHBondContact O-N 2.79Å; L477-L480 PolarHBondContact O-N 2.85Å; L480-S482 PolarHBondContact O-N 2.81Å; L480-S482 VanDerWaalsContact O-N 3.15Å; L480-S483 VanDerWaalsContact O-CB 3.3Å; L480-S483 WeakPolarHBondContact O-CB 3.28Å; L480-S483 PolarHBondContact O-N 3.11Å; L480-F486 VanDerWaalsContact C-CD1 3.48Å; L480-F486 HydrophobicContact CB-CD1 3.64Å; L480-F486 HydrophobicContact CB-CD2 3.94Å; L480-F486 HydrophobicContact CB-CE1 3.66Å; L480-F486 HydrophobicContact CB-CE2 3.98Å; L480-F486 HydrophobicContact CB-CG 3.77Å; L480-F486 HydrophobicContact CB-CZ 3.83Å; L480-F486 HydrophobicContact CD1-CD2 4.16Å; L480-F486 HydrophobicContact CD1-CE2 3.7Å; L480-F486 HydrophobicContact CD1-CZ 3.95Å; L480-F486 HydrophobicContact CD2-CD2 4.33Å; L480-F486 HydrophobicContact CG-CD2 4.38Å; L480-F486 HydrophobicContact CG-CE2 4.34Å; L480-F486 WeakPolarHBondContact O-CB 3.43Å; L480-F486 WeakPolarHBondContact O-CD1 3.23Å
481	L	92.1	Very high	91.3	Very high	90 Å²	90	50.3 Å²	50.3	47%	0.471	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.5	172.6	-71.6	172.2	0	0	0	113.7	L477 S483 F486 V487	L477-L481 HydrophobicContact CD1-CD1 4.02Å; L477-L481 HydrophobicContact CD1-CD2 4.49Å; L477-L481 HydrophobicContact CD1-CG 3.99Å; L477-L481 HydrophobicContact CG-CD1 3.88Å; L477-L481 HydrophobicContact CG-CG 4.29Å; L477-L481 WeakPolarHBondContact O-CB 3.38Å; L477-L481 VanDerWaalsContact O-CG 3.25Å; L477-L481 WeakPolarHBondContact O-CG 3.25Å; L477-L481 PolarHBondContact O-N 2.84Å; L481-S483 VanDerWaalsContact C-N 3.34Å; L481-F486 HydrophobicContact CD2-CD1 4.35Å; L481-F486 HydrophobicContact CD2-CE1 4.12Å; L481-F486 HydrophobicContact CG-CE1 4.38Å; L481-V487 HydrophobicContact CD2-CG2 4.17Å; L481-V487 VanDerWaalsContact O-CG2 3.31Å; L481-V487 WeakPolarHBondContact O-CG2 3.3Å
482	S	92.6	Very high	91.8	Very high	103 Å²	103	52.9 Å²	52.9	72%	0.72	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-7.2	167.8	-59	0	0	0	0	113.7	T478 K479 L480	T478-S482 PolarHBondContact O-OG 3.02Å; K479-S482 WeakPolarHBondContact O-CB 3.44Å; K479-S482 PolarHBondContact O-N 3.26Å; K479-S482 VanDerWaalsContact O-N 3.13Å; L480-S482 PolarHBondContact O-N 2.81Å; L480-S482 VanDerWaalsContact O-N 3.15Å
483	S	92.7	Very high	92.1	Very high	45 Å²	45	52.1 Å²	52.1	32%	0.315	29%	0.291	S	S	.	.			trans	-95.2	116.5	174.8	179.9	0	0	0	0	110.9	L480 L481 A485 F486 V487	L480-S483 VanDerWaalsContact O-CB 3.3Å; L480-S483 WeakPolarHBondContact O-CB 3.28Å; L480-S483 PolarHBondContact O-N 3.11Å; L481-S483 VanDerWaalsContact C-N 3.34Å; S483-A485 PolarHBondContact O-N 3.19Å; S483-F486 PolarHBondContact O-N 2.79Å; S483-F486 VanDerWaalsContact O-N 3.13Å; S483-V487 WeakPolarHBondContact O-CG2 3.37Å; S483-V487 PolarHBondContact O-N 3.21Å; S483-V487 VanDerWaalsContact O-N 3.08Å
484	P	93.7	Very high	92.2	Very high	106 Å²	106	54 Å²	54	69%	0.688	30%	0.3	S	S	*	.	H	α-helix	trans	-57.4	-34.5	178.9	-26.8	35.6	0	0	0	113.7	V487 E488	P484-V487 PolarHBondContact O-N 3.02Å; P484-E488 PolarHBondContact O-N 3.01Å
485	A	93.7	Very high	92.2	Very high	55 Å²	55	59.3 Å²	59.3	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-66	-39.2	178.7	0	0	0	0	0	112.4	V408 S483 A489	V408-A485 HydrophobicContact CG1-CB 4Å; S483-A485 PolarHBondContact O-N 3.19Å; A485-A489 WeakPolarHBondContact O-CB 3.5Å; A485-A489 PolarHBondContact O-N 2.85Å; A485-A489 VanDerWaalsContact O-N 3.08Å
486	F	94.8	Very high	92.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-68.6	-44.1	174.6	179	-94	0	0	0	111.4	M400 V408 I409 L417 L477 L480 L481 S483 E488 A489 V490 L504	M400-F486 HydrophobicContact CE-CD2 4.35Å; M400-F486 HydrophobicContact CE-CE2 3.71Å; M400-F486 HydrophobicContact CE-CZ 4.3Å; M400-F486 HydrophobicContact SD-CE2 3.99Å; V408-F486 HydrophobicContact CG2-CB 4.37Å; V408-F486 HydrophobicContact CG2-CD2 4Å; I409-F486 HydrophobicContact CG2-CD2 3.69Å; I409-F486 HydrophobicContact CG2-CE2 3.8Å; L417-F486 HydrophobicContact CD2-CE2 4.36Å; L417-F486 HydrophobicContact CD2-CZ 4.27Å; L477-F486 HydrophobicContact CD1-CE1 4.05Å; L477-F486 HydrophobicContact CD1-CZ 4.2Å; L480-F486 VanDerWaalsContact C-CD1 3.48Å; L480-F486 HydrophobicContact CB-CD1 3.64Å; L480-F486 HydrophobicContact CB-CD2 3.94Å; L480-F486 HydrophobicContact CB-CE1 3.66Å; L480-F486 HydrophobicContact CB-CE2 3.98Å; L480-F486 HydrophobicContact CB-CG 3.77Å; L480-F486 HydrophobicContact CB-CZ 3.83Å; L480-F486 HydrophobicContact CD1-CD2 4.16Å; L480-F486 HydrophobicContact CD1-CE2 3.7Å; L480-F486 HydrophobicContact CD1-CZ 3.95Å; L480-F486 HydrophobicContact CD2-CD2 4.33Å; L480-F486 HydrophobicContact CG-CD2 4.38Å; L480-F486 HydrophobicContact CG-CE2 4.34Å; L480-F486 WeakPolarHBondContact O-CB 3.43Å; L480-F486 WeakPolarHBondContact O-CD1 3.23Å; L481-F486 HydrophobicContact CD2-CD1 4.35Å; L481-F486 HydrophobicContact CD2-CE1 4.12Å; L481-F486 HydrophobicContact CG-CE1 4.38Å; S483-F486 PolarHBondContact O-N 2.79Å; S483-F486 VanDerWaalsContact O-N 3.13Å; F486-E488 VanDerWaalsContact C-N 3.31Å; F486-E488 PolarHBondContact O-N 3.13Å; F486-A489 PolarHBondContact O-N 3.1Å; F486-V490 HydrophobicContact CD1-CG2 4.04Å; F486-V490 HydrophobicContact CD2-CG2 4.33Å; F486-V490 HydrophobicContact CE1-CG2 3.67Å; F486-V490 HydrophobicContact CE2-CG2 3.97Å; F486-V490 HydrophobicContact CG-CG2 4.37Å; F486-V490 HydrophobicContact CZ-CG2 3.64Å; F486-V490 WeakPolarHBondContact O-CB 3.24Å; F486-V490 WeakPolarHBondContact O-CG2 3.49Å; F486-V490 PolarHBondContact O-N 3.07Å; F486-L504 HydrophobicContact CZ-CD2 3.89Å
487	V	93.9	Very high	92.1	Very high	45 Å²	45	63.4 Å²	63.4	27%	0.273	36%	0.357	S	S	.	.	H	α-helix	trans	-59.9	-40.5	177.7	173.9	0	0	0	0	111.6	L481 S483 P484 R491	L481-V487 HydrophobicContact CD2-CG2 4.17Å; L481-V487 VanDerWaalsContact O-CG2 3.31Å; L481-V487 WeakPolarHBondContact O-CG2 3.3Å; S483-V487 WeakPolarHBondContact O-CG2 3.37Å; S483-V487 PolarHBondContact O-N 3.21Å; S483-V487 VanDerWaalsContact O-N 3.08Å; P484-V487 PolarHBondContact O-N 3.02Å; V487-R491 VanDerWaalsContact O-CB 3.3Å; V487-R491 WeakPolarHBondContact O-CB 3.43Å; V487-R491 PolarHBondContact O-N 3.18Å
488	E	93.8	Very high	91.6	Very high	101 Å²	101	65.3 Å²	65.3	47%	0.472	37%	0.371	S	S	.	.	H	α-helix	trans	-69.7	-44.3	177.1	-158.4	62.6	-114.4	0	0	112.3	P484 F486 V490 R491 S492	P484-E488 PolarHBondContact O-N 3.01Å; F486-E488 VanDerWaalsContact C-N 3.31Å; F486-E488 PolarHBondContact O-N 3.13Å; E488-V490 PolarHBondContact O-N 2.93Å; E488-R491 PolarHBondContact O-N 2.88Å; E488-R491 IonicContact OE1-CZ 2.7Å; E488-R491 IonicContact OE1-NH1 3.7Å; E488-R491 PolarHBondContact OE1-NH1 3.5Å; E488-R491 IonicContact OE2-CZ 3.84Å; E488-R491 IonicContact OE2-NH1 2.65Å; E488-R491 PolarHBondContact OE2-NH1 3.29Å; E488-R491 IonicContact OE2-NH2 2.94Å; E488-S492 WeakPolarHBondContact O-CB 3.46Å; E488-S492 PolarHBondContact O-N 2.74Å
489	A	93.1	Very high	91.1	Very high	18 Å²	18	62.4 Å²	62.4	15%	0.149	35%	0.353	C	S	.	.	H	α-helix	trans	-60.2	-45.2	176.7	0	0	0	0	0	112.1	C399 V408 A485 F486 S492 I493	C399-A489 HydrophobicContact CB-CB 4.02Å; V408-A489 HydrophobicContact CG1-CB 4.49Å; V408-A489 HydrophobicContact CG2-CB 3.99Å; A485-A489 WeakPolarHBondContact O-CB 3.5Å; A485-A489 PolarHBondContact O-N 2.85Å; A485-A489 VanDerWaalsContact O-N 3.08Å; F486-A489 PolarHBondContact O-N 3.1Å; A489-S492 PolarHBondContact O-N 2.95Å; A489-I493 WeakPolarHBondContact O-CG1 3.41Å; A489-I493 PolarHBondContact O-N 3.13Å
490	V	92.6	Very high	90.3	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-65.4	-40.8	176.4	168.9	0	0	0	0	111.6	M400 F486 E488 S492 I493 Q494 L504	M400-V490 HydrophobicContact CE-CG2 3.58Å; F486-V490 HydrophobicContact CD1-CG2 4.04Å; F486-V490 HydrophobicContact CD2-CG2 4.33Å; F486-V490 HydrophobicContact CE1-CG2 3.67Å; F486-V490 HydrophobicContact CE2-CG2 3.97Å; F486-V490 HydrophobicContact CG-CG2 4.37Å; F486-V490 HydrophobicContact CZ-CG2 3.64Å; F486-V490 WeakPolarHBondContact O-CB 3.24Å; F486-V490 WeakPolarHBondContact O-CG2 3.49Å; F486-V490 PolarHBondContact O-N 3.07Å; E488-V490 PolarHBondContact O-N 2.93Å; V490-S492 PolarHBondContact O-N 3.24Å; V490-I493 PolarHBondContact O-N 2.84Å; V490-Q494 HydrophobicContact CG1-CG 4.31Å; V490-Q494 WeakPolarHBondContact O-CB 3.4Å; V490-Q494 WeakPolarHBondContact O-CG 3.09Å; V490-Q494 PolarHBondContact O-N 3.25Å; V490-L504 HydrophobicContact CG1-CB 4.18Å; V490-L504 HydrophobicContact CG1-CD2 4.49Å; V490-L504 HydrophobicContact CG2-CD2 4.02Å
491	R	92.1	Very high	89.3	Confident	107 Å²	107	65 Å²	65	40%	0.404	37%	0.374	S	S	.	.	H	α-helix	trans	-61	-44.4	175.6	-170.8	-170.5	-57.1	138.6	5.7	111.9	V487 E488 I493 Q494 Q495	V487-R491 VanDerWaalsContact O-CB 3.3Å; V487-R491 WeakPolarHBondContact O-CB 3.43Å; V487-R491 PolarHBondContact O-N 3.18Å; E488-R491 PolarHBondContact O-N 2.88Å; E488-R491 IonicContact OE1-CZ 2.7Å; E488-R491 IonicContact OE1-NH1 3.7Å; E488-R491 PolarHBondContact OE1-NH1 3.5Å; E488-R491 IonicContact OE2-CZ 3.84Å; E488-R491 IonicContact OE2-NH1 2.65Å; E488-R491 PolarHBondContact OE2-NH1 3.29Å; E488-R491 IonicContact OE2-NH2 2.94Å; R491-I493 VanDerWaalsContact C-N 3.28Å; R491-I493 PolarHBondContact O-N 2.87Å; R491-Q494 PolarHBondContact O-N 3.15Å; R491-Q495 WeakPolarHBondContact O-CG 3.16Å; R491-Q495 PolarHBondContact O-N 3.43Å
492	S	91.9	Very high	88.9	Confident	72 Å²	72	62.6 Å²	62.6	50%	0.503	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-35.4	177.6	-176.8	0	0	0	0	112.7	E488 A489 V490	E488-S492 WeakPolarHBondContact O-CB 3.46Å; E488-S492 PolarHBondContact O-N 2.74Å; A489-S492 PolarHBondContact O-N 2.95Å; V490-S492 PolarHBondContact O-N 3.24Å
493	I	92	Very high	88.6	Confident	10 Å²	10	60.6 Å²	60.6	5%	0.051	34%	0.343	C	S	.	.	H	α-helix	trans	-70.9	-50.5	172.1	-62.6	162.3	0	0	0	110.9	K393 F394 A397 M400 A489 V490 R491 Q495 Q496	K393-I493 HydrophobicContact CB-CG2 3.99Å; K393-I493 WeakPolarHBondContact O-CG2 3.24Å; F394-I493 HydrophobicContact CD1-CB 4.25Å; F394-I493 HydrophobicContact CD1-CD1 4.01Å; F394-I493 HydrophobicContact CD1-CG2 3.68Å; F394-I493 HydrophobicContact CD2-CG2 4.1Å; F394-I493 HydrophobicContact CE1-CB 3.94Å; F394-I493 HydrophobicContact CE1-CD1 4.49Å; F394-I493 HydrophobicContact CE1-CG2 3.44Å; F394-I493 VanDerWaalsContact CE1-CG2 3.44Å; F394-I493 HydrophobicContact CE2-CG2 3.89Å; F394-I493 HydrophobicContact CG-CG2 4.02Å; F394-I493 HydrophobicContact CZ-CB 4.41Å; F394-I493 HydrophobicContact CZ-CG2 3.56Å; A397-I493 HydrophobicContact CB-CD1 3.94Å; M400-I493 HydrophobicContact CE-CD1 4.38Å; A489-I493 WeakPolarHBondContact O-CG1 3.41Å; A489-I493 PolarHBondContact O-N 3.13Å; V490-I493 PolarHBondContact O-N 2.84Å; R491-I493 VanDerWaalsContact C-N 3.28Å; R491-I493 PolarHBondContact O-N 2.87Å; I493-Q495 PolarHBondContact O-N 2.95Å; I493-Q496 WeakPolarHBondContact O-CB 3.39Å; I493-Q496 WeakPolarHBondContact O-CG 3.47Å; I493-Q496 PolarHBondContact O-N 3.14Å
494	Q	92.2	Very high	88.6	Confident	46 Å²	46	58.6 Å²	58.6	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-63.2	-22.7	-176.1	-76.1	179.4	-153.1	0	0	114.2	F394 V490 R491 Q496	F394-Q494 HydrophobicContact CE1-CG 4.08Å; F394-Q494 HydrophobicContact CZ-CG 3.9Å; V490-Q494 HydrophobicContact CG1-CG 4.31Å; V490-Q494 WeakPolarHBondContact O-CB 3.4Å; V490-Q494 WeakPolarHBondContact O-CG 3.09Å; V490-Q494 PolarHBondContact O-N 3.25Å; R491-Q494 PolarHBondContact O-N 3.15Å; Q494-Q496 PolarHBondContact O-N 3.36Å
495	Q	89	Confident	88.4	Confident	127 Å²	127	54.6 Å²	54.6	59%	0.593	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-10.5	173.6	-77	172.9	-10.3	0	0	114	R491 I493	R491-Q495 WeakPolarHBondContact O-CG 3.16Å; R491-Q495 PolarHBondContact O-N 3.43Å; I493-Q495 PolarHBondContact O-N 2.95Å
496	Q	88	Confident	88.3	Confident	68 Å²	68	53.2 Å²	53.2	32%	0.318	29%	0.289	S	S	.	.	S	Bend	trans	-73.6	131.4	177.8	-63	-179.7	34.2	0	0	110.6	I493 Q494 S498 C499	I493-Q496 WeakPolarHBondContact O-CB 3.39Å; I493-Q496 WeakPolarHBondContact O-CG 3.47Å; I493-Q496 PolarHBondContact O-N 3.14Å; Q494-Q496 PolarHBondContact O-N 3.36Å; Q496-S498 PolarHBondContact O-N 2.92Å; Q496-C499 WeakPolarHBondContact O-CB 3.46Å; Q496-C499 PolarHBondContact O-N 2.9Å
497	P	85	Confident	88.1	Confident	117 Å²	117	53.3 Å²	53.3	76%	0.76	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-54.6	-29.9	-179	-29.1	35.6	0	0	0	114.4	C499 G500	P497-C499 PolarHBondContact O-N 3.28Å; P497-C499 VanDerWaalsContact O-N 3.13Å; P497-G500 PolarHBondContact O-N 3.22Å; P497-G500 VanDerWaalsContact O-N 3.16Å
498	S	83.7	Confident	88.1	Confident	50 Å²	50	51.6 Å²	51.6	35%	0.35	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-60.4	-17.6	174.7	52.5	0	0	0	0	114.9	I389 K393 Q496	I389-S498 VanDerWaalsContact CD1-O 3.23Å; I389-S498 WeakPolarHBondContact CD1-O 3.32Å; K393-S498 VanDerWaalsContact CE-OG 3.27Å; K393-S498 WeakPolarHBondContact CE-OG 3.35Å; Q496-S498 PolarHBondContact O-N 2.92Å
499	C	79.9	Confident	88	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.02	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-91.4	-4.8	179.6	-65	0	0	0	0	113.4	Q496 P497 F501 L502 F507	Q496-C499 WeakPolarHBondContact O-CB 3.46Å; Q496-C499 PolarHBondContact O-N 2.9Å; P497-C499 PolarHBondContact O-N 3.28Å; P497-C499 VanDerWaalsContact O-N 3.13Å; C499-F501 PolarHBondContact O-N 2.61Å; C499-F501 VanDerWaalsContact O-N 3.13Å; C499-L502 WeakPolarHBondContact O-CB 3.49Å; C499-L502 PolarHBondContact O-N 3.29Å; C499-F507 HydrophobicContact CB-CE2 4.44Å; C499-F507 HydrophobicContact CB-CZ 4.37Å
500	G	75.9	Confident	88	Confident	35 Å²	35	47.4 Å²	47.4	36%	0.361	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	25.6	178.1	0	0	0	0	0	114.3	P497 L502	P497-G500 PolarHBondContact O-N 3.22Å; P497-G500 VanDerWaalsContact O-N 3.16Å; G500-L502 PolarHBondContact O-N 2.86Å; G500-L502 VanDerWaalsContact O-N 3.07Å
501	F	73.3	Confident	88	Confident	159 Å²	159	47 Å²	47	70%	0.697	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	10	-171.6	-51.9	-75.5	0	0	0	116	C499	C499-F501 PolarHBondContact O-N 2.61Å; C499-F501 VanDerWaalsContact O-N 3.13Å
502	L	82.2	Confident	87.9	Confident	40 Å²	40	43.8 Å²	43.8	21%	0.209	24%	0.244	C	C	.	.			trans	-66.8	145.8	174.3	-62.8	173.8	0	0	0	111	C499 G500 F507	C499-L502 WeakPolarHBondContact O-CB 3.49Å; C499-L502 PolarHBondContact O-N 3.29Å; G500-L502 PolarHBondContact O-N 2.86Å; G500-L502 VanDerWaalsContact O-N 3.07Å; L502-F507 HydrophobicContact CB-CD2 4.23Å; L502-F507 HydrophobicContact CB-CE2 3.6Å; L502-F507 HydrophobicContact CB-CZ 3.99Å; L502-F507 HydrophobicContact CD1-CE1 4.43Å; L502-F507 HydrophobicContact CD1-CE2 4.47Å; L502-F507 HydrophobicContact CD1-CZ 4.09Å
503	D	87.9	Confident	87.9	Confident	62 Å²	62	43.1 Å²	43.1	33%	0.332	23%	0.233	S	C	.	.			trans	-85.5	158.1	175.5	86.3	-31.2	0	0	0	113.1	N505 S506 F507	D503-N505 PolarHBondContact O-N 3.26Å; D503-N505 WeakPolarHBondContact OD2-CB 3.44Å; D503-S506 WeakPolarHBondContact O-CB 3.48Å; D503-S506 PolarHBondContact O-N 2.96Å; D503-S506 WeakPolarHBondContact OD1-CB 3.09Å; D503-S506 PolarHBondContact OD1-N 3.48Å; D503-S506 PolarHBondContact OD1-OG 3.08Å; D503-F507 WeakPolarHBondContact O-CD2 3.43Å; D503-F507 PolarHBondContact O-N 2.98Å
504	L	91.2	Very high	88.1	Confident	3 Å²	3	43 Å²	43	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-54.4	-36.2	179.3	174.3	58.3	0	0	0	112.2	L390 F394 L417 F418 L477 F486 V490 F507 L508	L390-L504 HydrophobicContact CD1-CD1 4.33Å; F394-L504 HydrophobicContact CB-CD1 4.24Å; F394-L504 HydrophobicContact CD1-CB 4.42Å; F394-L504 HydrophobicContact CD1-CD1 3.76Å; F394-L504 HydrophobicContact CD1-CG 4.45Å; F394-L504 HydrophobicContact CE1-CB 4.07Å; F394-L504 HydrophobicContact CE1-CD1 4.2Å; F394-L504 HydrophobicContact CG-CD1 3.99Å; L417-L504 HydrophobicContact CD2-CD2 4.41Å; F418-L504 HydrophobicContact CE1-CD1 4.39Å; L477-L504 HydrophobicContact CD1-CD2 4.16Å; F486-L504 HydrophobicContact CZ-CD2 3.89Å; V490-L504 HydrophobicContact CG1-CB 4.18Å; V490-L504 HydrophobicContact CG1-CD2 4.49Å; V490-L504 HydrophobicContact CG2-CD2 4.02Å; L504-F507 PolarHBondContact O-N 3.47Å; L504-L508 HydrophobicContact CD1-CD1 4.3Å; L504-L508 HydrophobicContact CD1-CG 4.22Å; L504-L508 HydrophobicContact CG-CD1 4.2Å; L504-L508 WeakPolarHBondContact O-CG 3.37Å; L504-L508 PolarHBondContact O-N 3.45Å
505	N	91.1	Very high	88.1	Confident	22 Å²	22	40.9 Å²	40.9	12%	0.118	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-44.1	176.5	-171.6	52.7	0	0	0	111.8	S206 L477 D503 F507 L508 L509	S206-N505 PolarHBondContact OG-ND2 3.46Å; L477-N505 HydrophobicContact CD2-CB 3.88Å; D503-N505 PolarHBondContact O-N 3.26Å; D503-N505 WeakPolarHBondContact OD2-CB 3.44Å; N505-F507 VanDerWaalsContact C-N 3.3Å; N505-F507 PolarHBondContact O-N 3.25Å; N505-L508 PolarHBondContact O-N 3.22Å; N505-L508 VanDerWaalsContact O-N 3.16Å; N505-L509 WeakPolarHBondContact O-CG 3.47Å; N505-L509 PolarHBondContact O-N 3.09Å
506	S	90	Very high	88.2	Confident	26 Å²	26	37.5 Å²	37.5	18%	0.182	21%	0.21	C	C	.	.	H	α-helix	trans	-60.4	-37.9	175.8	-61.6	0	0	0	0	112.4	D503 L509	D503-S506 WeakPolarHBondContact O-CB 3.48Å; D503-S506 PolarHBondContact O-N 2.96Å; D503-S506 WeakPolarHBondContact OD1-CB 3.09Å; D503-S506 PolarHBondContact OD1-N 3.48Å; D503-S506 PolarHBondContact OD1-OG 3.08Å; S506-L509 PolarHBondContact O-N 3.3Å
507	F	92.1	Very high	88.4	Confident	1 Å²	1	37.2 Å²	37.2	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-67.2	-39.9	173.6	-74.3	-80.3	0	0	0	112.9	T386 I389 L390 F394 C499 L502 D503 L504 N505 L509 L510	T386-F507 HydrophobicContact CG2-CD1 4.04Å; T386-F507 HydrophobicContact CG2-CE1 3.76Å; I389-F507 HydrophobicContact CB-CE1 4.15Å; I389-F507 HydrophobicContact CG2-CE1 3.68Å; I389-F507 HydrophobicContact CG2-CZ 3.73Å; L390-F507 HydrophobicContact CB-CB 4.33Å; L390-F507 HydrophobicContact CB-CD1 4.05Å; L390-F507 HydrophobicContact CB-CG 4.47Å; L390-F507 HydrophobicContact CD1-CB 3.88Å; L390-F507 HydrophobicContact CD2-CB 4.21Å; L390-F507 HydrophobicContact CG-CB 4.36Å; F394-F507 AromaticContact CE2-CD2 3.75Å; F394-F507 HydrophobicContact CE2-CD2 3.75Å; F394-F507 AromaticContact CE2-CE2 3.7Å; F394-F507 HydrophobicContact CE2-CE2 3.7Å; F394-F507 HydrophobicContact CE2-CG 4.43Å; F394-F507 HydrophobicContact CE2-CZ 4.33Å; F394-F507 HydrophobicContact CZ-CD2 4.13Å; F394-F507 HydrophobicContact CZ-CE2 4.09Å; C499-F507 HydrophobicContact CB-CE2 4.44Å; C499-F507 HydrophobicContact CB-CZ 4.37Å; L502-F507 HydrophobicContact CB-CD2 4.23Å; L502-F507 HydrophobicContact CB-CE2 3.6Å; L502-F507 HydrophobicContact CB-CZ 3.99Å; L502-F507 HydrophobicContact CD1-CE1 4.43Å; L502-F507 HydrophobicContact CD1-CE2 4.47Å; L502-F507 HydrophobicContact CD1-CZ 4.09Å; D503-F507 WeakPolarHBondContact O-CD2 3.43Å; D503-F507 PolarHBondContact O-N 2.98Å; L504-F507 PolarHBondContact O-N 3.47Å; N505-F507 VanDerWaalsContact C-N 3.3Å; N505-F507 PolarHBondContact O-N 3.25Å; F507-L509 PolarHBondContact O-N 3.3Å; F507-L510 HydrophobicContact CB-CD1 4.35Å; F507-L510 HydrophobicContact CD1-CD1 3.85Å; F507-L510 WeakPolarHBondContact O-CB 3.24Å; F507-L510 WeakPolarHBondContact O-CD1 3.35Å; F507-L510 VanDerWaalsContact O-CG 3.26Å; F507-L510 WeakPolarHBondContact O-CG 3.27Å; F507-L510 PolarHBondContact O-N 2.74Å
508	L	93.3	Very high	88.9	Confident	9 Å²	9	31.8 Å²	31.8	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-69.1	-19.6	179.4	-66.2	173.4	0	0	0	113.4	L417 F418 Y466 L477 L504 N505	L417-L508 HydrophobicContact CD1-CD1 3.64Å; L417-L508 HydrophobicContact CG-CD1 4.2Å; L417-L508 WeakPolarHBondContact O-CD2 3.12Å; F418-L508 HydrophobicContact CD1-CD2 4Å; F418-L508 HydrophobicContact CE1-CD2 4.34Å; Y466-L508 WeakPolarHBondContact CE1-O 3.42Å; Y466-L508 PolarHBondContact OH-O 3.47Å; Y466-L508 VanDerWaalsContact OH-O 3.14Å; L477-L508 HydrophobicContact CD2-CD1 4.43Å; L504-L508 HydrophobicContact CD1-CD1 4.3Å; L504-L508 HydrophobicContact CD1-CG 4.22Å; L504-L508 HydrophobicContact CG-CD1 4.2Å; L504-L508 WeakPolarHBondContact O-CG 3.37Å; L504-L508 PolarHBondContact O-N 3.45Å; N505-L508 PolarHBondContact O-N 3.22Å; N505-L508 VanDerWaalsContact O-N 3.16Å
509	L	91.6	Very high	89.4	Confident	13 Å²	13	33.4 Å²	33.4	7%	0.068	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-12.6	175.9	-66.7	171.2	0	0	0	114	S202 Q470 N505 S506 F507 M512 Q513	S202-L509 VanDerWaalsContact CB-CD1 3.46Å; Q470-L509 VanDerWaalsContact NE2-CD2 3.34Å; N505-L509 WeakPolarHBondContact O-CG 3.47Å; N505-L509 PolarHBondContact O-N 3.09Å; S506-L509 PolarHBondContact O-N 3.3Å; F507-L509 PolarHBondContact O-N 3.3Å; L509-M512 PolarHBondContact O-N 3.47Å; L509-Q513 WeakPolarHBondContact O-CG 3.3Å; L509-Q513 PolarHBondContact O-N 2.96Å; L509-Q513 VanDerWaalsContact O-N 3.15Å
510	L	92.2	Very high	90	Very high	18 Å²	18	36.8 Å²	36.8	9%	0.094	19%	0.187	C	C	.	.	H	α-helix	trans	-55.7	-42.8	-173.7	-65.5	169.8	0	0	0	114.4	Y383 T386 F507 M512 Q513 R514	Y383-L510 HydrophobicContact CD2-CB 4.47Å; Y383-L510 HydrophobicContact CE2-CB 4.01Å; T386-L510 HydrophobicContact CG2-CD1 3.44Å; T386-L510 VanDerWaalsContact CG2-CD1 3.44Å; T386-L510 HydrophobicContact CG2-CD2 4.28Å; F507-L510 HydrophobicContact CB-CD1 4.35Å; F507-L510 HydrophobicContact CD1-CD1 3.85Å; F507-L510 WeakPolarHBondContact O-CB 3.24Å; F507-L510 WeakPolarHBondContact O-CD1 3.35Å; F507-L510 VanDerWaalsContact O-CG 3.26Å; F507-L510 WeakPolarHBondContact O-CG 3.27Å; F507-L510 PolarHBondContact O-N 2.74Å; L510-M512 PolarHBondContact O-N 2.81Å; L510-Q513 PolarHBondContact O-N 2.87Å; L510-R514 PolarHBondContact O-N 2.81Å
511	P	94.3	Very high	90.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-41.2	-176.7	-24.8	37.9	0	0	0	112.9	I421 I424 Y463 Y466 Q513 R514 V515	I421-P511 HydrophobicContact CD1-CG 3.97Å; I424-P511 HydrophobicContact CG2-CB 4.09Å; I424-P511 HydrophobicContact CG2-CG 4.02Å; Y463-P511 HydrophobicContact CD1-CB 3.86Å; Y463-P511 WeakPolarHBondContact CD1-O 3.34Å; Y463-P511 HydrophobicContact CE1-CB 3.89Å; Y466-P511 HydrophobicContact CD1-CB 3.85Å; Y466-P511 HydrophobicContact CD1-CG 3.94Å; Y466-P511 HydrophobicContact CD2-CG 4.5Å; Y466-P511 HydrophobicContact CE1-CB 4.04Å; Y466-P511 HydrophobicContact CE1-CG 3.65Å; Y466-P511 HydrophobicContact CE2-CG 4.24Å; Y466-P511 HydrophobicContact CG-CB 4.28Å; Y466-P511 HydrophobicContact CG-CG 4.36Å; P511-Q513 VanDerWaalsContact C-N 3.34Å; P511-Q513 PolarHBondContact O-N 2.95Å; P511-R514 PolarHBondContact O-N 3.03Å; P511-V515 PolarHBondContact O-N 2.65Å
512	M	90.3	Very high	92	Very high	38 Å²	38	28 Å²	28	19%	0.187	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-39.4	175.4	-175.3	55.1	150.1	0	0	111.5	V467 L509 L510 T516	V467-M512 HydrophobicContact CB-SD 4.38Å; V467-M512 HydrophobicContact CG1-CE 3.65Å; V467-M512 HydrophobicContact CG1-SD 3.82Å; V467-M512 HydrophobicContact CG2-CB 4.12Å; V467-M512 HydrophobicContact CG2-CG 4.35Å; V467-M512 HydrophobicContact CG2-SD 3.56Å; V467-M512 VanDerWaalsContact CG2-SD 3.56Å; L509-M512 PolarHBondContact O-N 3.47Å; L510-M512 PolarHBondContact O-N 2.81Å; M512-T516 PolarHBondContact O-N 3.45Å; M512-T516 PolarHBondContact O-OG1 3.24Å
513	Q	91.4	Very high	92.5	Very high	58 Å²	58	27.9 Å²	27.9	27%	0.271	14%	0.14	S	C	.	.	H	α-helix	trans	-66.1	-36.1	175.3	-68.6	175.2	5	0	0	112.3	L509 L510 P511 T516 R517	L509-Q513 WeakPolarHBondContact O-CG 3.3Å; L509-Q513 PolarHBondContact O-N 2.96Å; L509-Q513 VanDerWaalsContact O-N 3.15Å; L510-Q513 PolarHBondContact O-N 2.87Å; P511-Q513 VanDerWaalsContact C-N 3.34Å; P511-Q513 PolarHBondContact O-N 2.95Å; Q513-T516 PolarHBondContact O-OG1 3.12Å; Q513-T516 VanDerWaalsContact O-OG1 3.05Å; Q513-R517 WeakPolarHBondContact O-CB 3.45Å; Q513-R517 PolarHBondContact O-N 3.42Å
514	R	95.9	Very high	92.7	Very high	7 Å²	7	26.8 Å²	26.8	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-65.7	-47.2	-179.2	-175.9	61.5	-179.1	158	4.4	112.5	V376 S379 E380 Y383 L510 P511 T516 R517 L518	V376-R514 PolarHBondContact O-NH2 3.48Å; S379-R514 PolarHBondContact OG-NH1 3.15Å; E380-R514 VanDerWaalsContact CA-NH2 3.34Å; E380-R514 VanDerWaalsContact CB-NH2 3.34Å; E380-R514 IonicContact OE2-CZ 2.64Å; E380-R514 IonicContact OE2-NE 3.9Å; E380-R514 PolarHBondContact OE2-NE 2.6Å; E380-R514 IonicContact OE2-NH2 3.7Å; E380-R514 PolarHBondContact OE2-NH2 2.85Å; Y383-R514 HydrophobicContact CD1-CB 4.37Å; Y383-R514 HydrophobicContact CD1-CG 3.77Å; Y383-R514 HydrophobicContact CD2-CB 3.92Å; Y383-R514 HydrophobicContact CD2-CG 4.15Å; Y383-R514 HydrophobicContact CE1-CB 4.05Å; Y383-R514 HydrophobicContact CE1-CG 3.67Å; Y383-R514 HydrophobicContact CE2-CB 3.56Å; Y383-R514 HydrophobicContact CE2-CG 4.06Å; Y383-R514 HydrophobicContact CG-CB 4.3Å; Y383-R514 HydrophobicContact CG-CG 4Å; L510-R514 PolarHBondContact O-N 2.81Å; P511-R514 PolarHBondContact O-N 3.03Å; R514-T516 VanDerWaalsContact C-N 3.32Å; R514-T516 PolarHBondContact O-N 3.41Å; R514-R517 PolarHBondContact O-N 3.5Å; R514-R517 VanDerWaalsContact O-N 3.1Å; R514-L518 HydrophobicContact CG-CD1 4.45Å; R514-L518 PolarHBondContact O-N 3.46Å
515	V	92	Very high	92.9	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-44.6	179.7	-171.2	0	0	0	0	110.7	Y463 P511 R517 L518 I546 L549 I550	Y463-V515 HydrophobicContact CD1-CG2 3.38Å; Y463-V515 HydrophobicContact CD2-CG2 4.27Å; Y463-V515 HydrophobicContact CE1-CG2 3.95Å; Y463-V515 HydrophobicContact CG-CG2 3.57Å; P511-V515 PolarHBondContact O-N 2.65Å; V515-R517 VanDerWaalsContact C-N 3.3Å; V515-R517 PolarHBondContact O-N 2.94Å; V515-L518 PolarHBondContact O-N 2.9Å; V515-I546 HydrophobicContact CG1-CG2 4.49Å; V515-L549 HydrophobicContact CG1-CD2 3.67Å; V515-L549 HydrophobicContact CG1-CG 4.07Å; V515-L549 HydrophobicContact CG2-CD2 4.49Å; V515-I550 HydrophobicContact CG1-CD1 4.26Å; V515-I550 HydrophobicContact CG1-CG1 3.56Å
516	T	90.5	Very high	93.1	Very high	56 Å²	56	26 Å²	26	34%	0.344	14%	0.135	S	C	.	.	H	α-helix	trans	-68.4	-25.3	177.4	59	0	0	0	0	113.5	M512 Q513 R514 R519 I550	M512-T516 PolarHBondContact O-N 3.45Å; M512-T516 PolarHBondContact O-OG1 3.24Å; Q513-T516 PolarHBondContact O-OG1 3.12Å; Q513-T516 VanDerWaalsContact O-OG1 3.05Å; R514-T516 VanDerWaalsContact C-N 3.32Å; R514-T516 PolarHBondContact O-N 3.41Å; T516-R519 WeakPolarHBondContact O-CB 3.41Å; T516-I550 HydrophobicContact CG2-CD1 4.43Å
517	R	93	Very high	93.2	Very high	63 Å²	63	29.1 Å²	29.1	24%	0.238	15%	0.147	C	C	.	.	H	α-helix	trans	-72.6	-43.3	171.6	-172.6	-179.9	-175.4	80.4	6.3	112.8	E375 Q513 R514 V515 R519 L520 L521	E375-R517 IonicContact OE1-CZ 3.62Å; E375-R517 IonicContact OE1-NH2 3.01Å; E375-R517 PolarHBondContact OE1-NH2 2.87Å; Q513-R517 WeakPolarHBondContact O-CB 3.45Å; Q513-R517 PolarHBondContact O-N 3.42Å; R514-R517 PolarHBondContact O-N 3.5Å; R514-R517 VanDerWaalsContact O-N 3.1Å; V515-R517 VanDerWaalsContact C-N 3.3Å; V515-R517 PolarHBondContact O-N 2.94Å; R517-R519 PolarHBondContact O-N 3.28Å; R517-L520 WeakPolarHBondContact O-CB 3.44Å; R517-L520 PolarHBondContact O-N 2.74Å; R517-L521 HydrophobicContact CG-CD1 3.98Å; R517-L521 HydrophobicContact CG-CG 4.27Å; R517-L521 PolarHBondContact O-N 2.78Å; R517-L521 VanDerWaalsContact O-N 3.1Å
518	L	95.9	Very high	93.2	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-56.5	-38.8	-178.8	-73.1	169.4	0	0	0	112.1	V376 F431 F460 R514 V515 L520 L521 L522 I546	V376-L518 HydrophobicContact CG1-CD2 4.24Å; F431-L518 HydrophobicContact CE1-CD2 4.27Å; F460-L518 HydrophobicContact CE2-CD1 3.77Å; F460-L518 HydrophobicContact CZ-CD1 4.25Å; R514-L518 HydrophobicContact CG-CD1 4.45Å; R514-L518 PolarHBondContact O-N 3.46Å; V515-L518 PolarHBondContact O-N 2.9Å; L518-L520 PolarHBondContact O-N 3.44Å; L518-L521 HydrophobicContact CD2-CD1 4.43Å; L518-L521 PolarHBondContact O-N 2.87Å; L518-L522 PolarHBondContact O-N 3.24Å; L518-I546 HydrophobicContact CB-CD1 3.57Å; L518-I546 HydrophobicContact CD1-CD1 4.15Å; L518-I546 HydrophobicContact CG-CD1 4.43Å
519	R	93.5	Very high	93.2	Very high	83 Å²	83	31.3 Å²	31.3	31%	0.313	16%	0.156	S	C	.	.	H	α-helix	trans	-50.2	-50.9	170.7	-164	-165.2	86	87.4	-2.9	112.8	T516 R517 L522 T523 L543 I546 E547 I550	T516-R519 WeakPolarHBondContact O-CB 3.41Å; R517-R519 PolarHBondContact O-N 3.28Å; R519-L522 PolarHBondContact O-N 3.27Å; R519-T523 PolarHBondContact O-N 3.09Å; R519-T523 VanDerWaalsContact O-N 3.1Å; R519-T523 PolarHBondContact O-OG1 2.92Å; R519-L543 HydrophobicContact CG-CD1 4.17Å; R519-I546 HydrophobicContact CB-CG2 4.06Å; R519-E547 VanDerWaalsContact CD-CD 3.48Å; R519-E547 WeakPolarHBondContact CD-OE1 3.21Å; R519-E547 WeakPolarHBondContact CD-OE2 3.47Å; R519-E547 HydrophobicContact CG-CG 4.24Å; R519-E547 WeakPolarHBondContact CG-OE1 3.21Å; R519-E547 IonicContact CZ-OE1 2.66Å; R519-E547 IonicContact NE-OE1 2.68Å; R519-E547 IonicContact NH1-OE1 3.57Å; R519-E547 PolarHBondContact NH1-OE1 2.95Å; R519-I550 HydrophobicContact CB-CD1 3.89Å; R519-I550 HydrophobicContact CG-CD1 4Å
520	L	92	Very high	93.3	Very high	75 Å²	75	33.8 Å²	33.8	39%	0.393	17%	0.173	S	C	.	.	H	α-helix	trans	-67.8	-37.7	-179.1	-60.1	175.1	0	0	0	112.3	R517 L518 T523 A524	R517-L520 WeakPolarHBondContact O-CB 3.44Å; R517-L520 PolarHBondContact O-N 2.74Å; L518-L520 PolarHBondContact O-N 3.44Å; L520-T523 PolarHBondContact O-N 3.39Å; L520-A524 PolarHBondContact O-N 3.34Å
521	L	95	Very high	93.2	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-42.3	177.1	-66.5	165.6	0	0	0	111.2	E375 V376 S379 R517 L518 T523 A524 I525	E375-L521 HydrophobicContact CB-CD2 4.17Å; E375-L521 VanDerWaalsContact CD-CD2 3.47Å; E375-L521 HydrophobicContact CG-CD2 4.22Å; E375-L521 WeakPolarHBondContact OE1-CD2 3.49Å; V376-L521 HydrophobicContact CG2-CB 4.08Å; V376-L521 HydrophobicContact CG2-CD1 4.45Å; S379-L521 WeakPolarHBondContact OG-CD1 3.32Å; R517-L521 HydrophobicContact CG-CD1 3.98Å; R517-L521 HydrophobicContact CG-CG 4.27Å; R517-L521 PolarHBondContact O-N 2.78Å; R517-L521 VanDerWaalsContact O-N 3.1Å; L518-L521 HydrophobicContact CD2-CD1 4.43Å; L518-L521 PolarHBondContact O-N 2.87Å; L521-T523 PolarHBondContact O-N 2.69Å; L521-A524 WeakPolarHBondContact O-CB 3.23Å; L521-A524 PolarHBondContact O-N 2.92Å; L521-I525 WeakPolarHBondContact O-CG1 3.48Å; L521-I525 PolarHBondContact O-N 3.4Å
522	L	96.3	Very high	93	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-39.1	172.9	-74.2	172.1	0	0	0	112.5	I452 L518 R519 A524 I525 L526 A542 L543 I546	I452-L522 HydrophobicContact CD1-CD2 3.88Å; I452-L522 HydrophobicContact CG2-CD1 4.18Å; L518-L522 PolarHBondContact O-N 3.24Å; R519-L522 PolarHBondContact O-N 3.27Å; L522-A524 VanDerWaalsContact C-N 3.31Å; L522-A524 PolarHBondContact O-N 3.32Å; L522-I525 HydrophobicContact CD2-CD1 4.43Å; L522-I525 PolarHBondContact O-N 3.12Å; L522-L526 WeakPolarHBondContact O-CB 3.43Å; L522-L526 WeakPolarHBondContact O-CG 3.35Å; L522-L526 PolarHBondContact O-N 3.07Å; L522-A542 HydrophobicContact CD1-CB 3.89Å; L522-A542 HydrophobicContact CD2-CB 3.97Å; L522-L543 HydrophobicContact CB-CB 4.42Å; L522-L543 HydrophobicContact CB-CD1 4.25Å; L522-L543 HydrophobicContact CD1-CB 4.4Å; L522-I546 HydrophobicContact CD1-CD1 3.8Å; L522-I546 HydrophobicContact CD1-CG1 4.31Å
523	T	93	Very high	93	Very high	37 Å²	37	46.5 Å²	46.5	23%	0.227	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-39.5	172.5	-45.5	0	0	0	0	111.8	R519 L520 L521 L526 H527 L849	R519-T523 PolarHBondContact O-N 3.09Å; R519-T523 VanDerWaalsContact O-N 3.1Å; R519-T523 PolarHBondContact O-OG1 2.92Å; L520-T523 PolarHBondContact O-N 3.39Å; L521-T523 PolarHBondContact O-N 2.69Å; T523-L526 PolarHBondContact O-N 3.43Å; T523-H527 PolarHBondContact O-N 3.43Å; T523-L849 HydrophobicContact CG2-CD2 4.46Å
524	A	92.8	Very high	93.1	Very high	38 Å²	38	48.3 Å²	48.3	31%	0.314	26%	0.256	S	S	.	.	H	α-helix	trans	-67.7	-39.3	176.7	0	0	0	0	0	112.8	L520 L521 L522 H527 Y528	L520-A524 PolarHBondContact O-N 3.34Å; L521-A524 WeakPolarHBondContact O-CB 3.23Å; L521-A524 PolarHBondContact O-N 2.92Å; L522-A524 VanDerWaalsContact C-N 3.31Å; L522-A524 PolarHBondContact O-N 3.32Å; A524-H527 PolarHBondContact O-N 3.4Å; A524-Y528 WeakPolarHBondContact O-CD2 3.38Å
525	I	95.4	Very high	93	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-48.5	172.7	-69.5	160.1	0	0	0	110.3	L369 A372 L373 V376 L521 L522 H527 Y528 A529 T535	L369-I525 HydrophobicContact CD1-CG2 3.99Å; A372-I525 HydrophobicContact CB-CG1 4.09Å; L373-I525 HydrophobicContact CD2-CD1 3.96Å; L373-I525 HydrophobicContact CD2-CG1 4.17Å; L373-I525 HydrophobicContact CD2-CG2 4.01Å; L373-I525 HydrophobicContact CG-CG1 4.42Å; V376-I525 HydrophobicContact CG2-CD1 3.72Å; L521-I525 WeakPolarHBondContact O-CG1 3.48Å; L521-I525 PolarHBondContact O-N 3.4Å; L522-I525 HydrophobicContact CD2-CD1 4.43Å; L522-I525 PolarHBondContact O-N 3.12Å; I525-H527 PolarHBondContact O-N 3.2Å; I525-Y528 PolarHBondContact O-N 2.96Å; I525-Y528 VanDerWaalsContact O-N 3.07Å; I525-A529 WeakPolarHBondContact O-CB 3.35Å; I525-A529 PolarHBondContact O-N 2.79Å; I525-T535 HydrophobicContact CG2-CG2 4.11Å
526	L	94.9	Very high	93.1	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.042	26%	0.262	C	S	.	.	H	α-helix	trans	-63.6	-26.2	179.9	-75.2	165.9	0	0	0	113.7	L522 T523 Y528 Y536 L540 L543 L849	L522-L526 WeakPolarHBondContact O-CB 3.43Å; L522-L526 WeakPolarHBondContact O-CG 3.35Å; L522-L526 PolarHBondContact O-N 3.07Å; T523-L526 PolarHBondContact O-N 3.43Å; L526-Y528 VanDerWaalsContact C-N 3.35Å; L526-Y536 HydrophobicContact CB-CE2 4.47Å; L526-Y536 HydrophobicContact CD2-CD2 3.54Å; L526-Y536 HydrophobicContact CD2-CE2 3.84Å; L526-Y536 HydrophobicContact CD2-CG 3.97Å; L526-Y536 WeakPolarHBondContact CD2-O 3.4Å; L526-L540 HydrophobicContact CD1-CD2 4.41Å; L526-L540 HydrophobicContact CD2-CD2 4.24Å; L526-L540 HydrophobicContact CD2-CG 4.06Å; L526-L543 HydrophobicContact CD1-CB 4.14Å; L526-L543 HydrophobicContact CD1-CD2 3.68Å; L526-L849 HydrophobicContact CD1-CD1 4.48Å
527	H	92.2	Very high	93.3	Very high	93 Å²	93	51.1 Å²	51.1	43%	0.431	27%	0.267	S	S	.	.	H	α-helix	trans	-67.9	-31.1	173.1	174.2	-85.6	0	0	0	113.1	F175 T523 A524 I525	F175-H527 AromaticContact CE2-CE1 3.41Å; F175-H527 VanDerWaalsContact CE2-CE1 3.41Å; F175-H527 WeakPolarHBondContact CE2-CE1 3.47Å; F175-H527 AromaticContact CE2-NE2 3.61Å; F175-H527 AromaticContact CZ-CE1 3.73Å; T523-H527 PolarHBondContact O-N 3.43Å; A524-H527 PolarHBondContact O-N 3.4Å; I525-H527 PolarHBondContact O-N 3.2Å
528	Y	92.3	Very high	93.5	Very high	47 Å²	47	48.2 Å²	48.2	18%	0.184	26%	0.256	C	S	.	.	H	α-helix	trans	-103	-16.8	-179.3	-59.3	-60.2	0	0	0	114.2	F175 K368 A372 A524 I525 L526	F175-Y528 WeakPolarHBondContact CE1-OH 3.26Å; F175-Y528 WeakPolarHBondContact CZ-OH 3.45Å; K368-Y528 HydrophobicContact CB-CD1 3.9Å; K368-Y528 HydrophobicContact CB-CD2 4.2Å; K368-Y528 HydrophobicContact CB-CE1 3.81Å; K368-Y528 HydrophobicContact CB-CE2 4.12Å; K368-Y528 HydrophobicContact CB-CG 4.08Å; K368-Y528 HydrophobicContact CD-CE1 3.82Å; K368-Y528 HydrophobicContact CG-CE1 4.41Å; A372-Y528 HydrophobicContact CB-CD2 4.07Å; A372-Y528 HydrophobicContact CB-CE2 4.41Å; A524-Y528 WeakPolarHBondContact O-CD2 3.38Å; I525-Y528 PolarHBondContact O-N 2.96Å; I525-Y528 VanDerWaalsContact O-N 3.07Å; L526-Y528 VanDerWaalsContact C-N 3.35Å
529	A	93.4	Very high	93.5	Very high	8 Å²	8	48.1 Å²	48.1	7%	0.066	26%	0.255	C	S	.	.	S	Bend	trans	-75.2	128.5	-178.7	0	0	0	0	0	111.8	L369 I525 K531 Y536	L369-A529 HydrophobicContact CD1-CB 3.96Å; L369-A529 HydrophobicContact CD2-CB 4.46Å; I525-A529 WeakPolarHBondContact O-CB 3.35Å; I525-A529 PolarHBondContact O-N 2.79Å; A529-K531 PolarHBondContact O-N 3.46Å; A529-Y536 HydrophobicContact CB-CD2 4.13Å; A529-Y536 WeakPolarHBondContact O-CD2 3.36Å
530	P	93.1	Very high	93.7	Very high	65 Å²	65	44.2 Å²	44.2	42%	0.422	24%	0.241	S	C	.	.			trans	-60.2	131.1	173.4	-23.8	34.1	0	0	0	111.4	Y365 N532 G533 Y536	Y365-P530 HydrophobicContact CE2-CG 4.06Å; P530-N532 PolarHBondContact O-N 3.3Å; P530-N532 VanDerWaalsContact O-N 3.12Å; P530-G533 WeakPolarHBondContact O-CA 3.48Å; P530-G533 PolarHBondContact O-N 2.95Å; P530-Y536 VanDerWaalsContact O-CB 3.28Å; P530-Y536 WeakPolarHBondContact O-CB 3.43Å
531	K	91	Very high	93.9	Very high	133 Å²	133	41 Å²	41	58%	0.578	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-36.3	-173.1	-64.5	-165.6	172.9	-164.8	0	115	A529 G533 Y536 Q537	A529-K531 PolarHBondContact O-N 3.46Å; K531-G533 VanDerWaalsContact C-N 3.26Å; K531-G533 PolarHBondContact O-N 3.4Å; K531-Y536 HydrophobicContact CB-CD1 4.26Å; K531-Y536 HydrophobicContact CB-CE1 4.12Å; K531-Y536 HydrophobicContact CG-CE1 4.09Å; K531-Y536 HydrophobicContact CG-CE2 4.15Å; K531-Y536 VanDerWaalsContact O-CD1 3.31Å; K531-Y536 WeakPolarHBondContact O-CD1 3.43Å; K531-Q537 PolarHBondContact O-NE2 3.09Å
532	N	89.6	Confident	94	Very high	166 Å²	166	40.7 Å²	40.7	89%	0.888	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.6	179.6	-60.7	-3.5	0	0	0	112.8	P530	P530-N532 PolarHBondContact O-N 3.3Å; P530-N532 VanDerWaalsContact O-N 3.12Å
533	G	90.8	Very high	94	Very high	25 Å²	25	40.6 Å²	40.6	26%	0.258	22%	0.222	S	C	.	.	S	Bend	trans	-88.7	150	-177.1	0	0	0	0	0	113.7	P530 K531 T535 Y536 Q537	P530-G533 WeakPolarHBondContact O-CA 3.48Å; P530-G533 PolarHBondContact O-N 2.95Å; K531-G533 VanDerWaalsContact C-N 3.26Å; K531-G533 PolarHBondContact O-N 3.4Å; G533-T535 PolarHBondContact O-N 3.15Å; G533-Y536 PolarHBondContact O-N 2.86Å; G533-Q537 PolarHBondContact O-N 2.86Å
534	V	92.1	Very high	94.2	Very high	96 Å²	96	39.2 Å²	39.2	58%	0.582	21%	0.214	S	C	*	.	H	α-helix	trans	-55.4	-39.3	179.2	-178.3	0	0	0	0	111.9	Q447 Y536 Q537 S538	Q447-V534 HydrophobicContact CG-CG1 4.38Å; V534-Y536 VanDerWaalsContact C-N 3.31Å; V534-Y536 PolarHBondContact O-N 2.96Å; V534-Q537 PolarHBondContact O-N 3.36Å; V534-S538 WeakPolarHBondContact O-CB 3.36Å; V534-S538 PolarHBondContact O-N 3.05Å; V534-S538 PolarHBondContact O-OG 2.88Å
535	T	93.8	Very high	94.4	Very high	19 Å²	19	37.4 Å²	37.4	12%	0.117	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-31.5	178.4	-42.8	0	0	0	0	113.2	L369 L373 P446 I525 G533 S538 G539	L369-T535 HydrophobicContact CD1-CG2 4.47Å; L373-T535 HydrophobicContact CD1-CG2 4.44Å; L373-T535 HydrophobicContact CD2-CG2 4.09Å; P446-T535 PolarHBondContact O-OG1 2.86Å; I525-T535 HydrophobicContact CG2-CG2 4.11Å; G533-T535 PolarHBondContact O-N 3.15Å; T535-S538 WeakPolarHBondContact CA-OG 3.2Å; T535-S538 PolarHBondContact O-OG 3.42Å; T535-G539 WeakPolarHBondContact O-CA 3.45Å; T535-G539 PolarHBondContact O-N 3.42Å
536	Y	95.4	Very high	94.4	Very high	12 Å²	12	37.4 Å²	37.4	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-74.3	-48.5	175.3	-171.9	-95.7	0	0	0	110.6	L526 A529 P530 K531 G533 V534 S538 G539 L540 E852	L526-Y536 HydrophobicContact CB-CE2 4.47Å; L526-Y536 HydrophobicContact CD2-CD2 3.54Å; L526-Y536 HydrophobicContact CD2-CE2 3.84Å; L526-Y536 HydrophobicContact CD2-CG 3.97Å; L526-Y536 WeakPolarHBondContact CD2-O 3.4Å; A529-Y536 HydrophobicContact CB-CD2 4.13Å; A529-Y536 WeakPolarHBondContact O-CD2 3.36Å; P530-Y536 VanDerWaalsContact O-CB 3.28Å; P530-Y536 WeakPolarHBondContact O-CB 3.43Å; K531-Y536 HydrophobicContact CB-CD1 4.26Å; K531-Y536 HydrophobicContact CB-CE1 4.12Å; K531-Y536 HydrophobicContact CG-CE1 4.09Å; K531-Y536 HydrophobicContact CG-CE2 4.15Å; K531-Y536 VanDerWaalsContact O-CD1 3.31Å; K531-Y536 WeakPolarHBondContact O-CD1 3.43Å; G533-Y536 PolarHBondContact O-N 2.86Å; V534-Y536 VanDerWaalsContact C-N 3.31Å; V534-Y536 PolarHBondContact O-N 2.96Å; Y536-S538 PolarHBondContact O-N 3.16Å; Y536-G539 PolarHBondContact O-N 3.01Å; Y536-G539 VanDerWaalsContact O-N 3.17Å; Y536-L540 HydrophobicContact CD1-CD1 3.77Å; Y536-L540 HydrophobicContact CD1-CG 4.19Å; Y536-L540 HydrophobicContact CE1-CD1 3.62Å; Y536-L540 HydrophobicContact CE1-CD2 4.41Å; Y536-L540 HydrophobicContact CE1-CG 4.11Å; Y536-L540 WeakPolarHBondContact O-CG 3.37Å; Y536-L540 PolarHBondContact O-N 3.44Å; Y536-E852 PolarHBondContact OH-OE2 2.8Å; Y536-E852 VanDerWaalsContact OH-OE2 3.07Å
537	Q	94.6	Very high	94.3	Very high	92 Å²	92	38.6 Å²	38.6	43%	0.43	21%	0.205	S	C	.	.	H	α-helix	trans	-62.2	-44.1	-180	-62.3	-61.6	-43.9	0	0	112.5	K531 G533 V534 V541	K531-Q537 PolarHBondContact O-NE2 3.09Å; G533-Q537 PolarHBondContact O-N 2.86Å; V534-Q537 PolarHBondContact O-N 3.36Å; Q537-V541 WeakPolarHBondContact O-CG2 3.5Å; Q537-V541 PolarHBondContact O-N 3.45Å
538	S	95.3	Very high	94.4	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-68.6	-37.3	172.9	54.5	0	0	0	0	112.3	C449 E450 V534 T535 Y536 L540 V541 A542	C449-S538 VanDerWaalsContact CB-C 3.49Å; C449-S538 WeakPolarHBondContact CB-OG 3.43Å; E450-S538 WeakPolarHBondContact OE1-CA 3.35Å; E450-S538 WeakPolarHBondContact OE1-CB 3.45Å; V534-S538 WeakPolarHBondContact O-CB 3.36Å; V534-S538 PolarHBondContact O-N 3.05Å; V534-S538 PolarHBondContact O-OG 2.88Å; T535-S538 WeakPolarHBondContact CA-OG 3.2Å; T535-S538 PolarHBondContact O-OG 3.42Å; Y536-S538 PolarHBondContact O-N 3.16Å; S538-L540 PolarHBondContact O-N 2.8Å; S538-V541 PolarHBondContact O-N 3.3Å; S538-A542 WeakPolarHBondContact O-CB 3.36Å; S538-A542 PolarHBondContact O-N 3.26Å
539	G	96.7	Very high	94.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-38.5	175.6	0	0	0	0	0	113.7	T535 Y536 A542 L543	T535-G539 WeakPolarHBondContact O-CA 3.45Å; T535-G539 PolarHBondContact O-N 3.42Å; Y536-G539 PolarHBondContact O-N 3.01Å; Y536-G539 VanDerWaalsContact O-N 3.17Å; G539-A542 PolarHBondContact O-N 3.26Å; G539-L543 VanDerWaalsContact O-CB 3.3Å; G539-L543 WeakPolarHBondContact O-CB 3.45Å; G539-L543 PolarHBondContact O-N 2.87Å
540	L	97.1	Very high	94.4	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-46.5	173.8	-75.4	173.4	0	0	0	111.6	L526 Y536 S538 L543 A544 L849 E852 A853 A856	L526-L540 HydrophobicContact CD1-CD2 4.41Å; L526-L540 HydrophobicContact CD2-CD2 4.24Å; L526-L540 HydrophobicContact CD2-CG 4.06Å; Y536-L540 HydrophobicContact CD1-CD1 3.77Å; Y536-L540 HydrophobicContact CD1-CG 4.19Å; Y536-L540 HydrophobicContact CE1-CD1 3.62Å; Y536-L540 HydrophobicContact CE1-CD2 4.41Å; Y536-L540 HydrophobicContact CE1-CG 4.11Å; Y536-L540 WeakPolarHBondContact O-CG 3.37Å; Y536-L540 PolarHBondContact O-N 3.44Å; S538-L540 PolarHBondContact O-N 2.8Å; L540-L543 PolarHBondContact O-N 2.89Å; L540-A544 PolarHBondContact O-N 3.46Å; L540-A544 VanDerWaalsContact O-N 3.09Å; L540-L849 HydrophobicContact CD2-CD1 3.76Å; L540-E852 HydrophobicContact CD1-CG 3.8Å; L540-E852 HydrophobicContact CD2-CB 4.33Å; L540-E852 HydrophobicContact CD2-CG 4.11Å; L540-A853 HydrophobicContact CB-CB 4.46Å; L540-A853 HydrophobicContact CD2-CB 4.04Å; L540-A853 WeakPolarHBondContact O-CB 3.35Å; L540-A856 HydrophobicContact CB-CB 3.85Å; L540-A856 HydrophobicContact CD1-CB 4.31Å
541	V	97.2	Very high	94.1	Very high	9 Å²	9	37 Å²	37	6%	0.055	20%	0.198	C	C	.	.	H	α-helix	trans	-62.3	-45.6	177.5	171.1	0	0	0	0	111	Y453 Q537 S538 S545 A856 R860	Y453-V541 HydrophobicContact CD1-CG1 4.3Å; Y453-V541 HydrophobicContact CD2-CG1 3.54Å; Y453-V541 HydrophobicContact CE1-CG1 4.31Å; Y453-V541 HydrophobicContact CE2-CG1 3.52Å; Y453-V541 HydrophobicContact CG-CG1 3.91Å; Q537-V541 WeakPolarHBondContact O-CG2 3.5Å; Q537-V541 PolarHBondContact O-N 3.45Å; S538-V541 PolarHBondContact O-N 3.3Å; V541-S545 WeakPolarHBondContact O-CB 3.28Å; V541-S545 PolarHBondContact O-N 2.96Å; V541-S545 VanDerWaalsContact O-N 3.07Å; V541-A856 HydrophobicContact CG2-CB 3.96Å; V541-R860 HydrophobicContact CG1-CB 3.99Å; V541-R860 HydrophobicContact CG1-CG 3.82Å; V541-R860 HydrophobicContact CG2-CB 4.01Å; V541-R860 HydrophobicContact CG2-CG 4.48Å
542	A	97.5	Very high	94.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-42.5	176.4	0	0	0	0	0	112.3	C449 I452 L522 S538 G539 S545 I546	C449-A542 HydrophobicContact CB-CB 4.25Å; C449-A542 WeakPolarHBondContact O-CB 3.33Å; I452-A542 HydrophobicContact CB-CB 4.46Å; I452-A542 HydrophobicContact CG2-CB 4.28Å; L522-A542 HydrophobicContact CD1-CB 3.89Å; L522-A542 HydrophobicContact CD2-CB 3.97Å; S538-A542 WeakPolarHBondContact O-CB 3.36Å; S538-A542 PolarHBondContact O-N 3.26Å; G539-A542 PolarHBondContact O-N 3.26Å; A542-S545 PolarHBondContact O-N 3.27Å; A542-I546 PolarHBondContact O-N 2.73Å
543	L	96.7	Very high	94.2	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-49	179.3	177.6	62.2	0	0	0	110.7	R519 L522 L526 G539 L540 S545 I546 E547 M850 A853	R519-L543 HydrophobicContact CG-CD1 4.17Å; L522-L543 HydrophobicContact CB-CB 4.42Å; L522-L543 HydrophobicContact CB-CD1 4.25Å; L522-L543 HydrophobicContact CD1-CB 4.4Å; L526-L543 HydrophobicContact CD1-CB 4.14Å; L526-L543 HydrophobicContact CD1-CD2 3.68Å; G539-L543 VanDerWaalsContact O-CB 3.3Å; G539-L543 WeakPolarHBondContact O-CB 3.45Å; G539-L543 PolarHBondContact O-N 2.87Å; L540-L543 PolarHBondContact O-N 2.89Å; L543-S545 VanDerWaalsContact C-N 3.31Å; L543-S545 PolarHBondContact O-N 3.29Å; L543-I546 PolarHBondContact O-N 3.47Å; L543-E547 HydrophobicContact CD1-CG 4.02Å; L543-E547 HydrophobicContact CG-CG 4.31Å; L543-E547 WeakPolarHBondContact O-CB 3.4Å; L543-E547 WeakPolarHBondContact O-CG 3.34Å; L543-E547 PolarHBondContact O-N 2.9Å; L543-M850 HydrophobicContact CD2-CE 4.15Å; L543-M850 HydrophobicContact CG-CE 4.28Å; L543-A853 HydrophobicContact CD2-CB 4.35Å
544	A	95.9	Very high	94	Very high	7 Å²	7	27.3 Å²	27.3	6%	0.058	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-32.6	177.8	0	0	0	0	0	113.3	L540 K548 A853 Y857	L540-A544 PolarHBondContact O-N 3.46Å; L540-A544 VanDerWaalsContact O-N 3.09Å; A544-K548 WeakPolarHBondContact O-CB 3.48Å; A544-K548 PolarHBondContact O-N 2.96Å; A544-A853 HydrophobicContact CB-CB 3.95Å; A544-A853 WeakPolarHBondContact CB-O 3.29Å; A544-Y857 HydrophobicContact CB-CD2 4.44Å; A544-Y857 HydrophobicContact CB-CG 4.11Å
545	S	97.1	Very high	93.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.4	-42.8	172.9	-178.8	0	0	0	0	111.9	T456 E457 V541 A542 L543 K548 L549	T456-S545 WeakPolarHBondContact CB-OG 3.19Å; T456-S545 WeakPolarHBondContact CG2-OG 3.3Å; E457-S545 PolarHBondContact OE1-OG 3.34Å; V541-S545 WeakPolarHBondContact O-CB 3.28Å; V541-S545 PolarHBondContact O-N 2.96Å; V541-S545 VanDerWaalsContact O-N 3.07Å; A542-S545 PolarHBondContact O-N 3.27Å; L543-S545 VanDerWaalsContact C-N 3.31Å; L543-S545 PolarHBondContact O-N 3.29Å; S545-K548 WeakPolarHBondContact O-CB 3.25Å; S545-K548 PolarHBondContact O-N 2.96Å; S545-L549 PolarHBondContact O-N 3.5Å
546	I	96	Very high	93.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.4	-38.5	176.4	-70.5	-166.6	0	0	0	112.3	I452 T456 V515 L518 R519 L522 A542 L543 K548 L549 I550	I452-I546 HydrophobicContact CG2-CD1 3.7Å; T456-I546 HydrophobicContact CG2-CG1 3.74Å; T456-I546 WeakPolarHBondContact OG1-CG1 3.22Å; V515-I546 HydrophobicContact CG1-CG2 4.49Å; L518-I546 HydrophobicContact CB-CD1 3.57Å; L518-I546 HydrophobicContact CD1-CD1 4.15Å; L518-I546 HydrophobicContact CG-CD1 4.43Å; R519-I546 HydrophobicContact CB-CG2 4.06Å; L522-I546 HydrophobicContact CD1-CD1 3.8Å; L522-I546 HydrophobicContact CD1-CG1 4.31Å; A542-I546 PolarHBondContact O-N 2.73Å; L543-I546 PolarHBondContact O-N 3.47Å; I546-K548 VanDerWaalsContact C-N 3.33Å; I546-K548 PolarHBondContact O-N 2.92Å; I546-L549 WeakPolarHBondContact O-CB 2.96Å; I546-L549 PolarHBondContact O-N 2.82Å; I546-L549 VanDerWaalsContact O-N 3.15Å; I546-I550 HydrophobicContact CG2-CD1 3.93Å; I546-I550 HydrophobicContact CG2-CG1 4.4Å; I546-I550 WeakPolarHBondContact O-CG1 3.09Å; I546-I550 PolarHBondContact O-N 3.33Å
547	E	92.2	Very high	92.8	Very high	33 Å²	33	29 Å²	29	15%	0.154	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-37.7	175.3	-67.2	-80.4	-163.4	0	0	111.6	R519 L543 I550 S551 M850	R519-E547 VanDerWaalsContact CD-CD 3.48Å; R519-E547 WeakPolarHBondContact CD-OE1 3.21Å; R519-E547 WeakPolarHBondContact CD-OE2 3.47Å; R519-E547 HydrophobicContact CG-CG 4.24Å; R519-E547 WeakPolarHBondContact CG-OE1 3.21Å; R519-E547 IonicContact CZ-OE1 2.66Å; R519-E547 IonicContact NE-OE1 2.68Å; R519-E547 IonicContact NH1-OE1 3.57Å; R519-E547 PolarHBondContact NH1-OE1 2.95Å; L543-E547 HydrophobicContact CD1-CG 4.02Å; L543-E547 HydrophobicContact CG-CG 4.31Å; L543-E547 WeakPolarHBondContact O-CB 3.4Å; L543-E547 WeakPolarHBondContact O-CG 3.34Å; L543-E547 PolarHBondContact O-N 2.9Å; E547-I550 PolarHBondContact O-N 3.14Å; E547-S551 WeakPolarHBondContact O-CB 3.21Å; E547-S551 PolarHBondContact O-N 3.29Å; E547-S551 PolarHBondContact O-OG 3.26Å; E547-M850 HydrophobicContact CB-SD 4.24Å; E547-M850 HydrophobicContact CG-CE 3.67Å; E547-M850 HydrophobicContact CG-SD 3.85Å; E547-M850 WeakPolarHBondContact OE1-CE 3.48Å
548	K	93.8	Very high	92.2	Very high	93 Å²	93	27.3 Å²	27.3	40%	0.404	15%	0.152	S	C	.	.	H	α-helix	trans	-61.2	-43.3	169.2	165.2	-165.3	159.4	-152	0	111.5	E457 A544 S545 I546 S551 K552 Y857	E457-K548 IonicContact OE1-NZ 2.63Å; E457-K548 PolarHBondContact OE1-NZ 3.05Å; E457-K548 IonicContact OE2-NZ 3.08Å; E457-K548 PolarHBondContact OE2-NZ 2.73Å; A544-K548 WeakPolarHBondContact O-CB 3.48Å; A544-K548 PolarHBondContact O-N 2.96Å; S545-K548 WeakPolarHBondContact O-CB 3.25Å; S545-K548 PolarHBondContact O-N 2.96Å; I546-K548 VanDerWaalsContact C-N 3.33Å; I546-K548 PolarHBondContact O-N 2.92Å; K548-S551 PolarHBondContact O-N 2.9Å; K548-K552 WeakPolarHBondContact O-CB 3.49Å; K548-K552 PolarHBondContact O-N 3.37Å; K548-Y857 HydrophobicContact CD-CE2 4.29Å; K548-Y857 WeakPolarHBondContact CD-OH 3.39Å; K548-Y857 WeakPolarHBondContact CE-OH 3.48Å; K548-Y857 PolarHBondContact NZ-OH 2.67Å
549	L	95.2	Very high	91.6	Very high	10 Å²	10	31.3 Å²	31.3	5%	0.052	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-47	176.2	174.9	66.7	0	0	0	111.7	T456 F460 V464 V515 S545 I546 S551 K552 C553	T456-L549 HydrophobicContact CG2-CB 4.12Å; T456-L549 HydrophobicContact CG2-CD2 3.98Å; F460-L549 HydrophobicContact CB-CD1 4.41Å; F460-L549 HydrophobicContact CB-CD2 3.54Å; F460-L549 HydrophobicContact CD2-CD2 3.81Å; F460-L549 HydrophobicContact CG-CD2 4.18Å; V464-L549 HydrophobicContact CG2-CD1 3.58Å; V515-L549 HydrophobicContact CG1-CD2 3.67Å; V515-L549 HydrophobicContact CG1-CG 4.07Å; V515-L549 HydrophobicContact CG2-CD2 4.49Å; S545-L549 PolarHBondContact O-N 3.5Å; I546-L549 WeakPolarHBondContact O-CB 2.96Å; I546-L549 PolarHBondContact O-N 2.82Å; I546-L549 VanDerWaalsContact O-N 3.15Å; L549-S551 PolarHBondContact O-N 3.36Å; L549-K552 WeakPolarHBondContact O-CB 3.15Å; L549-K552 PolarHBondContact O-N 3.08Å; L549-K552 VanDerWaalsContact O-N 3.14Å; L549-C553 PolarHBondContact O-N 3.29Å; L549-C553 PolarHBondContact O-SG 3.31Å
550	I	91.4	Very high	90.9	Very high	22 Å²	22	31.7 Å²	31.7	11%	0.113	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-46.8	176.4	-68.1	169	0	0	0	110.4	V515 T516 R519 I546 E547 K552 C553 D554	V515-I550 HydrophobicContact CG1-CD1 4.26Å; V515-I550 HydrophobicContact CG1-CG1 3.56Å; T516-I550 HydrophobicContact CG2-CD1 4.43Å; R519-I550 HydrophobicContact CB-CD1 3.89Å; R519-I550 HydrophobicContact CG-CD1 4Å; I546-I550 HydrophobicContact CG2-CD1 3.93Å; I546-I550 HydrophobicContact CG2-CG1 4.4Å; I546-I550 WeakPolarHBondContact O-CG1 3.09Å; I546-I550 PolarHBondContact O-N 3.33Å; E547-I550 PolarHBondContact O-N 3.14Å; I550-K552 PolarHBondContact O-N 2.85Å; I550-C553 WeakPolarHBondContact O-CB 3.3Å; I550-C553 PolarHBondContact O-N 2.92Å; I550-C553 VanDerWaalsContact O-N 3.14Å; I550-D554 PolarHBondContact O-N 3.16Å
551	S	87.8	Confident	90	Very high	55 Å²	55	33.6 Å²	33.6	39%	0.385	18%	0.177	S	C	.	.	H	α-helix	trans	-57.3	-36.8	175.8	-57.7	0	0	0	0	112	E547 K548 L549 S555	E547-S551 WeakPolarHBondContact O-CB 3.21Å; E547-S551 PolarHBondContact O-N 3.29Å; E547-S551 PolarHBondContact O-OG 3.26Å; K548-S551 PolarHBondContact O-N 2.9Å; L549-S551 PolarHBondContact O-N 3.36Å; S551-S555 VanDerWaalsContact O-CB 3.25Å; S551-S555 WeakPolarHBondContact O-CB 3.49Å; S551-S555 PolarHBondContact O-N 3.23Å; S551-S555 PolarHBondContact O-OG 3.16Å
552	K	91.6	Very high	89.2	Confident	80 Å²	80	36 Å²	36	35%	0.348	19%	0.188	S	C	.	.	H	α-helix	trans	-72	-42.8	175.4	-171.8	177	174.8	-172.7	0	112.3	E461 V464 K548 L549 I550 S555 E556	E461-K552 IonicContact OE1-NZ 3.84Å; E461-K552 PolarHBondContact OE1-NZ 3.46Å; E461-K552 IonicContact OE2-NZ 3.27Å; E461-K552 PolarHBondContact OE2-NZ 3.05Å; V464-K552 HydrophobicContact CG1-CD 4.39Å; V464-K552 HydrophobicContact CG1-CG 4.04Å; V464-K552 HydrophobicContact CG2-CD 4.07Å; V464-K552 HydrophobicContact CG2-CG 4.19Å; K548-K552 WeakPolarHBondContact O-CB 3.49Å; K548-K552 PolarHBondContact O-N 3.37Å; L549-K552 WeakPolarHBondContact O-CB 3.15Å; L549-K552 PolarHBondContact O-N 3.08Å; L549-K552 VanDerWaalsContact O-N 3.14Å; I550-K552 PolarHBondContact O-N 2.85Å; K552-S555 PolarHBondContact O-N 2.93Å; K552-E556 HydrophobicContact CG-CG 4.25Å; K552-E556 WeakPolarHBondContact O-CB 3.24Å; K552-E556 WeakPolarHBondContact O-CG 3.49Å; K552-E556 PolarHBondContact O-N 3.08Å
553	C	90.6	Very high	88.3	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.014	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-49.3	174	-73.7	0	0	0	0	112.1	V467 L549 I550 K557	V467-C553 HydrophobicContact CB-CB 4.21Å; V467-C553 HydrophobicContact CG1-CB 3.98Å; V467-C553 HydrophobicContact CG2-CB 4.45Å; L549-C553 PolarHBondContact O-N 3.29Å; L549-C553 PolarHBondContact O-SG 3.31Å; I550-C553 WeakPolarHBondContact O-CB 3.3Å; I550-C553 PolarHBondContact O-N 2.92Å; I550-C553 VanDerWaalsContact O-N 3.14Å; C553-K557 WeakPolarHBondContact O-CB 3.15Å; C553-K557 PolarHBondContact O-N 3.29Å
554	D	85.3	Confident	87.4	Confident	39 Å²	39	40.6 Å²	40.6	21%	0.209	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-42	176.6	-91.7	16.2	0	0	0	111.4	I550 A558 R822	I550-D554 PolarHBondContact O-N 3.16Å; D554-A558 WeakPolarHBondContact O-CB 3.47Å; D554-A558 PolarHBondContact O-N 3.41Å; D554-R822 IonicContact OD2-CZ 2.64Å; D554-R822 IonicContact OD2-NH1 3.99Å; D554-R822 PolarHBondContact OD2-NH1 2.95Å; D554-R822 VanDerWaalsContact OD2-NH1 3.1Å; D554-R822 IonicContact OD2-NH2 3.66Å
555	S	84.6	Confident	86.7	Confident	71 Å²	71	42.7 Å²	42.7	50%	0.497	22%	0.215	S	C	.	.	H	α-helix	trans	-65.7	-45.8	179.2	-62	0	0	0	0	112.8	S551 K552 A558 R559	S551-S555 VanDerWaalsContact O-CB 3.25Å; S551-S555 WeakPolarHBondContact O-CB 3.49Å; S551-S555 PolarHBondContact O-N 3.23Å; S551-S555 PolarHBondContact O-OG 3.16Å; K552-S555 PolarHBondContact O-N 2.93Å; S555-A558 PolarHBondContact O-N 3.24Å; S555-R559 WeakPolarHBondContact O-CB 3.25Å; S555-R559 PolarHBondContact O-N 2.82Å
556	E	86.7	Confident	86	Confident	49 Å²	49	43 Å²	43	23%	0.229	22%	0.217	C	C	.	.	H	α-helix	trans	-71.3	-34.3	-179.3	-70.7	-62.4	104.7	0	0	112	V464 Q468 K552 R559 M560	V464-E556 HydrophobicContact CG1-CB 3.91Å; V464-E556 HydrophobicContact CG1-CG 3.74Å; Q468-E556 HydrophobicContact CB-CB 4.02Å; K552-E556 HydrophobicContact CG-CG 4.25Å; K552-E556 WeakPolarHBondContact O-CB 3.24Å; K552-E556 WeakPolarHBondContact O-CG 3.49Å; K552-E556 PolarHBondContact O-N 3.08Å; E556-R559 VanDerWaalsContact CD-NE 3.27Å; E556-R559 PolarHBondContact O-N 3.49Å; E556-R559 IonicContact OE1-NE 2.64Å; E556-R559 PolarHBondContact OE1-NE 3.25Å; E556-R559 VanDerWaalsContact OE1-NE 3.08Å; E556-R559 IonicContact OE2-CZ 3.53Å; E556-R559 IonicContact OE2-NE 2.65Å; E556-R559 PolarHBondContact OE2-NE 3.14Å; E556-R559 IonicContact OE2-NH2 2.71Å; E556-R559 PolarHBondContact OE2-NH2 3.34Å; E556-M560 WeakPolarHBondContact O-CG 3.48Å; E556-M560 PolarHBondContact O-N 3.14Å
557	K	85.9	Confident	85	Confident	43 Å²	43	44.6 Å²	44.6	19%	0.187	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-52.8	167.7	177	176.4	172	175.6	0	111.2	V467 C553 R559 M560 E561	V467-K557 HydrophobicContact CG1-CB 4.22Å; V467-K557 HydrophobicContact CG1-CD 4.47Å; C553-K557 WeakPolarHBondContact O-CB 3.15Å; C553-K557 PolarHBondContact O-N 3.29Å; K557-R559 VanDerWaalsContact C-N 3.28Å; K557-R559 PolarHBondContact O-N 2.91Å; K557-M560 PolarHBondContact O-N 3.1Å; K557-M560 VanDerWaalsContact O-N 3.09Å; K557-E561 WeakPolarHBondContact CE-OE1 3.05Å; K557-E561 IonicContact NZ-OE1 3.64Å; K557-E561 PolarHBondContact O-N 2.87Å
558	A	81	Confident	84.5	Confident	55 Å²	55	45.6 Å²	45.6	46%	0.455	23%	0.231	S	C	.	.	H	α-helix	trans	-59.6	-38.5	178.9	0	0	0	0	0	112.2	D554 S555 E561 Q562	D554-A558 WeakPolarHBondContact O-CB 3.47Å; D554-A558 PolarHBondContact O-N 3.41Å; S555-A558 PolarHBondContact O-N 3.24Å; A558-E561 PolarHBondContact O-N 2.81Å; A558-Q562 VanDerWaalsContact O-CB 3.3Å; A558-Q562 WeakPolarHBondContact O-CB 3.17Å; A558-Q562 PolarHBondContact O-N 3.07Å
559	R	83.1	Confident	84.1	Confident	87 Å²	87	41.2 Å²	41.2	33%	0.328	21%	0.212	S	C	.	.	H	α-helix	trans	-62	-40.3	174.3	-168.8	-169.5	57.1	54.7	0.9	112.1	S555 E556 K557 K563	S555-R559 WeakPolarHBondContact O-CB 3.25Å; S555-R559 PolarHBondContact O-N 2.82Å; E556-R559 VanDerWaalsContact CD-NE 3.27Å; E556-R559 PolarHBondContact O-N 3.49Å; E556-R559 IonicContact OE1-NE 2.64Å; E556-R559 PolarHBondContact OE1-NE 3.25Å; E556-R559 VanDerWaalsContact OE1-NE 3.08Å; E556-R559 IonicContact OE2-CZ 3.53Å; E556-R559 IonicContact OE2-NE 2.65Å; E556-R559 PolarHBondContact OE2-NE 3.14Å; E556-R559 IonicContact OE2-NH2 2.71Å; E556-R559 PolarHBondContact OE2-NH2 3.34Å; K557-R559 VanDerWaalsContact C-N 3.28Å; K557-R559 PolarHBondContact O-N 2.91Å; R559-K563 VanDerWaalsContact O-CB 3.31Å; R559-K563 WeakPolarHBondContact O-CB 3.18Å; R559-K563 PolarHBondContact O-N 3.04Å
560	M	82.2	Confident	83.4	Confident	8 Å²	8	42.2 Å²	42.2	4%	0.039	22%	0.219	C	C	.	.	H	α-helix	trans	-72.9	-40.6	177.2	-69.4	-59.6	-73.2	0	0	112.4	L235 Q468 Y472 E556 K557 K563 E564	L235-M560 HydrophobicContact CD2-CE 4.16Å; Q468-M560 HydrophobicContact CB-CG 3.99Å; Q468-M560 WeakPolarHBondContact O-CB 3.46Å; Y472-M560 HydrophobicContact CE2-CE 3.73Å; E556-M560 WeakPolarHBondContact O-CG 3.48Å; E556-M560 PolarHBondContact O-N 3.14Å; K557-M560 PolarHBondContact O-N 3.1Å; K557-M560 VanDerWaalsContact O-N 3.09Å; M560-K563 PolarHBondContact O-N 3.43Å; M560-E564 PolarHBondContact O-N 3.1Å
561	E	79.4	Confident	83	Confident	41 Å²	41	47.8 Å²	47.8	19%	0.192	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-45.1	173.1	-69	-174.1	-172.6	0	0	111.6	R212 M471 K557 A558 K563 E564 R565	R212-E561 IonicContact NH1-OE2 2.71Å; M471-E561 HydrophobicContact CE-CG 3.78Å; K557-E561 WeakPolarHBondContact CE-OE1 3.05Å; K557-E561 IonicContact NZ-OE1 3.64Å; K557-E561 PolarHBondContact O-N 2.87Å; A558-E561 PolarHBondContact O-N 2.81Å; E561-K563 VanDerWaalsContact C-N 3.34Å; E561-K563 PolarHBondContact O-N 3.4Å; E561-E564 PolarHBondContact O-N 2.96Å; E561-R565 PolarHBondContact O-N 2.94Å
562	Q	79.6	Confident	82.9	Confident	60 Å²	60	48.1 Å²	48.1	28%	0.28	23%	0.232	S	C	.	.	H	α-helix	trans	-63	-38.8	175.8	-172.6	174.8	64.9	0	0	112.1	A558 R565 L566 T588 L589	A558-Q562 VanDerWaalsContact O-CB 3.3Å; A558-Q562 WeakPolarHBondContact O-CB 3.17Å; A558-Q562 PolarHBondContact O-N 3.07Å; Q562-R565 PolarHBondContact O-N 3.38Å; Q562-L566 VanDerWaalsContact O-CB 3.31Å; Q562-L566 WeakPolarHBondContact O-CB 3.22Å; Q562-L566 PolarHBondContact O-N 3.24Å; Q562-T588 VanDerWaalsContact OE1-CB 3.28Å; Q562-T588 VanDerWaalsContact OE1-CG2 3.3Å; Q562-L589 HydrophobicContact CG-CB 4.48Å; Q562-L589 VanDerWaalsContact NE2-N 3.16Å; Q562-L589 PolarHBondContact NE2-O 3.43Å
563	K	79	Confident	82.6	Confident	59 Å²	59	44.4 Å²	44.4	26%	0.257	22%	0.216	S	C	.	.	H	α-helix	trans	-71.2	-34.6	178.9	-165.3	164.3	-176.7	-172.5	0	112.7	L235 R559 M560 E561 L566 V567	L235-K563 HydrophobicContact CD2-CD 3.97Å; R559-K563 VanDerWaalsContact O-CB 3.31Å; R559-K563 WeakPolarHBondContact O-CB 3.18Å; R559-K563 PolarHBondContact O-N 3.04Å; M560-K563 PolarHBondContact O-N 3.43Å; E561-K563 VanDerWaalsContact C-N 3.34Å; E561-K563 PolarHBondContact O-N 3.4Å; K563-L566 PolarHBondContact O-N 3.26Å; K563-V567 PolarHBondContact O-N 3.48Å
564	E	77	Confident	82.2	Confident	38 Å²	38	46.5 Å²	46.5	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-49.6	169.1	175.6	164	-114.6	0	0	111.1	R475 M560 E561 L566 V567 E568	R475-E564 IonicContact CZ-OE1 3.38Å; R475-E564 IonicContact CZ-OE2 2.69Å; R475-E564 IonicContact NE-OE1 3.47Å; R475-E564 PolarHBondContact NE-OE1 3.01Å; R475-E564 IonicContact NE-OE2 3.86Å; R475-E564 IonicContact NH1-OE1 4Å; R475-E564 PolarHBondContact NH1-OE1 3.36Å; R475-E564 IonicContact NH1-OE2 2.67Å; R475-E564 PolarHBondContact NH1-OE2 3.01Å; R475-E564 IonicContact NH2-OE1 3.96Å; R475-E564 PolarHBondContact NH2-OE1 2.93Å; M560-E564 PolarHBondContact O-N 3.1Å; E561-E564 PolarHBondContact O-N 2.96Å; E564-L566 PolarHBondContact O-N 2.95Å; E564-V567 PolarHBondContact O-N 2.79Å; E564-E568 PolarHBondContact O-N 2.98Å; E564-E568 VanDerWaalsContact O-N 3.09Å
565	R	81.4	Confident	81.9	Confident	52 Å²	52	47.4 Å²	47.4	20%	0.196	23%	0.226	C	C	.	.	H	α-helix	trans	-56.6	-39.6	178	177.7	59.1	-171.3	174.5	3.3	111.8	E561 Q562 E568 I569 L589 E592	E561-R565 PolarHBondContact O-N 2.94Å; Q562-R565 PolarHBondContact O-N 3.38Å; R565-E568 IonicContact CZ-OE1 3.96Å; R565-E568 IonicContact CZ-OE2 3.2Å; R565-E568 IonicContact NH1-OE1 2.67Å; R565-E568 PolarHBondContact NH1-OE1 2.66Å; R565-E568 IonicContact NH1-OE2 3.68Å; R565-E568 PolarHBondContact NH1-OE2 2.97Å; R565-E568 WeakPolarHBondContact O-CB 3.34Å; R565-E568 PolarHBondContact O-N 2.64Å; R565-I569 HydrophobicContact CG-CD1 4.1Å; R565-I569 WeakPolarHBondContact O-CG1 3.5Å; R565-I569 PolarHBondContact O-N 3.27Å; R565-L589 HydrophobicContact CG-CD2 4.05Å; R565-E592 IonicContact CZ-OE1 3.52Å; R565-E592 IonicContact CZ-OE2 2.85Å; R565-E592 VanDerWaalsContact CZ-OE2 3.22Å; R565-E592 IonicContact NE-OE1 3.91Å; R565-E592 IonicContact NE-OE2 2.74Å; R565-E592 PolarHBondContact NE-OE2 2.93Å; R565-E592 IonicContact NH2-OE1 3.64Å; R565-E592 PolarHBondContact NH2-OE1 3.14Å; R565-E592 IonicContact NH2-OE2 2.69Å; R565-E592 PolarHBondContact NH2-OE2 2.87Å
566	L	81.3	Confident	81.3	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-64.2	-41.7	180	-170.5	53.3	0	0	0	112.8	Q562 K563 E564 I569 C570 T584 R587 F628	Q562-L566 VanDerWaalsContact O-CB 3.31Å; Q562-L566 WeakPolarHBondContact O-CB 3.22Å; Q562-L566 PolarHBondContact O-N 3.24Å; K563-L566 PolarHBondContact O-N 3.26Å; E564-L566 PolarHBondContact O-N 2.95Å; L566-I569 PolarHBondContact O-N 3.42Å; L566-C570 PolarHBondContact O-N 3.14Å; L566-C570 PolarHBondContact O-SG 2.99Å; L566-T584 HydrophobicContact CD1-CG2 3.81Å; L566-T584 WeakPolarHBondContact CD2-O 3.34Å; L566-T584 HydrophobicContact CG-CG2 4.19Å; L566-R587 VanDerWaalsContact CD2-O 3.27Å; L566-R587 WeakPolarHBondContact CD2-O 3.44Å; L566-F628 HydrophobicContact CD1-CD1 4.35Å; L566-F628 HydrophobicContact CD1-CE1 3.49Å; L566-F628 VanDerWaalsContact CD1-CE1 3.49Å; L566-F628 HydrophobicContact CD1-CZ 4.18Å
567	V	76.8	Confident	79.7	Confident	33 Å²	33	57.3 Å²	57.3	20%	0.2	26%	0.255	C	S	.	.	H	α-helix	trans	-69.1	-35.2	175.9	173.5	0	0	0	0	111.8	F231 K563 E564 C570 R571	F231-V567 HydrophobicContact CD2-CG1 3.89Å; F231-V567 HydrophobicContact CD2-CG2 4.37Å; F231-V567 HydrophobicContact CE2-CB 4.08Å; F231-V567 HydrophobicContact CE2-CG1 3.93Å; F231-V567 HydrophobicContact CE2-CG2 3.86Å; K563-V567 PolarHBondContact O-N 3.48Å; E564-V567 PolarHBondContact O-N 2.79Å; V567-C570 PolarHBondContact O-N 3.49Å; V567-R571 HydrophobicContact CG1-CG 4.49Å; V567-R571 WeakPolarHBondContact O-CG 3.41Å; V567-R571 PolarHBondContact O-N 2.93Å
568	E	81.2	Confident	78.1	Confident	53 Å²	53	63 Å²	63	25%	0.248	29%	0.287	C	S	.	.	H	α-helix	trans	-60.9	-44.3	172.2	-168	-137.4	123.3	0	0	111.5	L216 E564 R565 R571 R572	L216-E568 WeakPolarHBondContact CD2-OE2 3.44Å; E564-E568 PolarHBondContact O-N 2.98Å; E564-E568 VanDerWaalsContact O-N 3.09Å; R565-E568 IonicContact CZ-OE1 3.96Å; R565-E568 IonicContact CZ-OE2 3.2Å; R565-E568 IonicContact NH1-OE1 2.67Å; R565-E568 PolarHBondContact NH1-OE1 2.66Å; R565-E568 IonicContact NH1-OE2 3.68Å; R565-E568 PolarHBondContact NH1-OE2 2.97Å; R565-E568 WeakPolarHBondContact O-CB 3.34Å; R565-E568 PolarHBondContact O-N 2.64Å; E568-R571 PolarHBondContact O-N 2.8Å; E568-R572 WeakPolarHBondContact O-CD 2.87Å; E568-R572 VanDerWaalsContact O-CG 3.27Å; E568-R572 WeakPolarHBondContact O-CG 3.5Å; E568-R572 PolarHBondContact O-N 2.91Å; E568-R572 VanDerWaalsContact OE1-CD 3.23Å; E568-R572 WeakPolarHBondContact OE1-CD 3.36Å; E568-R572 IonicContact OE1-CZ 3.55Å; E568-R572 IonicContact OE1-NE 2.66Å; E568-R572 IonicContact OE1-NH1 3.44Å; E568-R572 PolarHBondContact OE1-NH1 2.76Å
569	I	83.9	Confident	76.9	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-59.2	-50.4	173.5	-66.7	163.5	0	0	0	110.2	R565 L566 R571 R572 L573 L589 F626	R565-I569 HydrophobicContact CG-CD1 4.1Å; R565-I569 WeakPolarHBondContact O-CG1 3.5Å; R565-I569 PolarHBondContact O-N 3.27Å; L566-I569 PolarHBondContact O-N 3.42Å; I569-R571 VanDerWaalsContact C-N 3.29Å; I569-R571 PolarHBondContact O-N 3.1Å; I569-R572 CarbonylContact O-C 3.58Å; I569-R572 WeakPolarHBondContact O-CA 3.31Å; I569-R572 WeakPolarHBondContact O-CB 3.49Å; I569-R572 PolarHBondContact O-N 2.69Å; I569-L573 HydrophobicContact CG2-CD1 3.95Å; I569-L573 HydrophobicContact CG2-CG 4.03Å; I569-L573 WeakPolarHBondContact O-CG 3.32Å; I569-L573 PolarHBondContact O-N 2.73Å; I569-L589 HydrophobicContact CD1-CD1 4.36Å; I569-L589 HydrophobicContact CD1-CD2 3.7Å; I569-F626 HydrophobicContact CD1-CD1 3.82Å; I569-F626 HydrophobicContact CD1-CE1 3.86Å; I569-F626 HydrophobicContact CG1-CD1 4.27Å; I569-F626 HydrophobicContact CG1-CE1 3.86Å; I569-F626 HydrophobicContact CG2-CD1 4.17Å; I569-F626 HydrophobicContact CG2-CE1 4.08Å; I569-F626 HydrophobicContact CG2-CZ 4.35Å
570	C	82.1	Confident	75.6	Confident	30 Å²	30	67.4 Å²	67.4	20%	0.203	31%	0.306	C	S	.	.	H	α-helix	trans	-58.2	-36.2	179.5	-70.6	0	0	0	0	113.8	L566 V567 R572 T584	L566-C570 PolarHBondContact O-N 3.14Å; L566-C570 PolarHBondContact O-SG 2.99Å; V567-C570 PolarHBondContact O-N 3.49Å; C570-R572 VanDerWaalsContact C-N 3.26Å; C570-R572 PolarHBondContact O-N 2.85Å; C570-T584 VanDerWaalsContact SG-CG2 3.53Å; C570-T584 PolarHBondContact SG-OG1 2.95Å
571	R	81.4	Confident	74.5	Confident	139 Å²	139	71.4 Å²	71.4	53%	0.525	33%	0.334	S	S	.	.	H	α-helix	trans	-68.1	-24.3	174.5	-73.1	170.8	176.3	153.4	0.7	113.2	V567 E568 I569	V567-R571 HydrophobicContact CG1-CG 4.49Å; V567-R571 WeakPolarHBondContact O-CG 3.41Å; V567-R571 PolarHBondContact O-N 2.93Å; E568-R571 PolarHBondContact O-N 2.8Å; I569-R571 VanDerWaalsContact C-N 3.29Å; I569-R571 PolarHBondContact O-N 3.1Å
572	R	86	Confident	73.6	Confident	63 Å²	63	70.2 Å²	70.2	24%	0.238	33%	0.329	C	S	.	.	H	α-helix	trans	-93.3	-22.4	-178.5	-67.3	168.3	57.9	-156.5	-10.2	113.4	E568 I569 C570 Q641 H642 L643	E568-R572 WeakPolarHBondContact O-CD 2.87Å; E568-R572 VanDerWaalsContact O-CG 3.27Å; E568-R572 WeakPolarHBondContact O-CG 3.5Å; E568-R572 PolarHBondContact O-N 2.91Å; E568-R572 VanDerWaalsContact OE1-CD 3.23Å; E568-R572 WeakPolarHBondContact OE1-CD 3.36Å; E568-R572 IonicContact OE1-CZ 3.55Å; E568-R572 IonicContact OE1-NE 2.66Å; E568-R572 IonicContact OE1-NH1 3.44Å; E568-R572 PolarHBondContact OE1-NH1 2.76Å; I569-R572 CarbonylContact O-C 3.58Å; I569-R572 WeakPolarHBondContact O-CA 3.31Å; I569-R572 WeakPolarHBondContact O-CB 3.49Å; I569-R572 PolarHBondContact O-N 2.69Å; C570-R572 VanDerWaalsContact C-N 3.26Å; C570-R572 PolarHBondContact O-N 2.85Å; R572-Q641 WeakPolarHBondContact CB-O 3.27Å; R572-Q641 WeakPolarHBondContact CG-O 3.47Å; R572-H642 WeakPolarHBondContact O-CA 3.49Å; R572-L643 PolarHBondContact O-N 2.71Å
573	L	85.4	Confident	72.4	Confident	2 Å²	2	71 Å²	71	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128.6	179.1	-68.7	179.3	0	0	0	112.4	I569 Y575 L582 F626 L633 T635 L643 V645	I569-L573 HydrophobicContact CG2-CD1 3.95Å; I569-L573 HydrophobicContact CG2-CG 4.03Å; I569-L573 WeakPolarHBondContact O-CG 3.32Å; I569-L573 PolarHBondContact O-N 2.73Å; L573-Y575 HydrophobicContact CB-CE2 4.22Å; L573-L582 HydrophobicContact CD1-CD1 4.15Å; L573-F626 HydrophobicContact CD2-CE2 4.39Å; L573-L633 HydrophobicContact CD1-CD1 3.81Å; L573-T635 HydrophobicContact CD2-CG2 3.86Å; L573-L643 HydrophobicContact CD2-CB 4.33Å; L573-V645 HydrophobicContact CB-CG2 4.46Å; L573-V645 HydrophobicContact CD2-CG2 3.98Å
574	E	83.4	Confident	71.3	Confident	45 Å²	45	68.9 Å²	68.9	21%	0.21	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.9	163.6	-68.3	178.7	-170.6	0	0	109.6	R638 H642 L643 L644 V645	E574-R638 IonicContact OE1-NH1 3.55Å; E574-R638 WeakPolarHBondContact OE2-CD 3.17Å; E574-R638 IonicContact OE2-CZ 2.95Å; E574-R638 IonicContact OE2-NE 2.74Å; E574-R638 IonicContact OE2-NH1 2.96Å; E574-R638 PolarHBondContact OE2-NH1 2.65Å; E574-H642 HydrophobicContact CG-CB 4.12Å; E574-H642 VanDerWaalsContact OE1-CB 3.28Å; E574-H642 WeakPolarHBondContact OE1-CB 3.49Å; E574-H642 IonicContact OE1-CD2 3.74Å; E574-H642 IonicContact OE1-CG 3.46Å; E574-L643 PolarHBondContact N-O 2.86Å; E574-L644 HydrophobicContact CB-CD1 4.37Å; E574-V645 PolarHBondContact O-N 2.91Å
575	Y	78.4	Confident	70.1	Confident	59 Å²	59	74.7 Å²	74.7	23%	0.231	37%	0.365	C	S	.	.			trans	-98.4	146	176.6	-63.2	-90.8	0	0	0	110.7	L573 A579 L582 V645	L573-Y575 HydrophobicContact CB-CE2 4.22Å; Y575-A579 HydrophobicContact CD1-CB 4.06Å; Y575-L582 HydrophobicContact CE1-CD1 4.34Å; Y575-L582 HydrophobicContact CE1-CG 4.18Å; Y575-L582 WeakPolarHBondContact OH-CB 3.49Å; Y575-L582 WeakPolarHBondContact OH-CD1 3.27Å; Y575-L582 WeakPolarHBondContact OH-CG 3.35Å; Y575-L582 PolarHBondContact OH-N 3.48Å; Y575-L582 VanDerWaalsContact OH-N 3.11Å; Y575-V645 HydrophobicContact CD1-CB 4.33Å; Y575-V645 HydrophobicContact CD1-CG2 3.98Å; Y575-V645 HydrophobicContact CE1-CG2 3.99Å
576	K	71.1	Confident	69.3	Low	87 Å²	87	77.4 Å²	77.4	38%	0.378	39%	0.392	S	S	.	.			trans	-65.9	149.8	159.9	-61.3	170.1	-172.6	167.9	0	108.3	D578 A579 L644 V645 E646	K576-D578 PolarHBondContact O-N 3.45Å; K576-A579 PolarHBondContact O-N 3.01Å; K576-L644 HydrophobicContact CG-CD1 4.18Å; K576-V645 WeakPolarHBondContact CE-O 3.46Å; K576-E646 VanDerWaalsContact CE-OE2 3.27Å; K576-E646 WeakPolarHBondContact CE-OE2 3.48Å; K576-E646 PolarHBondContact NZ-O 2.82Å; K576-E646 IonicContact NZ-OE2 3.23Å; K576-E646 PolarHBondContact NZ-OE2 3.24Å
577	Y	54.3	Low	69	Low	241 Å²	241	79.1 Å²	79.1	95%	0.945	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.9	-166.8	-63.9	-75.8	0	0	0	116.2
578	D	52.2	Low	69.2	Low	161 Å²	161	80.3 Å²	80.3	86%	0.861	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-6.1	-178.4	-48.2	-66.7	0	0	0	114.4	K576	K576-D578 PolarHBondContact O-N 3.45Å
579	A	55.9	Low	69.5	Low	40 Å²	40	78 Å²	78	33%	0.331	40%	0.395	S	S	.	.	S	Bend	trans	-83.9	129.6	-176.2	0	0	0	0	0	111.7	Y575 K576 S581	Y575-A579 HydrophobicContact CD1-CB 4.06Å; K576-A579 PolarHBondContact O-N 3.01Å; A579-S581 PolarHBondContact O-N 2.74Å
580	K	56	Low	69.6	Low	196 Å²	196	80.3 Å²	80.3	85%	0.852	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-62.5	121.6	175.8	-68.6	173.9	-178.3	169.1	0	109.7	L582	K580-L582 PolarHBondContact O-N 3.3Å
581	S	59.4	Low	69.9	Low	91 Å²	91	79 Å²	79	64%	0.636	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-57.2	135	169.3	-172	0	0	0	0	109.8	A579 A583	A579-S581 PolarHBondContact O-N 2.74Å; S581-A583 PolarHBondContact O-N 2.55Å
582	L	59.5	Low	70.4	Confident	16 Å²	16	74.5 Å²	74.5	8%	0.084	39%	0.385	C	S	.	.			trans	-73.1	113.2	-175.7	-63.7	160.4	0	0	0	110.1	L573 Y575 K580 T584 Y631 L633	L573-L582 HydrophobicContact CD1-CD1 4.15Å; Y575-L582 HydrophobicContact CE1-CD1 4.34Å; Y575-L582 HydrophobicContact CE1-CG 4.18Å; Y575-L582 WeakPolarHBondContact OH-CB 3.49Å; Y575-L582 WeakPolarHBondContact OH-CD1 3.27Å; Y575-L582 WeakPolarHBondContact OH-CG 3.35Å; Y575-L582 PolarHBondContact OH-N 3.48Å; Y575-L582 VanDerWaalsContact OH-N 3.11Å; K580-L582 PolarHBondContact O-N 3.3Å; L582-T584 VanDerWaalsContact C-N 3.34Å; L582-T584 HydrophobicContact CB-CG2 3.81Å; L582-T584 PolarHBondContact O-N 2.71Å; L582-Y631 HydrophobicContact CD2-CD1 3.89Å; L582-Y631 HydrophobicContact CD2-CE1 3.67Å; L582-L633 HydrophobicContact CD1-CD1 3.38Å; L582-L633 HydrophobicContact CD1-CD2 3.57Å; L582-L633 HydrophobicContact CD1-CG 4Å; L582-L633 HydrophobicContact CD2-CD2 4.2Å; L582-L633 HydrophobicContact CG-CD2 4.44Å
583	A	53.7	Low	70.6	Confident	77 Å²	77	72.4 Å²	72.4	64%	0.636	38%	0.383	S	S	*	.			trans	-63.6	99.2	158.3	0	0	0	0	0	107.7	S581 R587	S581-A583 PolarHBondContact O-N 2.55Å; A583-R587 PolarHBondContact O-NE 3.01Å
584	T	56.6	Low	70.9	Confident	15 Å²	15	76 Å²	76	9%	0.092	40%	0.402	C	S	.	.			trans	-97.1	-14.3	-171.8	38.2	0	0	0	0	114	L566 C570 L582 S586 R587	L566-T584 HydrophobicContact CD1-CG2 3.81Å; L566-T584 WeakPolarHBondContact CD2-O 3.34Å; L566-T584 HydrophobicContact CG-CG2 4.19Å; C570-T584 VanDerWaalsContact SG-CG2 3.53Å; C570-T584 PolarHBondContact SG-OG1 2.95Å; L582-T584 VanDerWaalsContact C-N 3.34Å; L582-T584 HydrophobicContact CB-CG2 3.81Å; L582-T584 PolarHBondContact O-N 2.71Å; T584-S586 PolarHBondContact O-N 2.83Å; T584-R587 PolarHBondContact O-N 2.91Å
585	E	52.9	Low	71.2	Confident	160 Å²	160	74.1 Å²	74.1	75%	0.748	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-22	-170.2	-68.1	166.9	-161.4	0	0	115.9
586	S	63	Low	71.7	Confident	109 Å²	109	77.4 Å²	77.4	76%	0.762	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	2.2	179.5	58.4	0	0	0	0	115.3	T584	T584-S586 PolarHBondContact O-N 2.83Å
587	R	76.3	Confident	72.5	Confident	42 Å²	42	73.6 Å²	73.6	16%	0.158	39%	0.389	C	S	.	.			trans	-98.8	135.1	-172.5	-60.2	-179.3	-171.7	-118.4	-1.4	112	L566 A583 T584 F628 D630 Y631	L566-R587 VanDerWaalsContact CD2-O 3.27Å; L566-R587 WeakPolarHBondContact CD2-O 3.44Å; A583-R587 PolarHBondContact O-NE 3.01Å; T584-R587 PolarHBondContact O-N 2.91Å; R587-F628 HydrophobicContact CB-CB 4.46Å; R587-F628 HydrophobicContact CB-CD1 4.21Å; R587-D630 IonicContact CZ-OD1 2.66Å; R587-D630 IonicContact CZ-OD2 2.66Å; R587-D630 IonicContact NE-OD1 2.83Å; R587-D630 IonicContact NE-OD2 3.21Å; R587-D630 IonicContact NH1-OD1 3.69Å; R587-D630 PolarHBondContact NH1-OD1 3.43Å; R587-D630 IonicContact NH1-OD2 3.36Å; R587-D630 PolarHBondContact NH1-OD2 2.81Å; R587-D630 IonicContact NH2-OD2 2.74Å; R587-Y631 VanDerWaalsContact NH1-CG 3.28Å
588	T	81.3	Confident	73.8	Confident	59 Å²	59	64.4 Å²	64.4	36%	0.362	36%	0.356	S	S	.	.			trans	-94.2	135.7	171.3	64.5	0	0	0	0	109.8	Q562 F628 S629	Q562-T588 VanDerWaalsContact OE1-CB 3.28Å; Q562-T588 VanDerWaalsContact OE1-CG2 3.3Å; T588-F628 CarbonylContact O-C 3.59Å; T588-F628 WeakPolarHBondContact O-CA 3.46Å; T588-S629 PolarHBondContact N-OG 3.2Å; T588-S629 PolarHBondContact O-N 2.94Å; T588-S629 WeakPolarHBondContact OG1-CB 2.98Å
589	L	86	Confident	75	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	115.1	173.2	-178.7	71.7	0	0	0	108.6	Q562 R565 I569 E592 F626 F628	Q562-L589 HydrophobicContact CG-CB 4.48Å; Q562-L589 VanDerWaalsContact NE2-N 3.16Å; Q562-L589 PolarHBondContact NE2-O 3.43Å; R565-L589 HydrophobicContact CG-CD2 4.05Å; I569-L589 HydrophobicContact CD1-CD1 4.36Å; I569-L589 HydrophobicContact CD1-CD2 3.7Å; L589-E592 HydrophobicContact CD1-CB 4.5Å; L589-E592 HydrophobicContact CD2-CB 4.47Å; L589-E592 HydrophobicContact CD2-CG 4.29Å; L589-F626 HydrophobicContact CD1-CB 4.34Å; L589-F626 HydrophobicContact CD1-CD1 4.35Å; L589-F628 HydrophobicContact CB-CD1 4.27Å; L589-F628 HydrophobicContact CB-CE1 4.16Å; L589-F628 HydrophobicContact CD1-CD1 4.01Å; L589-F628 HydrophobicContact CD1-CE1 3.57Å; L589-F628 HydrophobicContact CD1-CZ 3.94Å; L589-F628 HydrophobicContact CG-CE1 4.46Å
590	V	86	Confident	75.9	Confident	52 Å²	52	61.9 Å²	61.9	32%	0.315	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-40.9	-178.6	176.7	0	0	0	0	110.8	L627 C792	V590-L627 HydrophobicContact CB-CD2 4.23Å; V590-L627 HydrophobicContact CB-CG 4.11Å; V590-L627 HydrophobicContact CG1-CD2 4Å; V590-L627 HydrophobicContact CG1-CG 4.42Å; V590-L627 PolarHBondContact N-O 2.79Å; V590-C792 WeakPolarHBondContact O-CB 3.49Å
591	K	89.1	Confident	76.7	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.009	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	147.6	176	-163.3	169.7	-178.2	70.1	0	112.1	L627 W756 E791 D793	K591-L627 HydrophobicContact CB-CB 4.2Å; K591-L627 HydrophobicContact CB-CD2 4.15Å; K591-L627 PolarHBondContact N-O 3.27Å; K591-L627 VanDerWaalsContact N-O 3.12Å; K591-L627 WeakPolarHBondContact O-CB 3.16Å; K591-L627 PolarHBondContact O-N 2.81Å; K591-W756 HydrophobicContact CB-CH2 4.33Å; K591-W756 HydrophobicContact CB-CZ3 4.31Å; K591-W756 HydrophobicContact CD-CD2 3.79Å; K591-W756 HydrophobicContact CD-CE3 4.08Å; K591-W756 HydrophobicContact CD-CG 4.13Å; K591-W756 HydrophobicContact CD-CH2 4.47Å; K591-W756 HydrophobicContact CD-CZ2 4.23Å; K591-W756 HydrophobicContact CD-CZ3 4.42Å; K591-W756 HydrophobicContact CG-CD2 4.47Å; K591-W756 HydrophobicContact CG-CH2 4.12Å; K591-W756 HydrophobicContact CG-CZ2 4.07Å; K591-W756 HydrophobicContact CG-CZ3 4.37Å; K591-E791 IonicContact NZ-OE2 3.6Å; K591-E791 PolarHBondContact NZ-OE2 3.34Å; K591-D793 IonicContact NZ-OD1 2.66Å; K591-D793 PolarHBondContact NZ-OD1 3.12Å; K591-D793 IonicContact NZ-OD2 2.77Å; K591-D793 PolarHBondContact NZ-OD2 3.07Å
592	E	91.3	Very high	77	Confident	45 Å²	45	55.3 Å²	55.3	21%	0.21	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	163.3	166.6	58.9	166.4	-126	0	0	110.8	R565 L589 L625 F626	R565-E592 IonicContact CZ-OE1 3.52Å; R565-E592 IonicContact CZ-OE2 2.85Å; R565-E592 VanDerWaalsContact CZ-OE2 3.22Å; R565-E592 IonicContact NE-OE1 3.91Å; R565-E592 IonicContact NE-OE2 2.74Å; R565-E592 PolarHBondContact NE-OE2 2.93Å; R565-E592 IonicContact NH2-OE1 3.64Å; R565-E592 PolarHBondContact NH2-OE1 3.14Å; R565-E592 IonicContact NH2-OE2 2.69Å; R565-E592 PolarHBondContact NH2-OE2 2.87Å; L589-E592 HydrophobicContact CD1-CB 4.5Å; L589-E592 HydrophobicContact CD2-CB 4.47Å; L589-E592 HydrophobicContact CD2-CG 4.29Å; E592-L625 VanDerWaalsContact CA-O 3.29Å; E592-L625 WeakPolarHBondContact CA-O 3.37Å; E592-F626 HydrophobicContact CB-CD1 3.68Å; E592-F626 HydrophobicContact CB-CE1 3.96Å
593	G	90.8	Very high	76.9	Confident	19 Å²	19	58.9 Å²	58.9	20%	0.196	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.8	169.3	167.5	0	0	0	0	0	116	L625	G593-L625 PolarHBondContact N-O 2.82Å; G593-L625 VanDerWaalsContact N-O 3.08Å; G593-L625 PolarHBondContact O-N 2.87Å
594	D	91.2	Very high	76.7	Confident	78 Å²	78	61.7 Å²	61.7	42%	0.417	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	127.5	-177.9	-77.7	-11.1	0	0	0	112.4	I622 T624 K752	D594-I622 HydrophobicContact CB-CG2 3.74Å; D594-T624 VanDerWaalsContact OD1-CB 3.29Å; D594-T624 WeakPolarHBondContact OD1-CB 3.4Å; D594-T624 WeakPolarHBondContact OD1-CG2 3.44Å; D594-T624 PolarHBondContact OD1-OG1 3.08Å; D594-K752 WeakPolarHBondContact O-CE 3.35Å; D594-K752 PolarHBondContact O-NZ 3.4Å
595	L	90.5	Very high	76.1	Confident	4 Å²	4	64.1 Å²	64.1	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.8	173.7	-67.7	-175.8	0	0	0	111.8	L597 I622 A623 L625 F729 F745 T747 W756	L595-L597 PolarHBondContact O-N 3.15Å; L595-I622 WeakPolarHBondContact O-CA 3.33Å; L595-A623 PolarHBondContact N-O 2.97Å; L595-A623 PolarHBondContact O-N 3.05Å; L595-L625 HydrophobicContact CB-CD1 4.33Å; L595-L625 HydrophobicContact CD1-CD1 4.21Å; L595-L625 HydrophobicContact CD1-CD2 3.78Å; L595-L625 HydrophobicContact CG-CD1 4.47Å; L595-F729 HydrophobicContact CD1-CE1 4.05Å; L595-F729 HydrophobicContact CD1-CZ 3.67Å; L595-F745 HydrophobicContact CB-CD1 3.67Å; L595-F745 HydrophobicContact CB-CE1 4.18Å; L595-F745 HydrophobicContact CB-CG 4.38Å; L595-F745 HydrophobicContact CD1-CB 4.18Å; L595-F745 HydrophobicContact CD1-CD1 3.92Å; L595-F745 HydrophobicContact CD1-CD2 4.41Å; L595-F745 HydrophobicContact CD1-CE1 4.42Å; L595-F745 HydrophobicContact CD1-CG 3.91Å; L595-F745 HydrophobicContact CG-CD1 4.47Å; L595-T747 HydrophobicContact CD2-CG2 3.48Å; L595-T747 VanDerWaalsContact CD2-CG2 3.48Å; L595-W756 HydrophobicContact CD1-CD2 4.21Å; L595-W756 HydrophobicContact CD1-CG 4.3Å
596	R	88.9	Confident	75.6	Confident	129 Å²	129	59.7 Å²	59.7	49%	0.487	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	106.9	174.5	-174.8	179	-176.7	-166.8	9.7	109.8	L598 A620 T621 F745 Q746	R596-L598 HydrophobicContact CG-CD2 4.3Å; R596-A620 HydrophobicContact CG-CB 4.03Å; R596-T621 CarbonylContact C-O 3.6Å; R596-F745 CarbonylContact O-C 3.59Å; R596-F745 WeakPolarHBondContact O-CA 3.44Å; R596-Q746 HydrophobicContact CB-CB 4.3Å; R596-Q746 PolarHBondContact N-O 3.43Å; R596-Q746 PolarHBondContact O-N 3.46Å
597	L	87.6	Confident	74.5	Confident	7 Å²	7	57.3 Å²	57.3	4%	0.037	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	117.4	173.4	177.7	59	0	0	0	109.9	L595 T599 A620 T621 A623 Y743 F745	L595-L597 PolarHBondContact O-N 3.15Å; L597-T599 VanDerWaalsContact CD1-O 3.31Å; L597-T599 WeakPolarHBondContact CD1-O 3.18Å; L597-A620 CarbonylContact O-C 3.59Å; L597-A620 VanDerWaalsContact O-CA 3.3Å; L597-A620 WeakPolarHBondContact O-CA 3.49Å; L597-T621 PolarHBondContact N-O 3.1Å; L597-T621 PolarHBondContact O-N 2.64Å; L597-A623 HydrophobicContact CB-CB 4.49Å; L597-Y743 HydrophobicContact CD1-CD1 3.8Å; L597-Y743 HydrophobicContact CD1-CG 4.48Å; L597-Y743 HydrophobicContact CD2-CD1 4.06Å; L597-Y743 HydrophobicContact CD2-CE1 4.38Å; L597-F745 HydrophobicContact CB-CD1 4.26Å; L597-F745 HydrophobicContact CB-CE1 4.03Å; L597-F745 HydrophobicContact CD1-CD1 4.32Å; L597-F745 HydrophobicContact CD1-CE1 4.02Å; L597-F745 HydrophobicContact CD1-CZ 4.38Å
598	L	81.1	Confident	72.8	Confident	47 Å²	47	64.3 Å²	64.3	25%	0.246	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-50.4	178.4	-60.3	-178.4	0	0	0	111.8	R596 S618 A620 V744 Q746	R596-L598 HydrophobicContact CG-CD2 4.3Å; L598-S618 PolarHBondContact O-OG 3.03Å; L598-S618 VanDerWaalsContact O-OG 3.1Å; L598-A620 HydrophobicContact CD2-CB 3.93Å; L598-V744 HydrophobicContact CB-CB 4.45Å; L598-V744 HydrophobicContact CB-CG1 4.45Å; L598-V744 HydrophobicContact CD1-CG1 4.23Å; L598-V744 PolarHBondContact N-O 3.17Å; L598-Q746 HydrophobicContact CD1-CB 4.04Å; L598-Q746 HydrophobicContact CD2-CB 4.27Å; L598-Q746 HydrophobicContact CG-CB 4.06Å
599	T	77.8	Confident	70.8	Confident	57 Å²	57	68.8 Å²	68.8	35%	0.35	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	142.3	-171.5	-50.5	0	0	0	0	110	L597 T601 V744	L597-T599 VanDerWaalsContact CD1-O 3.31Å; L597-T599 WeakPolarHBondContact CD1-O 3.18Å; T599-T601 HydrophobicContact CG2-CG2 4.1Å; T599-V744 PolarHBondContact O-N 3.26Å
600	M	75.5	Confident	68.8	Low	91 Å²	91	78 Å²	78	45%	0.448	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.4	168.9	-179.3	-168.6	88.7	0	0	107.5	N602 V741 Q742 Y743	M600-N602 WeakPolarHBondContact CE-OD1 3.2Å; M600-V741 HydrophobicContact CG-CG1 3.88Å; M600-Q742 WeakPolarHBondContact CA-O 3.47Å; M600-Y743 HydrophobicContact CB-CD1 4.26Å; M600-Y743 HydrophobicContact CB-CE1 4.23Å; M600-Y743 HydrophobicContact CG-CD1 4Å; M600-Y743 HydrophobicContact CG-CE1 3.58Å; M600-Y743 HydrophobicContact SD-CE1 3.76Å
601	T	72.8	Confident	66.4	Low	62 Å²	62	86 Å²	86	38%	0.38	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119.1	178.1	40.7	0	0	0	0	111.3	T599 Q742	T599-T601 HydrophobicContact CG2-CG2 4.1Å; T601-Q742 PolarHBondContact N-O 2.9Å; T601-Q742 PolarHBondContact O-N 3.47Å
602	N	65.1	Low	63.9	Low	88 Å²	88	94.7 Å²	94.7	47%	0.471	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.1	175.9	-59.7	26.4	0	0	0	107.9	M600 V741	M600-N602 WeakPolarHBondContact CE-OD1 3.2Å; N602-V741 HydrophobicContact CB-CG2 4.49Å
603	V	58.1	Low	61.4	Low	90 Å²	90	96.8 Å²	96.8	55%	0.545	50%	0.502	S	S	.	.	S	Bend	trans	-80.1	-23.2	-171.8	-176	0	0	0	0	112.3	R740	V603-R740 HydrophobicContact CB-CB 4.37Å; V603-R740 HydrophobicContact CG2-CB 4.34Å; V603-R740 HydrophobicContact CG2-CG 4.2Å; V603-R740 PolarHBondContact N-O 3.42Å
604	Q	49.7	Very low	58.8	Low	136 Å²	136	100.9 Å²	100.9	64%	0.636	53%	0.527	S	S	*	.	S	Bend	trans	-116.8	91	-172.7	-64.5	173	-1.7	0	0	110.8
605	G	42.6	Very low	56.2	Low	67 Å²	67	104 Å²	104	69%	0.691	54%	0.543	S	S	*	.	S	Bend	trans	180	100.6	178.8	0	0	0	0	0	114.9
606	S	42.3	Very low	53.9	Low	67 Å²	67	114.8 Å²	114.8	47%	0.469	58%	0.583	S	S	.	*			trans	48.3	109	168.6	-170.7	0	0	0	0	118.3	F608	S606-F608 PolarHBondContact O-N 3.28Å; S606-F608 PolarHBondContact OG-N 3.46Å
607	G	40.2	Very low	51.8	Low	58 Å²	58	118.6 Å²	118.6	60%	0.598	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	-6.9	168	0	0	0	0	0	115.3
608	F	40.5	Very low	50.3	Low	189 Å²	189	122 Å²	122	83%	0.829	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-22.7	-174.5	-112.9	-102.6	0	0	0	114.9	S606	S606-F608 PolarHBondContact O-N 3.28Å; S606-F608 PolarHBondContact OG-N 3.46Å
609	H	39.8	Very low	49.3	Very low	154 Å²	154	128.8 Å²	128.8	71%	0.713	66%	0.655	S	S	*	*	S	Bend	trans	-91.7	-3.7	-175.6	-70.6	-64.1	0	0	0	115.4	R611	H609-R611 PolarHBondContact O-N 3.36Å
610	R	44.8	Very low	49	Very low	195 Å²	195	127.6 Å²	127.6	74%	0.736	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	3.1	-175.6	-79.1	-164.4	-76.7	-119.2	4.7	116.4
611	R	35.5	Very low	49.4	Very low	221 Å²	221	126.1 Å²	126.1	83%	0.834	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-2.9	-176	-61.7	-168.6	-172.4	-178.9	4.4	116.1	H609	H609-R611 PolarHBondContact O-N 3.36Å
612	F	36.6	Very low	50.1	Low	184 Å²	184	128.4 Å²	128.4	81%	0.807	66%	0.656	S	S	*	*	S	Bend	trans	-132	0.6	-177.7	-71.7	-71.4	0	0	0	116.2
613	S	37.2	Very low	51.3	Low	89 Å²	89	124.2 Å²	124.2	62%	0.622	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-83.8	-12.6	-177.7	54.7	0	0	0	0	115.2	I615	S613-I615 PolarHBondContact O-N 3.08Å
614	S	36.2	Very low	52.9	Low	106 Å²	106	120.8 Å²	120.8	74%	0.741	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-72.4	-7.4	-175.2	49.9	0	0	0	0	115.5
615	I	38.4	Very low	54.9	Low	144 Å²	144	114.3 Å²	114.3	74%	0.738	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-107.3	-5.8	-167.2	-70.3	172.6	0	0	0	113.5	S613	S613-I615 PolarHBondContact O-N 3.08Å
616	R	41.7	Very low	57.2	Low	229 Å²	229	111.2 Å²	111.2	86%	0.864	55%	0.55	S	S	*	.	S	Bend	trans	-127.1	106.9	170.8	-70.1	-174.3	-178.7	177.2	2.3	111	S618	R616-S618 PolarHBondContact O-N 2.85Å
617	K	45	Very low	59.5	Low	210 Å²	210	108 Å²	108	91%	0.913	53%	0.528	S	S	*	.			trans	-52.3	125.5	163.6	-68.4	-178.4	176.9	-177.3	0	108.3	K619	K617-K619 PolarHBondContact O-N 2.83Å
618	S	54.8	Low	61.8	Low	77 Å²	77	105.3 Å²	105.3	54%	0.538	50%	0.5	S	S	.	.			trans	-59.8	110.9	174.5	42.7	0	0	0	0	108.7	L598 R616 A620	L598-S618 PolarHBondContact O-OG 3.03Å; L598-S618 VanDerWaalsContact O-OG 3.1Å; R616-S618 PolarHBondContact O-N 2.85Å; S618-A620 PolarHBondContact O-N 2.9Å; S618-A620 VanDerWaalsContact O-N 3.08Å
619	K	61.5	Low	63.9	Low	190 Å²	190	99.3 Å²	99.3	83%	0.826	48%	0.481	S	S	*	.			trans	-62.8	116.3	174.9	-177.7	-176.8	178.1	-175.9	0	106.9	K617 T621	K617-K619 PolarHBondContact O-N 2.83Å; K619-T621 WeakPolarHBondContact O-CG2 3.37Å; K619-T621 PolarHBondContact O-N 2.91Å
620	A	70.9	Confident	66	Low	33 Å²	33	95 Å²	95	27%	0.273	46%	0.463	S	S	.	.			trans	-49.4	127.7	-178.6	0	0	0	0	0	110.6	R596 L597 L598 S618	R596-A620 HydrophobicContact CG-CB 4.03Å; L597-A620 CarbonylContact O-C 3.59Å; L597-A620 VanDerWaalsContact O-CA 3.3Å; L597-A620 WeakPolarHBondContact O-CA 3.49Å; L598-A620 HydrophobicContact CD2-CB 3.93Å; S618-A620 PolarHBondContact O-N 2.9Å; S618-A620 VanDerWaalsContact O-N 3.08Å
621	T	83.7	Confident	68	Low	60 Å²	60	88.2 Å²	88.2	37%	0.368	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	157.5	-176.9	50.9	0	0	0	0	110	R596 L597 K619	R596-T621 CarbonylContact C-O 3.6Å; L597-T621 PolarHBondContact N-O 3.1Å; L597-T621 PolarHBondContact O-N 2.64Å; K619-T621 WeakPolarHBondContact O-CG2 3.37Å; K619-T621 PolarHBondContact O-N 2.91Å
622	I	87	Confident	70.6	Confident	110 Å²	110	77.7 Å²	77.7	56%	0.564	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	130.3	167.1	-58.8	173.5	0	0	0	106.9	D594 L595	D594-I622 HydrophobicContact CB-CG2 3.74Å; L595-I622 WeakPolarHBondContact O-CA 3.33Å
623	A	90.2	Very high	73.1	Confident	0 Å²	0	69 Å²	69	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.3	170.7	0	0	0	0	0	108.5	L595 L597 L625 I634 T635 F745	L595-A623 PolarHBondContact N-O 2.97Å; L595-A623 PolarHBondContact O-N 3.05Å; L597-A623 HydrophobicContact CB-CB 4.49Å; A623-L625 HydrophobicContact CB-CD1 4.02Å; A623-I634 HydrophobicContact CB-CG2 4.14Å; A623-T635 CarbonylContact C-O 3.5Å; A623-T635 VanDerWaalsContact CA-O 3.32Å; A623-T635 WeakPolarHBondContact CA-O 3.48Å; A623-F745 HydrophobicContact CB-CE1 4.34Å
624	T	92.2	Very high	75.6	Confident	17 Å²	17	64.8 Å²	64.8	10%	0.104	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.6	175.2	-46.8	0	0	0	0	107.4	D594 F626 T635 L643	D594-T624 VanDerWaalsContact OD1-CB 3.29Å; D594-T624 WeakPolarHBondContact OD1-CB 3.4Å; D594-T624 WeakPolarHBondContact OD1-CG2 3.44Å; D594-T624 PolarHBondContact OD1-OG1 3.08Å; T624-F626 HydrophobicContact CG2-CE2 3.92Å; T624-F626 HydrophobicContact CG2-CZ 3.85Å; T624-T635 WeakPolarHBondContact CB-OG1 3.33Å; T624-T635 PolarHBondContact N-O 3.03Å; T624-T635 PolarHBondContact O-N 3.3Å; T624-T635 PolarHBondContact O-OG1 3.09Å; T624-L643 HydrophobicContact CG2-CD1 4.38Å
625	L	92.4	Very high	78.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	145.9	-179.9	-81.7	67.3	0	0	0	110.2	E592 G593 L595 A623 L632 L633 I634 F745 W756	E592-L625 VanDerWaalsContact CA-O 3.29Å; E592-L625 WeakPolarHBondContact CA-O 3.37Å; G593-L625 PolarHBondContact N-O 2.82Å; G593-L625 VanDerWaalsContact N-O 3.08Å; G593-L625 PolarHBondContact O-N 2.87Å; L595-L625 HydrophobicContact CB-CD1 4.33Å; L595-L625 HydrophobicContact CD1-CD1 4.21Å; L595-L625 HydrophobicContact CD1-CD2 3.78Å; L595-L625 HydrophobicContact CG-CD1 4.47Å; A623-L625 HydrophobicContact CB-CD1 4.02Å; L625-L632 HydrophobicContact CB-CD1 4.38Å; L625-L632 HydrophobicContact CD2-CD1 4.26Å; L625-L632 HydrophobicContact CG-CD1 4.49Å; L625-L633 WeakPolarHBondContact CA-O 3.21Å; L625-I634 HydrophobicContact CG-CG1 4.28Å; L625-F745 HydrophobicContact CD1-CE1 3.88Å; L625-F745 HydrophobicContact CD1-CZ 3.93Å; L625-F745 HydrophobicContact CD2-CE2 4.22Å; L625-F745 HydrophobicContact CD2-CZ 4.07Å; L625-W756 HydrophobicContact CB-CH2 3.38Å; L625-W756 HydrophobicContact CB-CZ2 4.02Å; L625-W756 HydrophobicContact CB-CZ3 3.81Å; L625-W756 HydrophobicContact CD2-CE3 4.44Å; L625-W756 HydrophobicContact CD2-CH2 4.41Å; L625-W756 HydrophobicContact CD2-CZ3 4.13Å
626	F	91	Very high	80.5	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	111.5	170	-59.6	-87.1	0	0	0	109	I569 L573 L589 E592 T624 F628 L633 T635 L643	I569-F626 HydrophobicContact CD1-CD1 3.82Å; I569-F626 HydrophobicContact CD1-CE1 3.86Å; I569-F626 HydrophobicContact CG1-CD1 4.27Å; I569-F626 HydrophobicContact CG1-CE1 3.86Å; I569-F626 HydrophobicContact CG2-CD1 4.17Å; I569-F626 HydrophobicContact CG2-CE1 4.08Å; I569-F626 HydrophobicContact CG2-CZ 4.35Å; L573-F626 HydrophobicContact CD2-CE2 4.39Å; L589-F626 HydrophobicContact CD1-CB 4.34Å; L589-F626 HydrophobicContact CD1-CD1 4.35Å; E592-F626 HydrophobicContact CB-CD1 3.68Å; E592-F626 HydrophobicContact CB-CE1 3.96Å; T624-F626 HydrophobicContact CG2-CE2 3.92Å; T624-F626 HydrophobicContact CG2-CZ 3.85Å; F626-F628 HydrophobicContact CB-CE2 3.65Å; F626-F628 HydrophobicContact CB-CZ 3.87Å; F626-L633 HydrophobicContact CB-CB 4.27Å; F626-L633 HydrophobicContact CB-CD1 4.22Å; F626-L633 HydrophobicContact CB-CG 4.41Å; F626-L633 HydrophobicContact CD2-CD1 4.44Å; F626-L633 PolarHBondContact N-O 3.24Å; F626-L633 VanDerWaalsContact N-O 3.12Å; F626-L633 PolarHBondContact O-N 3.09Å; F626-T635 HydrophobicContact CD2-CG2 4Å; F626-T635 HydrophobicContact CE2-CG2 4.04Å; F626-L643 HydrophobicContact CE2-CD1 3.62Å; F626-L643 HydrophobicContact CZ-CD1 3.55Å
627	L	90.9	Very high	82.6	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	117.8	178	174.9	65.7	0	0	0	109.2	V590 K591 L632 L651 W756 G759 L760	V590-L627 HydrophobicContact CB-CD2 4.23Å; V590-L627 HydrophobicContact CB-CG 4.11Å; V590-L627 HydrophobicContact CG1-CD2 4Å; V590-L627 HydrophobicContact CG1-CG 4.42Å; V590-L627 PolarHBondContact N-O 2.79Å; K591-L627 HydrophobicContact CB-CB 4.2Å; K591-L627 HydrophobicContact CB-CD2 4.15Å; K591-L627 PolarHBondContact N-O 3.27Å; K591-L627 VanDerWaalsContact N-O 3.12Å; K591-L627 WeakPolarHBondContact O-CB 3.16Å; K591-L627 PolarHBondContact O-N 2.81Å; L627-L632 HydrophobicContact CB-CD1 4.05Å; L627-L632 HydrophobicContact CD1-CD1 4.26Å; L627-L651 HydrophobicContact CD1-CD1 3.87Å; L627-L651 HydrophobicContact CD1-CD2 3.62Å; L627-L651 HydrophobicContact CD1-CG 4.21Å; L627-W756 HydrophobicContact CB-CZ3 3.98Å; L627-G759 VanDerWaalsContact CD2-C 3.48Å; L627-L760 HydrophobicContact CD1-CD2 3.92Å; L627-L760 HydrophobicContact CD2-CD2 4.41Å; L627-L760 HydrophobicContact CD2-CG 4.48Å
628	F	88.3	Confident	84.4	Confident	1 Å²	1	49 Å²	49	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	167.9	173.1	-58	-79.9	0	0	0	110.5	L566 R587 T588 L589 F626 D630 Y631 L633 L651	L566-F628 HydrophobicContact CD1-CD1 4.35Å; L566-F628 HydrophobicContact CD1-CE1 3.49Å; L566-F628 VanDerWaalsContact CD1-CE1 3.49Å; L566-F628 HydrophobicContact CD1-CZ 4.18Å; R587-F628 HydrophobicContact CB-CB 4.46Å; R587-F628 HydrophobicContact CB-CD1 4.21Å; T588-F628 CarbonylContact O-C 3.59Å; T588-F628 WeakPolarHBondContact O-CA 3.46Å; L589-F628 HydrophobicContact CB-CD1 4.27Å; L589-F628 HydrophobicContact CB-CE1 4.16Å; L589-F628 HydrophobicContact CD1-CD1 4.01Å; L589-F628 HydrophobicContact CD1-CE1 3.57Å; L589-F628 HydrophobicContact CD1-CZ 3.94Å; L589-F628 HydrophobicContact CG-CE1 4.46Å; F626-F628 HydrophobicContact CB-CE2 3.65Å; F626-F628 HydrophobicContact CB-CZ 3.87Å; F628-D630 PolarHBondContact O-N 3.06Å; F628-Y631 PolarHBondContact N-O 2.05Å; F628-Y631 PolarHBondContact O-N 2.8Å; F628-L633 HydrophobicContact CE2-CD1 3.78Å; F628-L633 HydrophobicContact CE2-CG 3.91Å; F628-L633 HydrophobicContact CZ-CD1 4.46Å; F628-L651 WeakPolarHBondContact O-CD1 3.36Å
629	S	84.1	Confident	85.6	Confident	63 Å²	63	47.6 Å²	47.6	44%	0.441	24%	0.235	S	C	.	.	S	Bend	trans	-51.1	-28.2	175.6	46.7	0	0	0	0	115.3	T588	T588-S629 PolarHBondContact N-OG 3.2Å; T588-S629 PolarHBondContact O-N 2.94Å; T588-S629 WeakPolarHBondContact OG1-CB 2.98Å
630	D	84.3	Confident	86.2	Confident	62 Å²	62	45.4 Å²	45.4	33%	0.332	23%	0.232	S	C	.	.	S	Bend	trans	-120.3	-10.6	-174.3	70.5	-40.5	0	0	0	114	R587 F628 L651	R587-D630 IonicContact CZ-OD1 2.66Å; R587-D630 IonicContact CZ-OD2 2.66Å; R587-D630 IonicContact NE-OD1 2.83Å; R587-D630 IonicContact NE-OD2 3.21Å; R587-D630 IonicContact NH1-OD1 3.69Å; R587-D630 PolarHBondContact NH1-OD1 3.43Å; R587-D630 IonicContact NH1-OD2 3.36Å; R587-D630 PolarHBondContact NH1-OD2 2.81Å; R587-D630 IonicContact NH2-OD2 2.74Å; F628-D630 PolarHBondContact O-N 3.06Å; D630-L651 PolarHBondContact O-N 3.41Å
631	Y	86.6	Confident	86.6	Confident	53 Å²	53	48.4 Å²	48.4	21%	0.208	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	153.5	-154.9	-144.1	-111.5	0	0	0	113.3	L582 R587 F628 L633 C649	L582-Y631 HydrophobicContact CD2-CD1 3.89Å; L582-Y631 HydrophobicContact CD2-CE1 3.67Å; R587-Y631 VanDerWaalsContact NH1-CG 3.28Å; F628-Y631 PolarHBondContact N-O 2.05Å; F628-Y631 PolarHBondContact O-N 2.8Å; Y631-L633 HydrophobicContact CD1-CD2 3.85Å; Y631-L633 HydrophobicContact CE1-CD2 3.91Å; Y631-C649 WeakPolarHBondContact CA-O 3.29Å; Y631-C649 WeakPolarHBondContact CD2-O 3.44Å
632	L	89.2	Confident	86.8	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.8	175.6	180	66.3	0	0	0	110.7	L625 L627 S648 C649 I654 L731 M733 L760	L625-L632 HydrophobicContact CB-CD1 4.38Å; L625-L632 HydrophobicContact CD2-CD1 4.26Å; L625-L632 HydrophobicContact CG-CD1 4.49Å; L627-L632 HydrophobicContact CB-CD1 4.05Å; L627-L632 HydrophobicContact CD1-CD1 4.26Å; L632-S648 WeakPolarHBondContact O-CA 3.36Å; L632-C649 PolarHBondContact N-O 2.96Å; L632-C649 PolarHBondContact O-N 2.74Å; L632-I654 HydrophobicContact CB-CD1 3.67Å; L632-I654 HydrophobicContact CD2-CD1 3.78Å; L632-I654 HydrophobicContact CG-CD1 4.39Å; L632-L731 HydrophobicContact CD2-CD1 4.3Å; L632-L731 HydrophobicContact CD2-CD2 3.56Å; L632-M733 HydrophobicContact CD2-CE 3.85Å; L632-M733 HydrophobicContact CG-CE 4.3Å; L632-L760 HydrophobicContact CD1-CD2 4.09Å; L632-L760 HydrophobicContact CD2-CD2 3.69Å; L632-L760 HydrophobicContact CG-CD2 4.42Å
633	L	89.1	Confident	86.8	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.3	167.8	-48.5	179.5	0	0	0	110.8	L573 L582 L625 F626 F628 Y631 T635	L573-L633 HydrophobicContact CD1-CD1 3.81Å; L582-L633 HydrophobicContact CD1-CD1 3.38Å; L582-L633 HydrophobicContact CD1-CD2 3.57Å; L582-L633 HydrophobicContact CD1-CG 4Å; L582-L633 HydrophobicContact CD2-CD2 4.2Å; L582-L633 HydrophobicContact CG-CD2 4.44Å; L625-L633 WeakPolarHBondContact CA-O 3.21Å; F626-L633 HydrophobicContact CB-CB 4.27Å; F626-L633 HydrophobicContact CB-CD1 4.22Å; F626-L633 HydrophobicContact CB-CG 4.41Å; F626-L633 HydrophobicContact CD2-CD1 4.44Å; F626-L633 PolarHBondContact N-O 3.24Å; F626-L633 VanDerWaalsContact N-O 3.12Å; F626-L633 PolarHBondContact O-N 3.09Å; F628-L633 HydrophobicContact CE2-CD1 3.78Å; F628-L633 HydrophobicContact CE2-CG 3.91Å; F628-L633 HydrophobicContact CZ-CD1 4.46Å; Y631-L633 HydrophobicContact CD1-CD2 3.85Å; Y631-L633 HydrophobicContact CE1-CD2 3.91Å; L633-T635 HydrophobicContact CB-CG2 4.2Å
634	I	90.2	Very high	86.7	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.1	164.4	-60	173.9	0	0	0	107	A623 L625 E646 D647 L731 M733 Y743 F745	A623-I634 HydrophobicContact CB-CG2 4.14Å; L625-I634 HydrophobicContact CG-CG1 4.28Å; I634-E646 PolarHBondContact O-N 2.85Å; I634-D647 HydrophobicContact CB-CB 4.37Å; I634-D647 PolarHBondContact N-O 2.97Å; I634-D647 PolarHBondContact O-N 3.35Å; I634-D647 VanDerWaalsContact O-N 3.17Å; I634-L731 HydrophobicContact CD1-CD2 4.1Å; I634-M733 HydrophobicContact CD1-CE 3.6Å; I634-M733 HydrophobicContact CD1-SD 4.24Å; I634-M733 HydrophobicContact CG1-CE 4.06Å; I634-Y743 HydrophobicContact CD1-CD1 4.03Å; I634-Y743 HydrophobicContact CD1-CD2 3.62Å; I634-Y743 HydrophobicContact CD1-CE1 3.9Å; I634-Y743 HydrophobicContact CD1-CE2 3.45Å; I634-Y743 VanDerWaalsContact CD1-CE2 3.45Å; I634-Y743 HydrophobicContact CD1-CG 3.91Å; I634-F745 HydrophobicContact CD1-CZ 4.27Å
635	T	89.9	Confident	86.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.6	-179.2	75.9	0	0	0	0	111.4	L573 A623 T624 F626 L633 L644 V645	L573-T635 HydrophobicContact CD2-CG2 3.86Å; A623-T635 CarbonylContact C-O 3.5Å; A623-T635 VanDerWaalsContact CA-O 3.32Å; A623-T635 WeakPolarHBondContact CA-O 3.48Å; T624-T635 WeakPolarHBondContact CB-OG1 3.33Å; T624-T635 PolarHBondContact N-O 3.03Å; T624-T635 PolarHBondContact O-N 3.3Å; T624-T635 PolarHBondContact O-OG1 3.09Å; F626-T635 HydrophobicContact CD2-CG2 4Å; F626-T635 HydrophobicContact CE2-CG2 4.04Å; L633-T635 HydrophobicContact CB-CG2 4.2Å; T635-L644 CarbonylContact C-O 3.6Å; T635-L644 VanDerWaalsContact CA-O 3.22Å; T635-L644 WeakPolarHBondContact CA-O 3.2Å; T635-L644 WeakPolarHBondContact CB-O 3.35Å; T635-V645 HydrophobicContact CG2-CG2 4.27Å
636	K	88.2	Confident	86	Confident	59 Å²	59	47.5 Å²	47.5	26%	0.257	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.6	169.4	-73.2	177.2	-151.8	153.9	0	110.2	R638 L644 E646	K636-R638 PolarHBondContact O-N 3.08Å; K636-L644 PolarHBondContact N-O 3.24Å; K636-L644 PolarHBondContact O-N 3.41Å; K636-E646 HydrophobicContact CB-CG 4.08Å; K636-E646 HydrophobicContact CD-CG 3.83Å; K636-E646 VanDerWaalsContact CD-OE1 3.29Å; K636-E646 WeakPolarHBondContact CD-OE1 3.22Å; K636-E646 VanDerWaalsContact CE-OE1 3.28Å; K636-E646 WeakPolarHBondContact CE-OE1 3.32Å; K636-E646 HydrophobicContact CG-CG 3.88Å; K636-E646 IonicContact NZ-OE1 3.91Å; K636-E646 PolarHBondContact NZ-OE1 3.47Å
637	K	85.8	Confident	85.7	Confident	126 Å²	126	48.9 Å²	48.9	55%	0.548	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	116.3	-179.5	-172.5	170.7	179.3	175.4	0	111.2	S639 N640 L643	K637-S639 WeakPolarHBondContact CE-O 3.32Å; K637-S639 WeakPolarHBondContact CG-O 3.38Å; K637-N640 VanDerWaalsContact CE-OD1 3.28Å; K637-N640 WeakPolarHBondContact CE-OD1 3.28Å; K637-N640 PolarHBondContact NZ-OD1 2.89Å; K637-L643 HydrophobicContact CB-CD2 4.09Å; K637-L643 HydrophobicContact CG-CD2 4.21Å
638	R	82.6	Confident	85.5	Confident	174 Å²	174	50.3 Å²	50.3	66%	0.657	25%	0.248	S	C	*	.	S	Bend	trans	-91.9	-44.3	176.7	-174.2	-176.4	-178.9	160.8	-0.8	111.6	E574 K636 H642 L644	E574-R638 IonicContact OE1-NH1 3.55Å; E574-R638 WeakPolarHBondContact OE2-CD 3.17Å; E574-R638 IonicContact OE2-CZ 2.95Å; E574-R638 IonicContact OE2-NE 2.74Å; E574-R638 IonicContact OE2-NH1 2.96Å; E574-R638 PolarHBondContact OE2-NH1 2.65Å; K636-R638 PolarHBondContact O-N 3.08Å; R638-H642 PolarHBondContact N-O 2.93Å; R638-L644 HydrophobicContact CB-CB 4.5Å
639	S	79.4	Confident	85.3	Confident	47 Å²	47	50.4 Å²	50.4	33%	0.329	25%	0.249	S	C	.	.	S	Bend	trans	-136	-172.1	174.2	81.4	0	0	0	0	110	K637 Q641 H642	K637-S639 WeakPolarHBondContact CE-O 3.32Å; K637-S639 WeakPolarHBondContact CG-O 3.38Å; S639-Q641 VanDerWaalsContact C-N 3.25Å; S639-Q641 PolarHBondContact O-N 3.29Å; S639-Q641 PolarHBondContact OG-N 3.11Å; S639-Q641 VanDerWaalsContact OG-N 3.15Å; S639-H642 PolarHBondContact N-O 2.65Å; S639-H642 VanDerWaalsContact N-O 3.1Å; S639-H642 PolarHBondContact OG-N 3Å
640	N	74.8	Confident	85.4	Confident	143 Å²	143	49 Å²	49	77%	0.765	24%	0.238	S	C	*	.	S	Bend	trans	-70.5	-21.7	171.7	-83.2	-24	0	0	0	113.6	K637	K637-N640 VanDerWaalsContact CE-OD1 3.28Å; K637-N640 WeakPolarHBondContact CE-OD1 3.28Å; K637-N640 PolarHBondContact NZ-OD1 2.89Å
641	Q	79.5	Confident	85.5	Confident	97 Å²	97	48.3 Å²	48.3	45%	0.453	23%	0.234	S	C	.	.	S	Bend	trans	-102.8	-40	179.2	-72.1	164	-35.9	0	0	111.9	G220 R572 S639	G220-Q641 PolarHBondContact O-NE2 3.37Å; G220-Q641 VanDerWaalsContact O-NE2 3.12Å; R572-Q641 WeakPolarHBondContact CB-O 3.27Å; R572-Q641 WeakPolarHBondContact CG-O 3.47Å; S639-Q641 VanDerWaalsContact C-N 3.25Å; S639-Q641 PolarHBondContact O-N 3.29Å; S639-Q641 PolarHBondContact OG-N 3.11Å; S639-Q641 VanDerWaalsContact OG-N 3.15Å
642	H	86.7	Confident	85.4	Confident	52 Å²	52	49.5 Å²	49.5	24%	0.241	25%	0.251	C	S	.	.			trans	-102.4	139.5	-170.5	-65.5	-65.6	0	0	0	114.9	R572 E574 R638 S639	R572-H642 WeakPolarHBondContact O-CA 3.49Å; E574-H642 HydrophobicContact CG-CB 4.12Å; E574-H642 VanDerWaalsContact OE1-CB 3.28Å; E574-H642 WeakPolarHBondContact OE1-CB 3.49Å; E574-H642 IonicContact OE1-CD2 3.74Å; E574-H642 IonicContact OE1-CG 3.46Å; R638-H642 PolarHBondContact N-O 2.93Å; S639-H642 PolarHBondContact N-O 2.65Å; S639-H642 VanDerWaalsContact N-O 3.1Å; S639-H642 PolarHBondContact OG-N 3Å
643	L	87.3	Confident	85.2	Confident	7 Å²	7	54 Å²	54	4%	0.037	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121.5	178.2	-58.2	-179.6	0	0	0	109.2	R572 L573 E574 T624 F626 K637	R572-L643 PolarHBondContact O-N 2.71Å; L573-L643 HydrophobicContact CD2-CB 4.33Å; E574-L643 PolarHBondContact N-O 2.86Å; T624-L643 HydrophobicContact CG2-CD1 4.38Å; F626-L643 HydrophobicContact CE2-CD1 3.62Å; F626-L643 HydrophobicContact CZ-CD1 3.55Å; K637-L643 HydrophobicContact CB-CD2 4.09Å; K637-L643 HydrophobicContact CG-CD2 4.21Å
644	L	88	Confident	85.1	Confident	45 Å²	45	54.6 Å²	54.6	24%	0.236	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123.2	175	-179.9	64.9	0	0	0	109.3	E574 K576 T635 K636 R638 E646	E574-L644 HydrophobicContact CB-CD1 4.37Å; K576-L644 HydrophobicContact CG-CD1 4.18Å; T635-L644 CarbonylContact C-O 3.6Å; T635-L644 VanDerWaalsContact CA-O 3.22Å; T635-L644 WeakPolarHBondContact CA-O 3.2Å; T635-L644 WeakPolarHBondContact CB-O 3.35Å; K636-L644 PolarHBondContact N-O 3.24Å; K636-L644 PolarHBondContact O-N 3.41Å; R638-L644 HydrophobicContact CB-CB 4.5Å; L644-E646 PolarHBondContact O-N 2.93Å
645	V	86.3	Confident	84.9	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.03	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	117.8	169	-178.5	0	0	0	0	108.4	L573 E574 Y575 K576 T635	L573-V645 HydrophobicContact CB-CG2 4.46Å; L573-V645 HydrophobicContact CD2-CG2 3.98Å; E574-V645 PolarHBondContact O-N 2.91Å; Y575-V645 HydrophobicContact CD1-CB 4.33Å; Y575-V645 HydrophobicContact CD1-CG2 3.98Å; Y575-V645 HydrophobicContact CE1-CG2 3.99Å; K576-V645 WeakPolarHBondContact CE-O 3.46Å; T635-V645 HydrophobicContact CG2-CG2 4.27Å
646	E	84.3	Confident	84.8	Confident	59 Å²	59	60.9 Å²	60.9	28%	0.276	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-44.2	179.4	-81.8	-84.7	-141.8	0	0	111.3	K576 I634 K636 L644	K576-E646 VanDerWaalsContact CE-OE2 3.27Å; K576-E646 WeakPolarHBondContact CE-OE2 3.48Å; K576-E646 PolarHBondContact NZ-O 2.82Å; K576-E646 IonicContact NZ-OE2 3.23Å; K576-E646 PolarHBondContact NZ-OE2 3.24Å; I634-E646 PolarHBondContact O-N 2.85Å; K636-E646 HydrophobicContact CB-CG 4.08Å; K636-E646 HydrophobicContact CD-CG 3.83Å; K636-E646 VanDerWaalsContact CD-OE1 3.29Å; K636-E646 WeakPolarHBondContact CD-OE1 3.22Å; K636-E646 VanDerWaalsContact CE-OE1 3.28Å; K636-E646 WeakPolarHBondContact CE-OE1 3.32Å; K636-E646 HydrophobicContact CG-CG 3.88Å; K636-E646 IonicContact NZ-OE1 3.91Å; K636-E646 PolarHBondContact NZ-OE1 3.47Å; L644-E646 PolarHBondContact O-N 2.93Å
647	D	84.8	Confident	84.7	Confident	30 Å²	30	63.1 Å²	63.1	16%	0.16	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	157.9	-180	-156.1	2.1	0	0	0	111.2	I634 H738 Y743	I634-D647 HydrophobicContact CB-CB 4.37Å; I634-D647 PolarHBondContact N-O 2.97Å; I634-D647 PolarHBondContact O-N 3.35Å; I634-D647 VanDerWaalsContact O-N 3.17Å; D647-H738 IonicContact OD1-CE1 3.76Å; D647-H738 IonicContact OD1-NE2 3.5Å; D647-H738 PolarHBondContact OD1-NE2 3.03Å; D647-H738 IonicContact OD2-CE1 3.31Å; D647-H738 IonicContact OD2-NE2 2.65Å; D647-Y743 WeakPolarHBondContact CB-OH 3.44Å; D647-Y743 VanDerWaalsContact CG-OH 3.28Å; D647-Y743 WeakPolarHBondContact OD2-CE2 3.33Å; D647-Y743 PolarHBondContact OD2-OH 3.38Å
648	S	85.5	Confident	84.5	Confident	32 Å²	32	59.1 Å²	59.1	22%	0.224	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	127.9	-174.5	63.7	0	0	0	0	113.6	L632	L632-S648 WeakPolarHBondContact O-CA 3.36Å
649	C	85.6	Confident	83.9	Confident	3 Å²	3	55 Å²	55	2%	0.02	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.9	-171.8	-155.1	0	0	0	0	113.3	Y631 L632 I654 M733 H738	Y631-C649 WeakPolarHBondContact CA-O 3.29Å; Y631-C649 WeakPolarHBondContact CD2-O 3.44Å; L632-C649 PolarHBondContact N-O 2.96Å; L632-C649 PolarHBondContact O-N 2.74Å; C649-I654 HydrophobicContact CB-CD1 4.23Å; C649-I654 HydrophobicContact CB-CG1 4.46Å; C649-M733 HydrophobicContact CB-CB 4.39Å; C649-M733 HydrophobicContact CB-CE 3.79Å; C649-M733 HydrophobicContact CB-CG 3.89Å; C649-M733 HydrophobicContact CB-SD 3.76Å; C649-H738 PolarHBondContact SG-CD2 3.14Å
650	S	85.9	Confident	83	Confident	32 Å²	32	60.4 Å²	60.4	22%	0.224	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	144.2	171.8	176.9	0	0	0	0	110.7	S652 Y653	S650-S652 WeakPolarHBondContact CB-OG 3.39Å; S650-S652 PolarHBondContact O-N 3.24Å; S650-S652 VanDerWaalsContact O-N 3.16Å; S650-S652 PolarHBondContact OG-N 2.93Å; S650-S652 PolarHBondContact OG-OG 3.16Å; S650-Y653 PolarHBondContact O-N 2.91Å
651	L	85.1	Confident	82.3	Confident	48 Å²	48	55.9 Å²	55.9	25%	0.251	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-63	-20.3	174.8	-71.7	172.8	0	0	0	113.2	L627 F628 D630 Y653 I654 L760	L627-L651 HydrophobicContact CD1-CD1 3.87Å; L627-L651 HydrophobicContact CD1-CD2 3.62Å; L627-L651 HydrophobicContact CD1-CG 4.21Å; F628-L651 WeakPolarHBondContact O-CD1 3.36Å; D630-L651 PolarHBondContact O-N 3.41Å; L651-Y653 PolarHBondContact O-N 3.45Å; L651-I654 HydrophobicContact CD2-CD1 3.97Å; L651-I654 PolarHBondContact O-N 3.09Å; L651-L760 HydrophobicContact CD2-CD2 4.46Å
652	S	84.4	Confident	81.6	Confident	78 Å²	78	53.9 Å²	53.9	55%	0.545	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-64.7	-14.5	170.8	63.6	0	0	0	0	114.5	S650	S650-S652 WeakPolarHBondContact CB-OG 3.39Å; S650-S652 PolarHBondContact O-N 3.24Å; S650-S652 VanDerWaalsContact O-N 3.16Å; S650-S652 PolarHBondContact OG-N 2.93Å; S650-S652 PolarHBondContact OG-OG 3.16Å
653	Y	86.2	Confident	80.3	Confident	95 Å²	95	56.6 Å²	56.6	37%	0.373	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-122.2	21.8	-173.8	-58.2	-41.2	0	0	0	112.1	S650 L651 M733 E734 P736	S650-Y653 PolarHBondContact O-N 2.91Å; L651-Y653 PolarHBondContact O-N 3.45Å; Y653-M733 WeakPolarHBondContact O-CA 3.39Å; Y653-E734 WeakPolarHBondContact CB-O 3.45Å; Y653-E734 PolarHBondContact O-N 2.77Å; Y653-P736 HydrophobicContact CE1-CG 4.44Å; Y653-P736 HydrophobicContact CE2-CG 4.32Å; Y653-P736 VanDerWaalsContact CZ-CD 3.45Å
654	I	87	Confident	79.4	Confident	14 Å²	14	63.9 Å²	63.9	7%	0.072	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.2	-176.9	-83	166.3	0	0	0	110.7	L632 C649 L651 V656 L731 I732 M733	L632-I654 HydrophobicContact CB-CD1 3.67Å; L632-I654 HydrophobicContact CD2-CD1 3.78Å; L632-I654 HydrophobicContact CG-CD1 4.39Å; C649-I654 HydrophobicContact CB-CD1 4.23Å; C649-I654 HydrophobicContact CB-CG1 4.46Å; L651-I654 HydrophobicContact CD2-CD1 3.97Å; L651-I654 PolarHBondContact O-N 3.09Å; I654-V656 HydrophobicContact CG2-CG2 3.89Å; I654-L731 HydrophobicContact CB-CD1 4.47Å; I654-L731 HydrophobicContact CG1-CD1 4.28Å; I654-L731 HydrophobicContact CG2-CD1 3.55Å; I654-I732 WeakPolarHBondContact CA-O 3.42Å; I654-M733 HydrophobicContact CD1-CE 4.29Å; I654-M733 HydrophobicContact CG1-CG 4Å
655	H	86.2	Confident	78.7	Confident	112 Å²	112	63.4 Å²	63.4	52%	0.519	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.6	173.4	-56.3	-33.3	0	0	0	109.8	I732	H655-I732 HydrophobicContact CB-CB 4.38Å; H655-I732 PolarHBondContact N-O 2.79Å; H655-I732 PolarHBondContact O-N 2.84Å
656	V	88.1	Confident	78.3	Confident	20 Å²	20	68.1 Å²	68.1	12%	0.121	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	114.2	-170.9	-164.4	0	0	0	0	113.1	I654 F729 I730 L731 L757 L760 R764	I654-V656 HydrophobicContact CG2-CG2 3.89Å; V656-F729 HydrophobicContact CG1-CD2 3.73Å; V656-F729 HydrophobicContact CG1-CE2 4.36Å; V656-I730 WeakPolarHBondContact CA-O 3.41Å; V656-I730 WeakPolarHBondContact CG1-O 3.26Å; V656-L731 HydrophobicContact CG2-CD1 3.86Å; V656-L757 HydrophobicContact CB-CD2 4.48Å; V656-L757 HydrophobicContact CG1-CD2 3.35Å; V656-L760 HydrophobicContact CG2-CB 3.88Å; V656-R764 PolarHBondContact O-NH2 2.93Å; V656-R764 VanDerWaalsContact O-NH2 3.07Å
657	E	85	Confident	78.2	Confident	107 Å²	107	66.5 Å²	66.5	50%	0.5	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.2	179.5	-58.7	170.8	177.6	0	0	109.7	F729 I730	E657-F729 WeakPolarHBondContact O-CA 3.38Å; E657-I730 HydrophobicContact CB-CB 4.27Å; E657-I730 PolarHBondContact N-O 3.05Å; E657-I730 PolarHBondContact O-N 2.81Å
658	A	81.3	Confident	78	Confident	41 Å²	41	66.2 Å²	66.2	34%	0.339	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	131.1	176.4	0	0	0	0	0	109.6	L757	A658-L757 HydrophobicContact CB-CD1 3.68Å
659	H	70.9	Confident	77.6	Confident	87 Å²	87	66.3 Å²	66.3	40%	0.403	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-71.9	151.2	172.1	-67.4	-74	0	0	0	110.8	A661 S728 R753	H659-A661 PolarHBondContact O-N 3.33Å; H659-S728 PolarHBondContact CD2-OG 2.58Å; H659-S728 VanDerWaalsContact CD2-OG 3.25Å; H659-R753 PolarHBondContact O-NH1 3.39Å
660	N	60	Low	77.1	Confident	162 Å²	162	67.5 Å²	67.5	87%	0.866	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-49.3	140.3	-177.7	-68	4.7	0	0	0	112.1
661	A	61.1	Low	76.2	Confident	47 Å²	47	66.6 Å²	66.6	39%	0.388	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-64.1	144.7	178.6	0	0	0	0	0	111.2	H659 C665	H659-A661 PolarHBondContact O-N 3.33Å; A661-C665 HydrophobicContact CB-CB 4.07Å
662	L	64.7	Low	75	Confident	56 Å²	56	71.7 Å²	71.7	29%	0.293	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-61.2	150	175.3	-75.2	159.8	0	0	0	110.8	N664 C665 N725 F727	L662-N664 PolarHBondContact O-N 3.03Å; L662-C665 VanDerWaalsContact O-CB 3.24Å; L662-C665 WeakPolarHBondContact O-CB 3.13Å; L662-C665 PolarHBondContact O-N 2.99Å; L662-N725 HydrophobicContact CD1-CB 3.93Å; L662-F727 HydrophobicContact CD1-CE1 4.09Å; L662-F727 HydrophobicContact CD1-CE2 4.35Å; L662-F727 HydrophobicContact CD1-CZ 4Å
663	P	58.3	Low	73.7	Confident	109 Å²	109	68.8 Å²	68.8	71%	0.708	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	138.5	172.1	-27.5	35.4	0	0	0	112	C665	P663-C665 VanDerWaalsContact C-N 3.32Å
664	N	67.9	Low	72.2	Confident	159 Å²	159	67.7 Å²	67.7	85%	0.85	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	1.3	-172.1	-43.3	-58.6	0	0	0	116.8	L662	L662-N664 PolarHBondContact O-N 3.03Å
665	C	75.1	Confident	70.8	Confident	36 Å²	36	70.4 Å²	70.4	24%	0.243	39%	0.387	C	S	.	.			trans	-89	143	171.7	-61.4	0	0	0	0	111.8	A661 L662 P663 F727 L750 S810	A661-C665 HydrophobicContact CB-CB 4.07Å; L662-C665 VanDerWaalsContact O-CB 3.24Å; L662-C665 WeakPolarHBondContact O-CB 3.13Å; L662-C665 PolarHBondContact O-N 2.99Å; P663-C665 VanDerWaalsContact C-N 3.32Å; C665-F727 HydrophobicContact CB-CE1 4.45Å; C665-L750 HydrophobicContact CB-CD2 4.32Å; C665-S810 WeakPolarHBondContact CA-OG 3.42Å
666	F	77.6	Confident	69.5	Low	104 Å²	104	69.7 Å²	69.7	46%	0.456	39%	0.392	S	S	.	.			trans	-145.7	152.9	178.2	60.8	-102.3	0	0	0	113.1	S810	F666-S810 VanDerWaalsContact CD1-CB 3.47Å; F666-S810 VanDerWaalsContact CE1-CB 3.46Å; F666-S810 PolarHBondContact N-OG 2.96Å; F666-S810 VanDerWaalsContact N-OG 3.14Å; F666-S810 PolarHBondContact O-N 3.08Å; F666-S810 VanDerWaalsContact O-N 3.08Å
667	I	80.8	Confident	68.1	Low	25 Å²	25	76.2 Å²	76.2	13%	0.128	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	84.2	-176.9	-53	173.9	0	0	0	108.7	H669 V685 L750 E754 V807 L809	I667-H669 VanDerWaalsContact C-CE1 3.43Å; I667-H669 WeakPolarHBondContact CG2-NE2 3.39Å; I667-H669 PolarHBondContact O-CE1 2.99Å; I667-H669 PolarHBondContact O-N 2.66Å; I667-H669 PolarHBondContact O-ND1 3.33Å; I667-H669 PolarHBondContact O-NE2 3.44Å; I667-V685 VanDerWaalsContact O-CG2 3.29Å; I667-V685 WeakPolarHBondContact O-CG2 3.13Å; I667-L750 HydrophobicContact CD1-CD1 4.36Å; I667-L750 HydrophobicContact CG1-CD1 4.42Å; I667-L750 HydrophobicContact CG1-CD2 4.29Å; I667-E754 VanDerWaalsContact CD1-CD 3.47Å; I667-E754 HydrophobicContact CD1-CG 3.9Å; I667-E754 HydrophobicContact CG1-CG 4.4Å; I667-V807 HydrophobicContact CG2-CG1 4.02Å; I667-L809 HydrophobicContact CB-CD2 4.12Å; I667-L809 HydrophobicContact CG1-CD2 3.98Å; I667-L809 HydrophobicContact CG2-CD2 3.7Å
668	H	80.7	Confident	66.8	Low	24 Å²	24	72.4 Å²	72.4	11%	0.111	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	109.5	-172.9	-164.9	-46.8	0	0	0	111.4	F670 V685 T686 V807 S808	H668-F670 HydrophobicContact CB-CE2 4.49Å; H668-F670 HydrophobicContact CB-CZ 4.43Å; H668-F670 AromaticContact CE1-CD1 3.64Å; H668-F670 AromaticContact CE1-CE1 3.26Å; H668-F670 WeakPolarHBondContact CE1-CE1 3.28Å; H668-F670 AromaticContact CE1-CZ 3.75Å; H668-F670 AromaticContact CG-CZ 3.82Å; H668-F670 AromaticContact ND1-CD1 3.72Å; H668-F670 AromaticContact ND1-CE1 3.39Å; H668-F670 WeakPolarHBondContact ND1-CE1 3.35Å; H668-F670 AromaticContact ND1-CE2 3.82Å; H668-F670 AromaticContact ND1-CZ 3.44Å; H668-F670 WeakPolarHBondContact ND1-CZ 3.47Å; H668-F670 AromaticContact NE2-CE1 3.91Å; H668-V685 HydrophobicContact CB-CG1 3.79Å; H668-T686 PolarHBondContact CE1-O 2.96Å; H668-T686 PolarHBondContact NE2-O 2.66Å; H668-V807 CarbonylContact O-C 3.53Å; H668-V807 VanDerWaalsContact O-CA 3.22Å; H668-V807 WeakPolarHBondContact O-CA 3.39Å; H668-S808 PolarHBondContact N-O 2.79Å; H668-S808 PolarHBondContact O-N 3.45Å
669	H	77.5	Confident	65.6	Low	33 Å²	33	73.3 Å²	73.3	15%	0.153	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	141.3	171.7	-59	77.2	0	0	0	109.1	I667 H765	I667-H669 VanDerWaalsContact C-CE1 3.43Å; I667-H669 WeakPolarHBondContact CG2-NE2 3.39Å; I667-H669 PolarHBondContact O-CE1 2.99Å; I667-H669 PolarHBondContact O-N 2.66Å; I667-H669 PolarHBondContact O-ND1 3.33Å; I667-H669 PolarHBondContact O-NE2 3.44Å; H669-H765 AromaticContact CD2-ND1 3.71Å; H669-H765 PolarHBondContact CD2-O 2.99Å
670	F	75.8	Confident	65	Low	29 Å²	29	73 Å²	73	13%	0.127	41%	0.413	C	S	.	.			trans	-109.6	-25.9	179.6	-67.4	-78.6	0	0	0	113.6	H668 L691 C778 P779 V805 L806	H668-F670 HydrophobicContact CB-CE2 4.49Å; H668-F670 HydrophobicContact CB-CZ 4.43Å; H668-F670 AromaticContact CE1-CD1 3.64Å; H668-F670 AromaticContact CE1-CE1 3.26Å; H668-F670 WeakPolarHBondContact CE1-CE1 3.28Å; H668-F670 AromaticContact CE1-CZ 3.75Å; H668-F670 AromaticContact CG-CZ 3.82Å; H668-F670 AromaticContact ND1-CD1 3.72Å; H668-F670 AromaticContact ND1-CE1 3.39Å; H668-F670 WeakPolarHBondContact ND1-CE1 3.35Å; H668-F670 AromaticContact ND1-CE2 3.82Å; H668-F670 AromaticContact ND1-CZ 3.44Å; H668-F670 WeakPolarHBondContact ND1-CZ 3.47Å; H668-F670 AromaticContact NE2-CE1 3.91Å; F670-L691 HydrophobicContact CE2-CD2 4.41Å; F670-L691 HydrophobicContact CZ-CD2 3.78Å; F670-L691 HydrophobicContact CZ-CG 4.15Å; F670-C778 HydrophobicContact CB-CB 4.11Å; F670-P779 HydrophobicContact CD1-CG 3.51Å; F670-P779 HydrophobicContact CE1-CG 3.66Å; F670-P779 VanDerWaalsContact CG-CD 3.49Å; F670-P779 HydrophobicContact CG-CG 4.08Å; F670-P779 HydrophobicContact CZ-CG 4.34Å; F670-V805 WeakPolarHBondContact CB-O 3.29Å; F670-V805 HydrophobicContact CD2-CB 4.43Å; F670-V805 HydrophobicContact CD2-CG1 3.88Å; F670-V805 WeakPolarHBondContact CD2-O 3.18Å; F670-V805 HydrophobicContact CE2-CG1 3.71Å; F670-L806 PolarHBondContact N-O 2.92Å
671	C	67.5	Low	64.6	Low	13 Å²	13	72.9 Å²	72.9	9%	0.088	41%	0.407	C	S	.	.	S	Bend	trans	-116.4	156.1	-178.2	-32.8	0	0	0	0	109.9	L771 C778 L806	C671-L771 HydrophobicContact CB-CD2 4.31Å; C671-C778 WeakPolarHBondContact CB-SG 3.38Å; C671-C778 WeakPolarHBondContact SG-CB 3.45Å; C671-C778 CovalentContact SG-SG 2.05Å; C671-C778 PolarHBondContact SG-SG 3.03Å; C671-L806 WeakPolarHBondContact SG-CD2 3.36Å
672	R	58.3	Low	64.4	Low	154 Å²	154	73.1 Å²	73.1	58%	0.581	40%	0.402	S	S	*	.			trans	-91.3	142.1	-172.7	-83.7	179.3	-180	174.8	5.6	114	Y687 G766	R672-Y687 HydrophobicContact CG-CE1 4.19Å; R672-Y687 WeakPolarHBondContact CG-OH 3.18Å; R672-Y687 PolarHBondContact NE-OH 2.84Å; R672-Y687 VanDerWaalsContact NE-OH 3.13Å; R672-G766 CarbonylContact C-O 3.48Å
673	S	57.4	Low	63.2	Low	18 Å²	18	73 Å²	73	13%	0.126	41%	0.414	C	S	.	.			trans	-68.7	141.1	161.3	-163.8	0	0	0	0	110.6	D675 L678 N679 G766	S673-D675 PolarHBondContact O-N 2.86Å; S673-D675 PolarHBondContact OG-N 3.02Å; S673-D675 VanDerWaalsContact OG-N 3.11Å; S673-L678 WeakPolarHBondContact OG-CD2 3.41Å; S673-N679 WeakPolarHBondContact CB-OD1 3.5Å; S673-N679 PolarHBondContact N-OD1 2.87Å; S673-N679 PolarHBondContact O-ND2 3.05Å; S673-G766 VanDerWaalsContact CA-O 3.29Å; S673-G766 WeakPolarHBondContact CA-O 3.13Å; S673-G766 VanDerWaalsContact CB-CA 3.42Å; S673-G766 PolarHBondContact N-O 3.35Å
674	G	55.1	Low	62.4	Low	72 Å²	72	77.1 Å²	77.1	74%	0.742	42%	0.424	S	S	*	.	S	Bend	trans	-68.6	-16.9	163	0	0	0	0	0	113.3	P676	G674-P676 WeakPolarHBondContact O-CD 3.26Å
675	D	57.7	Low	61.2	Low	71 Å²	71	72 Å²	72	38%	0.38	40%	0.398	S	S	.	.			trans	-89.8	112.1	174.7	-179.2	11.3	0	0	0	111.7	S673 K677 L678 N679	S673-D675 PolarHBondContact O-N 2.86Å; S673-D675 PolarHBondContact OG-N 3.02Å; S673-D675 VanDerWaalsContact OG-N 3.11Å; D675-K677 VanDerWaalsContact C-N 3.26Å; D675-K677 PolarHBondContact O-N 3.3Å; D675-K677 WeakPolarHBondContact OD1-CB 3.43Å; D675-K677 PolarHBondContact OD1-N 3Å; D675-L678 HydrophobicContact CB-CB 4.12Å; D675-L678 PolarHBondContact O-N 2.67Å; D675-L678 PolarHBondContact OD2-N 3.1Å; D675-N679 PolarHBondContact O-N 2.87Å; D675-N679 VanDerWaalsContact O-N 3.16Å; D675-N679 PolarHBondContact O-ND2 3.28Å
676	P	58.7	Low	59.4	Low	96 Å²	96	74.8 Å²	74.8	62%	0.623	41%	0.414	S	S	*	.	H	α-helix	trans	-66.5	-23.7	176.2	28.5	-35.4	0	0	0	113.5	G674 A680	G674-P676 WeakPolarHBondContact O-CD 3.26Å; P676-A680 WeakPolarHBondContact O-CB 3.32Å; P676-A680 PolarHBondContact O-N 3.24Å
677	K	59.1	Low	57.4	Low	157 Å²	157	75.3 Å²	75.3	68%	0.683	41%	0.414	S	S	*	.	H	α-helix	trans	-68.1	-44.6	176.2	-63.9	176.8	179.4	174.2	0	110.8	D675 A680 Q681	D675-K677 VanDerWaalsContact C-N 3.26Å; D675-K677 PolarHBondContact O-N 3.3Å; D675-K677 WeakPolarHBondContact OD1-CB 3.43Å; D675-K677 PolarHBondContact OD1-N 3Å; K677-A680 PolarHBondContact O-N 3.37Å; K677-Q681 WeakPolarHBondContact O-CG 3.32Å; K677-Q681 PolarHBondContact O-N 3.36Å
678	L	56.8	Low	55	Low	27 Å²	27	80.8 Å²	80.8	14%	0.141	45%	0.448	C	S	.	.	H	α-helix	trans	-62.4	-46.1	174.5	-168	89.9	0	0	0	111.3	S673 D675 A680 Q681 L682 G763	S673-L678 WeakPolarHBondContact OG-CD2 3.41Å; D675-L678 HydrophobicContact CB-CB 4.12Å; D675-L678 PolarHBondContact O-N 2.67Å; D675-L678 PolarHBondContact OD2-N 3.1Å; L678-A680 PolarHBondContact O-N 3.1Å; L678-Q681 PolarHBondContact O-N 2.74Å; L678-L682 HydrophobicContact CD2-CD1 3.99Å; L678-L682 HydrophobicContact CG-CD1 4.06Å; L678-L682 HydrophobicContact CG-CG 4.42Å; L678-L682 WeakPolarHBondContact O-CG 3.48Å; L678-L682 PolarHBondContact O-N 2.83Å; L678-G763 WeakPolarHBondContact CD2-O 3.44Å
679	N	57.2	Low	52.8	Low	60 Å²	60	87.6 Å²	87.6	32%	0.321	48%	0.477	S	S	.	.	H	α-helix	trans	-57.9	-33.7	176.5	-69.5	-34.4	0	0	0	112.4	S673 D675	S673-N679 WeakPolarHBondContact CB-OD1 3.5Å; S673-N679 PolarHBondContact N-OD1 2.87Å; S673-N679 PolarHBondContact O-ND2 3.05Å; D675-N679 PolarHBondContact O-N 2.87Å; D675-N679 VanDerWaalsContact O-N 3.16Å; D675-N679 PolarHBondContact O-ND2 3.28Å
680	A	57.9	Low	50.9	Low	81 Å²	81	90.7 Å²	90.7	67%	0.669	50%	0.498	S	S	*	.	H	α-helix	trans	-74.9	-29.7	174.6	0	0	0	0	0	113.7	P676 K677 L678	P676-A680 WeakPolarHBondContact O-CB 3.32Å; P676-A680 PolarHBondContact O-N 3.24Å; K677-A680 PolarHBondContact O-N 3.37Å; L678-A680 PolarHBondContact O-N 3.1Å
681	Q	52.5	Low	49.4	Very low	159 Å²	159	90.2 Å²	90.2	74%	0.743	50%	0.497	S	S	*	.	H	α-helix	trans	-74.9	-31.3	174.2	-72.2	177.4	-7.5	0	0	112.7	K677 L678 G683	K677-Q681 WeakPolarHBondContact O-CG 3.32Å; K677-Q681 PolarHBondContact O-N 3.36Å; L678-Q681 PolarHBondContact O-N 2.74Å; Q681-G683 PolarHBondContact O-N 3.12Å
682	L	55	Low	48.1	Very low	52 Å²	52	94.7 Å²	94.7	27%	0.272	53%	0.528	S	S	.	.	S	Bend	trans	-78.9	36.1	177.6	-64.4	172.7	0	0	0	113.2	L678	L678-L682 HydrophobicContact CD2-CD1 3.99Å; L678-L682 HydrophobicContact CG-CD1 4.06Å; L678-L682 HydrophobicContact CG-CG 4.42Å; L678-L682 WeakPolarHBondContact O-CG 3.48Å; L678-L682 PolarHBondContact O-N 2.83Å
683	G	41.2	Very low	47.3	Very low	53 Å²	53	89.5 Å²	89.5	55%	0.546	51%	0.512	S	S	.	.			trans	-57.8	136.8	-174.5	0	0	0	0	0	114	Q681	Q681-G683 PolarHBondContact O-N 3.12Å
684	H	40.2	Very low	46.2	Very low	197 Å²	197	93.9 Å²	93.9	91%	0.912	54%	0.54	S	S	*	.	S	Bend	trans	66	60.6	176.6	-66.4	-86.4	0	0	0	118
685	V	43.8	Very low	45.1	Very low	50 Å²	50	99.2 Å²	99.2	30%	0.303	54%	0.543	S	S	.	.			trans	-131.1	148.6	137.9	-168.4	0	0	0	0	111.2	I667 H668	I667-V685 VanDerWaalsContact O-CG2 3.29Å; I667-V685 WeakPolarHBondContact O-CG2 3.13Å; H668-V685 HydrophobicContact CB-CG1 3.79Å
686	T	35.7	Very low	44	Very low	95 Å²	95	104.6 Å²	104.6	58%	0.583	57%	0.566	S	S	*	*			trans	-81.5	143	-160.2	-39.4	0	0	0	0	113.8	H668	H668-T686 PolarHBondContact CE1-O 2.96Å; H668-T686 PolarHBondContact NE2-O 2.66Å
687	Y	37.2	Very low	42.7	Very low	116 Å²	116	105.4 Å²	105.4	46%	0.455	57%	0.569	S	S	.	*	S	Bend	trans	-79.1	135	165	-81.6	-103.8	0	0	0	110.4	R672	R672-Y687 HydrophobicContact CG-CE1 4.19Å; R672-Y687 WeakPolarHBondContact CG-OH 3.18Å; R672-Y687 PolarHBondContact NE-OH 2.84Å; R672-Y687 VanDerWaalsContact NE-OH 3.13Å
688	V	29.4	Very low	41.1	Very low	139 Å²	139	102.7 Å²	102.7	84%	0.842	58%	0.576	S	S	*	*			trans	57	91.6	174.9	-168.8	0	0	0	0	114.9
689	K	35.6	Very low	39.8	Very low	167 Å²	167	106.9 Å²	106.9	73%	0.726	60%	0.603	S	S	*	*			trans	-141.3	134.3	150.6	-155.8	165.9	-172.5	171.9	0	109.7
690	T	35.9	Very low	38.6	Very low	98 Å²	98	113.2 Å²	113.2	60%	0.601	63%	0.63	S	S	*	*			trans	-49.9	139.9	-179.1	-48.5	0	0	0	0	111.6	S692 E833	T690-S692 VanDerWaalsContact C-N 3.27Å; T690-S692 PolarHBondContact O-N 2.75Å; T690-E833 WeakPolarHBondContact CG2-OE1 3.49Å; T690-E833 WeakPolarHBondContact CG2-OE2 3.34Å
691	L	44.5	Very low	37.1	Very low	20 Å²	20	119.2 Å²	119.2	11%	0.105	65%	0.645	C	S	.	*			trans	-72.4	82.4	178.8	-84.3	174.2	0	0	0	110.1	F670 L693 P779 V781 V805 E833	F670-L691 HydrophobicContact CE2-CD2 4.41Å; F670-L691 HydrophobicContact CZ-CD2 3.78Å; F670-L691 HydrophobicContact CZ-CG 4.15Å; L691-L693 HydrophobicContact CB-CD1 4.06Å; L691-L693 WeakPolarHBondContact O-CD1 3.33Å; L691-L693 PolarHBondContact O-N 2.87Å; L691-P779 HydrophobicContact CD1-CB 3.71Å; L691-P779 HydrophobicContact CD1-CG 4.38Å; L691-P779 HydrophobicContact CG-CB 4.3Å; L691-V781 HydrophobicContact CD1-CG1 4.19Å; L691-V805 HydrophobicContact CD1-CB 4.3Å; L691-V805 HydrophobicContact CD1-CG1 4.44Å; L691-V805 HydrophobicContact CD1-CG2 4.08Å; L691-E833 HydrophobicContact CB-CB 4.42Å; L691-E833 HydrophobicContact CB-CG 4.3Å; L691-E833 WeakPolarHBondContact CB-OE1 3.5Å; L691-E833 PolarHBondContact N-OE1 3.26Å
692	S	40.6	Very low	36	Very low	106 Å²	106	115.1 Å²	115.1	74%	0.741	65%	0.645	S	S	*	*			trans	-70.8	71.8	169.7	60.4	0	0	0	0	110.7	T690	T690-S692 VanDerWaalsContact C-N 3.27Å; T690-S692 PolarHBondContact O-N 2.75Å
693	L	41.4	Very low	34.9	Very low	46 Å²	46	122.6 Å²	122.6	24%	0.241	68%	0.675	C	S	.	*			trans	-53.5	130.1	173.3	-81.3	97.6	0	0	0	109.5	L691 K695 S828 E833	L691-L693 HydrophobicContact CB-CD1 4.06Å; L691-L693 WeakPolarHBondContact O-CD1 3.33Å; L691-L693 PolarHBondContact O-N 2.87Å; L693-K695 PolarHBondContact O-N 3.22Å; L693-S828 WeakPolarHBondContact CD2-O 3.29Å; L693-E833 HydrophobicContact CD1-CB 3.86Å
694	P	35.6	Very low	34.4	Very low	109 Å²	109	126.1 Å²	126.1	71%	0.708	69%	0.686	S	S	*	*			trans	-69.1	106.1	-179.3	27.3	-33.5	0	0	0	110.3	Q696	P694-Q696 PolarHBondContact O-N 3.09Å; P694-Q696 VanDerWaalsContact O-N 3.08Å
695	K	32.1	Very low	34	Very low	184 Å²	184	124.6 Å²	124.6	80%	0.8	68%	0.684	S	S	*	*			trans	-62	110.1	169	-70.8	-175.4	176.7	-177.8	0	108.9	L693 T697	L693-K695 PolarHBondContact O-N 3.22Å; K695-T697 HydrophobicContact CB-CG2 4.44Å; K695-T697 PolarHBondContact O-N 3.42Å
696	Q	34.4	Very low	33.3	Very low	185 Å²	185	128.9 Å²	128.9	86%	0.864	71%	0.706	S	S	*	*			trans	-72.6	76.9	170.9	-69.9	-172.2	-1.7	0	0	110.7	P694 A698	P694-Q696 PolarHBondContact O-N 3.09Å; P694-Q696 VanDerWaalsContact O-N 3.08Å; Q696-A698 PolarHBondContact O-N 3.43Å
697	T	29.7	Very low	33.3	Very low	112 Å²	112	133.7 Å²	133.7	69%	0.687	72%	0.722	S	S	*	*			trans	-79.7	95	169.5	46.8	0	0	0	0	109.5	K695 T699	K695-T697 HydrophobicContact CB-CG2 4.44Å; K695-T697 PolarHBondContact O-N 3.42Å; T697-T699 PolarHBondContact O-N 2.84Å
698	A	26.8	Very low	32.9	Very low	100 Å²	100	138 Å²	138	83%	0.826	74%	0.743	S	S	*	*			trans	-77.2	52.6	-172.9	0	0	0	0	0	114.7	Q696	Q696-A698 PolarHBondContact O-N 3.43Å
699	T	29	Very low	32.9	Very low	116 Å²	116	136.8 Å²	136.8	71%	0.712	74%	0.738	S	S	*	*			trans	-156.5	115.3	168.9	37.4	0	0	0	0	110.6	T697	T697-T699 PolarHBondContact O-N 2.84Å
700	E	31.4	Very low	32.6	Very low	193 Å²	193	140.4 Å²	140.4	90%	0.902	75%	0.747	S	S	*	*				-174.3	146.3	109.8	-101.1	179	-178.1	0	0	112.4
701	Q	27.9	Very low	32.2	Very low	207 Å²	207	145 Å²	145	97%	0.967	76%	0.759	S	S	*	*			trans	-104.5	112	171.1	-66.1	175.6	-11.8	0	0	107.8
702	G	29.5	Very low	31.5	Very low	73 Å²	73	154 Å²	154	75%	0.753	80%	0.797	S	S	*	*			trans	-150.8	86.3	-166.4	0	0	0	0	0	116.2
703	K	31.8	Very low	30.8	Very low	208 Å²	208	153.2 Å²	153.2	90%	0.904	79%	0.792	S	S	*	*			trans	41.5	107.2	152.4	-66.7	178.1	178.5	175.2	0	119
704	V	29.9	Very low	30.5	Very low	127 Å²	127	157.8 Å²	157.8	77%	0.77	82%	0.822	S	S	*	*			trans	-41.2	138.8	149.6	176	0	0	0	0	111.8
705	N	32.1	Very low	30.2	Very low	165 Å²	165	159.4 Å²	159.4	88%	0.882	83%	0.825	S	S	*	*			trans	-145.6	144	150.1	-132.8	-12	0	0	0	111.2
706	N	28.6	Very low	30.3	Very low	140 Å²	140	156.9 Å²	156.9	75%	0.749	83%	0.825	S	S	*	*			trans	-91.1	136.6	-168.9	-72.8	-60.1	0	0	0	112.9
707	Q	36.5	Very low	30	Very low	197 Å²	197	155 Å²	155	92%	0.921	82%	0.82	S	S	*	*			trans	-152.3	130.4	152.5	-109	163.4	46.2	0	0	111.1
708	K	27.4	Very low	30.1	Very low	205 Å²	205	157.8 Å²	157.8	89%	0.891	83%	0.831	S	S	*	*			trans	-105.3	137.3	169.4	-88.8	176.4	173.7	169	0	108.3
709	P	29.5	Very low	30.1	Very low	115 Å²	115	157.7 Å²	157.7	75%	0.747	83%	0.831	S	S	*	*				-138.5	173.7	104.7	19.4	2.1	0	0	0	111.4
710	R	30.1	Very low	30.1	Very low	243 Å²	243	157.1 Å²	157.1	92%	0.917	84%	0.838	S	S	*	*			cis	-149.4	157.8	-11	-118.1	165.2	-171.7	170.2	1.6	106.2
711	K	27.3	Very low	30.1	Very low	194 Å²	194	154.7 Å²	154.7	84%	0.843	83%	0.831	S	S	*	*			trans	-78.2	142.2	172.5	-69.8	-174.6	177.1	-174.5	0	110.6
712	F	30.1	Very low	30.2	Very low	209 Å²	209	152.2 Å²	152.2	92%	0.917	83%	0.829	S	S	*	*			trans	-126	137.8	147.2	-108.9	-90.6	0	0	0	107.4
713	S	26.6	Very low	30.3	Very low	90 Å²	90	150.9 Å²	150.9	63%	0.629	82%	0.816	S	S	*	*			trans	-122.3	130.6	177.6	-80.3	0	0	0	0	109.1
714	T	33.7	Very low	31.3	Very low	142 Å²	142	148.7 Å²	148.7	87%	0.871	81%	0.813	S	S	*	*			trans	-147.7	116.9	153.8	8	0	0	0	0	106.8
715	D	28.8	Very low	32.6	Very low	143 Å²	143	148.8 Å²	148.8	77%	0.765	81%	0.809	S	S	*	*			trans	-82.2	139.9	-175.4	-54.2	-83.4	0	0	0	111.1
716	T	34.3	Very low	34.6	Very low	130 Å²	130	143 Å²	143	80%	0.798	78%	0.78	S	S	*	*			trans	-170.6	109.5	136.3	11.2	0	0	0	0	112.4
717	N	28.9	Very low	37.3	Very low	145 Å²	145	137.1 Å²	137.1	78%	0.775	75%	0.748	S	S	*	*			trans	35.2	90.3	138.9	-54.6	-16.8	0	0	0	118.8
718	N	32.2	Very low	39.7	Very low	171 Å²	171	129 Å²	129	91%	0.914	71%	0.713	S	S	*	*				-164.1	141.7	109.8	-96.4	-39.8	0	0	0	111.4
719	A	26.8	Very low	42.6	Very low	99 Å²	99	119.2 Å²	119.2	82%	0.818	67%	0.67	S	S	*	*			trans	-94.9	160.9	179.8	0	0	0	0	0	111.9
720	A	29.3	Very low	45.4	Very low	104 Å²	104	114.5 Å²	114.5	86%	0.86	64%	0.638	S	S	*	*			trans	76	65.5	173.1	0	0	0	0	0	117.8
721	D	31.8	Very low	48.3	Very low	141 Å²	141	102.9 Å²	102.9	75%	0.754	60%	0.595	S	S	*	*			trans	-133.9	115.7	131.8	-166	1.7	0	0	0	111.6	G723	D721-G723 PolarHBondContact OD1-N 3.21Å; D721-G723 VanDerWaalsContact OD1-N 3.14Å
722	V	28.6	Very low	51.3	Low	155 Å²	155	94 Å²	94	94%	0.939	56%	0.556	S	S	*	*			trans	-146.5	60.7	171.9	-172.2	0	0	0	0	106.4
723	G	32.9	Very low	54	Low	45 Å²	45	84 Å²	84	46%	0.464	51%	0.512	S	S	.	.			trans	-142.4	59.6	-155.7	0	0	0	0	0	118.9	D721	D721-G723 PolarHBondContact OD1-N 3.21Å; D721-G723 VanDerWaalsContact OD1-N 3.14Å
724	L	51.2	Low	56.8	Low	162 Å²	162	83.2 Å²	83.2	85%	0.848	50%	0.499	S	S	*	.			trans	75.3	142.7	161	-56.2	155.8	0	0	0	117.8	V726	L724-V726 HydrophobicContact CB-CG2 3.97Å; L724-V726 WeakPolarHBondContact O-CG2 3.48Å; L724-V726 PolarHBondContact O-N 3.25Å
725	N	57.7	Low	59	Low	130 Å²	130	77.3 Å²	77.3	70%	0.695	47%	0.466	S	S	*	.			trans	-70.8	112.7	166.7	-65.2	-15.1	0	0	0	109	L662	L662-N725 HydrophobicContact CD1-CB 3.93Å
726	V	74.9	Confident	61.3	Low	43 Å²	43	75.1 Å²	75.1	26%	0.261	46%	0.46	S	S	.	.			trans	-142	134.1	176.5	-135.2	0	0	0	0	111.1	L724 Q746 T747	L724-V726 HydrophobicContact CB-CG2 3.97Å; L724-V726 WeakPolarHBondContact O-CG2 3.48Å; L724-V726 PolarHBondContact O-N 3.25Å; V726-Q746 HydrophobicContact CB-CG 4.1Å; V726-Q746 VanDerWaalsContact CG1-CD 3.45Å; V726-Q746 HydrophobicContact CG1-CG 3.34Å; V726-T747 VanDerWaalsContact CG1-O 3.32Å; V726-T747 WeakPolarHBondContact CG1-O 3.43Å
727	F	84.1	Confident	63	Low	16 Å²	16	76.8 Å²	76.8	7%	0.07	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.8	-173.3	-60.4	-93.5	0	0	0	109.6	L662 C665 T747 L750 R753	L662-F727 HydrophobicContact CD1-CE1 4.09Å; L662-F727 HydrophobicContact CD1-CE2 4.35Å; L662-F727 HydrophobicContact CD1-CZ 4Å; C665-F727 HydrophobicContact CB-CE1 4.45Å; F727-T747 PolarHBondContact N-O 3.26Å; F727-T747 PolarHBondContact O-N 3.18Å; F727-T747 PolarHBondContact O-OG1 3.09Å; F727-L750 HydrophobicContact CD1-CB 4.27Å; F727-L750 HydrophobicContact CD1-CD1 4Å; F727-L750 HydrophobicContact CE1-CB 3.83Å; F727-L750 HydrophobicContact CE1-CD1 3.92Å; F727-L750 HydrophobicContact CE1-CG 4.44Å; F727-L750 HydrophobicContact CE2-CB 4.44Å; F727-L750 HydrophobicContact CZ-CB 3.93Å; F727-R753 HydrophobicContact CB-CB 4.01Å
728	S	86.5	Confident	65	Low	27 Å²	27	71.3 Å²	71.3	19%	0.189	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	155.1	-178.8	53.9	0	0	0	0	113.1	H659 F745 R753	H659-S728 PolarHBondContact CD2-OG 2.58Å; H659-S728 VanDerWaalsContact CD2-OG 3.25Å; S728-F745 VanDerWaalsContact CA-O 3.24Å; S728-F745 WeakPolarHBondContact CA-O 3.47Å; S728-F745 WeakPolarHBondContact CB-O 3.42Å; S728-R753 VanDerWaalsContact O-CD 3.31Å; S728-R753 WeakPolarHBondContact O-CD 3.31Å
729	F	89.2	Confident	67.1	Low	0 Å²	0	66 Å²	66	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.2	168.8	70	-86.8	0	0	0	110.7	L595 V656 E657 L731 F745 T747 R753 W756 L757 L760	L595-F729 HydrophobicContact CD1-CE1 4.05Å; L595-F729 HydrophobicContact CD1-CZ 3.67Å; V656-F729 HydrophobicContact CG1-CD2 3.73Å; V656-F729 HydrophobicContact CG1-CE2 4.36Å; E657-F729 WeakPolarHBondContact O-CA 3.38Å; F729-L731 HydrophobicContact CE2-CB 4.47Å; F729-F745 HydrophobicContact CD1-CB 4.06Å; F729-F745 HydrophobicContact CD2-CD2 4.48Å; F729-F745 HydrophobicContact CE1-CB 3.7Å; F729-F745 HydrophobicContact CE2-CB 4.17Å; F729-F745 AromaticContact CE2-CD2 3.8Å; F729-F745 HydrophobicContact CE2-CD2 3.8Å; F729-F745 HydrophobicContact CE2-CG 4.37Å; F729-F745 HydrophobicContact CG-CB 4.47Å; F729-F745 HydrophobicContact CZ-CB 3.77Å; F729-F745 AromaticContact CZ-CD2 3.94Å; F729-F745 HydrophobicContact CZ-CD2 3.94Å; F729-F745 HydrophobicContact CZ-CG 4.11Å; F729-F745 PolarHBondContact N-O 2.96Å; F729-F745 VanDerWaalsContact N-O 3.08Å; F729-F745 PolarHBondContact O-N 2.83Å; F729-T747 HydrophobicContact CE1-CG2 4.45Å; F729-R753 HydrophobicContact CB-CG 4.49Å; F729-R753 HydrophobicContact CD1-CG 4.02Å; F729-W756 HydrophobicContact CE1-CB 4.25Å; F729-W756 HydrophobicContact CZ-CB 4.09Å; F729-L757 HydrophobicContact CB-CD2 3.8Å; F729-L757 HydrophobicContact CD2-CD2 3.97Å; F729-L757 HydrophobicContact CG-CD2 3.88Å; F729-L760 HydrophobicContact CE2-CD1 3.83Å; F729-L760 HydrophobicContact CZ-CD1 4.22Å
730	I	89.1	Confident	69.9	Low	15 Å²	15	65.4 Å²	65.4	8%	0.077	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126	177	-58.2	174.4	0	0	0	107.5	V656 E657 I732 Q742 Y743	V656-I730 WeakPolarHBondContact CA-O 3.41Å; V656-I730 WeakPolarHBondContact CG1-O 3.26Å; E657-I730 HydrophobicContact CB-CB 4.27Å; E657-I730 PolarHBondContact N-O 3.05Å; E657-I730 PolarHBondContact O-N 2.81Å; I730-I732 HydrophobicContact CG2-CD1 4.45Å; I730-I732 HydrophobicContact CG2-CG1 3.91Å; I730-Q742 HydrophobicContact CG2-CG 3.53Å; I730-Q742 VanDerWaalsContact CG2-NE2 3.33Å; I730-Y743 WeakPolarHBondContact CA-O 3.35Å
731	L	90.4	Very high	72.6	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.2	168.2	173.3	69.8	0	0	0	108.5	L632 I634 I654 V656 F729 M733 Y743 F745	L632-L731 HydrophobicContact CD2-CD1 4.3Å; L632-L731 HydrophobicContact CD2-CD2 3.56Å; I634-L731 HydrophobicContact CD1-CD2 4.1Å; I654-L731 HydrophobicContact CB-CD1 4.47Å; I654-L731 HydrophobicContact CG1-CD1 4.28Å; I654-L731 HydrophobicContact CG2-CD1 3.55Å; V656-L731 HydrophobicContact CG2-CD1 3.86Å; F729-L731 HydrophobicContact CE2-CB 4.47Å; L731-M733 HydrophobicContact CD2-CE 4.13Å; L731-Y743 HydrophobicContact CD2-CD2 4.5Å; L731-Y743 PolarHBondContact N-O 3.48Å; L731-Y743 PolarHBondContact O-N 3.13Å; L731-F745 HydrophobicContact CB-CD2 4.14Å; L731-F745 HydrophobicContact CB-CE2 3.98Å; L731-F745 HydrophobicContact CD2-CE2 3.76Å
732	I	89.4	Confident	75.4	Confident	6 Å²	6	56.5 Å²	56.5	3%	0.031	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.1	175.2	-52.6	176.8	0	0	0	107.7	I654 H655 I730 R740 Q742	I654-I732 WeakPolarHBondContact CA-O 3.42Å; H655-I732 HydrophobicContact CB-CB 4.38Å; H655-I732 PolarHBondContact N-O 2.79Å; H655-I732 PolarHBondContact O-N 2.84Å; I730-I732 HydrophobicContact CG2-CD1 4.45Å; I730-I732 HydrophobicContact CG2-CG1 3.91Å; I732-R740 HydrophobicContact CG2-CG 4.26Å; I732-Q742 HydrophobicContact CG1-CG 4.32Å
733	M	87.6	Confident	78.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.6	171	-69.8	172.6	166.5	0	0	108.6	L632 I634 C649 Y653 I654 L731 R740 V741 Y743	L632-M733 HydrophobicContact CD2-CE 3.85Å; L632-M733 HydrophobicContact CG-CE 4.3Å; I634-M733 HydrophobicContact CD1-CE 3.6Å; I634-M733 HydrophobicContact CD1-SD 4.24Å; I634-M733 HydrophobicContact CG1-CE 4.06Å; C649-M733 HydrophobicContact CB-CB 4.39Å; C649-M733 HydrophobicContact CB-CE 3.79Å; C649-M733 HydrophobicContact CB-CG 3.89Å; C649-M733 HydrophobicContact CB-SD 3.76Å; Y653-M733 WeakPolarHBondContact O-CA 3.39Å; I654-M733 HydrophobicContact CD1-CE 4.29Å; I654-M733 HydrophobicContact CG1-CG 4Å; L731-M733 HydrophobicContact CD2-CE 4.13Å; M733-R740 WeakPolarHBondContact O-CA 3.44Å; M733-V741 PolarHBondContact N-O 3.36Å; M733-V741 PolarHBondContact O-N 3.06Å; M733-Y743 HydrophobicContact SD-CD2 4.36Å; M733-Y743 HydrophobicContact SD-CE2 3.82Å
734	E	84.9	Confident	81	Confident	73 Å²	73	48.8 Å²	48.8	34%	0.341	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	115.4	179.4	-173	163.2	-158.8	0	0	110.4	Y653 R740	Y653-E734 WeakPolarHBondContact CB-O 3.45Å; Y653-E734 PolarHBondContact O-N 2.77Å; E734-R740 HydrophobicContact CB-CB 4.41Å; E734-R740 HydrophobicContact CB-CG 4.25Å; E734-R740 HydrophobicContact CG-CB 4.12Å; E734-R740 HydrophobicContact CG-CG 4.27Å; E734-R740 IonicContact OE1-NH1 2.84Å; E734-R740 VanDerWaalsContact OE2-CD 3.26Å; E734-R740 WeakPolarHBondContact OE2-CD 3.36Å; E734-R740 IonicContact OE2-CZ 3.8Å; E734-R740 VanDerWaalsContact OE2-CZ 3.31Å; E734-R740 IonicContact OE2-NE 2.75Å; E734-R740 PolarHBondContact OE2-NE 3.42Å; E734-R740 IonicContact OE2-NH1 3.12Å; E734-R740 PolarHBondContact OE2-NH1 2.34Å
735	G	80.7	Confident	82.9	Confident	19 Å²	19	41.1 Å²	41.1	20%	0.196	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	171.8	-175.1	0	0	0	0	0	112.4	D737 H738	G735-D737 VanDerWaalsContact C-N 3.32Å; G735-D737 PolarHBondContact O-N 3.43Å; G735-H738 PolarHBondContact N-O 3.2Å; G735-H738 PolarHBondContact O-N 3.18Å; G735-H738 VanDerWaalsContact O-N 3.08Å
736	P	76.4	Confident	84.3	Confident	97 Å²	97	36.5 Å²	36.5	63%	0.63	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-39	-171.6	23.5	-33.6	0	0	0	113.4	Y653	Y653-P736 HydrophobicContact CE1-CG 4.44Å; Y653-P736 HydrophobicContact CE2-CG 4.32Å; Y653-P736 VanDerWaalsContact CZ-CD 3.45Å
737	D	70.4	Confident	85	Confident	165 Å²	165	34.7 Å²	34.7	88%	0.882	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	7.9	177.3	-56.3	-52.9	0	0	0	112.8	G735	G735-D737 VanDerWaalsContact C-N 3.32Å; G735-D737 PolarHBondContact O-N 3.43Å
738	H	70.3	Confident	85.1	Confident	29 Å²	29	41.7 Å²	41.7	13%	0.134	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	112.1	-169	-164.6	-57.2	0	0	0	110.9	D647 C649 G735	D647-H738 IonicContact OD1-CE1 3.76Å; D647-H738 IonicContact OD1-NE2 3.5Å; D647-H738 PolarHBondContact OD1-NE2 3.03Å; D647-H738 IonicContact OD2-CE1 3.31Å; D647-H738 IonicContact OD2-NE2 2.65Å; C649-H738 PolarHBondContact SG-CD2 3.14Å; G735-H738 PolarHBondContact N-O 3.2Å; G735-H738 PolarHBondContact O-N 3.18Å; G735-H738 VanDerWaalsContact O-N 3.08Å
739	P	77.5	Confident	85.2	Confident	59 Å²	59	43 Å²	43	38%	0.383	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	150.6	-179.7	27.9	-35.1	0	0	0	110.5	V741	P739-V741 PolarHBondContact O-N 2.99Å
740	R	85.1	Confident	85.1	Confident	88 Å²	88	43.1 Å²	43.1	33%	0.332	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	110.4	178.1	-171.4	180	179.2	130.8	-7.1	110.6	V603 I732 M733 E734	V603-R740 HydrophobicContact CB-CB 4.37Å; V603-R740 HydrophobicContact CG2-CB 4.34Å; V603-R740 HydrophobicContact CG2-CG 4.2Å; V603-R740 PolarHBondContact N-O 3.42Å; I732-R740 HydrophobicContact CG2-CG 4.26Å; M733-R740 WeakPolarHBondContact O-CA 3.44Å; E734-R740 HydrophobicContact CB-CB 4.41Å; E734-R740 HydrophobicContact CB-CG 4.25Å; E734-R740 HydrophobicContact CG-CB 4.12Å; E734-R740 HydrophobicContact CG-CG 4.27Å; E734-R740 IonicContact OE1-NH1 2.84Å; E734-R740 VanDerWaalsContact OE2-CD 3.26Å; E734-R740 WeakPolarHBondContact OE2-CD 3.36Å; E734-R740 IonicContact OE2-CZ 3.8Å; E734-R740 VanDerWaalsContact OE2-CZ 3.31Å; E734-R740 IonicContact OE2-NE 2.75Å; E734-R740 PolarHBondContact OE2-NE 3.42Å; E734-R740 IonicContact OE2-NH1 3.12Å; E734-R740 PolarHBondContact OE2-NH1 2.34Å
741	V	86.2	Confident	85.2	Confident	3 Å²	3	42.7 Å²	42.7	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.9	174.9	-175.3	0	0	0	0	109.4	M600 N602 M733 P739 Y743	M600-V741 HydrophobicContact CG-CG1 3.88Å; N602-V741 HydrophobicContact CB-CG2 4.49Å; M733-V741 PolarHBondContact N-O 3.36Å; M733-V741 PolarHBondContact O-N 3.06Å; P739-V741 PolarHBondContact O-N 2.99Å; V741-Y743 HydrophobicContact CB-CE2 4.05Å; V741-Y743 HydrophobicContact CG1-CD2 3.92Å; V741-Y743 HydrophobicContact CG1-CE1 4.37Å; V741-Y743 HydrophobicContact CG1-CE2 3.36Å
742	Q	89.2	Confident	85.2	Confident	54 Å²	54	46 Å²	46	25%	0.252	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.2	177	-178.8	179.8	5.9	0	0	109.7	M600 T601 I730 I732	M600-Q742 WeakPolarHBondContact CA-O 3.47Å; T601-Q742 PolarHBondContact N-O 2.9Å; T601-Q742 PolarHBondContact O-N 3.47Å; I730-Q742 HydrophobicContact CG2-CG 3.53Å; I730-Q742 VanDerWaalsContact CG2-NE2 3.33Å; I732-Q742 HydrophobicContact CG1-CG 4.32Å
743	Y	89.6	Confident	85.2	Confident	10 Å²	10	46.1 Å²	46.1	4%	0.039	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128	177.6	-67.7	-85.2	0	0	0	110	L597 M600 I634 D647 I730 L731 M733 V741 F745	L597-Y743 HydrophobicContact CD1-CD1 3.8Å; L597-Y743 HydrophobicContact CD1-CG 4.48Å; L597-Y743 HydrophobicContact CD2-CD1 4.06Å; L597-Y743 HydrophobicContact CD2-CE1 4.38Å; M600-Y743 HydrophobicContact CB-CD1 4.26Å; M600-Y743 HydrophobicContact CB-CE1 4.23Å; M600-Y743 HydrophobicContact CG-CD1 4Å; M600-Y743 HydrophobicContact CG-CE1 3.58Å; M600-Y743 HydrophobicContact SD-CE1 3.76Å; I634-Y743 HydrophobicContact CD1-CD1 4.03Å; I634-Y743 HydrophobicContact CD1-CD2 3.62Å; I634-Y743 HydrophobicContact CD1-CE1 3.9Å; I634-Y743 HydrophobicContact CD1-CE2 3.45Å; I634-Y743 VanDerWaalsContact CD1-CE2 3.45Å; I634-Y743 HydrophobicContact CD1-CG 3.91Å; D647-Y743 WeakPolarHBondContact CB-OH 3.44Å; D647-Y743 VanDerWaalsContact CG-OH 3.28Å; D647-Y743 WeakPolarHBondContact OD2-CE2 3.33Å; D647-Y743 PolarHBondContact OD2-OH 3.38Å; I730-Y743 WeakPolarHBondContact CA-O 3.35Å; L731-Y743 HydrophobicContact CD2-CD2 4.5Å; L731-Y743 PolarHBondContact N-O 3.48Å; L731-Y743 PolarHBondContact O-N 3.13Å; M733-Y743 HydrophobicContact SD-CD2 4.36Å; M733-Y743 HydrophobicContact SD-CE2 3.82Å; V741-Y743 HydrophobicContact CB-CE2 4.05Å; V741-Y743 HydrophobicContact CG1-CD2 3.92Å; V741-Y743 HydrophobicContact CG1-CE1 4.37Å; V741-Y743 HydrophobicContact CG1-CE2 3.36Å; Y743-F745 HydrophobicContact CD1-CZ 4.39Å; Y743-F745 HydrophobicContact CG-CE2 4.29Å; Y743-F745 HydrophobicContact CG-CZ 4.32Å
744	V	90	Very high	85.3	Confident	29 Å²	29	46.5 Å²	46.5	18%	0.176	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	107.9	176.4	-173.2	0	0	0	0	109.7	L598 T599	L598-V744 HydrophobicContact CB-CB 4.45Å; L598-V744 HydrophobicContact CB-CG1 4.45Å; L598-V744 HydrophobicContact CD1-CG1 4.23Å; L598-V744 PolarHBondContact N-O 3.17Å; T599-V744 PolarHBondContact O-N 3.26Å
745	F	90.7	Very high	85.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	150.4	-179.4	-68.6	-69.1	0	0	0	112.4	L595 R596 L597 A623 L625 I634 S728 F729 L731 Y743	L595-F745 HydrophobicContact CB-CD1 3.67Å; L595-F745 HydrophobicContact CB-CE1 4.18Å; L595-F745 HydrophobicContact CB-CG 4.38Å; L595-F745 HydrophobicContact CD1-CB 4.18Å; L595-F745 HydrophobicContact CD1-CD1 3.92Å; L595-F745 HydrophobicContact CD1-CD2 4.41Å; L595-F745 HydrophobicContact CD1-CE1 4.42Å; L595-F745 HydrophobicContact CD1-CG 3.91Å; L595-F745 HydrophobicContact CG-CD1 4.47Å; R596-F745 CarbonylContact O-C 3.59Å; R596-F745 WeakPolarHBondContact O-CA 3.44Å; L597-F745 HydrophobicContact CB-CD1 4.26Å; L597-F745 HydrophobicContact CB-CE1 4.03Å; L597-F745 HydrophobicContact CD1-CD1 4.32Å; L597-F745 HydrophobicContact CD1-CE1 4.02Å; L597-F745 HydrophobicContact CD1-CZ 4.38Å; A623-F745 HydrophobicContact CB-CE1 4.34Å; L625-F745 HydrophobicContact CD1-CE1 3.88Å; L625-F745 HydrophobicContact CD1-CZ 3.93Å; L625-F745 HydrophobicContact CD2-CE2 4.22Å; L625-F745 HydrophobicContact CD2-CZ 4.07Å; I634-F745 HydrophobicContact CD1-CZ 4.27Å; S728-F745 VanDerWaalsContact CA-O 3.24Å; S728-F745 WeakPolarHBondContact CA-O 3.47Å; S728-F745 WeakPolarHBondContact CB-O 3.42Å; F729-F745 HydrophobicContact CD1-CB 4.06Å; F729-F745 HydrophobicContact CD2-CD2 4.48Å; F729-F745 HydrophobicContact CE1-CB 3.7Å; F729-F745 HydrophobicContact CE2-CB 4.17Å; F729-F745 AromaticContact CE2-CD2 3.8Å; F729-F745 HydrophobicContact CE2-CD2 3.8Å; F729-F745 HydrophobicContact CE2-CG 4.37Å; F729-F745 HydrophobicContact CG-CB 4.47Å; F729-F745 HydrophobicContact CZ-CB 3.77Å; F729-F745 AromaticContact CZ-CD2 3.94Å; F729-F745 HydrophobicContact CZ-CD2 3.94Å; F729-F745 HydrophobicContact CZ-CG 4.11Å; F729-F745 PolarHBondContact N-O 2.96Å; F729-F745 VanDerWaalsContact N-O 3.08Å; F729-F745 PolarHBondContact O-N 2.83Å; L731-F745 HydrophobicContact CB-CD2 4.14Å; L731-F745 HydrophobicContact CB-CE2 3.98Å; L731-F745 HydrophobicContact CD2-CE2 3.76Å; Y743-F745 HydrophobicContact CD1-CZ 4.39Å; Y743-F745 HydrophobicContact CG-CE2 4.29Å; Y743-F745 HydrophobicContact CG-CZ 4.32Å
746	Q	88.9	Confident	86.1	Confident	34 Å²	34	42.8 Å²	42.8	16%	0.159	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.6	-179.9	-176.3	175.5	74.6	0	0	111.1	R596 L598 V726	R596-Q746 HydrophobicContact CB-CB 4.3Å; R596-Q746 PolarHBondContact N-O 3.43Å; R596-Q746 PolarHBondContact O-N 3.46Å; L598-Q746 HydrophobicContact CD1-CB 4.04Å; L598-Q746 HydrophobicContact CD2-CB 4.27Å; L598-Q746 HydrophobicContact CG-CB 4.06Å; V726-Q746 HydrophobicContact CB-CG 4.1Å; V726-Q746 VanDerWaalsContact CG1-CD 3.45Å; V726-Q746 HydrophobicContact CG1-CG 3.34Å
747	T	88.3	Confident	86.7	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.9	-174	52.4	0	0	0	0	111.4	L595 V726 F727 F729 K752 R753	L595-T747 HydrophobicContact CD2-CG2 3.48Å; L595-T747 VanDerWaalsContact CD2-CG2 3.48Å; V726-T747 VanDerWaalsContact CG1-O 3.32Å; V726-T747 WeakPolarHBondContact CG1-O 3.43Å; F727-T747 PolarHBondContact N-O 3.26Å; F727-T747 PolarHBondContact O-N 3.18Å; F727-T747 PolarHBondContact O-OG1 3.09Å; F729-T747 HydrophobicContact CE1-CG2 4.45Å; T747-K752 HydrophobicContact CG2-CB 4.37Å; T747-K752 HydrophobicContact CG2-CD 4.38Å; T747-K752 HydrophobicContact CG2-CG 3.9Å; T747-R753 WeakPolarHBondContact OG1-CB 3.4Å
748	E	85.7	Confident	87.4	Confident	163 Å²	163	31.5 Å²	31.5	76%	0.762	15%	0.154	S	C	*	.	S	Bend	trans	-82.9	-21.1	-172.2	-67.1	164.9	-156.2	0	0	113.7
749	T	88.7	Confident	88.2	Confident	55 Å²	55	31.2 Å²	31.2	34%	0.337	16%	0.159	S	C	.	.	S	Bend	trans	-133.6	156.7	-176.7	68.1	0	0	0	0	111.7	S751 K752 R753 D811	T749-S751 WeakPolarHBondContact CB-OG 3.39Å; T749-S751 PolarHBondContact OG1-OG 2.65Å; T749-K752 PolarHBondContact O-N 2.7Å; T749-K752 VanDerWaalsContact OG1-CB 3.31Å; T749-K752 WeakPolarHBondContact OG1-CB 3.47Å; T749-K752 PolarHBondContact OG1-N 2.7Å; T749-R753 PolarHBondContact O-N 2.94Å; T749-D811 WeakPolarHBondContact CB-OD2 3.47Å
750	L	88.4	Confident	88.6	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-48	176	178.2	64.5	0	0	0	110.1	C665 I667 F727 K752 R753 E754 L809 S810 D811	C665-L750 HydrophobicContact CB-CD2 4.32Å; I667-L750 HydrophobicContact CD1-CD1 4.36Å; I667-L750 HydrophobicContact CG1-CD1 4.42Å; I667-L750 HydrophobicContact CG1-CD2 4.29Å; F727-L750 HydrophobicContact CD1-CB 4.27Å; F727-L750 HydrophobicContact CD1-CD1 4Å; F727-L750 HydrophobicContact CE1-CB 3.83Å; F727-L750 HydrophobicContact CE1-CD1 3.92Å; F727-L750 HydrophobicContact CE1-CG 4.44Å; F727-L750 HydrophobicContact CE2-CB 4.44Å; F727-L750 HydrophobicContact CZ-CB 3.93Å; L750-K752 PolarHBondContact O-N 2.67Å; L750-R753 CarbonylContact O-C 3.57Å; L750-R753 WeakPolarHBondContact O-CA 3.35Å; L750-R753 WeakPolarHBondContact O-CB 3.4Å; L750-R753 PolarHBondContact O-N 2.93Å; L750-E754 HydrophobicContact CD1-CG 3.84Å; L750-E754 WeakPolarHBondContact CD1-OE1 3.46Å; L750-E754 HydrophobicContact CG-CG 4.07Å; L750-E754 WeakPolarHBondContact O-CG 3.38Å; L750-E754 PolarHBondContact O-N 2.95Å; L750-L809 HydrophobicContact CD2-CB 4.23Å; L750-L809 HydrophobicContact CD2-CD2 4.4Å; L750-S810 VanDerWaalsContact CD2-OG 3.28Å; L750-S810 WeakPolarHBondContact CD2-OG 3.34Å; L750-D811 PolarHBondContact N-OD2 3.12Å
751	S	90.4	Very high	88.3	Confident	6 Å²	6	25.9 Å²	25.9	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-49.6	-48.8	172.6	47.2	0	0	0	0	113.3	T749 R753 E754 R755 D811 W813	T749-S751 WeakPolarHBondContact CB-OG 3.39Å; T749-S751 PolarHBondContact OG1-OG 2.65Å; S751-R753 VanDerWaalsContact C-N 3.27Å; S751-R753 PolarHBondContact O-N 3.41Å; S751-E754 PolarHBondContact O-N 2.95Å; S751-R755 WeakPolarHBondContact O-CB 3.25Å; S751-R755 WeakPolarHBondContact O-CG 3.04Å; S751-R755 PolarHBondContact O-N 3.03Å; S751-D811 WeakPolarHBondContact CB-OD2 3.37Å; S751-D811 PolarHBondContact N-OD2 2.81Å; S751-D811 PolarHBondContact OG-OD2 2.96Å; S751-W813 VanDerWaalsContact CB-CG 3.5Å
752	K	90.4	Very high	87.3	Confident	70 Å²	70	32.3 Å²	32.3	30%	0.304	18%	0.179	S	C	.	.	H	α-helix	trans	-66.4	-30.2	179.1	-169.1	168.1	-178.8	175.2	0	111.6	D594 T747 T749 L750 W756	D594-K752 WeakPolarHBondContact O-CE 3.35Å; D594-K752 PolarHBondContact O-NZ 3.4Å; T747-K752 HydrophobicContact CG2-CB 4.37Å; T747-K752 HydrophobicContact CG2-CD 4.38Å; T747-K752 HydrophobicContact CG2-CG 3.9Å; T749-K752 PolarHBondContact O-N 2.7Å; T749-K752 VanDerWaalsContact OG1-CB 3.31Å; T749-K752 WeakPolarHBondContact OG1-CB 3.47Å; T749-K752 PolarHBondContact OG1-N 2.7Å; L750-K752 PolarHBondContact O-N 2.67Å; K752-W756 VanDerWaalsContact O-CD1 3.27Å
753	R	90.2	Very high	86.1	Confident	9 Å²	9	31.7 Å²	31.7	3%	0.034	19%	0.187	C	C	.	.	H	α-helix	trans	-69.2	-61.6	169.7	-167	-177.7	63.5	175.4	7.7	111.5	H659 F727 S728 F729 T747 T749 L750 S751 R755 W756 L757	H659-R753 PolarHBondContact O-NH1 3.39Å; F727-R753 HydrophobicContact CB-CB 4.01Å; S728-R753 VanDerWaalsContact O-CD 3.31Å; S728-R753 WeakPolarHBondContact O-CD 3.31Å; F729-R753 HydrophobicContact CB-CG 4.49Å; F729-R753 HydrophobicContact CD1-CG 4.02Å; T747-R753 WeakPolarHBondContact OG1-CB 3.4Å; T749-R753 PolarHBondContact O-N 2.94Å; L750-R753 CarbonylContact O-C 3.57Å; L750-R753 WeakPolarHBondContact O-CA 3.35Å; L750-R753 WeakPolarHBondContact O-CB 3.4Å; L750-R753 PolarHBondContact O-N 2.93Å; S751-R753 VanDerWaalsContact C-N 3.27Å; S751-R753 PolarHBondContact O-N 3.41Å; R753-R755 VanDerWaalsContact C-N 3.26Å; R753-R755 PolarHBondContact O-N 2.92Å; R753-W756 PolarHBondContact O-N 2.63Å; R753-L757 HydrophobicContact CG-CD1 3.7Å; R753-L757 HydrophobicContact CG-CG 4.06Å; R753-L757 WeakPolarHBondContact O-CG 3.48Å; R753-L757 PolarHBondContact O-N 3.04Å
754	E	88.7	Confident	84.9	Confident	8 Å²	8	33.3 Å²	33.3	4%	0.037	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-35.6	-171.5	-59.2	-43.3	129.1	0	0	112.1	I667 L750 S751 W756 L757 D758 L809	I667-E754 VanDerWaalsContact CD1-CD 3.47Å; I667-E754 HydrophobicContact CD1-CG 3.9Å; I667-E754 HydrophobicContact CG1-CG 4.4Å; L750-E754 HydrophobicContact CD1-CG 3.84Å; L750-E754 WeakPolarHBondContact CD1-OE1 3.46Å; L750-E754 HydrophobicContact CG-CG 4.07Å; L750-E754 WeakPolarHBondContact O-CG 3.38Å; L750-E754 PolarHBondContact O-N 2.95Å; S751-E754 PolarHBondContact O-N 2.95Å; E754-W756 PolarHBondContact O-N 2.99Å; E754-L757 CarbonylContact O-C 3.55Å; E754-L757 PolarHBondContact O-N 3.45Å; E754-L757 VanDerWaalsContact O-N 3.15Å; E754-D758 WeakPolarHBondContact O-CB 3.46Å; E754-D758 PolarHBondContact O-N 3.24Å; E754-L809 HydrophobicContact CB-CD1 4.02Å; E754-L809 HydrophobicContact CB-CD2 4.4Å; E754-L809 HydrophobicContact CG-CD1 4.23Å; E754-L809 HydrophobicContact CG-CD2 4.04Å
755	R	91.1	Very high	83.5	Confident	11 Å²	11	32.1 Å²	32.1	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-34.5	176.1	-72.1	176.3	60.8	-171.6	-9.8	114	S751 R753 E791 D793 E794 W825	S751-R755 WeakPolarHBondContact O-CB 3.25Å; S751-R755 WeakPolarHBondContact O-CG 3.04Å; S751-R755 PolarHBondContact O-N 3.03Å; R753-R755 VanDerWaalsContact C-N 3.26Å; R753-R755 PolarHBondContact O-N 2.92Å; R755-E791 IonicContact CZ-OE2 3.9Å; R755-E791 IonicContact NH2-OE2 3.95Å; R755-E791 PolarHBondContact NH2-OE2 3.44Å; R755-D793 WeakPolarHBondContact CB-OD2 3.32Å; R755-D793 IonicContact CZ-OD1 2.66Å; R755-D793 IonicContact CZ-OD2 2.91Å; R755-D793 IonicContact NE-OD1 3.17Å; R755-D793 IonicContact NE-OD2 3.76Å; R755-D793 PolarHBondContact NE-OD2 2.67Å; R755-D793 VanDerWaalsContact NH2-CG 3.29Å; R755-D793 IonicContact NH2-OD1 3.1Å; R755-D793 PolarHBondContact NH2-OD1 2.84Å; R755-D793 IonicContact NH2-OD2 3.64Å; R755-D793 PolarHBondContact NH2-OD2 2.97Å; R755-D793 VanDerWaalsContact NH2-OD2 3.12Å; R755-E794 IonicContact CZ-OE1 3.43Å; R755-E794 IonicContact NH1-OE1 2.8Å; R755-E794 PolarHBondContact NH1-OE1 3.08Å; R755-E794 IonicContact NH2-OE1 2.93Å; R755-E794 PolarHBondContact NH2-OE1 3.22Å; R755-W825 HydrophobicContact CG-CB 4.4Å; R755-W825 HydrophobicContact CG-CD2 3.66Å; R755-W825 HydrophobicContact CG-CE3 4.28Å; R755-W825 HydrophobicContact CG-CG 3.69Å; R755-W825 HydrophobicContact CG-CZ2 4.37Å
756	W	91.1	Very high	81.7	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-73	-39.8	169.7	-86.5	104.1	0	0	0	111.6	K591 L595 L625 L627 F729 K752 R753 E754 D758 G759 L760	K591-W756 HydrophobicContact CB-CH2 4.33Å; K591-W756 HydrophobicContact CB-CZ3 4.31Å; K591-W756 HydrophobicContact CD-CD2 3.79Å; K591-W756 HydrophobicContact CD-CE3 4.08Å; K591-W756 HydrophobicContact CD-CG 4.13Å; K591-W756 HydrophobicContact CD-CH2 4.47Å; K591-W756 HydrophobicContact CD-CZ2 4.23Å; K591-W756 HydrophobicContact CD-CZ3 4.42Å; K591-W756 HydrophobicContact CG-CD2 4.47Å; K591-W756 HydrophobicContact CG-CH2 4.12Å; K591-W756 HydrophobicContact CG-CZ2 4.07Å; K591-W756 HydrophobicContact CG-CZ3 4.37Å; L595-W756 HydrophobicContact CD1-CD2 4.21Å; L595-W756 HydrophobicContact CD1-CG 4.3Å; L625-W756 HydrophobicContact CB-CH2 3.38Å; L625-W756 HydrophobicContact CB-CZ2 4.02Å; L625-W756 HydrophobicContact CB-CZ3 3.81Å; L625-W756 HydrophobicContact CD2-CE3 4.44Å; L625-W756 HydrophobicContact CD2-CH2 4.41Å; L625-W756 HydrophobicContact CD2-CZ3 4.13Å; L627-W756 HydrophobicContact CB-CZ3 3.98Å; F729-W756 HydrophobicContact CE1-CB 4.25Å; F729-W756 HydrophobicContact CZ-CB 4.09Å; K752-W756 VanDerWaalsContact O-CD1 3.27Å; R753-W756 PolarHBondContact O-N 2.63Å; E754-W756 PolarHBondContact O-N 2.99Å; W756-D758 PolarHBondContact O-N 2.79Å; W756-G759 PolarHBondContact O-N 2.9Å; W756-L760 HydrophobicContact CB-CD1 4.42Å; W756-L760 HydrophobicContact CE3-CD1 4.13Å; W756-L760 HydrophobicContact CE3-CG 4.33Å; W756-L760 VanDerWaalsContact O-CB 3.28Å; W756-L760 WeakPolarHBondContact O-CB 3.31Å; W756-L760 WeakPolarHBondContact O-CD1 3.45Å; W756-L760 WeakPolarHBondContact O-CG 3.36Å; W756-L760 PolarHBondContact O-N 3.19Å
757	L	89.1	Confident	80.1	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66	-35.1	179.3	-69.2	-176.9	0	0	0	113.3	V656 A658 F729 R753 E754 S761 R764	V656-L757 HydrophobicContact CB-CD2 4.48Å; V656-L757 HydrophobicContact CG1-CD2 3.35Å; A658-L757 HydrophobicContact CB-CD1 3.68Å; F729-L757 HydrophobicContact CB-CD2 3.8Å; F729-L757 HydrophobicContact CD2-CD2 3.97Å; F729-L757 HydrophobicContact CG-CD2 3.88Å; R753-L757 HydrophobicContact CG-CD1 3.7Å; R753-L757 HydrophobicContact CG-CG 4.06Å; R753-L757 WeakPolarHBondContact O-CG 3.48Å; R753-L757 PolarHBondContact O-N 3.04Å; E754-L757 CarbonylContact O-C 3.55Å; E754-L757 PolarHBondContact O-N 3.45Å; E754-L757 VanDerWaalsContact O-N 3.15Å; L757-S761 VanDerWaalsContact O-CB 3.29Å; L757-S761 WeakPolarHBondContact O-CB 3.23Å; L757-S761 PolarHBondContact O-N 2.85Å; L757-S761 VanDerWaalsContact O-N 3.17Å; L757-S761 PolarHBondContact O-OG 3.34Å; L757-R764 WeakPolarHBondContact O-CD 3.45Å; L757-R764 PolarHBondContact O-NE 2.92Å
758	D	85.8	Confident	78.5	Confident	26 Å²	26	33.9 Å²	33.9	14%	0.139	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-46.2	175.7	179.2	44	0	0	0	111.5	E754 W756 H765 K815 W825	E754-D758 WeakPolarHBondContact O-CB 3.46Å; E754-D758 PolarHBondContact O-N 3.24Å; W756-D758 PolarHBondContact O-N 2.79Å; D758-H765 IonicContact OD1-CD2 2.68Å; D758-H765 PolarHBondContact OD1-CD2 2.69Å; D758-H765 VanDerWaalsContact OD1-CD2 3.27Å; D758-K815 IonicContact OD1-NZ 3.24Å; D758-K815 PolarHBondContact OD1-NZ 3.47Å; D758-K815 IonicContact OD2-NZ 3.47Å; D758-K815 PolarHBondContact OD2-NZ 3.5Å; D758-W825 HydrophobicContact CB-CZ2 4.4Å; D758-W825 PolarHBondContact OD2-NE1 3.07Å
759	G	86.2	Confident	77	Confident	23 Å²	23	34.2 Å²	34.2	24%	0.237	20%	0.2	C	C	.	.	H	α-helix	trans	-71.8	-39.3	175.5	0	0	0	0	0	113.8	L627 W756 S761	L627-G759 VanDerWaalsContact CD2-C 3.48Å; W756-G759 PolarHBondContact O-N 2.9Å; G759-S761 VanDerWaalsContact C-N 3.3Å; G759-S761 PolarHBondContact O-N 3.35Å
760	L	87.3	Confident	75.3	Confident	8 Å²	8	38.9 Å²	38.9	4%	0.042	22%	0.223	C	C	.	.	S	Bend	trans	-80.4	-4.1	-177.7	-67.3	168.2	0	0	0	114.2	L627 L632 L651 V656 F729 W756	L627-L760 HydrophobicContact CD1-CD2 3.92Å; L627-L760 HydrophobicContact CD2-CD2 4.41Å; L627-L760 HydrophobicContact CD2-CG 4.48Å; L632-L760 HydrophobicContact CD1-CD2 4.09Å; L632-L760 HydrophobicContact CD2-CD2 3.69Å; L632-L760 HydrophobicContact CG-CD2 4.42Å; L651-L760 HydrophobicContact CD2-CD2 4.46Å; V656-L760 HydrophobicContact CG2-CB 3.88Å; F729-L760 HydrophobicContact CE2-CD1 3.83Å; F729-L760 HydrophobicContact CZ-CD1 4.22Å; W756-L760 HydrophobicContact CB-CD1 4.42Å; W756-L760 HydrophobicContact CE3-CD1 4.13Å; W756-L760 HydrophobicContact CE3-CG 4.33Å; W756-L760 VanDerWaalsContact O-CB 3.28Å; W756-L760 WeakPolarHBondContact O-CB 3.31Å; W756-L760 WeakPolarHBondContact O-CD1 3.45Å; W756-L760 WeakPolarHBondContact O-CG 3.36Å; W756-L760 PolarHBondContact O-N 3.19Å
761	S	78.2	Confident	73.8	Confident	27 Å²	27	39.1 Å²	39.1	19%	0.189	22%	0.224	C	C	.	.	S	Bend	trans	-142.6	91.3	-177.9	-57.4	0	0	0	0	109.5	L757 G759 G763 R764	L757-S761 VanDerWaalsContact O-CB 3.29Å; L757-S761 WeakPolarHBondContact O-CB 3.23Å; L757-S761 PolarHBondContact O-N 2.85Å; L757-S761 VanDerWaalsContact O-N 3.17Å; L757-S761 PolarHBondContact O-OG 3.34Å; G759-S761 VanDerWaalsContact C-N 3.3Å; G759-S761 PolarHBondContact O-N 3.35Å; S761-G763 PolarHBondContact O-N 2.77Å; S761-R764 VanDerWaalsContact O-CB 3.26Å; S761-R764 WeakPolarHBondContact O-CB 3.46Å; S761-R764 PolarHBondContact O-N 3.44Å; S761-R764 PolarHBondContact OG-NH2 3.43Å
762	C	65.8	Low	72.1	Confident	138 Å²	138	41.6 Å²	41.6	93%	0.932	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	129.2	179.7	-173	0	0	0	0	110.8	R764	C762-R764 PolarHBondContact O-N 3.23Å
763	G	63.2	Low	70	Confident	40 Å²	40	45.4 Å²	45.4	41%	0.412	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	1.9	-178.7	0	0	0	0	0	116.3	L678 S761 H765 G766	L678-G763 WeakPolarHBondContact CD2-O 3.44Å; S761-G763 PolarHBondContact O-N 2.77Å; G763-H765 PolarHBondContact O-N 2.83Å; G763-G766 WeakPolarHBondContact O-CA 3.18Å; G763-G766 PolarHBondContact O-N 3.05Å
764	R	64	Low	68.2	Low	44 Å²	44	49.3 Å²	49.3	17%	0.166	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-37	-175.2	175.9	175.5	-67.1	-97.9	-0.8	115.4	V656 L757 S761 C762	V656-R764 PolarHBondContact O-NH2 2.93Å; V656-R764 VanDerWaalsContact O-NH2 3.07Å; L757-R764 WeakPolarHBondContact O-CD 3.45Å; L757-R764 PolarHBondContact O-NE 2.92Å; S761-R764 VanDerWaalsContact O-CB 3.26Å; S761-R764 WeakPolarHBondContact O-CB 3.46Å; S761-R764 PolarHBondContact O-N 3.44Å; S761-R764 PolarHBondContact OG-NH2 3.43Å; C762-R764 PolarHBondContact O-N 3.23Å
765	H	62.4	Low	66.8	Low	4 Å²	4	50.2 Å²	50.2	2%	0.019	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	12.4	179.1	-69.4	-75.3	0	0	0	114.1	H669 D758 G763 I767 V807	H669-H765 AromaticContact CD2-ND1 3.71Å; H669-H765 PolarHBondContact CD2-O 2.99Å; D758-H765 IonicContact OD1-CD2 2.68Å; D758-H765 PolarHBondContact OD1-CD2 2.69Å; D758-H765 VanDerWaalsContact OD1-CD2 3.27Å; G763-H765 PolarHBondContact O-N 2.83Å; H765-I767 HydrophobicContact CB-CD1 4.04Å; H765-I767 HydrophobicContact CB-CG1 4.26Å; H765-I767 WeakPolarHBondContact O-CG1 3.41Å; H765-I767 PolarHBondContact O-N 3.01Å; H765-V807 HydrophobicContact CB-CG2 3.87Å
766	G	51	Low	65	Low	2 Å²	2	52.7 Å²	52.7	2%	0.021	32%	0.319	C	S	.	.			trans	69.7	32.5	171.3	0	0	0	0	0	115.2	R672 S673 G763 P768	R672-G766 CarbonylContact C-O 3.48Å; S673-G766 VanDerWaalsContact CA-O 3.29Å; S673-G766 WeakPolarHBondContact CA-O 3.13Å; S673-G766 VanDerWaalsContact CB-CA 3.42Å; S673-G766 PolarHBondContact N-O 3.35Å; G763-G766 WeakPolarHBondContact O-CA 3.18Å; G763-G766 PolarHBondContact O-N 3.05Å; G766-P768 WeakPolarHBondContact O-CD 3.4Å
767	I	57.2	Low	63.7	Low	30 Å²	30	61.4 Å²	61.4	15%	0.154	36%	0.359	C	S	.	.			trans	-104.1	94.5	-172.4	-52.5	168.5	0	0	0	109	H765 L771 L806 K815 R823	H765-I767 HydrophobicContact CB-CD1 4.04Å; H765-I767 HydrophobicContact CB-CG1 4.26Å; H765-I767 WeakPolarHBondContact O-CG1 3.41Å; H765-I767 PolarHBondContact O-N 3.01Å; I767-L771 HydrophobicContact CB-CD1 4.27Å; I767-L771 HydrophobicContact CG2-CD1 3.38Å; I767-L806 HydrophobicContact CD1-CB 4.24Å; I767-L806 HydrophobicContact CD1-CD1 3.76Å; I767-L806 HydrophobicContact CG1-CD1 4.26Å; I767-L806 HydrophobicContact CG2-CD1 3.93Å; I767-K815 HydrophobicContact CD1-CD 3.79Å; I767-R823 VanDerWaalsContact CG2-NH1 3.35Å
768	P	53.7	Low	63	Low	45 Å²	45	61.6 Å²	61.6	29%	0.292	36%	0.361	S	S	.	.			trans	-60.4	154.6	176	24.1	-34.3	0	0	0	112.3	G766 N770 L771 R823	G766-P768 WeakPolarHBondContact O-CD 3.4Å; P768-N770 PolarHBondContact O-N 3.37Å; P768-L771 HydrophobicContact CG-CD1 3.88Å; P768-L771 HydrophobicContact CG-CG 3.92Å; P768-R823 PolarHBondContact O-NH1 3.26Å
769	E	54.8	Low	62.9	Low	169 Å²	169	61.9 Å²	61.9	79%	0.79	36%	0.364	S	S	*	.	S	Bend	trans	-60.1	-49.1	-178.8	-63.1	-179.9	152.6	0	0	110.9	R823	E769-R823 PolarHBondContact O-NH2 3.11Å
770	N	52.8	Low	62.7	Low	154 Å²	154	62.9 Å²	62.9	82%	0.824	36%	0.362	S	S	*	.			trans	-99	93.7	178.2	-61.3	-50.6	0	0	0	110.8	P768	P768-N770 PolarHBondContact O-N 3.37Å
771	L	56.4	Low	62.8	Low	5 Å²	5	62.5 Å²	62.5	3%	0.026	36%	0.36	C	S	.	.			trans	-106.2	26.5	-172.6	-137.8	148.4	0	0	0	112.1	C671 I767 P768 L773 D774 I775	C671-L771 HydrophobicContact CB-CD2 4.31Å; I767-L771 HydrophobicContact CB-CD1 4.27Å; I767-L771 HydrophobicContact CG2-CD1 3.38Å; P768-L771 HydrophobicContact CG-CD1 3.88Å; P768-L771 HydrophobicContact CG-CG 3.92Å; L771-L773 PolarHBondContact O-N 2.78Å; L771-D774 HydrophobicContact CD2-CB 3.68Å; L771-D774 HydrophobicContact CG-CB 4.42Å; L771-D774 PolarHBondContact O-N 3.15Å; L771-I775 HydrophobicContact CB-CD1 4.18Å; L771-I775 HydrophobicContact CB-CG1 4.08Å; L771-I775 HydrophobicContact CD2-CB 4.4Å; L771-I775 HydrophobicContact CD2-CG1 3.56Å; L771-I775 HydrophobicContact CG-CG1 4.37Å; L771-I775 VanDerWaalsContact O-CG1 3.29Å; L771-I775 WeakPolarHBondContact O-CG1 3.28Å; L771-I775 PolarHBondContact O-N 2.67Å
772	G	54.4	Low	63.3	Low	58 Å²	58	63 Å²	63	60%	0.598	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-32	-155.6	0	0	0	0	0	117.1
773	L	46.7	Very low	64.5	Low	150 Å²	150	56.5 Å²	56.5	79%	0.785	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	-42.2	175.8	-70.3	167.8	0	0	0	111.6	L771 I775 C776	L771-L773 PolarHBondContact O-N 2.78Å; L773-I775 PolarHBondContact O-N 2.71Å; L773-I775 VanDerWaalsContact O-N 3.09Å; L773-C776 WeakPolarHBondContact O-CB 3.22Å; L773-C776 PolarHBondContact O-N 3.27Å
774	D	52.4	Low	65.7	Low	92 Å²	92	57 Å²	57	49%	0.492	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-62.1	-20.5	-176.1	-54.2	-18.9	0	0	0	113.7	L771 C776	L771-D774 HydrophobicContact CD2-CB 3.68Å; L771-D774 HydrophobicContact CG-CB 4.42Å; L771-D774 PolarHBondContact O-N 3.15Å; D774-C776 PolarHBondContact O-N 2.8Å
775	I	59.5	Low	66.8	Low	27 Å²	27	60.4 Å²	60.4	14%	0.138	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-57.9	-34.4	172.9	-78.8	170.5	0	0	0	111.4	L771 L773 E777 C778 N804 A817	L771-I775 HydrophobicContact CB-CD1 4.18Å; L771-I775 HydrophobicContact CB-CG1 4.08Å; L771-I775 HydrophobicContact CD2-CB 4.4Å; L771-I775 HydrophobicContact CD2-CG1 3.56Å; L771-I775 HydrophobicContact CG-CG1 4.37Å; L771-I775 VanDerWaalsContact O-CG1 3.29Å; L771-I775 WeakPolarHBondContact O-CG1 3.28Å; L771-I775 PolarHBondContact O-N 2.67Å; L773-I775 PolarHBondContact O-N 2.71Å; L773-I775 VanDerWaalsContact O-N 3.09Å; I775-E777 VanDerWaalsContact C-N 3.27Å; I775-E777 PolarHBondContact O-N 3.14Å; I775-C778 PolarHBondContact O-N 3.31Å; I775-C778 VanDerWaalsContact O-N 3.09Å; I775-N804 HydrophobicContact CG2-CB 3.84Å; I775-N804 VanDerWaalsContact CG2-CG 3.5Å; I775-N804 WeakPolarHBondContact CG2-ND2 3.4Å; I775-A817 HydrophobicContact CD1-CB 4.45Å
776	C	52.6	Low	67.9	Low	63 Å²	63	62.4 Å²	62.4	43%	0.426	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-68.5	-20.2	-168.5	-67	0	0	0	0	114.5	L773 D774	L773-C776 WeakPolarHBondContact O-CB 3.22Å; L773-C776 PolarHBondContact O-N 3.27Å; D774-C776 PolarHBondContact O-N 2.8Å
777	E	64.7	Low	69.7	Low	185 Å²	185	63.8 Å²	63.8	86%	0.864	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-87.6	-20	174.2	-61.6	-164.2	159.2	0	0	113.1	I775	I775-E777 VanDerWaalsContact C-N 3.27Å; I775-E777 PolarHBondContact O-N 3.14Å
778	C	74.8	Confident	70.9	Confident	4 Å²	4	63.6 Å²	63.6	3%	0.027	35%	0.348	C	S	.	.	S	Bend	trans	-79.5	137.4	-172.5	-59.4	0	0	0	0	111.2	F670 C671 I775	F670-C778 HydrophobicContact CB-CB 4.11Å; C671-C778 WeakPolarHBondContact CB-SG 3.38Å; C671-C778 WeakPolarHBondContact SG-CB 3.45Å; C671-C778 CovalentContact SG-SG 2.05Å; C671-C778 PolarHBondContact SG-SG 3.03Å; I775-C778 PolarHBondContact O-N 3.31Å; I775-C778 VanDerWaalsContact O-N 3.09Å
779	P	82.2	Confident	72.4	Confident	31 Å²	31	62.3 Å²	62.3	20%	0.201	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-63.3	137.5	-162.9	-27.1	36.4	0	0	0	115.5	F670 L691 V805	F670-P779 HydrophobicContact CD1-CG 3.51Å; F670-P779 HydrophobicContact CE1-CG 3.66Å; F670-P779 VanDerWaalsContact CG-CD 3.49Å; F670-P779 HydrophobicContact CG-CG 4.08Å; F670-P779 HydrophobicContact CZ-CG 4.34Å; L691-P779 HydrophobicContact CD1-CB 3.71Å; L691-P779 HydrophobicContact CD1-CG 4.38Å; L691-P779 HydrophobicContact CG-CB 4.3Å; P779-V805 WeakPolarHBondContact O-CB 3.24Å; P779-V805 WeakPolarHBondContact O-CG2 3.15Å; P779-V805 PolarHBondContact O-N 3.49Å
780	Q	83.7	Confident	73.8	Confident	45 Å²	45	60.8 Å²	60.8	21%	0.21	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.1	-179.6	-73.6	173.9	-0.2	0	0	113.3	N804 V834	Q780-N804 WeakPolarHBondContact CG-OD1 2.93Å; Q780-N804 PolarHBondContact NE2-OD1 3.48Å; Q780-V834 HydrophobicContact CB-CB 4.31Å; Q780-V834 HydrophobicContact CB-CG2 4.12Å; Q780-V834 PolarHBondContact O-N 2.9Å
781	V	89.3	Confident	75.2	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.5	168.6	-61.1	0	0	0	0	111.1	L691 Q802 V803 V805 F826 C831 T832	L691-V781 HydrophobicContact CD1-CG1 4.19Å; V781-Q802 WeakPolarHBondContact O-CA 3.15Å; V781-V803 HydrophobicContact CG2-CB 4.02Å; V781-V803 PolarHBondContact N-O 3.48Å; V781-V803 PolarHBondContact O-N 3.49Å; V781-V805 HydrophobicContact CB-CG2 4.42Å; V781-V805 HydrophobicContact CG1-CG2 3.75Å; V781-V805 HydrophobicContact CG2-CG2 3.82Å; V781-F826 HydrophobicContact CG2-CE2 4.08Å; V781-F826 HydrophobicContact CG2-CZ 3.95Å; V781-C831 HydrophobicContact CB-CB 3.92Å; V781-C831 HydrophobicContact CG2-CB 3.92Å; V781-T832 CarbonylContact C-O 3.58Å; V781-T832 WeakPolarHBondContact CA-O 3.05Å
782	L	88.7	Confident	76.4	Confident	37 Å²	37	59.5 Å²	59.5	19%	0.194	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.4	169.6	-176.8	74	0	0	0	109.1	G800 Q802 C831 T832 V834 M839	L782-G800 WeakPolarHBondContact CD1-O 3.44Å; L782-Q802 HydrophobicContact CD1-CG 3.75Å; L782-C831 CarbonylContact O-C 3.43Å; L782-C831 WeakPolarHBondContact O-CA 3.31Å; L782-C831 WeakPolarHBondContact O-CB 3.26Å; L782-T832 PolarHBondContact N-O 3.49Å; L782-T832 PolarHBondContact O-N 3.42Å; L782-V834 HydrophobicContact CB-CG2 4.05Å; L782-M839 HydrophobicContact CD2-CE 4.22Å; L782-M839 HydrophobicContact CD2-SD 4.03Å
783	I	91	Very high	77.9	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119	176.2	-56	-50.7	0	0	0	109.6	K785 L797 K798 G800 D801 V803 F826 I830 C831	I783-K785 WeakPolarHBondContact CG2-O 3.31Å; I783-L797 HydrophobicContact CD1-CD1 3.89Å; I783-L797 HydrophobicContact CG1-CB 4.23Å; I783-L797 HydrophobicContact CG1-CD1 4.21Å; I783-L797 HydrophobicContact CG1-CD2 4.21Å; I783-L797 HydrophobicContact CG1-CG 4.46Å; I783-L797 HydrophobicContact CG2-CB 4.25Å; I783-K798 WeakPolarHBondContact CB-O 3.17Å; I783-K798 WeakPolarHBondContact CG2-O 3.49Å; I783-G800 PolarHBondContact O-N 3.26Å; I783-D801 HydrophobicContact CB-CB 4.2Å; I783-D801 HydrophobicContact CG1-CB 3.92Å; I783-D801 WeakPolarHBondContact CG1-O 3.48Å; I783-D801 PolarHBondContact N-O 3.32Å; I783-V803 HydrophobicContact CD1-CG2 4Å; I783-V803 HydrophobicContact CG1-CG2 4.07Å; I783-F826 HydrophobicContact CD1-CD2 4.43Å; I783-F826 HydrophobicContact CD1-CE2 4.13Å; I783-I830 HydrophobicContact CD1-CD1 4.44Å; I783-I830 HydrophobicContact CG2-CD1 4.45Å; I783-C831 HydrophobicContact CD1-CB 3.64Å
784	T	87.2	Confident	80	Confident	50 Å²	50	51.4 Å²	51.4	31%	0.307	28%	0.276	S	S	.	.	S	Bend	trans	-96.7	-6.3	-176.3	66.1	0	0	0	0	113.8	I830 T832	T784-I830 WeakPolarHBondContact CA-O 3.29Å; T784-I830 PolarHBondContact N-O 3.46Å; T784-I830 PolarHBondContact OG1-O 3.47Å; T784-T832 HydrophobicContact CG2-CG2 3.78Å; T784-T832 WeakPolarHBondContact CG2-OG1 3.02Å
785	K	87.4	Confident	81.7	Confident	117 Å²	117	47.4 Å²	47.4	51%	0.509	26%	0.255	S	S	.	.	S	Bend	trans	-153.8	129.3	178.2	-59.3	175.6	-171.8	158.7	0	108.7	I783 Y787 I830	I783-K785 WeakPolarHBondContact CG2-O 3.31Å; K785-Y787 PolarHBondContact O-N 3.32Å; K785-I830 HydrophobicContact CB-CB 4.5Å; K785-I830 PolarHBondContact N-O 3.1Å
786	S	84.8	Confident	83.1	Confident	46 Å²	46	49.7 Å²	49.7	32%	0.322	27%	0.265	S	S	.	.			trans	-59.6	135.7	174.8	-50.5	0	0	0	0	111.6	L797 E799	S786-L797 CarbonylContact C-O 3.21Å; S786-L797 VanDerWaalsContact CA-O 3.24Å; S786-L797 WeakPolarHBondContact CA-O 3.31Å; S786-E799 PolarHBondContact OG-N 3.25Å
787	Y	88.8	Confident	84.8	Confident	31 Å²	31	46.8 Å²	46.8	12%	0.122	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-128.2	116.2	-179.5	178.2	-99.2	0	0	0	109.7	K785 E794 E796 L797 P827 I830	K785-Y787 PolarHBondContact O-N 3.32Å; Y787-E794 HydrophobicContact CE1-CB 4.44Å; Y787-E794 PolarHBondContact OH-OE2 3.15Å; Y787-E796 WeakPolarHBondContact O-CA 3.3Å; Y787-L797 PolarHBondContact N-O 3.33Å; Y787-L797 PolarHBondContact O-N 2.99Å; Y787-P827 HydrophobicContact CD2-CG 4.45Å; Y787-P827 HydrophobicContact CE2-CG 3.84Å; Y787-I830 HydrophobicContact CD1-CD1 4.27Å; Y787-I830 HydrophobicContact CD2-CD1 4.41Å; Y787-I830 HydrophobicContact CD2-CG2 4.39Å; Y787-I830 HydrophobicContact CG-CD1 3.79Å
788	S	82.8	Confident	85.6	Confident	25 Å²	25	43.2 Å²	43.2	18%	0.175	23%	0.227	C	C	.	.			trans	-86.9	131.4	173.8	-65.9	0	0	0	0	110.2	R208 I790 E796	R208-S788 VanDerWaalsContact CD-OG 3.27Å; R208-S788 WeakPolarHBondContact CD-OG 3.49Å; S788-I790 PolarHBondContact O-N 2.83Å; S788-E796 VanDerWaalsContact CA-OE1 3.24Å; S788-E796 WeakPolarHBondContact CA-OE1 3.44Å; S788-E796 WeakPolarHBondContact CB-OE1 3.42Å; S788-E796 PolarHBondContact OG-OE1 3.27Å
789	A	85.4	Confident	86	Confident	19 Å²	19	48.9 Å²	48.9	16%	0.157	25%	0.252	C	S	.	.			trans	-55.8	131.8	175	0	0	0	0	0	110.9	R212 E794 E796	R212-A789 PolarHBondContact NH2-O 3Å; A789-E794 HydrophobicContact CB-CB 3.81Å; A789-E796 HydrophobicContact CB-CB 4.14Å
790	I	84.2	Confident	85.8	Confident	137 Å²	137	49.4 Å²	49.4	70%	0.703	26%	0.264	S	S	*	.	S	Bend	trans	-101.5	-41.8	179	-53.1	179	0	0	0	110	S788 E794	S788-I790 PolarHBondContact O-N 2.83Å; I790-E794 WeakPolarHBondContact CA-OE2 3.37Å; I790-E794 WeakPolarHBondContact CB-OE2 3.31Å; I790-E794 PolarHBondContact N-OE2 3.49Å
791	E	82.5	Confident	85.8	Confident	64 Å²	64	49.4 Å²	49.4	30%	0.299	27%	0.265	S	S	.	.	S	Bend	trans	-111.5	154.3	173.7	-58.7	-177.5	-178.9	0	0	110.5	K591 R755 D793 E794	K591-E791 IonicContact NZ-OE2 3.6Å; K591-E791 PolarHBondContact NZ-OE2 3.34Å; R755-E791 IonicContact CZ-OE2 3.9Å; R755-E791 IonicContact NH2-OE2 3.95Å; R755-E791 PolarHBondContact NH2-OE2 3.44Å; E791-D793 WeakPolarHBondContact CB-OD1 3.41Å; E791-D793 PolarHBondContact O-N 3.3Å; E791-D793 VanDerWaalsContact O-N 3.1Å; E791-E794 HydrophobicContact CB-CG 4.27Å; E791-E794 PolarHBondContact N-OE2 3.36Å; E791-E794 WeakPolarHBondContact O-CB 3.47Å; E791-E794 PolarHBondContact O-N 3.12Å
792	C	81.5	Confident	85.5	Confident	67 Å²	67	52 Å²	52	45%	0.453	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.5	-170.5	-57	0	0	0	0	115.8	V590	V590-C792 WeakPolarHBondContact O-CB 3.49Å
793	D	86.8	Confident	85.5	Confident	20 Å²	20	50.2 Å²	50.2	11%	0.107	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	4.2	175.6	62.6	-49	0	0	0	113.2	K591 R755 E791 G824 W825	K591-D793 IonicContact NZ-OD1 2.66Å; K591-D793 PolarHBondContact NZ-OD1 3.12Å; K591-D793 IonicContact NZ-OD2 2.77Å; K591-D793 PolarHBondContact NZ-OD2 3.07Å; R755-D793 WeakPolarHBondContact CB-OD2 3.32Å; R755-D793 IonicContact CZ-OD1 2.66Å; R755-D793 IonicContact CZ-OD2 2.91Å; R755-D793 IonicContact NE-OD1 3.17Å; R755-D793 IonicContact NE-OD2 3.76Å; R755-D793 PolarHBondContact NE-OD2 2.67Å; R755-D793 VanDerWaalsContact NH2-CG 3.29Å; R755-D793 IonicContact NH2-OD1 3.1Å; R755-D793 PolarHBondContact NH2-OD1 2.84Å; R755-D793 IonicContact NH2-OD2 3.64Å; R755-D793 PolarHBondContact NH2-OD2 2.97Å; R755-D793 VanDerWaalsContact NH2-OD2 3.12Å; E791-D793 WeakPolarHBondContact CB-OD1 3.41Å; E791-D793 PolarHBondContact O-N 3.3Å; E791-D793 VanDerWaalsContact O-N 3.1Å; D793-G824 WeakPolarHBondContact O-CA 3.35Å; D793-W825 PolarHBondContact O-N 2.98Å
794	E	90.4	Very high	85.2	Confident	19 Å²	19	50.9 Å²	50.9	9%	0.089	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-91.5	147.4	178.4	-61.1	179	175.4	0	0	112.6	R755 Y787 A789 I790 E791 W813 W825	R755-E794 IonicContact CZ-OE1 3.43Å; R755-E794 IonicContact NH1-OE1 2.8Å; R755-E794 PolarHBondContact NH1-OE1 3.08Å; R755-E794 IonicContact NH2-OE1 2.93Å; R755-E794 PolarHBondContact NH2-OE1 3.22Å; Y787-E794 HydrophobicContact CE1-CB 4.44Å; Y787-E794 PolarHBondContact OH-OE2 3.15Å; A789-E794 HydrophobicContact CB-CB 3.81Å; I790-E794 WeakPolarHBondContact CA-OE2 3.37Å; I790-E794 WeakPolarHBondContact CB-OE2 3.31Å; I790-E794 PolarHBondContact N-OE2 3.49Å; E791-E794 HydrophobicContact CB-CG 4.27Å; E791-E794 PolarHBondContact N-OE2 3.36Å; E791-E794 WeakPolarHBondContact O-CB 3.47Å; E791-E794 PolarHBondContact O-N 3.12Å; E794-W813 HydrophobicContact CG-CZ3 4.33Å; E794-W813 WeakPolarHBondContact OE1-CH2 2.98Å; E794-W825 CarbonylContact C-O 3.56Å; E794-W825 WeakPolarHBondContact CA-O 3.16Å; E794-W825 WeakPolarHBondContact CB-O 3.4Å
795	L	88.5	Confident	85.3	Confident	8 Å²	8	48.5 Å²	48.5	4%	0.042	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-89.7	116.3	177.6	-163	55.9	0	0	0	109.2	L797 V803 L818 R822 W825	L795-L797 HydrophobicContact CB-CD1 4.35Å; L795-L797 HydrophobicContact CB-CG 4.3Å; L795-L797 HydrophobicContact CD2-CD1 4.48Å; L795-L797 HydrophobicContact CD2-CD2 3.96Å; L795-L797 HydrophobicContact CD2-CG 4.4Å; L795-L797 HydrophobicContact CG-CD1 4.42Å; L795-L797 HydrophobicContact CG-CD2 3.92Å; L795-L797 HydrophobicContact CG-CG 4.03Å; L795-V803 HydrophobicContact CD2-CG1 4.24Å; L795-L818 HydrophobicContact CD1-CD1 4.09Å; L795-L818 HydrophobicContact CD2-CD1 4.43Å; L795-L818 HydrophobicContact CD2-CG 4.24Å; L795-L818 HydrophobicContact CG-CD1 4.3Å; L795-R822 HydrophobicContact CD1-CB 3.98Å; L795-W825 PolarHBondContact N-O 3Å
796	E	86.9	Confident	85.2	Confident	75 Å²	75	43.1 Å²	43.1	35%	0.35	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-72.8	129.6	168.3	178.8	140.1	-141.7	0	0	109.5	R212 Y787 S788 A789	R212-E796 IonicContact NH1-OE2 2.67Å; R212-E796 IonicContact NH2-OE2 3.16Å; R212-E796 PolarHBondContact NH2-OE2 3.31Å; Y787-E796 WeakPolarHBondContact O-CA 3.3Å; S788-E796 VanDerWaalsContact CA-OE1 3.24Å; S788-E796 WeakPolarHBondContact CA-OE1 3.44Å; S788-E796 WeakPolarHBondContact CB-OE1 3.42Å; S788-E796 PolarHBondContact OG-OE1 3.27Å; A789-E796 HydrophobicContact CB-CB 4.14Å
797	L	88.4	Confident	85.4	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-139.2	140.1	-166.5	-70.1	166.8	0	0	0	110.4	I783 S786 Y787 L795 D801 V803 L818 F826 I830	I783-L797 HydrophobicContact CD1-CD1 3.89Å; I783-L797 HydrophobicContact CG1-CB 4.23Å; I783-L797 HydrophobicContact CG1-CD1 4.21Å; I783-L797 HydrophobicContact CG1-CD2 4.21Å; I783-L797 HydrophobicContact CG1-CG 4.46Å; I783-L797 HydrophobicContact CG2-CB 4.25Å; S786-L797 CarbonylContact C-O 3.21Å; S786-L797 VanDerWaalsContact CA-O 3.24Å; S786-L797 WeakPolarHBondContact CA-O 3.31Å; Y787-L797 PolarHBondContact N-O 3.33Å; Y787-L797 PolarHBondContact O-N 2.99Å; L795-L797 HydrophobicContact CB-CD1 4.35Å; L795-L797 HydrophobicContact CB-CG 4.3Å; L795-L797 HydrophobicContact CD2-CD1 4.48Å; L795-L797 HydrophobicContact CD2-CD2 3.96Å; L795-L797 HydrophobicContact CD2-CG 4.4Å; L795-L797 HydrophobicContact CG-CD1 4.42Å; L795-L797 HydrophobicContact CG-CD2 3.92Å; L795-L797 HydrophobicContact CG-CG 4.03Å; L797-D801 HydrophobicContact CD2-CB 4.33Å; L797-V803 HydrophobicContact CD1-CG2 4.35Å; L797-V803 HydrophobicContact CD2-CG2 3.5Å; L797-L818 HydrophobicContact CD2-CD1 4.12Å; L797-L818 HydrophobicContact CD2-CD2 3.98Å; L797-L818 HydrophobicContact CD2-CG 4.17Å; L797-F826 HydrophobicContact CD1-CB 3.74Å; L797-F826 HydrophobicContact CD1-CD1 4.16Å; L797-F826 HydrophobicContact CD1-CD2 3.86Å; L797-F826 HydrophobicContact CD1-CE2 4.49Å; L797-F826 HydrophobicContact CD1-CG 3.66Å; L797-I830 HydrophobicContact CD1-CD1 4.06Å
798	K	81.9	Confident	85.4	Confident	110 Å²	110	40.2 Å²	40.2	48%	0.478	22%	0.218	S	C	.	.			trans	-105.2	151.2	177.5	-61.5	176.7	-176.2	176.9	0	110.4	I783 G800 D801	I783-K798 WeakPolarHBondContact CB-O 3.17Å; I783-K798 WeakPolarHBondContact CG2-O 3.49Å; K798-G800 PolarHBondContact O-N 3.02Å; K798-D801 PolarHBondContact N-OD2 2.84Å; K798-D801 VanDerWaalsContact O-CB 3.23Å; K798-D801 WeakPolarHBondContact O-CB 3.22Å; K798-D801 VanDerWaalsContact O-CG 3.3Å; K798-D801 PolarHBondContact O-N 3.33Å
799	E	82.7	Confident	85.8	Confident	122 Å²	122	39.2 Å²	39.2	57%	0.57	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	123	172.3	-172.7	172.1	152.8	0	0	110.1	S786	S786-E799 PolarHBondContact OG-N 3.25Å
800	G	78.3	Confident	85.9	Confident	43 Å²	43	40.2 Å²	40.2	44%	0.443	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.1	-16.7	-169.5	0	0	0	0	0	114.9	L782 I783 K798	L782-G800 WeakPolarHBondContact CD1-O 3.44Å; I783-G800 PolarHBondContact O-N 3.26Å; K798-G800 PolarHBondContact O-N 3.02Å
801	D	84.2	Confident	86.1	Confident	45 Å²	45	36.5 Å²	36.5	24%	0.241	20%	0.198	C	C	.	.			trans	-63.6	155.6	178	-73.1	-2.1	0	0	0	112	I783 L797 K798 L818	I783-D801 HydrophobicContact CB-CB 4.2Å; I783-D801 HydrophobicContact CG1-CB 3.92Å; I783-D801 WeakPolarHBondContact CG1-O 3.48Å; I783-D801 PolarHBondContact N-O 3.32Å; L797-D801 HydrophobicContact CD2-CB 4.33Å; K798-D801 PolarHBondContact N-OD2 2.84Å; K798-D801 VanDerWaalsContact O-CB 3.23Å; K798-D801 WeakPolarHBondContact O-CB 3.22Å; K798-D801 VanDerWaalsContact O-CG 3.3Å; K798-D801 PolarHBondContact O-N 3.33Å; D801-L818 HydrophobicContact CB-CD2 4.23Å
802	Q	84.3	Confident	86.4	Confident	54 Å²	54	34.6 Å²	34.6	25%	0.252	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	123.6	-175.8	-63.2	177.7	6	0	0	110	V781 L782 N843	V781-Q802 WeakPolarHBondContact O-CA 3.15Å; L782-Q802 HydrophobicContact CD1-CG 3.75Å; Q802-N843 VanDerWaalsContact CD-CG 3.41Å; Q802-N843 PolarHBondContact NE2-ND2 2.96Å; Q802-N843 PolarHBondContact NE2-OD1 2.9Å; Q802-N843 PolarHBondContact OE1-ND2 3.5Å; Q802-N843 PolarHBondContact OE1-OD1 2.88Å
803	V	87.4	Confident	87	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.4	-170.4	-171.4	0	0	0	0	109.6	V781 I783 L795 L797 L818 F826	V781-V803 HydrophobicContact CG2-CB 4.02Å; V781-V803 PolarHBondContact N-O 3.48Å; V781-V803 PolarHBondContact O-N 3.49Å; I783-V803 HydrophobicContact CD1-CG2 4Å; I783-V803 HydrophobicContact CG1-CG2 4.07Å; L795-V803 HydrophobicContact CD2-CG1 4.24Å; L797-V803 HydrophobicContact CD1-CG2 4.35Å; L797-V803 HydrophobicContact CD2-CG2 3.5Å; V803-L818 HydrophobicContact CG2-CD2 4.07Å; V803-F826 HydrophobicContact CB-CE1 4.49Å; V803-F826 HydrophobicContact CB-CZ 4.16Å; V803-F826 HydrophobicContact CG1-CE1 3.74Å; V803-F826 HydrophobicContact CG1-CZ 3.85Å
804	N	85.6	Confident	87.3	Confident	15 Å²	15	32.8 Å²	32.8	8%	0.08	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.6	170.7	-54.4	-75.4	0	0	0	107.8	I775 Q780 L806 G816 A817	I775-N804 HydrophobicContact CG2-CB 3.84Å; I775-N804 VanDerWaalsContact CG2-CG 3.5Å; I775-N804 WeakPolarHBondContact CG2-ND2 3.4Å; Q780-N804 WeakPolarHBondContact CG-OD1 2.93Å; Q780-N804 PolarHBondContact NE2-OD1 3.48Å; N804-L806 PolarHBondContact O-N 2.88Å; N804-G816 CarbonylContact O-C 3.57Å; N804-G816 WeakPolarHBondContact O-CA 3.37Å; N804-A817 PolarHBondContact N-O 2.58Å; N804-A817 PolarHBondContact O-N 2.95Å
805	V	88.6	Confident	87.4	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115.9	-174.1	-178.8	0	0	0	0	109.6	F670 L691 P779 V781 V807 L814	F670-V805 WeakPolarHBondContact CB-O 3.29Å; F670-V805 HydrophobicContact CD2-CB 4.43Å; F670-V805 HydrophobicContact CD2-CG1 3.88Å; F670-V805 WeakPolarHBondContact CD2-O 3.18Å; F670-V805 HydrophobicContact CE2-CG1 3.71Å; L691-V805 HydrophobicContact CD1-CB 4.3Å; L691-V805 HydrophobicContact CD1-CG1 4.44Å; L691-V805 HydrophobicContact CD1-CG2 4.08Å; P779-V805 WeakPolarHBondContact O-CB 3.24Å; P779-V805 WeakPolarHBondContact O-CG2 3.15Å; P779-V805 PolarHBondContact O-N 3.49Å; V781-V805 HydrophobicContact CB-CG2 4.42Å; V781-V805 HydrophobicContact CG1-CG2 3.75Å; V781-V805 HydrophobicContact CG2-CG2 3.82Å; V805-V807 WeakPolarHBondContact CG1-O 3.23Å; V805-L814 HydrophobicContact CG1-CB 4.39Å; V805-L814 HydrophobicContact CG1-CD2 4.15Å; V805-L814 HydrophobicContact CG2-CD1 4.21Å
806	L	85.5	Confident	87.4	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.016	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-38.1	179.9	-50.2	177.7	0	0	0	111.5	F670 C671 I767 N804 K815 A817	F670-L806 PolarHBondContact N-O 2.92Å; C671-L806 WeakPolarHBondContact SG-CD2 3.36Å; I767-L806 HydrophobicContact CD1-CB 4.24Å; I767-L806 HydrophobicContact CD1-CD1 3.76Å; I767-L806 HydrophobicContact CG1-CD1 4.26Å; I767-L806 HydrophobicContact CG2-CD1 3.93Å; N804-L806 PolarHBondContact O-N 2.88Å; L806-K815 PolarHBondContact N-O 2.79Å; L806-A817 HydrophobicContact CD1-CB 4.15Å; L806-A817 HydrophobicContact CD2-CB 4.29Å; L806-A817 HydrophobicContact CG-CB 4.42Å
807	V	88.1	Confident	87.4	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145.4	179.3	-166.4	0	0	0	0	110.6	I667 H668 H765 V805 L809 L814 K815 W825	I667-V807 HydrophobicContact CG2-CG1 4.02Å; H668-V807 CarbonylContact O-C 3.53Å; H668-V807 VanDerWaalsContact O-CA 3.22Å; H668-V807 WeakPolarHBondContact O-CA 3.39Å; H765-V807 HydrophobicContact CB-CG2 3.87Å; V805-V807 WeakPolarHBondContact CG1-O 3.23Å; V807-L809 HydrophobicContact CG1-CD2 4.3Å; V807-L814 CarbonylContact O-C 3.59Å; V807-L814 VanDerWaalsContact O-CA 3.32Å; V807-L814 WeakPolarHBondContact O-CA 3.07Å; V807-K815 HydrophobicContact CB-CB 3.9Å; V807-K815 HydrophobicContact CG2-CB 4.09Å; V807-K815 PolarHBondContact N-O 2.95Å; V807-K815 PolarHBondContact O-N 3.4Å; V807-W825 HydrophobicContact CB-CH2 4.27Å; V807-W825 HydrophobicContact CG1-CH2 4.18Å
808	S	89.7	Confident	87.1	Confident	17 Å²	17	29.4 Å²	29.4	12%	0.119	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.6	171.4	176.2	0	0	0	0	111.6	H668 L814	H668-S808 PolarHBondContact N-O 2.79Å; H668-S808 PolarHBondContact O-N 3.45Å; S808-L814 WeakPolarHBondContact OG-CD2 3.48Å
809	L	90.3	Very high	86.7	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144	-179.4	-57.4	-176.9	0	0	0	111.4	I667 L750 E754 V807 D811 G812 W813 W825	I667-L809 HydrophobicContact CB-CD2 4.12Å; I667-L809 HydrophobicContact CG1-CD2 3.98Å; I667-L809 HydrophobicContact CG2-CD2 3.7Å; L750-L809 HydrophobicContact CD2-CB 4.23Å; L750-L809 HydrophobicContact CD2-CD2 4.4Å; E754-L809 HydrophobicContact CB-CD1 4.02Å; E754-L809 HydrophobicContact CB-CD2 4.4Å; E754-L809 HydrophobicContact CG-CD1 4.23Å; E754-L809 HydrophobicContact CG-CD2 4.04Å; V807-L809 HydrophobicContact CG1-CD2 4.3Å; L809-D811 WeakPolarHBondContact CB-OD1 3.27Å; L809-D811 PolarHBondContact O-N 2.79Å; L809-D811 VanDerWaalsContact O-N 3.1Å; L809-G812 PolarHBondContact O-N 3.24Å; L809-W813 HydrophobicContact CB-CB 4.39Å; L809-W813 WeakPolarHBondContact CB-O 3.28Å; L809-W813 HydrophobicContact CD1-CB 4.12Å; L809-W813 PolarHBondContact N-O 3.26Å; L809-W825 HydrophobicContact CD1-CE3 4.38Å; L809-W825 HydrophobicContact CD1-CH2 3.83Å; L809-W825 HydrophobicContact CD1-CZ3 3.54Å; L809-W825 HydrophobicContact CD2-CH2 4.31Å; L809-W825 HydrophobicContact CD2-CZ3 4.44Å; L809-W825 HydrophobicContact CG-CH2 4.09Å; L809-W825 HydrophobicContact CG-CZ3 3.76Å
810	S	87.9	Confident	86	Confident	40 Å²	40	25.4 Å²	25.4	28%	0.28	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.7	-178.3	58.4	0	0	0	0	115.6	C665 F666 L750 G812	C665-S810 WeakPolarHBondContact CA-OG 3.42Å; F666-S810 VanDerWaalsContact CD1-CB 3.47Å; F666-S810 VanDerWaalsContact CE1-CB 3.46Å; F666-S810 PolarHBondContact N-OG 2.96Å; F666-S810 VanDerWaalsContact N-OG 3.14Å; F666-S810 PolarHBondContact O-N 3.08Å; F666-S810 VanDerWaalsContact O-N 3.08Å; L750-S810 VanDerWaalsContact CD2-OG 3.28Å; L750-S810 WeakPolarHBondContact CD2-OG 3.34Å; S810-G812 VanDerWaalsContact C-N 3.33Å
811	D	87.8	Confident	85.7	Confident	59 Å²	59	25.3 Å²	25.3	32%	0.316	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	9.8	174.7	69.2	-15.6	0	0	0	113.7	T749 L750 S751 L809	T749-D811 WeakPolarHBondContact CB-OD2 3.47Å; L750-D811 PolarHBondContact N-OD2 3.12Å; S751-D811 WeakPolarHBondContact CB-OD2 3.37Å; S751-D811 PolarHBondContact N-OD2 2.81Å; S751-D811 PolarHBondContact OG-OD2 2.96Å; L809-D811 WeakPolarHBondContact CB-OD1 3.27Å; L809-D811 PolarHBondContact O-N 2.79Å; L809-D811 VanDerWaalsContact O-N 3.1Å
812	G	90.6	Very high	85.5	Confident	24 Å²	24	28.6 Å²	28.6	25%	0.247	16%	0.162	C	C	.	.	S	Bend	trans	91.3	20.9	169.6	0	0	0	0	0	115.2	L809 S810 S828	L809-G812 PolarHBondContact O-N 3.24Å; S810-G812 VanDerWaalsContact C-N 3.33Å; G812-S828 WeakPolarHBondContact O-CB 3.35Å; G812-S828 PolarHBondContact O-N 3.05Å; G812-S828 PolarHBondContact O-OG 3.16Å; G812-S828 VanDerWaalsContact O-OG 3.12Å
813	W	93.2	Very high	85.6	Confident	46 Å²	46	30 Å²	30	17%	0.174	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	142.5	169.8	-79	83.5	0	0	0	111.9	S751 E794 L809 W825 P827	S751-W813 VanDerWaalsContact CB-CG 3.5Å; E794-W813 HydrophobicContact CG-CZ3 4.33Å; E794-W813 WeakPolarHBondContact OE1-CH2 2.98Å; L809-W813 HydrophobicContact CB-CB 4.39Å; L809-W813 WeakPolarHBondContact CB-O 3.28Å; L809-W813 HydrophobicContact CD1-CB 4.12Å; L809-W813 PolarHBondContact N-O 3.26Å; W813-W825 HydrophobicContact CB-CE3 4.36Å; W813-W825 HydrophobicContact CE3-CB 4.1Å; W813-W825 HydrophobicContact CZ3-CB 4.26Å; W813-P827 HydrophobicContact CH2-CG 3.98Å; W813-P827 HydrophobicContact CZ2-CG 4.22Å; W813-P827 HydrophobicContact CZ3-CG 4.15Å
814	L	93.3	Very high	85.7	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.2	177.2	-56.2	-179.3	0	0	0	109.3	V805 V807 S808 W825 F826	V805-L814 HydrophobicContact CG1-CB 4.39Å; V805-L814 HydrophobicContact CG1-CD2 4.15Å; V805-L814 HydrophobicContact CG2-CD1 4.21Å; V807-L814 CarbonylContact O-C 3.59Å; V807-L814 VanDerWaalsContact O-CA 3.32Å; V807-L814 WeakPolarHBondContact O-CA 3.07Å; S808-L814 WeakPolarHBondContact OG-CD2 3.48Å; L814-W825 CarbonylContact O-C 3.49Å; L814-W825 VanDerWaalsContact O-CA 3.31Å; L814-W825 WeakPolarHBondContact O-CA 3.49Å; L814-F826 HydrophobicContact CB-CD1 4.23Å; L814-F826 HydrophobicContact CB-CD2 4.42Å; L814-F826 HydrophobicContact CB-CE1 3.78Å; L814-F826 HydrophobicContact CB-CE2 4.03Å; L814-F826 HydrophobicContact CB-CZ 3.69Å; L814-F826 HydrophobicContact CD1-CE2 3.71Å; L814-F826 HydrophobicContact CD1-CZ 3.81Å; L814-F826 HydrophobicContact CG-CE2 4.4Å; L814-F826 HydrophobicContact CG-CZ 4.38Å; L814-F826 PolarHBondContact N-O 3.27Å; L814-F826 PolarHBondContact O-N 3.22Å
815	K	91.4	Very high	86.1	Confident	25 Å²	25	29.5 Å²	29.5	11%	0.109	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.1	161.4	-171.2	171.1	177.9	163.9	0	107.9	D758 I767 L806 V807 G824 W825	D758-K815 IonicContact OD1-NZ 3.24Å; D758-K815 PolarHBondContact OD1-NZ 3.47Å; D758-K815 IonicContact OD2-NZ 3.47Å; D758-K815 PolarHBondContact OD2-NZ 3.5Å; I767-K815 HydrophobicContact CD1-CD 3.79Å; L806-K815 PolarHBondContact N-O 2.79Å; V807-K815 HydrophobicContact CB-CB 3.9Å; V807-K815 HydrophobicContact CG2-CB 4.09Å; V807-K815 PolarHBondContact N-O 2.95Å; V807-K815 PolarHBondContact O-N 3.4Å; K815-G824 WeakPolarHBondContact CA-O 3.29Å; K815-W825 HydrophobicContact CB-CD2 3.84Å; K815-W825 HydrophobicContact CB-CE3 3.76Å; K815-W825 HydrophobicContact CB-CH2 3.91Å; K815-W825 HydrophobicContact CB-CZ2 3.99Å; K815-W825 HydrophobicContact CB-CZ3 3.77Å; K815-W825 HydrophobicContact CD-CD2 4.43Å; K815-W825 HydrophobicContact CD-CZ2 3.88Å; K815-W825 HydrophobicContact CG-CD2 4.27Å; K815-W825 HydrophobicContact CG-CZ2 4.42Å
816	G	89.7	Confident	86.4	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	172	-176.1	0	0	0	0	0	114.5	N804 R823 G824	N804-G816 CarbonylContact O-C 3.57Å; N804-G816 WeakPolarHBondContact O-CA 3.37Å; G816-R823 VanDerWaalsContact O-CA 3.23Å; G816-R823 WeakPolarHBondContact O-CA 3.42Å; G816-G824 PolarHBondContact N-O 3.49Å; G816-G824 PolarHBondContact O-N 3.45Å
817	A	86.6	Confident	86.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.2	171.3	0	0	0	0	0	111.3	I775 N804 L806 R822 R823	I775-A817 HydrophobicContact CD1-CB 4.45Å; N804-A817 PolarHBondContact N-O 2.58Å; N804-A817 PolarHBondContact O-N 2.95Å; L806-A817 HydrophobicContact CD1-CB 4.15Å; L806-A817 HydrophobicContact CD2-CB 4.29Å; L806-A817 HydrophobicContact CG-CB 4.42Å; A817-R822 WeakPolarHBondContact CA-O 3.4Å; A817-R823 HydrophobicContact CB-CG 4.04Å
818	L	83.1	Confident	87	Confident	7 Å²	7	30.7 Å²	30.7	4%	0.037	17%	0.171	C	C	.	.			trans	-80.7	159.6	165.5	-80	167.1	0	0	0	110.6	L795 L797 D801 V803 D820 G821 R822	L795-L818 HydrophobicContact CD1-CD1 4.09Å; L795-L818 HydrophobicContact CD2-CD1 4.43Å; L795-L818 HydrophobicContact CD2-CG 4.24Å; L795-L818 HydrophobicContact CG-CD1 4.3Å; L797-L818 HydrophobicContact CD2-CD1 4.12Å; L797-L818 HydrophobicContact CD2-CD2 3.98Å; L797-L818 HydrophobicContact CD2-CG 4.17Å; D801-L818 HydrophobicContact CB-CD2 4.23Å; V803-L818 HydrophobicContact CG2-CD2 4.07Å; L818-D820 WeakPolarHBondContact CB-OD1 3.15Å; L818-D820 PolarHBondContact O-N 3.17Å; L818-G821 PolarHBondContact O-N 3.25Å; L818-R822 HydrophobicContact CD1-CB 4.41Å; L818-R822 PolarHBondContact N-O 2.73Å
819	P	72.4	Confident	87.1	Confident	74 Å²	74	35.8 Å²	35.8	48%	0.481	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.9	176.7	-22.8	34.7	0	0	0	115	G821	P819-G821 VanDerWaalsContact C-N 3.25Å
820	D	68.3	Low	87.1	Confident	74 Å²	74	36 Å²	36	40%	0.396	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.6	172.7	59.7	27.7	0	0	0	113.3	L818 R822	L818-D820 WeakPolarHBondContact CB-OD1 3.15Å; L818-D820 PolarHBondContact O-N 3.17Å; D820-R822 WeakPolarHBondContact OD1-CB 3.47Å; D820-R822 WeakPolarHBondContact OD1-CG 3.27Å; D820-R822 PolarHBondContact OD1-N 3.42Å; D820-R822 IonicContact OD1-NE 2.74Å; D820-R822 IonicContact OD2-CZ 2.73Å; D820-R822 IonicContact OD2-NE 3.85Å; D820-R822 PolarHBondContact OD2-NE 3.44Å; D820-R822 IonicContact OD2-NH2 2.71Å; D820-R822 PolarHBondContact OD2-NH2 2.8Å
821	G	72.3	Confident	87.3	Confident	41 Å²	41	34.3 Å²	34.3	42%	0.423	18%	0.182	S	C	.	.	S	Bend	trans	92.2	-7.4	-179	0	0	0	0	0	115.1	L818 P819 R823	L818-G821 PolarHBondContact O-N 3.25Å; P819-G821 VanDerWaalsContact C-N 3.25Å; G821-R823 WeakPolarHBondContact O-CG 3.29Å
822	R	80.5	Confident	87.3	Confident	114 Å²	114	34.9 Å²	34.9	43%	0.43	19%	0.188	S	C	.	.			trans	-63.6	141.1	173.5	-67.3	-174.9	-71.7	-163.3	-10.3	110.6	D554 L795 A817 L818 D820	D554-R822 IonicContact OD2-CZ 2.64Å; D554-R822 IonicContact OD2-NH1 3.99Å; D554-R822 PolarHBondContact OD2-NH1 2.95Å; D554-R822 VanDerWaalsContact OD2-NH1 3.1Å; D554-R822 IonicContact OD2-NH2 3.66Å; L795-R822 HydrophobicContact CD1-CB 3.98Å; A817-R822 WeakPolarHBondContact CA-O 3.4Å; L818-R822 HydrophobicContact CD1-CB 4.41Å; L818-R822 PolarHBondContact N-O 2.73Å; D820-R822 WeakPolarHBondContact OD1-CB 3.47Å; D820-R822 WeakPolarHBondContact OD1-CG 3.27Å; D820-R822 PolarHBondContact OD1-N 3.42Å; D820-R822 IonicContact OD1-NE 2.74Å; D820-R822 IonicContact OD2-CZ 2.73Å; D820-R822 IonicContact OD2-NE 3.85Å; D820-R822 PolarHBondContact OD2-NE 3.44Å; D820-R822 IonicContact OD2-NH2 2.71Å; D820-R822 PolarHBondContact OD2-NH2 2.8Å
823	R	86.2	Confident	87.1	Confident	84 Å²	84	35.2 Å²	35.2	32%	0.317	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.3	-177.7	-51.7	-179.3	-170.7	159.2	2.9	110.3	I767 P768 E769 G816 A817 G821	I767-R823 VanDerWaalsContact CG2-NH1 3.35Å; P768-R823 PolarHBondContact O-NH1 3.26Å; E769-R823 PolarHBondContact O-NH2 3.11Å; G816-R823 VanDerWaalsContact O-CA 3.23Å; G816-R823 WeakPolarHBondContact O-CA 3.42Å; A817-R823 HydrophobicContact CB-CG 4.04Å; G821-R823 WeakPolarHBondContact O-CG 3.29Å
824	G	89.7	Confident	86.4	Confident	4 Å²	4	33.3 Å²	33.3	4%	0.041	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.6	178.4	178.9	0	0	0	0	0	113.2	D793 K815 G816	D793-G824 WeakPolarHBondContact O-CA 3.35Å; K815-G824 WeakPolarHBondContact CA-O 3.29Å; G816-G824 PolarHBondContact N-O 3.49Å; G816-G824 PolarHBondContact O-N 3.45Å
825	W	93	Very high	85.4	Confident	1 Å²	1	40 Å²	40	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	141.9	179.6	-68.9	94.9	0	0	0	112.3	R755 D758 D793 E794 L795 V807 L809 W813 L814 K815	R755-W825 HydrophobicContact CG-CB 4.4Å; R755-W825 HydrophobicContact CG-CD2 3.66Å; R755-W825 HydrophobicContact CG-CE3 4.28Å; R755-W825 HydrophobicContact CG-CG 3.69Å; R755-W825 HydrophobicContact CG-CZ2 4.37Å; D758-W825 HydrophobicContact CB-CZ2 4.4Å; D758-W825 PolarHBondContact OD2-NE1 3.07Å; D793-W825 PolarHBondContact O-N 2.98Å; E794-W825 CarbonylContact C-O 3.56Å; E794-W825 WeakPolarHBondContact CA-O 3.16Å; E794-W825 WeakPolarHBondContact CB-O 3.4Å; L795-W825 PolarHBondContact N-O 3Å; V807-W825 HydrophobicContact CB-CH2 4.27Å; V807-W825 HydrophobicContact CG1-CH2 4.18Å; L809-W825 HydrophobicContact CD1-CE3 4.38Å; L809-W825 HydrophobicContact CD1-CH2 3.83Å; L809-W825 HydrophobicContact CD1-CZ3 3.54Å; L809-W825 HydrophobicContact CD2-CH2 4.31Å; L809-W825 HydrophobicContact CD2-CZ3 4.44Å; L809-W825 HydrophobicContact CG-CH2 4.09Å; L809-W825 HydrophobicContact CG-CZ3 3.76Å; W813-W825 HydrophobicContact CB-CE3 4.36Å; W813-W825 HydrophobicContact CE3-CB 4.1Å; W813-W825 HydrophobicContact CZ3-CB 4.26Å; L814-W825 CarbonylContact O-C 3.49Å; L814-W825 VanDerWaalsContact O-CA 3.31Å; L814-W825 WeakPolarHBondContact O-CA 3.49Å; K815-W825 HydrophobicContact CB-CD2 3.84Å; K815-W825 HydrophobicContact CB-CE3 3.76Å; K815-W825 HydrophobicContact CB-CH2 3.91Å; K815-W825 HydrophobicContact CB-CZ2 3.99Å; K815-W825 HydrophobicContact CB-CZ3 3.77Å; K815-W825 HydrophobicContact CD-CD2 4.43Å; K815-W825 HydrophobicContact CD-CZ2 3.88Å; K815-W825 HydrophobicContact CG-CD2 4.27Å; K815-W825 HydrophobicContact CG-CZ2 4.42Å
826	F	94.2	Very high	84.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	153.9	175	64	-77.5	0	0	0	111.4	V781 I783 L797 V803 L814 I830 C831	V781-F826 HydrophobicContact CG2-CE2 4.08Å; V781-F826 HydrophobicContact CG2-CZ 3.95Å; I783-F826 HydrophobicContact CD1-CD2 4.43Å; I783-F826 HydrophobicContact CD1-CE2 4.13Å; L797-F826 HydrophobicContact CD1-CB 3.74Å; L797-F826 HydrophobicContact CD1-CD1 4.16Å; L797-F826 HydrophobicContact CD1-CD2 3.86Å; L797-F826 HydrophobicContact CD1-CE2 4.49Å; L797-F826 HydrophobicContact CD1-CG 3.66Å; V803-F826 HydrophobicContact CB-CE1 4.49Å; V803-F826 HydrophobicContact CB-CZ 4.16Å; V803-F826 HydrophobicContact CG1-CE1 3.74Å; V803-F826 HydrophobicContact CG1-CZ 3.85Å; L814-F826 HydrophobicContact CB-CD1 4.23Å; L814-F826 HydrophobicContact CB-CD2 4.42Å; L814-F826 HydrophobicContact CB-CE1 3.78Å; L814-F826 HydrophobicContact CB-CE2 4.03Å; L814-F826 HydrophobicContact CB-CZ 3.69Å; L814-F826 HydrophobicContact CD1-CE2 3.71Å; L814-F826 HydrophobicContact CD1-CZ 3.81Å; L814-F826 HydrophobicContact CG-CE2 4.4Å; L814-F826 HydrophobicContact CG-CZ 4.38Å; L814-F826 PolarHBondContact N-O 3.27Å; L814-F826 PolarHBondContact O-N 3.22Å; F826-I830 HydrophobicContact CB-CD1 4.31Å; F826-I830 HydrophobicContact CD2-CD1 4.06Å; F826-I830 HydrophobicContact CD2-CG1 4.28Å; F826-C831 HydrophobicContact CE2-CB 4.34Å
827	P	94.6	Very high	83.6	Confident	8 Å²	8	47 Å²	47	5%	0.052	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	147.4	175.4	-19.9	33	0	0	0	112.4	Y787 W813 H829 I830	Y787-P827 HydrophobicContact CD2-CG 4.45Å; Y787-P827 HydrophobicContact CE2-CG 3.84Å; W813-P827 HydrophobicContact CH2-CG 3.98Å; W813-P827 HydrophobicContact CZ2-CG 4.22Å; W813-P827 HydrophobicContact CZ3-CG 4.15Å; P827-H829 VanDerWaalsContact C-N 3.3Å; P827-H829 VanDerWaalsContact CB-CE1 3.43Å; P827-H829 WeakPolarHBondContact CB-CE1 3.43Å; P827-H829 VanDerWaalsContact CB-ND1 3.35Å; P827-H829 WeakPolarHBondContact CB-ND1 3.35Å; P827-H829 PolarHBondContact O-N 3.37Å; P827-I830 VanDerWaalsContact O-CG1 3.23Å; P827-I830 WeakPolarHBondContact O-CG1 3.28Å
828	S	92.6	Very high	83	Confident	19 Å²	19	50.3 Å²	50.3	13%	0.133	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-71.2	-23.5	175.6	66.1	0	0	0	0	113.5	L693 G812 I830 C831	L693-S828 WeakPolarHBondContact CD2-O 3.29Å; G812-S828 WeakPolarHBondContact O-CB 3.35Å; G812-S828 PolarHBondContact O-N 3.05Å; G812-S828 PolarHBondContact O-OG 3.16Å; G812-S828 VanDerWaalsContact O-OG 3.12Å; S828-I830 PolarHBondContact O-N 3.35Å; S828-C831 PolarHBondContact O-N 2.97Å; S828-C831 PolarHBondContact O-SG 2.92Å
829	H	90.9	Very high	82.4	Confident	124 Å²	124	53.2 Å²	53.2	57%	0.574	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-76.3	-5.1	-172.8	75	-99	0	0	0	114.9	P827	P827-H829 VanDerWaalsContact C-N 3.3Å; P827-H829 VanDerWaalsContact CB-CE1 3.43Å; P827-H829 WeakPolarHBondContact CB-CE1 3.43Å; P827-H829 VanDerWaalsContact CB-ND1 3.35Å; P827-H829 WeakPolarHBondContact CB-ND1 3.35Å; P827-H829 PolarHBondContact O-N 3.37Å
830	I	91.5	Very high	82.2	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.036	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-91.3	-11.3	171.3	61.4	166.9	0	0	0	112.4	I783 T784 K785 Y787 L797 F826 P827 S828	I783-I830 HydrophobicContact CD1-CD1 4.44Å; I783-I830 HydrophobicContact CG2-CD1 4.45Å; T784-I830 WeakPolarHBondContact CA-O 3.29Å; T784-I830 PolarHBondContact N-O 3.46Å; T784-I830 PolarHBondContact OG1-O 3.47Å; K785-I830 HydrophobicContact CB-CB 4.5Å; K785-I830 PolarHBondContact N-O 3.1Å; Y787-I830 HydrophobicContact CD1-CD1 4.27Å; Y787-I830 HydrophobicContact CD2-CD1 4.41Å; Y787-I830 HydrophobicContact CD2-CG2 4.39Å; Y787-I830 HydrophobicContact CG-CD1 3.79Å; L797-I830 HydrophobicContact CD1-CD1 4.06Å; F826-I830 HydrophobicContact CB-CD1 4.31Å; F826-I830 HydrophobicContact CD2-CD1 4.06Å; F826-I830 HydrophobicContact CD2-CG1 4.28Å; P827-I830 VanDerWaalsContact O-CG1 3.23Å; P827-I830 WeakPolarHBondContact O-CG1 3.28Å; S828-I830 PolarHBondContact O-N 3.35Å
831	C	91.1	Very high	82.4	Confident	6 Å²	6	59.5 Å²	59.5	4%	0.041	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	165.7	-171.7	76.1	0	0	0	0	113.6	V781 L782 I783 F826 S828	V781-C831 HydrophobicContact CB-CB 3.92Å; V781-C831 HydrophobicContact CG2-CB 3.92Å; L782-C831 CarbonylContact O-C 3.43Å; L782-C831 WeakPolarHBondContact O-CA 3.31Å; L782-C831 WeakPolarHBondContact O-CB 3.26Å; I783-C831 HydrophobicContact CD1-CB 3.64Å; F826-C831 HydrophobicContact CE2-CB 4.34Å; S828-C831 PolarHBondContact O-N 2.97Å; S828-C831 PolarHBondContact O-SG 2.92Å
832	T	89	Confident	82.4	Confident	70 Å²	70	61.3 Å²	61.3	43%	0.429	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.4	171.6	49.8	0	0	0	0	110.6	V781 L782 T784 V834	V781-T832 CarbonylContact C-O 3.58Å; V781-T832 WeakPolarHBondContact CA-O 3.05Å; L782-T832 PolarHBondContact N-O 3.49Å; L782-T832 PolarHBondContact O-N 3.42Å; T784-T832 HydrophobicContact CG2-CG2 3.78Å; T784-T832 WeakPolarHBondContact CG2-OG1 3.02Å; T832-V834 PolarHBondContact O-N 2.97Å
833	E	85	Confident	81.9	Confident	31 Å²	31	56.9 Å²	56.9	15%	0.145	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	128.3	172.8	-179.3	178.9	-137.9	0	0	110.6	T690 L691 L693 K835	T690-E833 WeakPolarHBondContact CG2-OE1 3.49Å; T690-E833 WeakPolarHBondContact CG2-OE2 3.34Å; L691-E833 HydrophobicContact CB-CB 4.42Å; L691-E833 HydrophobicContact CB-CG 4.3Å; L691-E833 WeakPolarHBondContact CB-OE1 3.5Å; L691-E833 PolarHBondContact N-OE1 3.26Å; L693-E833 HydrophobicContact CD1-CB 3.86Å; E833-K835 HydrophobicContact CG-CG 4.24Å; E833-K835 PolarHBondContact O-N 3.25Å; E833-K835 VanDerWaalsContact O-N 3.12Å; E833-K835 WeakPolarHBondContact OE2-CE 3.47Å; E833-K835 IonicContact OE2-NZ 2.64Å; E833-K835 PolarHBondContact OE2-NZ 2.99Å
834	V	79.7	Confident	81.2	Confident	6 Å²	6	56.8 Å²	56.8	4%	0.036	29%	0.286	C	S	.	.			trans	-72.5	106.8	176.4	-173.5	0	0	0	0	108.1	Q780 L782 T832 M839 K840	Q780-V834 HydrophobicContact CB-CB 4.31Å; Q780-V834 HydrophobicContact CB-CG2 4.12Å; Q780-V834 PolarHBondContact O-N 2.9Å; L782-V834 HydrophobicContact CB-CG2 4.05Å; T832-V834 PolarHBondContact O-N 2.97Å; V834-M839 HydrophobicContact CG1-CB 4.25Å; V834-M839 HydrophobicContact CG1-CG 4.09Å; V834-M839 HydrophobicContact CG1-SD 4.04Å; V834-K840 HydrophobicContact CG1-CG 3.71Å; V834-K840 WeakPolarHBondContact O-CE 3.33Å; V834-K840 PolarHBondContact O-NZ 2.95Å
835	K	71	Confident	80.7	Confident	145 Å²	145	61.2 Å²	61.2	63%	0.63	30%	0.304	S	S	*	.			trans	-102.4	-27.2	179	-61	-169.3	-170.8	-126.2	0	113.7	E833 S837	E833-K835 HydrophobicContact CG-CG 4.24Å; E833-K835 PolarHBondContact O-N 3.25Å; E833-K835 VanDerWaalsContact O-N 3.12Å; E833-K835 WeakPolarHBondContact OE2-CE 3.47Å; E833-K835 IonicContact OE2-NZ 2.64Å; E833-K835 PolarHBondContact OE2-NZ 2.99Å; K835-S837 PolarHBondContact O-N 2.89Å
836	D	72.1	Confident	80	Confident	81 Å²	81	64.8 Å²	64.8	43%	0.433	32%	0.323	S	S	.	.			trans	-69	124.5	178.8	174	29.5	0	0	0	111.1	S838 M839 K840	D836-S838 VanDerWaalsContact C-N 3.31Å; D836-S838 WeakPolarHBondContact OD1-CB 3.43Å; D836-S838 PolarHBondContact OD1-N 3.21Å; D836-S838 WeakPolarHBondContact OD2-CB 3.28Å; D836-M839 HydrophobicContact CB-CB 4.06Å; D836-M839 WeakPolarHBondContact OD2-CB 3.34Å; D836-M839 PolarHBondContact OD2-N 2.92Å; D836-K840 WeakPolarHBondContact O-CG 3.49Å; D836-K840 PolarHBondContact O-N 2.75Å; D836-K840 VanDerWaalsContact O-N 3.09Å
837	S	72.5	Confident	79.2	Confident	90 Å²	90	67.6 Å²	67.6	63%	0.629	34%	0.336	S	S	*	.	H	α-helix	trans	-71.7	-25.2	176.3	53.8	0	0	0	0	112.6	K835 R841	K835-S837 PolarHBondContact O-N 2.89Å; S837-R841 WeakPolarHBondContact O-CB 3.45Å; S837-R841 PolarHBondContact O-N 2.8Å
838	S	73.7	Confident	78.7	Confident	70 Å²	70	72 Å²	72	49%	0.49	36%	0.357	S	S	.	.	H	α-helix	trans	-69.7	-50.8	174.7	-162.4	0	0	0	0	110.6	D836 K840 R841 E842	D836-S838 VanDerWaalsContact C-N 3.31Å; D836-S838 WeakPolarHBondContact OD1-CB 3.43Å; D836-S838 PolarHBondContact OD1-N 3.21Å; D836-S838 WeakPolarHBondContact OD2-CB 3.28Å; S838-K840 PolarHBondContact O-N 2.96Å; S838-R841 WeakPolarHBondContact O-CB 3.32Å; S838-R841 PolarHBondContact O-N 3.12Å; S838-R841 VanDerWaalsContact O-N 3.1Å; S838-E842 PolarHBondContact O-N 2.97Å
839	M	69.5	Low	78.4	Confident	69 Å²	69	72.6 Å²	72.6	34%	0.34	36%	0.358	S	S	.	.	H	α-helix	trans	-55.7	-48.2	171.9	-173.1	174.2	-71.1	0	0	111.7	L782 V834 D836 R841 E842 N843	L782-M839 HydrophobicContact CD2-CE 4.22Å; L782-M839 HydrophobicContact CD2-SD 4.03Å; V834-M839 HydrophobicContact CG1-CB 4.25Å; V834-M839 HydrophobicContact CG1-CG 4.09Å; V834-M839 HydrophobicContact CG1-SD 4.04Å; D836-M839 HydrophobicContact CB-CB 4.06Å; D836-M839 WeakPolarHBondContact OD2-CB 3.34Å; D836-M839 PolarHBondContact OD2-N 2.92Å; M839-R841 VanDerWaalsContact C-N 3.28Å; M839-R841 PolarHBondContact O-N 2.89Å; M839-E842 PolarHBondContact O-N 2.89Å; M839-E842 VanDerWaalsContact O-N 3.14Å; M839-N843 WeakPolarHBondContact O-CB 3.38Å; M839-N843 PolarHBondContact O-N 2.71Å; M839-N843 PolarHBondContact O-ND2 2.93Å; M839-N843 PolarHBondContact O-OD1 2.98Å
840	K	68.8	Low	78.3	Confident	97 Å²	97	68.3 Å²	68.3	42%	0.422	34%	0.339	S	S	.	.	H	α-helix	trans	-56.4	-40.6	175	-73	-172.8	-175.4	-173.5	0	113.2	V834 D836 S838 N843 M844	V834-K840 HydrophobicContact CG1-CG 3.71Å; V834-K840 WeakPolarHBondContact O-CE 3.33Å; V834-K840 PolarHBondContact O-NZ 2.95Å; D836-K840 WeakPolarHBondContact O-CG 3.49Å; D836-K840 PolarHBondContact O-N 2.75Å; D836-K840 VanDerWaalsContact O-N 3.09Å; S838-K840 PolarHBondContact O-N 2.96Å; K840-N843 PolarHBondContact O-N 3.08Å; K840-M844 VanDerWaalsContact O-CB 3.32Å; K840-M844 WeakPolarHBondContact O-CB 3.22Å; K840-M844 PolarHBondContact O-N 3.23Å
841	R	73	Confident	78	Confident	183 Å²	183	71 Å²	71	69%	0.691	35%	0.351	S	S	*	.	H	α-helix	trans	-64.2	-42.9	177.4	-172.3	-176.6	-66.2	-167.4	-2.5	111.3	S837 S838 M839 M844 K845	S837-R841 WeakPolarHBondContact O-CB 3.45Å; S837-R841 PolarHBondContact O-N 2.8Å; S838-R841 WeakPolarHBondContact O-CB 3.32Å; S838-R841 PolarHBondContact O-N 3.12Å; S838-R841 VanDerWaalsContact O-N 3.1Å; M839-R841 VanDerWaalsContact C-N 3.28Å; M839-R841 PolarHBondContact O-N 2.89Å; R841-M844 PolarHBondContact O-N 2.79Å; R841-K845 WeakPolarHBondContact O-CG 3.33Å; R841-K845 PolarHBondContact O-N 3.39Å
842	E	72.2	Confident	78.1	Confident	79 Å²	79	74.1 Å²	74.1	37%	0.369	37%	0.365	S	S	.	.	H	α-helix	trans	-69.2	-39.3	178.3	-157.7	59.4	-142.7	0	0	112.2	S838 M839 M844 K845 N846	S838-E842 PolarHBondContact O-N 2.97Å; M839-E842 PolarHBondContact O-N 2.89Å; M839-E842 VanDerWaalsContact O-N 3.14Å; E842-M844 VanDerWaalsContact C-N 3.31Å; E842-M844 PolarHBondContact O-N 3.06Å; E842-K845 PolarHBondContact O-N 2.93Å; E842-K845 IonicContact OE1-NZ 3.22Å; E842-K845 WeakPolarHBondContact OE2-CE 3.24Å; E842-K845 IonicContact OE2-NZ 3.19Å; E842-K845 PolarHBondContact OE2-NZ 3.22Å; E842-N846 PolarHBondContact O-N 2.85Å; E842-N846 PolarHBondContact O-ND2 3.08Å
843	N	68.7	Low	78.3	Confident	20 Å²	20	70.8 Å²	70.8	11%	0.107	35%	0.345	C	S	.	.	H	α-helix	trans	-60	-44.4	172.9	-57.6	-10.1	0	0	0	110.7	Q802 M839 K840 N846 F847	Q802-N843 VanDerWaalsContact CD-CG 3.41Å; Q802-N843 PolarHBondContact NE2-ND2 2.96Å; Q802-N843 PolarHBondContact NE2-OD1 2.9Å; Q802-N843 PolarHBondContact OE1-ND2 3.5Å; Q802-N843 PolarHBondContact OE1-OD1 2.88Å; M839-N843 WeakPolarHBondContact O-CB 3.38Å; M839-N843 PolarHBondContact O-N 2.71Å; M839-N843 PolarHBondContact O-ND2 2.93Å; M839-N843 PolarHBondContact O-OD1 2.98Å; K840-N843 PolarHBondContact O-N 3.08Å; N843-N846 PolarHBondContact O-N 3.46Å; N843-F847 WeakPolarHBondContact O-CB 3.3Å; N843-F847 PolarHBondContact O-N 2.93Å
844	M	72.4	Confident	78.7	Confident	82 Å²	82	72.8 Å²	72.8	40%	0.404	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-42	176.8	-171.2	62.3	72.3	0	0	112	K840 R841 E842 N846 F847 M848	K840-M844 VanDerWaalsContact O-CB 3.32Å; K840-M844 WeakPolarHBondContact O-CB 3.22Å; K840-M844 PolarHBondContact O-N 3.23Å; R841-M844 PolarHBondContact O-N 2.79Å; E842-M844 VanDerWaalsContact C-N 3.31Å; E842-M844 PolarHBondContact O-N 3.06Å; M844-N846 PolarHBondContact O-N 3.25Å; M844-F847 PolarHBondContact O-N 3.28Å; M844-M848 HydrophobicContact CG-CG 4.39Å; M844-M848 WeakPolarHBondContact O-CB 3.48Å; M844-M848 VanDerWaalsContact O-CG 3.23Å; M844-M848 WeakPolarHBondContact O-CG 3.17Å; M844-M848 PolarHBondContact O-N 3.04Å; M844-M848 HydrophobicContact SD-CE 3.59Å; M844-M848 VanDerWaalsContact SD-CE 3.59Å; M844-M848 HydrophobicContact SD-CG 4.33Å
845	K	79.4	Confident	79.3	Confident	98 Å²	98	74.4 Å²	74.4	43%	0.426	37%	0.367	S	S	.	.	H	α-helix	trans	-57.4	-48.6	172.5	-70.8	179.6	-166.8	166.1	0	111.7	R841 E842 F847 M848 L849	R841-K845 WeakPolarHBondContact O-CG 3.33Å; R841-K845 PolarHBondContact O-N 3.39Å; E842-K845 PolarHBondContact O-N 2.93Å; E842-K845 IonicContact OE1-NZ 3.22Å; E842-K845 WeakPolarHBondContact OE2-CE 3.24Å; E842-K845 IonicContact OE2-NZ 3.19Å; E842-K845 PolarHBondContact OE2-NZ 3.22Å; K845-F847 VanDerWaalsContact C-N 3.34Å; K845-F847 PolarHBondContact O-N 3.24Å; K845-M848 PolarHBondContact O-N 3.17Å; K845-L849 WeakPolarHBondContact O-CB 3.43Å; K845-L849 PolarHBondContact O-N 3.02Å
846	N	77.9	Confident	80.5	Confident	76 Å²	76	68.3 Å²	68.3	41%	0.406	34%	0.344	S	S	.	.	H	α-helix	trans	-65.2	-37.8	-178	-76.4	-70.8	0	0	0	111.9	E842 N843 M844 M850	E842-N846 PolarHBondContact O-N 2.85Å; E842-N846 PolarHBondContact O-ND2 3.08Å; N843-N846 PolarHBondContact O-N 3.46Å; M844-N846 PolarHBondContact O-N 3.25Å; N846-M850 WeakPolarHBondContact O-CB 3.36Å; N846-M850 PolarHBondContact O-N 2.83Å; N846-M850 VanDerWaalsContact O-N 3.1Å
847	F	77.7	Confident	81.6	Confident	58 Å²	58	66.5 Å²	66.5	25%	0.254	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-48.3	171.5	179.3	-92.2	0	0	0	111.9	N843 M844 K845 L849 M850 E851	N843-F847 WeakPolarHBondContact O-CB 3.3Å; N843-F847 PolarHBondContact O-N 2.93Å; M844-F847 PolarHBondContact O-N 3.28Å; K845-F847 VanDerWaalsContact C-N 3.34Å; K845-F847 PolarHBondContact O-N 3.24Å; F847-L849 PolarHBondContact O-N 2.83Å; F847-M850 WeakPolarHBondContact O-CA 3.42Å; F847-M850 WeakPolarHBondContact O-CB 3.34Å; F847-M850 PolarHBondContact O-N 2.88Å; F847-M850 VanDerWaalsContact O-N 3.09Å; F847-E851 HydrophobicContact CD1-CG 4.34Å; F847-E851 HydrophobicContact CE1-CG 3.85Å; F847-E851 HydrophobicContact CZ-CG 3.96Å; F847-E851 PolarHBondContact O-N 2.85Å
848	M	83.2	Confident	82.6	Confident	102 Å²	102	69.5 Å²	69.5	50%	0.502	33%	0.329	S	S	.	.	H	α-helix	trans	-65.5	-39.1	-179.7	-68.7	-65.4	167.4	0	0	112.4	M844 K845 M850 E851 E852	M844-M848 HydrophobicContact CG-CG 4.39Å; M844-M848 WeakPolarHBondContact O-CB 3.48Å; M844-M848 VanDerWaalsContact O-CG 3.23Å; M844-M848 WeakPolarHBondContact O-CG 3.17Å; M844-M848 PolarHBondContact O-N 3.04Å; M844-M848 HydrophobicContact SD-CE 3.59Å; M844-M848 VanDerWaalsContact SD-CE 3.59Å; M844-M848 HydrophobicContact SD-CG 4.33Å; K845-M848 PolarHBondContact O-N 3.17Å; M848-M850 VanDerWaalsContact C-N 3.26Å; M848-M850 PolarHBondContact O-N 3.07Å; M848-E851 PolarHBondContact O-N 3.31Å; M848-E852 WeakPolarHBondContact O-CB 3.43Å; M848-E852 PolarHBondContact O-N 3.3Å
849	L	87.8	Confident	83.6	Confident	30 Å²	30	69.5 Å²	69.5	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-60.8	-36.7	171.6	-177.5	67.2	0	0	0	111.6	T523 L526 L540 K845 F847 A853	T523-L849 HydrophobicContact CG2-CD2 4.46Å; L526-L849 HydrophobicContact CD1-CD1 4.48Å; L540-L849 HydrophobicContact CD2-CD1 3.76Å; K845-L849 WeakPolarHBondContact O-CB 3.43Å; K845-L849 PolarHBondContact O-N 3.02Å; F847-L849 PolarHBondContact O-N 2.83Å; L849-A853 VanDerWaalsContact O-CB 3.26Å; L849-A853 WeakPolarHBondContact O-CB 3.46Å; L849-A853 PolarHBondContact O-N 2.98Å
850	M	87.6	Confident	84.7	Confident	34 Å²	34	69.2 Å²	69.2	17%	0.167	32%	0.321	C	S	.	.	H	α-helix	trans	-70.6	-39.4	177.3	-168.3	53	54.6	0	0	112.4	L543 E547 N846 F847 M848 A853 K854	L543-M850 HydrophobicContact CD2-CE 4.15Å; L543-M850 HydrophobicContact CG-CE 4.28Å; E547-M850 HydrophobicContact CB-SD 4.24Å; E547-M850 HydrophobicContact CG-CE 3.67Å; E547-M850 HydrophobicContact CG-SD 3.85Å; E547-M850 WeakPolarHBondContact OE1-CE 3.48Å; N846-M850 WeakPolarHBondContact O-CB 3.36Å; N846-M850 PolarHBondContact O-N 2.83Å; N846-M850 VanDerWaalsContact O-N 3.1Å; F847-M850 WeakPolarHBondContact O-CA 3.42Å; F847-M850 WeakPolarHBondContact O-CB 3.34Å; F847-M850 PolarHBondContact O-N 2.88Å; F847-M850 VanDerWaalsContact O-N 3.09Å; M848-M850 VanDerWaalsContact C-N 3.26Å; M848-M850 PolarHBondContact O-N 3.07Å; M850-A853 PolarHBondContact O-N 3.47Å; M850-K854 HydrophobicContact CG-CD 4.44Å; M850-K854 WeakPolarHBondContact O-CB 3.46Å; M850-K854 WeakPolarHBondContact O-CD 3.34Å; M850-K854 VanDerWaalsContact O-CG 3.22Å; M850-K854 WeakPolarHBondContact O-CG 3.35Å; M850-K854 PolarHBondContact O-N 2.86Å
851	E	86.7	Confident	85.9	Confident	63 Å²	63	66.9 Å²	66.9	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-70.7	-36.1	174.1	-66.9	-50.7	124.7	0	0	112.5	F847 M848 K854 A855	F847-E851 HydrophobicContact CD1-CG 4.34Å; F847-E851 HydrophobicContact CE1-CG 3.85Å; F847-E851 HydrophobicContact CZ-CG 3.96Å; F847-E851 PolarHBondContact O-N 2.85Å; M848-E851 PolarHBondContact O-N 3.31Å; E851-K854 PolarHBondContact O-N 3.11Å; E851-K854 VanDerWaalsContact OE1-CD 3.28Å; E851-K854 WeakPolarHBondContact OE1-CD 3.31Å; E851-K854 WeakPolarHBondContact OE1-CE 3.38Å; E851-K854 IonicContact OE1-NZ 2.69Å; E851-K854 PolarHBondContact OE1-NZ 3.21Å; E851-A855 WeakPolarHBondContact O-CB 2.93Å; E851-A855 PolarHBondContact O-N 3.44Å
852	E	92.8	Very high	86.7	Confident	73 Å²	73	61.3 Å²	61.3	34%	0.341	30%	0.3	S	S	.	.	H	α-helix	trans	-61.3	-46	170.4	-169.8	179.5	-164.3	0	0	110.9	Y536 L540 M848 A855 A856	Y536-E852 PolarHBondContact OH-OE2 2.8Å; Y536-E852 VanDerWaalsContact OH-OE2 3.07Å; L540-E852 HydrophobicContact CD1-CG 3.8Å; L540-E852 HydrophobicContact CD2-CB 4.33Å; L540-E852 HydrophobicContact CD2-CG 4.11Å; M848-E852 WeakPolarHBondContact O-CB 3.43Å; M848-E852 PolarHBondContact O-N 3.3Å; E852-A855 WeakPolarHBondContact O-CB 3.35Å; E852-A855 PolarHBondContact O-N 3.42Å; E852-A855 VanDerWaalsContact O-N 3.15Å; E852-A856 PolarHBondContact O-N 2.9Å
853	A	93.2	Very high	87.5	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-47.5	175	0	0	0	0	0	112.1	L540 L543 A544 L849 M850 A855 A856 Y857	L540-A853 HydrophobicContact CB-CB 4.46Å; L540-A853 HydrophobicContact CD2-CB 4.04Å; L540-A853 WeakPolarHBondContact O-CB 3.35Å; L543-A853 HydrophobicContact CD2-CB 4.35Å; A544-A853 HydrophobicContact CB-CB 3.95Å; A544-A853 WeakPolarHBondContact CB-O 3.29Å; L849-A853 VanDerWaalsContact O-CB 3.26Å; L849-A853 WeakPolarHBondContact O-CB 3.46Å; L849-A853 PolarHBondContact O-N 2.98Å; M850-A853 PolarHBondContact O-N 3.47Å; A853-A855 VanDerWaalsContact C-N 3.26Å; A853-A855 PolarHBondContact O-N 2.66Å; A853-A856 PolarHBondContact O-N 2.86Å; A853-Y857 WeakPolarHBondContact O-CB 3.28Å; A853-Y857 PolarHBondContact O-N 2.84Å
854	K	92.2	Very high	88.3	Confident	73 Å²	73	67.7 Å²	67.7	32%	0.317	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-31.8	174.1	-72.6	164.8	-177.6	172.9	0	112.4	M850 E851 R858	M850-K854 HydrophobicContact CG-CD 4.44Å; M850-K854 WeakPolarHBondContact O-CB 3.46Å; M850-K854 WeakPolarHBondContact O-CD 3.34Å; M850-K854 VanDerWaalsContact O-CG 3.22Å; M850-K854 WeakPolarHBondContact O-CG 3.35Å; M850-K854 PolarHBondContact O-N 2.86Å; E851-K854 PolarHBondContact O-N 3.11Å; E851-K854 VanDerWaalsContact OE1-CD 3.28Å; E851-K854 WeakPolarHBondContact OE1-CD 3.31Å; E851-K854 WeakPolarHBondContact OE1-CE 3.38Å; E851-K854 IonicContact OE1-NZ 2.69Å; E851-K854 PolarHBondContact OE1-NZ 3.21Å; K854-R858 WeakPolarHBondContact O-CB 3.41Å; K854-R858 VanDerWaalsContact O-CG 3.27Å; K854-R858 WeakPolarHBondContact O-CG 3.48Å; K854-R858 PolarHBondContact O-N 3.26Å; K854-R858 PolarHBondContact O-NE 3.17Å
855	A	93.9	Very high	88.4	Confident	40 Å²	40	69.1 Å²	69.1	33%	0.331	34%	0.335	S	S	.	.	H	α-helix	trans	-71.9	-49.7	174.4	0	0	0	0	0	111.5	E851 E852 A853 Y857 R858 V859	E851-A855 WeakPolarHBondContact O-CB 2.93Å; E851-A855 PolarHBondContact O-N 3.44Å; E852-A855 WeakPolarHBondContact O-CB 3.35Å; E852-A855 PolarHBondContact O-N 3.42Å; E852-A855 VanDerWaalsContact O-N 3.15Å; A853-A855 VanDerWaalsContact C-N 3.26Å; A853-A855 PolarHBondContact O-N 2.66Å; A855-Y857 PolarHBondContact O-N 3.42Å; A855-R858 WeakPolarHBondContact O-CB 3.46Å; A855-R858 PolarHBondContact O-N 2.89Å; A855-V859 WeakPolarHBondContact O-CG2 3.35Å; A855-V859 PolarHBondContact O-N 2.84Å
856	A	95	Very high	87.4	Confident	17 Å²	17	72.3 Å²	72.3	14%	0.14	35%	0.35	C	S	.	.	H	α-helix	trans	-57.6	-46.5	177.5	0	0	0	0	0	112	L540 V541 E852 A853 R858 V859 R860	L540-A856 HydrophobicContact CB-CB 3.85Å; L540-A856 HydrophobicContact CD1-CB 4.31Å; V541-A856 HydrophobicContact CG2-CB 3.96Å; E852-A856 PolarHBondContact O-N 2.9Å; A853-A856 PolarHBondContact O-N 2.86Å; A856-R858 PolarHBondContact O-N 2.95Å; A856-V859 PolarHBondContact O-N 2.97Å; A856-V859 VanDerWaalsContact O-N 3.15Å; A856-R860 PolarHBondContact O-N 3.25Å
857	Y	95.3	Very high	86.3	Confident	42 Å²	42	75.2 Å²	75.2	17%	0.165	37%	0.365	C	S	.	.	H	α-helix	trans	-61.5	-40.8	175.9	172.1	-82.8	0	0	0	112.7	Y453 A544 K548 A853 A855 V859 R860 K861	Y453-Y857 HydrophobicContact CE2-CD2 4.18Å; Y453-Y857 HydrophobicContact CE2-CE2 4.12Å; A544-Y857 HydrophobicContact CB-CD2 4.44Å; A544-Y857 HydrophobicContact CB-CG 4.11Å; K548-Y857 HydrophobicContact CD-CE2 4.29Å; K548-Y857 WeakPolarHBondContact CD-OH 3.39Å; K548-Y857 WeakPolarHBondContact CE-OH 3.48Å; K548-Y857 PolarHBondContact NZ-OH 2.67Å; A853-Y857 WeakPolarHBondContact O-CB 3.28Å; A853-Y857 PolarHBondContact O-N 2.84Å; A855-Y857 PolarHBondContact O-N 3.42Å; Y857-V859 VanDerWaalsContact C-N 3.29Å; Y857-V859 PolarHBondContact O-N 2.77Å; Y857-R860 PolarHBondContact O-N 3.3Å; Y857-K861 HydrophobicContact CD1-CG 4.28Å; Y857-K861 HydrophobicContact CE1-CG 3.69Å; Y857-K861 HydrophobicContact CE2-CD 4.45Å; Y857-K861 HydrophobicContact CE2-CG 4.06Å; Y857-K861 PolarHBondContact O-N 3.32Å; Y857-K861 VanDerWaalsContact OH-CE 3.31Å; Y857-K861 WeakPolarHBondContact OH-CE 3.42Å
858	R	94.2	Very high	84.6	Confident	153 Å²	153	75 Å²	75	58%	0.577	38%	0.379	S	S	*	.	H	α-helix	trans	-60.6	-38.3	174	-80.7	177.7	-71.4	168.7	-4	111.9	K854 A855 A856 S862	K854-R858 WeakPolarHBondContact O-CB 3.41Å; K854-R858 VanDerWaalsContact O-CG 3.27Å; K854-R858 WeakPolarHBondContact O-CG 3.48Å; K854-R858 PolarHBondContact O-N 3.26Å; K854-R858 PolarHBondContact O-NE 3.17Å; A855-R858 WeakPolarHBondContact O-CB 3.46Å; A855-R858 PolarHBondContact O-N 2.89Å; A856-R858 PolarHBondContact O-N 2.95Å; R858-S862 PolarHBondContact O-N 2.84Å; R858-S862 VanDerWaalsContact O-N 3.09Å; R858-S862 PolarHBondContact O-OG 2.89Å
859	V	94.4	Very high	82.2	Confident	70 Å²	70	79.4 Å²	79.4	42%	0.424	40%	0.396	S	S	.	.	H	α-helix	trans	-71.9	-37.9	176	175.3	0	0	0	0	112.2	A855 A856 Y857 S862 R863	A855-V859 WeakPolarHBondContact O-CG2 3.35Å; A855-V859 PolarHBondContact O-N 2.84Å; A856-V859 PolarHBondContact O-N 2.97Å; A856-V859 VanDerWaalsContact O-N 3.15Å; Y857-V859 VanDerWaalsContact C-N 3.29Å; Y857-V859 PolarHBondContact O-N 2.77Å; V859-S862 PolarHBondContact O-OG 3.02Å; V859-S862 VanDerWaalsContact O-OG 3.08Å; V859-R863 WeakPolarHBondContact O-CG 3.44Å; V859-R863 PolarHBondContact O-N 3.1Å
860	R	93.4	Very high	79.9	Confident	63 Å²	63	81.4 Å²	81.4	24%	0.238	41%	0.41	C	S	.	.	H	α-helix	trans	-62.6	-49	174	-173.4	74.7	158.2	83.4	-8.7	110.7	E450 Y453 E454 V541 A856 Y857 S862 R863 E864	E450-R860 IonicContact OE2-CZ 2.93Å; E450-R860 IonicContact OE2-NE 3.55Å; E450-R860 PolarHBondContact OE2-NE 2.76Å; E450-R860 IonicContact OE2-NH2 2.68Å; E450-R860 PolarHBondContact OE2-NH2 2.96Å; Y453-R860 HydrophobicContact CE1-CG 4.05Å; Y453-R860 WeakPolarHBondContact OH-CG 3.35Å; E454-R860 IonicContact OE1-NH2 3.67Å; V541-R860 HydrophobicContact CG1-CB 3.99Å; V541-R860 HydrophobicContact CG1-CG 3.82Å; V541-R860 HydrophobicContact CG2-CB 4.01Å; V541-R860 HydrophobicContact CG2-CG 4.48Å; A856-R860 PolarHBondContact O-N 3.25Å; Y857-R860 PolarHBondContact O-N 3.3Å; R860-S862 PolarHBondContact O-N 3.16Å; R860-R863 PolarHBondContact O-N 3.01Å; R860-E864 WeakPolarHBondContact CG-OE1 3.48Å; R860-E864 IonicContact CZ-OE1 2.99Å; R860-E864 IonicContact NE-OE1 2.62Å; R860-E864 IonicContact NH1-OE1 2.79Å; R860-E864 PolarHBondContact NH1-OE1 3.17Å; R860-E864 PolarHBondContact O-N 3.22Å; R860-E864 VanDerWaalsContact O-N 3.1Å
861	K	92.4	Very high	77.6	Confident	48 Å²	48	89.4 Å²	89.4	21%	0.209	44%	0.439	C	S	.	.	H	α-helix	trans	-65	-36.5	179.4	-71.2	-46.1	-164.7	-168.4	0	114	Y453 E457 Y857 R863 E864 T865	Y453-K861 WeakPolarHBondContact OH-CD 3.47Å; Y453-K861 WeakPolarHBondContact OH-CE 3.24Å; Y453-K861 PolarHBondContact OH-NZ 2.87Å; E457-K861 WeakPolarHBondContact OE2-CE 3.43Å; E457-K861 IonicContact OE2-NZ 2.84Å; E457-K861 PolarHBondContact OE2-NZ 3.17Å; Y857-K861 HydrophobicContact CD1-CG 4.28Å; Y857-K861 HydrophobicContact CE1-CG 3.69Å; Y857-K861 HydrophobicContact CE2-CD 4.45Å; Y857-K861 HydrophobicContact CE2-CG 4.06Å; Y857-K861 PolarHBondContact O-N 3.32Å; Y857-K861 VanDerWaalsContact OH-CE 3.31Å; Y857-K861 WeakPolarHBondContact OH-CE 3.42Å; K861-R863 VanDerWaalsContact C-N 3.3Å; K861-R863 PolarHBondContact O-N 3.48Å; K861-E864 WeakPolarHBondContact CD-OE2 3.46Å; K861-E864 WeakPolarHBondContact CE-OE2 3.41Å; K861-E864 IonicContact NZ-OE1 3.89Å; K861-E864 IonicContact NZ-OE2 3.47Å; K861-E864 PolarHBondContact NZ-OE2 2.82Å; K861-E864 PolarHBondContact O-N 3.3Å; K861-T865 WeakPolarHBondContact O-CG2 3.27Å; K861-T865 PolarHBondContact O-N 2.66Å; K861-T865 PolarHBondContact O-OG1 2.96Å
862	S	91	Very high	75.2	Confident	67 Å²	67	93.4 Å²	93.4	47%	0.469	46%	0.459	S	S	.	.	H	α-helix	trans	-65.7	-33.8	177.1	66.9	0	0	0	0	112.6	R858 V859 R860 T865	R858-S862 PolarHBondContact O-N 2.84Å; R858-S862 VanDerWaalsContact O-N 3.09Å; R858-S862 PolarHBondContact O-OG 2.89Å; V859-S862 PolarHBondContact O-OG 3.02Å; V859-S862 VanDerWaalsContact O-OG 3.08Å; R860-S862 PolarHBondContact O-N 3.16Å; S862-T865 WeakPolarHBondContact CA-OG1 3.45Å; S862-T865 PolarHBondContact O-OG1 2.94Å
863	R	89.4	Confident	72.8	Confident	170 Å²	170	97.8 Å²	97.8	64%	0.642	48%	0.477	S	S	*	.	H	α-helix	trans	-67.8	-47.5	172.7	-67.4	171.8	-178.9	178.5	1.4	112	V859 R860 K861 T865 F866 D867	V859-R863 WeakPolarHBondContact O-CG 3.44Å; V859-R863 PolarHBondContact O-N 3.1Å; R860-R863 PolarHBondContact O-N 3.01Å; K861-R863 VanDerWaalsContact C-N 3.3Å; K861-R863 PolarHBondContact O-N 3.48Å; R863-T865 VanDerWaalsContact C-N 3.27Å; R863-T865 PolarHBondContact O-N 2.98Å; R863-F866 WeakPolarHBondContact O-CB 3.36Å; R863-F866 PolarHBondContact O-N 3.43Å; R863-D867 PolarHBondContact O-N 3.4Å
864	E	85.6	Confident	70.7	Confident	63 Å²	63	102 Å²	102	29%	0.294	50%	0.5	S	S	.	.	H	α-helix	trans	-56.3	-39.3	175.6	-75.4	166.6	-152	0	0	112.8	Y453 R860 K861 F866	Y453-E864 WeakPolarHBondContact CE1-OE1 3.39Å; Y453-E864 VanDerWaalsContact OH-CD 3.3Å; Y453-E864 PolarHBondContact OH-OE1 3.17Å; Y453-E864 PolarHBondContact OH-OE2 2.82Å; R860-E864 WeakPolarHBondContact CG-OE1 3.48Å; R860-E864 IonicContact CZ-OE1 2.99Å; R860-E864 IonicContact NE-OE1 2.62Å; R860-E864 IonicContact NH1-OE1 2.79Å; R860-E864 PolarHBondContact NH1-OE1 3.17Å; R860-E864 PolarHBondContact O-N 3.22Å; R860-E864 VanDerWaalsContact O-N 3.1Å; K861-E864 WeakPolarHBondContact CD-OE2 3.46Å; K861-E864 WeakPolarHBondContact CE-OE2 3.41Å; K861-E864 IonicContact NZ-OE1 3.89Å; K861-E864 IonicContact NZ-OE2 3.47Å; K861-E864 PolarHBondContact NZ-OE2 2.82Å; K861-E864 PolarHBondContact O-N 3.3Å; E864-F866 PolarHBondContact O-N 2.88Å
865	T	73.4	Confident	68.5	Low	112 Å²	112	102.5 Å²	102.5	69%	0.687	51%	0.505	S	S	*	.	H	α-helix	trans	-70	-10.6	176.1	53.1	0	0	0	0	114.6	K861 S862 R863	K861-T865 WeakPolarHBondContact O-CG2 3.27Å; K861-T865 PolarHBondContact O-N 2.66Å; K861-T865 PolarHBondContact O-OG1 2.96Å; S862-T865 WeakPolarHBondContact CA-OG1 3.45Å; S862-T865 PolarHBondContact O-OG1 2.94Å; R863-T865 VanDerWaalsContact C-N 3.27Å; R863-T865 PolarHBondContact O-N 2.98Å
866	F	58.2	Low	66.1	Low	165 Å²	165	108.5 Å²	108.5	72%	0.724	52%	0.519	S	S	*	.	H	α-helix	trans	-93.9	-39.4	-179.6	-169	-96.1	0	0	0	112.8	R863 E864 G868	R863-F866 WeakPolarHBondContact O-CB 3.36Å; R863-F866 PolarHBondContact O-N 3.43Å; E864-F866 PolarHBondContact O-N 2.88Å; F866-G868 PolarHBondContact O-N 3.3Å
867	D	55	Low	63.9	Low	136 Å²	136	111.7 Å²	111.7	73%	0.727	53%	0.534	S	S	*	.	H	α-helix	trans	-71.3	-15.7	175.1	-71.8	-32.4	0	0	0	112.8	R863 F869	R863-D867 PolarHBondContact O-N 3.4Å; D867-F869 VanDerWaalsContact C-N 3.29Å; D867-F869 PolarHBondContact O-N 3.06Å
868	G	42	Very low	61.7	Low	54 Å²	54	112.6 Å²	112.6	56%	0.557	55%	0.546	S	S	*	.	S	Bend	trans	-65.9	81.6	166.9	0	0	0	0	0	112.6	F866	F866-G868 PolarHBondContact O-N 3.3Å
869	F	33.4	Very low	59.4	Low	195 Å²	195	110.2 Å²	110.2	86%	0.855	55%	0.545	S	S	*	.			trans	-14.1	107.8	177.6	-119.8	-82.5	0	0	0	114.2	D867 R871	D867-F869 VanDerWaalsContact C-N 3.29Å; D867-F869 PolarHBondContact O-N 3.06Å; F869-R871 PolarHBondContact O-N 3.44Å
870	P	39	Very low	57.2	Low	71 Å²	71	115 Å²	115	46%	0.461	56%	0.555	S	S	.	*			trans	-54.8	129.5	-177.8	-27	33.8	0	0	0	110.9	M872 I875	P870-M872 PolarHBondContact O-N 3.26Å; P870-I875 HydrophobicContact CB-CD1 4.16Å; P870-I875 HydrophobicContact CB-CG1 4.12Å
871	R	38.3	Very low	55.2	Low	203 Å²	203	115.7 Å²	115.7	77%	0.766	56%	0.564	S	S	*	*			trans	-59	134.1	179.1	-59.2	-173.7	-174.4	-149.4	2.7	107.1	F869 K873 D874	F869-R871 PolarHBondContact O-N 3.44Å; R871-K873 PolarHBondContact O-N 3.37Å; R871-D874 PolarHBondContact O-N 3.41Å
872	M	36.5	Very low	53	Low	147 Å²	147	118.6 Å²	118.6	72%	0.724	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-2.2	-169.4	-158.8	-172.7	-72.9	0	0	115.3	P870	P870-M872 PolarHBondContact O-N 3.26Å
873	K	43.1	Very low	50.8	Low	165 Å²	165	117.2 Å²	117.2	72%	0.717	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-35.7	171.2	-56.8	-176.8	-177.9	-177.8	0	111.9	R871 R876 N877	R871-K873 PolarHBondContact O-N 3.37Å; K873-R876 WeakPolarHBondContact O-CB 3.35Å; K873-R876 PolarHBondContact O-N 2.57Å; K873-N877 PolarHBondContact O-N 3.03Å
874	D	48.8	Very low	48.9	Very low	87 Å²	87	115.2 Å²	115.2	47%	0.465	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.4	-41.3	-169.2	-52.2	-45.1	0	0	0	111.2	R871 R876 N877 S878	R871-D874 PolarHBondContact O-N 3.41Å; D874-R876 PolarHBondContact O-N 3.17Å; D874-N877 PolarHBondContact O-N 2.93Å; D874-S878 PolarHBondContact O-N 2.96Å
875	I	46.8	Very low	47.2	Very low	84 Å²	84	118.1 Å²	118.1	43%	0.431	59%	0.59	S	S	.	*	H	α-helix	trans	-56.9	-29.4	168.1	-60.3	169.7	0	0	0	111.4	P870 S878 N879	P870-I875 HydrophobicContact CB-CD1 4.16Å; P870-I875 HydrophobicContact CB-CG1 4.12Å; I875-S878 PolarHBondContact O-OG 3.26Å; I875-N879 PolarHBondContact O-N 2.68Å; I875-N879 PolarHBondContact O-ND2 2.79Å
876	R	43.9	Very low	45.9	Very low	166 Å²	166	123.9 Å²	123.9	63%	0.626	60%	0.599	S	S	*	*	H	α-helix	trans	-81	-15.9	178.8	-156.7	177.5	-65.9	-162.4	-2.2	113	K873 D874 R880	K873-R876 WeakPolarHBondContact O-CB 3.35Å; K873-R876 PolarHBondContact O-N 2.57Å; D874-R876 PolarHBondContact O-N 3.17Å; R876-R880 WeakPolarHBondContact O-CG 3.45Å
877	N	48.7	Very low	45.3	Very low	85 Å²	85	126.9 Å²	126.9	46%	0.455	61%	0.606	S	S	.	*	H	α-helix	trans	-91.2	-45.3	173.2	-72	-22.8	0	0	0	111.5	K873 D874 N879 R880 D881	K873-N877 PolarHBondContact O-N 3.03Å; D874-N877 PolarHBondContact O-N 2.93Å; N877-N879 VanDerWaalsContact C-N 3.29Å; N877-N879 PolarHBondContact O-N 3.02Å; N877-R880 WeakPolarHBondContact O-CA 3.48Å; N877-R880 WeakPolarHBondContact O-CB 3.36Å; N877-R880 PolarHBondContact O-N 3.02Å; N877-D881 PolarHBondContact O-N 2.98Å
878	S	48.1	Very low	44.5	Very low	61 Å²	61	134.4 Å²	134.4	43%	0.427	62%	0.624	S	S	.	*	H	α-helix	trans	-57.6	-40.8	177.5	59.1	0	0	0	0	112.7	D874 I875 R880 D881 L882	D874-S878 PolarHBondContact O-N 2.96Å; I875-S878 PolarHBondContact O-OG 3.26Å; S878-R880 VanDerWaalsContact C-N 3.25Å; S878-R880 PolarHBondContact O-N 3.23Å; S878-D881 PolarHBondContact O-N 3.45Å; S878-L882 WeakPolarHBondContact O-CG 3.16Å; S878-L882 PolarHBondContact O-N 2.97Å
879	N	46.3	Very low	44.7	Very low	103 Å²	103	138.4 Å²	138.4	55%	0.551	63%	0.627	S	S	*	*	H	α-helix	trans	-64.2	-24.2	173.4	-82.8	-75.3	0	0	0	114.1	I875 N877 G883	I875-N879 PolarHBondContact O-N 2.68Å; I875-N879 PolarHBondContact O-ND2 2.79Å; N877-N879 VanDerWaalsContact C-N 3.29Å; N877-N879 PolarHBondContact O-N 3.02Å; N879-G883 PolarHBondContact O-N 2.93Å; N879-G883 VanDerWaalsContact O-N 3.17Å
880	R	48.1	Very low	45.2	Very low	170 Å²	170	135.4 Å²	135.4	64%	0.642	62%	0.615	S	S	*	*	H	α-helix	trans	-76.6	-30.9	175.2	-78.7	175.5	162.8	-170.4	-5.8	112.6	R876 N877 S878 K884	R876-R880 WeakPolarHBondContact O-CG 3.45Å; N877-R880 WeakPolarHBondContact O-CA 3.48Å; N877-R880 WeakPolarHBondContact O-CB 3.36Å; N877-R880 PolarHBondContact O-N 3.02Å; S878-R880 VanDerWaalsContact C-N 3.25Å; S878-R880 PolarHBondContact O-N 3.23Å; R880-K884 WeakPolarHBondContact O-CG 3.42Å; R880-K884 PolarHBondContact O-N 3.08Å
881	D	50.6	Low	45.6	Very low	78 Å²	78	139 Å²	139	42%	0.417	62%	0.624	S	S	.	*	H	α-helix	trans	-87.2	-36.7	179.3	-67.1	-44.8	0	0	0	112.2	N877 S878 G883 K884 I885	N877-D881 PolarHBondContact O-N 2.98Å; S878-D881 PolarHBondContact O-N 3.45Å; D881-G883 PolarHBondContact O-N 3.24Å; D881-K884 WeakPolarHBondContact O-CB 3.26Å; D881-K884 PolarHBondContact O-N 3.29Å; D881-K884 WeakPolarHBondContact OD1-CD 3.36Å; D881-K884 WeakPolarHBondContact OD1-CE 3.46Å; D881-K884 IonicContact OD1-NZ 3.65Å; D881-K884 PolarHBondContact OD1-NZ 3.5Å; D881-I885 WeakPolarHBondContact O-CG1 3.35Å; D881-I885 PolarHBondContact O-N 2.65Å
882	L	47.1	Very low	46	Very low	108 Å²	108	135.2 Å²	135.2	57%	0.565	62%	0.615	S	S	*	*	H	α-helix	trans	-57.5	-36.2	165.2	-68.5	170.9	0	0	0	111.7	S878 K884 I885 R886	S878-L882 WeakPolarHBondContact O-CG 3.16Å; S878-L882 PolarHBondContact O-N 2.97Å; L882-K884 VanDerWaalsContact C-N 3.29Å; L882-K884 PolarHBondContact O-N 3.06Å; L882-I885 PolarHBondContact O-N 3.22Å; L882-R886 PolarHBondContact O-N 3.04Å
883	G	44.9	Very low	46.6	Very low	39 Å²	39	134.5 Å²	134.5	40%	0.402	61%	0.609	S	S	.	*	H	α-helix	trans	-69	-17.3	173.4	0	0	0	0	0	115.5	N879 D881	N879-G883 PolarHBondContact O-N 2.93Å; N879-G883 VanDerWaalsContact O-N 3.17Å; D881-G883 PolarHBondContact O-N 3.24Å
884	K	48.5	Very low	46.8	Very low	127 Å²	127	132.5 Å²	132.5	55%	0.552	60%	0.601	S	S	*	*	H	α-helix	trans	-89	-37.4	172.3	-67.7	166.7	-165.3	165.8	0	111.8	R880 D881 L882 R886 R887	R880-K884 WeakPolarHBondContact O-CG 3.42Å; R880-K884 PolarHBondContact O-N 3.08Å; D881-K884 WeakPolarHBondContact O-CB 3.26Å; D881-K884 PolarHBondContact O-N 3.29Å; D881-K884 WeakPolarHBondContact OD1-CD 3.36Å; D881-K884 WeakPolarHBondContact OD1-CE 3.46Å; D881-K884 IonicContact OD1-NZ 3.65Å; D881-K884 PolarHBondContact OD1-NZ 3.5Å; L882-K884 VanDerWaalsContact C-N 3.29Å; L882-K884 PolarHBondContact O-N 3.06Å; K884-R886 VanDerWaalsContact C-N 3.26Å; K884-R886 PolarHBondContact O-N 2.99Å; K884-R887 CarbonylContact O-C 3.54Å; K884-R887 PolarHBondContact O-N 3.04Å
885	I	49.4	Very low	46.7	Very low	125 Å²	125	135.7 Å²	135.7	64%	0.641	61%	0.611	S	S	*	*	H	α-helix	trans	-66.3	-30.1	179.2	-65	166.3	0	0	0	111	D881 L882 R887	D881-I885 WeakPolarHBondContact O-CG1 3.35Å; D881-I885 PolarHBondContact O-N 2.65Å; L882-I885 PolarHBondContact O-N 3.22Å; I885-R887 VanDerWaalsContact C-N 3.26Å; I885-R887 PolarHBondContact O-N 3.27Å
886	R	46.4	Very low	46.7	Very low	232 Å²	232	139.7 Å²	139.7	88%	0.875	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	14.2	169.7	-88.4	-176.7	166.4	178.8	-3.8	115.3	L882 K884	L882-R886 PolarHBondContact O-N 3.04Å; K884-R886 VanDerWaalsContact C-N 3.26Å; K884-R886 PolarHBondContact O-N 2.99Å
887	R	45.4	Very low	46.9	Very low	228 Å²	228	137.5 Å²	137.5	86%	0.86	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.2	25.6	178.1	-71.9	-171.8	171.6	-169.7	-1.8	113	K884 I885	K884-R887 CarbonylContact O-C 3.54Å; K884-R887 PolarHBondContact O-N 3.04Å; I885-R887 VanDerWaalsContact C-N 3.26Å; I885-R887 PolarHBondContact O-N 3.27Å
888	R	39.6	Very low	46.8	Very low	294 Å²	294	142.3 Å²	142.3	100%	1.109	64%	0.64	S	S	*	*			trans	-127.5	0	162.4	-78.2	-175.6	169.3	-174.9	-4.5	108

Retrieved 888 of 888 residues in 1205.2 ms (Link to these results)

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