G4LW67_SCHMA Loading...

RNA helicase

AlphaFold DB , UniProt , Accession G4LW67, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 840 aa.

						>G4LW67_SCHMA|G4LW67
MSYGKRGGRWGMNFISGSGPQHSLSTHSVFKDEKSDVNKQSEDYKNTKPPNFIRTGGASVPPPPSLGSRNSRGYSDPNEVLINHSAFAGTQGGSTRAFANLGRKRVADEDDYFLEDDDTNNLEYQPAPGSPAATKRSDQADVQSDDSDDPLDQFMAGINEEVRTLHSGEKSVTKESNSKGKKSTKGDGKGVRDDIEQEDEIESYLRFMEENPHLGLPGDDEEEVYEYDADGNIIGTEKKTIDPLPPIDHSMINYAPFAKNFYVEHVEISSLDEAGVDSLRSKLGLRVSGPSPLRPVCSFAHLGLDEPLMEAIRKAGYTQPTPIQAQAVPLILAGRDVIGIGKTGSGKTAAFLWPLIIHIMDQPELKLGDGPIGVICAPTRELALQIYSEAKKLAKVYNLTVVCAYGGGSLWEQQKACEAGCEILVCTPGRLIDIVKKKSTNLRRVTYLVFDEADKMFNLGFEPQVRSIANHVRPDRQTLLFSATFKRRLERLARDILLDPVRIIQGELGEANEDITQHVEIFDKIEQKWDWLTRNLVRLTTEGSVLIFVTRKVHSEEVAQKLKSRDLKVLLIHGDMHQSDRNTVIQAFKRQEAPILVATDVASRGLDIPSIHNVINYEVARDIDTHTHRIGRTGRAGAKGTAYTLFVAGKDPVDFAACLVQHLESGSQKVPQRLLDIALKCNWFANNRSSLNGRNEGCIRPSGGFEPRQPRARPGLGLSSDSSESDYYPRSGPAAAAAAGEGAELIRPGGLQADRFSAMKAAFSAQYNRRFVSAGVEASRYTHPEMLKSSNTTDRPQLADSFIVQSSNLEESQCPQQLQSSQVKPQNVQTDSKQKRSRWD
					

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	33.7	Very low	38.4	Very low	241 Å²	241	167.5 Å²	167.5	100%	1.187	88%	0.88	S	S	*	*				0	170.5	0	-82.2	178.4	170.5	0	0	109.2	Y3	M1-Y3 PolarHBondContact O-N 3.17Å
2	S	38.2	Very low	38.5	Very low	121 Å²	121	167.2 Å²	167.2	85%	0.846	87%	0.873	S	S	*	*			trans	-68.2	122.7	-162.7	-171.5	0	0	0	0	115.8
3	Y	40.8	Very low	38.7	Very low	233 Å²	233	162.8 Å²	162.8	91%	0.914	85%	0.852	S	S	*	*			trans	-134.7	145.4	154	-70.8	-85.1	0	0	0	106.9	M1	M1-Y3 PolarHBondContact O-N 3.17Å
4	G	38.7	Very low	38.4	Very low	64 Å²	64	164.3 Å²	164.3	66%	0.66	85%	0.848	S	S	*	*			cis	173.5	69	-2.5	0	0	0	0	0	110.6	R6	G4-R6 PolarHBondContact O-N 3.28Å; G4-R6 VanDerWaalsContact O-N 3.12Å
5	K	37.1	Very low	38.4	Very low	220 Å²	220	164.1 Å²	164.1	96%	0.957	85%	0.847	S	S	*	*			trans	-76.4	97.1	-176.8	-80	-174.6	175.4	177.6	0	112.8
6	R	41.7	Very low	38.4	Very low	242 Å²	242	160.8 Å²	160.8	91%	0.913	84%	0.842	S	S	*	*			trans	-80.6	135.9	152.6	-58.8	179.7	-171.2	172.9	4.8	107.1	G4	G4-R6 PolarHBondContact O-N 3.28Å; G4-R6 VanDerWaalsContact O-N 3.12Å
7	G	38.9	Very low	38.5	Very low	81 Å²	81	156.4 Å²	156.4	84%	0.835	85%	0.845	S	S	*	*				98.4	135.6	81.7	0	0	0	0	0	109.1
8	G	41	Very low	38.6	Very low	76 Å²	76	154.6 Å²	154.6	78%	0.784	85%	0.846	S	S	*	*			cis	-159.6	173.7	0.2	0	0	0	0	0	112.1
9	R	36.5	Very low	38.7	Very low	247 Å²	247	150.5 Å²	150.5	93%	0.932	84%	0.844	S	S	*	*			trans	-101.9	123.6	-176.3	174.8	-173.7	-178.6	-167.7	2.1	108.7
10	W	40.5	Very low	38.7	Very low	250 Å²	250	148.9 Å²	148.9	95%	0.947	84%	0.84	S	S	*	*			trans	-123.1	115.9	168.1	-80.5	96.3	0	0	0	110.2
11	G	35.1	Very low	38.8	Very low	68 Å²	68	150.3 Å²	150.3	70%	0.701	84%	0.839	S	S	*	*			trans	-149.4	118.7	167.5	0	0	0	0	0	108.1
12	M	40.2	Very low	39.1	Very low	163 Å²	163	147.8 Å²	147.8	80%	0.803	83%	0.825	S	S	*	*			trans	-176.6	142.8	172.2	-94.3	-170.3	163.1	0	0	105.1
13	N	40.4	Very low	39	Very low	111 Å²	111	146.8 Å²	146.8	59%	0.594	82%	0.818	S	S	*	*			cis	-167	142.1	-8.1	-118.4	-0.3	0	0	0	109.4
14	F	34.7	Very low	39	Very low	183 Å²	183	144.5 Å²	144.5	80%	0.803	82%	0.82	S	S	*	*			trans	60.5	145.5	156.2	-69	-115.4	0	0	0	117.1
15	I	38.9	Very low	38.6	Very low	161 Å²	161	146.3 Å²	146.3	83%	0.826	82%	0.823	S	S	*	*				-148.5	158.5	54.7	-80.9	173.4	0	0	0	111.4
16	S	37.4	Very low	38.9	Very low	111 Å²	111	142.5 Å²	142.5	78%	0.776	82%	0.818	S	S	*	*			trans	-69.6	152.4	-176	51.4	0	0	0	0	116.7
17	G	40.9	Very low	38.6	Very low	86 Å²	86	139.3 Å²	139.3	89%	0.887	81%	0.813	S	S	*	*			trans	-164.7	95.3	163	0	0	0	0	0	112.1
18	S	40.4	Very low	38.5	Very low	125 Å²	125	139.8 Å²	139.8	87%	0.874	80%	0.804	S	S	*	*			trans	-106.7	136.3	-177.2	52.3	0	0	0	0	112.3
19	G	40.6	Very low	38.3	Very low	77 Å²	77	141.4 Å²	141.4	79%	0.794	80%	0.798	S	S	*	*			trans	-173.7	122.1	170.9	0	0	0	0	0	113.2
20	P	38.4	Very low	38.5	Very low	118 Å²	118	139.4 Å²	139.4	77%	0.766	80%	0.797	S	S	*	*			trans	-111.9	166.5	175.5	39.4	-31.2	0	0	0	113.8
21	Q	39.9	Very low	38.4	Very low	178 Å²	178	135.4 Å²	135.4	83%	0.832	79%	0.786	S	S	*	*			trans	74.4	118.9	168.1	-47.7	-165.3	14.6	0	0	118.3
22	H	40	Very low	38.5	Very low	189 Å²	189	137.8 Å²	137.8	88%	0.875	78%	0.782	S	S	*	*				-159.2	142.5	111.6	-118.4	-85.1	0	0	0	111.6
23	S	37.4	Very low	38.6	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	79%	0.789	S	S	*	*			trans	-89.8	145	179.3	53.3	0	0	0	0	112.6
24	L	39.5	Very low	38.4	Very low	185 Å²	185	143.6 Å²	143.6	97%	0.969	80%	0.801	S	S	*	*			trans	-141.5	136.1	153.3	-89.1	174.7	0	0	0	110.4
25	S	31.7	Very low	38.6	Very low	102 Å²	102	140 Å²	140	71%	0.713	80%	0.799	S	S	*	*			trans	-131.6	137.9	-174.5	56.9	0	0	0	0	110.8
26	T	42.5	Very low	38.5	Very low	140 Å²	140	139.7 Å²	139.7	86%	0.859	80%	0.799	S	S	*	*			trans	-139.1	108.9	166.8	48.9	0	0	0	0	111.7
27	H	36.8	Very low	38.7	Very low	174 Å²	174	141 Å²	141	81%	0.806	80%	0.802	S	S	*	*			trans	-4.5	151	137.4	-76.6	-97.2	0	0	0	117.7
28	S	35.9	Very low	38.4	Very low	91 Å²	91	144.1 Å²	144.1	64%	0.636	80%	0.798	S	S	*	*			cis	176.4	170.5	0.6	49.5	0	0	0	0	113.1
29	V	37.8	Very low	38.2	Very low	110 Å²	110	147.3 Å²	147.3	67%	0.667	80%	0.796	S	S	*	*			trans	76.1	108.6	158.3	-173.1	0	0	0	0	117.7
30	F	39.9	Very low	38.1	Very low	206 Å²	206	152.1 Å²	152.1	90%	0.904	80%	0.798	S	S	*	*				-150.7	133.7	104.7	-108.3	-78.3	0	0	0	111.7
31	K	37.2	Very low	38.1	Very low	165 Å²	165	151.2 Å²	151.2	72%	0.717	79%	0.794	S	S	*	*			trans	-86.7	173.4	174.5	-82.5	173	141.8	-117.1	0	109.8
32	D	38.2	Very low	37.8	Very low	118 Å²	118	151.6 Å²	151.6	63%	0.631	80%	0.796	S	S	*	*			cis	-164.4	140.8	-11.1	-103.4	-34.3	0	0	0	103.8
33	E	43	Very low	37.8	Very low	201 Å²	201	149.8 Å²	149.8	94%	0.939	79%	0.793	S	S	*	*			trans	-164.1	141.8	139.5	-119.7	178.4	159.3	0	0	111.4
34	K	36.1	Very low	37.9	Very low	196 Å²	196	155.1 Å²	155.1	85%	0.852	80%	0.799	S	S	*	*			trans	-136.1	139.1	-174	-85.7	-176	174.2	-179.4	0	110.5
35	S	38.1	Very low	37.7	Very low	108 Å²	108	156 Å²	156	76%	0.755	80%	0.795	S	S	*	*			trans	160.9	150.3	146	43.2	0	0	0	0	108.2
36	D	37.5	Very low	38	Very low	153 Å²	153	158.4 Å²	158.4	82%	0.818	80%	0.8	S	S	*	*			cis	-156.2	-177.3	-24.5	-119.2	-47	0	0	0	108.5
37	V	42.2	Very low	37.8	Very low	140 Å²	140	158.7 Å²	158.7	85%	0.848	80%	0.802	S	S	*	*			trans	89.9	101.1	167.6	-168.3	0	0	0	0	116.6
38	N	33.4	Very low	37.9	Very low	151 Å²	151	159.7 Å²	159.7	81%	0.807	80%	0.804	S	S	*	*			trans	-129.8	127.2	160.7	173.6	13	0	0	0	107.5
39	K	36.8	Very low	38.1	Very low	192 Å²	192	161.1 Å²	161.1	84%	0.835	81%	0.811	S	S	*	*			trans	177.9	115.1	155.4	-105.2	164	-174	-178.2	0	113.1
40	Q	37.6	Very low	38.6	Very low	178 Å²	178	161.6 Å²	161.6	83%	0.832	82%	0.816	S	S	*	*			trans	151.5	90.5	143.2	-85.2	173.2	8.6	0	0	107.5
41	S	39.7	Very low	38.4	Very low	98 Å²	98	159 Å²	159	69%	0.685	81%	0.812	S	S	*	*				61.2	91.9	91.5	66	0	0	0	0	111.7
42	E	33.8	Very low	38.5	Very low	187 Å²	187	161.1 Å²	161.1	87%	0.874	82%	0.821	S	S	*	*				64.4	101.7	95.9	-75.4	-161.4	142.4	0	0	113.4
43	D	39.7	Very low	38.5	Very low	150 Å²	150	162.4 Å²	162.4	80%	0.802	83%	0.827	S	S	*	*			trans	-165.9	169.1	132.3	-119.7	-32.2	0	0	0	113.1
44	Y	39	Very low	38	Very low	212 Å²	212	164.3 Å²	164.3	83%	0.831	83%	0.825	S	S	*	*			trans	74.9	73.5	174.6	-65.5	-79.4	0	0	0	119.8
45	K	35.4	Very low	38.1	Very low	205 Å²	205	161.8 Å²	161.8	89%	0.891	83%	0.826	S	S	*	*			trans	-100.1	98.9	143.5	-77	177.7	179	168	0	110.7
46	N	36.7	Very low	38	Very low	151 Å²	151	160.4 Å²	160.4	81%	0.807	83%	0.829	S	S	*	*			trans	176.5	118.7	146	-107.4	-31.8	0	0	0	112.6
47	T	39.9	Very low	37.9	Very low	147 Å²	147	157 Å²	157	90%	0.902	83%	0.83	S	S	*	*			trans	-171.8	146.3	133.4	15	0	0	0	0	109.9
48	K	37.8	Very low	37.6	Very low	195 Å²	195	155.4 Å²	155.4	85%	0.848	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-90.3	150.5	-177.2	-67.4	174.2	177.1	175.1	0	111.2
49	P	41.1	Very low	37.8	Very low	120 Å²	120	153.7 Å²	153.7	78%	0.779	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-79.9	142.7	167	33.7	-33.1	0	0	0	111.2
50	P	47.1	Very low	38.3	Very low	120 Å²	120	151 Å²	151	78%	0.779	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-87.8	131.1	166.1	32.7	-29.4	0	0	0	111.1
51	N	36.4	Very low	38.8	Very low	151 Å²	151	147.8 Å²	147.8	81%	0.807	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68	143.6	163.4	-70.6	-41.9	0	0	0	109.7
52	F	38.6	Very low	39.2	Very low	211 Å²	211	148.8 Å²	148.8	93%	0.925	83%	0.83	S	S	*	*			trans	-139	146.8	151.4	-127.9	-89.3	0	0	0	112.8
53	I	38.7	Very low	40.4	Very low	144 Å²	144	145.7 Å²	145.7	74%	0.738	83%	0.826	S	S	*	*			trans	-105.1	149.5	-163.9	-67.5	173.3	0	0	0	110.4	T55	I53-T55 PolarHBondContact O-N 2.92Å
54	R	33	Very low	40.5	Very low	242 Å²	242	144.2 Å²	144.2	91%	0.913	83%	0.825	S	S	*	*			trans	-61.5	121.7	174.8	-87.5	-179.4	160.2	-161.6	-4.1	113.4
55	T	38.5	Very low	40.2	Very low	142 Å²	142	139.8 Å²	139.8	87%	0.871	83%	0.825	S	S	*	*			trans	-158.7	141.9	145.9	47.4	0	0	0	0	106.1	I53	I53-T55 PolarHBondContact O-N 2.92Å
56	G	35.8	Very low	40.6	Very low	79 Å²	79	138.4 Å²	138.4	81%	0.814	83%	0.826	S	S	*	*			cis	141.7	81.6	11.5	0	0	0	0	0	110.1
57	G	34.2	Very low	40.5	Very low	82 Å²	82	134.7 Å²	134.7	85%	0.845	82%	0.823	S	S	*	*			trans	66	119.3	161.1	0	0	0	0	0	120.5
58	A	37.3	Very low	40.2	Very low	106 Å²	106	133.1 Å²	133.1	88%	0.876	82%	0.818	S	S	*	*			trans	-177	146.3	132.2	0	0	0	0	0	111.4
59	S	36.9	Very low	40.1	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	82%	0.818	S	S	*	*			trans	-83.3	144.1	-176.2	52.2	0	0	0	0	114.7
60	V	46.4	Very low	39.7	Very low	136 Å²	136	135.8 Å²	135.8	82%	0.824	82%	0.819	S	S	*	*			trans	-138.5	132.9	161.6	-175.3	0	0	0	0	109.5
61	P	49.1	Very low	39	Very low	110 Å²	110	134.7 Å²	134.7	71%	0.714	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-89.4	167.1	-175.8	36.4	-36.6	0	0	0	114
62	P	47.1	Very low	38.9	Very low	119 Å²	119	139.2 Å²	139.2	77%	0.773	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.5	150.5	-179.7	33.2	-35.8	0	0	0	113.4
63	P	60	Low	38.6	Very low	121 Å²	121	132.3 Å²	132.3	79%	0.786	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80.9	159	174	33.3	-34.3	0	0	0	113.1
64	P	41.5	Very low	38.6	Very low	120 Å²	120	136.6 Å²	136.6	78%	0.779	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-96.5	164.8	-161.3	37.8	-37.5	0	0	0	115.8
65	S	33.8	Very low	39	Very low	119 Å²	119	129.7 Å²	129.7	83%	0.832	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.1	136.9	171.5	55.5	0	0	0	0	113.8
66	L	42.5	Very low	38.8	Very low	175 Å²	175	130.6 Å²	130.6	92%	0.916	81%	0.805	S	S	*	*			trans	-141.9	136.5	163	-102.2	141.5	0	0	0	108.7
67	G	36.1	Very low	39	Very low	73 Å²	73	131.4 Å²	131.4	75%	0.753	80%	0.795	S	S	*	*			trans	-117.7	169	-164.3	0	0	0	0	0	116.4
68	S	32.8	Very low	39.3	Very low	114 Å²	114	135.4 Å²	135.4	80%	0.797	80%	0.797	S	S	*	*			trans	62.1	103.7	154.5	-158.2	0	0	0	0	119.5
69	R	34.8	Very low	39.1	Very low	226 Å²	226	139.3 Å²	139.3	85%	0.853	80%	0.798	S	S	*	*				-178.2	126.3	104.3	-101.6	175	159.7	179.7	-6.4	115.3
70	N	33.2	Very low	39.2	Very low	146 Å²	146	139.9 Å²	139.9	78%	0.781	80%	0.796	S	S	*	*			trans	47.3	111.8	143.4	-74.9	15.8	0	0	0	124.2
71	S	32.6	Very low	38.8	Very low	97 Å²	97	139.9 Å²	139.9	68%	0.678	79%	0.791	S	S	*	*				102.5	135.1	115.7	82.8	0	0	0	0	120.9
72	R	34.2	Very low	38.2	Very low	246 Å²	246	140.8 Å²	140.8	93%	0.928	79%	0.788	S	S	*	*			trans	66	127.4	164.9	-58.7	170.9	175.9	168.8	-2.5	115.5
73	G	32.4	Very low	37.7	Very low	66 Å²	66	141 Å²	141	68%	0.68	78%	0.783	S	S	*	*			cis	125.9	109.9	0.9	0	0	0	0	0	112
74	Y	39.3	Very low	36.7	Very low	233 Å²	233	143.7 Å²	143.7	91%	0.914	78%	0.784	S	S	*	*			trans	-175.2	147.1	170.6	-97.2	-84.9	0	0	0	105.7
75	S	40.2	Very low	36.3	Very low	97 Å²	97	142.6 Å²	142.6	68%	0.678	78%	0.78	S	S	*	*			cis	-177.6	141.9	-22	50.2	0	0	0	0	107.3
76	D	35.1	Very low	36.2	Very low	162 Å²	162	141.2 Å²	141.2	87%	0.866	78%	0.775	S	S	*	*			trans	-124.3	133	176.8	-152	-1.1	0	0	0	110.2
77	P	39	Very low	35.8	Very low	95 Å²	95	143 Å²	143	62%	0.617	78%	0.776	S	S	*	*			trans	-121.2	117.8	179.7	35.9	-21.9	0	0	0	113.8
78	N	41	Very low	35.6	Very low	166 Å²	166	144.3 Å²	144.3	89%	0.888	78%	0.779	S	S	*	*				176.4	110.5	122.7	-89.5	-36.7	0	0	0	112.2
79	E	32.5	Very low	35.5	Very low	188 Å²	188	142 Å²	142	88%	0.879	77%	0.774	S	S	*	*			trans	-143.3	128.1	162.2	-166	-172.7	-131.2	0	0	110
80	V	40.2	Very low	35.4	Very low	129 Å²	129	137.4 Å²	137.4	78%	0.782	77%	0.771	S	S	*	*			trans	-159.7	132.2	179.6	176.3	0	0	0	0	107.3
81	L	37.8	Very low	35.4	Very low	135 Å²	135	139.8 Å²	139.8	71%	0.707	78%	0.778	S	S	*	*			cis	-165.1	131.4	-20.4	-140.3	91	0	0	0	108.5
82	I	36.9	Very low	35.3	Very low	129 Å²	129	139 Å²	139	66%	0.662	79%	0.785	S	S	*	*				64.1	123.6	128.4	-75	-178.9	0	0	0	124
83	N	35.9	Very low	35.1	Very low	123 Å²	123	130.8 Å²	130.8	66%	0.658	78%	0.777	S	S	*	*			trans	60.4	137.4	142.5	-58.8	-0.7	0	0	0	122.1
84	H	39.1	Very low	35.1	Very low	178 Å²	178	133 Å²	133	82%	0.824	78%	0.781	S	S	*	*				-160.1	-179.5	63.2	-104.2	-77.7	0	0	0	115.6
85	S	32.8	Very low	34.8	Very low	98 Å²	98	127.9 Å²	127.9	69%	0.685	78%	0.775	S	S	*	*			trans	-108.8	148.1	-155.2	53.4	0	0	0	0	117.5
86	A	32.3	Very low	34.6	Very low	89 Å²	89	134.5 Å²	134.5	74%	0.736	79%	0.785	S	S	*	*			trans	45.9	131.3	143.1	0	0	0	0	0	122.1
87	F	34	Very low	34.4	Very low	214 Å²	214	131 Å²	131	94%	0.939	78%	0.779	S	S	*	*				-170.9	161.6	121.1	-118.3	-88.4	0	0	0	111.6
88	A	30.9	Very low	34.2	Very low	99 Å²	99	136.3 Å²	136.3	82%	0.818	79%	0.793	S	S	*	*			trans	-102.1	161	-174.5	0	0	0	0	0	113.9
89	G	31.6	Very low	33.8	Very low	67 Å²	67	131.9 Å²	131.9	69%	0.691	78%	0.779	S	S	*	*			trans	161.6	86.1	167.1	0	0	0	0	0	119
90	T	31.9	Very low	33.8	Very low	128 Å²	128	131 Å²	131	79%	0.785	78%	0.78	S	S	*	*			trans	31.9	130	140.4	43.6	0	0	0	0	124.6
91	Q	33.5	Very low	33.3	Very low	197 Å²	197	131.5 Å²	131.5	92%	0.921	78%	0.778	S	S	*	*			trans	70.9	127.9	143.4	-64.2	-171.5	18.6	0	0	121
92	G	31.8	Very low	33	Very low	80 Å²	80	128.2 Å²	128.2	83%	0.825	78%	0.776	S	S	*	*			trans	172.1	60.7	171.3	0	0	0	0	0	119
93	G	29.2	Very low	32.9	Very low	74 Å²	74	133.6 Å²	133.6	76%	0.763	79%	0.788	S	S	*	*			trans	55.3	120.2	141.6	0	0	0	0	0	124.1
94	S	32.4	Very low	32.7	Very low	111 Å²	111	137.7 Å²	137.7	78%	0.776	80%	0.8	S	S	*	*			trans	85.3	112.2	131.3	-76.2	0	0	0	0	124
95	T	32.9	Very low	32.7	Very low	126 Å²	126	140 Å²	140	77%	0.773	80%	0.801	S	S	*	*			trans	71.6	128.2	136.3	69.9	0	0	0	0	118.2
96	R	35.1	Very low	33	Very low	236 Å²	236	139.5 Å²	139.5	89%	0.891	79%	0.794	S	S	*	*			cis	-155	158.9	45.3	-77.8	-179.6	160.4	160.9	-6.2	112.6
97	A	32	Very low	33.2	Very low	90 Å²	90	139.2 Å²	139.2	74%	0.744	79%	0.792	S	S	*	*			trans	-93.6	136.3	177.5	0	0	0	0	0	113.4
98	F	34.6	Very low	33.4	Very low	206 Å²	206	135 Å²	135	90%	0.904	78%	0.78	S	S	*	*			trans	-165.9	143.6	151.5	-77.9	-73.6	0	0	0	107.1
99	A	32.3	Very low	33.9	Very low	72 Å²	72	139 Å²	139	60%	0.595	78%	0.781	S	S	*	*			cis	-159.5	143.2	-23.4	0	0	0	0	0	108.7	L101	A99-L101 PolarHBondContact O-N 3.48Å
100	N	31.8	Very low	34.3	Very low	171 Å²	171	143.2 Å²	143.2	91%	0.914	79%	0.788	S	S	*	*			trans	-66.1	125.1	167.5	-76.3	-38.4	0	0	0	110.2
101	L	31.1	Very low	34.7	Very low	139 Å²	139	141.4 Å²	141.4	73%	0.728	77%	0.773	S	S	*	*			trans	-144.5	89.1	168.6	-103.4	142.2	0	0	0	110.4	A99	A99-L101 PolarHBondContact O-N 3.48Å
102	G	29.8	Very low	35	Very low	65 Å²	65	142.4 Å²	142.4	67%	0.67	77%	0.77	S	S	*	*			trans	-66.7	136.7	179.2	0	0	0	0	0	113.1	K104	G102-K104 PolarHBondContact O-N 3.09Å
103	R	35.8	Very low	35.3	Very low	243 Å²	243	147.9 Å²	147.9	92%	0.917	77%	0.772	S	S	*	*			trans	-86.5	97.5	163.2	-85.5	-178.2	166.6	173.6	-4.7	109.4	R105	R103-R105 PolarHBondContact O-N 3.11Å
104	K	32.5	Very low	35.8	Very low	208 Å²	208	149.8 Å²	149.8	90%	0.904	76%	0.764	S	S	*	*			trans	-68.7	111.8	166.4	-150.2	176.7	-173	-175.4	0	107.4	G102	G102-K104 PolarHBondContact O-N 3.09Å
105	R	38	Very low	35.9	Very low	226 Å²	226	153.2 Å²	153.2	85%	0.853	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-77.2	142.9	170.1	-84.1	-174.9	-89	170	-2.7	108.9	R103	R103-R105 PolarHBondContact O-N 3.11Å
106	V	39.2	Very low	36.1	Very low	88 Å²	88	154.2 Å²	154.2	53%	0.533	77%	0.768	S	S	.	*	P	Polyproline II helix	trans	-70.8	131.9	172.4	178.9	0	0	0	0	107.4
107	A	36	Very low	36.2	Very low	84 Å²	84	150.7 Å²	150.7	69%	0.694	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-88.6	127.9	174.4	0	0	0	0	0	109.2
108	D	39.1	Very low	36.2	Very low	126 Å²	126	154.5 Å²	154.5	67%	0.674	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-77.8	147.9	163.8	-84.4	-43.9	0	0	0	109.2	D110	D108-D110 PolarHBondContact O-N 3.13Å
109	E	40.7	Very low	36.2	Very low	183 Å²	183	150.7 Å²	150.7	86%	0.855	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	14.6	-169.5	-63.3	-168.2	138	0	0	115.5
110	D	40.4	Very low	36.4	Very low	155 Å²	155	153.9 Å²	153.9	83%	0.829	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	-6.5	-179.1	-86.5	-20.9	0	0	0	114.7	D108 Y112	D108-D110 PolarHBondContact O-N 3.13Å; D110-Y112 PolarHBondContact O-N 3.39Å
111	D	41.1	Very low	36.4	Very low	89 Å²	89	154.1 Å²	154.1	48%	0.476	78%	0.777	S	S	.	*			trans	-91.4	14	-167	-96.6	-32.2	0	0	0	116.1	F113 R487	D111-F113 PolarHBondContact O-N 3.11Å; D111-R487 IonicContact OD1-NH2 3.61Å; D111-R487 PolarHBondContact OD1-NH2 3.05Å
112	Y	38.6	Very low	36.8	Very low	219 Å²	219	154.2 Å²	154.2	86%	0.859	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	10.3	-171	-122.6	-84.2	0	0	0	117.5	D110	D110-Y112 PolarHBondContact O-N 3.39Å
113	F	38.6	Very low	37.2	Very low	195 Å²	195	158.5 Å²	158.5	86%	0.855	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.7	4.6	-174.4	-91.3	-78.4	0	0	0	116.5	D111	D111-F113 PolarHBondContact O-N 3.11Å
114	L	40.4	Very low	37.7	Very low	113 Å²	113	152 Å²	152	59%	0.592	76%	0.756	S	S	*	*			trans	-141.6	56.6	-176	-68.6	175.5	0	0	0	113.6
115	E	34.2	Very low	38.1	Very low	184 Å²	184	150 Å²	150	86%	0.86	75%	0.75	S	S	*	*			trans	-99.9	95.3	162.4	-71.7	-169.7	157.8	0	0	110.1
116	D	36.9	Very low	38.4	Very low	147 Å²	147	140.8 Å²	140.8	79%	0.786	72%	0.72	S	S	*	*			trans	174.5	100.3	158.5	-93.3	-25.6	0	0	0	106.5
117	D	36.9	Very low	39	Very low	162 Å²	162	138.2 Å²	138.2	87%	0.866	71%	0.707	S	S	*	*			trans	168	6.5	159.2	-94.5	-19.4	0	0	0	115.8	T119	D117-T119 VanDerWaalsContact C-N 3.29Å; D117-T119 PolarHBondContact O-N 3.34Å
118	D	31.8	Very low	39.2	Very low	170 Å²	170	140.6 Å²	140.6	91%	0.909	72%	0.716	S	S	*	*			trans	-82.9	49.6	-178.1	-98.9	-14	0	0	0	114.7
119	T	34.8	Very low	39.8	Very low	125 Å²	125	138.4 Å²	138.4	77%	0.767	72%	0.723	S	S	*	*			trans	-151	84.5	165.8	47.4	0	0	0	0	113.1	D117	D117-T119 VanDerWaalsContact C-N 3.29Å; D117-T119 PolarHBondContact O-N 3.34Å
120	N	37.2	Very low	40.2	Very low	139 Å²	139	130.2 Å²	130.2	74%	0.743	69%	0.686	S	S	*	*			trans	-160.8	93.1	155.6	-100.9	-33.1	0	0	0	111.4	L122	N120-L122 VanDerWaalsContact C-N 3.26Å; N120-L122 HydrophobicContact CB-CD1 4.27Å; N120-L122 HydrophobicContact CB-CG 4.24Å; N120-L122 PolarHBondContact O-N 2.84Å; N120-L122 VanDerWaalsContact O-N 3.1Å
121	N	32.4	Very low	40.8	Very low	176 Å²	176	126.3 Å²	126.3	94%	0.941	67%	0.669	S	S	*	*			trans	-85.7	68.4	175.6	-162.2	47.2	0	0	0	109.4
122	L	38	Very low	41.4	Very low	142 Å²	142	123 Å²	123	74%	0.743	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-80.7	136.7	-175.6	-71.6	169	0	0	0	111.8	N120	N120-L122 VanDerWaalsContact C-N 3.26Å; N120-L122 HydrophobicContact CB-CD1 4.27Å; N120-L122 HydrophobicContact CB-CG 4.24Å; N120-L122 PolarHBondContact O-N 2.84Å; N120-L122 VanDerWaalsContact O-N 3.1Å
123	E	38.3	Very low	42.1	Very low	155 Å²	155	114.1 Å²	114.1	72%	0.724	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-67.8	138.1	178.1	-168.5	-179.2	154.1	0	0	111.3	Q125 R136	E123-Q125 PolarHBondContact O-N 3.48Å; E123-R136 IonicContact OE1-NH2 3.92Å
124	Y	45.7	Very low	42.7	Very low	106 Å²	106	109.1 Å²	109.1	42%	0.416	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-64.5	117.7	-177.8	176	-94	0	0	0	111.8	P126 A132 P290 D499	Y124-P126 HydrophobicContact CD1-CG 4.21Å; Y124-P126 HydrophobicContact CE1-CB 3.96Å; Y124-P126 HydrophobicContact CE1-CG 3.77Å; Y124-A132 HydrophobicContact CE1-CB 4.4Å; Y124-P290 HydrophobicContact CE1-CB 4.48Å; Y124-P290 WeakPolarHBondContact OH-CG 3.49Å; Y124-D499 PolarHBondContact OH-OD1 3.5Å; Y124-D499 PolarHBondContact OH-OD2 3.05Å; Y124-D499 VanDerWaalsContact OH-OD2 3.04Å
125	Q	42.2	Very low	43.2	Very low	167 Å²	167	111.7 Å²	111.7	78%	0.78	62%	0.618	S	S	*	*			trans	-104.2	117.6	169.5	-64.8	-172.4	-0.2	0	0	109	E123	E123-Q125 PolarHBondContact O-N 3.48Å
126	P	44.8	Very low	43.6	Very low	32 Å²	32	110 Å²	110	21%	0.208	60%	0.604	C	S	.	*	P	Polyproline II helix	trans	-67	143	-179.7	-11.5	22.9	0	0	0	112.1	Y124 S130 A132 A133	Y124-P126 HydrophobicContact CD1-CG 4.21Å; Y124-P126 HydrophobicContact CE1-CB 3.96Å; Y124-P126 HydrophobicContact CE1-CG 3.77Å; P126-S130 VanDerWaalsContact CB-OG 3.22Å; P126-S130 WeakPolarHBondContact CB-OG 3.03Å; P126-A132 HydrophobicContact CB-CB 3.95Å; P126-A132 HydrophobicContact CG-CB 4.02Å; P126-A133 HydrophobicContact CB-CB 4.33Å
127	A	50.4	Low	43.8	Very low	33 Å²	33	106.6 Å²	106.6	27%	0.273	59%	0.592	S	S	.	*	P	Polyproline II helix	trans	-65.9	147.9	172.2	0	0	0	0	0	111.5	G129 S130 L498	A127-G129 PolarHBondContact O-N 3.39Å; A127-S130 VanDerWaalsContact O-CB 3.28Å; A127-S130 WeakPolarHBondContact O-CB 3.27Å; A127-S130 PolarHBondContact O-N 2.96Å; A127-S130 PolarHBondContact O-OG 2.9Å; A127-L498 HydrophobicContact CB-CD1 4.25Å
128	P	40	Very low	44.1	Very low	134 Å²	134	105.5 Å²	105.5	87%	0.87	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	129.1	172.6	-24.8	34.4	0	0	0	111.5
129	G	52.1	Low	44.5	Very low	81 Å²	81	106.2 Å²	106.2	84%	0.835	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.1	-3	-176.5	0	0	0	0	0	115.7	A127	A127-G129 PolarHBondContact O-N 3.39Å
130	S	49	Very low	44.4	Very low	10 Å²	10	104.4 Å²	104.4	7%	0.07	58%	0.581	C	S	.	*			trans	-68.6	149.7	170.8	64.2	0	0	0	0	112	P126 A127 A132 A133 T134 D499	P126-S130 VanDerWaalsContact CB-OG 3.22Å; P126-S130 WeakPolarHBondContact CB-OG 3.03Å; A127-S130 VanDerWaalsContact O-CB 3.28Å; A127-S130 WeakPolarHBondContact O-CB 3.27Å; A127-S130 PolarHBondContact O-N 2.96Å; A127-S130 PolarHBondContact O-OG 2.9Å; S130-A132 PolarHBondContact O-N 3.03Å; S130-A132 VanDerWaalsContact O-N 3.08Å; S130-A133 WeakPolarHBondContact O-CB 3.43Å; S130-A133 PolarHBondContact O-N 3.48Å; S130-A133 PolarHBondContact OG-N 3.46Å; S130-T134 PolarHBondContact O-OG1 2.97Å; S130-D499 WeakPolarHBondContact CB-OD2 3.31Å
131	P	54.7	Low	44	Very low	73 Å²	73	105.8 Å²	105.8	47%	0.474	59%	0.589	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.6	-16.9	172.6	-24.7	34.8	0	0	0	114.4	T134	P131-T134 WeakPolarHBondContact CA-OG1 3.29Å; P131-T134 PolarHBondContact O-OG1 3.09Å
132	A	53.4	Low	44	Very low	21 Å²	21	103.5 Å²	103.5	17%	0.174	58%	0.581	C	S	.	*	T	Hydrogen-bonded Turn	trans	-82.2	-26.9	174.3	0	0	0	0	0	112.5	Y124 P126 S130	Y124-A132 HydrophobicContact CE1-CB 4.4Å; P126-A132 HydrophobicContact CB-CB 3.95Å; P126-A132 HydrophobicContact CG-CB 4.02Å; S130-A132 PolarHBondContact O-N 3.03Å; S130-A132 VanDerWaalsContact O-N 3.08Å
133	A	52.1	Low	43.9	Very low	31 Å²	31	105 Å²	105	26%	0.256	58%	0.584	S	S	.	*	G	3₁₀ helix	trans	-68.6	-39.7	173.1	0	0	0	0	0	111.9	P126 S130 K135 R136 S137	P126-A133 HydrophobicContact CB-CB 4.33Å; S130-A133 WeakPolarHBondContact O-CB 3.43Å; S130-A133 PolarHBondContact O-N 3.48Å; S130-A133 PolarHBondContact OG-N 3.46Å; A133-K135 PolarHBondContact O-N 3.13Å; A133-K135 VanDerWaalsContact O-N 3.08Å; A133-R136 PolarHBondContact O-N 3.39Å; A133-S137 PolarHBondContact O-N 3.48Å
134	T	52.2	Low	43.5	Very low	90 Å²	90	102.8 Å²	102.8	55%	0.552	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-64.4	-10.6	178.6	14.9	0	0	0	0	114.6	S130 P131 S137	S130-T134 PolarHBondContact O-OG1 2.97Å; P131-T134 WeakPolarHBondContact CA-OG1 3.29Å; P131-T134 PolarHBondContact O-OG1 3.09Å; T134-S137 PolarHBondContact O-OG 2.9Å; T134-S137 VanDerWaalsContact O-OG 3.12Å
135	K	49.6	Very low	43.1	Very low	167 Å²	167	105.6 Å²	105.6	73%	0.726	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-93.6	-6.9	171.7	-70.6	-168.6	174.3	-170.4	0	114.2	A133	A133-K135 PolarHBondContact O-N 3.13Å; A133-K135 VanDerWaalsContact O-N 3.08Å
136	R	43.1	Very low	42.9	Very low	149 Å²	149	105.1 Å²	105.1	56%	0.562	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-16.9	173.9	-80.5	-172.5	172.6	-179.6	-1.6	113.1	E123 A133 D138	E123-R136 IonicContact OE1-NH2 3.92Å; A133-R136 PolarHBondContact O-N 3.39Å; R136-D138 PolarHBondContact O-N 3.25Å
137	S	41.3	Very low	42.7	Very low	76 Å²	76	109.2 Å²	109.2	53%	0.531	64%	0.64	S	S	.	*	G	3₁₀ helix	trans	-63.6	-23.3	179.6	45.7	0	0	0	0	114.3	A133 T134 Q139	A133-S137 PolarHBondContact O-N 3.48Å; T134-S137 PolarHBondContact O-OG 2.9Å; T134-S137 VanDerWaalsContact O-OG 3.12Å; S137-Q139 VanDerWaalsContact C-N 3.28Å; S137-Q139 PolarHBondContact O-N 2.94Å
138	D	43.2	Very low	42.5	Very low	138 Å²	138	114.1 Å²	114.1	74%	0.738	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-87.9	12.4	-171.9	-55.7	-9.3	0	0	0	113.4	R136	R136-D138 PolarHBondContact O-N 3.25Å
139	Q	40	Very low	43.7	Very low	186 Å²	186	112.2 Å²	112.2	87%	0.869	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-136.5	8.5	-172.7	-86.1	-172.1	4.6	0	0	116.8	S137	S137-Q139 VanDerWaalsContact C-N 3.28Å; S137-Q139 PolarHBondContact O-N 2.94Å
140	A	33.3	Very low	44.2	Very low	87 Å²	87	113.2 Å²	113.2	72%	0.719	64%	0.636	S	S	*	*			trans	-143	78.4	-174.9	0	0	0	0	0	114.8
141	D	28.3	Very low	44.6	Very low	168 Å²	168	117.6 Å²	117.6	90%	0.898	66%	0.658	S	S	*	*			trans	-117.6	80.7	173.6	-114.5	-16.2	0	0	0	110.8
142	V	33.7	Very low	44.8	Very low	128 Å²	128	119.7 Å²	119.7	78%	0.776	67%	0.665	S	S	*	*			trans	-149	109.8	167.8	-173.8	0	0	0	0	111.9
143	Q	35.5	Very low	45.3	Very low	174 Å²	174	125.1 Å²	125.1	81%	0.813	69%	0.687	S	S	*	*			trans	27	106.9	144.1	-65	164.5	-5.1	0	0	118.2
144	S	29.9	Very low	45.7	Very low	108 Å²	108	130.1 Å²	130.1	76%	0.755	70%	0.703	S	S	*	*				66.5	105.4	78.9	75.2	0	0	0	0	116.4
145	D	37	Very low	46.3	Very low	165 Å²	165	130.7 Å²	130.7	88%	0.882	70%	0.701	S	S	*	*				-164.1	149.2	124.4	-130.8	-15.3	0	0	0	111.2
146	D	37.3	Very low	47.1	Very low	157 Å²	157	125.6 Å²	125.6	84%	0.84	69%	0.689	S	S	*	*			trans	-84	152.4	-175.2	-74.7	-52.7	0	0	0	113.4
147	S	40	Very low	48.2	Very low	118 Å²	118	120.3 Å²	120.3	83%	0.825	68%	0.682	S	S	*	*			trans	-149.4	123.4	154.1	51.8	0	0	0	0	111.6
148	D	47.9	Very low	49.2	Very low	136 Å²	136	120.3 Å²	120.3	73%	0.727	68%	0.675	S	S	*	*			trans	-66.2	131	-170.4	-56.6	-88	0	0	0	114
149	D	65.1	Low	49.7	Very low	94 Å²	94	118.4 Å²	118.4	50%	0.503	67%	0.665	S	S	.	*			trans	-82	123.4	166.6	-169.6	-27.5	0	0	0	110.2	L151 D152	D149-L151 PolarHBondContact O-N 3.36Å; D149-L151 VanDerWaalsContact OD1-CB 3.31Å; D149-L151 WeakPolarHBondContact OD1-CB 3.45Å; D149-L151 PolarHBondContact OD1-N 2.89Å; D149-D152 PolarHBondContact O-N 2.89Å
150	P	60.9	Low	50.8	Low	101 Å²	101	116.5 Å²	116.5	66%	0.656	66%	0.656	S	S	*	*	H	α-helix	trans	-54	-21.7	173.9	-27.5	36	0	0	0	115.3	F154	P150-F154 PolarHBondContact O-N 3.46Å
151	L	57.5	Low	52	Low	102 Å²	102	118.7 Å²	118.7	53%	0.534	65%	0.651	S	S	.	*	H	α-helix	trans	-70.2	-36.2	-179.4	-168.5	63.8	0	0	0	112.9	D149 F154 M155	D149-L151 PolarHBondContact O-N 3.36Å; D149-L151 VanDerWaalsContact OD1-CB 3.31Å; D149-L151 WeakPolarHBondContact OD1-CB 3.45Å; D149-L151 PolarHBondContact OD1-N 2.89Å; L151-F154 WeakPolarHBondContact O-CB 3.27Å; L151-F154 PolarHBondContact O-N 2.93Å; L151-M155 VanDerWaalsContact O-CG 3.32Å; L151-M155 WeakPolarHBondContact O-CG 3.21Å; L151-M155 PolarHBondContact O-N 3.15Å
152	D	59.4	Low	53.5	Low	117 Å²	117	114.2 Å²	114.2	63%	0.626	63%	0.63	S	S	*	*	H	α-helix	trans	-71.8	-35.4	-179.1	-80.8	-21.4	0	0	0	111.9	D149 F154 M155 A156	D149-D152 PolarHBondContact O-N 2.89Å; D152-F154 VanDerWaalsContact C-N 3.29Å; D152-F154 PolarHBondContact O-N 3.1Å; D152-M155 PolarHBondContact O-N 2.88Å; D152-A156 WeakPolarHBondContact O-CB 3.37Å; D152-A156 PolarHBondContact O-N 3.31Å
153	Q	64.4	Low	54.5	Low	135 Å²	135	117.5 Å²	117.5	63%	0.631	63%	0.628	S	S	*	*	H	α-helix	trans	-63.9	-35.5	171.8	-64.7	-173.7	8.6	0	0	111.8	G157	Q153-G157 PolarHBondContact O-N 2.88Å
154	F	59.4	Low	55.5	Low	137 Å²	137	113.7 Å²	113.7	60%	0.601	62%	0.617	S	S	*	*	H	α-helix	trans	-71	-41.7	176	-175.8	-104.7	0	0	0	112.4	P150 L151 D152 A156 G157 I158	P150-F154 PolarHBondContact O-N 3.46Å; L151-F154 WeakPolarHBondContact O-CB 3.27Å; L151-F154 PolarHBondContact O-N 2.93Å; D152-F154 VanDerWaalsContact C-N 3.29Å; D152-F154 PolarHBondContact O-N 3.1Å; F154-A156 VanDerWaalsContact C-N 3.33Å; F154-A156 PolarHBondContact O-N 3.46Å; F154-G157 PolarHBondContact O-N 2.97Å; F154-I158 HydrophobicContact CD1-CD1 4.15Å; F154-I158 HydrophobicContact CE1-CD1 3.63Å; F154-I158 HydrophobicContact CZ-CD1 3.94Å; F154-I158 PolarHBondContact O-N 2.95Å
155	M	66.1	Low	56.5	Low	102 Å²	102	115.1 Å²	115.1	50%	0.502	62%	0.616	S	S	.	*	H	α-helix	trans	-68.1	-29.5	177.3	-70.7	-73	-76.1	0	0	113	L151 D152 N159	L151-M155 VanDerWaalsContact O-CG 3.32Å; L151-M155 WeakPolarHBondContact O-CG 3.21Å; L151-M155 PolarHBondContact O-N 3.15Å; D152-M155 PolarHBondContact O-N 2.88Å; M155-N159 PolarHBondContact O-ND2 3.2Å
156	A	65	Low	57.1	Low	59 Å²	59	115.3 Å²	115.3	49%	0.488	61%	0.611	S	S	.	*	H	α-helix	trans	-65.1	-45.8	173.5	0	0	0	0	0	112.2	D152 F154 I158 N159 E160	D152-A156 WeakPolarHBondContact O-CB 3.37Å; D152-A156 PolarHBondContact O-N 3.31Å; F154-A156 VanDerWaalsContact C-N 3.33Å; F154-A156 PolarHBondContact O-N 3.46Å; A156-I158 PolarHBondContact O-N 3.23Å; A156-N159 PolarHBondContact O-N 2.81Å; A156-E160 PolarHBondContact O-N 2.85Å
157	G	67.1	Low	57.1	Low	39 Å²	39	112.5 Å²	112.5	40%	0.402	60%	0.603	S	S	.	*	H	α-helix	trans	-61	-41.1	-178.8	0	0	0	0	0	113.9	Q153 F154 N159 E160 E161	Q153-G157 PolarHBondContact O-N 2.88Å; F154-G157 PolarHBondContact O-N 2.97Å; G157-N159 VanDerWaalsContact C-N 3.33Å; G157-N159 PolarHBondContact O-N 3.46Å; G157-E160 PolarHBondContact O-N 2.96Å; G157-E161 PolarHBondContact O-N 3.31Å; G157-E161 VanDerWaalsContact O-N 3.15Å
158	I	62.3	Low	56.7	Low	76 Å²	76	110 Å²	110	39%	0.39	60%	0.596	S	S	.	*	H	α-helix	trans	-64.5	-37.5	178.6	-65	175	0	0	0	111.5	F154 A156 E160 E161 V162	F154-I158 HydrophobicContact CD1-CD1 4.15Å; F154-I158 HydrophobicContact CE1-CD1 3.63Å; F154-I158 HydrophobicContact CZ-CD1 3.94Å; F154-I158 PolarHBondContact O-N 2.95Å; A156-I158 PolarHBondContact O-N 3.23Å; I158-E160 VanDerWaalsContact C-N 3.27Å; I158-E160 PolarHBondContact O-N 3.07Å; I158-E161 PolarHBondContact O-N 3.37Å; I158-V162 WeakPolarHBondContact O-CG2 3.24Å; I158-V162 PolarHBondContact O-N 3.42Å; I158-V162 VanDerWaalsContact O-N 3.12Å
159	N	53.9	Low	56.1	Low	97 Å²	97	111.5 Å²	111.5	52%	0.519	60%	0.599	S	S	.	*	H	α-helix	trans	-70.3	-22.4	178.5	-80.6	-59.2	0	0	0	113.6	M155 A156 G157 R163	M155-N159 PolarHBondContact O-ND2 3.2Å; A156-N159 PolarHBondContact O-N 2.81Å; G157-N159 VanDerWaalsContact C-N 3.33Å; G157-N159 PolarHBondContact O-N 3.46Å; N159-R163 WeakPolarHBondContact O-CG 3.47Å
160	E	62.9	Low	54.6	Low	146 Å²	146	115.4 Å²	115.4	68%	0.682	61%	0.611	S	S	*	*	H	α-helix	trans	-83.8	-37.3	176.3	-159.4	151.9	-136.8	0	0	111.3	A156 G157 I158 R163 T164	A156-E160 PolarHBondContact O-N 2.85Å; G157-E160 PolarHBondContact O-N 2.96Å; I158-E160 VanDerWaalsContact C-N 3.27Å; I158-E160 PolarHBondContact O-N 3.07Å; E160-R163 PolarHBondContact O-N 2.94Å; E160-T164 PolarHBondContact O-N 3.25Å
161	E	57.9	Low	53.2	Low	133 Å²	133	116.4 Å²	116.4	62%	0.621	62%	0.621	S	S	*	*	H	α-helix	trans	-65.5	-40.2	174.8	-155.5	168.3	-143.9	0	0	112.1	G157 I158 R163 T164 L165	G157-E161 PolarHBondContact O-N 3.31Å; G157-E161 VanDerWaalsContact O-N 3.15Å; I158-E161 PolarHBondContact O-N 3.37Å; E161-R163 VanDerWaalsContact C-N 3.32Å; E161-R163 PolarHBondContact O-N 2.8Å; E161-T164 PolarHBondContact O-N 2.79Å; E161-T164 PolarHBondContact O-OG1 3.13Å; E161-L165 PolarHBondContact O-N 3.26Å
162	V	60.9	Low	52.2	Low	75 Å²	75	118.1 Å²	118.1	46%	0.455	64%	0.635	S	S	.	*	H	α-helix	trans	-66.6	-29.8	175.9	173	0	0	0	0	112.8	I158 H166	I158-V162 WeakPolarHBondContact O-CG2 3.24Å; I158-V162 PolarHBondContact O-N 3.42Å; I158-V162 VanDerWaalsContact O-N 3.12Å; V162-H166 PolarHBondContact O-CD2 3.01Å
163	R	55.2	Low	50.8	Low	196 Å²	196	118.4 Å²	118.4	74%	0.74	64%	0.641	S	S	*	*	H	α-helix	trans	-74.1	-32.2	178.2	-77.4	175	178.1	176.4	2.4	113.2	N159 E160 E161	N159-R163 WeakPolarHBondContact O-CG 3.47Å; E160-R163 PolarHBondContact O-N 2.94Å; E161-R163 VanDerWaalsContact C-N 3.32Å; E161-R163 PolarHBondContact O-N 2.8Å
164	T	56.3	Low	49.4	Very low	95 Å²	95	121.5 Å²	121.5	58%	0.583	65%	0.653	S	S	*	*	H	α-helix	trans	-77	-24.4	-179.8	55.7	0	0	0	0	113.4	E160 E161	E160-T164 PolarHBondContact O-N 3.25Å; E161-T164 PolarHBondContact O-N 2.79Å; E161-T164 PolarHBondContact O-OG1 3.13Å
165	L	51.1	Low	48	Very low	138 Å²	138	123.3 Å²	123.3	72%	0.723	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-15	179.2	-69.4	170	0	0	0	114.7	E161	E161-L165 PolarHBondContact O-N 3.26Å
166	H	49.6	Very low	46.4	Very low	168 Å²	168	123.7 Å²	123.7	78%	0.778	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	5.3	-177.3	-78.7	-57.4	0	0	0	115.4	V162	V162-H166 PolarHBondContact O-CD2 3.01Å
167	S	36.1	Very low	44.8	Very low	98 Å²	98	128.1 Å²	128.1	69%	0.685	69%	0.691	S	S	*	*	S	Bend	trans	-114.4	58.3	-178.4	59.5	0	0	0	0	112.9
168	G	32.7	Very low	43.3	Very low	65 Å²	65	130.2 Å²	130.2	67%	0.67	70%	0.7	S	S	*	*			trans	-151.3	31.3	-164	0	0	0	0	0	119.2
169	E	35.4	Very low	42	Very low	169 Å²	169	136.2 Å²	136.2	79%	0.79	72%	0.723	S	S	*	*			trans	-148.8	93	166.7	-127.1	153.5	-152.7	0	0	117.6
170	K	33.6	Very low	40.9	Very low	175 Å²	175	135.2 Å²	135.2	76%	0.761	74%	0.735	S	S	*	*				53.2	105	128	-62.8	169.2	-168.7	145.9	0	120.2
171	S	30.4	Very low	39.5	Very low	123 Å²	123	138.4 Å²	138.4	86%	0.86	75%	0.747	S	S	*	*			trans	-110.6	142.8	149.3	56.1	0	0	0	0	110.5
172	V	37.3	Very low	38.1	Very low	138 Å²	138	141.5 Å²	141.5	84%	0.836	76%	0.758	S	S	*	*			trans	-113.8	130.8	179.7	175.6	0	0	0	0	110.8
173	T	30.1	Very low	36.9	Very low	123 Å²	123	143.7 Å²	143.7	76%	0.755	78%	0.777	S	S	*	*			trans	-59.4	144.6	179.9	37.1	0	0	0	0	115.4
174	K	34.3	Very low	35.8	Very low	199 Å²	199	140.6 Å²	140.6	87%	0.865	78%	0.78	S	S	*	*				-171.8	155.8	104.5	-106.6	175.3	178.7	175.3	0	115.3
175	E	29	Very low	34.8	Very low	176 Å²	176	146.2 Å²	146.2	82%	0.822	80%	0.796	S	S	*	*			trans	-87.1	160	-174.7	-52.5	147.1	120.1	0	0	112.3
176	S	34.5	Very low	34	Very low	109 Å²	109	142.7 Å²	142.7	76%	0.762	79%	0.794	S	S	*	*				160.8	137.6	104.5	57.1	0	0	0	0	116.2
177	N	31.2	Very low	33.4	Very low	153 Å²	153	142.7 Å²	142.7	82%	0.818	80%	0.799	S	S	*	*			trans	57.8	111.7	141.9	-94.8	-30	0	0	0	124
178	S	33.9	Very low	33.4	Very low	83 Å²	83	141.6 Å²	141.6	58%	0.58	80%	0.804	S	S	*	*				121.2	140.9	100.2	75.8	0	0	0	0	119.5
179	K	34.8	Very low	33.7	Very low	202 Å²	202	148.8 Å²	148.8	88%	0.878	82%	0.817	S	S	*	*			trans	64.5	133	163.1	-58.2	157.7	-176	169.6	0	116.3
180	G	31.2	Very low	33.7	Very low	75 Å²	75	144.4 Å²	144.4	77%	0.773	82%	0.817	S	S	*	*			cis	112.5	86.7	-4.2	0	0	0	0	0	114.9
181	K	33.6	Very low	33.9	Very low	213 Å²	213	142.3 Å²	142.3	93%	0.926	82%	0.819	S	S	*	*			trans	-164.5	140.2	148.1	-128.7	173.9	-178.2	178.4	0	114.2
182	K	29.3	Very low	34.2	Very low	198 Å²	198	146.7 Å²	146.7	86%	0.861	82%	0.816	S	S	*	*			trans	-89.2	152.8	163.8	-63.7	171.5	174.5	176.1	0	109.7
183	S	34.5	Very low	34.3	Very low	122 Å²	122	147.1 Å²	147.1	85%	0.853	81%	0.814	S	S	*	*				-174.2	154.7	129.9	43.8	0	0	0	0	112.6
184	T	32.3	Very low	34.8	Very low	131 Å²	131	147.5 Å²	147.5	80%	0.804	81%	0.811	S	S	*	*			trans	-110.7	172.2	-175	43.3	0	0	0	0	112.5
185	K	35.8	Very low	35.2	Very low	212 Å²	212	144.1 Å²	144.1	92%	0.922	80%	0.801	S	S	*	*			trans	83.2	139.7	167.9	-61.8	-176.2	169.5	-174.3	0	118.5
186	G	34	Very low	36	Very low	65 Å²	65	143.6 Å²	143.6	67%	0.67	80%	0.799	S	S	*	*				127.8	87.4	128	0	0	0	0	0	117.3
187	D	36.8	Very low	36.3	Very low	167 Å²	167	146.8 Å²	146.8	89%	0.893	80%	0.802	S	S	*	*			trans	43.9	103.5	137.5	-50.2	-27.1	0	0	0	120.5
188	G	36	Very low	36.9	Very low	76 Å²	76	145.4 Å²	145.4	78%	0.784	79%	0.79	S	S	*	*				66.7	101.6	114.1	0	0	0	0	0	119.8
189	K	39.5	Very low	37.7	Very low	216 Å²	216	146.1 Å²	146.1	94%	0.939	79%	0.788	S	S	*	*			trans	-154	139.9	132.1	-110.5	160.1	-172.6	175.3	0	109.8
190	G	35.6	Very low	38.7	Very low	77 Å²	77	144.9 Å²	144.9	79%	0.794	79%	0.785	S	S	*	*			trans	-81.6	148.7	-159.5	0	0	0	0	0	115.3
191	V	38.7	Very low	40.1	Very low	131 Å²	131	146.5 Å²	146.5	79%	0.794	78%	0.775	S	S	*	*			trans	-114.3	138.8	147	178.6	0	0	0	0	105.6
192	R	35.1	Very low	41.8	Very low	214 Å²	214	142.1 Å²	142.1	81%	0.808	76%	0.757	S	S	*	*			trans	-96.4	123.8	178.1	-84.3	-179.6	178.1	157	-6.1	108.2	D194	R192-D194 WeakPolarHBondContact CB-OD1 3.38Å
193	D	39.4	Very low	43.5	Very low	148 Å²	148	135.9 Å²	135.9	79%	0.791	74%	0.739	S	S	*	*			trans	-129.3	58.5	163.6	-73.9	-47.6	0	0	0	108.8	I195	D193-I195 VanDerWaalsContact C-N 3.29Å
194	D	40.5	Very low	45.1	Very low	131 Å²	131	136.6 Å²	136.6	70%	0.701	72%	0.724	S	S	*	*			trans	-93.3	55.7	162.9	52.8	-43.1	0	0	0	110.4	R192	R192-D194 WeakPolarHBondContact CB-OD1 3.38Å
195	I	43.9	Very low	47.1	Very low	128 Å²	128	135 Å²	135	66%	0.656	71%	0.71	S	S	*	*			trans	-126.2	117.1	173.7	-68.7	-177.7	0	0	0	109	D193	D193-I195 VanDerWaalsContact C-N 3.29Å
196	E	45.1	Very low	49	Very low	164 Å²	164	131.4 Å²	131.4	77%	0.766	69%	0.691	S	S	*	*			trans	43.6	97.9	149.2	-64.5	149.1	-149.1	0	0	115.9	E198	E196-E198 PolarHBondContact O-N 3.43Å
197	Q	42	Very low	50.8	Low	177 Å²	177	132.8 Å²	132.8	83%	0.827	68%	0.678	S	S	*	*				45.7	78.3	104.7	-67.9	-179.8	38.5	0	0	112.1	D199	Q197-D199 VanDerWaalsContact C-N 3.31Å; Q197-D199 PolarHBondContact O-N 2.94Å
198	E	43.8	Very low	52.6	Low	124 Å²	124	128.6 Å²	128.6	58%	0.579	65%	0.654	S	S	*	*			trans	-54.2	107.7	149.8	-85.9	-174	159.8	0	0	105.3	E196 R206	E196-E198 PolarHBondContact O-N 3.43Å; E198-R206 IonicContact OE1-NH1 2.65Å; E198-R206 PolarHBondContact OE1-NH1 3.33Å
199	D	50.3	Low	54.5	Low	97 Å²	97	132.5 Å²	132.5	52%	0.519	65%	0.652	S	S	.	*			trans	-55.4	147.1	178.8	-121	-25.5	0	0	0	108.2	Q197 I201 E202 S203	Q197-D199 VanDerWaalsContact C-N 3.31Å; Q197-D199 PolarHBondContact O-N 2.94Å; D199-I201 HydrophobicContact CB-CB 4.28Å; D199-I201 PolarHBondContact O-N 2.85Å; D199-E202 PolarHBondContact O-N 3.06Å; D199-S203 PolarHBondContact O-N 2.93Å; D199-S203 VanDerWaalsContact O-N 3.13Å
200	E	55.3	Low	56.2	Low	177 Å²	177	128.9 Å²	128.9	83%	0.827	64%	0.639	S	S	*	*	H	α-helix	trans	-54.9	-24.1	175.3	-65.8	-175.7	157.4	0	0	111.1	Y204	E200-Y204 WeakPolarHBondContact O-CB 3.41Å; E200-Y204 PolarHBondContact O-N 3.26Å
201	I	61.6	Low	57.6	Low	108 Å²	108	127.9 Å²	127.9	55%	0.554	62%	0.615	S	S	*	*	H	α-helix	trans	-67.9	-42.3	173.4	-56.1	170.9	0	0	0	112.5	D199 Y204 L205	D199-I201 HydrophobicContact CB-CB 4.28Å; D199-I201 PolarHBondContact O-N 2.85Å; I201-Y204 PolarHBondContact O-N 3.34Å; I201-L205 HydrophobicContact CG2-CD1 4Å; I201-L205 WeakPolarHBondContact O-CB 3.38Å; I201-L205 VanDerWaalsContact O-CG 3.27Å; I201-L205 WeakPolarHBondContact O-CG 3.5Å; I201-L205 PolarHBondContact O-N 3.27Å
202	E	67.3	Low	58.5	Low	121 Å²	121	125.5 Å²	125.5	57%	0.565	60%	0.602	S	S	*	*	H	α-helix	trans	-78.2	-36.7	-177.7	-164.9	157.6	-145.4	0	0	111.2	D199 Y204 L205 R206	D199-E202 PolarHBondContact O-N 3.06Å; E202-Y204 VanDerWaalsContact C-N 3.31Å; E202-Y204 PolarHBondContact O-N 3.24Å; E202-L205 PolarHBondContact O-N 3.48Å; E202-R206 WeakPolarHBondContact O-CB 3.42Å; E202-R206 PolarHBondContact O-N 3.26Å
203	S	65.2	Low	59.8	Low	68 Å²	68	122.7 Å²	122.7	48%	0.476	60%	0.598	S	S	.	*	H	α-helix	trans	-57.5	-43.3	165	174.8	0	0	0	0	111.9	D199 F207	D199-S203 PolarHBondContact O-N 2.93Å; D199-S203 VanDerWaalsContact O-N 3.13Å; S203-F207 WeakPolarHBondContact O-CB 3.39Å; S203-F207 PolarHBondContact O-N 3.01Å
204	Y	69.7	Low	60.3	Low	137 Å²	137	120.2 Å²	120.2	54%	0.537	58%	0.584	S	S	.	*	H	α-helix	trans	-68.7	-39.9	176.8	176.2	-108.9	0	0	0	112.8	E200 I201 E202 F207 M208	E200-Y204 WeakPolarHBondContact O-CB 3.41Å; E200-Y204 PolarHBondContact O-N 3.26Å; I201-Y204 PolarHBondContact O-N 3.34Å; E202-Y204 VanDerWaalsContact C-N 3.31Å; E202-Y204 PolarHBondContact O-N 3.24Å; Y204-F207 PolarHBondContact O-N 3.3Å; Y204-M208 HydrophobicContact CD1-CG 4.36Å; Y204-M208 HydrophobicContact CD2-CG 4.34Å; Y204-M208 HydrophobicContact CE1-CG 4.01Å; Y204-M208 HydrophobicContact CE2-CG 3.96Å; Y204-M208 HydrophobicContact CE2-SD 4.06Å; Y204-M208 WeakPolarHBondContact O-CB 3.39Å; Y204-M208 WeakPolarHBondContact O-CG 3.48Å; Y204-M208 PolarHBondContact O-N 2.84Å
205	L	73.3	Confident	61	Low	97 Å²	97	117.7 Å²	117.7	51%	0.508	59%	0.589	S	S	.	*	H	α-helix	trans	-62.5	-46.4	175.1	-79.8	163.1	0	0	0	111.3	I201 E202 F207 M208 E209	I201-L205 HydrophobicContact CG2-CD1 4Å; I201-L205 WeakPolarHBondContact O-CB 3.38Å; I201-L205 VanDerWaalsContact O-CG 3.27Å; I201-L205 WeakPolarHBondContact O-CG 3.5Å; I201-L205 PolarHBondContact O-N 3.27Å; E202-L205 PolarHBondContact O-N 3.48Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.45Å; L205-M208 CarbonylContact O-C 3.58Å; L205-M208 WeakPolarHBondContact O-CB 3.36Å; L205-M208 PolarHBondContact O-N 3.23Å; L205-M208 VanDerWaalsContact O-N 3.11Å; L205-E209 PolarHBondContact O-N 3.32Å
206	R	74.9	Confident	61	Low	136 Å²	136	117 Å²	117	51%	0.513	59%	0.586	S	S	.	*	H	α-helix	trans	-62.1	-40.5	175.9	-153.7	-172.2	-141.3	146.5	8.2	111.7	E198 E202 M208 E209 E210	E198-R206 IonicContact OE1-NH1 2.65Å; E198-R206 PolarHBondContact OE1-NH1 3.33Å; E202-R206 WeakPolarHBondContact O-CB 3.42Å; E202-R206 PolarHBondContact O-N 3.26Å; R206-M208 VanDerWaalsContact C-N 3.34Å; R206-M208 PolarHBondContact O-N 2.82Å; R206-E209 PolarHBondContact O-N 3.4Å; R206-E210 WeakPolarHBondContact O-CB 3.4Å; R206-E210 WeakPolarHBondContact O-CG 3.44Å; R206-E210 PolarHBondContact O-N 2.94Å
207	F	73.6	Confident	60.9	Low	95 Å²	95	114.4 Å²	114.4	42%	0.417	58%	0.583	S	S	.	*	H	α-helix	trans	-63	-37.4	173.4	176.8	-97.4	0	0	0	112.6	S203 Y204 L205 N211 L214	S203-F207 WeakPolarHBondContact O-CB 3.39Å; S203-F207 PolarHBondContact O-N 3.01Å; Y204-F207 PolarHBondContact O-N 3.3Å; L205-F207 VanDerWaalsContact C-N 3.32Å; L205-F207 PolarHBondContact O-N 3.45Å; F207-N211 VanDerWaalsContact O-CB 3.31Å; F207-N211 WeakPolarHBondContact O-CB 3.25Å; F207-N211 PolarHBondContact O-N 3.02Å; F207-N211 PolarHBondContact O-ND2 3.19Å; F207-L214 HydrophobicContact CE1-CD1 4.23Å; F207-L214 HydrophobicContact CE1-CD2 4.11Å; F207-L214 HydrophobicContact CZ-CD1 3.74Å; F207-L214 HydrophobicContact CZ-CD2 4.16Å
208	M	74.1	Confident	60.7	Low	78 Å²	78	108.8 Å²	108.8	38%	0.384	57%	0.573	S	S	.	*	H	α-helix	trans	-71.1	-37	174.7	-70.3	-77.4	-66.5	0	0	112.5	Y204 L205 R206 N211	Y204-M208 HydrophobicContact CD1-CG 4.36Å; Y204-M208 HydrophobicContact CD2-CG 4.34Å; Y204-M208 HydrophobicContact CE1-CG 4.01Å; Y204-M208 HydrophobicContact CE2-CG 3.96Å; Y204-M208 HydrophobicContact CE2-SD 4.06Å; Y204-M208 WeakPolarHBondContact O-CB 3.39Å; Y204-M208 WeakPolarHBondContact O-CG 3.48Å; Y204-M208 PolarHBondContact O-N 2.84Å; L205-M208 CarbonylContact O-C 3.58Å; L205-M208 WeakPolarHBondContact O-CB 3.36Å; L205-M208 PolarHBondContact O-N 3.23Å; L205-M208 VanDerWaalsContact O-N 3.11Å; R206-M208 VanDerWaalsContact C-N 3.34Å; R206-M208 PolarHBondContact O-N 2.82Å; M208-N211 CarbonylContact O-C 3.59Å; M208-N211 PolarHBondContact O-N 3.33Å
209	E	75.4	Confident	60.6	Low	159 Å²	159	110.1 Å²	110.1	74%	0.743	58%	0.584	S	S	*	*	H	α-helix	trans	-69.6	-39.7	174.5	-75.7	-170.3	145.1	0	0	112.7	L205 R206 N211	L205-E209 PolarHBondContact O-N 3.32Å; R206-E209 PolarHBondContact O-N 3.4Å; E209-N211 VanDerWaalsContact C-N 3.28Å
210	E	75.5	Confident	60.3	Low	139 Å²	139	112.1 Å²	112.1	65%	0.65	60%	0.595	S	S	*	*	H	α-helix	trans	-73	-21	174.8	-72.4	179.1	-178.4	0	0	112.6	R206	R206-E210 WeakPolarHBondContact O-CB 3.4Å; R206-E210 WeakPolarHBondContact O-CG 3.44Å; R206-E210 PolarHBondContact O-N 2.94Å
211	N	64.1	Low	59.7	Low	56 Å²	56	109.6 Å²	109.6	30%	0.299	58%	0.583	S	S	.	*			trans	-129.7	64.9	-179.5	-54.6	-98	0	0	0	111.8	F207 M208 E209 H213 L214	F207-N211 VanDerWaalsContact O-CB 3.31Å; F207-N211 WeakPolarHBondContact O-CB 3.25Å; F207-N211 PolarHBondContact O-N 3.02Å; F207-N211 PolarHBondContact O-ND2 3.19Å; M208-N211 CarbonylContact O-C 3.59Å; M208-N211 PolarHBondContact O-N 3.33Å; E209-N211 VanDerWaalsContact C-N 3.28Å; N211-H213 PolarHBondContact O-N 2.81Å; N211-L214 HydrophobicContact CB-CB 3.76Å; N211-L214 HydrophobicContact CB-CD1 3.55Å; N211-L214 HydrophobicContact CB-CG 4.29Å; N211-L214 VanDerWaalsContact O-CB 3.31Å; N211-L214 WeakPolarHBondContact O-CB 3.35Å; N211-L214 PolarHBondContact O-N 3.24Å
212	P	57.8	Low	58.7	Low	81 Å²	81	112.4 Å²	112.4	53%	0.526	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64	-15.5	-175.1	26.6	-35.3	0	0	0	113.9
213	H	62.1	Low	57.7	Low	156 Å²	156	111.8 Å²	111.8	72%	0.722	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	0.1	176.5	-57.3	-72	0	0	0	113.8	N211 G215	N211-H213 PolarHBondContact O-N 2.81Å; H213-G215 PolarHBondContact O-N 2.95Å; H213-G215 VanDerWaalsContact O-N 3.12Å
214	L	51.2	Low	56.7	Low	96 Å²	96	114.2 Å²	114.2	50%	0.503	60%	0.603	S	S	.	*	S	Bend	trans	-87.2	86.5	-173	-135	144.9	0	0	0	111	F207 N211	F207-L214 HydrophobicContact CE1-CD1 4.23Å; F207-L214 HydrophobicContact CE1-CD2 4.11Å; F207-L214 HydrophobicContact CZ-CD1 3.74Å; F207-L214 HydrophobicContact CZ-CD2 4.16Å; N211-L214 HydrophobicContact CB-CB 3.76Å; N211-L214 HydrophobicContact CB-CD1 3.55Å; N211-L214 HydrophobicContact CB-CG 4.29Å; N211-L214 VanDerWaalsContact O-CB 3.31Å; N211-L214 WeakPolarHBondContact O-CB 3.35Å; N211-L214 PolarHBondContact O-N 3.24Å
215	G	53.7	Low	56.1	Low	77 Å²	77	112.4 Å²	112.4	79%	0.794	60%	0.596	S	S	*	*	S	Bend	trans	125	-13.6	178.9	0	0	0	0	0	114.2	H213	H213-G215 PolarHBondContact O-N 2.95Å; H213-G215 VanDerWaalsContact O-N 3.12Å
216	L	44.7	Very low	55.4	Low	115 Å²	115	114.1 Å²	114.1	60%	0.602	60%	0.601	S	S	*	*	S	Bend	trans	-66.4	145.6	157.9	-71.7	170.2	0	0	0	108.9	G218	L216-G218 PolarHBondContact O-N 2.91Å
217	P	43	Very low	55.3	Low	108 Å²	108	114.1 Å²	114.1	70%	0.701	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-54.9	124.7	158.2	-13.9	28.3	0	0	0	106.5	D219	P217-D219 PolarHBondContact O-N 2.84Å
218	G	38.9	Very low	55.4	Low	60 Å²	60	112.2 Å²	112.2	62%	0.619	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-62	125.7	170.9	0	0	0	0	0	108.1	L216	L216-G218 PolarHBondContact O-N 2.91Å
219	D	40.7	Very low	55.5	Low	152 Å²	152	113.8 Å²	113.8	81%	0.813	62%	0.622	S	S	*	*	S	Bend	trans	-46.1	142.1	152.8	-65.6	-53.2	0	0	0	107.9	P217	P217-D219 PolarHBondContact O-N 2.84Å
220	D	44.5	Very low	55.4	Low	138 Å²	138	113 Å²	113	74%	0.738	62%	0.622	S	S	*	*	S	Bend	trans	79.6	76.4	-160.5	-47.4	-22.9	0	0	0	114.3
221	E	41.8	Very low	54.8	Low	124 Å²	124	108.6 Å²	108.6	58%	0.579	62%	0.615	S	S	*	*			cis	-152.5	118.4	12.8	-56.6	171.3	126.7	0	0	108.2	E223 K239	E221-E223 PolarHBondContact O-N 2.89Å; E221-K239 VanDerWaalsContact CD-CE 3.49Å; E221-K239 WeakPolarHBondContact OE1-CE 3.48Å; E221-K239 IonicContact OE1-NZ 3.72Å; E221-K239 PolarHBondContact OE1-NZ 3.08Å; E221-K239 WeakPolarHBondContact OE2-CD 3.33Å; E221-K239 WeakPolarHBondContact OE2-CE 3.44Å; E221-K239 IonicContact OE2-NZ 2.71Å; E221-K239 PolarHBondContact OE2-NZ 3Å; E221-K239 VanDerWaalsContact OE2-NZ 3.13Å
222	E	41.4	Very low	55	Low	167 Å²	167	110.4 Å²	110.4	78%	0.78	62%	0.624	S	S	*	*			trans	-64.3	120.7	155.5	-79.5	-165.9	147	0	0	106.9	V224	E222-V224 PolarHBondContact O-N 3.16Å
223	E	45.2	Very low	55.4	Low	108 Å²	108	110.8 Å²	110.8	51%	0.505	62%	0.621	S	S	.	*			trans	-65.7	93.7	166.1	-75.6	-175.7	159.8	0	0	107	E221 Y225	E221-E223 PolarHBondContact O-N 2.89Å; E223-Y225 VanDerWaalsContact C-N 3.27Å; E223-Y225 HydrophobicContact CB-CD1 4.45Å; E223-Y225 HydrophobicContact CB-CE1 3.86Å; E223-Y225 HydrophobicContact CB-CE2 4.31Å; E223-Y225 VanDerWaalsContact O-CD2 3.22Å; E223-Y225 WeakPolarHBondContact O-CD2 3.48Å; E223-Y225 WeakPolarHBondContact O-CE2 2.87Å; E223-Y225 PolarHBondContact O-N 2.96Å; E223-Y225 PolarHBondContact OE2-OH 2.69Å; E223-Y225 VanDerWaalsContact OE2-OH 3.06Å
224	V	44.8	Very low	55.2	Low	120 Å²	120	107 Å²	107	73%	0.727	61%	0.606	S	S	*	*			trans	-62.9	94.1	171.9	179.5	0	0	0	0	107.2	E222 E226	E222-V224 PolarHBondContact O-N 3.16Å; V224-E226 PolarHBondContact O-N 2.82Å
225	Y	57.9	Low	55.1	Low	99 Å²	99	105.7 Å²	105.7	39%	0.388	62%	0.615	S	S	.	*			trans	-71.5	107.7	173.5	-57.5	-65.3	0	0	0	108.2	E223 Y227 I233 T236	E223-Y225 VanDerWaalsContact C-N 3.27Å; E223-Y225 HydrophobicContact CB-CD1 4.45Å; E223-Y225 HydrophobicContact CB-CE1 3.86Å; E223-Y225 HydrophobicContact CB-CE2 4.31Å; E223-Y225 VanDerWaalsContact O-CD2 3.22Å; E223-Y225 WeakPolarHBondContact O-CD2 3.48Å; E223-Y225 WeakPolarHBondContact O-CE2 2.87Å; E223-Y225 PolarHBondContact O-N 2.96Å; E223-Y225 PolarHBondContact OE2-OH 2.69Å; E223-Y225 VanDerWaalsContact OE2-OH 3.06Å; Y225-Y227 WeakPolarHBondContact O-CD2 3.32Å; Y225-Y227 WeakPolarHBondContact O-CE2 3.27Å; Y225-I233 HydrophobicContact CD1-CD1 3.93Å; Y225-I233 HydrophobicContact CD1-CG1 4.25Å; Y225-I233 HydrophobicContact CD1-CG2 3.74Å; Y225-I233 HydrophobicContact CE1-CD1 4.24Å; Y225-I233 HydrophobicContact CG-CD1 4.33Å; Y225-I233 HydrophobicContact CG-CG1 4.42Å; Y225-I233 HydrophobicContact CG-CG2 4.42Å; Y225-T236 HydrophobicContact CD1-CG2 4.22Å
226	E	58.4	Low	54.6	Low	132 Å²	132	105.4 Å²	105.4	62%	0.617	60%	0.598	S	S	*	*			trans	-67.5	130.8	159.5	-69.9	-168.2	161.2	0	0	108.2	V224 I233 I234	V224-E226 PolarHBondContact O-N 2.82Å; E226-I233 CarbonylContact O-C 3.57Å; E226-I233 WeakPolarHBondContact O-CA 3.11Å; E226-I234 HydrophobicContact CB-CB 4.05Å; E226-I234 HydrophobicContact CB-CD1 4.23Å; E226-I234 PolarHBondContact O-N 3.45Å
227	Y	72.3	Confident	54.5	Low	136 Å²	136	108.8 Å²	108.8	53%	0.533	61%	0.611	S	S	.	*	B	Isolated β-bridge	trans	-108.5	138.6	175.5	-65.5	-86.3	0	0	0	109.4	Y225 G231 N232 I233	Y225-Y227 WeakPolarHBondContact O-CD2 3.32Å; Y225-Y227 WeakPolarHBondContact O-CE2 3.27Å; Y227-G231 WeakPolarHBondContact CD1-O 3.26Å; Y227-N232 CarbonylContact C-O 3.54Å; Y227-N232 VanDerWaalsContact CA-O 3.27Å; Y227-N232 WeakPolarHBondContact CA-O 3.42Å; Y227-I233 HydrophobicContact CD1-CG1 4.17Å; Y227-I233 HydrophobicContact CE1-CG1 3.65Å
228	D	75.5	Confident	54.8	Low	56 Å²	56	112.9 Å²	112.9	30%	0.299	62%	0.618	S	S	.	*			trans	-72.4	174.1	169.4	67.2	18.4	0	0	0	111	D230 G231 N232 I234	D228-D230 PolarHBondContact O-N 3.12Å; D228-D230 VanDerWaalsContact O-N 3.08Å; D228-D230 VanDerWaalsContact OD1-C 3.32Å; D228-D230 WeakPolarHBondContact OD1-CA 3.42Å; D228-D230 WeakPolarHBondContact OD1-CB 3.37Å; D228-D230 PolarHBondContact OD1-N 3.4Å; D228-G231 PolarHBondContact O-N 2.92Å; D228-G231 PolarHBondContact OD1-N 2.63Å; D228-N232 PolarHBondContact N-O 2.9Å; D228-N232 PolarHBondContact OD1-N 2.99Å; D228-N232 PolarHBondContact OD1-ND2 3.4Å; D228-N232 VanDerWaalsContact OD1-ND2 3.16Å; D228-N232 WeakPolarHBondContact OD2-CB 3.46Å; D228-N232 PolarHBondContact OD2-ND2 3.38Å; D228-I234 HydrophobicContact CB-CD1 4.03Å; D228-I234 HydrophobicContact CB-CG1 3.83Å
229	A	76.2	Confident	55.5	Low	111 Å²	111	115.8 Å²	115.8	92%	0.917	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-15.7	179.2	0	0	0	0	0	113.6
230	D	73	Confident	56.5	Low	141 Å²	141	114.1 Å²	114.1	75%	0.754	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-1	178	-60.8	-52.3	0	0	0	112.4	D228	D228-D230 PolarHBondContact O-N 3.12Å; D228-D230 VanDerWaalsContact O-N 3.08Å; D228-D230 VanDerWaalsContact OD1-C 3.32Å; D228-D230 WeakPolarHBondContact OD1-CA 3.42Å; D228-D230 WeakPolarHBondContact OD1-CB 3.37Å; D228-D230 PolarHBondContact OD1-N 3.4Å
231	G	64.2	Low	57.5	Low	48 Å²	48	110 Å²	110	50%	0.495	59%	0.586	S	S	.	*	S	Bend	trans	82.7	14.6	178.8	0	0	0	0	0	115.1	Y227 D228	Y227-G231 WeakPolarHBondContact CD1-O 3.26Å; D228-G231 PolarHBondContact O-N 2.92Å; D228-G231 PolarHBondContact OD1-N 2.63Å
232	N	67.4	Low	59	Low	93 Å²	93	108.9 Å²	108.9	50%	0.497	58%	0.584	S	S	.	*			trans	-84.8	145.3	172.6	-45	-71.8	0	0	0	110.4	Y227 D228 I234	Y227-N232 CarbonylContact C-O 3.54Å; Y227-N232 VanDerWaalsContact CA-O 3.27Å; Y227-N232 WeakPolarHBondContact CA-O 3.42Å; D228-N232 PolarHBondContact N-O 2.9Å; D228-N232 PolarHBondContact OD1-N 2.99Å; D228-N232 PolarHBondContact OD1-ND2 3.4Å; D228-N232 VanDerWaalsContact OD1-ND2 3.16Å; D228-N232 WeakPolarHBondContact OD2-CB 3.46Å; D228-N232 PolarHBondContact OD2-ND2 3.38Å; N232-I234 PolarHBondContact O-N 3.23Å; N232-I234 VanDerWaalsContact O-N 3.09Å
233	I	67.1	Low	60.9	Low	89 Å²	89	104.5 Å²	104.5	46%	0.456	57%	0.57	S	S	.	*	B	Isolated β-bridge	trans	-65.6	111.1	172.9	-59.2	169	0	0	0	108.6	Y225 E226 Y227 G235 T236	Y225-I233 HydrophobicContact CD1-CD1 3.93Å; Y225-I233 HydrophobicContact CD1-CG1 4.25Å; Y225-I233 HydrophobicContact CD1-CG2 3.74Å; Y225-I233 HydrophobicContact CE1-CD1 4.24Å; Y225-I233 HydrophobicContact CG-CD1 4.33Å; Y225-I233 HydrophobicContact CG-CG1 4.42Å; Y225-I233 HydrophobicContact CG-CG2 4.42Å; E226-I233 CarbonylContact O-C 3.57Å; E226-I233 WeakPolarHBondContact O-CA 3.11Å; Y227-I233 HydrophobicContact CD1-CG1 4.17Å; Y227-I233 HydrophobicContact CE1-CG1 3.65Å; I233-G235 PolarHBondContact O-N 2.83Å; I233-T236 HydrophobicContact CG2-CG2 4.47Å
234	I	56.8	Low	62.9	Low	78 Å²	78	99.8 Å²	99.8	40%	0.4	55%	0.548	S	S	.	.			trans	-61.3	128.5	167.3	-63.2	171.5	0	0	0	106.4	E226 D228 N232 T236	E226-I234 HydrophobicContact CB-CB 4.05Å; E226-I234 HydrophobicContact CB-CD1 4.23Å; E226-I234 PolarHBondContact O-N 3.45Å; D228-I234 HydrophobicContact CB-CD1 4.03Å; D228-I234 HydrophobicContact CB-CG1 3.83Å; N232-I234 PolarHBondContact O-N 3.23Å; N232-I234 VanDerWaalsContact O-N 3.09Å; I234-T236 PolarHBondContact O-N 2.85Å
235	G	50.4	Low	64.8	Low	68 Å²	68	98.4 Å²	98.4	70%	0.701	54%	0.542	S	S	*	.			trans	-56.5	106.3	-165.6	0	0	0	0	0	112.6	I233 E237	I233-G235 PolarHBondContact O-N 2.83Å; G235-E237 PolarHBondContact O-N 3.43Å
236	T	43.3	Very low	66.1	Low	71 Å²	71	99.9 Å²	99.9	44%	0.436	56%	0.564	S	S	.	*			trans	-45.8	124.8	173.4	53.2	0	0	0	0	109.6	Y225 I233 I234 K238	Y225-T236 HydrophobicContact CD1-CG2 4.22Å; I233-T236 HydrophobicContact CG2-CG2 4.47Å; I234-T236 PolarHBondContact O-N 2.85Å; T236-K238 PolarHBondContact O-N 2.97Å; T236-K238 VanDerWaalsContact O-N 3.11Å
237	E	42.1	Very low	67.5	Low	186 Å²	186	96.8 Å²	96.8	87%	0.869	55%	0.55	S	S	*	*			trans	-52.2	124.5	173	-67.6	-164.5	145.6	0	0	108.7	G235 K239	G235-E237 PolarHBondContact O-N 3.43Å; E237-K239 PolarHBondContact O-N 3.43Å
238	K	49.4	Very low	68.3	Low	194 Å²	194	94.1 Å²	94.1	84%	0.843	55%	0.546	S	S	*	.			trans	-63.3	103.2	177.8	-71.5	179.5	-179.1	174.7	0	107.5	T236 T240	T236-K238 PolarHBondContact O-N 2.97Å; T236-K238 VanDerWaalsContact O-N 3.11Å; K238-T240 PolarHBondContact O-N 3.15Å
239	K	53.4	Low	69.1	Low	121 Å²	121	93.5 Å²	93.5	53%	0.526	54%	0.541	S	S	.	.			trans	-42.5	108.9	174.7	-67.6	175.5	-171.8	-78.6	0	108.7	E221 E237 I241	E221-K239 VanDerWaalsContact CD-CE 3.49Å; E221-K239 WeakPolarHBondContact OE1-CE 3.48Å; E221-K239 IonicContact OE1-NZ 3.72Å; E221-K239 PolarHBondContact OE1-NZ 3.08Å; E221-K239 WeakPolarHBondContact OE2-CD 3.33Å; E221-K239 WeakPolarHBondContact OE2-CE 3.44Å; E221-K239 IonicContact OE2-NZ 2.71Å; E221-K239 PolarHBondContact OE2-NZ 3Å; E221-K239 VanDerWaalsContact OE2-NZ 3.13Å; E237-K239 PolarHBondContact O-N 3.43Å; K239-I241 PolarHBondContact O-N 2.92Å
240	T	60.7	Low	69.7	Low	116 Å²	116	93 Å²	93	71%	0.712	53%	0.53	S	S	*	.			trans	-70.2	98.8	176.8	44.7	0	0	0	0	106.5	K238 D242	K238-T240 PolarHBondContact O-N 3.15Å; T240-D242 VanDerWaalsContact C-N 3.34Å; T240-D242 PolarHBondContact O-N 3.43Å
241	I	66.3	Low	70.6	Confident	51 Å²	51	93.7 Å²	93.7	26%	0.262	53%	0.531	S	S	.	.			trans	-65.2	99.6	177.4	-58.4	175	0	0	0	106.9	K239 I432 Q464	K239-I241 PolarHBondContact O-N 2.92Å; I241-I432 HydrophobicContact CG2-CB 4.07Å; I241-I432 HydrophobicContact CG2-CG2 3.69Å; I241-Q464 PolarHBondContact O-NE2 3.27Å
242	D	74	Confident	71.8	Confident	101 Å²	101	93.1 Å²	93.1	54%	0.54	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-56.9	144.4	-179.6	-54.2	-52.4	0	0	0	109.4	T240 K436	T240-D242 VanDerWaalsContact C-N 3.34Å; T240-D242 PolarHBondContact O-N 3.43Å; D242-K436 VanDerWaalsContact O-CE 3.28Å; D242-K436 WeakPolarHBondContact O-CE 3.47Å; D242-K436 PolarHBondContact O-NZ 2.89Å
243	P	81.3	Confident	73	Confident	76 Å²	76	96.5 Å²	96.5	49%	0.494	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-55	154.1	171.9	26.1	-35.1	0	0	0	111.2	S467	P243-S467 WeakPolarHBondContact CB-OG 3.28Å
244	L	86.5	Confident	74.1	Confident	8 Å²	8	94 Å²	94	4%	0.042	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-61.5	142.8	167.1	-63.4	165.5	0	0	0	109.9	I432 V435 K436 S467 H471	L244-I432 HydrophobicContact CD1-CG1 4.06Å; L244-I432 HydrophobicContact CD2-CB 4.39Å; L244-I432 HydrophobicContact CD2-CG2 3.85Å; L244-I432 HydrophobicContact CG-CB 4.26Å; L244-I432 HydrophobicContact CG-CG1 3.95Å; L244-I432 HydrophobicContact CG-CG2 3.9Å; L244-V435 HydrophobicContact CD1-CB 4.34Å; L244-V435 HydrophobicContact CD1-CG1 4.06Å; L244-V435 HydrophobicContact CD2-CB 3.97Å; L244-V435 HydrophobicContact CD2-CG1 3.77Å; L244-K436 HydrophobicContact CD2-CG 3.64Å; L244-S467 PolarHBondContact N-OG 2.88Å; L244-H471 VanDerWaalsContact C-CE1 3.42Å; L244-H471 WeakPolarHBondContact CB-CE1 3.31Å; L244-H471 WeakPolarHBondContact CB-NE2 3.11Å; L244-H471 HydrophobicContact CD1-CB 4.2Å; L244-H471 PolarHBondContact O-CE1 2.99Å; L244-H471 VanDerWaalsContact O-CE1 3.29Å
245	P	84.6	Confident	75.7	Confident	92 Å²	92	93.6 Å²	93.6	60%	0.597	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-68.8	131.6	-175.2	28.9	-35.2	0	0	0	111.3	I247 H471	P245-I247 PolarHBondContact O-N 2.59Å; P245-H471 PolarHBondContact O-CE1 2.77Å; P245-H471 PolarHBondContact O-NE2 2.77Å
246	P	84.7	Confident	77.8	Confident	130 Å²	130	96.3 Å²	96.3	84%	0.844	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-54.7	135	-170.3	23.6	-34.7	0	0	0	112.8
247	I	88.3	Confident	80.2	Confident	66 Å²	66	94.9 Å²	94.9	34%	0.338	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-100.5	130.2	178.5	-67.7	177.9	0	0	0	109.2	P245 H249 I252 H471	P245-I247 PolarHBondContact O-N 2.59Å; I247-H249 PolarHBondContact O-N 2.89Å; I247-I252 HydrophobicContact CG2-CD1 3.55Å; I247-H471 WeakPolarHBondContact CD1-CD2 3.46Å
248	D	89.8	Confident	82.5	Confident	81 Å²	81	87.8 Å²	87.8	43%	0.433	49%	0.494	S	S	.	.			trans	-78.5	104	163.9	-173.1	-8.6	0	0	0	109.7	S250 M251	D248-S250 PolarHBondContact O-N 3.32Å; D248-S250 VanDerWaalsContact OD1-CB 3.25Å; D248-S250 WeakPolarHBondContact OD1-CB 3.34Å; D248-S250 PolarHBondContact OD1-N 3.23Å; D248-S250 PolarHBondContact OD1-OG 2.93Å; D248-S250 PolarHBondContact OD2-OG 3.43Å; D248-M251 HydrophobicContact CB-CE 4.38Å; D248-M251 HydrophobicContact CB-CG 4.24Å; D248-M251 PolarHBondContact O-N 3.5Å; D248-M251 VanDerWaalsContact OD2-CE 3.31Å; D248-M251 WeakPolarHBondContact OD2-CE 3.41Å
249	H	90.8	Very high	84.5	Confident	43 Å²	43	81.1 Å²	81.1	20%	0.199	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-67.3	-21.5	178	-68.1	-70.6	0	0	0	113.3	I247 M251 I252 Y254 N470 V472	I247-H249 PolarHBondContact O-N 2.89Å; H249-M251 PolarHBondContact O-N 3.43Å; H249-I252 PolarHBondContact O-N 2.95Å; H249-Y254 HydrophobicContact CB-CE2 4.35Å; H249-Y254 AromaticContact ND1-CE2 3.95Å; H249-Y254 AromaticContact ND1-CZ 3.78Å; H249-Y254 PolarHBondContact ND1-OH 3.09Å; H249-N470 PolarHBondContact NE2-O 3.21Å; H249-V472 PolarHBondContact CE1-O 3.27Å; H249-V472 VanDerWaalsContact CE1-O 3.27Å; H249-V472 PolarHBondContact NE2-O 3.01Å
250	S	90.4	Very high	86.3	Confident	100 Å²	100	80.5 Å²	80.5	70%	0.699	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-67.9	-26.4	179.5	75.4	0	0	0	0	112.6	D248 I252	D248-S250 PolarHBondContact O-N 3.32Å; D248-S250 VanDerWaalsContact OD1-CB 3.25Å; D248-S250 WeakPolarHBondContact OD1-CB 3.34Å; D248-S250 PolarHBondContact OD1-N 3.23Å; D248-S250 PolarHBondContact OD1-OG 2.93Å; D248-S250 PolarHBondContact OD2-OG 3.43Å; S250-I252 VanDerWaalsContact C-N 3.3Å; S250-I252 PolarHBondContact O-N 3.1Å
251	M	90.5	Very high	87.7	Confident	155 Å²	155	77.3 Å²	77.3	76%	0.764	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-81.3	-4.8	176.8	-57.1	-166.5	-169.4	0	0	113.7	D248 H249	D248-M251 HydrophobicContact CB-CE 4.38Å; D248-M251 HydrophobicContact CB-CG 4.24Å; D248-M251 PolarHBondContact O-N 3.5Å; D248-M251 VanDerWaalsContact OD2-CE 3.31Å; D248-M251 WeakPolarHBondContact OD2-CE 3.41Å; H249-M251 PolarHBondContact O-N 3.43Å
252	I	90.4	Very high	89	Confident	37 Å²	37	76 Å²	76	19%	0.19	44%	0.436	C	S	.	.			trans	-110.5	109.5	-175.2	-57.2	177.2	0	0	0	109.9	I247 H249 S250 Y254	I247-I252 HydrophobicContact CG2-CD1 3.55Å; H249-I252 PolarHBondContact O-N 2.95Å; S250-I252 VanDerWaalsContact C-N 3.3Å; S250-I252 PolarHBondContact O-N 3.1Å; I252-Y254 HydrophobicContact CB-CD2 4.24Å; I252-Y254 HydrophobicContact CB-CE2 3.7Å; I252-Y254 HydrophobicContact CG2-CD1 4.04Å; I252-Y254 HydrophobicContact CG2-CD2 4.02Å; I252-Y254 HydrophobicContact CG2-CE1 3.71Å; I252-Y254 HydrophobicContact CG2-CE2 3.69Å; I252-Y254 HydrophobicContact CG2-CG 4.18Å; I252-Y254 WeakPolarHBondContact O-CD2 3.28Å; I252-Y254 PolarHBondContact O-N 2.84Å
253	N	91.3	Very high	89.9	Confident	163 Å²	163	77.1 Å²	77.1	87%	0.872	45%	0.446	S	S	*	.			trans	-73.2	96.6	171	-173.9	17.6	0	0	0	110.3
254	Y	91.6	Very high	90.4	Very high	38 Å²	38	76.9 Å²	76.9	15%	0.149	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-78.8	140.3	177.8	-69.2	-78.8	0	0	0	112.1	H249 I252 R443 R473	H249-Y254 HydrophobicContact CB-CE2 4.35Å; H249-Y254 AromaticContact ND1-CE2 3.95Å; H249-Y254 AromaticContact ND1-CZ 3.78Å; H249-Y254 PolarHBondContact ND1-OH 3.09Å; I252-Y254 HydrophobicContact CB-CD2 4.24Å; I252-Y254 HydrophobicContact CB-CE2 3.7Å; I252-Y254 HydrophobicContact CG2-CD1 4.04Å; I252-Y254 HydrophobicContact CG2-CD2 4.02Å; I252-Y254 HydrophobicContact CG2-CE1 3.71Å; I252-Y254 HydrophobicContact CG2-CE2 3.69Å; I252-Y254 HydrophobicContact CG2-CG 4.18Å; I252-Y254 WeakPolarHBondContact O-CD2 3.28Å; I252-Y254 PolarHBondContact O-N 2.84Å; Y254-R443 HydrophobicContact CE1-CB 4.46Å; Y254-R473 HydrophobicContact CD1-CB 3.92Å; Y254-R473 HydrophobicContact CD2-CB 4.26Å; Y254-R473 HydrophobicContact CE1-CB 3.65Å; Y254-R473 HydrophobicContact CE2-CB 4Å; Y254-R473 HydrophobicContact CG-CB 4.22Å
255	A	90.7	Very high	90.7	Very high	69 Å²	69	79.6 Å²	79.6	57%	0.57	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-64.1	140.1	170.5	0	0	0	0	0	110.7	R473	A255-R473 PolarHBondContact O-NH1 2.96Å; A255-R473 PolarHBondContact O-NH2 2.82Å
256	P	92.8	Very high	91.1	Very high	125 Å²	125	80.5 Å²	80.5	81%	0.812	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-63.6	152.2	170.6	29.5	-35.2	0	0	0	110
257	F	94	Very high	91.3	Very high	40 Å²	40	79.6 Å²	79.6	18%	0.175	44%	0.439	C	S	.	.			trans	-144	148	-179.4	77	-77.1	0	0	0	110.3	K259 H358 T446 D475	F257-K259 HydrophobicContact CE2-CB 4.01Å; F257-K259 HydrophobicContact CE2-CD 4.33Å; F257-K259 HydrophobicContact CE2-CG 3.81Å; F257-K259 HydrophobicContact CZ-CB 4.48Å; F257-K259 HydrophobicContact CZ-CD 4.19Å; F257-K259 HydrophobicContact CZ-CG 4.18Å; F257-H358 AromaticContact CD2-CE1 3.78Å; F257-H358 AromaticContact CE2-CE1 3.77Å; F257-T446 HydrophobicContact CB-CG2 4.11Å; F257-T446 HydrophobicContact CD1-CG2 3.82Å; F257-T446 HydrophobicContact CD2-CG2 3.48Å; F257-T446 VanDerWaalsContact CD2-CG2 3.48Å; F257-T446 HydrophobicContact CE1-CG2 4.03Å; F257-T446 HydrophobicContact CE2-CG2 3.72Å; F257-T446 HydrophobicContact CG-CG2 3.54Å; F257-T446 HydrophobicContact CZ-CG2 3.99Å; F257-D475 WeakPolarHBondContact CE1-OD2 3.23Å; F257-D475 WeakPolarHBondContact CZ-O 3.42Å
258	A	92	Very high	91.4	Very high	38 Å²	38	76.6 Å²	76.6	31%	0.314	42%	0.423	S	S	.	.			trans	-75.4	140.7	171.2	0	0	0	0	0	110.1	F261 H358 D361 Q362	A258-F261 HydrophobicContact CB-CE1 3.66Å; A258-F261 HydrophobicContact CB-CZ 4.16Å; A258-F261 VanDerWaalsContact O-CZ 3.3Å; A258-F261 WeakPolarHBondContact O-CZ 3.38Å; A258-H358 PolarHBondContact O-CE1 3.15Å; A258-D361 WeakPolarHBondContact CB-OD2 3.38Å; A258-Q362 PolarHBondContact O-NE2 3.07Å
259	K	90	Very high	91.5	Very high	53 Å²	53	75.5 Å²	75.5	23%	0.23	42%	0.422	C	S	.	.			trans	-127.2	-25.1	-177.5	-153.2	-171.7	-172.4	-176.3	0	113.5	F257 G334 D336 D475 R476 Q477	F257-K259 HydrophobicContact CE2-CB 4.01Å; F257-K259 HydrophobicContact CE2-CD 4.33Å; F257-K259 HydrophobicContact CE2-CG 3.81Å; F257-K259 HydrophobicContact CZ-CB 4.48Å; F257-K259 HydrophobicContact CZ-CD 4.19Å; F257-K259 HydrophobicContact CZ-CG 4.18Å; K259-G334 VanDerWaalsContact CD-O 3.31Å; K259-G334 WeakPolarHBondContact CD-O 3.4Å; K259-G334 WeakPolarHBondContact CE-O 3.49Å; K259-G334 PolarHBondContact NZ-O 3.14Å; K259-G334 WeakPolarHBondContact O-CA 3.21Å; K259-G334 PolarHBondContact O-N 3.34Å; K259-G334 VanDerWaalsContact O-N 3.16Å; K259-D336 IonicContact NZ-OD1 3.54Å; K259-D475 PolarHBondContact NZ-O 3.13Å; K259-R476 WeakPolarHBondContact CE-O 3.38Å; K259-R476 PolarHBondContact NZ-O 2.94Å; K259-Q477 VanDerWaalsContact CE-CA 3.49Å; K259-Q477 VanDerWaalsContact CE-CB 3.45Å
260	N	92.5	Very high	91.5	Very high	108 Å²	108	77.8 Å²	77.8	58%	0.578	44%	0.443	S	S	*	.			trans	-113.5	114	-177.6	178.8	12.8	0	0	0	110.2	Y262 A333	N260-Y262 PolarHBondContact OD1-N 2.85Å; N260-Y262 VanDerWaalsContact OD1-N 3.16Å; N260-A333 WeakPolarHBondContact OD1-CA 3.44Å
261	F	89.7	Confident	91.4	Very high	50 Å²	50	75.5 Å²	75.5	22%	0.219	42%	0.423	C	S	.	.			trans	-118.9	-2.4	179.8	-40.2	-76	0	0	0	111.9	A258 V263 L332 I357 H358 D361	A258-F261 HydrophobicContact CB-CE1 3.66Å; A258-F261 HydrophobicContact CB-CZ 4.16Å; A258-F261 VanDerWaalsContact O-CZ 3.3Å; A258-F261 WeakPolarHBondContact O-CZ 3.38Å; F261-V263 PolarHBondContact O-N 3.36Å; F261-L332 PolarHBondContact N-O 3.29Å; F261-I357 HydrophobicContact CB-CG2 4.05Å; F261-I357 HydrophobicContact CD2-CG2 4.26Å; F261-I357 HydrophobicContact CG-CG2 4.06Å; F261-H358 HydrophobicContact CE2-CB 4.07Å; F261-H358 AromaticContact CE2-ND1 3.48Å; F261-H358 WeakPolarHBondContact CE2-ND1 3.47Å; F261-H358 AromaticContact CZ-ND1 3.75Å; F261-D361 HydrophobicContact CD1-CB 4.19Å; F261-D361 HydrophobicContact CE1-CB 3.55Å; F261-D361 WeakPolarHBondContact CE1-OD2 3.22Å; F261-D361 HydrophobicContact CZ-CB 4.27Å
262	Y	92.5	Very high	91.5	Very high	23 Å²	23	72.9 Å²	72.9	9%	0.09	41%	0.412	C	S	.	.			trans	-83.2	115.7	-173.9	-176.5	-114.4	0	0	0	111.4	N260 E264 L293 P329 L332	N260-Y262 PolarHBondContact OD1-N 2.85Å; N260-Y262 VanDerWaalsContact OD1-N 3.16Å; Y262-E264 HydrophobicContact CE1-CB 3.86Å; Y262-E264 HydrophobicContact CE1-CG 4.29Å; Y262-L293 HydrophobicContact CD1-CD1 3.76Å; Y262-L293 HydrophobicContact CE1-CD1 4.03Å; Y262-P329 HydrophobicContact CD1-CB 4.46Å; Y262-P329 HydrophobicContact CD2-CB 4.04Å; Y262-P329 HydrophobicContact CE1-CB 4.03Å; Y262-P329 HydrophobicContact CE2-CB 3.58Å; Y262-P329 HydrophobicContact CG-CB 4.45Å; Y262-L332 HydrophobicContact CD2-CB 4.29Å; Y262-L332 HydrophobicContact CD2-CD1 4.35Å; Y262-L332 HydrophobicContact CG-CB 4.43Å; Y262-L332 PolarHBondContact N-O 3.46Å
263	V	92.5	Very high	91.4	Very high	124 Å²	124	76.4 Å²	76.4	75%	0.752	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-103.5	119.2	165.7	-177.8	0	0	0	0	107.5	F261 H265	F261-V263 PolarHBondContact O-N 3.36Å; V263-H265 PolarHBondContact O-N 3.5Å
264	E	91.9	Very high	91.3	Very high	71 Å²	71	71.8 Å²	71.8	33%	0.332	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-67.4	128.3	-177.4	-174.3	164	-129.9	0	0	111.4	Y262 I268 R294	Y262-E264 HydrophobicContact CE1-CB 3.86Å; Y262-E264 HydrophobicContact CE1-CG 4.29Å; E264-I268 HydrophobicContact CG-CB 4.24Å; E264-I268 HydrophobicContact CG-CG2 4.18Å; E264-I268 WeakPolarHBondContact OE1-CG2 3.43Å; E264-R294 WeakPolarHBondContact OE1-CD 3.37Å
265	H	93	Very high	91.3	Very high	65 Å²	65	70.9 Å²	70.9	30%	0.301	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-67.8	141.8	179.5	-170.3	-107.2	0	0	0	111.5	V263 E267 I268 S269 H301	V263-H265 PolarHBondContact O-N 3.5Å; H265-E267 IonicContact CE1-OE1 3.93Å; H265-E267 PolarHBondContact O-N 2.7Å; H265-E267 VanDerWaalsContact O-N 3.12Å; H265-I268 HydrophobicContact CB-CG1 4.49Å; H265-I268 WeakPolarHBondContact O-CA 3.44Å; H265-I268 PolarHBondContact O-N 3.37Å; H265-S269 PolarHBondContact O-N 2.93Å; H265-H301 HydrophobicContact CB-CB 3.85Å; H265-H301 AromaticContact CE1-CD2 3.97Å; H265-H301 AromaticContact ND1-CD2 3.63Å; H265-H301 AromaticContact ND1-CG 3.92Å
266	V	92.8	Very high	91.3	Very high	112 Å²	112	67.6 Å²	67.6	68%	0.679	39%	0.387	S	S	*	.	H	α-helix	trans	-53	-40.6	-174.3	-177.7	0	0	0	0	112.6	I268 S269 S270	V266-I268 VanDerWaalsContact C-N 3.32Å; V266-I268 PolarHBondContact O-N 3.32Å; V266-S269 WeakPolarHBondContact CA-OG 3.39Å; V266-S269 PolarHBondContact O-N 2.81Å; V266-S269 PolarHBondContact O-OG 3.08Å; V266-S270 VanDerWaalsContact O-CB 3.32Å; V266-S270 WeakPolarHBondContact O-CB 3.39Å; V266-S270 PolarHBondContact O-N 2.77Å; V266-S270 PolarHBondContact O-OG 2.95Å
267	E	90.3	Very high	91.2	Very high	111 Å²	111	65.7 Å²	65.7	52%	0.519	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-38.6	176.8	-66.8	-179.8	-159	0	0	112.5	H265 S270 H301	H265-E267 IonicContact CE1-OE1 3.93Å; H265-E267 PolarHBondContact O-N 2.7Å; H265-E267 VanDerWaalsContact O-N 3.12Å; E267-S270 PolarHBondContact O-N 2.78Å; E267-S270 PolarHBondContact O-OG 2.86Å; E267-H301 IonicContact OE2-CE1 2.7Å; E267-H301 PolarHBondContact OE2-CE1 3.27Å; E267-H301 IonicContact OE2-NE2 3.8Å; E267-H301 PolarHBondContact OE2-NE2 3.34Å
268	I	90.8	Very high	91	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-77.5	-35.7	-179.9	-58.2	-56.8	0	0	0	111.2	E264 H265 V266 S270 L271 R294 V296 H301	E264-I268 HydrophobicContact CG-CB 4.24Å; E264-I268 HydrophobicContact CG-CG2 4.18Å; E264-I268 WeakPolarHBondContact OE1-CG2 3.43Å; H265-I268 HydrophobicContact CB-CG1 4.49Å; H265-I268 WeakPolarHBondContact O-CA 3.44Å; H265-I268 PolarHBondContact O-N 3.37Å; V266-I268 VanDerWaalsContact C-N 3.32Å; V266-I268 PolarHBondContact O-N 3.32Å; I268-S270 PolarHBondContact O-N 3.26Å; I268-L271 HydrophobicContact CD1-CD1 4.09Å; I268-L271 PolarHBondContact O-N 2.93Å; I268-R294 HydrophobicContact CG2-CB 3.46Å; I268-R294 VanDerWaalsContact CG2-CB 3.46Å; I268-R294 HydrophobicContact CG2-CG 4.45Å; I268-R294 WeakPolarHBondContact O-CD 3.5Å; I268-R294 PolarHBondContact O-NH1 2.97Å; I268-V296 HydrophobicContact CG1-CG1 4.4Å; I268-H301 WeakPolarHBondContact CD1-ND1 3.42Å; I268-H301 HydrophobicContact CG1-CB 4.22Å
269	S	90.1	Very high	91	Very high	58 Å²	58	66.9 Å²	66.9	41%	0.406	38%	0.379	S	S	.	.	H	α-helix	trans	-66.4	-27.9	170.6	65.3	0	0	0	0	112.4	H265 V266 L271 R294	H265-S269 PolarHBondContact O-N 2.93Å; V266-S269 WeakPolarHBondContact CA-OG 3.39Å; V266-S269 PolarHBondContact O-N 2.81Å; V266-S269 PolarHBondContact O-OG 3.08Å; S269-L271 VanDerWaalsContact C-N 3.33Å; S269-L271 PolarHBondContact O-N 2.81Å; S269-R294 VanDerWaalsContact C-NH1 3.3Å; S269-R294 PolarHBondContact O-NH1 2.86Å
270	S	90.8	Very high	91.1	Very high	92 Å²	92	65.6 Å²	65.6	64%	0.643	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-14.2	179.1	77.2	0	0	0	0	115	V266 E267 I268	V266-S270 VanDerWaalsContact O-CB 3.32Å; V266-S270 WeakPolarHBondContact O-CB 3.39Å; V266-S270 PolarHBondContact O-N 2.77Å; V266-S270 PolarHBondContact O-OG 2.95Å; E267-S270 PolarHBondContact O-N 2.78Å; E267-S270 PolarHBondContact O-OG 2.86Å; I268-S270 PolarHBondContact O-N 3.26Å
271	L	89.4	Confident	91	Very high	52 Å²	52	64.8 Å²	64.8	27%	0.272	38%	0.375	S	S	.	.			trans	-68.1	140.6	176.1	-67.3	170.2	0	0	0	111.1	I268 S269 V276 L279 R294	I268-L271 HydrophobicContact CD1-CD1 4.09Å; I268-L271 PolarHBondContact O-N 2.93Å; S269-L271 VanDerWaalsContact C-N 3.33Å; S269-L271 PolarHBondContact O-N 2.81Å; L271-V276 HydrophobicContact CB-CG2 3.9Å; L271-V276 HydrophobicContact CD1-CG2 4.47Å; L271-L279 HydrophobicContact CD1-CD2 4.18Å; L271-R294 PolarHBondContact O-NH1 3.09Å; L271-R294 PolarHBondContact O-NH2 3.46Å; L271-R294 VanDerWaalsContact O-NH2 3.1Å
272	D	91.5	Very high	91	Very high	99 Å²	99	70.9 Å²	70.9	53%	0.529	40%	0.402	S	S	.	.			trans	-79.1	160.8	166.8	67.8	-42.1	0	0	0	110.6	A274 G275 V276	D272-A274 PolarHBondContact O-N 2.88Å; D272-A274 WeakPolarHBondContact OD2-CB 3.49Å; D272-G275 CarbonylContact O-C 3.6Å; D272-G275 WeakPolarHBondContact O-CA 3.4Å; D272-G275 PolarHBondContact O-N 2.84Å; D272-G275 VanDerWaalsContact OD1-CA 3.29Å; D272-G275 WeakPolarHBondContact OD1-CA 3.35Å; D272-G275 PolarHBondContact OD1-N 2.69Å; D272-V276 WeakPolarHBondContact O-CG2 3.17Å; D272-V276 PolarHBondContact O-N 3.28Å
273	E	89.2	Confident	90.8	Very high	111 Å²	111	71.7 Å²	71.7	52%	0.519	41%	0.408	S	S	.	.	H	α-helix	trans	-61.2	-32.5	-178.2	-64	-58.4	128.4	0	0	112.3	V276 D277 R294	E273-V276 PolarHBondContact O-N 3.48Å; E273-D277 PolarHBondContact O-N 3.14Å; E273-R294 IonicContact OE1-CZ 3.5Å; E273-R294 IonicContact OE1-NE 2.9Å; E273-R294 IonicContact OE1-NH2 2.65Å; E273-R294 PolarHBondContact OE1-NH2 2.77Å
274	A	89.8	Confident	90.6	Very high	67 Å²	67	67.5 Å²	67.5	55%	0.554	39%	0.389	S	S	*	.	H	α-helix	trans	-69.7	-36.5	173.8	0	0	0	0	0	112.3	D272 S278	D272-A274 PolarHBondContact O-N 2.88Å; D272-A274 WeakPolarHBondContact OD2-CB 3.49Å; A274-S278 WeakPolarHBondContact O-CB 3.41Å; A274-S278 PolarHBondContact O-N 3.14Å
275	G	89.7	Confident	90.5	Very high	19 Å²	19	64.7 Å²	64.7	20%	0.196	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-39.7	169.5	0	0	0	0	0	113	D272 L279	D272-G275 CarbonylContact O-C 3.6Å; D272-G275 WeakPolarHBondContact O-CA 3.4Å; D272-G275 PolarHBondContact O-N 2.84Å; D272-G275 VanDerWaalsContact OD1-CA 3.29Å; D272-G275 WeakPolarHBondContact OD1-CA 3.35Å; D272-G275 PolarHBondContact OD1-N 2.69Å; G275-L279 VanDerWaalsContact O-CB 3.32Å; G275-L279 WeakPolarHBondContact O-CB 3.47Å; G275-L279 PolarHBondContact O-N 3.15Å
276	V	91.3	Very high	90.4	Very high	0 Å²	0	68 Å²	68	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-63.7	-46.5	174.7	172.7	0	0	0	0	111.3	L271 D272 E273 L279 R280 R294	L271-V276 HydrophobicContact CB-CG2 3.9Å; L271-V276 HydrophobicContact CD1-CG2 4.47Å; D272-V276 WeakPolarHBondContact O-CG2 3.17Å; D272-V276 PolarHBondContact O-N 3.28Å; E273-V276 PolarHBondContact O-N 3.48Å; V276-L279 WeakPolarHBondContact O-CB 3.38Å; V276-L279 PolarHBondContact O-N 2.91Å; V276-R280 VanDerWaalsContact CG1-CZ 3.49Å; V276-R280 WeakPolarHBondContact O-CG 3.38Å; V276-R280 PolarHBondContact O-N 2.88Å; V276-R294 HydrophobicContact CG1-CG 4.21Å; V276-R294 HydrophobicContact CG2-CB 4.37Å; V276-R294 HydrophobicContact CG2-CG 3.82Å
277	D	90.5	Very high	90.4	Very high	84 Å²	84	64.3 Å²	64.3	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-73	-31.3	179.6	-77	-14.9	0	0	0	112.7	E273 R280 S281	E273-D277 PolarHBondContact O-N 3.14Å; D277-R280 PolarHBondContact O-N 3.02Å; D277-R280 IonicContact OD1-CZ 2.69Å; D277-R280 IonicContact OD1-NH1 2.86Å; D277-R280 PolarHBondContact OD1-NH1 2.92Å; D277-S281 VanDerWaalsContact O-CB 3.28Å; D277-S281 WeakPolarHBondContact O-CB 3.43Å; D277-S281 PolarHBondContact O-N 3.02Å; D277-S281 PolarHBondContact O-OG 2.9Å
278	S	90.9	Very high	90.4	Very high	78 Å²	78	61.6 Å²	61.6	55%	0.545	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-43.6	167.5	-178.5	0	0	0	0	111.3	A274 S281 K282	A274-S278 WeakPolarHBondContact O-CB 3.41Å; A274-S278 PolarHBondContact O-N 3.14Å; S278-S281 PolarHBondContact O-N 3.2Å; S278-K282 WeakPolarHBondContact O-CB 3.34Å; S278-K282 PolarHBondContact O-N 3.09Å
279	L	91	Very high	90.2	Very high	25 Å²	25	63.5 Å²	63.5	13%	0.131	38%	0.377	C	S	.	.	H	α-helix	trans	-65.4	-44.3	176	178.2	58.2	0	0	0	112.2	L271 G275 V276 S281 K282 L283 P295 C297	L271-L279 HydrophobicContact CD1-CD2 4.18Å; G275-L279 VanDerWaalsContact O-CB 3.32Å; G275-L279 WeakPolarHBondContact O-CB 3.47Å; G275-L279 PolarHBondContact O-N 3.15Å; V276-L279 WeakPolarHBondContact O-CB 3.38Å; V276-L279 PolarHBondContact O-N 2.91Å; L279-S281 VanDerWaalsContact C-N 3.34Å; L279-S281 PolarHBondContact O-N 3Å; L279-K282 PolarHBondContact O-N 2.81Å; L279-L283 HydrophobicContact CD1-CD1 3.92Å; L279-L283 HydrophobicContact CD1-CG 4.2Å; L279-L283 HydrophobicContact CG-CD1 4.12Å; L279-L283 WeakPolarHBondContact O-CB 3.31Å; L279-L283 VanDerWaalsContact O-CG 3.29Å; L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 3.12Å; L279-P295 HydrophobicContact CD2-CG 3.87Å; L279-P295 HydrophobicContact CG-CG 4.01Å; L279-C297 WeakPolarHBondContact CD2-SG 3.47Å
280	R	93	Very high	89.9	Confident	26 Å²	26	62 Å²	62	10%	0.098	37%	0.366	C	S	.	.	H	α-helix	trans	-58.9	-44.8	172.7	-72.4	176.2	179.9	137.5	0.1	111.4	V276 D277 L283 G284 L285 L293 P295	V276-R280 VanDerWaalsContact CG1-CZ 3.49Å; V276-R280 WeakPolarHBondContact O-CG 3.38Å; V276-R280 PolarHBondContact O-N 2.88Å; D277-R280 PolarHBondContact O-N 3.02Å; D277-R280 IonicContact OD1-CZ 2.69Å; D277-R280 IonicContact OD1-NH1 2.86Å; D277-R280 PolarHBondContact OD1-NH1 2.92Å; R280-L283 CarbonylContact O-C 3.59Å; R280-L283 PolarHBondContact O-N 3.18Å; R280-G284 PolarHBondContact O-N 3.5Å; R280-G284 VanDerWaalsContact O-N 3.1Å; R280-L285 HydrophobicContact CB-CB 4.33Å; R280-L285 PolarHBondContact O-N 2.94Å; R280-L293 PolarHBondContact NH2-O 3.12Å; R280-P295 HydrophobicContact CG-CG 3.97Å
281	S	89.4	Confident	89.4	Confident	91 Å²	91	60.5 Å²	60.5	64%	0.636	36%	0.355	S	S	*	.	H	α-helix	trans	-61.9	-46	177.7	-59.5	0	0	0	0	111.9	D277 S278 L279 L283 G284	D277-S281 VanDerWaalsContact O-CB 3.28Å; D277-S281 WeakPolarHBondContact O-CB 3.43Å; D277-S281 PolarHBondContact O-N 3.02Å; D277-S281 PolarHBondContact O-OG 2.9Å; S278-S281 PolarHBondContact O-N 3.2Å; L279-S281 VanDerWaalsContact C-N 3.34Å; L279-S281 PolarHBondContact O-N 3Å; S281-L283 VanDerWaalsContact C-N 3.26Å; S281-L283 PolarHBondContact O-N 2.98Å; S281-G284 PolarHBondContact O-N 3.18Å
282	K	90.1	Very high	89.2	Confident	179 Å²	179	60.4 Å²	60.4	78%	0.778	36%	0.358	S	S	*	.	H	α-helix	trans	-61.4	-33.2	176.1	-176.9	179.8	178.7	-177.2	0	113	S278 L279 G284	S278-K282 WeakPolarHBondContact O-CB 3.34Å; S278-K282 PolarHBondContact O-N 3.09Å; L279-K282 PolarHBondContact O-N 2.81Å; K282-G284 VanDerWaalsContact C-N 3.33Å
283	L	88.5	Confident	89.2	Confident	40 Å²	40	57.9 Å²	57.9	21%	0.209	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3.5	176.6	-69.6	174	0	0	0	113.3	L279 R280 S281 L285 P295 P322 A325	L279-L283 HydrophobicContact CD1-CD1 3.92Å; L279-L283 HydrophobicContact CD1-CG 4.2Å; L279-L283 HydrophobicContact CG-CD1 4.12Å; L279-L283 WeakPolarHBondContact O-CB 3.31Å; L279-L283 VanDerWaalsContact O-CG 3.29Å; L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 3.12Å; R280-L283 CarbonylContact O-C 3.59Å; R280-L283 PolarHBondContact O-N 3.18Å; S281-L283 VanDerWaalsContact C-N 3.26Å; S281-L283 PolarHBondContact O-N 2.98Å; L283-L285 VanDerWaalsContact C-N 3.34Å; L283-L285 HydrophobicContact CB-CD1 3.62Å; L283-L285 HydrophobicContact CB-CG 3.78Å; L283-L285 HydrophobicContact CD1-CD1 3.86Å; L283-L285 HydrophobicContact CG-CD1 4.41Å; L283-P295 HydrophobicContact CD1-CB 4.41Å; L283-P322 HydrophobicContact CB-CB 4.11Å; L283-P322 HydrophobicContact CB-CG 4.49Å; L283-P322 HydrophobicContact CD2-CB 4.34Å; L283-P322 HydrophobicContact CD2-CG 4.11Å; L283-P322 VanDerWaalsContact O-CB 3.28Å; L283-P322 WeakPolarHBondContact O-CB 3.45Å; L283-A325 HydrophobicContact CD1-CB 4.02Å
284	G	87.5	Confident	89.3	Confident	35 Å²	35	54.8 Å²	54.8	36%	0.361	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	33.2	-176.7	0	0	0	0	0	113.2	R280 S281 K282 Q505 G506	R280-G284 PolarHBondContact O-N 3.5Å; R280-G284 VanDerWaalsContact O-N 3.1Å; S281-G284 PolarHBondContact O-N 3.18Å; K282-G284 VanDerWaalsContact C-N 3.33Å; G284-Q505 WeakPolarHBondContact O-CA 3.33Å; G284-G506 PolarHBondContact O-N 3.17Å
285	L	91.2	Very high	89.5	Confident	12 Å²	12	51.6 Å²	51.6	6%	0.063	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131	-174.2	-65.1	171.1	0	0	0	112.3	R280 L283 P322 Q326 I503 I504 Q505	R280-L285 HydrophobicContact CB-CB 4.33Å; R280-L285 PolarHBondContact O-N 2.94Å; L283-L285 VanDerWaalsContact C-N 3.34Å; L283-L285 HydrophobicContact CB-CD1 3.62Å; L283-L285 HydrophobicContact CB-CG 3.78Å; L283-L285 HydrophobicContact CD1-CD1 3.86Å; L283-L285 HydrophobicContact CG-CD1 4.41Å; L285-P322 HydrophobicContact CD2-CB 4.1Å; L285-P322 HydrophobicContact CG-CB 4.33Å; L285-Q326 HydrophobicContact CD1-CB 3.78Å; L285-Q326 HydrophobicContact CD1-CG 4.46Å; L285-I503 HydrophobicContact CD2-CG2 4.05Å; L285-I504 CarbonylContact C-O 3.58Å; L285-I504 WeakPolarHBondContact CA-O 3.5Å; L285-Q505 HydrophobicContact CD2-CB 4.14Å; L285-Q505 HydrophobicContact CD2-CG 4.4Å
286	R	90.3	Very high	89.7	Confident	136 Å²	136	50.7 Å²	50.7	51%	0.513	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.2	163.8	-58.2	-178.2	-178.1	168.3	6.5	108.5	I504 E507	R286-I504 HydrophobicContact CB-CB 4.31Å; R286-I504 PolarHBondContact N-O 3.27Å; R286-I504 PolarHBondContact O-N 3.3Å; R286-E507 IonicContact CZ-OE1 3.37Å; R286-E507 IonicContact NH1-OE1 3.6Å; R286-E507 PolarHBondContact NH1-OE1 3.2Å; R286-E507 IonicContact NH2-OE1 3.23Å; R286-E507 PolarHBondContact NH2-OE1 3.17Å
287	V	92.2	Very high	89.5	Confident	34 Å²	34	53.7 Å²	53.7	21%	0.206	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.5	-176.6	-169.8	0	0	0	0	109.2	P292 Q326 V501 R502	V287-P292 HydrophobicContact CG1-CB 3.6Å; V287-P292 HydrophobicContact CG1-CG 4.49Å; V287-Q326 HydrophobicContact CG2-CG 3.78Å; V287-V501 HydrophobicContact CG1-CG1 3.72Å; V287-R502 WeakPolarHBondContact CA-O 3.38Å
288	S	90.5	Very high	89.6	Confident	54 Å²	54	51.8 Å²	51.8	38%	0.378	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	147	-178.6	55.7	0	0	0	0	110.3	R502	S288-R502 PolarHBondContact N-O 3.18Å; S288-R502 PolarHBondContact O-N 3.06Å
289	G	86.3	Confident	89.6	Confident	41 Å²	41	48.6 Å²	48.6	42%	0.423	28%	0.282	S	S	.	.	S	Bend	trans	125.1	172.4	-176.5	0	0	0	0	0	112
290	P	83.7	Confident	89.6	Confident	28 Å²	28	50.2 Å²	50.2	18%	0.182	30%	0.299	C	S	.	.	S	Bend	trans	-73.3	129.7	-173.1	24.9	-28.8	0	0	0	111.6	Y124 R335 D499	Y124-P290 HydrophobicContact CE1-CB 4.48Å; Y124-P290 WeakPolarHBondContact OH-CG 3.49Å; P290-R335 PolarHBondContact O-NH1 2.91Å; P290-R335 PolarHBondContact O-NH2 3.33Å; P290-D499 HydrophobicContact CG-CB 3.9Å
291	S	82.3	Confident	89.5	Confident	59 Å²	59	49.7 Å²	49.7	41%	0.413	30%	0.297	S	S	.	.	S	Bend	trans	46.4	68	177.4	-57	0	0	0	0	114.2	R335	S291-R335 PolarHBondContact O-NH1 3.48Å; S291-R335 VanDerWaalsContact O-NH1 3.11Å
292	P	84.3	Confident	89.6	Confident	50 Å²	50	45.7 Å²	45.7	33%	0.325	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-73.1	128.6	176.3	30.9	-33.2	0	0	0	110.8	V287 V501	V287-P292 HydrophobicContact CG1-CB 3.6Å; V287-P292 HydrophobicContact CG1-CG 4.49Å; P292-V501 HydrophobicContact CB-CG1 4.08Å
293	L	90.7	Very high	89.5	Confident	47 Å²	47	40.3 Å²	40.3	25%	0.246	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-69.6	162.9	174.9	-63.1	-177.5	0	0	0	112.1	Y262 R280 Q326 L330 A333	Y262-L293 HydrophobicContact CD1-CD1 3.76Å; Y262-L293 HydrophobicContact CE1-CD1 4.03Å; R280-L293 PolarHBondContact NH2-O 3.12Å; L293-Q326 PolarHBondContact O-NE2 2.79Å; L293-L330 HydrophobicContact CB-CD2 4.01Å; L293-L330 HydrophobicContact CB-CG 4.3Å; L293-L330 HydrophobicContact CD1-CD2 4.39Å; L293-L330 HydrophobicContact CG-CD2 3.98Å; L293-A333 HydrophobicContact CD1-CB 3.4Å; L293-A333 VanDerWaalsContact CD1-CB 3.4Å
294	R	92.8	Very high	89.6	Confident	45 Å²	45	39.4 Å²	39.4	17%	0.17	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-74.7	141.7	178	-61.6	178.4	170.7	-175.2	-4.2	110.5	E264 I268 S269 L271 E273 V276	E264-R294 WeakPolarHBondContact OE1-CD 3.37Å; I268-R294 HydrophobicContact CG2-CB 3.46Å; I268-R294 VanDerWaalsContact CG2-CB 3.46Å; I268-R294 HydrophobicContact CG2-CG 4.45Å; I268-R294 WeakPolarHBondContact O-CD 3.5Å; I268-R294 PolarHBondContact O-NH1 2.97Å; S269-R294 VanDerWaalsContact C-NH1 3.3Å; S269-R294 PolarHBondContact O-NH1 2.86Å; L271-R294 PolarHBondContact O-NH1 3.09Å; L271-R294 PolarHBondContact O-NH2 3.46Å; L271-R294 VanDerWaalsContact O-NH2 3.1Å; E273-R294 IonicContact OE1-CZ 3.5Å; E273-R294 IonicContact OE1-NE 2.9Å; E273-R294 IonicContact OE1-NH2 2.65Å; E273-R294 PolarHBondContact OE1-NH2 2.77Å; V276-R294 HydrophobicContact CG1-CG 4.21Å; V276-R294 HydrophobicContact CG2-CB 4.37Å; V276-R294 HydrophobicContact CG2-CG 3.82Å
295	P	93.2	Very high	89.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-76.5	148	178.3	30.9	-32.6	0	0	0	111.6	L279 R280 L283 A325 Q326	L279-P295 HydrophobicContact CD2-CG 3.87Å; L279-P295 HydrophobicContact CG-CG 4.01Å; R280-P295 HydrophobicContact CG-CG 3.97Å; L283-P295 HydrophobicContact CD1-CB 4.41Å; P295-A325 CarbonylContact C-O 3.58Å; P295-A325 VanDerWaalsContact CA-O 3.31Å; P295-A325 WeakPolarHBondContact CA-O 3.45Å; P295-Q326 HydrophobicContact CB-CB 4.21Å
296	V	93.2	Very high	89.9	Confident	1 Å²	1	47 Å²	47	1%	0.006	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-92.2	145.1	176.8	-61.9	0	0	0	0	113.1	I268 H301 L302 A325 P329	I268-V296 HydrophobicContact CG1-CG1 4.4Å; V296-H301 HydrophobicContact CB-CB 3.9Å; V296-H301 HydrophobicContact CG1-CB 3.73Å; V296-L302 HydrophobicContact CB-CD2 4.42Å; V296-L302 HydrophobicContact CG1-CD2 4.03Å; V296-L302 HydrophobicContact CG2-CD2 3.6Å; V296-L302 HydrophobicContact CG2-CG 4.01Å; V296-A325 WeakPolarHBondContact CG2-O 3.49Å; V296-A325 PolarHBondContact N-O 2.89Å; V296-A325 WeakPolarHBondContact O-CB 3.3Å; V296-P329 HydrophobicContact CG1-CG 4.4Å
297	C	87.9	Confident	90	Very high	62 Å²	62	43.1 Å²	43.1	42%	0.419	28%	0.28	S	S	.	.	S	Bend	trans	-90.8	-19.6	175.6	-59.5	0	0	0	0	114.1	L279	L279-C297 WeakPolarHBondContact CD2-SG 3.47Å
298	S	91.9	Very high	90	Very high	45 Å²	45	41.5 Å²	41.5	32%	0.315	27%	0.27	S	S	.	.	S	Bend	trans	-145.1	152.4	-170	178.5	0	0	0	0	110.7	A300 H301	S298-A300 PolarHBondContact O-N 3.48Å; S298-A300 PolarHBondContact OG-N 2.76Å; S298-H301 PolarHBondContact O-N 2.77Å
299	F	92.1	Very high	90.1	Very high	11 Å²	11	41.5 Å²	41.5	5%	0.048	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-61.8	-29	173.9	-62.8	-56.7	0	0	0	112.8	H301 L302 M309 I312 Y317 Q319 P320 W353	F299-H301 PolarHBondContact O-N 3.03Å; F299-L302 HydrophobicContact CD1-CD1 4.1Å; F299-L302 WeakPolarHBondContact O-CB 3.41Å; F299-L302 PolarHBondContact O-N 3.23Å; F299-M309 HydrophobicContact CB-CE 3.94Å; F299-M309 HydrophobicContact CB-SD 3.95Å; F299-I312 HydrophobicContact CD1-CG2 4.4Å; F299-I312 HydrophobicContact CD2-CG2 3.94Å; F299-I312 HydrophobicContact CE1-CG2 4.36Å; F299-I312 HydrophobicContact CE2-CG2 3.87Å; F299-I312 HydrophobicContact CG-CG2 4.21Å; F299-I312 HydrophobicContact CZ-CG2 4.09Å; F299-Y317 HydrophobicContact CZ-CG 4.47Å; F299-Q319 VanDerWaalsContact CE2-C 3.41Å; F299-Q319 VanDerWaalsContact CZ-O 3.29Å; F299-Q319 WeakPolarHBondContact CZ-O 3.46Å; F299-P320 HydrophobicContact CD1-CB 4.16Å; F299-P320 HydrophobicContact CE1-CB 3.71Å; F299-P320 HydrophobicContact CE1-CG 4.42Å; F299-P320 HydrophobicContact CZ-CB 4.27Å; F299-P320 VanDerWaalsContact CZ-N 3.29Å; F299-W353 HydrophobicContact CD1-CH2 4.3Å; F299-W353 HydrophobicContact CD1-CZ3 4.17Å; F299-W353 AromaticContact CE1-CH2 3.44Å; F299-W353 HydrophobicContact CE1-CH2 3.44Å; F299-W353 VanDerWaalsContact CE1-CH2 3.44Å; F299-W353 HydrophobicContact CE1-CZ2 4.48Å; F299-W353 AromaticContact CE1-CZ3 3.58Å; F299-W353 HydrophobicContact CE1-CZ3 3.58Å; F299-W353 AromaticContact CZ-CH2 3.97Å; F299-W353 HydrophobicContact CZ-CH2 3.97Å
300	A	90.7	Very high	90.4	Very high	59 Å²	59	41.7 Å²	41.7	49%	0.488	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-61.1	-27.4	176.7	0	0	0	0	0	113.1	S298 L302	S298-A300 PolarHBondContact O-N 3.48Å; S298-A300 PolarHBondContact OG-N 2.76Å; A300-L302 PolarHBondContact O-N 2.7Å
301	H	91.5	Very high	90.8	Very high	15 Å²	15	41.3 Å²	41.3	7%	0.069	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-79.3	-6.5	-176.8	-54.5	-177.2	0	0	0	112.8	H265 E267 I268 V296 S298 F299	H265-H301 HydrophobicContact CB-CB 3.85Å; H265-H301 AromaticContact CE1-CD2 3.97Å; H265-H301 AromaticContact ND1-CD2 3.63Å; H265-H301 AromaticContact ND1-CG 3.92Å; E267-H301 IonicContact OE2-CE1 2.7Å; E267-H301 PolarHBondContact OE2-CE1 3.27Å; E267-H301 IonicContact OE2-NE2 3.8Å; E267-H301 PolarHBondContact OE2-NE2 3.34Å; I268-H301 WeakPolarHBondContact CD1-ND1 3.42Å; I268-H301 HydrophobicContact CG1-CB 4.22Å; V296-H301 HydrophobicContact CB-CB 3.9Å; V296-H301 HydrophobicContact CG1-CB 3.73Å; S298-H301 PolarHBondContact O-N 2.77Å; F299-H301 PolarHBondContact O-N 3.03Å
302	L	90.6	Very high	91.2	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-87.3	-10.1	-178.4	-66.5	171.9	0	0	0	113.2	V296 F299 A300 L304 V328 L332	V296-L302 HydrophobicContact CB-CD2 4.42Å; V296-L302 HydrophobicContact CG1-CD2 4.03Å; V296-L302 HydrophobicContact CG2-CD2 3.6Å; V296-L302 HydrophobicContact CG2-CG 4.01Å; F299-L302 HydrophobicContact CD1-CD1 4.1Å; F299-L302 WeakPolarHBondContact O-CB 3.41Å; F299-L302 PolarHBondContact O-N 3.23Å; A300-L302 PolarHBondContact O-N 2.7Å; L302-L304 HydrophobicContact CB-CD1 4.26Å; L302-L304 HydrophobicContact CB-CD2 3.92Å; L302-L304 HydrophobicContact CB-CG 3.7Å; L302-L304 HydrophobicContact CD1-CD1 4.02Å; L302-L304 HydrophobicContact CD1-CG 4.37Å; L302-L304 PolarHBondContact O-N 2.78Å; L302-V328 HydrophobicContact CD1-CB 4.46Å; L302-V328 HydrophobicContact CD1-CG1 3.89Å; L302-V328 HydrophobicContact CD2-CB 3.89Å; L302-V328 HydrophobicContact CD2-CG1 3.59Å; L302-V328 HydrophobicContact CG-CG1 4.3Å; L302-L332 HydrophobicContact CD2-CD1 4.44Å
303	G	87.7	Confident	91.5	Very high	67 Å²	67	44 Å²	44	69%	0.691	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	24.3	-177.9	0	0	0	0	0	114.4
304	L	90.9	Very high	91.5	Very high	20 Å²	20	49 Å²	49	11%	0.105	27%	0.268	C	S	.	.			trans	-67.8	148.6	178.8	-50.1	-179.7	0	0	0	110.8	L302 L308 M309 I312 L332 I357	L302-L304 HydrophobicContact CB-CD1 4.26Å; L302-L304 HydrophobicContact CB-CD2 3.92Å; L302-L304 HydrophobicContact CB-CG 3.7Å; L302-L304 HydrophobicContact CD1-CD1 4.02Å; L302-L304 HydrophobicContact CD1-CG 4.37Å; L302-L304 PolarHBondContact O-N 2.78Å; L304-L308 HydrophobicContact CB-CD2 4.2Å; L304-L308 HydrophobicContact CB-CG 4.46Å; L304-L308 HydrophobicContact CD1-CD2 4.13Å; L304-L308 HydrophobicContact CD1-CG 4.24Å; L304-L308 HydrophobicContact CD2-CD2 4.02Å; L304-L308 HydrophobicContact CG-CD2 4.32Å; L304-M309 HydrophobicContact CB-CG 3.95Å; L304-M309 HydrophobicContact CB-SD 4.03Å; L304-M309 HydrophobicContact CD1-SD 4.11Å; L304-M309 HydrophobicContact CG-SD 4.47Å; L304-I312 HydrophobicContact CD1-CD1 3.44Å; L304-I312 VanDerWaalsContact CD1-CD1 3.44Å; L304-L332 HydrophobicContact CD2-CD1 4.28Å; L304-I357 HydrophobicContact CD2-CD1 3.41Å; L304-I357 VanDerWaalsContact CD2-CD1 3.41Å
305	D	91.8	Very high	91.2	Very high	60 Å²	60	50 Å²	50	32%	0.321	29%	0.286	S	S	.	.			trans	-74.7	155.3	177.1	64.7	-39.9	0	0	0	112.5	P307 L308 M309 Y397	D305-P307 VanDerWaalsContact C-CD 3.41Å; D305-P307 WeakPolarHBondContact OD2-CD 3.39Å; D305-L308 PolarHBondContact O-N 2.95Å; D305-L308 VanDerWaalsContact OD1-CB 3.26Å; D305-L308 WeakPolarHBondContact OD1-CB 3.31Å; D305-M309 PolarHBondContact O-N 3.45Å; D305-Y397 PolarHBondContact OD1-OH 3.23Å; D305-Y397 VanDerWaalsContact OD2-CE1 3.26Å; D305-Y397 WeakPolarHBondContact OD2-CE1 3.49Å; D305-Y397 PolarHBondContact OD2-OH 2.99Å
306	E	92.8	Very high	90.9	Very high	146 Å²	146	52.7 Å²	52.7	68%	0.682	31%	0.314	S	S	*	.	H	α-helix	trans	-53.5	-41	-175.2	-171.6	62.4	-157.1	0	0	114.2	L308 M309 E310	E306-L308 VanDerWaalsContact C-N 3.34Å; E306-L308 PolarHBondContact O-N 3.08Å; E306-M309 PolarHBondContact O-N 3.05Å; E306-E310 WeakPolarHBondContact O-CB 3.43Å; E306-E310 PolarHBondContact O-N 3.37Å
307	P	93	Very high	90.6	Very high	55 Å²	55	57 Å²	57	36%	0.357	33%	0.331	S	S	.	.	H	α-helix	trans	-63.9	-34.3	177.1	-16.5	28.8	0	0	0	113.7	D305 A311 V396	D305-P307 VanDerWaalsContact C-CD 3.41Å; D305-P307 WeakPolarHBondContact OD2-CD 3.39Å; P307-A311 WeakPolarHBondContact O-CB 3.4Å; P307-A311 PolarHBondContact O-N 2.87Å; P307-A311 VanDerWaalsContact O-N 3.09Å; P307-V396 HydrophobicContact CB-CG1 3.43Å; P307-V396 VanDerWaalsContact CB-CG1 3.43Å
308	L	92.2	Very high	90.6	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-75.2	-43.8	175.9	-174.5	52.9	0	0	0	111.1	L304 D305 E306 E310 A311 I312 W353 I357 L393 Y397	L304-L308 HydrophobicContact CB-CD2 4.2Å; L304-L308 HydrophobicContact CB-CG 4.46Å; L304-L308 HydrophobicContact CD1-CD2 4.13Å; L304-L308 HydrophobicContact CD1-CG 4.24Å; L304-L308 HydrophobicContact CD2-CD2 4.02Å; L304-L308 HydrophobicContact CG-CD2 4.32Å; D305-L308 PolarHBondContact O-N 2.95Å; D305-L308 VanDerWaalsContact OD1-CB 3.26Å; D305-L308 WeakPolarHBondContact OD1-CB 3.31Å; E306-L308 VanDerWaalsContact C-N 3.34Å; E306-L308 PolarHBondContact O-N 3.08Å; L308-E310 VanDerWaalsContact C-N 3.3Å; L308-E310 PolarHBondContact O-N 3Å; L308-A311 WeakPolarHBondContact O-CB 3.04Å; L308-A311 PolarHBondContact O-N 3.09Å; L308-A311 VanDerWaalsContact O-N 3.1Å; L308-I312 HydrophobicContact CD1-CD1 4.48Å; L308-I312 HydrophobicContact CG-CD1 4.17Å; L308-I312 VanDerWaalsContact O-CG1 3.29Å; L308-I312 WeakPolarHBondContact O-CG1 3.46Å; L308-I312 PolarHBondContact O-N 2.86Å; L308-W353 HydrophobicContact CD1-CG 4.42Å; L308-W353 HydrophobicContact CD2-CB 4.21Å; L308-I357 HydrophobicContact CD2-CD1 4.07Å; L308-I357 HydrophobicContact CD2-CG1 4.28Å; L308-L393 HydrophobicContact CD1-CD2 4.1Å; L308-Y397 WeakPolarHBondContact CB-OH 3.42Å; L308-Y397 PolarHBondContact N-OH 3.24Å; L308-Y397 VanDerWaalsContact N-OH 3.08Å
309	M	92.9	Very high	90.5	Very high	53 Å²	53	64.9 Å²	64.9	26%	0.261	37%	0.365	S	S	.	.	H	α-helix	trans	-57.7	-42.9	173.5	-73.8	-65.4	-72.5	0	0	111.7	F299 L304 D305 E306 A311 I312 R313	F299-M309 HydrophobicContact CB-CE 3.94Å; F299-M309 HydrophobicContact CB-SD 3.95Å; L304-M309 HydrophobicContact CB-CG 3.95Å; L304-M309 HydrophobicContact CB-SD 4.03Å; L304-M309 HydrophobicContact CD1-SD 4.11Å; L304-M309 HydrophobicContact CG-SD 4.47Å; D305-M309 PolarHBondContact O-N 3.45Å; E306-M309 PolarHBondContact O-N 3.05Å; M309-A311 PolarHBondContact O-N 3.38Å; M309-I312 PolarHBondContact O-N 2.91Å; M309-R313 WeakPolarHBondContact O-CB 3.45Å; M309-R313 PolarHBondContact O-N 2.84Å
310	E	92.7	Very high	90.5	Very high	46 Å²	46	65 Å²	65	22%	0.215	37%	0.368	C	S	.	.	H	α-helix	trans	-66.4	-34.7	175.5	174.8	58.6	-170.8	0	0	112.4	E306 L308 R313 K314	E306-E310 WeakPolarHBondContact O-CB 3.43Å; E306-E310 PolarHBondContact O-N 3.37Å; L308-E310 VanDerWaalsContact C-N 3.3Å; L308-E310 PolarHBondContact O-N 3Å; E310-R313 IonicContact OE1-CZ 2.77Å; E310-R313 IonicContact OE1-NH2 3.7Å; E310-R313 PolarHBondContact OE1-NH2 3.28Å; E310-R313 IonicContact OE2-CZ 3.85Å; E310-R313 IonicContact OE2-NE 3.61Å; E310-R313 PolarHBondContact OE2-NE 2.81Å; E310-R313 IonicContact OE2-NH2 2.77Å; E310-R313 PolarHBondContact OE2-NH2 3.27Å; E310-K314 HydrophobicContact CG-CD 4.37Å; E310-K314 VanDerWaalsContact CG-NZ 3.29Å; E310-K314 VanDerWaalsContact O-CB 3.3Å; E310-K314 WeakPolarHBondContact O-CB 3.42Å; E310-K314 VanDerWaalsContact O-CG 3.27Å; E310-K314 WeakPolarHBondContact O-CG 3.49Å; E310-K314 PolarHBondContact O-N 2.94Å; E310-K314 WeakPolarHBondContact OE1-CE 3.36Å; E310-K314 IonicContact OE1-NZ 3.36Å; E310-K314 PolarHBondContact OE1-NZ 2.8Å
311	A	91	Very high	90.5	Very high	19 Å²	19	64 Å²	64	16%	0.157	36%	0.356	C	S	.	.	H	α-helix	trans	-68.3	-41.3	173	0	0	0	0	0	112.2	P307 L308 M309 K314 A315 L393	P307-A311 WeakPolarHBondContact O-CB 3.4Å; P307-A311 PolarHBondContact O-N 2.87Å; P307-A311 VanDerWaalsContact O-N 3.09Å; L308-A311 WeakPolarHBondContact O-CB 3.04Å; L308-A311 PolarHBondContact O-N 3.09Å; L308-A311 VanDerWaalsContact O-N 3.1Å; M309-A311 PolarHBondContact O-N 3.38Å; A311-K314 PolarHBondContact O-N 3.32Å; A311-A315 WeakPolarHBondContact O-CB 3.27Å; A311-A315 PolarHBondContact O-N 2.71Å; A311-L393 HydrophobicContact CB-CD2 3.93Å
312	I	91.1	Very high	90.5	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.015	36%	0.362	C	S	.	.	H	α-helix	trans	-61.2	-46.6	174.6	-70	169.9	0	0	0	110.4	F299 L304 L308 M309 A315 G316 Y317 W353	F299-I312 HydrophobicContact CD1-CG2 4.4Å; F299-I312 HydrophobicContact CD2-CG2 3.94Å; F299-I312 HydrophobicContact CE1-CG2 4.36Å; F299-I312 HydrophobicContact CE2-CG2 3.87Å; F299-I312 HydrophobicContact CG-CG2 4.21Å; F299-I312 HydrophobicContact CZ-CG2 4.09Å; L304-I312 HydrophobicContact CD1-CD1 3.44Å; L304-I312 VanDerWaalsContact CD1-CD1 3.44Å; L308-I312 HydrophobicContact CD1-CD1 4.48Å; L308-I312 HydrophobicContact CG-CD1 4.17Å; L308-I312 VanDerWaalsContact O-CG1 3.29Å; L308-I312 WeakPolarHBondContact O-CG1 3.46Å; L308-I312 PolarHBondContact O-N 2.86Å; M309-I312 PolarHBondContact O-N 2.91Å; I312-A315 PolarHBondContact O-N 2.93Å; I312-G316 PolarHBondContact O-N 3.46Å; I312-Y317 HydrophobicContact CG2-CD2 4.16Å; I312-Y317 HydrophobicContact CG2-CG 4.39Å; I312-Y317 PolarHBondContact O-N 3.36Å; I312-W353 HydrophobicContact CD1-CD2 3.88Å; I312-W353 HydrophobicContact CD1-CE3 4.36Å; I312-W353 HydrophobicContact CD1-CG 4.22Å; I312-W353 HydrophobicContact CD1-CH2 4.49Å; I312-W353 HydrophobicContact CD1-CZ2 4.01Å; I312-W353 HydrophobicContact CG1-CD2 4.32Å; I312-W353 HydrophobicContact CG1-CZ2 3.78Å; I312-W353 HydrophobicContact CG2-CZ2 4.33Å
313	R	90.7	Very high	90.6	Very high	162 Å²	162	64.5 Å²	64.5	61%	0.611	36%	0.36	S	S	*	.	H	α-helix	trans	-62.3	-43.4	176.4	-167.2	-175.3	71	82.6	1.3	112.2	M309 E310 A315 G316	M309-R313 WeakPolarHBondContact O-CB 3.45Å; M309-R313 PolarHBondContact O-N 2.84Å; E310-R313 IonicContact OE1-CZ 2.77Å; E310-R313 IonicContact OE1-NH2 3.7Å; E310-R313 PolarHBondContact OE1-NH2 3.28Å; E310-R313 IonicContact OE2-CZ 3.85Å; E310-R313 IonicContact OE2-NE 3.61Å; E310-R313 PolarHBondContact OE2-NE 2.81Å; E310-R313 IonicContact OE2-NH2 2.77Å; E310-R313 PolarHBondContact OE2-NH2 3.27Å; R313-A315 VanDerWaalsContact C-N 3.29Å; R313-A315 PolarHBondContact O-N 2.85Å; R313-G316 PolarHBondContact O-N 3.48Å; R313-G316 VanDerWaalsContact O-N 3.08Å
314	K	90.6	Very high	91	Very high	153 Å²	153	61.4 Å²	61.4	67%	0.665	33%	0.328	S	S	*	.	H	α-helix	trans	-64	-29.8	174.8	-82	174.7	166.8	114.5	0	113.5	E310 A311 G316	E310-K314 HydrophobicContact CG-CD 4.37Å; E310-K314 VanDerWaalsContact CG-NZ 3.29Å; E310-K314 VanDerWaalsContact O-CB 3.3Å; E310-K314 WeakPolarHBondContact O-CB 3.42Å; E310-K314 VanDerWaalsContact O-CG 3.27Å; E310-K314 WeakPolarHBondContact O-CG 3.49Å; E310-K314 PolarHBondContact O-N 2.94Å; E310-K314 WeakPolarHBondContact OE1-CE 3.36Å; E310-K314 IonicContact OE1-NZ 3.36Å; E310-K314 PolarHBondContact OE1-NZ 2.8Å; A311-K314 PolarHBondContact O-N 3.32Å; K314-G316 PolarHBondContact O-N 3.35Å
315	A	86.1	Confident	91.2	Very high	66 Å²	66	60.5 Å²	60.5	55%	0.545	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-6	174	0	0	0	0	0	113.5	A311 I312 R313 Y317	A311-A315 WeakPolarHBondContact O-CB 3.27Å; A311-A315 PolarHBondContact O-N 2.71Å; I312-A315 PolarHBondContact O-N 2.93Å; R313-A315 VanDerWaalsContact C-N 3.29Å; R313-A315 PolarHBondContact O-N 2.85Å; A315-Y317 HydrophobicContact CB-CD2 3.68Å; A315-Y317 HydrophobicContact CB-CE2 3.63Å
316	G	87.4	Confident	91.3	Very high	57 Å²	57	57.6 Å²	57.6	59%	0.588	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	11.3	176.8	0	0	0	0	0	114.8	I312 R313 K314 T318	I312-G316 PolarHBondContact O-N 3.46Å; R313-G316 PolarHBondContact O-N 3.48Å; R313-G316 VanDerWaalsContact O-N 3.08Å; K314-G316 PolarHBondContact O-N 3.35Å; G316-T318 PolarHBondContact O-N 2.84Å
317	Y	86.9	Confident	91.4	Very high	91 Å²	91	50.7 Å²	50.7	36%	0.357	28%	0.275	S	S	.	.			trans	-73.6	125.3	175.1	-64	-68.3	0	0	0	110.8	F299 I312 A315 W353	F299-Y317 HydrophobicContact CZ-CG 4.47Å; I312-Y317 HydrophobicContact CG2-CD2 4.16Å; I312-Y317 HydrophobicContact CG2-CG 4.39Å; I312-Y317 PolarHBondContact O-N 3.36Å; A315-Y317 HydrophobicContact CB-CD2 3.68Å; A315-Y317 HydrophobicContact CB-CE2 3.63Å; Y317-W353 AromaticContact CD2-CZ2 3.97Å; Y317-W353 HydrophobicContact CD2-CZ2 3.97Å; Y317-W353 HydrophobicContact CE2-CZ2 4.02Å; Y317-W353 HydrophobicContact CG-CZ2 4.49Å
318	T	87.5	Confident	91.6	Very high	130 Å²	130	48 Å²	48	80%	0.798	26%	0.258	S	S	*	.			trans	-101.1	-36.5	179.4	52.1	0	0	0	0	113.2	G316	G316-T318 PolarHBondContact O-N 2.84Å
319	Q	89.9	Confident	91.7	Very high	142 Å²	142	48 Å²	48	66%	0.664	26%	0.258	S	S	*	.	S	Bend	trans	-143.3	153.3	177.1	-69.9	-176	-3.5	0	0	110.2	F299	F299-Q319 VanDerWaalsContact CE2-C 3.41Å; F299-Q319 VanDerWaalsContact CZ-O 3.29Å; F299-Q319 WeakPolarHBondContact CZ-O 3.46Å
320	P	92.2	Very high	91.9	Very high	15 Å²	15	45.5 Å²	45.5	10%	0.097	25%	0.246	C	C	.	.			trans	-64.5	134.9	173.6	26.7	-33.8	0	0	0	110.7	F299 Q324 A325	F299-P320 HydrophobicContact CD1-CB 4.16Å; F299-P320 HydrophobicContact CE1-CB 3.71Å; F299-P320 HydrophobicContact CE1-CG 4.42Å; F299-P320 HydrophobicContact CZ-CB 4.27Å; F299-P320 VanDerWaalsContact CZ-N 3.29Å; P320-Q324 HydrophobicContact CB-CB 4.15Å; P320-A325 HydrophobicContact CB-CB 4.39Å; P320-A325 HydrophobicContact CG-CB 4.5Å
321	T	91.7	Very high	92	Very high	38 Å²	38	43.3 Å²	43.3	23%	0.233	24%	0.236	C	C	.	.			trans	-63	157.4	167.9	58.4	0	0	0	0	110.6	I323 Q324 A325 S345	T321-I323 VanDerWaalsContact C-N 3.29Å; T321-I323 PolarHBondContact O-N 2.92Å; T321-Q324 WeakPolarHBondContact O-CA 3.41Å; T321-Q324 WeakPolarHBondContact O-CB 3.38Å; T321-Q324 PolarHBondContact O-N 3.35Å; T321-Q324 WeakPolarHBondContact OG1-CB 3.34Å; T321-Q324 WeakPolarHBondContact OG1-CG 3.42Å; T321-Q324 PolarHBondContact OG1-OE1 2.83Å; T321-A325 WeakPolarHBondContact O-CB 3.22Å; T321-A325 PolarHBondContact O-N 3.18Å; T321-S345 VanDerWaalsContact CB-O 3.23Å; T321-S345 WeakPolarHBondContact CB-O 3.32Å; T321-S345 WeakPolarHBondContact CG2-O 3.26Å; T321-S345 PolarHBondContact OG1-O 3.09Å
322	P	91.8	Very high	92.3	Very high	31 Å²	31	42.6 Å²	42.6	20%	0.201	23%	0.229	C	C	.	.	H	α-helix	trans	-52.8	-41.1	-179.1	-31.4	37.3	0	0	0	114.9	L283 L285 A325 Q326 Q505	L283-P322 HydrophobicContact CB-CB 4.11Å; L283-P322 HydrophobicContact CB-CG 4.49Å; L283-P322 HydrophobicContact CD2-CB 4.34Å; L283-P322 HydrophobicContact CD2-CG 4.11Å; L283-P322 VanDerWaalsContact O-CB 3.28Å; L283-P322 WeakPolarHBondContact O-CB 3.45Å; L285-P322 HydrophobicContact CD2-CB 4.1Å; L285-P322 HydrophobicContact CG-CB 4.33Å; P322-A325 PolarHBondContact O-N 2.85Å; P322-Q326 PolarHBondContact O-N 3.13Å; P322-Q505 HydrophobicContact CB-CG 4.12Å
323	I	92.5	Very high	92.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.1	-36.9	177.6	-163	63.7	0	0	0	111.6	T321 A327 S345 K347 I503	T321-I323 VanDerWaalsContact C-N 3.29Å; T321-I323 PolarHBondContact O-N 2.92Å; I323-A327 WeakPolarHBondContact O-CB 3.31Å; I323-A327 PolarHBondContact O-N 3Å; I323-S345 WeakPolarHBondContact CG2-O 3.47Å; I323-K347 HydrophobicContact CG1-CG 4.18Å; I323-K347 HydrophobicContact CG2-CG 4.17Å; I323-I503 HydrophobicContact CD1-CB 4.23Å; I323-I503 HydrophobicContact CD1-CG2 3.79Å
324	Q	94.8	Very high	92.6	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-67.3	-43.8	174.6	-71.2	159.7	-10.2	0	0	111.5	P320 T321 Q326 A327 V328 G346 A350 W353	P320-Q324 HydrophobicContact CB-CB 4.15Å; T321-Q324 WeakPolarHBondContact O-CA 3.41Å; T321-Q324 WeakPolarHBondContact O-CB 3.38Å; T321-Q324 PolarHBondContact O-N 3.35Å; T321-Q324 WeakPolarHBondContact OG1-CB 3.34Å; T321-Q324 WeakPolarHBondContact OG1-CG 3.42Å; T321-Q324 PolarHBondContact OG1-OE1 2.83Å; Q324-Q326 PolarHBondContact O-N 3.12Å; Q324-Q326 VanDerWaalsContact O-N 3.17Å; Q324-A327 PolarHBondContact O-N 3.27Å; Q324-V328 HydrophobicContact CB-CG2 4.03Å; Q324-V328 HydrophobicContact CG-CG2 4.45Å; Q324-V328 VanDerWaalsContact O-CB 3.31Å; Q324-V328 WeakPolarHBondContact O-CB 3.48Å; Q324-V328 WeakPolarHBondContact O-CG2 3.18Å; Q324-V328 PolarHBondContact O-N 3.38Å; Q324-G346 PolarHBondContact NE2-O 3.44Å; Q324-A350 HydrophobicContact CB-CB 4.45Å; Q324-A350 HydrophobicContact CG-CB 3.72Å; Q324-W353 HydrophobicContact CB-CZ3 4.38Å; Q324-W353 HydrophobicContact CG-CZ3 4.09Å
325	A	94.7	Very high	92.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-52.8	-37.5	-179.8	0	0	0	0	0	112.9	L283 P295 V296 P320 T321 P322 P329	L283-A325 HydrophobicContact CD1-CB 4.02Å; P295-A325 CarbonylContact C-O 3.58Å; P295-A325 VanDerWaalsContact CA-O 3.31Å; P295-A325 WeakPolarHBondContact CA-O 3.45Å; V296-A325 WeakPolarHBondContact CG2-O 3.49Å; V296-A325 PolarHBondContact N-O 2.89Å; V296-A325 WeakPolarHBondContact O-CB 3.3Å; P320-A325 HydrophobicContact CB-CB 4.39Å; P320-A325 HydrophobicContact CG-CB 4.5Å; T321-A325 WeakPolarHBondContact O-CB 3.22Å; T321-A325 PolarHBondContact O-N 3.18Å; P322-A325 PolarHBondContact O-N 2.85Å; A325-P329 WeakPolarHBondContact O-CD 3.39Å; A325-P329 WeakPolarHBondContact O-CG 3.27Å
326	Q	94.9	Very high	93.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-98.7	-35.2	179.2	-174.5	61.8	90.8	0	0	113.7	L285 V287 L293 P295 P322 Q324 L330 I503	L285-Q326 HydrophobicContact CD1-CB 3.78Å; L285-Q326 HydrophobicContact CD1-CG 4.46Å; V287-Q326 HydrophobicContact CG2-CG 3.78Å; L293-Q326 PolarHBondContact O-NE2 2.79Å; P295-Q326 HydrophobicContact CB-CB 4.21Å; P322-Q326 PolarHBondContact O-N 3.13Å; Q324-Q326 PolarHBondContact O-N 3.12Å; Q324-Q326 VanDerWaalsContact O-N 3.17Å; Q326-L330 HydrophobicContact CG-CD1 4.35Å; Q326-L330 WeakPolarHBondContact O-CD1 3.35Å; Q326-I503 HydrophobicContact CB-CD1 4.41Å; Q326-I503 HydrophobicContact CB-CG2 4.16Å; Q326-I503 HydrophobicContact CG-CD1 4Å; Q326-I503 HydrophobicContact CG-CG1 4.07Å; Q326-I503 HydrophobicContact CG-CG2 3.9Å
327	A	96	Very high	93.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-78.2	-42.8	-176.1	0	0	0	0	0	113	I323 Q324 L330 I331 A350 I503	I323-A327 WeakPolarHBondContact O-CB 3.31Å; I323-A327 PolarHBondContact O-N 3Å; Q324-A327 PolarHBondContact O-N 3.27Å; A327-L330 WeakPolarHBondContact O-CB 3.33Å; A327-L330 PolarHBondContact O-N 3.06Å; A327-I331 HydrophobicContact CB-CD1 4.07Å; A327-I331 WeakPolarHBondContact O-CB 3.16Å; A327-I331 WeakPolarHBondContact O-CD1 3.32Å; A327-I331 WeakPolarHBondContact O-CG1 3.39Å; A327-I331 PolarHBondContact O-N 2.54Å; A327-A350 HydrophobicContact CB-CB 4.45Å; A327-I503 HydrophobicContact CB-CD1 3.63Å
328	V	96	Very high	94.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58	-47.6	-176.1	-176.2	0	0	0	0	112.7	L302 Q324 L330 I331 L332 A350 W353 P354	L302-V328 HydrophobicContact CD1-CB 4.46Å; L302-V328 HydrophobicContact CD1-CG1 3.89Å; L302-V328 HydrophobicContact CD2-CB 3.89Å; L302-V328 HydrophobicContact CD2-CG1 3.59Å; L302-V328 HydrophobicContact CG-CG1 4.3Å; Q324-V328 HydrophobicContact CB-CG2 4.03Å; Q324-V328 HydrophobicContact CG-CG2 4.45Å; Q324-V328 VanDerWaalsContact O-CB 3.31Å; Q324-V328 WeakPolarHBondContact O-CB 3.48Å; Q324-V328 WeakPolarHBondContact O-CG2 3.18Å; Q324-V328 PolarHBondContact O-N 3.38Å; V328-L330 PolarHBondContact O-N 3.47Å; V328-I331 PolarHBondContact O-N 2.73Å; V328-L332 HydrophobicContact CG1-CD1 3.92Å; V328-L332 HydrophobicContact CG1-CG 4.32Å; V328-L332 WeakPolarHBondContact O-CB 3.38Å; V328-L332 WeakPolarHBondContact O-CG 3.29Å; V328-L332 PolarHBondContact O-N 2.84Å; V328-A350 HydrophobicContact CG2-CB 4.13Å; V328-W353 HydrophobicContact CG2-CE3 4.13Å; V328-W353 HydrophobicContact CG2-CZ3 4.46Å; V328-P354 HydrophobicContact CG1-CG 3.9Å
329	P	95.3	Very high	94.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.6	-37.6	176.4	25.2	-34.7	0	0	0	113	Y262 V296 A325 I331 L332 A333	Y262-P329 HydrophobicContact CD1-CB 4.46Å; Y262-P329 HydrophobicContact CD2-CB 4.04Å; Y262-P329 HydrophobicContact CE1-CB 4.03Å; Y262-P329 HydrophobicContact CE2-CB 3.58Å; Y262-P329 HydrophobicContact CG-CB 4.45Å; V296-P329 HydrophobicContact CG1-CG 4.4Å; A325-P329 WeakPolarHBondContact O-CD 3.39Å; A325-P329 WeakPolarHBondContact O-CG 3.27Å; P329-I331 VanDerWaalsContact C-N 3.32Å; P329-I331 PolarHBondContact O-N 3.48Å; P329-L332 PolarHBondContact O-N 3.29Å; P329-A333 WeakPolarHBondContact O-CB 3.49Å; P329-A333 PolarHBondContact O-N 3Å
330	L	95.4	Very high	94.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.1	-39.3	174.7	-80	167.4	0	0	0	112.4	L293 Q326 A327 V328 A333 R335 V337 V501 I503	L293-L330 HydrophobicContact CB-CD2 4.01Å; L293-L330 HydrophobicContact CB-CG 4.3Å; L293-L330 HydrophobicContact CD1-CD2 4.39Å; L293-L330 HydrophobicContact CG-CD2 3.98Å; Q326-L330 HydrophobicContact CG-CD1 4.35Å; Q326-L330 WeakPolarHBondContact O-CD1 3.35Å; A327-L330 WeakPolarHBondContact O-CB 3.33Å; A327-L330 PolarHBondContact O-N 3.06Å; V328-L330 PolarHBondContact O-N 3.47Å; L330-A333 PolarHBondContact O-N 3.33Å; L330-R335 WeakPolarHBondContact O-CB 3.49Å; L330-R335 PolarHBondContact O-N 3.14Å; L330-V337 HydrophobicContact CB-CG2 3.88Å; L330-V501 HydrophobicContact CD1-CB 4.01Å; L330-V501 HydrophobicContact CD1-CG1 3.59Å; L330-V501 HydrophobicContact CD2-CB 4.12Å; L330-V501 HydrophobicContact CD2-CG1 4.18Å; L330-V501 HydrophobicContact CD2-CG2 3.91Å; L330-I503 HydrophobicContact CD1-CD1 3.74Å; L330-I503 HydrophobicContact CD1-CG1 4.09Å
331	I	96.5	Very high	94.2	Very high	1 Å²	1	7 Å²	7	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-74.1	-44.1	179.9	-62.9	161.3	0	0	0	110.6	A327 V328 P329 A333 G334 V337 A350 P354 Y447 Q477 L479 F481	A327-I331 HydrophobicContact CB-CD1 4.07Å; A327-I331 WeakPolarHBondContact O-CB 3.16Å; A327-I331 WeakPolarHBondContact O-CD1 3.32Å; A327-I331 WeakPolarHBondContact O-CG1 3.39Å; A327-I331 PolarHBondContact O-N 2.54Å; V328-I331 PolarHBondContact O-N 2.73Å; P329-I331 VanDerWaalsContact C-N 3.32Å; P329-I331 PolarHBondContact O-N 3.48Å; I331-A333 PolarHBondContact O-N 3.49Å; I331-G334 PolarHBondContact O-N 3.24Å; I331-V337 HydrophobicContact CG1-CB 4.49Å; I331-V337 HydrophobicContact CG1-CG2 3.92Å; I331-A350 WeakPolarHBondContact CD1-O 3.15Å; I331-P354 HydrophobicContact CB-CB 4.06Å; I331-P354 HydrophobicContact CB-CG 3.91Å; I331-P354 HydrophobicContact CG2-CB 3.34Å; I331-P354 HydrophobicContact CG2-CG 3.65Å; I331-Y447 HydrophobicContact CG2-CE2 3.7Å; I331-Y447 VanDerWaalsContact CG2-OH 3.24Å; I331-Y447 WeakPolarHBondContact CG2-OH 3.44Å; I331-Q477 PolarHBondContact O-NE2 2.97Å; I331-L479 HydrophobicContact CD1-CD1 3.81Å; I331-L479 HydrophobicContact CG1-CD1 3.87Å; I331-L479 HydrophobicContact CG1-CD2 3.93Å; I331-L479 HydrophobicContact CG2-CD1 3.79Å; I331-L479 HydrophobicContact CG2-CD2 4.43Å; I331-F481 HydrophobicContact CD1-CZ 4.06Å
332	L	95.6	Very high	93.4	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.021	5%	0.048	C	C	.	.	H	α-helix	trans	-60	-28.2	173.8	-71.6	170.5	0	0	0	112	F261 Y262 L302 L304 V328 P329 G334 P354 I357	F261-L332 PolarHBondContact N-O 3.29Å; Y262-L332 HydrophobicContact CD2-CB 4.29Å; Y262-L332 HydrophobicContact CD2-CD1 4.35Å; Y262-L332 HydrophobicContact CG-CB 4.43Å; Y262-L332 PolarHBondContact N-O 3.46Å; L302-L332 HydrophobicContact CD2-CD1 4.44Å; L304-L332 HydrophobicContact CD2-CD1 4.28Å; V328-L332 HydrophobicContact CG1-CD1 3.92Å; V328-L332 HydrophobicContact CG1-CG 4.32Å; V328-L332 WeakPolarHBondContact O-CB 3.38Å; V328-L332 WeakPolarHBondContact O-CG 3.29Å; V328-L332 PolarHBondContact O-N 2.84Å; P329-L332 PolarHBondContact O-N 3.29Å; L332-G334 PolarHBondContact O-N 2.71Å; L332-P354 HydrophobicContact CD2-CB 3.85Å; L332-P354 HydrophobicContact CD2-CG 4.28Å; L332-P354 HydrophobicContact CG-CB 4.15Å; L332-P354 HydrophobicContact CG-CG 4.18Å; L332-I357 HydrophobicContact CD2-CB 4.21Å; L332-I357 HydrophobicContact CD2-CD1 3.79Å; L332-I357 HydrophobicContact CD2-CG2 4.16Å
333	A	94.3	Very high	92.5	Very high	17 Å²	17	9.1 Å²	9.1	14%	0.14	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	4.1	174.2	0	0	0	0	0	114.8	N260 L293 P329 L330 I331 R335	N260-A333 WeakPolarHBondContact OD1-CA 3.44Å; L293-A333 HydrophobicContact CD1-CB 3.4Å; L293-A333 VanDerWaalsContact CD1-CB 3.4Å; P329-A333 WeakPolarHBondContact O-CB 3.49Å; P329-A333 PolarHBondContact O-N 3Å; L330-A333 PolarHBondContact O-N 3.33Å; I331-A333 PolarHBondContact O-N 3.49Å; A333-R335 VanDerWaalsContact C-N 3.34Å; A333-R335 PolarHBondContact O-N 2.83Å
334	G	94	Very high	91.6	Very high	6 Å²	6	11.7 Å²	11.7	6%	0.062	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	15.2	176.1	0	0	0	0	0	115.6	K259 I331 L332	K259-G334 VanDerWaalsContact CD-O 3.31Å; K259-G334 WeakPolarHBondContact CD-O 3.4Å; K259-G334 WeakPolarHBondContact CE-O 3.49Å; K259-G334 PolarHBondContact NZ-O 3.14Å; K259-G334 WeakPolarHBondContact O-CA 3.21Å; K259-G334 PolarHBondContact O-N 3.34Å; K259-G334 VanDerWaalsContact O-N 3.16Å; I331-G334 PolarHBondContact O-N 3.24Å; L332-G334 PolarHBondContact O-N 2.71Å
335	R	94.6	Very high	90.9	Very high	28 Å²	28	11.9 Å²	11.9	11%	0.106	8%	0.077	C	C	.	.			trans	-85.1	147.2	179	-60.4	-63.6	-58.3	-70.9	-7.6	111.3	P290 S291 L330 A333 Q477 D499	P290-R335 PolarHBondContact O-NH1 2.91Å; P290-R335 PolarHBondContact O-NH2 3.33Å; S291-R335 PolarHBondContact O-NH1 3.48Å; S291-R335 VanDerWaalsContact O-NH1 3.11Å; L330-R335 WeakPolarHBondContact O-CB 3.49Å; L330-R335 PolarHBondContact O-N 3.14Å; A333-R335 VanDerWaalsContact C-N 3.34Å; A333-R335 PolarHBondContact O-N 2.83Å; R335-Q477 PolarHBondContact O-NE2 3.13Å; R335-D499 PolarHBondContact NH2-O 3.47Å
336	D	96.6	Very high	90.5	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.016	9%	0.086	C	C	.	.			trans	-71.9	142.3	167.8	-75.7	18	0	0	0	109.3	K259 Q477 T478 L497 L498 P500 V501	K259-D336 IonicContact NZ-OD1 3.54Å; D336-Q477 WeakPolarHBondContact OD1-CA 3.48Å; D336-T478 VanDerWaalsContact CA-O 3.25Å; D336-T478 WeakPolarHBondContact CA-O 3.5Å; D336-T478 VanDerWaalsContact CB-O 3.25Å; D336-T478 WeakPolarHBondContact CB-O 3.4Å; D336-T478 VanDerWaalsContact CG-N 3.34Å; D336-T478 VanDerWaalsContact CG-O 3.28Å; D336-T478 PolarHBondContact OD1-N 3.36Å; D336-T478 WeakPolarHBondContact OD2-CB 3.45Å; D336-L497 HydrophobicContact CB-CB 4.39Å; D336-L497 WeakPolarHBondContact OD2-CA 3.49Å; D336-L498 PolarHBondContact OD2-N 3.08Å; D336-P500 HydrophobicContact CB-CB 4.14Å; D336-P500 WeakPolarHBondContact O-CA 3.05Å; D336-V501 PolarHBondContact O-N 3.46Å
337	V	96.1	Very high	90.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.2	-171.9	179	0	0	0	0	111.6	L330 I331 T478 L479 L480 V501 I503	L330-V337 HydrophobicContact CB-CG2 3.88Å; I331-V337 HydrophobicContact CG1-CB 4.49Å; I331-V337 HydrophobicContact CG1-CG2 3.92Å; V337-T478 PolarHBondContact N-O 3.4Å; V337-L479 HydrophobicContact CB-CD2 3.97Å; V337-L479 HydrophobicContact CG2-CD2 4.17Å; V337-L479 WeakPolarHBondContact O-CA 3.48Å; V337-L480 PolarHBondContact O-N 3.41Å; V337-V501 WeakPolarHBondContact CA-O 3.28Å; V337-I503 HydrophobicContact CG1-CD1 3.57Å; V337-I503 HydrophobicContact CG1-CG1 4.21Å
338	I	95.9	Very high	90.3	Very high	11 Å²	11	15.1 Å²	15.1	6%	0.056	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	100.6	166.7	-61.5	165.7	0	0	0	107.7	I340 L480 F485 A493 L497 P500 V501 R502 I503	I338-I340 HydrophobicContact CG2-CD1 3.94Å; I338-I340 HydrophobicContact CG2-CG1 4.06Å; I338-L480 CarbonylContact C-O 3.55Å; I338-L480 WeakPolarHBondContact CA-O 3.18Å; I338-L480 HydrophobicContact CG2-CD2 4.48Å; I338-F485 HydrophobicContact CD1-CE2 4.35Å; I338-F485 HydrophobicContact CD1-CZ 4Å; I338-F485 HydrophobicContact CG2-CD2 3.93Å; I338-F485 HydrophobicContact CG2-CE2 3.53Å; I338-F485 HydrophobicContact CG2-CZ 4Å; I338-A493 HydrophobicContact CD1-CB 4.02Å; I338-L497 HydrophobicContact CD1-CD1 3.74Å; I338-L497 HydrophobicContact CG1-CD1 3.38Å; I338-P500 HydrophobicContact CD1-CB 4.13Å; I338-P500 HydrophobicContact CD1-CG 4.08Å; I338-P500 HydrophobicContact CG1-CB 4.2Å; I338-V501 PolarHBondContact N-O 2.94Å; I338-R502 HydrophobicContact CB-CB 4.09Å; I338-R502 HydrophobicContact CB-CG 4.19Å; I338-R502 HydrophobicContact CD1-CB 4.46Å; I338-R502 HydrophobicContact CG2-CG 4.07Å; I338-R502 WeakPolarHBondContact O-CA 3.35Å; I338-I503 PolarHBondContact O-N 3.47Å
339	G	94.4	Very high	90.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	102	-177.8	0	0	0	0	0	112.9	L480 F481 S482	G339-L480 PolarHBondContact N-O 3.39Å; G339-F481 WeakPolarHBondContact O-CA 3.48Å; G339-S482 PolarHBondContact O-N 2.85Å
340	I	91.8	Very high	90.2	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.026	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.2	179.8	-59.7	153.6	0	0	0	109.1	I338 F485 R502 I503 I504 Q505 L508	I338-I340 HydrophobicContact CG2-CD1 3.94Å; I338-I340 HydrophobicContact CG2-CG1 4.06Å; I340-F485 HydrophobicContact CD1-CB 3.48Å; I340-F485 VanDerWaalsContact CD1-CB 3.48Å; I340-F485 HydrophobicContact CD1-CD1 4.12Å; I340-F485 HydrophobicContact CD1-CD2 3.94Å; I340-F485 HydrophobicContact CD1-CG 3.59Å; I340-F485 HydrophobicContact CG1-CB 3.98Å; I340-F485 HydrophobicContact CG1-CD2 4.27Å; I340-F485 HydrophobicContact CG1-CG 4.28Å; I340-R502 HydrophobicContact CD1-CG 4.07Å; I340-I503 PolarHBondContact N-O 3.28Å; I340-I504 HydrophobicContact CD1-CG1 4.02Å; I340-I504 HydrophobicContact CG2-CG2 4.29Å; I340-Q505 PolarHBondContact O-N 2.91Å; I340-L508 HydrophobicContact CG2-CD2 4.32Å
341	G	85.9	Confident	90.2	Very high	2 Å²	2	15.5 Å²	15.5	2%	0.021	10%	0.102	C	C	.	.			trans	-174.9	158.1	177.8	0	0	0	0	0	113.5	K347 S482	G341-K347 PolarHBondContact O-NZ 3.46Å; G341-S482 PolarHBondContact N-O 3.41Å
342	K	75.3	Confident	90.2	Very high	77 Å²	77	15.6 Å²	15.6	34%	0.335	10%	0.102	S	C	.	.			trans	-55.3	155.4	-174.8	69.5	-178.1	-169.9	175.2	0	113.4	G344 S345 N512 D514	K342-G344 PolarHBondContact O-N 3.35Å; K342-S345 WeakPolarHBondContact O-CB 3Å; K342-S345 PolarHBondContact O-N 3.49Å; K342-S345 PolarHBondContact O-OG 3.24Å; K342-N512 HydrophobicContact CD-CB 4.36Å; K342-N512 WeakPolarHBondContact CD-OD1 3.5Å; K342-N512 WeakPolarHBondContact CE-OD1 3.48Å; K342-N512 PolarHBondContact NZ-OD1 2.88Å; K342-D514 IonicContact NZ-OD2 3.6Å; K342-D514 PolarHBondContact NZ-OD2 2.91Å
343	T	72.6	Confident	90.2	Very high	35 Å²	35	15.6 Å²	15.6	22%	0.215	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	137	172.8	49.9	0	0	0	0	110.5	S345	T343-S345 VanDerWaalsContact C-N 3.3Å; T343-S345 PolarHBondContact O-N 3.4Å
344	G	72.8	Confident	90.3	Very high	54 Å²	54	14.9 Å²	14.9	56%	0.557	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	4.4	-176.6	0	0	0	0	0	115.1	K342 G346	K342-G344 PolarHBondContact O-N 3.35Å; G344-G346 PolarHBondContact O-N 2.99Å
345	S	80.6	Confident	90.4	Very high	6 Å²	6	14.6 Å²	14.6	4%	0.042	9%	0.093	C	C	.	.	S	Bend	trans	-67.9	-5.8	174.4	51.1	0	0	0	0	115.3	T321 I323 K342 T343 K347 Q505	T321-S345 VanDerWaalsContact CB-O 3.23Å; T321-S345 WeakPolarHBondContact CB-O 3.32Å; T321-S345 WeakPolarHBondContact CG2-O 3.26Å; T321-S345 PolarHBondContact OG1-O 3.09Å; I323-S345 WeakPolarHBondContact CG2-O 3.47Å; K342-S345 WeakPolarHBondContact O-CB 3Å; K342-S345 PolarHBondContact O-N 3.49Å; K342-S345 PolarHBondContact O-OG 3.24Å; T343-S345 VanDerWaalsContact C-N 3.3Å; T343-S345 PolarHBondContact O-N 3.4Å; S345-K347 WeakPolarHBondContact OG-CG 3.44Å; S345-Q505 VanDerWaalsContact CB-OE1 3.24Å
346	G	86.5	Confident	90.4	Very high	19 Å²	19	13.4 Å²	13.4	20%	0.196	9%	0.089	C	C	.	.	S	Bend	trans	96.2	7.1	179.4	0	0	0	0	0	116.1	Q324 G344 T348 A349 A350	Q324-G346 PolarHBondContact NE2-O 3.44Å; G344-G346 PolarHBondContact O-N 2.99Å; G346-T348 VanDerWaalsContact C-N 3.3Å; G346-T348 PolarHBondContact O-N 3.16Å; G346-A349 PolarHBondContact O-N 2.65Å; G346-A349 VanDerWaalsContact O-N 3.13Å; G346-A350 PolarHBondContact O-N 2.71Å
347	K	92.4	Very high	90.3	Very high	16 Å²	16	14.8 Å²	14.8	7%	0.07	10%	0.096	C	C	.	.	H	α-helix	trans	-46.9	-45.3	179.2	-65.4	-178.4	-53.9	-165.8	0	114	I323 G341 S345 A349 A350 F351 F481 S482	I323-K347 HydrophobicContact CG1-CG 4.18Å; I323-K347 HydrophobicContact CG2-CG 4.17Å; G341-K347 PolarHBondContact O-NZ 3.46Å; S345-K347 WeakPolarHBondContact OG-CG 3.44Å; K347-A349 VanDerWaalsContact C-N 3.34Å; K347-A349 PolarHBondContact O-N 3.11Å; K347-A350 WeakPolarHBondContact O-CA 3.32Å; K347-A350 VanDerWaalsContact O-CB 3.26Å; K347-A350 WeakPolarHBondContact O-CB 3.27Å; K347-A350 PolarHBondContact O-N 2.89Å; K347-F351 WeakPolarHBondContact O-CD1 3.47Å; K347-F351 PolarHBondContact O-N 3.06Å; K347-F481 HydrophobicContact CB-CD1 3.9Å; K347-F481 HydrophobicContact CB-CE1 4.39Å; K347-F481 HydrophobicContact CB-CG 4.42Å; K347-F481 HydrophobicContact CD-CB 4.33Å; K347-F481 HydrophobicContact CD-CD1 3.92Å; K347-F481 HydrophobicContact CG-CD1 3.87Å; K347-F481 HydrophobicContact CG-CE1 4.41Å; K347-S482 PolarHBondContact NZ-O 2.98Å
348	T	93.7	Very high	90.3	Very high	33 Å²	33	14.8 Å²	14.8	20%	0.202	10%	0.096	C	C	.	.	H	α-helix	trans	-57.2	-43.8	-178.9	-47.6	0	0	0	0	112.9	G346 F351 L352 I386	G346-T348 VanDerWaalsContact C-N 3.3Å; G346-T348 PolarHBondContact O-N 3.16Å; T348-F351 HydrophobicContact CG2-CE2 4.27Å; T348-F351 HydrophobicContact CG2-CZ 4Å; T348-F351 WeakPolarHBondContact O-CD2 3.39Å; T348-L352 HydrophobicContact CG2-CD1 3.87Å; T348-L352 HydrophobicContact CG2-CG 4.45Å; T348-L352 WeakPolarHBondContact O-CB 3.45Å; T348-L352 VanDerWaalsContact O-CG 3.23Å; T348-L352 WeakPolarHBondContact O-CG 3.39Å; T348-L352 PolarHBondContact O-N 3.33Å; T348-I386 HydrophobicContact CG2-CG1 3.97Å; T348-I386 HydrophobicContact CG2-CG2 4.44Å
349	A	93.4	Very high	90.3	Very high	8 Å²	8	14.6 Å²	14.6	7%	0.066	10%	0.095	C	C	.	.	H	α-helix	trans	-73.4	-29.4	176.5	0	0	0	0	0	112.3	G346 K347 F351 L352 W353	G346-A349 PolarHBondContact O-N 2.65Å; G346-A349 VanDerWaalsContact O-N 3.13Å; K347-A349 VanDerWaalsContact C-N 3.34Å; K347-A349 PolarHBondContact O-N 3.11Å; A349-F351 VanDerWaalsContact C-N 3.28Å; A349-F351 PolarHBondContact O-N 2.68Å; A349-L352 PolarHBondContact O-N 2.76Å; A349-W353 HydrophobicContact CB-CD2 4.27Å; A349-W353 HydrophobicContact CB-CH2 4.08Å; A349-W353 HydrophobicContact CB-CZ2 3.63Å; A349-W353 PolarHBondContact O-N 3.01Å; A349-W353 VanDerWaalsContact O-N 3.07Å
350	A	95.1	Very high	90.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.7	-31.9	178.2	0	0	0	0	0	113.5	Q324 A327 V328 I331 G346 K347 P354	Q324-A350 HydrophobicContact CB-CB 4.45Å; Q324-A350 HydrophobicContact CG-CB 3.72Å; A327-A350 HydrophobicContact CB-CB 4.45Å; V328-A350 HydrophobicContact CG2-CB 4.13Å; I331-A350 WeakPolarHBondContact CD1-O 3.15Å; G346-A350 PolarHBondContact O-N 2.71Å; K347-A350 WeakPolarHBondContact O-CA 3.32Å; K347-A350 VanDerWaalsContact O-CB 3.26Å; K347-A350 WeakPolarHBondContact O-CB 3.27Å; K347-A350 PolarHBondContact O-N 2.89Å; A350-P354 WeakPolarHBondContact O-CD 3.27Å; A350-P354 WeakPolarHBondContact O-CG 3.46Å
351	F	96.5	Very high	90.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-95.6	-28.5	171.5	60.8	-109.8	0	0	0	113.8	K347 T348 A349 L355 I375 I386 Y447 V449 D451 L479 F481	K347-F351 WeakPolarHBondContact O-CD1 3.47Å; K347-F351 PolarHBondContact O-N 3.06Å; T348-F351 HydrophobicContact CG2-CE2 4.27Å; T348-F351 HydrophobicContact CG2-CZ 4Å; T348-F351 WeakPolarHBondContact O-CD2 3.39Å; A349-F351 VanDerWaalsContact C-N 3.28Å; A349-F351 PolarHBondContact O-N 2.68Å; F351-L355 VanDerWaalsContact O-CB 3.24Å; F351-L355 WeakPolarHBondContact O-CB 3.4Å; F351-L355 PolarHBondContact O-N 2.98Å; F351-I375 HydrophobicContact CD2-CD1 4.23Å; F351-I375 HydrophobicContact CE2-CD1 3.93Å; F351-I375 HydrophobicContact CE2-CG1 4.29Å; F351-I375 HydrophobicContact CE2-CG2 3.99Å; F351-I375 HydrophobicContact CZ-CG2 4.22Å; F351-I386 HydrophobicContact CE2-CG2 4.22Å; F351-I386 HydrophobicContact CZ-CD1 4.33Å; F351-Y447 PolarHBondContact O-OH 2.74Å; F351-V449 HydrophobicContact CB-CG2 4.31Å; F351-V449 HydrophobicContact CD1-CG1 3.93Å; F351-V449 HydrophobicContact CD2-CG1 4.22Å; F351-V449 HydrophobicContact CD2-CG2 4.35Å; F351-V449 HydrophobicContact CE1-CG1 4.05Å; F351-V449 HydrophobicContact CE2-CG1 4.37Å; F351-V449 HydrophobicContact CG-CG1 4Å; F351-V449 HydrophobicContact CG-CG2 4.39Å; F351-V449 HydrophobicContact CZ-CG1 4.27Å; F351-D451 HydrophobicContact CE1-CB 4.16Å; F351-D451 HydrophobicContact CZ-CB 4.24Å; F351-L479 HydrophobicContact CB-CD1 3.98Å; F351-F481 HydrophobicContact CB-CE2 3.85Å; F351-F481 HydrophobicContact CB-CZ 4.4Å; F351-F481 AromaticContact CD1-CD2 3.57Å; F351-F481 HydrophobicContact CD1-CD2 3.57Å; F351-F481 AromaticContact CD1-CE2 3.58Å; F351-F481 HydrophobicContact CD1-CE2 3.58Å; F351-F481 HydrophobicContact CD1-CG 4.24Å; F351-F481 HydrophobicContact CD1-CZ 4.24Å; F351-F481 HydrophobicContact CE1-CD2 4.15Å; F351-F481 HydrophobicContact CG-CD2 4.48Å; F351-F481 HydrophobicContact CG-CE2 4.18Å
352	L	96.6	Very high	90.6	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-69.3	-37.4	179.1	-74.4	178.3	0	0	0	113.6	T348 A349 L355 I356 I375 E389 A390 L393	T348-L352 HydrophobicContact CG2-CD1 3.87Å; T348-L352 HydrophobicContact CG2-CG 4.45Å; T348-L352 WeakPolarHBondContact O-CB 3.45Å; T348-L352 VanDerWaalsContact O-CG 3.23Å; T348-L352 WeakPolarHBondContact O-CG 3.39Å; T348-L352 PolarHBondContact O-N 3.33Å; A349-L352 PolarHBondContact O-N 2.76Å; L352-L355 HydrophobicContact CD2-CD2 4.3Å; L352-L355 PolarHBondContact O-N 2.93Å; L352-I356 WeakPolarHBondContact O-CG1 3.44Å; L352-I356 PolarHBondContact O-N 3.34Å; L352-I375 HydrophobicContact CD2-CD1 3.66Å; L352-E389 HydrophobicContact CD1-CB 3.85Å; L352-A390 HydrophobicContact CD1-CB 4.28Å; L352-A390 HydrophobicContact CD2-CB 3.77Å; L352-L393 HydrophobicContact CB-CD1 3.84Å; L352-L393 HydrophobicContact CD1-CD1 4.35Å
353	W	94.7	Very high	91.4	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.015	16%	0.155	C	C	.	.	H	α-helix	trans	-66.4	-48.7	-179.8	-55.4	-34.3	0	0	0	112.8	F299 L308 I312 Y317 Q324 V328 A349 L355 I356	F299-W353 HydrophobicContact CD1-CH2 4.3Å; F299-W353 HydrophobicContact CD1-CZ3 4.17Å; F299-W353 AromaticContact CE1-CH2 3.44Å; F299-W353 HydrophobicContact CE1-CH2 3.44Å; F299-W353 VanDerWaalsContact CE1-CH2 3.44Å; F299-W353 HydrophobicContact CE1-CZ2 4.48Å; F299-W353 AromaticContact CE1-CZ3 3.58Å; F299-W353 HydrophobicContact CE1-CZ3 3.58Å; F299-W353 AromaticContact CZ-CH2 3.97Å; F299-W353 HydrophobicContact CZ-CH2 3.97Å; L308-W353 HydrophobicContact CD1-CG 4.42Å; L308-W353 HydrophobicContact CD2-CB 4.21Å; I312-W353 HydrophobicContact CD1-CD2 3.88Å; I312-W353 HydrophobicContact CD1-CE3 4.36Å; I312-W353 HydrophobicContact CD1-CG 4.22Å; I312-W353 HydrophobicContact CD1-CH2 4.49Å; I312-W353 HydrophobicContact CD1-CZ2 4.01Å; I312-W353 HydrophobicContact CG1-CD2 4.32Å; I312-W353 HydrophobicContact CG1-CZ2 3.78Å; I312-W353 HydrophobicContact CG2-CZ2 4.33Å; Y317-W353 AromaticContact CD2-CZ2 3.97Å; Y317-W353 HydrophobicContact CD2-CZ2 3.97Å; Y317-W353 HydrophobicContact CE2-CZ2 4.02Å; Y317-W353 HydrophobicContact CG-CZ2 4.49Å; Q324-W353 HydrophobicContact CB-CZ3 4.38Å; Q324-W353 HydrophobicContact CG-CZ3 4.09Å; V328-W353 HydrophobicContact CG2-CE3 4.13Å; V328-W353 HydrophobicContact CG2-CZ3 4.46Å; A349-W353 HydrophobicContact CB-CD2 4.27Å; A349-W353 HydrophobicContact CB-CH2 4.08Å; A349-W353 HydrophobicContact CB-CZ2 3.63Å; A349-W353 PolarHBondContact O-N 3.01Å; A349-W353 VanDerWaalsContact O-N 3.07Å; W353-L355 VanDerWaalsContact C-N 3.3Å; W353-L355 PolarHBondContact O-N 3.35Å; W353-I356 PolarHBondContact O-N 2.94Å
354	P	95.7	Very high	92.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.013	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-32.7	174.6	-23.9	36.7	0	0	0	113.4	V328 I331 L332 A350 I356 I357 H358	V328-P354 HydrophobicContact CG1-CG 3.9Å; I331-P354 HydrophobicContact CB-CB 4.06Å; I331-P354 HydrophobicContact CB-CG 3.91Å; I331-P354 HydrophobicContact CG2-CB 3.34Å; I331-P354 HydrophobicContact CG2-CG 3.65Å; L332-P354 HydrophobicContact CD2-CB 3.85Å; L332-P354 HydrophobicContact CD2-CG 4.28Å; L332-P354 HydrophobicContact CG-CB 4.15Å; L332-P354 HydrophobicContact CG-CG 4.18Å; A350-P354 WeakPolarHBondContact O-CD 3.27Å; A350-P354 WeakPolarHBondContact O-CG 3.46Å; P354-I356 VanDerWaalsContact C-N 3.29Å; P354-I356 PolarHBondContact O-N 3.35Å; P354-I357 PolarHBondContact O-N 2.88Å; P354-H358 VanDerWaalsContact O-CB 3.29Å; P354-H358 WeakPolarHBondContact O-CB 3.47Å; P354-H358 PolarHBondContact O-N 2.84Å
355	L	96.6	Very high	93.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.3	-38.4	177.6	173.1	59.1	0	0	0	112.3	F351 L352 W353 H358 I359 I375 I423 Y447	F351-L355 VanDerWaalsContact O-CB 3.24Å; F351-L355 WeakPolarHBondContact O-CB 3.4Å; F351-L355 PolarHBondContact O-N 2.98Å; L352-L355 HydrophobicContact CD2-CD2 4.3Å; L352-L355 PolarHBondContact O-N 2.93Å; W353-L355 VanDerWaalsContact C-N 3.3Å; W353-L355 PolarHBondContact O-N 3.35Å; L355-H358 PolarHBondContact O-N 3.26Å; L355-I359 HydrophobicContact CD1-CD1 3.61Å; L355-I359 HydrophobicContact CD1-CG1 3.98Å; L355-I359 HydrophobicContact CG-CD1 3.92Å; L355-I359 VanDerWaalsContact O-CG1 3.31Å; L355-I359 WeakPolarHBondContact O-CG1 3.14Å; L355-I359 PolarHBondContact O-N 3.31Å; L355-I375 HydrophobicContact CD2-CD1 3.78Å; L355-I375 HydrophobicContact CD2-CG1 4.37Å; L355-I423 HydrophobicContact CD2-CD1 3.98Å; L355-I423 HydrophobicContact CD2-CG1 4.07Å; L355-I423 HydrophobicContact CD2-CG2 4.08Å; L355-I423 HydrophobicContact CG-CD1 4.26Å; L355-I423 HydrophobicContact CG-CG1 4.41Å; L355-Y447 HydrophobicContact CB-CD1 4.26Å; L355-Y447 HydrophobicContact CB-CE1 3.8Å; L355-Y447 HydrophobicContact CD1-CD1 3.58Å; L355-Y447 HydrophobicContact CD1-CD2 4.44Å; L355-Y447 HydrophobicContact CD1-CE1 4.03Å; L355-Y447 HydrophobicContact CD1-CG 3.79Å; L355-Y447 HydrophobicContact CD2-CE1 4.46Å; L355-Y447 HydrophobicContact CG-CD1 4.33Å; L355-Y447 HydrophobicContact CG-CE1 4.3Å
356	I	95.5	Very high	93.9	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-50	176.1	-64.4	-67.2	0	0	0	110.3	L352 W353 P354 H358 I359 M360 L393 A394 Y397 L399 I423	L352-I356 WeakPolarHBondContact O-CG1 3.44Å; L352-I356 PolarHBondContact O-N 3.34Å; W353-I356 PolarHBondContact O-N 2.94Å; P354-I356 VanDerWaalsContact C-N 3.29Å; P354-I356 PolarHBondContact O-N 3.35Å; I356-H358 VanDerWaalsContact C-N 3.34Å; I356-H358 PolarHBondContact O-N 3.28Å; I356-I359 PolarHBondContact O-N 2.87Å; I356-M360 HydrophobicContact CG2-CG 4.42Å; I356-M360 VanDerWaalsContact O-CG 3.3Å; I356-M360 WeakPolarHBondContact O-CG 3.2Å; I356-M360 PolarHBondContact O-N 3.45Å; I356-L393 HydrophobicContact CD1-CB 4.24Å; I356-L393 HydrophobicContact CG1-CB 4.25Å; I356-A394 HydrophobicContact CD1-CB 4.42Å; I356-Y397 HydrophobicContact CG2-CD1 4.25Å; I356-Y397 HydrophobicContact CG2-CD2 3.52Å; I356-Y397 HydrophobicContact CG2-CE1 4.24Å; I356-Y397 HydrophobicContact CG2-CE2 3.54Å; I356-Y397 HydrophobicContact CG2-CG 3.92Å; I356-L399 HydrophobicContact CD1-CD1 3.94Å; I356-I423 HydrophobicContact CD1-CD1 4.08Å
357	I	94.5	Very high	94.1	Very high	32 Å²	32	45.4 Å²	45.4	16%	0.164	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-45	177.7	-70	167.9	0	0	0	110.8	F261 L304 L308 L332 P354 I359 M360 D361	F261-I357 HydrophobicContact CB-CG2 4.05Å; F261-I357 HydrophobicContact CD2-CG2 4.26Å; F261-I357 HydrophobicContact CG-CG2 4.06Å; L304-I357 HydrophobicContact CD2-CD1 3.41Å; L304-I357 VanDerWaalsContact CD2-CD1 3.41Å; L308-I357 HydrophobicContact CD2-CD1 4.07Å; L308-I357 HydrophobicContact CD2-CG1 4.28Å; L332-I357 HydrophobicContact CD2-CB 4.21Å; L332-I357 HydrophobicContact CD2-CD1 3.79Å; L332-I357 HydrophobicContact CD2-CG2 4.16Å; P354-I357 PolarHBondContact O-N 2.88Å; I357-I359 VanDerWaalsContact C-N 3.31Å; I357-I359 PolarHBondContact O-N 2.97Å; I357-M360 PolarHBondContact O-N 2.83Å; I357-D361 PolarHBondContact O-N 3.12Å
358	H	95.5	Very high	94	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-55.4	-45.4	177.4	-175.7	88.6	0	0	0	112	F257 A258 F261 P354 L355 I356 Q362 T446 Y447	F257-H358 AromaticContact CD2-CE1 3.78Å; F257-H358 AromaticContact CE2-CE1 3.77Å; A258-H358 PolarHBondContact O-CE1 3.15Å; F261-H358 HydrophobicContact CE2-CB 4.07Å; F261-H358 AromaticContact CE2-ND1 3.48Å; F261-H358 WeakPolarHBondContact CE2-ND1 3.47Å; F261-H358 AromaticContact CZ-ND1 3.75Å; P354-H358 VanDerWaalsContact O-CB 3.29Å; P354-H358 WeakPolarHBondContact O-CB 3.47Å; P354-H358 PolarHBondContact O-N 2.84Å; L355-H358 PolarHBondContact O-N 3.26Å; I356-H358 VanDerWaalsContact C-N 3.34Å; I356-H358 PolarHBondContact O-N 3.28Å; H358-Q362 PolarHBondContact NE2-NE2 2.86Å; H358-Q362 VanDerWaalsContact O-CG 3.31Å; H358-Q362 WeakPolarHBondContact O-CG 3.34Å; H358-Q362 PolarHBondContact O-NE2 3.01Å; H358-T446 PolarHBondContact NE2-OG1 2.84Å; H358-Y447 HydrophobicContact CB-CD2 4.21Å; H358-Y447 AromaticContact CG-CD2 3.97Å
359	I	95.6	Very high	94	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-68	-41.8	178.4	-72.4	165.6	0	0	0	111.6	L355 I356 I357 D361 Q362 I372 L399 E422 I423	L355-I359 HydrophobicContact CD1-CD1 3.61Å; L355-I359 HydrophobicContact CD1-CG1 3.98Å; L355-I359 HydrophobicContact CG-CD1 3.92Å; L355-I359 VanDerWaalsContact O-CG1 3.31Å; L355-I359 WeakPolarHBondContact O-CG1 3.14Å; L355-I359 PolarHBondContact O-N 3.31Å; I356-I359 PolarHBondContact O-N 2.87Å; I357-I359 VanDerWaalsContact C-N 3.31Å; I357-I359 PolarHBondContact O-N 2.97Å; I359-D361 PolarHBondContact O-N 2.93Å; I359-Q362 WeakPolarHBondContact O-CB 3.41Å; I359-Q362 PolarHBondContact O-N 3.19Å; I359-I372 HydrophobicContact CG1-CB 4.06Å; I359-I372 HydrophobicContact CG1-CG2 3.75Å; I359-I372 HydrophobicContact CG2-CD1 4.26Å; I359-L399 HydrophobicContact CB-CD1 4.33Å; I359-L399 HydrophobicContact CG2-CD1 3.82Å; I359-L399 HydrophobicContact CG2-CD2 3.72Å; I359-L399 HydrophobicContact CG2-CG 4.41Å; I359-E422 HydrophobicContact CD1-CB 4.11Å; I359-E422 HydrophobicContact CG2-CB 4Å; I359-E422 HydrophobicContact CG2-CG 4.1Å; I359-I423 HydrophobicContact CD1-CD1 3.85Å; I359-I423 HydrophobicContact CD1-CG1 3.34Å
360	M	93.4	Very high	94	Very high	98 Å²	98	47.2 Å²	47.2	48%	0.483	25%	0.253	S	S	.	.	H	α-helix	trans	-65.4	-22.6	-176.4	-72.5	-57.3	-57	0	0	113.7	I356 I357 Y397 L399	I356-M360 HydrophobicContact CG2-CG 4.42Å; I356-M360 VanDerWaalsContact O-CG 3.3Å; I356-M360 WeakPolarHBondContact O-CG 3.2Å; I356-M360 PolarHBondContact O-N 3.45Å; I357-M360 PolarHBondContact O-N 2.83Å; M360-Y397 HydrophobicContact CE-CD1 4.06Å; M360-Y397 HydrophobicContact CG-CD1 3.76Å; M360-Y397 HydrophobicContact CG-CE1 4.29Å; M360-Y397 HydrophobicContact CG-CG 4.39Å; M360-Y397 HydrophobicContact SD-CD1 3.64Å; M360-Y397 HydrophobicContact SD-CG 4.1Å; M360-L399 HydrophobicContact SD-CD1 4.38Å; M360-L399 HydrophobicContact SD-CD2 4.24Å
361	D	93	Very high	94.1	Very high	94 Å²	94	47.2 Å²	47.2	50%	0.503	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-0.3	173	-152.7	63.4	0	0	0	113.4	A258 F261 I357 I359	A258-D361 WeakPolarHBondContact CB-OD2 3.38Å; F261-D361 HydrophobicContact CD1-CB 4.19Å; F261-D361 HydrophobicContact CE1-CB 3.55Å; F261-D361 WeakPolarHBondContact CE1-OD2 3.22Å; F261-D361 HydrophobicContact CZ-CB 4.27Å; I357-D361 PolarHBondContact O-N 3.12Å; I359-D361 PolarHBondContact O-N 2.93Å
362	Q	92.5	Very high	94.2	Very high	22 Å²	22	47.3 Å²	47.3	10%	0.103	25%	0.253	C	S	.	.	S	Bend	trans	-89.7	154.4	171.8	-56	-42.3	-48.3	0	0	112	A258 H358 I359 I372	A258-Q362 PolarHBondContact O-NE2 3.07Å; H358-Q362 PolarHBondContact NE2-NE2 2.86Å; H358-Q362 VanDerWaalsContact O-CG 3.31Å; H358-Q362 WeakPolarHBondContact O-CG 3.34Å; H358-Q362 PolarHBondContact O-NE2 3.01Å; I359-Q362 WeakPolarHBondContact O-CB 3.41Å; I359-Q362 PolarHBondContact O-N 3.19Å; Q362-I372 HydrophobicContact CB-CD1 4.04Å; Q362-I372 HydrophobicContact CG-CD1 4.41Å; Q362-I372 HydrophobicContact CG-CG2 3.86Å
363	P	93.1	Very high	94.2	Very high	87 Å²	87	47.1 Å²	47.1	57%	0.565	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-55.7	142.5	167	-23.9	33.9	0	0	0	111.8	R444	P363-R444 PolarHBondContact O-NH1 2.69Å; P363-R444 PolarHBondContact O-NH2 2.88Å
364	E	92.9	Very high	94.4	Very high	181 Å²	181	47 Å²	47	85%	0.846	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-52.6	155.2	174.6	-63.2	-179.1	164.3	0	0	112.3	R444	E364-R444 PolarHBondContact O-NH1 3.46Å
365	L	92.8	Very high	94.5	Very high	36 Å²	36	46.9 Å²	46.9	19%	0.188	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-69.4	135.6	177.4	-65.7	-176.1	0	0	0	111.6	D369 I372 C421 E422	L365-D369 HydrophobicContact CB-CB 4.44Å; L365-D369 HydrophobicContact CD2-CB 3.97Å; L365-I372 HydrophobicContact CD2-CD1 3.87Å; L365-I372 HydrophobicContact CD2-CG1 4.01Å; L365-C421 VanDerWaalsContact CD1-C 3.44Å; L365-E422 HydrophobicContact CD1-CB 4.43Å; L365-E422 HydrophobicContact CD1-CG 3.68Å; L365-E422 HydrophobicContact CG-CG 3.89Å
366	K	92.3	Very high	94.5	Very high	153 Å²	153	46.9 Å²	46.9	67%	0.665	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-95.9	161	169.4	-61.7	174.9	-175.1	172.8	0	110	G368 D369	K366-G368 PolarHBondContact O-N 3.38Å; K366-D369 PolarHBondContact N-OD2 3.42Å; K366-D369 VanDerWaalsContact O-CB 3.25Å; K366-D369 WeakPolarHBondContact O-CB 3.43Å; K366-D369 PolarHBondContact O-N 3.08Å
367	L	89.9	Confident	94.5	Very high	174 Å²	174	46.8 Å²	46.8	91%	0.911	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	125	174.4	-173.5	67.2	0	0	0	110.3
368	G	90.5	Very high	94.3	Very high	55 Å²	55	45.5 Å²	45.5	57%	0.567	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.4	-2.9	-175.2	0	0	0	0	0	115.3	K366 N441	K366-G368 PolarHBondContact O-N 3.38Å; G368-N441 PolarHBondContact O-ND2 3.26Å
369	D	93.5	Very high	93.9	Very high	40 Å²	40	46.4 Å²	46.4	21%	0.214	25%	0.25	C	C	.	.			trans	-68.3	142.7	169.7	-81	-14.6	0	0	0	111.4	L365 K366 R444	L365-D369 HydrophobicContact CB-CB 4.44Å; L365-D369 HydrophobicContact CD2-CB 3.97Å; K366-D369 PolarHBondContact N-OD2 3.42Å; K366-D369 VanDerWaalsContact O-CB 3.25Å; K366-D369 WeakPolarHBondContact O-CB 3.43Å; K366-D369 PolarHBondContact O-N 3.08Å; D369-R444 HydrophobicContact CB-CG 4.47Å; D369-R444 WeakPolarHBondContact OD2-CD 3.41Å; D369-R444 IonicContact OD2-CZ 2.68Å; D369-R444 IonicContact OD2-NE 3.94Å; D369-R444 IonicContact OD2-NH1 3.67Å; D369-R444 PolarHBondContact OD2-NH1 2.84Å
370	G	94.2	Very high	93.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.			trans	-83.2	177.4	167.9	0	0	0	0	0	113.3	N441	G370-N441 WeakPolarHBondContact CA-O 3.47Å
371	P	97.1	Very high	93.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.			trans	-62.3	156.4	178	25.6	-34.6	0	0	0	114	V374 C421 L424 T440 R444 V445	P371-V374 HydrophobicContact CB-CG2 4.3Å; P371-V374 HydrophobicContact CG-CG2 3.81Å; P371-C421 WeakPolarHBondContact CA-O 3.44Å; P371-C421 WeakPolarHBondContact CB-O 3.35Å; P371-L424 HydrophobicContact CB-CB 4Å; P371-L424 HydrophobicContact CG-CB 3.98Å; P371-L424 HydrophobicContact CG-CD2 4.1Å; P371-T440 WeakPolarHBondContact CD-OG1 3.29Å; P371-R444 CarbonylContact O-C 3.56Å; P371-V445 HydrophobicContact CG-CG2 4.05Å; P371-V445 WeakPolarHBondContact O-CA 3.42Å; P371-V445 WeakPolarHBondContact O-CG2 3.34Å; P371-V445 PolarHBondContact O-N 3.4Å; P371-V445 VanDerWaalsContact O-N 3.1Å
372	I	97.3	Very high	93	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.015	22%	0.22	C	C	.	.	S	Bend	trans	-93.5	-40.7	174.1	-64.1	163.9	0	0	0	109.5	I359 Q362 L365 E422 V445 T446 Y447	I359-I372 HydrophobicContact CG1-CB 4.06Å; I359-I372 HydrophobicContact CG1-CG2 3.75Å; I359-I372 HydrophobicContact CG2-CD1 4.26Å; Q362-I372 HydrophobicContact CB-CD1 4.04Å; Q362-I372 HydrophobicContact CG-CD1 4.41Å; Q362-I372 HydrophobicContact CG-CG2 3.86Å; L365-I372 HydrophobicContact CD2-CD1 3.87Å; L365-I372 HydrophobicContact CD2-CG1 4.01Å; I372-E422 HydrophobicContact CD1-CG 4.38Å; I372-E422 PolarHBondContact N-O 3.46Å; I372-V445 WeakPolarHBondContact O-CA 3.45Å; I372-T446 WeakPolarHBondContact CG2-OG1 3.42Å; I372-T446 PolarHBondContact O-N 3.42Å; I372-Y447 PolarHBondContact O-N 2.69Å
373	G	97.6	Very high	93	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.9	174.9	0	0	0	0	0	112.9	E422 I423 L424 Y447	G373-E422 PolarHBondContact N-O 3.18Å; G373-I423 WeakPolarHBondContact O-CA 3.17Å; G373-L424 PolarHBondContact O-N 3.34Å; G373-Y447 WeakPolarHBondContact CA-O 3.48Å
374	V	98.1	Very high	92.9	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.1	172	174.3	0	0	0	0	109.7	P371 L424 L431 L442 V445 Y447 L448 V449	P371-V374 HydrophobicContact CB-CG2 4.3Å; P371-V374 HydrophobicContact CG-CG2 3.81Å; V374-L424 WeakPolarHBondContact CA-O 3.27Å; V374-L424 HydrophobicContact CG2-CB 4.43Å; V374-L431 HydrophobicContact CG1-CD2 3.9Å; V374-L442 HydrophobicContact CG2-CD2 4.41Å; V374-V445 HydrophobicContact CB-CG1 4.13Å; V374-V445 HydrophobicContact CG2-CB 4.4Å; V374-V445 HydrophobicContact CG2-CG1 3.86Å; V374-V445 HydrophobicContact CG2-CG2 3.55Å; V374-Y447 PolarHBondContact N-O 2.92Å; V374-L448 HydrophobicContact CB-CD1 3.93Å; V374-L448 HydrophobicContact CG1-CD1 3.91Å; V374-L448 WeakPolarHBondContact O-CA 3.36Å; V374-V449 PolarHBondContact O-N 3.08Å
375	I	98.2	Very high	92.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	108.6	176	-57.6	157.9	0	0	0	109.1	F351 L352 L355 I386 I423 L424 V425 C426 V449	F351-I375 HydrophobicContact CD2-CD1 4.23Å; F351-I375 HydrophobicContact CE2-CD1 3.93Å; F351-I375 HydrophobicContact CE2-CG1 4.29Å; F351-I375 HydrophobicContact CE2-CG2 3.99Å; F351-I375 HydrophobicContact CZ-CG2 4.22Å; L352-I375 HydrophobicContact CD2-CD1 3.66Å; L355-I375 HydrophobicContact CD2-CD1 3.78Å; L355-I375 HydrophobicContact CD2-CG1 4.37Å; I375-I386 HydrophobicContact CD1-CG2 4.06Å; I375-I386 HydrophobicContact CG2-CD1 4.15Å; I375-I386 HydrophobicContact CG2-CG2 3.99Å; I375-I423 HydrophobicContact CD1-CG2 4.23Å; I375-L424 PolarHBondContact N-O 3.41Å; I375-V425 HydrophobicContact CB-CG2 4.47Å; I375-V425 HydrophobicContact CD1-CG2 4.23Å; I375-V425 CarbonylContact O-C 3.55Å; I375-V425 WeakPolarHBondContact O-CA 3.47Å; I375-C426 PolarHBondContact O-N 3.39Å; I375-V449 HydrophobicContact CB-CB 4.33Å; I375-V449 HydrophobicContact CG1-CB 4.03Å; I375-V449 HydrophobicContact CG1-CG2 4.04Å; I375-V449 HydrophobicContact CG2-CB 4.13Å; I375-V449 HydrophobicContact CG2-CG1 4.3Å
376	C	97.2	Very high	92.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135.3	174.5	-69.4	0	0	0	0	111	C426 P428 V449 F450 D451 M456	C376-C426 CarbonylContact C-O 3.53Å; C376-C426 VanDerWaalsContact CA-O 3.31Å; C376-C426 WeakPolarHBondContact CA-O 3.18Å; C376-P428 HydrophobicContact CB-CG 4.48Å; C376-V449 PolarHBondContact N-O 2.94Å; C376-F450 HydrophobicContact CB-CD1 3.62Å; C376-F450 HydrophobicContact CB-CE1 3.9Å; C376-D451 PolarHBondContact O-N 3.09Å; C376-M456 HydrophobicContact CB-CE 3.66Å; C376-M456 WeakPolarHBondContact O-CE 3.35Å
377	A	94.4	Very high	93	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.142	C	C	.	.			trans	-133.5	145.3	173.1	0	0	0	0	0	111.3	T379 L382 A383 I386 C426 T427 P428	A377-T379 VanDerWaalsContact C-N 3.28Å; A377-T379 PolarHBondContact O-N 3.48Å; A377-L382 HydrophobicContact CB-CB 4.32Å; A377-L382 HydrophobicContact CB-CD2 4.05Å; A377-L382 HydrophobicContact CB-CG 3.98Å; A377-A383 HydrophobicContact CB-CB 4.31Å; A377-I386 HydrophobicContact CB-CD1 4.1Å; A377-C426 PolarHBondContact N-O 3.21Å; A377-T427 WeakPolarHBondContact O-CA 3.5Å; A377-P428 WeakPolarHBondContact O-CD 3.28Å
378	P	90.4	Very high	93.3	Very high	5 Å²	5	20 Å²	20	3%	0.032	12%	0.115	C	C	.	.	S	Bend	trans	-68	-16.7	-175.4	24.2	-36.6	0	0	0	115.7	L382 D451 E452 K455 M456 L459 F461	P378-L382 HydrophobicContact CG-CD2 4.4Å; P378-D451 WeakPolarHBondContact CD-O 3.4Å; P378-E452 HydrophobicContact CG-CB 3.67Å; P378-K455 HydrophobicContact CB-CB 4.44Å; P378-K455 HydrophobicContact CB-CD 4.44Å; P378-K455 HydrophobicContact CB-CG 4.07Å; P378-K455 HydrophobicContact CG-CB 4.17Å; P378-K455 HydrophobicContact CG-CD 3.99Å; P378-K455 HydrophobicContact CG-CG 4.02Å; P378-M456 HydrophobicContact CB-CG 3.82Å; P378-M456 HydrophobicContact CG-CG 4.32Å; P378-L459 HydrophobicContact CB-CD1 3.86Å; P378-F461 WeakPolarHBondContact O-CE2 2.97Å
379	T	87.9	Confident	93.4	Very high	19 Å²	19	20.6 Å²	20.6	12%	0.117	10%	0.103	C	C	.	.	S	Bend	trans	-141.7	142.1	-171.3	43.4	0	0	0	0	111.5	A377 E381 L382 A383 K455 L459	A377-T379 VanDerWaalsContact C-N 3.28Å; A377-T379 PolarHBondContact O-N 3.48Å; T379-E381 PolarHBondContact O-N 3.33Å; T379-L382 PolarHBondContact O-N 3.48Å; T379-L382 VanDerWaalsContact O-N 3.12Å; T379-A383 PolarHBondContact O-N 3.11Å; T379-K455 PolarHBondContact OG1-NZ 2.86Å; T379-L459 HydrophobicContact CG2-CD1 4.41Å
380	R	88.9	Confident	93.5	Very high	43 Å²	43	18.7 Å²	18.7	16%	0.162	9%	0.093	C	C	.	.	H	α-helix	trans	-50.1	-43.2	177.6	168.1	175.6	-176.6	161.7	5.7	112.7	A383 L384 Y405 G407	R380-A383 PolarHBondContact O-N 2.88Å; R380-L384 HydrophobicContact CG-CD1 3.98Å; R380-L384 WeakPolarHBondContact O-CB 3.44Å; R380-L384 WeakPolarHBondContact O-CG 3.44Å; R380-L384 PolarHBondContact O-N 3.43Å; R380-Y405 HydrophobicContact CB-CD2 4.35Å; R380-Y405 HydrophobicContact CB-CG 4.18Å; R380-Y405 HydrophobicContact CG-CD1 4.1Å; R380-Y405 HydrophobicContact CG-CD2 3.61Å; R380-Y405 HydrophobicContact CG-CE1 4.4Å; R380-Y405 HydrophobicContact CG-CE2 3.99Å; R380-Y405 HydrophobicContact CG-CG 3.68Å; R380-Y405 VanDerWaalsContact NH2-CE2 3.33Å; R380-Y405 PolarHBondContact NH2-OH 3.36Å; R380-G407 PolarHBondContact NH1-O 2.97Å
381	E	85.7	Confident	93.5	Very high	36 Å²	36	23.9 Å²	23.9	17%	0.168	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-42.5	-177.4	-65.7	73.1	-165.6	0	0	111.4	T379 L384 Q385 Q578 R581	T379-E381 PolarHBondContact O-N 3.33Å; E381-L384 PolarHBondContact O-N 3.44Å; E381-Q385 PolarHBondContact O-N 2.84Å; E381-Q578 PolarHBondContact OE1-NE2 3.31Å; E381-R581 IonicContact OE1-NH1 2.69Å; E381-R581 IonicContact OE1-NH2 3.49Å
382	L	88.3	Confident	93.3	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.063	14%	0.14	C	C	.	.	H	α-helix	trans	-71.3	-40.5	175.7	-179.6	59.6	0	0	0	111.7	A377 P378 T379 L384 Q385 I386 E452	A377-L382 HydrophobicContact CB-CB 4.32Å; A377-L382 HydrophobicContact CB-CD2 4.05Å; A377-L382 HydrophobicContact CB-CG 3.98Å; P378-L382 HydrophobicContact CG-CD2 4.4Å; T379-L382 PolarHBondContact O-N 3.48Å; T379-L382 VanDerWaalsContact O-N 3.12Å; L382-L384 VanDerWaalsContact C-N 3.3Å; L382-L384 PolarHBondContact O-N 3.01Å; L382-Q385 WeakPolarHBondContact O-CB 3.17Å; L382-Q385 PolarHBondContact O-N 3.5Å; L382-Q385 VanDerWaalsContact O-N 3.16Å; L382-I386 HydrophobicContact CD1-CD1 4.11Å; L382-I386 HydrophobicContact CD1-CG1 4.16Å; L382-I386 HydrophobicContact CG-CD1 3.95Å; L382-I386 HydrophobicContact CG-CG1 4.43Å; L382-I386 WeakPolarHBondContact O-CG1 3.41Å; L382-I386 PolarHBondContact O-N 3.01Å; L382-E452 HydrophobicContact CD2-CB 4.14Å; L382-E452 VanDerWaalsContact CD2-CD 3.42Å; L382-E452 HydrophobicContact CD2-CG 3.72Å; L382-E452 VanDerWaalsContact CD2-OE2 3.28Å; L382-E452 WeakPolarHBondContact CD2-OE2 3.49Å
383	A	91.8	Very high	93.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59	-42.7	173.7	0	0	0	0	0	111.4	A377 T379 R380 Y387 V425	A377-A383 HydrophobicContact CB-CB 4.31Å; T379-A383 PolarHBondContact O-N 3.11Å; R380-A383 PolarHBondContact O-N 2.88Å; A383-Y387 WeakPolarHBondContact O-CB 3.3Å; A383-Y387 PolarHBondContact O-N 2.89Å; A383-V425 HydrophobicContact CB-CG1 4.24Å; A383-V425 VanDerWaalsContact O-CG1 3.27Å; A383-V425 WeakPolarHBondContact O-CG1 3.36Å
384	L	91.3	Very high	92.9	Very high	54 Å²	54	30.3 Å²	30.3	28%	0.283	14%	0.144	S	C	.	.	H	α-helix	trans	-64.8	-36.6	174.1	-80.5	169.4	0	0	0	113.2	R380 E381 L382 S388 Y405	R380-L384 HydrophobicContact CG-CD1 3.98Å; R380-L384 WeakPolarHBondContact O-CB 3.44Å; R380-L384 WeakPolarHBondContact O-CG 3.44Å; R380-L384 PolarHBondContact O-N 3.43Å; E381-L384 PolarHBondContact O-N 3.44Å; L382-L384 VanDerWaalsContact C-N 3.3Å; L382-L384 PolarHBondContact O-N 3.01Å; L384-S388 WeakPolarHBondContact O-CB 3.49Å; L384-S388 PolarHBondContact O-N 3.2Å; L384-Y405 HydrophobicContact CD1-CE1 4.07Å; L384-Y405 HydrophobicContact CD2-CE1 3.57Å; L384-Y405 HydrophobicContact CG-CD1 4.26Å; L384-Y405 HydrophobicContact CG-CE1 3.66Å
385	Q	90.2	Very high	92.7	Very high	53 Å²	53	38.2 Å²	38.2	25%	0.248	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-53.9	174.1	172.6	167.8	-0.8	0	0	111.3	E381 L382 Y387 S388 E389 D607	E381-Q385 PolarHBondContact O-N 2.84Å; L382-Q385 WeakPolarHBondContact O-CB 3.17Å; L382-Q385 PolarHBondContact O-N 3.5Å; L382-Q385 VanDerWaalsContact O-N 3.16Å; Q385-Y387 VanDerWaalsContact C-N 3.31Å; Q385-Y387 PolarHBondContact O-N 2.95Å; Q385-S388 PolarHBondContact O-N 3.23Å; Q385-S388 PolarHBondContact O-OG 3.11Å; Q385-E389 PolarHBondContact O-N 3.09Å; Q385-E389 VanDerWaalsContact O-N 3.14Å; Q385-D607 PolarHBondContact NE2-OD2 2.84Å
386	I	94.9	Very high	92.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-43.9	178.1	-63.9	168.4	0	0	0	110.2	T348 F351 I375 A377 L382 S388 E389 A390 V425 D451	T348-I386 HydrophobicContact CG2-CG1 3.97Å; T348-I386 HydrophobicContact CG2-CG2 4.44Å; F351-I386 HydrophobicContact CE2-CG2 4.22Å; F351-I386 HydrophobicContact CZ-CD1 4.33Å; I375-I386 HydrophobicContact CD1-CG2 4.06Å; I375-I386 HydrophobicContact CG2-CD1 4.15Å; I375-I386 HydrophobicContact CG2-CG2 3.99Å; A377-I386 HydrophobicContact CB-CD1 4.1Å; L382-I386 HydrophobicContact CD1-CD1 4.11Å; L382-I386 HydrophobicContact CD1-CG1 4.16Å; L382-I386 HydrophobicContact CG-CD1 3.95Å; L382-I386 HydrophobicContact CG-CG1 4.43Å; L382-I386 WeakPolarHBondContact O-CG1 3.41Å; L382-I386 PolarHBondContact O-N 3.01Å; I386-S388 VanDerWaalsContact C-N 3.3Å; I386-S388 PolarHBondContact O-N 3.23Å; I386-E389 PolarHBondContact O-N 3.33Å; I386-A390 VanDerWaalsContact O-CB 3.28Å; I386-A390 WeakPolarHBondContact O-CB 3.35Å; I386-A390 PolarHBondContact O-N 2.84Å; I386-V425 HydrophobicContact CB-CG1 3.86Å; I386-V425 HydrophobicContact CG2-CG1 3.77Å; I386-V425 HydrophobicContact CG2-CG2 4.14Å; I386-D451 HydrophobicContact CD1-CB 4.31Å
387	Y	96.1	Very high	92.2	Very high	50 Å²	50	43 Å²	43	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-54.6	-44.5	173	171.6	-102	0	0	0	112.4	A383 Q385 E389 K391 V401 C403	A383-Y387 WeakPolarHBondContact O-CB 3.3Å; A383-Y387 PolarHBondContact O-N 2.89Å; Q385-Y387 VanDerWaalsContact C-N 3.31Å; Q385-Y387 PolarHBondContact O-N 2.95Å; Y387-E389 VanDerWaalsContact C-N 3.35Å; Y387-E389 PolarHBondContact O-N 3.4Å; Y387-K391 HydrophobicContact CE1-CD 3.95Å; Y387-K391 WeakPolarHBondContact O-CB 3.48Å; Y387-K391 PolarHBondContact O-N 3.01Å; Y387-K391 PolarHBondContact OH-NZ 3.1Å; Y387-V401 HydrophobicContact CD2-CB 4.29Å; Y387-V401 HydrophobicContact CD2-CG1 3.59Å; Y387-V401 HydrophobicContact CE2-CB 4.06Å; Y387-V401 HydrophobicContact CE2-CG1 3.86Å; Y387-V401 WeakPolarHBondContact CE2-O 3.23Å; Y387-C403 HydrophobicContact CD1-CB 4.32Å; Y387-C403 HydrophobicContact CD2-CB 3.52Å; Y387-C403 HydrophobicContact CE2-CB 4.02Å; Y387-C403 HydrophobicContact CG-CB 3.67Å
388	S	94.6	Very high	92.2	Very high	50 Å²	50	50 Å²	50	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-66.7	-34.5	-178.6	77.7	0	0	0	0	112.9	L384 Q385 I386 K392	L384-S388 WeakPolarHBondContact O-CB 3.49Å; L384-S388 PolarHBondContact O-N 3.2Å; Q385-S388 PolarHBondContact O-N 3.23Å; Q385-S388 PolarHBondContact O-OG 3.11Å; I386-S388 VanDerWaalsContact C-N 3.3Å; I386-S388 PolarHBondContact O-N 3.23Å; S388-K392 WeakPolarHBondContact O-CE 3.46Å; S388-K392 WeakPolarHBondContact O-CG 3.39Å
389	E	93.1	Very high	92.4	Very high	66 Å²	66	50.9 Å²	50.9	31%	0.308	25%	0.246	S	C	.	.	H	α-helix	trans	-76	-46.8	174.2	-62.8	-52.9	147.5	0	0	111.8	L352 Q385 I386 Y387 K391 K392 L393	L352-E389 HydrophobicContact CD1-CB 3.85Å; Q385-E389 PolarHBondContact O-N 3.09Å; Q385-E389 VanDerWaalsContact O-N 3.14Å; I386-E389 PolarHBondContact O-N 3.33Å; Y387-E389 VanDerWaalsContact C-N 3.35Å; Y387-E389 PolarHBondContact O-N 3.4Å; E389-K391 VanDerWaalsContact C-N 3.26Å; E389-K391 PolarHBondContact O-N 2.88Å; E389-K392 WeakPolarHBondContact O-CB 3.44Å; E389-K392 PolarHBondContact O-N 3.39Å; E389-K392 IonicContact OE1-NZ 3.97Å; E389-K392 PolarHBondContact OE1-NZ 2.9Å; E389-K392 WeakPolarHBondContact OE2-CD 3.34Å; E389-K392 WeakPolarHBondContact OE2-CE 3.45Å; E389-K392 IonicContact OE2-NZ 3.9Å; E389-K392 PolarHBondContact OE2-NZ 3.37Å; E389-L393 PolarHBondContact O-N 3.48Å
390	A	96.1	Very high	92.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-54.3	-44.2	175.6	0	0	0	0	0	111.2	L352 I386 K392 L393 A394 V401	L352-A390 HydrophobicContact CD1-CB 4.28Å; L352-A390 HydrophobicContact CD2-CB 3.77Å; I386-A390 VanDerWaalsContact O-CB 3.28Å; I386-A390 WeakPolarHBondContact O-CB 3.35Å; I386-A390 PolarHBondContact O-N 2.84Å; A390-K392 VanDerWaalsContact C-N 3.33Å; A390-K392 PolarHBondContact O-N 3.42Å; A390-L393 PolarHBondContact O-N 2.89Å; A390-A394 WeakPolarHBondContact O-CB 3.38Å; A390-A394 PolarHBondContact O-N 3.42Å; A390-V401 HydrophobicContact CB-CG1 4.02Å; A390-V401 HydrophobicContact CB-CG2 4.45Å
391	K	95.2	Very high	93.2	Very high	109 Å²	109	51.7 Å²	51.7	47%	0.474	26%	0.256	S	S	.	.	H	α-helix	trans	-64.6	-30.1	178.6	-170.5	172.8	-166.6	166.8	0	113.9	Y387 E389 K395	Y387-K391 HydrophobicContact CE1-CD 3.95Å; Y387-K391 WeakPolarHBondContact O-CB 3.48Å; Y387-K391 PolarHBondContact O-N 3.01Å; Y387-K391 PolarHBondContact OH-NZ 3.1Å; E389-K391 VanDerWaalsContact C-N 3.26Å; E389-K391 PolarHBondContact O-N 2.88Å; K391-K395 VanDerWaalsContact O-CB 3.29Å; K391-K395 WeakPolarHBondContact O-CB 3.44Å; K391-K395 PolarHBondContact O-N 3.01Å
392	K	92.7	Very high	93.7	Very high	118 Å²	118	50.4 Å²	50.4	51%	0.513	25%	0.251	S	S	.	.	H	α-helix	trans	-67.8	-44.3	174.6	-68	170.3	-152	169.3	0	110.9	S388 E389 A390	S388-K392 WeakPolarHBondContact O-CE 3.46Å; S388-K392 WeakPolarHBondContact O-CG 3.39Å; E389-K392 WeakPolarHBondContact O-CB 3.44Å; E389-K392 PolarHBondContact O-N 3.39Å; E389-K392 IonicContact OE1-NZ 3.97Å; E389-K392 PolarHBondContact OE1-NZ 2.9Å; E389-K392 WeakPolarHBondContact OE2-CD 3.34Å; E389-K392 WeakPolarHBondContact OE2-CE 3.45Å; E389-K392 IonicContact OE2-NZ 3.9Å; E389-K392 PolarHBondContact OE2-NZ 3.37Å; A390-K392 VanDerWaalsContact C-N 3.33Å; A390-K392 PolarHBondContact O-N 3.42Å
393	L	92.9	Very high	94.1	Very high	19 Å²	19	50.6 Å²	50.6	10%	0.099	25%	0.252	C	S	.	.	H	α-helix	trans	-71	-53.6	179.7	-61.6	172.5	0	0	0	111	L308 A311 L352 I356 E389 A390 K395 V396	L308-L393 HydrophobicContact CD1-CD2 4.1Å; A311-L393 HydrophobicContact CB-CD2 3.93Å; L352-L393 HydrophobicContact CB-CD1 3.84Å; L352-L393 HydrophobicContact CD1-CD1 4.35Å; I356-L393 HydrophobicContact CD1-CB 4.24Å; I356-L393 HydrophobicContact CG1-CB 4.25Å; E389-L393 PolarHBondContact O-N 3.48Å; A390-L393 PolarHBondContact O-N 2.89Å; L393-K395 PolarHBondContact O-N 2.86Å; L393-K395 VanDerWaalsContact O-N 3.15Å; L393-V396 WeakPolarHBondContact O-CB 3.29Å; L393-V396 PolarHBondContact O-N 3.36Å
394	A	93.4	Very high	94.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-54	-35.5	179.9	0	0	0	0	0	113.7	I356 A390 V396 Y397 N398 L399 V401	I356-A394 HydrophobicContact CD1-CB 4.42Å; A390-A394 WeakPolarHBondContact O-CB 3.38Å; A390-A394 PolarHBondContact O-N 3.42Å; A394-V396 PolarHBondContact O-N 2.98Å; A394-Y397 CarbonylContact O-C 3.51Å; A394-Y397 PolarHBondContact O-N 3Å; A394-N398 PolarHBondContact O-N 2.62Å; A394-N398 VanDerWaalsContact O-N 3.1Å; A394-L399 HydrophobicContact CB-CB 3.94Å; A394-L399 PolarHBondContact O-N 2.65Å; A394-V401 HydrophobicContact CB-CG2 3.32Å
395	K	92.7	Very high	94.4	Very high	167 Å²	167	49.7 Å²	49.7	73%	0.726	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-28.6	176.7	-176.5	179.8	178.3	-172	0	113.3	K391 L393 Y397	K391-K395 VanDerWaalsContact O-CB 3.29Å; K391-K395 WeakPolarHBondContact O-CB 3.44Å; K391-K395 PolarHBondContact O-N 3.01Å; L393-K395 PolarHBondContact O-N 2.86Å; L393-K395 VanDerWaalsContact O-N 3.15Å; K395-Y397 PolarHBondContact O-N 3.12Å
396	V	92.6	Very high	94.2	Very high	69 Å²	69	49 Å²	49	42%	0.418	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-29.8	177.4	-177.3	0	0	0	0	111.2	P307 L393 A394	P307-V396 HydrophobicContact CB-CG1 3.43Å; P307-V396 VanDerWaalsContact CB-CG1 3.43Å; L393-V396 WeakPolarHBondContact O-CB 3.29Å; L393-V396 PolarHBondContact O-N 3.36Å; A394-V396 PolarHBondContact O-N 2.98Å
397	Y	93.6	Very high	93.4	Very high	32 Å²	32	52.3 Å²	52.3	13%	0.125	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	4.7	-175.6	-64.1	-87.7	0	0	0	113.5	D305 L308 I356 M360 A394 K395 L399	D305-Y397 PolarHBondContact OD1-OH 3.23Å; D305-Y397 VanDerWaalsContact OD2-CE1 3.26Å; D305-Y397 WeakPolarHBondContact OD2-CE1 3.49Å; D305-Y397 PolarHBondContact OD2-OH 2.99Å; L308-Y397 WeakPolarHBondContact CB-OH 3.42Å; L308-Y397 PolarHBondContact N-OH 3.24Å; L308-Y397 VanDerWaalsContact N-OH 3.08Å; I356-Y397 HydrophobicContact CG2-CD1 4.25Å; I356-Y397 HydrophobicContact CG2-CD2 3.52Å; I356-Y397 HydrophobicContact CG2-CE1 4.24Å; I356-Y397 HydrophobicContact CG2-CE2 3.54Å; I356-Y397 HydrophobicContact CG2-CG 3.92Å; M360-Y397 HydrophobicContact CE-CD1 4.06Å; M360-Y397 HydrophobicContact CG-CD1 3.76Å; M360-Y397 HydrophobicContact CG-CE1 4.29Å; M360-Y397 HydrophobicContact CG-CG 4.39Å; M360-Y397 HydrophobicContact SD-CD1 3.64Å; M360-Y397 HydrophobicContact SD-CG 4.1Å; A394-Y397 CarbonylContact O-C 3.51Å; A394-Y397 PolarHBondContact O-N 3Å; K395-Y397 PolarHBondContact O-N 3.12Å; Y397-L399 PolarHBondContact O-N 2.72Å
398	N	93.6	Very high	92.6	Very high	146 Å²	146	50.7 Å²	50.7	78%	0.781	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	23.7	-170.9	-54.2	-56.7	0	0	0	114.9	A394	A394-N398 PolarHBondContact O-N 2.62Å; A394-N398 VanDerWaalsContact O-N 3.1Å
399	L	95.8	Very high	92.4	Very high	25 Å²	25	51 Å²	51	13%	0.131	29%	0.287	C	S	.	.			trans	-78.9	144	178.6	-57.2	174	0	0	0	111.4	I356 I359 M360 A394 Y397 E422	I356-L399 HydrophobicContact CD1-CD1 3.94Å; I359-L399 HydrophobicContact CB-CD1 4.33Å; I359-L399 HydrophobicContact CG2-CD1 3.82Å; I359-L399 HydrophobicContact CG2-CD2 3.72Å; I359-L399 HydrophobicContact CG2-CG 4.41Å; M360-L399 HydrophobicContact SD-CD1 4.38Å; M360-L399 HydrophobicContact SD-CD2 4.24Å; A394-L399 HydrophobicContact CB-CB 3.94Å; A394-L399 PolarHBondContact O-N 2.65Å; Y397-L399 PolarHBondContact O-N 2.72Å; L399-E422 HydrophobicContact CD2-CB 4.48Å; L399-E422 HydrophobicContact CD2-CG 4.02Å
400	T	95.8	Very high	92.2	Very high	65 Å²	65	49.8 Å²	49.8	40%	0.399	28%	0.283	S	S	.	.			trans	-92.2	121.9	179.5	-58	0	0	0	0	110.7	V402 C421 E422 I423	T400-V402 HydrophobicContact CG2-CG2 4.42Å; T400-C421 HydrophobicContact CG2-CB 4.14Å; T400-E422 WeakPolarHBondContact CA-OE2 3.31Å; T400-E422 VanDerWaalsContact CB-OE2 3.24Å; T400-E422 WeakPolarHBondContact CB-OE2 3.3Å; T400-E422 PolarHBondContact N-OE2 2.98Å; T400-E422 PolarHBondContact O-N 3.07Å; T400-I423 PolarHBondContact O-N 3.29Å
401	V	97.1	Very high	92.1	Very high	13 Å²	13	57.9 Å²	57.9	8%	0.079	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.9	175	-166.3	0	0	0	0	109	Y387 A390 A394 I423 V425	Y387-V401 HydrophobicContact CD2-CB 4.29Å; Y387-V401 HydrophobicContact CD2-CG1 3.59Å; Y387-V401 HydrophobicContact CE2-CB 4.06Å; Y387-V401 HydrophobicContact CE2-CG1 3.86Å; Y387-V401 WeakPolarHBondContact CE2-O 3.23Å; A390-V401 HydrophobicContact CB-CG1 4.02Å; A390-V401 HydrophobicContact CB-CG2 4.45Å; A394-V401 HydrophobicContact CB-CG2 3.32Å; V401-I423 WeakPolarHBondContact CA-O 3.19Å; V401-I423 HydrophobicContact CB-CB 4.49Å; V401-I423 HydrophobicContact CG1-CB 4.08Å; V401-I423 HydrophobicContact CG1-CG2 3.99Å; V401-I423 HydrophobicContact CG2-CB 4.24Å; V401-I423 HydrophobicContact CG2-CD1 4.31Å; V401-V425 HydrophobicContact CG1-CG2 4.22Å
402	V	96.4	Very high	92	Very high	10 Å²	10	58.4 Å²	58.4	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.8	174	175.2	0	0	0	0	110.1	T400 A416 C421 I423 L424 V425	T400-V402 HydrophobicContact CG2-CG2 4.42Å; V402-A416 HydrophobicContact CG1-CB 3.95Å; V402-A416 HydrophobicContact CG2-CB 3.97Å; V402-C421 HydrophobicContact CB-CB 4Å; V402-C421 HydrophobicContact CG2-CB 3.45Å; V402-C421 VanDerWaalsContact CG2-CB 3.45Å; V402-I423 PolarHBondContact N-O 2.89Å; V402-L424 HydrophobicContact CB-CD1 4.05Å; V402-L424 HydrophobicContact CG1-CD1 3.93Å; V402-V425 PolarHBondContact O-N 3.19Å
403	C	96.4	Very high	92	Very high	15 Å²	15	53.4 Å²	53.4	10%	0.101	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.3	175.2	-161.8	0	0	0	0	111.1	Y387 Y405 V425	Y387-C403 HydrophobicContact CD1-CB 4.32Å; Y387-C403 HydrophobicContact CD2-CB 3.52Å; Y387-C403 HydrophobicContact CE2-CB 4.02Å; Y387-C403 HydrophobicContact CG-CB 3.67Å; C403-Y405 HydrophobicContact CB-CE1 4.36Å; C403-Y405 VanDerWaalsContact SG-CD1 3.58Å; C403-V425 CarbonylContact C-O 3.56Å; C403-V425 WeakPolarHBondContact CA-O 3.38Å; C403-V425 PolarHBondContact SG-O 3.47Å; C403-V425 VanDerWaalsContact SG-O 3.37Å
404	A	95.5	Very high	92.1	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	109	-173.9	0	0	0	0	0	112	L424 V425 C426 T427 R430 I434	A404-L424 HydrophobicContact CB-CD1 3.95Å; A404-V425 PolarHBondContact N-O 3.24Å; A404-C426 HydrophobicContact CB-CB 4.05Å; A404-C426 CarbonylContact O-C 3.16Å; A404-C426 WeakPolarHBondContact O-CA 3.31Å; A404-C426 WeakPolarHBondContact O-CB 3.39Å; A404-T427 PolarHBondContact O-N 3.49Å; A404-R430 HydrophobicContact CB-CG 4.09Å; A404-I434 HydrophobicContact CB-CD1 3.64Å
405	Y	93.5	Very high	92.1	Very high	36 Å²	36	59.5 Å²	59.5	14%	0.141	32%	0.322	C	S	.	.			trans	-144.5	157.5	-177.7	54.3	-107.7	0	0	0	113.3	R380 L384 C403 Q413 T427 R430	R380-Y405 HydrophobicContact CB-CD2 4.35Å; R380-Y405 HydrophobicContact CB-CG 4.18Å; R380-Y405 HydrophobicContact CG-CD1 4.1Å; R380-Y405 HydrophobicContact CG-CD2 3.61Å; R380-Y405 HydrophobicContact CG-CE1 4.4Å; R380-Y405 HydrophobicContact CG-CE2 3.99Å; R380-Y405 HydrophobicContact CG-CG 3.68Å; R380-Y405 VanDerWaalsContact NH2-CE2 3.33Å; R380-Y405 PolarHBondContact NH2-OH 3.36Å; L384-Y405 HydrophobicContact CD1-CE1 4.07Å; L384-Y405 HydrophobicContact CD2-CE1 3.57Å; L384-Y405 HydrophobicContact CG-CD1 4.26Å; L384-Y405 HydrophobicContact CG-CE1 3.66Å; C403-Y405 HydrophobicContact CB-CE1 4.36Å; C403-Y405 VanDerWaalsContact SG-CD1 3.58Å; Y405-Q413 PolarHBondContact O-NE2 3.19Å; Y405-Q413 VanDerWaalsContact O-NE2 3.1Å; Y405-Q413 PolarHBondContact O-OE1 3.14Å; Y405-T427 WeakPolarHBondContact CA-OG1 3.43Å; Y405-R430 PolarHBondContact O-NH1 3.09Å
406	G	85.5	Confident	92.1	Very high	38 Å²	38	53.3 Å²	53.3	39%	0.392	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	150.5	174.7	0	0	0	0	0	114.4	G408	G406-G408 PolarHBondContact O-N 3.04Å
407	G	79.2	Confident	92.2	Very high	69 Å²	69	50.1 Å²	50.1	71%	0.711	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	14	-175.8	0	0	0	0	0	114.6	R380	R380-G407 PolarHBondContact NH1-O 2.97Å
408	G	79.2	Confident	92.2	Very high	16 Å²	16	53.3 Å²	53.3	17%	0.165	30%	0.299	C	S	.	.	S	Bend	trans	-115.4	156.7	162.9	0	0	0	0	0	110.5	G406 L410 R430	G406-G408 PolarHBondContact O-N 3.04Å; G408-L410 PolarHBondContact O-N 3.4Å; G408-L410 VanDerWaalsContact O-N 3.09Å; G408-R430 PolarHBondContact O-NH1 3.34Å; G408-R430 PolarHBondContact O-NH2 3.19Å
409	S	89.4	Confident	92.2	Very high	57 Å²	57	50.4 Å²	50.4	40%	0.399	30%	0.295	S	S	.	.			trans	-40.2	108.7	170.4	35.5	0	0	0	0	111.9	E412 Q413	S409-E412 WeakPolarHBondContact CB-OE2 3.3Å; S409-E412 PolarHBondContact OG-OE2 3.49Å; S409-Q413 WeakPolarHBondContact O-CG 3.35Å; S409-Q413 PolarHBondContact O-N 2.77Å
410	L	90.8	Very high	91.9	Very high	41 Å²	41	50 Å²	50	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-44.7	178.8	179.1	61.2	0	0	0	110.6	G408 E412 Q413 Q414 I434 K437	G408-L410 PolarHBondContact O-N 3.4Å; G408-L410 VanDerWaalsContact O-N 3.09Å; L410-E412 PolarHBondContact O-N 2.85Å; L410-Q413 PolarHBondContact O-N 2.91Å; L410-Q413 VanDerWaalsContact O-N 3.13Å; L410-Q414 HydrophobicContact CD1-CG 4.21Å; L410-Q414 HydrophobicContact CG-CG 4.25Å; L410-Q414 WeakPolarHBondContact O-CG 3.31Å; L410-Q414 PolarHBondContact O-N 3.16Å; L410-I434 HydrophobicContact CD1-CG1 3.89Å; L410-K437 HydrophobicContact CD2-CD 4.09Å
411	W	92.5	Very high	91.9	Very high	171 Å²	171	47 Å²	47	65%	0.648	28%	0.278	S	S	*	.	H	α-helix	trans	-57.2	-43	179.8	-177	88.1	0	0	0	113.7	Q414 K415	W411-Q414 PolarHBondContact O-N 2.75Å; W411-K415 HydrophobicContact CH2-CD 3.81Å; W411-K415 HydrophobicContact CZ2-CD 4.04Å; W411-K415 HydrophobicContact CZ3-CD 4.17Å; W411-K415 WeakPolarHBondContact O-CB 3.21Å; W411-K415 PolarHBondContact O-N 3Å
412	E	93.1	Very high	91.9	Very high	120 Å²	120	47.9 Å²	47.9	56%	0.561	28%	0.281	S	S	*	.	H	α-helix	trans	-67	-37.9	177.7	-65.2	-176.1	143.9	0	0	111.7	S409 L410 A416	S409-E412 WeakPolarHBondContact CB-OE2 3.3Å; S409-E412 PolarHBondContact OG-OE2 3.49Å; L410-E412 PolarHBondContact O-N 2.85Å; E412-A416 VanDerWaalsContact O-CB 3.28Å; E412-A416 WeakPolarHBondContact O-CB 3.27Å; E412-A416 PolarHBondContact O-N 3.47Å
413	Q	93.3	Very high	91.9	Very high	13 Å²	13	47.4 Å²	47.4	6%	0.061	28%	0.279	C	S	.	.	H	α-helix	trans	-69.5	-40.4	176.5	-65.7	172.9	18.6	0	0	111.5	Y405 S409 L410 A416 C417 R430 I434	Y405-Q413 PolarHBondContact O-NE2 3.19Å; Y405-Q413 VanDerWaalsContact O-NE2 3.1Å; Y405-Q413 PolarHBondContact O-OE1 3.14Å; S409-Q413 WeakPolarHBondContact O-CG 3.35Å; S409-Q413 PolarHBondContact O-N 2.77Å; L410-Q413 PolarHBondContact O-N 2.91Å; L410-Q413 VanDerWaalsContact O-N 3.13Å; Q413-A416 PolarHBondContact O-N 3.01Å; Q413-C417 PolarHBondContact O-N 3.37Å; Q413-C417 PolarHBondContact O-SG 2.99Å; Q413-C417 VanDerWaalsContact O-SG 3.35Å; Q413-R430 VanDerWaalsContact CD-NH1 3.33Å; Q413-R430 VanDerWaalsContact OE1-CG 3.26Å; Q413-I434 HydrophobicContact CB-CD1 3.96Å
414	Q	93.9	Very high	92	Very high	30 Å²	30	46.7 Å²	46.7	14%	0.14	27%	0.274	C	S	.	.	H	α-helix	trans	-58.7	-54.8	173.1	-75.2	-178.7	-87.5	0	0	111	L410 W411 A416 C417 E418 I434 S439	L410-Q414 HydrophobicContact CD1-CG 4.21Å; L410-Q414 HydrophobicContact CG-CG 4.25Å; L410-Q414 WeakPolarHBondContact O-CG 3.31Å; L410-Q414 PolarHBondContact O-N 3.16Å; W411-Q414 PolarHBondContact O-N 2.75Å; Q414-A416 VanDerWaalsContact C-N 3.26Å; Q414-A416 PolarHBondContact O-N 2.97Å; Q414-C417 WeakPolarHBondContact O-CB 3.4Å; Q414-C417 PolarHBondContact O-N 3.24Å; Q414-E418 WeakPolarHBondContact O-CG 3.35Å; Q414-E418 PolarHBondContact O-N 3.33Å; Q414-I434 HydrophobicContact CG-CG1 4.37Å; Q414-S439 WeakPolarHBondContact CB-OG 3.38Å; Q414-S439 WeakPolarHBondContact CG-OG 3.31Å; Q414-S439 PolarHBondContact NE2-OG 3.31Å
415	K	94.1	Very high	92.1	Very high	117 Å²	117	46.7 Å²	46.7	51%	0.509	27%	0.274	S	S	.	.	H	α-helix	trans	-59.9	-34.8	179.7	-173.3	173.1	-176	172	0	113	W411 A419	W411-K415 HydrophobicContact CH2-CD 3.81Å; W411-K415 HydrophobicContact CZ2-CD 4.04Å; W411-K415 HydrophobicContact CZ3-CD 4.17Å; W411-K415 WeakPolarHBondContact O-CB 3.21Å; W411-K415 PolarHBondContact O-N 3Å; K415-A419 PolarHBondContact O-N 3.41Å
416	A	93.7	Very high	92.3	Very high	36 Å²	36	45 Å²	45	30%	0.298	27%	0.267	S	S	.	.	H	α-helix	trans	-68.9	-35.8	174.6	0	0	0	0	0	112.7	V402 E412 Q413 Q414	V402-A416 HydrophobicContact CG1-CB 3.95Å; V402-A416 HydrophobicContact CG2-CB 3.97Å; E412-A416 VanDerWaalsContact O-CB 3.28Å; E412-A416 WeakPolarHBondContact O-CB 3.27Å; E412-A416 PolarHBondContact O-N 3.47Å; Q413-A416 PolarHBondContact O-N 3.01Å; Q414-A416 VanDerWaalsContact C-N 3.26Å; Q414-A416 PolarHBondContact O-N 2.97Å
417	C	94	Very high	92.7	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-73.7	-38.3	173.6	-69.3	0	0	0	0	112.8	Q413 Q414 A419 G420 I434	Q413-C417 PolarHBondContact O-N 3.37Å; Q413-C417 PolarHBondContact O-SG 2.99Å; Q413-C417 VanDerWaalsContact O-SG 3.35Å; Q414-C417 WeakPolarHBondContact O-CB 3.4Å; Q414-C417 PolarHBondContact O-N 3.24Å; C417-A419 VanDerWaalsContact C-N 3.27Å; C417-A419 PolarHBondContact O-N 3.06Å; C417-G420 PolarHBondContact O-N 3.26Å; C417-I434 HydrophobicContact CB-CG2 4.3Å
418	E	93.4	Very high	93.4	Very high	100 Å²	100	40.5 Å²	40.5	47%	0.467	22%	0.219	S	C	.	.	H	α-helix	trans	-64.9	-30.2	178.1	-73.5	164.3	-166	0	0	112.7	Q414 G420 S439	Q414-E418 WeakPolarHBondContact O-CG 3.35Å; Q414-E418 PolarHBondContact O-N 3.33Å; E418-G420 PolarHBondContact O-N 3.3Å; E418-S439 WeakPolarHBondContact CG-O 3.28Å; E418-S439 PolarHBondContact N-O 3.25Å; E418-S439 WeakPolarHBondContact OE1-CB 3.36Å; E418-S439 PolarHBondContact OE1-OG 3.37Å
419	A	92.8	Very high	94.1	Very high	85 Å²	85	40 Å²	40	70%	0.702	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-11.2	172.4	0	0	0	0	0	113.8	K415 C417	K415-A419 PolarHBondContact O-N 3.41Å; C417-A419 VanDerWaalsContact C-N 3.27Å; C417-A419 PolarHBondContact O-N 3.06Å
420	G	90.8	Very high	94.3	Very high	17 Å²	17	38.6 Å²	38.6	18%	0.175	20%	0.199	C	C	.	.			trans	92.7	136.5	-172.6	0	0	0	0	0	112.4	C417 E418	C417-G420 PolarHBondContact O-N 3.26Å; E418-G420 PolarHBondContact O-N 3.3Å
421	C	94.6	Very high	94.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	19%	0.189	C	C	.	.			trans	-150.3	129.6	173.1	61.5	0	0	0	0	110.6	L365 P371 T400 V402	L365-C421 VanDerWaalsContact CD1-C 3.44Å; P371-C421 WeakPolarHBondContact CA-O 3.44Å; P371-C421 WeakPolarHBondContact CB-O 3.35Å; T400-C421 HydrophobicContact CG2-CB 4.14Å; V402-C421 HydrophobicContact CB-CB 4Å; V402-C421 HydrophobicContact CG2-CB 3.45Å; V402-C421 VanDerWaalsContact CG2-CB 3.45Å
422	E	97.2	Very high	94.6	Very high	31 Å²	31	28.5 Å²	28.5	15%	0.145	16%	0.158	C	C	.	.	S	Bend	trans	-76.4	-34.3	179.7	-64.9	78.9	-175.1	0	0	111.3	I359 L365 I372 G373 L399 T400	I359-E422 HydrophobicContact CD1-CB 4.11Å; I359-E422 HydrophobicContact CG2-CB 4Å; I359-E422 HydrophobicContact CG2-CG 4.1Å; L365-E422 HydrophobicContact CD1-CB 4.43Å; L365-E422 HydrophobicContact CD1-CG 3.68Å; L365-E422 HydrophobicContact CG-CG 3.89Å; I372-E422 HydrophobicContact CD1-CG 4.38Å; I372-E422 PolarHBondContact N-O 3.46Å; G373-E422 PolarHBondContact N-O 3.18Å; L399-E422 HydrophobicContact CD2-CB 4.48Å; L399-E422 HydrophobicContact CD2-CG 4.02Å; T400-E422 WeakPolarHBondContact CA-OE2 3.31Å; T400-E422 VanDerWaalsContact CB-OE2 3.24Å; T400-E422 WeakPolarHBondContact CB-OE2 3.3Å; T400-E422 PolarHBondContact N-OE2 2.98Å; T400-E422 PolarHBondContact O-N 3.07Å
423	I	97.9	Very high	94.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.7	179.4	-55.9	175.4	0	0	0	110.3	L355 I356 I359 G373 I375 T400 V401 V402 V425	L355-I423 HydrophobicContact CD2-CD1 3.98Å; L355-I423 HydrophobicContact CD2-CG1 4.07Å; L355-I423 HydrophobicContact CD2-CG2 4.08Å; L355-I423 HydrophobicContact CG-CD1 4.26Å; L355-I423 HydrophobicContact CG-CG1 4.41Å; I356-I423 HydrophobicContact CD1-CD1 4.08Å; I359-I423 HydrophobicContact CD1-CD1 3.85Å; I359-I423 HydrophobicContact CD1-CG1 3.34Å; G373-I423 WeakPolarHBondContact O-CA 3.17Å; I375-I423 HydrophobicContact CD1-CG2 4.23Å; T400-I423 PolarHBondContact O-N 3.29Å; V401-I423 WeakPolarHBondContact CA-O 3.19Å; V401-I423 HydrophobicContact CB-CB 4.49Å; V401-I423 HydrophobicContact CG1-CB 4.08Å; V401-I423 HydrophobicContact CG1-CG2 3.99Å; V401-I423 HydrophobicContact CG2-CB 4.24Å; V401-I423 HydrophobicContact CG2-CD1 4.31Å; V402-I423 PolarHBondContact N-O 2.89Å; I423-V425 HydrophobicContact CG2-CG2 4.07Å
424	L	97.8	Very high	94.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.4	172.6	-178.6	57.1	0	0	0	110.8	P371 G373 V374 I375 V402 A404 C426 L431	P371-L424 HydrophobicContact CB-CB 4Å; P371-L424 HydrophobicContact CG-CB 3.98Å; P371-L424 HydrophobicContact CG-CD2 4.1Å; G373-L424 PolarHBondContact O-N 3.34Å; V374-L424 WeakPolarHBondContact CA-O 3.27Å; V374-L424 HydrophobicContact CG2-CB 4.43Å; I375-L424 PolarHBondContact N-O 3.41Å; V402-L424 HydrophobicContact CB-CD1 4.05Å; V402-L424 HydrophobicContact CG1-CD1 3.93Å; A404-L424 HydrophobicContact CB-CD1 3.95Å; L424-C426 HydrophobicContact CG-CB 4.45Å; L424-L431 HydrophobicContact CD2-CD1 3.46Å; L424-L431 VanDerWaalsContact CD2-CD1 3.46Å; L424-L431 HydrophobicContact CG-CD1 4.47Å
425	V	98	Very high	94.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.4	176.7	-173.2	0	0	0	0	109.6	I375 A383 I386 V401 V402 C403 A404 I423	I375-V425 HydrophobicContact CB-CG2 4.47Å; I375-V425 HydrophobicContact CD1-CG2 4.23Å; I375-V425 CarbonylContact O-C 3.55Å; I375-V425 WeakPolarHBondContact O-CA 3.47Å; A383-V425 HydrophobicContact CB-CG1 4.24Å; A383-V425 VanDerWaalsContact O-CG1 3.27Å; A383-V425 WeakPolarHBondContact O-CG1 3.36Å; I386-V425 HydrophobicContact CB-CG1 3.86Å; I386-V425 HydrophobicContact CG2-CG1 3.77Å; I386-V425 HydrophobicContact CG2-CG2 4.14Å; V401-V425 HydrophobicContact CG1-CG2 4.22Å; V402-V425 PolarHBondContact O-N 3.19Å; C403-V425 CarbonylContact C-O 3.56Å; C403-V425 WeakPolarHBondContact CA-O 3.38Å; C403-V425 PolarHBondContact SG-O 3.47Å; C403-V425 VanDerWaalsContact SG-O 3.37Å; A404-V425 PolarHBondContact N-O 3.24Å; I423-V425 HydrophobicContact CG2-CG2 4.07Å
426	C	96.8	Very high	94.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	159.8	-164.6	56.4	0	0	0	0	115.8	I375 C376 A377 A404 L424 L431	I375-C426 PolarHBondContact O-N 3.39Å; C376-C426 CarbonylContact C-O 3.53Å; C376-C426 VanDerWaalsContact CA-O 3.31Å; C376-C426 WeakPolarHBondContact CA-O 3.18Å; A377-C426 PolarHBondContact N-O 3.21Å; A404-C426 HydrophobicContact CB-CB 4.05Å; A404-C426 CarbonylContact O-C 3.16Å; A404-C426 WeakPolarHBondContact O-CA 3.31Å; A404-C426 WeakPolarHBondContact O-CB 3.39Å; L424-C426 HydrophobicContact CG-CB 4.45Å; C426-L431 HydrophobicContact CB-CB 4.22Å
427	T	94.9	Very high	94.5	Very high	14 Å²	14	25.5 Å²	25.5	9%	0.086	14%	0.139	C	C	.	.			trans	-88.3	139.3	159.9	58.1	0	0	0	0	109.7	A377 A404 Y405 G429 R430 L431	A377-T427 WeakPolarHBondContact O-CA 3.5Å; A404-T427 PolarHBondContact O-N 3.49Å; Y405-T427 WeakPolarHBondContact CA-OG1 3.43Å; T427-G429 PolarHBondContact O-N 3.17Å; T427-R430 PolarHBondContact O-N 2.73Å; T427-R430 VanDerWaalsContact O-N 3.16Å; T427-L431 PolarHBondContact O-N 3.1Å
428	P	94.1	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-49.1	-48	-173.3	-32.1	36.2	0	0	0	115.4	C376 A377 R430 L431 I432 M456 F461 Q464 V465 I468	C376-P428 HydrophobicContact CB-CG 4.48Å; A377-P428 WeakPolarHBondContact O-CD 3.28Å; P428-R430 PolarHBondContact O-N 3.26Å; P428-L431 WeakPolarHBondContact O-CB 3.38Å; P428-L431 PolarHBondContact O-N 3.47Å; P428-I432 PolarHBondContact O-N 2.86Å; P428-M456 HydrophobicContact CG-CE 4.43Å; P428-M456 HydrophobicContact CG-SD 4.34Å; P428-F461 HydrophobicContact CB-CD1 4.33Å; P428-F461 HydrophobicContact CG-CB 4.4Å; P428-F461 HydrophobicContact CG-CG 4.36Å; P428-Q464 HydrophobicContact CB-CB 3.85Å; P428-V465 HydrophobicContact CG-CG2 4.24Å; P428-I468 HydrophobicContact CB-CD1 3.78Å
429	G	92.8	Very high	94.2	Very high	4 Å²	4	29.9 Å²	29.9	4%	0.041	16%	0.157	C	C	.	.	H	α-helix	trans	-57.5	-51.5	179.4	0	0	0	0	0	113.3	T427 L431 I432 D433	T427-G429 PolarHBondContact O-N 3.17Å; G429-L431 VanDerWaalsContact C-N 3.29Å; G429-L431 PolarHBondContact O-N 3.03Å; G429-I432 WeakPolarHBondContact O-CB 3.38Å; G429-I432 PolarHBondContact O-N 3.2Å; G429-D433 PolarHBondContact O-N 2.65Å
430	R	93.8	Very high	94.3	Very high	29 Å²	29	26.2 Å²	26.2	11%	0.109	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-28.9	-180	-177.3	55.3	64.6	94.8	-10.3	113.4	A404 Y405 G408 Q413 T427 P428 D433 I434	A404-R430 HydrophobicContact CB-CG 4.09Å; Y405-R430 PolarHBondContact O-NH1 3.09Å; G408-R430 PolarHBondContact O-NH1 3.34Å; G408-R430 PolarHBondContact O-NH2 3.19Å; Q413-R430 VanDerWaalsContact CD-NH1 3.33Å; Q413-R430 VanDerWaalsContact OE1-CG 3.26Å; T427-R430 PolarHBondContact O-N 2.73Å; T427-R430 VanDerWaalsContact O-N 3.16Å; P428-R430 PolarHBondContact O-N 3.26Å; R430-D433 WeakPolarHBondContact CA-OD2 3.47Å; R430-D433 IonicContact NE-OD2 3.93Å; R430-D433 PolarHBondContact O-N 3.06Å; R430-I434 HydrophobicContact CG-CD1 4.04Å; R430-I434 WeakPolarHBondContact O-CG1 3.45Å; R430-I434 PolarHBondContact O-N 2.9Å
431	L	95.6	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.2	-45.8	171.5	-179.2	62.7	0	0	0	110.7	V374 L424 C426 T427 P428 G429 D433 I434 V435 L442 I468	V374-L431 HydrophobicContact CG1-CD2 3.9Å; L424-L431 HydrophobicContact CD2-CD1 3.46Å; L424-L431 VanDerWaalsContact CD2-CD1 3.46Å; L424-L431 HydrophobicContact CG-CD1 4.47Å; C426-L431 HydrophobicContact CB-CB 4.22Å; T427-L431 PolarHBondContact O-N 3.1Å; P428-L431 WeakPolarHBondContact O-CB 3.38Å; P428-L431 PolarHBondContact O-N 3.47Å; G429-L431 VanDerWaalsContact C-N 3.29Å; G429-L431 PolarHBondContact O-N 3.03Å; L431-D433 VanDerWaalsContact C-N 3.35Å; L431-D433 PolarHBondContact O-N 3.28Å; L431-I434 PolarHBondContact O-N 3.38Å; L431-V435 HydrophobicContact CD1-CG2 4.22Å; L431-V435 HydrophobicContact CG-CG2 4.46Å; L431-V435 VanDerWaalsContact O-CG2 3.31Å; L431-V435 WeakPolarHBondContact O-CG2 3.46Å; L431-V435 PolarHBondContact O-N 2.93Å; L431-L442 HydrophobicContact CD1-CD2 4.29Å; L431-I468 HydrophobicContact CB-CD1 4.49Å; L431-I468 HydrophobicContact CD2-CD1 3.95Å; L431-I468 HydrophobicContact CD2-CG1 4.01Å; L431-I468 HydrophobicContact CD2-CG2 3.75Å
432	I	94.2	Very high	94.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.4	-45.6	177.3	-67.9	177.7	0	0	0	110.6	I241 L244 P428 G429 I434 V435 K436 Q464 I468	I241-I432 HydrophobicContact CG2-CB 4.07Å; I241-I432 HydrophobicContact CG2-CG2 3.69Å; L244-I432 HydrophobicContact CD1-CG1 4.06Å; L244-I432 HydrophobicContact CD2-CB 4.39Å; L244-I432 HydrophobicContact CD2-CG2 3.85Å; L244-I432 HydrophobicContact CG-CB 4.26Å; L244-I432 HydrophobicContact CG-CG1 3.95Å; L244-I432 HydrophobicContact CG-CG2 3.9Å; P428-I432 PolarHBondContact O-N 2.86Å; G429-I432 WeakPolarHBondContact O-CB 3.38Å; G429-I432 PolarHBondContact O-N 3.2Å; I432-I434 PolarHBondContact O-N 3.5Å; I432-V435 PolarHBondContact O-N 2.93Å; I432-K436 HydrophobicContact CG2-CD 4.05Å; I432-K436 HydrophobicContact CG2-CG 4.22Å; I432-K436 WeakPolarHBondContact O-CB 3.28Å; I432-K436 WeakPolarHBondContact O-CG 3.49Å; I432-K436 PolarHBondContact O-N 2.7Å; I432-Q464 HydrophobicContact CD1-CB 3.58Å; I432-Q464 HydrophobicContact CD1-CG 3.56Å; I432-I468 HydrophobicContact CD1-CD1 4.46Å; I432-I468 HydrophobicContact CD1-CG1 4.33Å; I432-I468 HydrophobicContact CG1-CD1 4.26Å; I432-I468 HydrophobicContact CG1-CG1 4.02Å
433	D	93.2	Very high	94.3	Very high	42 Å²	42	34 Å²	34	23%	0.225	15%	0.153	C	C	.	.	H	α-helix	trans	-56.8	-48	178.5	-54.2	-27.4	0	0	0	112.4	G429 R430 L431 K436 K437	G429-D433 PolarHBondContact O-N 2.65Å; R430-D433 WeakPolarHBondContact CA-OD2 3.47Å; R430-D433 IonicContact NE-OD2 3.93Å; R430-D433 PolarHBondContact O-N 3.06Å; L431-D433 VanDerWaalsContact C-N 3.35Å; L431-D433 PolarHBondContact O-N 3.28Å; D433-K436 PolarHBondContact O-N 2.65Å; D433-K437 WeakPolarHBondContact O-CG 3.27Å; D433-K437 PolarHBondContact O-N 3.32Å
434	I	94	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-69.6	-35.9	-176.9	-64.4	172.8	0	0	0	111.2	A404 L410 Q413 Q414 C417 R430 L431 I432 K438 S439 T440	A404-I434 HydrophobicContact CB-CD1 3.64Å; L410-I434 HydrophobicContact CD1-CG1 3.89Å; Q413-I434 HydrophobicContact CB-CD1 3.96Å; Q414-I434 HydrophobicContact CG-CG1 4.37Å; C417-I434 HydrophobicContact CB-CG2 4.3Å; R430-I434 HydrophobicContact CG-CD1 4.04Å; R430-I434 WeakPolarHBondContact O-CG1 3.45Å; R430-I434 PolarHBondContact O-N 2.9Å; L431-I434 PolarHBondContact O-N 3.38Å; I432-I434 PolarHBondContact O-N 3.5Å; I434-K438 PolarHBondContact O-N 2.99Å; I434-S439 PolarHBondContact O-N 3.32Å; I434-T440 HydrophobicContact CG2-CG2 3.87Å
435	V	94.5	Very high	94.1	Very high	22 Å²	22	36 Å²	36	13%	0.133	16%	0.161	C	C	.	.	H	α-helix	trans	-70.4	-42.2	174.4	175.5	0	0	0	0	111.1	L244 L431 I432 K437 K438 T440 L442	L244-V435 HydrophobicContact CD1-CB 4.34Å; L244-V435 HydrophobicContact CD1-CG1 4.06Å; L244-V435 HydrophobicContact CD2-CB 3.97Å; L244-V435 HydrophobicContact CD2-CG1 3.77Å; L431-V435 HydrophobicContact CD1-CG2 4.22Å; L431-V435 HydrophobicContact CG-CG2 4.46Å; L431-V435 VanDerWaalsContact O-CG2 3.31Å; L431-V435 WeakPolarHBondContact O-CG2 3.46Å; L431-V435 PolarHBondContact O-N 2.93Å; I432-V435 PolarHBondContact O-N 2.93Å; V435-K437 PolarHBondContact O-N 2.87Å; V435-K438 PolarHBondContact O-N 3.49Å; V435-T440 HydrophobicContact CG2-CG2 3.72Å; V435-L442 HydrophobicContact CG2-CD1 4.39Å; V435-L442 HydrophobicContact CG2-CD2 4.06Å; V435-L442 HydrophobicContact CG2-CG 4.04Å
436	K	92.4	Very high	94.1	Very high	82 Å²	82	36.2 Å²	36.2	36%	0.357	16%	0.162	S	C	.	.	H	α-helix	trans	-59.6	-43.4	174.4	-76.8	-174.2	-179	175.1	0	112	D242 L244 I432 D433 K438	D242-K436 VanDerWaalsContact O-CE 3.28Å; D242-K436 WeakPolarHBondContact O-CE 3.47Å; D242-K436 PolarHBondContact O-NZ 2.89Å; L244-K436 HydrophobicContact CD2-CG 3.64Å; I432-K436 HydrophobicContact CG2-CD 4.05Å; I432-K436 HydrophobicContact CG2-CG 4.22Å; I432-K436 WeakPolarHBondContact O-CB 3.28Å; I432-K436 WeakPolarHBondContact O-CG 3.49Å; I432-K436 PolarHBondContact O-N 2.7Å; D433-K436 PolarHBondContact O-N 2.65Å; K436-K438 PolarHBondContact O-N 3.1Å
437	K	91.4	Very high	94.2	Very high	106 Å²	106	36.2 Å²	36.2	46%	0.461	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	2.5	175.8	-68.1	-166.7	178	-164	0	113.9	L410 D433 V435 S439	L410-K437 HydrophobicContact CD2-CD 4.09Å; D433-K437 WeakPolarHBondContact O-CG 3.27Å; D433-K437 PolarHBondContact O-N 3.32Å; V435-K437 PolarHBondContact O-N 2.87Å; K437-S439 PolarHBondContact O-N 3.21Å; K437-S439 VanDerWaalsContact O-N 3.13Å
438	K	91.8	Very high	94.3	Very high	187 Å²	187	35.6 Å²	35.6	81%	0.813	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	11	177.1	-55.5	176.3	-177.1	172	0	115.7	I434 V435 K436 T440	I434-K438 PolarHBondContact O-N 2.99Å; V435-K438 PolarHBondContact O-N 3.49Å; K436-K438 PolarHBondContact O-N 3.1Å; K438-T440 PolarHBondContact O-N 3.09Å
439	S	90.7	Very high	94.5	Very high	7 Å²	7	35.6 Å²	35.6	5%	0.049	16%	0.158	C	C	.	.	S	Bend	trans	-68.9	-15	172.8	-63.2	0	0	0	0	113.2	Q414 E418 I434 K437	Q414-S439 WeakPolarHBondContact CB-OG 3.38Å; Q414-S439 WeakPolarHBondContact CG-OG 3.31Å; Q414-S439 PolarHBondContact NE2-OG 3.31Å; E418-S439 WeakPolarHBondContact CG-O 3.28Å; E418-S439 PolarHBondContact N-O 3.25Å; E418-S439 WeakPolarHBondContact OE1-CB 3.36Å; E418-S439 PolarHBondContact OE1-OG 3.37Å; I434-S439 PolarHBondContact O-N 3.32Å; K437-S439 PolarHBondContact O-N 3.21Å; K437-S439 VanDerWaalsContact O-N 3.13Å
440	T	93.8	Very high	94.7	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.055	16%	0.156	C	C	.	.			trans	-150.5	170.4	165.3	-155.2	0	0	0	0	110.8	P371 I434 V435 K438	P371-T440 WeakPolarHBondContact CD-OG1 3.29Å; I434-T440 HydrophobicContact CG2-CG2 3.87Å; V435-T440 HydrophobicContact CG2-CG2 3.72Å; K438-T440 PolarHBondContact O-N 3.09Å
441	N	93.9	Very high	94.7	Very high	48 Å²	48	34.3 Å²	34.3	26%	0.257	15%	0.152	S	C	.	.			trans	-137.6	160.4	175	67.6	84.7	0	0	0	110.1	G368 G370 R443	G368-N441 PolarHBondContact O-ND2 3.26Å; G370-N441 WeakPolarHBondContact CA-O 3.47Å; N441-R443 WeakPolarHBondContact OD1-CB 3.4Å; N441-R443 PolarHBondContact OD1-N 3.04Å
442	L	95.4	Very high	94.5	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.042	16%	0.159	C	C	.	.	S	Bend	trans	-103	16.6	-177.4	-54.9	-176.2	0	0	0	113.4	V374 L431 V435 R444 V445 I468 H471 V472	V374-L442 HydrophobicContact CG2-CD2 4.41Å; L431-L442 HydrophobicContact CD1-CD2 4.29Å; V435-L442 HydrophobicContact CG2-CD1 4.39Å; V435-L442 HydrophobicContact CG2-CD2 4.06Å; V435-L442 HydrophobicContact CG2-CG 4.04Å; L442-R444 PolarHBondContact O-N 2.72Å; L442-V445 HydrophobicContact CB-CG2 4.08Å; L442-V445 HydrophobicContact CD2-CG2 3.99Å; L442-V445 PolarHBondContact O-N 2.74Å; L442-I468 HydrophobicContact CD1-CG2 4.4Å; L442-H471 HydrophobicContact CD1-CB 3.97Å; L442-V472 HydrophobicContact CB-CG2 4.1Å; L442-V472 HydrophobicContact CD1-CG2 4.08Å
443	R	93.8	Very high	94.3	Very high	155 Å²	155	35.9 Å²	35.9	59%	0.585	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-31.1	-173.1	-66.1	-179.5	170.4	-175.5	-4.3	113.7	Y254 N441	Y254-R443 HydrophobicContact CE1-CB 4.46Å; N441-R443 WeakPolarHBondContact OD1-CB 3.4Å; N441-R443 PolarHBondContact OD1-N 3.04Å
444	R	94.8	Very high	94	Very high	44 Å²	44	34.3 Å²	34.3	17%	0.166	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-4	177.8	-73.7	-153.1	65	177.1	-7.9	114.1	P363 E364 D369 P371 L442 T446	P363-R444 PolarHBondContact O-NH1 2.69Å; P363-R444 PolarHBondContact O-NH2 2.88Å; E364-R444 PolarHBondContact O-NH1 3.46Å; D369-R444 HydrophobicContact CB-CG 4.47Å; D369-R444 WeakPolarHBondContact OD2-CD 3.41Å; D369-R444 IonicContact OD2-CZ 2.68Å; D369-R444 IonicContact OD2-NE 3.94Å; D369-R444 IonicContact OD2-NH1 3.67Å; D369-R444 PolarHBondContact OD2-NH1 2.84Å; P371-R444 CarbonylContact O-C 3.56Å; L442-R444 PolarHBondContact O-N 2.72Å; R444-T446 PolarHBondContact O-N 3.13Å
445	V	97	Very high	93.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	15%	0.154	C	C	.	.			trans	-70.4	109.7	-177.3	-179.1	0	0	0	0	108.9	P371 I372 V374 L442 V472 R473	P371-V445 HydrophobicContact CG-CG2 4.05Å; P371-V445 WeakPolarHBondContact O-CA 3.42Å; P371-V445 WeakPolarHBondContact O-CG2 3.34Å; P371-V445 PolarHBondContact O-N 3.4Å; P371-V445 VanDerWaalsContact O-N 3.1Å; I372-V445 WeakPolarHBondContact O-CA 3.45Å; V374-V445 HydrophobicContact CB-CG1 4.13Å; V374-V445 HydrophobicContact CG2-CB 4.4Å; V374-V445 HydrophobicContact CG2-CG1 3.86Å; V374-V445 HydrophobicContact CG2-CG2 3.55Å; L442-V445 HydrophobicContact CB-CG2 4.08Å; L442-V445 HydrophobicContact CD2-CG2 3.99Å; L442-V445 PolarHBondContact O-N 2.74Å; V445-V472 HydrophobicContact CB-CG1 3.76Å; V445-V472 HydrophobicContact CB-CG2 4.12Å; V445-V472 HydrophobicContact CG1-CG1 3.77Å; V445-V472 HydrophobicContact CG1-CG2 3.99Å; V445-V472 WeakPolarHBondContact O-CG1 3.46Å; V445-R473 WeakPolarHBondContact O-CG 3.48Å
446	T	97.3	Very high	93.2	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.025	15%	0.148	C	C	.	.			trans	-109.6	-11.6	177.5	46.7	0	0	0	0	111.9	F257 H358 I372 R444 Q477	F257-T446 HydrophobicContact CB-CG2 4.11Å; F257-T446 HydrophobicContact CD1-CG2 3.82Å; F257-T446 HydrophobicContact CD2-CG2 3.48Å; F257-T446 VanDerWaalsContact CD2-CG2 3.48Å; F257-T446 HydrophobicContact CE1-CG2 4.03Å; F257-T446 HydrophobicContact CE2-CG2 3.72Å; F257-T446 HydrophobicContact CG-CG2 3.54Å; F257-T446 HydrophobicContact CZ-CG2 3.99Å; H358-T446 PolarHBondContact NE2-OG1 2.84Å; I372-T446 WeakPolarHBondContact CG2-OG1 3.42Å; I372-T446 PolarHBondContact O-N 3.42Å; R444-T446 PolarHBondContact O-N 3.13Å; T446-Q477 PolarHBondContact O-N 2.94Å
447	Y	97.9	Very high	92.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	113	-177.9	-167.5	-78.1	0	0	0	109.8	I331 F351 L355 H358 I372 G373 V374 V449 Q477 L479	I331-Y447 HydrophobicContact CG2-CE2 3.7Å; I331-Y447 VanDerWaalsContact CG2-OH 3.24Å; I331-Y447 WeakPolarHBondContact CG2-OH 3.44Å; F351-Y447 PolarHBondContact O-OH 2.74Å; L355-Y447 HydrophobicContact CB-CD1 4.26Å; L355-Y447 HydrophobicContact CB-CE1 3.8Å; L355-Y447 HydrophobicContact CD1-CD1 3.58Å; L355-Y447 HydrophobicContact CD1-CD2 4.44Å; L355-Y447 HydrophobicContact CD1-CE1 4.03Å; L355-Y447 HydrophobicContact CD1-CG 3.79Å; L355-Y447 HydrophobicContact CD2-CE1 4.46Å; L355-Y447 HydrophobicContact CG-CD1 4.33Å; L355-Y447 HydrophobicContact CG-CE1 4.3Å; H358-Y447 HydrophobicContact CB-CD2 4.21Å; H358-Y447 AromaticContact CG-CD2 3.97Å; I372-Y447 PolarHBondContact O-N 2.69Å; G373-Y447 WeakPolarHBondContact CA-O 3.48Å; V374-Y447 PolarHBondContact N-O 2.92Å; Y447-V449 HydrophobicContact CD1-CG2 3.82Å; Y447-V449 HydrophobicContact CE1-CG2 3.38Å; Y447-Q477 HydrophobicContact CD2-CB 4.42Å; Y447-Q477 VanDerWaalsContact CD2-OE1 3.3Å; Y447-L479 HydrophobicContact CE1-CD1 3.91Å; Y447-L479 HydrophobicContact CE2-CD1 4.18Å; Y447-L479 VanDerWaalsContact CZ-CD1 3.49Å; Y447-L479 WeakPolarHBondContact OH-CD1 3.42Å
448	L	97.9	Very high	92.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.9	-173.9	179.7	62.2	0	0	0	110.5	V374 F450 I468 A469 V472 Q477 T478 L479	V374-L448 HydrophobicContact CB-CD1 3.93Å; V374-L448 HydrophobicContact CG1-CD1 3.91Å; V374-L448 WeakPolarHBondContact O-CA 3.36Å; L448-F450 HydrophobicContact CD1-CE2 4.3Å; L448-F450 HydrophobicContact CD1-CZ 4.07Å; L448-F450 HydrophobicContact CD2-CE2 3.63Å; L448-F450 HydrophobicContact CD2-CZ 3.78Å; L448-F450 HydrophobicContact CG-CD2 4.47Å; L448-F450 HydrophobicContact CG-CE2 3.72Å; L448-F450 HydrophobicContact CG-CZ 3.97Å; L448-I468 HydrophobicContact CD1-CG2 4.42Å; L448-A469 HydrophobicContact CD2-CB 4.48Å; L448-V472 HydrophobicContact CD2-CG2 4.21Å; L448-Q477 PolarHBondContact N-O 3.13Å; L448-T478 HydrophobicContact CB-CG2 4.36Å; L448-T478 HydrophobicContact CD2-CG2 4.15Å; L448-T478 HydrophobicContact CG-CG2 4.28Å; L448-T478 CarbonylContact O-C 3.54Å; L448-T478 WeakPolarHBondContact O-CA 3.49Å; L448-L479 PolarHBondContact O-N 3.37Å
449	V	98	Very high	91.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.7	-179.6	-172.2	0	0	0	0	111	F351 V374 I375 C376 Y447 L479 F481	F351-V449 HydrophobicContact CB-CG2 4.31Å; F351-V449 HydrophobicContact CD1-CG1 3.93Å; F351-V449 HydrophobicContact CD2-CG1 4.22Å; F351-V449 HydrophobicContact CD2-CG2 4.35Å; F351-V449 HydrophobicContact CE1-CG1 4.05Å; F351-V449 HydrophobicContact CE2-CG1 4.37Å; F351-V449 HydrophobicContact CG-CG1 4Å; F351-V449 HydrophobicContact CG-CG2 4.39Å; F351-V449 HydrophobicContact CZ-CG1 4.27Å; V374-V449 PolarHBondContact O-N 3.08Å; I375-V449 HydrophobicContact CB-CB 4.33Å; I375-V449 HydrophobicContact CG1-CB 4.03Å; I375-V449 HydrophobicContact CG1-CG2 4.04Å; I375-V449 HydrophobicContact CG2-CB 4.13Å; I375-V449 HydrophobicContact CG2-CG1 4.3Å; C376-V449 PolarHBondContact N-O 2.94Å; Y447-V449 HydrophobicContact CD1-CG2 3.82Å; Y447-V449 HydrophobicContact CE1-CG2 3.38Å; V449-L479 CarbonylContact C-O 3.56Å; V449-L479 WeakPolarHBondContact CA-O 3.4Å; V449-L479 HydrophobicContact CG1-CB 4.45Å; V449-L479 HydrophobicContact CG2-CB 4.32Å; V449-L479 HydrophobicContact CG2-CD1 4.2Å; V449-F481 HydrophobicContact CG1-CD2 4.12Å
450	F	96.8	Very high	91.5	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	105.2	166.3	-61.5	-77.2	0	0	0	109.1	C376 L448 A453 M456 V465 A469 T478 L479 F481 I496	C376-F450 HydrophobicContact CB-CD1 3.62Å; C376-F450 HydrophobicContact CB-CE1 3.9Å; L448-F450 HydrophobicContact CD1-CE2 4.3Å; L448-F450 HydrophobicContact CD1-CZ 4.07Å; L448-F450 HydrophobicContact CD2-CE2 3.63Å; L448-F450 HydrophobicContact CD2-CZ 3.78Å; L448-F450 HydrophobicContact CG-CD2 4.47Å; L448-F450 HydrophobicContact CG-CE2 3.72Å; L448-F450 HydrophobicContact CG-CZ 3.97Å; F450-A453 HydrophobicContact CB-CB 4.43Å; F450-M456 HydrophobicContact CB-CE 4.39Å; F450-M456 HydrophobicContact CB-SD 4.45Å; F450-M456 HydrophobicContact CD1-CE 4.19Å; F450-M456 HydrophobicContact CD1-SD 4.06Å; F450-V465 HydrophobicContact CD1-CG1 3.87Å; F450-V465 HydrophobicContact CD1-CG2 4.13Å; F450-V465 HydrophobicContact CE1-CB 4.21Å; F450-V465 HydrophobicContact CE1-CG1 3.64Å; F450-V465 HydrophobicContact CE1-CG2 4.1Å; F450-V465 HydrophobicContact CE2-CG1 4.41Å; F450-V465 HydrophobicContact CG-CG1 4.38Å; F450-V465 HydrophobicContact CZ-CG1 3.92Å; F450-A469 HydrophobicContact CZ-CB 4.42Å; F450-T478 HydrophobicContact CD2-CG2 4.28Å; F450-T478 HydrophobicContact CE2-CG2 4.08Å; F450-L479 PolarHBondContact N-O 3.27Å; F450-F481 PolarHBondContact O-N 3.41Å; F450-I496 HydrophobicContact CD2-CD1 3.86Å; F450-I496 HydrophobicContact CE2-CD1 3.76Å
451	D	95.1	Very high	91.2	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.027	15%	0.148	C	C	.	.	S	Bend	trans	-99.4	146.8	177.6	-165.7	14.7	0	0	0	111.5	F351 C376 P378 I386 A453 M456	F351-D451 HydrophobicContact CE1-CB 4.16Å; F351-D451 HydrophobicContact CZ-CB 4.24Å; C376-D451 PolarHBondContact O-N 3.09Å; P378-D451 WeakPolarHBondContact CD-O 3.4Å; I386-D451 HydrophobicContact CD1-CB 4.31Å; D451-A453 VanDerWaalsContact C-N 3.28Å; D451-A453 PolarHBondContact O-N 3.43Å; D451-M456 WeakPolarHBondContact O-CE 3.39Å
452	E	90.1	Very high	90.9	Very high	29 Å²	29	30.2 Å²	30.2	14%	0.136	15%	0.15	C	C	.	.	S	Bend	trans	47.1	48.9	-165.6	-67.2	-171.1	163.5	0	0	112.6	P378 L382 D454 K455 M456 F481	P378-E452 HydrophobicContact CG-CB 3.67Å; L382-E452 HydrophobicContact CD2-CB 4.14Å; L382-E452 VanDerWaalsContact CD2-CD 3.42Å; L382-E452 HydrophobicContact CD2-CG 3.72Å; L382-E452 VanDerWaalsContact CD2-OE2 3.28Å; L382-E452 WeakPolarHBondContact CD2-OE2 3.49Å; E452-D454 VanDerWaalsContact C-N 3.34Å; E452-D454 PolarHBondContact O-N 3.01Å; E452-K455 HydrophobicContact CB-CB 4.22Å; E452-K455 WeakPolarHBondContact O-CB 3.01Å; E452-K455 PolarHBondContact O-N 2.87Å; E452-K455 VanDerWaalsContact OE2-CD 3.31Å; E452-K455 WeakPolarHBondContact OE2-CD 3.46Å; E452-K455 WeakPolarHBondContact OE2-CE 3.46Å; E452-K455 IonicContact OE2-NZ 3.5Å; E452-K455 PolarHBondContact OE2-NZ 2.96Å; E452-M456 PolarHBondContact O-N 3.25Å; E452-M456 VanDerWaalsContact O-N 3.11Å; E452-F481 PolarHBondContact N-O 3.18Å; E452-F481 VanDerWaalsContact N-O 3.09Å
453	A	90.6	Very high	90.7	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-35.5	-174.6	0	0	0	0	0	113.5	F450 D451 K455 M456 F457 L480 F481 L489	F450-A453 HydrophobicContact CB-CB 4.43Å; D451-A453 VanDerWaalsContact C-N 3.28Å; D451-A453 PolarHBondContact O-N 3.43Å; A453-K455 VanDerWaalsContact C-N 3.29Å; A453-K455 PolarHBondContact O-N 3.22Å; A453-M456 WeakPolarHBondContact O-CB 3.38Å; A453-M456 PolarHBondContact O-N 3.07Å; A453-M456 VanDerWaalsContact O-N 3.15Å; A453-F457 WeakPolarHBondContact O-CD2 3.39Å; A453-F457 PolarHBondContact O-N 3.35Å; A453-L480 HydrophobicContact CB-CD1 4.47Å; A453-L480 HydrophobicContact CB-CD2 3.69Å; A453-L480 HydrophobicContact CB-CG 3.83Å; A453-F481 PolarHBondContact N-O 3.05Å; A453-F481 VanDerWaalsContact N-O 3.09Å; A453-L489 HydrophobicContact CB-CD1 3.86Å; A453-L489 HydrophobicContact CB-CD2 4.35Å
454	D	86.6	Confident	90.5	Very high	9 Å²	9	27.3 Å²	27.3	5%	0.048	15%	0.15	C	C	.	.	H	α-helix	trans	-57.3	-40.2	171.3	53.1	-1	0	0	0	113.2	E452 F457 N458 S482 A483 T484 L489	E452-D454 VanDerWaalsContact C-N 3.34Å; E452-D454 PolarHBondContact O-N 3.01Å; D454-F457 WeakPolarHBondContact O-CB 3.35Å; D454-F457 PolarHBondContact O-N 2.88Å; D454-N458 VanDerWaalsContact O-CG 3.32Å; D454-N458 PolarHBondContact O-N 2.86Å; D454-N458 VanDerWaalsContact O-N 3.12Å; D454-N458 PolarHBondContact O-ND2 3.15Å; D454-S482 VanDerWaalsContact CB-OG 3.29Å; D454-S482 WeakPolarHBondContact CB-OG 3.18Å; D454-S482 PolarHBondContact N-OG 3.06Å; D454-S482 PolarHBondContact OD1-OG 3.48Å; D454-S482 PolarHBondContact OD2-OG 3.16Å; D454-A483 PolarHBondContact OD2-N 2.93Å; D454-T484 VanDerWaalsContact CB-OG1 3.24Å; D454-T484 WeakPolarHBondContact CB-OG1 3.37Å; D454-T484 WeakPolarHBondContact OD2-CB 3.21Å; D454-T484 PolarHBondContact OD2-N 2.98Å; D454-T484 PolarHBondContact OD2-OG1 3.11Å; D454-L489 HydrophobicContact CB-CD2 4.06Å
455	K	85.4	Confident	90.5	Very high	12 Å²	12	25.3 Å²	25.3	5%	0.052	14%	0.142	C	C	.	.	H	α-helix	trans	-73.8	-27.7	176.6	-178.8	176.4	144	-149.2	0	112.6	P378 T379 E452 A453 F457 N458 L459	P378-K455 HydrophobicContact CB-CB 4.44Å; P378-K455 HydrophobicContact CB-CD 4.44Å; P378-K455 HydrophobicContact CB-CG 4.07Å; P378-K455 HydrophobicContact CG-CB 4.17Å; P378-K455 HydrophobicContact CG-CD 3.99Å; P378-K455 HydrophobicContact CG-CG 4.02Å; T379-K455 PolarHBondContact OG1-NZ 2.86Å; E452-K455 HydrophobicContact CB-CB 4.22Å; E452-K455 WeakPolarHBondContact O-CB 3.01Å; E452-K455 PolarHBondContact O-N 2.87Å; E452-K455 VanDerWaalsContact OE2-CD 3.31Å; E452-K455 WeakPolarHBondContact OE2-CD 3.46Å; E452-K455 WeakPolarHBondContact OE2-CE 3.46Å; E452-K455 IonicContact OE2-NZ 3.5Å; E452-K455 PolarHBondContact OE2-NZ 2.96Å; A453-K455 VanDerWaalsContact C-N 3.29Å; A453-K455 PolarHBondContact O-N 3.22Å; K455-F457 VanDerWaalsContact C-N 3.29Å; K455-F457 PolarHBondContact O-N 3.15Å; K455-N458 PolarHBondContact O-N 3.11Å; K455-L459 HydrophobicContact CG-CD1 4.29Å; K455-L459 VanDerWaalsContact O-CG 3.31Å; K455-L459 WeakPolarHBondContact O-CG 3.45Å; K455-L459 PolarHBondContact O-N 3.5Å; K455-L459 VanDerWaalsContact O-N 3.15Å
456	M	86.7	Confident	90.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-43.8	168.5	-67	-174.6	-178.4	0	0	110.9	C376 P378 P428 F450 D451 E452 A453 L459 G460 F461 V465	C376-M456 HydrophobicContact CB-CE 3.66Å; C376-M456 WeakPolarHBondContact O-CE 3.35Å; P378-M456 HydrophobicContact CB-CG 3.82Å; P378-M456 HydrophobicContact CG-CG 4.32Å; P428-M456 HydrophobicContact CG-CE 4.43Å; P428-M456 HydrophobicContact CG-SD 4.34Å; F450-M456 HydrophobicContact CB-CE 4.39Å; F450-M456 HydrophobicContact CB-SD 4.45Å; F450-M456 HydrophobicContact CD1-CE 4.19Å; F450-M456 HydrophobicContact CD1-SD 4.06Å; D451-M456 WeakPolarHBondContact O-CE 3.39Å; E452-M456 PolarHBondContact O-N 3.25Å; E452-M456 VanDerWaalsContact O-N 3.11Å; A453-M456 WeakPolarHBondContact O-CB 3.38Å; A453-M456 PolarHBondContact O-N 3.07Å; A453-M456 VanDerWaalsContact O-N 3.15Å; M456-L459 PolarHBondContact O-N 3.36Å; M456-G460 PolarHBondContact O-N 2.93Å; M456-F461 HydrophobicContact CB-CB 4.08Å; M456-F461 WeakPolarHBondContact O-CB 3.37Å; M456-F461 PolarHBondContact O-N 3Å; M456-V465 HydrophobicContact CB-CG2 4.45Å; M456-V465 HydrophobicContact SD-CG2 3.51Å; M456-V465 VanDerWaalsContact SD-CG2 3.51Å
457	F	84.3	Confident	90	Very high	30 Å²	30	30.2 Å²	30.2	13%	0.132	16%	0.162	C	C	.	.	H	α-helix	trans	-63.4	-46.7	177	-84.7	-112.3	0	0	0	112	A453 D454 K455 L459 G460 E462 R488 L489 L492	A453-F457 WeakPolarHBondContact O-CD2 3.39Å; A453-F457 PolarHBondContact O-N 3.35Å; D454-F457 WeakPolarHBondContact O-CB 3.35Å; D454-F457 PolarHBondContact O-N 2.88Å; K455-F457 VanDerWaalsContact C-N 3.29Å; K455-F457 PolarHBondContact O-N 3.15Å; F457-L459 PolarHBondContact O-N 3.07Å; F457-L459 VanDerWaalsContact O-N 3.11Å; F457-G460 PolarHBondContact O-N 3.37Å; F457-E462 HydrophobicContact CD1-CB 4.2Å; F457-E462 HydrophobicContact CD1-CG 4.47Å; F457-E462 HydrophobicContact CE1-CB 3.82Å; F457-E462 HydrophobicContact CE1-CG 3.67Å; F457-E462 VanDerWaalsContact CE1-OE2 3.3Å; F457-E462 WeakPolarHBondContact CE1-OE2 3.46Å; F457-E462 HydrophobicContact CE2-CB 4.27Å; F457-E462 HydrophobicContact CZ-CB 3.81Å; F457-E462 HydrophobicContact CZ-CG 3.66Å; F457-R488 HydrophobicContact CD1-CB 4.43Å; F457-L489 HydrophobicContact CD2-CD1 3.86Å; F457-L489 HydrophobicContact CE2-CD1 3.74Å; F457-L489 HydrophobicContact CZ-CD1 4.36Å; F457-L492 HydrophobicContact CE1-CB 4.29Å; F457-L492 HydrophobicContact CE2-CB 4.25Å; F457-L492 HydrophobicContact CE2-CD2 3.34Å; F457-L492 HydrophobicContact CE2-CG 4.33Å; F457-L492 HydrophobicContact CZ-CB 3.47Å; F457-L492 VanDerWaalsContact CZ-CB 3.47Å; F457-L492 HydrophobicContact CZ-CD1 4.4Å; F457-L492 HydrophobicContact CZ-CD2 3.37Å; F457-L492 HydrophobicContact CZ-CG 3.88Å
458	N	80.5	Confident	89.9	Confident	101 Å²	101	30.2 Å²	30.2	54%	0.54	16%	0.162	S	C	.	.	H	α-helix	trans	-64.4	-14.9	178.2	-64	-22.4	0	0	0	113.6	D454 K455	D454-N458 VanDerWaalsContact O-CG 3.32Å; D454-N458 PolarHBondContact O-N 2.86Å; D454-N458 VanDerWaalsContact O-N 3.12Å; D454-N458 PolarHBondContact O-ND2 3.15Å; K455-N458 PolarHBondContact O-N 3.11Å
459	L	81.9	Confident	89.7	Confident	70 Å²	70	30.2 Å²	30.2	37%	0.366	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.4	173	-67.7	174.7	0	0	0	113.4	P378 T379 K455 M456 F457 F461	P378-L459 HydrophobicContact CB-CD1 3.86Å; T379-L459 HydrophobicContact CG2-CD1 4.41Å; K455-L459 HydrophobicContact CG-CD1 4.29Å; K455-L459 VanDerWaalsContact O-CG 3.31Å; K455-L459 WeakPolarHBondContact O-CG 3.45Å; K455-L459 PolarHBondContact O-N 3.5Å; K455-L459 VanDerWaalsContact O-N 3.15Å; M456-L459 PolarHBondContact O-N 3.36Å; F457-L459 PolarHBondContact O-N 3.07Å; F457-L459 VanDerWaalsContact O-N 3.11Å; L459-F461 HydrophobicContact CB-CD2 3.76Å; L459-F461 HydrophobicContact CB-CE2 3.88Å; L459-F461 HydrophobicContact CD1-CD2 4.26Å; L459-F461 HydrophobicContact CD1-CE2 3.9Å
460	G	83	Confident	89.5	Confident	46 Å²	46	34.1 Å²	34.1	47%	0.474	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	14.9	-178.5	0	0	0	0	0	114.9	M456 F457 E462 P463 Q464	M456-G460 PolarHBondContact O-N 2.93Å; F457-G460 PolarHBondContact O-N 3.37Å; G460-E462 PolarHBondContact O-N 3.37Å; G460-P463 WeakPolarHBondContact O-CD 3.49Å; G460-Q464 PolarHBondContact O-OE1 2.8Å
461	F	87.3	Confident	89.3	Confident	48 Å²	48	34.6 Å²	34.6	21%	0.211	19%	0.185	C	C	.	.			trans	-77.6	2.9	-178.4	-71.6	-53.2	0	0	0	115.1	P378 P428 M456 L459 Q464 V465	P378-F461 WeakPolarHBondContact O-CE2 2.97Å; P428-F461 HydrophobicContact CB-CD1 4.33Å; P428-F461 HydrophobicContact CG-CB 4.4Å; P428-F461 HydrophobicContact CG-CG 4.36Å; M456-F461 HydrophobicContact CB-CB 4.08Å; M456-F461 WeakPolarHBondContact O-CB 3.37Å; M456-F461 PolarHBondContact O-N 3Å; L459-F461 HydrophobicContact CB-CD2 3.76Å; L459-F461 HydrophobicContact CB-CE2 3.88Å; L459-F461 HydrophobicContact CD1-CD2 4.26Å; L459-F461 HydrophobicContact CD1-CE2 3.9Å; F461-Q464 VanDerWaalsContact CA-OE1 3.28Å; F461-Q464 PolarHBondContact O-N 3.09Å; F461-Q464 PolarHBondContact O-OE1 3.42Å; F461-V465 HydrophobicContact CB-CG2 4.45Å; F461-V465 WeakPolarHBondContact O-CB 3.34Å; F461-V465 WeakPolarHBondContact O-CG2 3.13Å; F461-V465 PolarHBondContact O-N 3.29Å
462	E	88.6	Confident	89.3	Confident	68 Å²	68	34.4 Å²	34.4	32%	0.318	18%	0.184	S	C	.	.	H	α-helix	trans	-52.3	-47.6	-179.6	171.2	177.1	-171.7	0	0	113.5	F457 G460 Q464 V465 R466	F457-E462 HydrophobicContact CD1-CB 4.2Å; F457-E462 HydrophobicContact CD1-CG 4.47Å; F457-E462 HydrophobicContact CE1-CB 3.82Å; F457-E462 HydrophobicContact CE1-CG 3.67Å; F457-E462 VanDerWaalsContact CE1-OE2 3.3Å; F457-E462 WeakPolarHBondContact CE1-OE2 3.46Å; F457-E462 HydrophobicContact CE2-CB 4.27Å; F457-E462 HydrophobicContact CZ-CB 3.81Å; F457-E462 HydrophobicContact CZ-CG 3.66Å; G460-E462 PolarHBondContact O-N 3.37Å; E462-Q464 PolarHBondContact O-N 2.69Å; E462-V465 PolarHBondContact O-N 3.3Å; E462-R466 WeakPolarHBondContact O-CB 3.2Å; E462-R466 PolarHBondContact O-N 3.47Å; E462-R466 IonicContact OE1-NH2 2.68Å
463	P	90.1	Very high	89.5	Confident	74 Å²	74	33.6 Å²	33.6	48%	0.481	18%	0.18	S	C	.	.	H	α-helix	trans	-64.4	-38.8	178.7	-21.6	34.8	0	0	0	112.7	G460 S467	G460-P463 WeakPolarHBondContact O-CD 3.49Å; P463-S467 WeakPolarHBondContact O-CB 3.47Å; P463-S467 PolarHBondContact O-N 3.42Å
464	Q	91.6	Very high	89.7	Confident	28 Å²	28	37.2 Å²	37.2	13%	0.131	20%	0.203	C	C	.	.	H	α-helix	trans	-68.4	-42.5	177.4	-66.3	81.6	14.4	0	0	111.3	I241 P428 I432 G460 F461 E462 S467 I468	I241-Q464 PolarHBondContact O-NE2 3.27Å; P428-Q464 HydrophobicContact CB-CB 3.85Å; I432-Q464 HydrophobicContact CD1-CB 3.58Å; I432-Q464 HydrophobicContact CD1-CG 3.56Å; G460-Q464 PolarHBondContact O-OE1 2.8Å; F461-Q464 VanDerWaalsContact CA-OE1 3.28Å; F461-Q464 PolarHBondContact O-N 3.09Å; F461-Q464 PolarHBondContact O-OE1 3.42Å; E462-Q464 PolarHBondContact O-N 2.69Å; Q464-S467 PolarHBondContact O-N 3.2Å; Q464-I468 WeakPolarHBondContact O-CB 3.31Å; Q464-I468 WeakPolarHBondContact O-CD1 3.32Å; Q464-I468 WeakPolarHBondContact O-CG1 3.24Å; Q464-I468 PolarHBondContact O-N 3.47Å
465	V	92.9	Very high	90	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-48	176.4	166.3	0	0	0	0	111.2	P428 F450 M456 F461 E462 S467 I468 A469 L492 I496	P428-V465 HydrophobicContact CG-CG2 4.24Å; F450-V465 HydrophobicContact CD1-CG1 3.87Å; F450-V465 HydrophobicContact CD1-CG2 4.13Å; F450-V465 HydrophobicContact CE1-CB 4.21Å; F450-V465 HydrophobicContact CE1-CG1 3.64Å; F450-V465 HydrophobicContact CE1-CG2 4.1Å; F450-V465 HydrophobicContact CE2-CG1 4.41Å; F450-V465 HydrophobicContact CG-CG1 4.38Å; F450-V465 HydrophobicContact CZ-CG1 3.92Å; M456-V465 HydrophobicContact CB-CG2 4.45Å; M456-V465 HydrophobicContact SD-CG2 3.51Å; M456-V465 VanDerWaalsContact SD-CG2 3.51Å; F461-V465 HydrophobicContact CB-CG2 4.45Å; F461-V465 WeakPolarHBondContact O-CB 3.34Å; F461-V465 WeakPolarHBondContact O-CG2 3.13Å; F461-V465 PolarHBondContact O-N 3.29Å; E462-V465 PolarHBondContact O-N 3.3Å; V465-S467 PolarHBondContact O-N 2.64Å; V465-I468 PolarHBondContact O-N 3.01Å; V465-A469 WeakPolarHBondContact O-CB 3.36Å; V465-A469 PolarHBondContact O-N 3.47Å; V465-L492 HydrophobicContact CB-CD2 4.47Å; V465-L492 HydrophobicContact CG1-CD2 3.5Å; V465-I496 HydrophobicContact CG1-CD1 4.49Å
466	R	92.5	Very high	90.5	Very high	96 Å²	96	40.3 Å²	40.3	36%	0.362	22%	0.219	S	C	.	.	H	α-helix	trans	-62.1	-42.6	175.9	-173.6	178.4	-71.6	177.3	0.4	111.7	E462 A469 N470 L492 D495	E462-R466 WeakPolarHBondContact O-CB 3.2Å; E462-R466 PolarHBondContact O-N 3.47Å; E462-R466 IonicContact OE1-NH2 2.68Å; R466-A469 PolarHBondContact O-N 2.97Å; R466-N470 WeakPolarHBondContact O-CB 3.35Å; R466-N470 VanDerWaalsContact O-CG 3.26Å; R466-N470 PolarHBondContact O-N 3.06Å; R466-N470 PolarHBondContact O-OD1 3.04Å; R466-L492 HydrophobicContact CB-CD1 4.05Å; R466-D495 IonicContact CZ-OD2 2.65Å; R466-D495 IonicContact NE-OD2 2.71Å; R466-D495 IonicContact NH2-OD2 2.75Å; R466-D495 PolarHBondContact NH2-OD2 3.48Å
467	S	92.8	Very high	91	Very high	11 Å²	11	40.3 Å²	40.3	8%	0.077	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-44	177.4	179.2	0	0	0	0	112.7	P243 L244 P463 Q464 V465 N470 H471	P243-S467 WeakPolarHBondContact CB-OG 3.28Å; L244-S467 PolarHBondContact N-OG 2.88Å; P463-S467 WeakPolarHBondContact O-CB 3.47Å; P463-S467 PolarHBondContact O-N 3.42Å; Q464-S467 PolarHBondContact O-N 3.2Å; V465-S467 PolarHBondContact O-N 2.64Å; S467-N470 CarbonylContact O-C 3.59Å; S467-N470 PolarHBondContact O-N 3.18Å; S467-H471 PolarHBondContact O-N 3.1Å; S467-H471 PolarHBondContact O-ND1 3.33Å
468	I	94.7	Very high	91.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.7	-47.4	175.9	-67.9	157.6	0	0	0	110.7	P428 L431 I432 L442 L448 Q464 V465 N470 H471 V472	P428-I468 HydrophobicContact CB-CD1 3.78Å; L431-I468 HydrophobicContact CB-CD1 4.49Å; L431-I468 HydrophobicContact CD2-CD1 3.95Å; L431-I468 HydrophobicContact CD2-CG1 4.01Å; L431-I468 HydrophobicContact CD2-CG2 3.75Å; I432-I468 HydrophobicContact CD1-CD1 4.46Å; I432-I468 HydrophobicContact CD1-CG1 4.33Å; I432-I468 HydrophobicContact CG1-CD1 4.26Å; I432-I468 HydrophobicContact CG1-CG1 4.02Å; L442-I468 HydrophobicContact CD1-CG2 4.4Å; L448-I468 HydrophobicContact CD1-CG2 4.42Å; Q464-I468 WeakPolarHBondContact O-CB 3.31Å; Q464-I468 WeakPolarHBondContact O-CD1 3.32Å; Q464-I468 WeakPolarHBondContact O-CG1 3.24Å; Q464-I468 PolarHBondContact O-N 3.47Å; V465-I468 PolarHBondContact O-N 3.01Å; I468-N470 VanDerWaalsContact C-N 3.29Å; I468-N470 PolarHBondContact O-N 3.21Å; I468-H471 WeakPolarHBondContact O-CB 3.41Å; I468-H471 PolarHBondContact O-N 3.3Å; I468-V472 PolarHBondContact O-N 2.82Å
469	A	94.5	Very high	92.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.7	-39.8	177.9	0	0	0	0	0	112.1	L448 F450 V465 R466 H471 V472 R476 I496	L448-A469 HydrophobicContact CD2-CB 4.48Å; F450-A469 HydrophobicContact CZ-CB 4.42Å; V465-A469 WeakPolarHBondContact O-CB 3.36Å; V465-A469 PolarHBondContact O-N 3.47Å; R466-A469 PolarHBondContact O-N 2.97Å; A469-H471 PolarHBondContact O-N 3Å; A469-V472 PolarHBondContact O-N 2.8Å; A469-R476 VanDerWaalsContact O-CZ 3.27Å; A469-R476 PolarHBondContact O-NH1 3.15Å; A469-R476 PolarHBondContact O-NH2 2.81Å; A469-I496 HydrophobicContact CB-CB 3.91Å; A469-I496 HydrophobicContact CB-CG2 3.7Å
470	N	92.8	Very high	93.1	Very high	82 Å²	82	30.9 Å²	30.9	44%	0.439	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	4.1	176.8	-65.7	2.5	0	0	0	114	H249 R466 S467 I468	H249-N470 PolarHBondContact NE2-O 3.21Å; R466-N470 WeakPolarHBondContact O-CB 3.35Å; R466-N470 VanDerWaalsContact O-CG 3.26Å; R466-N470 PolarHBondContact O-N 3.06Å; R466-N470 PolarHBondContact O-OD1 3.04Å; S467-N470 CarbonylContact O-C 3.59Å; S467-N470 PolarHBondContact O-N 3.18Å; I468-N470 VanDerWaalsContact C-N 3.29Å; I468-N470 PolarHBondContact O-N 3.21Å
471	H	93.6	Very high	93.7	Very high	12 Å²	12	28.7 Å²	28.7	6%	0.056	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-20.5	172.3	-89.3	57.7	0	0	0	113.4	L244 P245 I247 L442 S467 I468 A469	L244-H471 VanDerWaalsContact C-CE1 3.42Å; L244-H471 WeakPolarHBondContact CB-CE1 3.31Å; L244-H471 WeakPolarHBondContact CB-NE2 3.11Å; L244-H471 HydrophobicContact CD1-CB 4.2Å; L244-H471 PolarHBondContact O-CE1 2.99Å; L244-H471 VanDerWaalsContact O-CE1 3.29Å; P245-H471 PolarHBondContact O-CE1 2.77Å; P245-H471 PolarHBondContact O-NE2 2.77Å; I247-H471 WeakPolarHBondContact CD1-CD2 3.46Å; L442-H471 HydrophobicContact CD1-CB 3.97Å; S467-H471 PolarHBondContact O-N 3.1Å; S467-H471 PolarHBondContact O-ND1 3.33Å; I468-H471 WeakPolarHBondContact O-CB 3.41Å; I468-H471 PolarHBondContact O-N 3.3Å; A469-H471 PolarHBondContact O-N 3Å
472	V	94.9	Very high	93.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-84.6	145.1	174.1	-177.4	0	0	0	0	108.9	H249 L442 V445 L448 I468 A469 R476	H249-V472 PolarHBondContact CE1-O 3.27Å; H249-V472 VanDerWaalsContact CE1-O 3.27Å; H249-V472 PolarHBondContact NE2-O 3.01Å; L442-V472 HydrophobicContact CB-CG2 4.1Å; L442-V472 HydrophobicContact CD1-CG2 4.08Å; V445-V472 HydrophobicContact CB-CG1 3.76Å; V445-V472 HydrophobicContact CB-CG2 4.12Å; V445-V472 HydrophobicContact CG1-CG1 3.77Å; V445-V472 HydrophobicContact CG1-CG2 3.99Å; V445-V472 WeakPolarHBondContact O-CG1 3.46Å; L448-V472 HydrophobicContact CD2-CG2 4.21Å; I468-V472 PolarHBondContact O-N 2.82Å; A469-V472 PolarHBondContact O-N 2.8Å; V472-R476 HydrophobicContact CG1-CB 4Å; V472-R476 HydrophobicContact CG1-CG 4.3Å; V472-R476 PolarHBondContact O-NH1 3.47Å
473	R	94.7	Very high	93.5	Very high	12 Å²	12	24.9 Å²	24.9	5%	0.045	14%	0.136	C	C	.	.			trans	-44.6	142.4	173.6	65.5	-169.9	-68.9	170.5	0.8	112.4	Y254 A255 V445 D475 R476	Y254-R473 HydrophobicContact CD1-CB 3.92Å; Y254-R473 HydrophobicContact CD2-CB 4.26Å; Y254-R473 HydrophobicContact CE1-CB 3.65Å; Y254-R473 HydrophobicContact CE2-CB 4Å; Y254-R473 HydrophobicContact CG-CB 4.22Å; A255-R473 PolarHBondContact O-NH1 2.96Å; A255-R473 PolarHBondContact O-NH2 2.82Å; V445-R473 WeakPolarHBondContact O-CG 3.48Å; R473-D475 VanDerWaalsContact C-N 3.34Å; R473-D475 WeakPolarHBondContact CB-OD1 3.37Å; R473-D475 VanDerWaalsContact CG-OD1 3.28Å; R473-D475 WeakPolarHBondContact CG-OD1 3.33Å; R473-D475 IonicContact CZ-OD1 3.63Å; R473-D475 IonicContact CZ-OD2 2.62Å; R473-D475 IonicContact NE-OD1 3.81Å; R473-D475 PolarHBondContact NE-OD1 2.97Å; R473-D475 IonicContact NE-OD2 2.65Å; R473-D475 PolarHBondContact NE-OD2 3.48Å; R473-D475 IonicContact NH2-OD1 2.7Å; R473-D475 IonicContact NH2-OD2 3.45Å; R473-D475 PolarHBondContact NH2-OD2 2.94Å; R473-D475 PolarHBondContact O-N 3.2Å; R473-R476 HydrophobicContact CG-CB 4.26Å; R473-R476 WeakPolarHBondContact O-CB 3.13Å; R473-R476 WeakPolarHBondContact O-CD 3.26Å; R473-R476 VanDerWaalsContact O-CG 3.25Å; R473-R476 WeakPolarHBondContact O-CG 3.49Å; R473-R476 PolarHBondContact O-NH1 3.41Å
474	P	93.3	Very high	93	Very high	80 Å²	80	23.4 Å²	23.4	52%	0.519	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-25.5	-172.2	27.8	-35.2	0	0	0	113.8	R476	P474-R476 VanDerWaalsContact C-N 3.3Å; P474-R476 PolarHBondContact O-N 3.1Å
475	D	94.1	Very high	92.7	Very high	65 Å²	65	23.3 Å²	23.3	35%	0.348	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	1	-178	59.7	-31.6	0	0	0	114.4	F257 K259 R473	F257-D475 WeakPolarHBondContact CE1-OD2 3.23Å; F257-D475 WeakPolarHBondContact CZ-O 3.42Å; K259-D475 PolarHBondContact NZ-O 3.13Å; R473-D475 VanDerWaalsContact C-N 3.34Å; R473-D475 WeakPolarHBondContact CB-OD1 3.37Å; R473-D475 VanDerWaalsContact CG-OD1 3.28Å; R473-D475 WeakPolarHBondContact CG-OD1 3.33Å; R473-D475 IonicContact CZ-OD1 3.63Å; R473-D475 IonicContact CZ-OD2 2.62Å; R473-D475 IonicContact NE-OD1 3.81Å; R473-D475 PolarHBondContact NE-OD1 2.97Å; R473-D475 IonicContact NE-OD2 2.65Å; R473-D475 PolarHBondContact NE-OD2 3.48Å; R473-D475 IonicContact NH2-OD1 2.7Å; R473-D475 IonicContact NH2-OD2 3.45Å; R473-D475 PolarHBondContact NH2-OD2 2.94Å; R473-D475 PolarHBondContact O-N 3.2Å
476	R	95.6	Very high	92.2	Very high	21 Å²	21	28.3 Å²	28.3	8%	0.079	15%	0.147	C	C	.	.	S	Bend	trans	-50.5	164.2	173.2	67.3	-178.9	178.2	-97.6	0	113.5	K259 A469 V472 R473 P474 T478 I496	K259-R476 WeakPolarHBondContact CE-O 3.38Å; K259-R476 PolarHBondContact NZ-O 2.94Å; A469-R476 VanDerWaalsContact O-CZ 3.27Å; A469-R476 PolarHBondContact O-NH1 3.15Å; A469-R476 PolarHBondContact O-NH2 2.81Å; V472-R476 HydrophobicContact CG1-CB 4Å; V472-R476 HydrophobicContact CG1-CG 4.3Å; V472-R476 PolarHBondContact O-NH1 3.47Å; R473-R476 HydrophobicContact CG-CB 4.26Å; R473-R476 WeakPolarHBondContact O-CB 3.13Å; R473-R476 WeakPolarHBondContact O-CD 3.26Å; R473-R476 VanDerWaalsContact O-CG 3.25Å; R473-R476 WeakPolarHBondContact O-CG 3.49Å; R473-R476 PolarHBondContact O-NH1 3.41Å; P474-R476 VanDerWaalsContact C-N 3.3Å; P474-R476 PolarHBondContact O-N 3.1Å; R476-T478 WeakPolarHBondContact CD-OG1 3.48Å; R476-T478 WeakPolarHBondContact CG-OG1 3.16Å; R476-T478 PolarHBondContact NE-OG1 2.59Å; R476-I496 PolarHBondContact NH2-O 3.37Å
477	Q	97.1	Very high	91.7	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130.1	158.7	-164.6	173.1	15.4	0	0	109.7	K259 I331 R335 D336 T446 Y447 L448 L479	K259-Q477 VanDerWaalsContact CE-CA 3.49Å; K259-Q477 VanDerWaalsContact CE-CB 3.45Å; I331-Q477 PolarHBondContact O-NE2 2.97Å; R335-Q477 PolarHBondContact O-NE2 3.13Å; D336-Q477 WeakPolarHBondContact OD1-CA 3.48Å; T446-Q477 PolarHBondContact O-N 2.94Å; Y447-Q477 HydrophobicContact CD2-CB 4.42Å; Y447-Q477 VanDerWaalsContact CD2-OE1 3.3Å; L448-Q477 PolarHBondContact N-O 3.13Å; Q477-L479 HydrophobicContact CG-CD2 4Å
478	T	97.4	Very high	91.2	Very high	1 Å²	1	38 Å²	38	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.4	176.9	-41	0	0	0	0	111.4	D336 V337 L448 F450 R476 L497	D336-T478 VanDerWaalsContact CA-O 3.25Å; D336-T478 WeakPolarHBondContact CA-O 3.5Å; D336-T478 VanDerWaalsContact CB-O 3.25Å; D336-T478 WeakPolarHBondContact CB-O 3.4Å; D336-T478 VanDerWaalsContact CG-N 3.34Å; D336-T478 VanDerWaalsContact CG-O 3.28Å; D336-T478 PolarHBondContact OD1-N 3.36Å; D336-T478 WeakPolarHBondContact OD2-CB 3.45Å; V337-T478 PolarHBondContact N-O 3.4Å; L448-T478 HydrophobicContact CB-CG2 4.36Å; L448-T478 HydrophobicContact CD2-CG2 4.15Å; L448-T478 HydrophobicContact CG-CG2 4.28Å; L448-T478 CarbonylContact O-C 3.54Å; L448-T478 WeakPolarHBondContact O-CA 3.49Å; F450-T478 HydrophobicContact CD2-CG2 4.28Å; F450-T478 HydrophobicContact CE2-CG2 4.08Å; R476-T478 WeakPolarHBondContact CD-OG1 3.48Å; R476-T478 WeakPolarHBondContact CG-OG1 3.16Å; R476-T478 PolarHBondContact NE-OG1 2.59Å; T478-L497 VanDerWaalsContact CB-CD2 3.44Å; T478-L497 HydrophobicContact CG2-CD2 3.39Å
479	L	97.4	Very high	90.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.4	-179.4	-46.7	-176.9	0	0	0	110.5	I331 V337 F351 Y447 L448 V449 F450 Q477 F481	I331-L479 HydrophobicContact CD1-CD1 3.81Å; I331-L479 HydrophobicContact CG1-CD1 3.87Å; I331-L479 HydrophobicContact CG1-CD2 3.93Å; I331-L479 HydrophobicContact CG2-CD1 3.79Å; I331-L479 HydrophobicContact CG2-CD2 4.43Å; V337-L479 HydrophobicContact CB-CD2 3.97Å; V337-L479 HydrophobicContact CG2-CD2 4.17Å; V337-L479 WeakPolarHBondContact O-CA 3.48Å; F351-L479 HydrophobicContact CB-CD1 3.98Å; Y447-L479 HydrophobicContact CE1-CD1 3.91Å; Y447-L479 HydrophobicContact CE2-CD1 4.18Å; Y447-L479 VanDerWaalsContact CZ-CD1 3.49Å; Y447-L479 WeakPolarHBondContact OH-CD1 3.42Å; L448-L479 PolarHBondContact O-N 3.37Å; V449-L479 CarbonylContact C-O 3.56Å; V449-L479 WeakPolarHBondContact CA-O 3.4Å; V449-L479 HydrophobicContact CG1-CB 4.45Å; V449-L479 HydrophobicContact CG2-CB 4.32Å; V449-L479 HydrophobicContact CG2-CD1 4.2Å; F450-L479 PolarHBondContact N-O 3.27Å; Q477-L479 HydrophobicContact CG-CD2 4Å; L479-F481 HydrophobicContact CB-CD2 4.3Å; L479-F481 HydrophobicContact CB-CE2 3.86Å; L479-F481 HydrophobicContact CD1-CE2 4.15Å
480	L	96.2	Very high	90.6	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	113.1	179.2	-169.7	163.2	0	0	0	109	V337 I338 G339 A453 L489 A493 L497	V337-L480 PolarHBondContact O-N 3.41Å; I338-L480 CarbonylContact C-O 3.55Å; I338-L480 WeakPolarHBondContact CA-O 3.18Å; I338-L480 HydrophobicContact CG2-CD2 4.48Å; G339-L480 PolarHBondContact N-O 3.39Å; A453-L480 HydrophobicContact CB-CD1 4.47Å; A453-L480 HydrophobicContact CB-CD2 3.69Å; A453-L480 HydrophobicContact CB-CG 3.83Å; L480-L489 HydrophobicContact CD1-CD1 4.19Å; L480-L489 HydrophobicContact CD2-CD1 4.46Å; L480-L489 HydrophobicContact CD2-CD2 4.26Å; L480-A493 HydrophobicContact CD1-CB 3.92Å; L480-L497 HydrophobicContact CB-CD1 4.38Å
481	F	94.8	Very high	90.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.8	176.8	-72.8	-84.2	0	0	0	111.1	I331 G339 K347 F351 V449 F450 E452 A453 L479	I331-F481 HydrophobicContact CD1-CZ 4.06Å; G339-F481 WeakPolarHBondContact O-CA 3.48Å; K347-F481 HydrophobicContact CB-CD1 3.9Å; K347-F481 HydrophobicContact CB-CE1 4.39Å; K347-F481 HydrophobicContact CB-CG 4.42Å; K347-F481 HydrophobicContact CD-CB 4.33Å; K347-F481 HydrophobicContact CD-CD1 3.92Å; K347-F481 HydrophobicContact CG-CD1 3.87Å; K347-F481 HydrophobicContact CG-CE1 4.41Å; F351-F481 HydrophobicContact CB-CE2 3.85Å; F351-F481 HydrophobicContact CB-CZ 4.4Å; F351-F481 AromaticContact CD1-CD2 3.57Å; F351-F481 HydrophobicContact CD1-CD2 3.57Å; F351-F481 AromaticContact CD1-CE2 3.58Å; F351-F481 HydrophobicContact CD1-CE2 3.58Å; F351-F481 HydrophobicContact CD1-CG 4.24Å; F351-F481 HydrophobicContact CD1-CZ 4.24Å; F351-F481 HydrophobicContact CE1-CD2 4.15Å; F351-F481 HydrophobicContact CG-CD2 4.48Å; F351-F481 HydrophobicContact CG-CE2 4.18Å; V449-F481 HydrophobicContact CG1-CD2 4.12Å; F450-F481 PolarHBondContact O-N 3.41Å; E452-F481 PolarHBondContact N-O 3.18Å; E452-F481 VanDerWaalsContact N-O 3.09Å; A453-F481 PolarHBondContact N-O 3.05Å; A453-F481 VanDerWaalsContact N-O 3.09Å; L479-F481 HydrophobicContact CB-CD2 4.3Å; L479-F481 HydrophobicContact CB-CE2 3.86Å; L479-F481 HydrophobicContact CD1-CE2 4.15Å
482	S	90.7	Very high	90.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	162.1	-173.3	-162.2	0	0	0	0	111.8	G339 G341 K347 D454 T484	G339-S482 PolarHBondContact O-N 2.85Å; G341-S482 PolarHBondContact N-O 3.41Å; K347-S482 PolarHBondContact NZ-O 2.98Å; D454-S482 VanDerWaalsContact CB-OG 3.29Å; D454-S482 WeakPolarHBondContact CB-OG 3.18Å; D454-S482 PolarHBondContact N-OG 3.06Å; D454-S482 PolarHBondContact OD1-OG 3.48Å; D454-S482 PolarHBondContact OD2-OG 3.16Å; S482-T484 VanDerWaalsContact CB-O 3.26Å; S482-T484 WeakPolarHBondContact CB-O 3.23Å; S482-T484 PolarHBondContact OG-O 3.41Å
483	A	82.6	Confident	89.9	Confident	36 Å²	36	42.4 Å²	42.4	30%	0.298	20%	0.195	S	C	.	.	S	Bend	trans	-90.3	-39.3	167.6	0	0	0	0	0	110.6	D454	D454-A483 PolarHBondContact OD2-N 2.93Å
484	T	78.1	Confident	89.8	Confident	43 Å²	43	50.2 Å²	50.2	26%	0.264	23%	0.225	S	C	.	.			trans	-117.5	160.3	178.4	69.9	0	0	0	0	111.6	D454 S482	D454-T484 VanDerWaalsContact CB-OG1 3.24Å; D454-T484 WeakPolarHBondContact CB-OG1 3.37Å; D454-T484 WeakPolarHBondContact OD2-CB 3.21Å; D454-T484 PolarHBondContact OD2-N 2.98Å; D454-T484 PolarHBondContact OD2-OG1 3.11Å; S482-T484 VanDerWaalsContact CB-O 3.26Å; S482-T484 WeakPolarHBondContact CB-O 3.23Å; S482-T484 PolarHBondContact OG-O 3.41Å
485	F	85.6	Confident	89.7	Confident	26 Å²	26	50.4 Å²	50.4	11%	0.114	22%	0.222	C	C	.	.			trans	-139.6	70.2	178.2	-161.8	-104.9	0	0	0	110.6	I338 I340 L489 E490 A493	I338-F485 HydrophobicContact CD1-CE2 4.35Å; I338-F485 HydrophobicContact CD1-CZ 4Å; I338-F485 HydrophobicContact CG2-CD2 3.93Å; I338-F485 HydrophobicContact CG2-CE2 3.53Å; I338-F485 HydrophobicContact CG2-CZ 4Å; I340-F485 HydrophobicContact CD1-CB 3.48Å; I340-F485 VanDerWaalsContact CD1-CB 3.48Å; I340-F485 HydrophobicContact CD1-CD1 4.12Å; I340-F485 HydrophobicContact CD1-CD2 3.94Å; I340-F485 HydrophobicContact CD1-CG 3.59Å; I340-F485 HydrophobicContact CG1-CB 3.98Å; I340-F485 HydrophobicContact CG1-CD2 4.27Å; I340-F485 HydrophobicContact CG1-CG 4.28Å; F485-L489 HydrophobicContact CD2-CD2 3.89Å; F485-L489 HydrophobicContact CD2-CG 4.11Å; F485-L489 HydrophobicContact CE2-CD2 4.41Å; F485-L489 HydrophobicContact CE2-CG 4.19Å; F485-E490 HydrophobicContact CD1-CB 4.35Å; F485-E490 HydrophobicContact CE1-CB 3.67Å; F485-E490 HydrophobicContact CE1-CG 3.71Å; F485-E490 HydrophobicContact CZ-CB 3.91Å; F485-E490 HydrophobicContact CZ-CG 4.06Å; F485-A493 HydrophobicContact CE2-CB 4.13Å; F485-A493 HydrophobicContact CZ-CB 3.99Å
486	K	82.3	Confident	89.6	Confident	107 Å²	107	47.6 Å²	47.6	47%	0.465	21%	0.206	S	C	.	.			trans	-75.5	156.9	178.5	-58.2	-173.2	-176.6	-175.2	0	110.9	R488 L489 E490 D624	K486-R488 PolarHBondContact O-N 2.96Å; K486-L489 PolarHBondContact O-N 3.06Å; K486-E490 PolarHBondContact O-N 2.85Å; K486-D624 IonicContact NZ-OD1 2.89Å; K486-D624 PolarHBondContact NZ-OD1 2.65Å; K486-D624 IonicContact NZ-OD2 3.95Å; K486-D624 PolarHBondContact NZ-OD2 2.84Å
487	R	81.6	Confident	89.5	Confident	126 Å²	126	47.4 Å²	47.4	48%	0.475	21%	0.207	S	C	.	.	H	α-helix	trans	-47.6	-32.7	-177.2	-176.2	166.8	73.3	136.1	-7.7	114.9	D111 R491	D111-R487 IonicContact OD1-NH2 3.61Å; D111-R487 PolarHBondContact OD1-NH2 3.05Å; R487-R491 PolarHBondContact O-N 2.85Å
488	R	82.6	Confident	89.2	Confident	186 Å²	186	51.9 Å²	51.9	70%	0.702	23%	0.23	S	C	*	.	H	α-helix	trans	-68.3	-44.9	176.3	-64.7	-170.1	-174.2	-173	4.5	112.9	F457 K486 E490 R491	F457-R488 HydrophobicContact CD1-CB 4.43Å; K486-R488 PolarHBondContact O-N 2.96Å; R488-E490 VanDerWaalsContact C-N 3.3Å; R488-E490 PolarHBondContact O-N 2.84Å; R488-R491 PolarHBondContact O-N 2.78Å
489	L	87.7	Confident	88.9	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-34.1	177.5	-178.4	61	0	0	0	111.4	A453 D454 F457 L480 F485 K486 R491 L492 A493	A453-L489 HydrophobicContact CB-CD1 3.86Å; A453-L489 HydrophobicContact CB-CD2 4.35Å; D454-L489 HydrophobicContact CB-CD2 4.06Å; F457-L489 HydrophobicContact CD2-CD1 3.86Å; F457-L489 HydrophobicContact CE2-CD1 3.74Å; F457-L489 HydrophobicContact CZ-CD1 4.36Å; L480-L489 HydrophobicContact CD1-CD1 4.19Å; L480-L489 HydrophobicContact CD2-CD1 4.46Å; L480-L489 HydrophobicContact CD2-CD2 4.26Å; F485-L489 HydrophobicContact CD2-CD2 3.89Å; F485-L489 HydrophobicContact CD2-CG 4.11Å; F485-L489 HydrophobicContact CE2-CD2 4.41Å; F485-L489 HydrophobicContact CE2-CG 4.19Å; K486-L489 PolarHBondContact O-N 3.06Å; L489-R491 VanDerWaalsContact C-N 3.33Å; L489-R491 PolarHBondContact O-N 3.13Å; L489-L492 PolarHBondContact O-N 3.45Å; L489-A493 WeakPolarHBondContact O-CB 3.29Å; L489-A493 PolarHBondContact O-N 3.33Å
490	E	88.7	Confident	88.7	Confident	64 Å²	64	55 Å²	55	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-38.5	174.9	-174.8	-179.1	168.7	0	0	112.7	F485 K486 R488 A493 R494	F485-E490 HydrophobicContact CD1-CB 4.35Å; F485-E490 HydrophobicContact CE1-CB 3.67Å; F485-E490 HydrophobicContact CE1-CG 3.71Å; F485-E490 HydrophobicContact CZ-CB 3.91Å; F485-E490 HydrophobicContact CZ-CG 4.06Å; K486-E490 PolarHBondContact O-N 2.85Å; R488-E490 VanDerWaalsContact C-N 3.3Å; R488-E490 PolarHBondContact O-N 2.84Å; E490-A493 PolarHBondContact O-N 3.4Å; E490-R494 WeakPolarHBondContact O-CG 3.18Å; E490-R494 PolarHBondContact O-N 3.29Å; E490-R494 IonicContact OE1-CZ 3.3Å; E490-R494 IonicContact OE1-NE 2.73Å; E490-R494 IonicContact OE1-NH2 3.54Å; E490-R494 PolarHBondContact OE1-NH2 2.57Å
491	R	89.1	Confident	88.7	Confident	112 Å²	112	55 Å²	55	42%	0.423	25%	0.249	S	C	.	.	H	α-helix	trans	-60.3	-52	176.1	-71.3	175.3	-179.3	169.4	-2.2	111.3	R487 R488 L489 A493 R494 D495	R487-R491 PolarHBondContact O-N 2.85Å; R488-R491 PolarHBondContact O-N 2.78Å; L489-R491 VanDerWaalsContact C-N 3.33Å; L489-R491 PolarHBondContact O-N 3.13Å; R491-A493 VanDerWaalsContact C-N 3.29Å; R491-A493 PolarHBondContact O-N 3.34Å; R491-R494 WeakPolarHBondContact O-CB 3.29Å; R491-R494 PolarHBondContact O-N 3.24Å; R491-R494 VanDerWaalsContact O-N 3.07Å; R491-D495 PolarHBondContact O-N 2.97Å
492	L	88	Confident	88.7	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-39.4	176	-178.7	82.2	0	0	0	112.2	F457 V465 R466 L489 R494 D495 I496	F457-L492 HydrophobicContact CE1-CB 4.29Å; F457-L492 HydrophobicContact CE2-CB 4.25Å; F457-L492 HydrophobicContact CE2-CD2 3.34Å; F457-L492 HydrophobicContact CE2-CG 4.33Å; F457-L492 HydrophobicContact CZ-CB 3.47Å; F457-L492 VanDerWaalsContact CZ-CB 3.47Å; F457-L492 HydrophobicContact CZ-CD1 4.4Å; F457-L492 HydrophobicContact CZ-CD2 3.37Å; F457-L492 HydrophobicContact CZ-CG 3.88Å; V465-L492 HydrophobicContact CB-CD2 4.47Å; V465-L492 HydrophobicContact CG1-CD2 3.5Å; R466-L492 HydrophobicContact CB-CD1 4.05Å; L489-L492 PolarHBondContact O-N 3.45Å; L492-R494 PolarHBondContact O-N 3.4Å; L492-D495 WeakPolarHBondContact O-CA 3.46Å; L492-D495 WeakPolarHBondContact O-CB 3.47Å; L492-D495 PolarHBondContact O-N 2.84Å; L492-I496 HydrophobicContact CD1-CG2 3.76Å; L492-I496 HydrophobicContact CD2-CD1 4.04Å; L492-I496 HydrophobicContact CG-CD1 4.16Å; L492-I496 HydrophobicContact CG-CG1 4.46Å; L492-I496 HydrophobicContact CG-CG2 4.02Å; L492-I496 WeakPolarHBondContact O-CG1 3.13Å; L492-I496 PolarHBondContact O-N 3.03Å
493	A	91.3	Very high	88.8	Confident	2 Å²	2	57.7 Å²	57.7	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-30.1	177.8	0	0	0	0	0	112.4	I338 L480 F485 L489 E490 R491 L497	I338-A493 HydrophobicContact CD1-CB 4.02Å; L480-A493 HydrophobicContact CD1-CB 3.92Å; F485-A493 HydrophobicContact CE2-CB 4.13Å; F485-A493 HydrophobicContact CZ-CB 3.99Å; L489-A493 WeakPolarHBondContact O-CB 3.29Å; L489-A493 PolarHBondContact O-N 3.33Å; E490-A493 PolarHBondContact O-N 3.4Å; R491-A493 VanDerWaalsContact C-N 3.29Å; R491-A493 PolarHBondContact O-N 3.34Å; A493-L497 HydrophobicContact CB-CD1 4.05Å; A493-L497 VanDerWaalsContact O-CB 3.24Å; A493-L497 WeakPolarHBondContact O-CB 3.36Å; A493-L497 WeakPolarHBondContact O-CD1 3.39Å; A493-L497 WeakPolarHBondContact O-CG 3.43Å; A493-L497 PolarHBondContact O-N 3.22Å
494	R	91.2	Very high	89.3	Confident	176 Å²	176	56.6 Å²	56.6	66%	0.664	25%	0.248	S	C	*	.	H	α-helix	trans	-75.5	-31.6	171.5	-61.1	171.9	-166.1	-178.5	1.3	112.8	E490 R491 L492	E490-R494 WeakPolarHBondContact O-CG 3.18Å; E490-R494 PolarHBondContact O-N 3.29Å; E490-R494 IonicContact OE1-CZ 3.3Å; E490-R494 IonicContact OE1-NE 2.73Å; E490-R494 IonicContact OE1-NH2 3.54Å; E490-R494 PolarHBondContact OE1-NH2 2.57Å; R491-R494 WeakPolarHBondContact O-CB 3.29Å; R491-R494 PolarHBondContact O-N 3.24Å; R491-R494 VanDerWaalsContact O-N 3.07Å; L492-R494 PolarHBondContact O-N 3.4Å
495	D	90.6	Very high	89.7	Confident	85 Å²	85	56.4 Å²	56.4	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-74.7	-31.3	-179.8	-57.6	-25.9	0	0	0	113.4	R466 R491 L492	R466-D495 IonicContact CZ-OD2 2.65Å; R466-D495 IonicContact NE-OD2 2.71Å; R466-D495 IonicContact NH2-OD2 2.75Å; R466-D495 PolarHBondContact NH2-OD2 3.48Å; R491-D495 PolarHBondContact O-N 2.97Å; L492-D495 WeakPolarHBondContact O-CA 3.46Å; L492-D495 WeakPolarHBondContact O-CB 3.47Å; L492-D495 PolarHBondContact O-N 2.84Å
496	I	92.9	Very high	89.3	Confident	5 Å²	5	56.4 Å²	56.4	3%	0.026	25%	0.252	C	S	.	.	H	α-helix	trans	-111.7	-13	-168.1	74	173.8	0	0	0	116	F450 V465 A469 R476 L492	F450-I496 HydrophobicContact CD2-CD1 3.86Å; F450-I496 HydrophobicContact CE2-CD1 3.76Å; V465-I496 HydrophobicContact CG1-CD1 4.49Å; A469-I496 HydrophobicContact CB-CB 3.91Å; A469-I496 HydrophobicContact CB-CG2 3.7Å; R476-I496 PolarHBondContact NH2-O 3.37Å; L492-I496 HydrophobicContact CD1-CG2 3.76Å; L492-I496 HydrophobicContact CD2-CD1 4.04Å; L492-I496 HydrophobicContact CG-CD1 4.16Å; L492-I496 HydrophobicContact CG-CG1 4.46Å; L492-I496 HydrophobicContact CG-CG2 4.02Å; L492-I496 WeakPolarHBondContact O-CG1 3.13Å; L492-I496 PolarHBondContact O-N 3.03Å
497	L	93.2	Very high	88.5	Confident	18 Å²	18	56.2 Å²	56.2	9%	0.094	25%	0.253	C	S	.	.			trans	-113	148.4	-175.2	-50.9	177.9	0	0	0	111.2	D336 I338 T478 L480 A493 P500	D336-L497 HydrophobicContact CB-CB 4.39Å; D336-L497 WeakPolarHBondContact OD2-CA 3.49Å; I338-L497 HydrophobicContact CD1-CD1 3.74Å; I338-L497 HydrophobicContact CG1-CD1 3.38Å; T478-L497 VanDerWaalsContact CB-CD2 3.44Å; T478-L497 HydrophobicContact CG2-CD2 3.39Å; L480-L497 HydrophobicContact CB-CD1 4.38Å; A493-L497 HydrophobicContact CB-CD1 4.05Å; A493-L497 VanDerWaalsContact O-CB 3.24Å; A493-L497 WeakPolarHBondContact O-CB 3.36Å; A493-L497 WeakPolarHBondContact O-CD1 3.39Å; A493-L497 WeakPolarHBondContact O-CG 3.43Å; A493-L497 PolarHBondContact O-N 3.22Å; L497-P500 HydrophobicContact CB-CB 3.99Å; L497-P500 HydrophobicContact CB-CG 3.92Å; L497-P500 HydrophobicContact CD1-CB 3.81Å; L497-P500 HydrophobicContact CD1-CG 4.04Å
498	L	92.3	Very high	87.3	Confident	95 Å²	95	55.3 Å²	55.3	50%	0.497	26%	0.256	S	S	.	.	S	Bend	trans	-111.4	120.8	175.6	-173.6	68.1	0	0	0	111.2	A127 D336 P500	A127-L498 HydrophobicContact CB-CD1 4.25Å; D336-L498 PolarHBondContact OD2-N 3.08Å; L498-P500 VanDerWaalsContact C-CD 3.5Å
499	D	90.1	Very high	85.8	Confident	31 Å²	31	49.2 Å²	49.2	17%	0.166	25%	0.252	C	S	.	.	S	Bend	trans	41.9	52.7	-178.1	-69.3	-7.6	0	0	0	114.7	Y124 S130 P290 R335	Y124-D499 PolarHBondContact OH-OD1 3.5Å; Y124-D499 PolarHBondContact OH-OD2 3.05Å; Y124-D499 VanDerWaalsContact OH-OD2 3.04Å; S130-D499 WeakPolarHBondContact CB-OD2 3.31Å; P290-D499 HydrophobicContact CG-CB 3.9Å; R335-D499 PolarHBondContact NH2-O 3.47Å
500	P	94	Very high	84.1	Confident	35 Å²	35	52.7 Å²	52.7	23%	0.227	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-71.6	144.9	-170	29.7	-36.5	0	0	0	113.4	D336 I338 L497 L498	D336-P500 HydrophobicContact CB-CB 4.14Å; D336-P500 WeakPolarHBondContact O-CA 3.05Å; I338-P500 HydrophobicContact CD1-CB 4.13Å; I338-P500 HydrophobicContact CD1-CG 4.08Å; I338-P500 HydrophobicContact CG1-CB 4.2Å; L497-P500 HydrophobicContact CB-CB 3.99Å; L497-P500 HydrophobicContact CB-CG 3.92Å; L497-P500 HydrophobicContact CD1-CB 3.81Å; L497-P500 HydrophobicContact CD1-CG 4.04Å; L498-P500 VanDerWaalsContact C-CD 3.5Å
501	V	94.7	Very high	82.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118.8	167.6	-176.3	0	0	0	0	109.4	V287 P292 L330 D336 V337 I338	V287-V501 HydrophobicContact CG1-CG1 3.72Å; P292-V501 HydrophobicContact CB-CG1 4.08Å; L330-V501 HydrophobicContact CD1-CB 4.01Å; L330-V501 HydrophobicContact CD1-CG1 3.59Å; L330-V501 HydrophobicContact CD2-CB 4.12Å; L330-V501 HydrophobicContact CD2-CG1 4.18Å; L330-V501 HydrophobicContact CD2-CG2 3.91Å; D336-V501 PolarHBondContact O-N 3.46Å; V337-V501 WeakPolarHBondContact CA-O 3.28Å; I338-V501 PolarHBondContact N-O 2.94Å
502	R	94.5	Very high	81.2	Confident	58 Å²	58	45.4 Å²	45.4	22%	0.219	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.1	177.1	177.7	-175.7	-177.5	-154.9	2.4	110.6	V287 S288 I338 I340 I504	V287-R502 WeakPolarHBondContact CA-O 3.38Å; S288-R502 PolarHBondContact N-O 3.18Å; S288-R502 PolarHBondContact O-N 3.06Å; I338-R502 HydrophobicContact CB-CB 4.09Å; I338-R502 HydrophobicContact CB-CG 4.19Å; I338-R502 HydrophobicContact CD1-CB 4.46Å; I338-R502 HydrophobicContact CG2-CG 4.07Å; I338-R502 WeakPolarHBondContact O-CA 3.35Å; I340-R502 HydrophobicContact CD1-CG 4.07Å; R502-I504 HydrophobicContact CG-CG1 4.31Å
503	I	94.3	Very high	80.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.9	178.6	-47.6	165.5	0	0	0	107.5	L285 I323 Q326 A327 L330 V337 I338 I340	L285-I503 HydrophobicContact CD2-CG2 4.05Å; I323-I503 HydrophobicContact CD1-CB 4.23Å; I323-I503 HydrophobicContact CD1-CG2 3.79Å; Q326-I503 HydrophobicContact CB-CD1 4.41Å; Q326-I503 HydrophobicContact CB-CG2 4.16Å; Q326-I503 HydrophobicContact CG-CD1 4Å; Q326-I503 HydrophobicContact CG-CG1 4.07Å; Q326-I503 HydrophobicContact CG-CG2 3.9Å; A327-I503 HydrophobicContact CB-CD1 3.63Å; L330-I503 HydrophobicContact CD1-CD1 3.74Å; L330-I503 HydrophobicContact CD1-CG1 4.09Å; V337-I503 HydrophobicContact CG1-CD1 3.57Å; V337-I503 HydrophobicContact CG1-CG1 4.21Å; I338-I503 PolarHBondContact O-N 3.47Å; I340-I503 PolarHBondContact N-O 3.28Å
504	I	91.6	Very high	79.8	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.062	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.7	175.5	-48.1	168.5	0	0	0	107.5	L285 R286 I340 R502 L508	L285-I504 CarbonylContact C-O 3.58Å; L285-I504 WeakPolarHBondContact CA-O 3.5Å; R286-I504 HydrophobicContact CB-CB 4.31Å; R286-I504 PolarHBondContact N-O 3.27Å; R286-I504 PolarHBondContact O-N 3.3Å; I340-I504 HydrophobicContact CD1-CG1 4.02Å; I340-I504 HydrophobicContact CG2-CG2 4.29Å; R502-I504 HydrophobicContact CG-CG1 4.31Å; I504-L508 HydrophobicContact CD1-CD1 4.24Å; I504-L508 HydrophobicContact CD1-CD2 4.22Å; I504-L508 HydrophobicContact CD1-CG 4.36Å; I504-L508 HydrophobicContact CG2-CD2 3.87Å; I504-L508 HydrophobicContact CG2-CG 4.18Å
505	Q	87.7	Confident	79.5	Confident	39 Å²	39	45.8 Å²	45.8	18%	0.182	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.4	169.8	-175.1	-169.3	5.7	0	0	109.7	G284 L285 P322 I340 S345	G284-Q505 WeakPolarHBondContact O-CA 3.33Å; L285-Q505 HydrophobicContact CD2-CB 4.14Å; L285-Q505 HydrophobicContact CD2-CG 4.4Å; P322-Q505 HydrophobicContact CB-CG 4.12Å; I340-Q505 PolarHBondContact O-N 2.91Å; S345-Q505 VanDerWaalsContact CB-OE1 3.24Å
506	G	77	Confident	79.5	Confident	27 Å²	27	44.6 Å²	44.6	28%	0.278	25%	0.246	S	C	.	.	S	Bend	trans	80.7	-173.1	-173.5	0	0	0	0	0	113.2	G284	G284-G506 PolarHBondContact O-N 3.17Å
507	E	65.3	Low	79.5	Confident	103 Å²	103	44.7 Å²	44.7	48%	0.481	25%	0.246	S	C	.	.	S	Bend	trans	-83.1	154	167.9	-55.5	-145.2	124.8	0	0	112.3	R286 G509 E510	R286-E507 IonicContact CZ-OE1 3.37Å; R286-E507 IonicContact NH1-OE1 3.6Å; R286-E507 PolarHBondContact NH1-OE1 3.2Å; R286-E507 IonicContact NH2-OE1 3.23Å; R286-E507 PolarHBondContact NH2-OE1 3.17Å; E507-G509 PolarHBondContact O-N 3.46Å; E507-E510 VanDerWaalsContact CB-CD 3.47Å; E507-E510 HydrophobicContact CB-CG 3.89Å; E507-E510 WeakPolarHBondContact CG-OE1 3.34Å; E507-E510 PolarHBondContact N-OE2 3.28Å; E507-E510 PolarHBondContact O-N 3.45Å
508	L	57.1	Low	79.5	Confident	106 Å²	106	47.4 Å²	47.4	56%	0.555	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	97.3	-177.2	-71.2	164.7	0	0	0	110.6	I340 I504	I340-L508 HydrophobicContact CG2-CD2 4.32Å; I504-L508 HydrophobicContact CD1-CD1 4.24Å; I504-L508 HydrophobicContact CD1-CD2 4.22Å; I504-L508 HydrophobicContact CD1-CG 4.36Å; I504-L508 HydrophobicContact CG2-CD2 3.87Å; I504-L508 HydrophobicContact CG2-CG 4.18Å
509	G	49.8	Very low	79.6	Confident	59 Å²	59	43.4 Å²	43.4	61%	0.608	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	111	9.1	175.7	0	0	0	0	0	115.4	E507	E507-G509 PolarHBondContact O-N 3.46Å
510	E	52.8	Low	79.8	Confident	78 Å²	78	45.4 Å²	45.4	36%	0.364	25%	0.246	S	C	.	.			trans	-65.3	138.7	173.1	-76.9	172.6	156	0	0	112.3	E507	E507-E510 VanDerWaalsContact CB-CD 3.47Å; E507-E510 HydrophobicContact CB-CG 3.89Å; E507-E510 WeakPolarHBondContact CG-OE1 3.34Å; E507-E510 PolarHBondContact N-OE2 3.28Å; E507-E510 PolarHBondContact O-N 3.45Å
511	A	53.8	Low	79.7	Confident	5 Å²	5	44.7 Å²	44.7	4%	0.041	24%	0.241	C	C	.	.			trans	-67.3	153.9	165.5	0	0	0	0	0	110.1	E513	A511-E513 PolarHBondContact O-N 3.02Å; A511-E513 VanDerWaalsContact O-N 3.09Å
512	N	63.8	Low	79.7	Confident	17 Å²	17	45.5 Å²	45.5	9%	0.091	24%	0.244	C	C	.	.			trans	-67.6	110.8	176.2	-179.3	14	0	0	0	110.9	K342 D514 I515 G634	K342-N512 HydrophobicContact CD-CB 4.36Å; K342-N512 WeakPolarHBondContact CD-OD1 3.5Å; K342-N512 WeakPolarHBondContact CE-OD1 3.48Å; K342-N512 PolarHBondContact NZ-OD1 2.88Å; N512-D514 PolarHBondContact O-N 3.4Å; N512-D514 VanDerWaalsContact O-N 3.07Å; N512-D514 WeakPolarHBondContact OD1-CB 3.45Å; N512-D514 PolarHBondContact OD1-N 2.9Å; N512-D514 PolarHBondContact OD1-OD2 3.25Å; N512-D514 VanDerWaalsContact OD1-OD2 3.06Å; N512-I515 HydrophobicContact CB-CD1 3.84Å; N512-I515 HydrophobicContact CB-CG1 4.08Å; N512-I515 WeakPolarHBondContact O-CB 3.46Å; N512-I515 PolarHBondContact O-N 3.12Å; N512-G634 PolarHBondContact ND2-O 2.84Å
513	E	70.1	Confident	79.6	Confident	143 Å²	143	46.9 Å²	46.9	67%	0.668	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-25.7	178.4	-60	-176.8	146.3	0	0	114.3	A511 I515	A511-E513 PolarHBondContact O-N 3.02Å; A511-E513 VanDerWaalsContact O-N 3.09Å; E513-I515 PolarHBondContact O-N 3.42Å; E513-I515 VanDerWaalsContact O-N 3.12Å
514	D	79.2	Confident	79.4	Confident	44 Å²	44	53 Å²	53	24%	0.235	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-6.9	175.9	-60.6	-56.4	0	0	0	112.8	K342 N512 K639 G640	K342-D514 IonicContact NZ-OD2 3.6Å; K342-D514 PolarHBondContact NZ-OD2 2.91Å; N512-D514 PolarHBondContact O-N 3.4Å; N512-D514 VanDerWaalsContact O-N 3.07Å; N512-D514 WeakPolarHBondContact OD1-CB 3.45Å; N512-D514 PolarHBondContact OD1-N 2.9Å; N512-D514 PolarHBondContact OD1-OD2 3.25Å; N512-D514 VanDerWaalsContact OD1-OD2 3.06Å; D514-K639 WeakPolarHBondContact O-CA 3.43Å; D514-G640 PolarHBondContact O-N 3.45Å
515	I	85.8	Confident	79.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.8	179.6	-52.7	175.4	0	0	0	109.9	N512 E513 Q517 I630 T633 G640 A642	N512-I515 HydrophobicContact CB-CD1 3.84Å; N512-I515 HydrophobicContact CB-CG1 4.08Å; N512-I515 WeakPolarHBondContact O-CB 3.46Å; N512-I515 PolarHBondContact O-N 3.12Å; E513-I515 PolarHBondContact O-N 3.42Å; E513-I515 VanDerWaalsContact O-N 3.12Å; I515-Q517 HydrophobicContact CG2-CG 4.15Å; I515-Q517 PolarHBondContact O-N 2.7Å; I515-I630 HydrophobicContact CD1-CB 4.46Å; I515-I630 HydrophobicContact CD1-CG1 4.27Å; I515-I630 WeakPolarHBondContact CD1-O 3.41Å; I515-I630 HydrophobicContact CG2-CB 4.47Å; I515-T633 HydrophobicContact CG1-CG2 4.44Å; I515-T633 HydrophobicContact CG2-CG2 4.21Å; I515-G640 CarbonylContact C-O 3.57Å; I515-G640 WeakPolarHBondContact CA-O 3.3Å; I515-A642 HydrophobicContact CG2-CB 3.7Å
516	T	90.3	Very high	79.3	Confident	60 Å²	60	61.5 Å²	61.5	37%	0.368	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	121.8	168.5	-57.2	0	0	0	0	109.2	G640 T641 A642	T516-G640 PolarHBondContact N-O 2.82Å; T516-T641 WeakPolarHBondContact O-CA 3.48Å; T516-A642 PolarHBondContact O-N 3.32Å
517	Q	91.7	Very high	80	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.033	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.7	-176.4	-58.1	-170.3	51.2	0	0	112	I515 I630 L663 Q668	I515-Q517 HydrophobicContact CG2-CG 4.15Å; I515-Q517 PolarHBondContact O-N 2.7Å; Q517-I630 HydrophobicContact CG-CD1 4.36Å; Q517-L663 HydrophobicContact CB-CD2 3.6Å; Q517-L663 HydrophobicContact CG-CD2 4.36Å; Q517-Q668 HydrophobicContact CB-CG 4.06Å; Q517-Q668 HydrophobicContact CG-CG 4.19Å
518	H	93.3	Very high	81.3	Confident	75 Å²	75	58.8 Å²	58.8	35%	0.347	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.7	175.4	-63.8	-60.8	0	0	0	110	A642 Y643 T644	H518-A642 PolarHBondContact N-O 3.19Å; H518-Y643 HydrophobicContact CB-CD1 3.56Å; H518-Y643 HydrophobicContact CB-CE1 3.64Å; H518-Y643 HydrophobicContact CB-CG 4.48Å; H518-Y643 AromaticContact CD2-CE1 3.31Å; H518-Y643 WeakPolarHBondContact CD2-CE1 3.33Å; H518-Y643 AromaticContact CD2-CZ 3.53Å; H518-Y643 AromaticContact CG-CE1 3.69Å; H518-Y643 CarbonylContact O-C 3.54Å; H518-Y643 WeakPolarHBondContact O-CA 3.35Å; H518-T644 PolarHBondContact O-N 2.89Å
519	V	94	Very high	83	Confident	11 Å²	11	55.8 Å²	55.8	7%	0.067	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.7	172.6	-174.7	0	0	0	0	109	I521 T644 F646 L659 L663 P671 L674	V519-I521 HydrophobicContact CG1-CG1 4.4Å; V519-T644 WeakPolarHBondContact CA-O 3.44Å; V519-F646 HydrophobicContact CG1-CB 4.15Å; V519-L659 HydrophobicContact CG1-CD2 4.19Å; V519-L659 HydrophobicContact CG2-CD2 3.88Å; V519-L659 HydrophobicContact CG2-CG 4.39Å; V519-L663 HydrophobicContact CG2-CD1 3.81Å; V519-P671 HydrophobicContact CB-CG 4.1Å; V519-P671 VanDerWaalsContact O-CG 3.3Å; V519-P671 WeakPolarHBondContact O-CG 3.4Å; V519-L674 HydrophobicContact CB-CD2 4.28Å; V519-L674 HydrophobicContact CG1-CD1 4.1Å; V519-L674 HydrophobicContact CG1-CD2 4.1Å; V519-L674 HydrophobicContact CG2-CD2 4.25Å
520	E	94.5	Very high	85	Confident	73 Å²	73	56.9 Å²	56.9	34%	0.341	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.9	-177.9	-67.2	-80.9	-152.8	0	0	108.5	F522 W531 T644 L645 F646	E520-F522 HydrophobicContact CB-CE2 3.62Å; E520-F522 HydrophobicContact CB-CZ 3.7Å; E520-F522 WeakPolarHBondContact O-CD2 3.15Å; E520-F522 WeakPolarHBondContact O-CE2 3.42Å; E520-W531 HydrophobicContact CG-CZ2 4.1Å; E520-W531 PolarHBondContact OE1-NE1 3.38Å; E520-T644 PolarHBondContact N-O 2.77Å; E520-L645 HydrophobicContact CB-CD2 3.97Å; E520-L645 HydrophobicContact CG-CD2 4.37Å; E520-F646 PolarHBondContact O-N 3.16Å
521	I	93.4	Very high	87	Confident	21 Å²	21	53.7 Å²	53.7	11%	0.108	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.2	-172.8	-67.5	166.2	0	0	0	110.5	V519 F646 A648 R673 L674 I677	V519-I521 HydrophobicContact CG1-CG1 4.4Å; I521-F646 WeakPolarHBondContact CA-O 3.36Å; I521-F646 HydrophobicContact CG1-CB 4.19Å; I521-F646 HydrophobicContact CG1-CD1 4.46Å; I521-A648 HydrophobicContact CG2-CB 4.39Å; I521-R673 HydrophobicContact CB-CB 4.45Å; I521-R673 VanDerWaalsContact CD1-C 3.42Å; I521-R673 HydrophobicContact CD1-CB 3.64Å; I521-R673 HydrophobicContact CG2-CB 4.39Å; I521-L674 VanDerWaalsContact CD1-CA 3.42Å; I521-L674 HydrophobicContact CD1-CB 3.62Å; I521-L674 HydrophobicContact CD1-CD1 3.99Å; I521-L674 HydrophobicContact CD1-CG 4.4Å; I521-I677 HydrophobicContact CD1-CD1 4.39Å; I521-I677 HydrophobicContact CG2-CD1 4.12Å
522	F	93.7	Very high	88.9	Confident	16 Å²	16	53.5 Å²	53.5	7%	0.07	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	147.8	-178.9	-56.1	-77.3	0	0	0	110.7	E520 Q527 K528 W531 L645 F646 V647 A648	E520-F522 HydrophobicContact CB-CE2 3.62Å; E520-F522 HydrophobicContact CB-CZ 3.7Å; E520-F522 WeakPolarHBondContact O-CD2 3.15Å; E520-F522 WeakPolarHBondContact O-CE2 3.42Å; F522-Q527 HydrophobicContact CB-CB 4.21Å; F522-Q527 HydrophobicContact CD1-CB 3.51Å; F522-Q527 HydrophobicContact CE1-CB 4.29Å; F522-Q527 HydrophobicContact CG-CB 4.16Å; F522-K528 HydrophobicContact CD2-CG 3.79Å; F522-K528 HydrophobicContact CE2-CG 4.24Å; F522-K528 HydrophobicContact CG-CG 4.2Å; F522-W531 HydrophobicContact CE1-CB 3.73Å; F522-W531 HydrophobicContact CE1-CG 4.07Å; F522-W531 HydrophobicContact CZ-CB 3.58Å; F522-W531 AromaticContact CZ-CD1 3.64Å; F522-W531 HydrophobicContact CZ-CD2 4.29Å; F522-W531 AromaticContact CZ-CG 3.55Å; F522-W531 HydrophobicContact CZ-CG 3.55Å; F522-L645 HydrophobicContact CD2-CB 4.28Å; F522-L645 HydrophobicContact CE2-CB 3.78Å; F522-L645 HydrophobicContact CE2-CD2 3.85Å; F522-L645 HydrophobicContact CE2-CG 4.25Å; F522-L645 HydrophobicContact CZ-CD2 4.24Å; F522-F646 PolarHBondContact N-O 3.21Å; F522-V647 CarbonylContact O-C 3.56Å; F522-V647 WeakPolarHBondContact O-CA 3.44Å; F522-A648 PolarHBondContact O-N 3.42Å
523	D	91.9	Very high	90.2	Very high	88 Å²	88	53.8 Å²	53.8	47%	0.471	26%	0.262	S	S	.	.	S	Bend	trans	-94.4	-20.8	175.7	-63	-72	0	0	0	111.6	R673	D523-R673 VanDerWaalsContact CG-NH2 3.33Å; D523-R673 IonicContact OD1-CZ 3.42Å; D523-R673 IonicContact OD1-NH1 2.88Å; D523-R673 IonicContact OD1-NH2 3.79Å; D523-R673 PolarHBondContact OD1-NH2 3.06Å; D523-R673 IonicContact OD2-CZ 2.69Å; D523-R673 IonicContact OD2-NH1 2.64Å; D523-R673 PolarHBondContact OD2-NH1 2.92Å; D523-R673 IonicContact OD2-NH2 3.51Å; D523-R673 PolarHBondContact OD2-NH2 2.88Å
524	K	90.2	Very high	91.3	Very high	129 Å²	129	55.1 Å²	55.1	56%	0.561	26%	0.261	S	S	*	.	S	Bend	trans	-130.6	145.2	176.5	-64	-175.3	177.9	-174	0	111	E526 Q527	K524-E526 VanDerWaalsContact C-N 3.29Å; K524-E526 PolarHBondContact O-N 3.02Å; K524-Q527 HydrophobicContact CB-CG 4.19Å; K524-Q527 WeakPolarHBondContact O-CB 3.48Å; K524-Q527 PolarHBondContact O-N 2.92Å
525	I	88.9	Confident	91.9	Very high	85 Å²	85	54.3 Å²	54.3	44%	0.436	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-39.9	179.9	-57.1	168.8	0	0	0	111.3	Q527 K528 V647 K650	I525-Q527 PolarHBondContact O-N 2.8Å; I525-K528 VanDerWaalsContact O-CB 3.26Å; I525-K528 WeakPolarHBondContact O-CB 3.15Å; I525-K528 PolarHBondContact O-N 2.85Å; I525-V647 HydrophobicContact CG1-CG1 4.34Å; I525-V647 HydrophobicContact CG1-CG2 4.41Å; I525-K650 HydrophobicContact CD1-CD 3.81Å; I525-K650 HydrophobicContact CG1-CD 4.02Å
526	E	89.5	Confident	92.2	Very high	143 Å²	143	54.4 Å²	54.4	67%	0.668	26%	0.257	S	S	*	.	H	α-helix	trans	-56.1	-36.5	-179.5	-65.2	163.6	174	0	0	112.7	K524 K528 W529 D530	K524-E526 VanDerWaalsContact C-N 3.29Å; K524-E526 PolarHBondContact O-N 3.02Å; E526-K528 PolarHBondContact O-N 3.27Å; E526-K528 VanDerWaalsContact O-N 3.13Å; E526-W529 WeakPolarHBondContact O-CB 3.37Å; E526-W529 PolarHBondContact O-N 3.31Å; E526-D530 PolarHBondContact O-N 2.97Å
527	Q	91.4	Very high	92.2	Very high	68 Å²	68	56.2 Å²	56.2	32%	0.318	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-24.4	-179.9	-62	170.4	-21.5	0	0	112.6	F522 K524 I525 W529 D530 W531	F522-Q527 HydrophobicContact CB-CB 4.21Å; F522-Q527 HydrophobicContact CD1-CB 3.51Å; F522-Q527 HydrophobicContact CE1-CB 4.29Å; F522-Q527 HydrophobicContact CG-CB 4.16Å; K524-Q527 HydrophobicContact CB-CG 4.19Å; K524-Q527 WeakPolarHBondContact O-CB 3.48Å; K524-Q527 PolarHBondContact O-N 2.92Å; I525-Q527 PolarHBondContact O-N 2.8Å; Q527-W529 VanDerWaalsContact C-N 3.33Å; Q527-D530 PolarHBondContact O-N 3.09Å; Q527-W531 WeakPolarHBondContact O-CB 3.46Å; Q527-W531 PolarHBondContact O-N 3.38Å
528	K	92.3	Very high	92.2	Very high	5 Å²	5	61 Å²	61	2%	0.022	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-39.4	173.1	-66.8	-174.5	147	-174.8	0	111.8	F522 I525 E526 L532 Y617 L645 V647 D651	F522-K528 HydrophobicContact CD2-CG 3.79Å; F522-K528 HydrophobicContact CE2-CG 4.24Å; F522-K528 HydrophobicContact CG-CG 4.2Å; I525-K528 VanDerWaalsContact O-CB 3.26Å; I525-K528 WeakPolarHBondContact O-CB 3.15Å; I525-K528 PolarHBondContact O-N 2.85Å; E526-K528 PolarHBondContact O-N 3.27Å; E526-K528 VanDerWaalsContact O-N 3.13Å; K528-L532 VanDerWaalsContact O-CB 3.28Å; K528-L532 WeakPolarHBondContact O-CB 3.32Å; K528-L532 PolarHBondContact O-N 3.33Å; K528-Y617 HydrophobicContact CB-CE2 3.85Å; K528-Y617 WeakPolarHBondContact CE-O 3.12Å; K528-Y617 PolarHBondContact NZ-O 3.04Å; K528-L645 HydrophobicContact CB-CD1 4.19Å; K528-L645 HydrophobicContact CD-CB 4.15Å; K528-L645 VanDerWaalsContact CE-C 3.42Å; K528-L645 VanDerWaalsContact CE-CB 3.49Å; K528-L645 WeakPolarHBondContact CE-O 2.97Å; K528-L645 HydrophobicContact CG-CB 4.17Å; K528-L645 HydrophobicContact CG-CD1 4.45Å; K528-L645 PolarHBondContact NZ-O 2.84Å; K528-V647 HydrophobicContact CD-CG2 3.65Å; K528-V647 HydrophobicContact CG-CG2 4.22Å; K528-D651 IonicContact NZ-OD2 3.54Å; K528-D651 PolarHBondContact NZ-OD2 2.88Å
529	W	92.7	Very high	92.2	Very high	44 Å²	44	57.5 Å²	57.5	17%	0.167	27%	0.27	C	S	.	.	H	α-helix	trans	-68.6	-43.1	178.8	-179.8	-103.2	0	0	0	111.3	E526 Q527 L532 T533 K561 L562	E526-W529 WeakPolarHBondContact O-CB 3.37Å; E526-W529 PolarHBondContact O-N 3.31Å; Q527-W529 VanDerWaalsContact C-N 3.33Å; W529-L532 HydrophobicContact CE3-CD2 4.35Å; W529-L532 HydrophobicContact CZ3-CD2 4.21Å; W529-L532 PolarHBondContact O-N 3.3Å; W529-T533 HydrophobicContact CD2-CG2 4.11Å; W529-T533 HydrophobicContact CH2-CG2 4.1Å; W529-T533 HydrophobicContact CZ2-CG2 3.61Å; W529-T533 WeakPolarHBondContact O-CG2 3.43Å; W529-T533 PolarHBondContact O-N 3.18Å; W529-T533 PolarHBondContact O-OG1 3.31Å; W529-K561 HydrophobicContact CH2-CB 3.31Å; W529-K561 HydrophobicContact CH2-CG 4.5Å; W529-K561 HydrophobicContact CZ2-CB 3.74Å; W529-K561 HydrophobicContact CZ3-CB 3.93Å; W529-L562 HydrophobicContact CH2-CD2 3.75Å; W529-L562 HydrophobicContact CH2-CG 3.98Å; W529-L562 HydrophobicContact CZ3-CD2 4.17Å; W529-L562 HydrophobicContact CZ3-CG 4.29Å
530	D	92.5	Very high	91.9	Very high	82 Å²	82	58.9 Å²	58.9	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-67	-37.9	176.5	-65.6	-24.4	0	0	0	112	E526 Q527 R534	E526-D530 PolarHBondContact O-N 2.97Å; Q527-D530 PolarHBondContact O-N 3.09Å; D530-R534 WeakPolarHBondContact O-CB 3.26Å; D530-R534 VanDerWaalsContact O-CG 3.27Å; D530-R534 WeakPolarHBondContact O-CG 3.24Å; D530-R534 PolarHBondContact O-N 2.85Å; D530-R534 PolarHBondContact O-NE 3.21Å
531	W	94.8	Very high	91.6	Very high	11 Å²	11	61.2 Å²	61.2	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-47.4	172.9	-178	102	0	0	0	111.1	E520 F522 Q527 T533 R534 N535 L539 I615 Y643 L645	E520-W531 HydrophobicContact CG-CZ2 4.1Å; E520-W531 PolarHBondContact OE1-NE1 3.38Å; F522-W531 HydrophobicContact CE1-CB 3.73Å; F522-W531 HydrophobicContact CE1-CG 4.07Å; F522-W531 HydrophobicContact CZ-CB 3.58Å; F522-W531 AromaticContact CZ-CD1 3.64Å; F522-W531 HydrophobicContact CZ-CD2 4.29Å; F522-W531 AromaticContact CZ-CG 3.55Å; F522-W531 HydrophobicContact CZ-CG 3.55Å; Q527-W531 WeakPolarHBondContact O-CB 3.46Å; Q527-W531 PolarHBondContact O-N 3.38Å; W531-T533 PolarHBondContact O-N 3.4Å; W531-R534 PolarHBondContact O-N 3.32Å; W531-N535 VanDerWaalsContact CE2-ND2 3.26Å; W531-N535 HydrophobicContact CH2-CB 4.26Å; W531-N535 HydrophobicContact CZ2-CB 4.36Å; W531-N535 HydrophobicContact CZ3-CB 4.41Å; W531-N535 PolarHBondContact NE1-ND2 2.61Å; W531-N535 PolarHBondContact O-N 3.05Å; W531-N535 PolarHBondContact O-ND2 2.63Å; W531-L539 HydrophobicContact CH2-CD1 4.28Å; W531-I615 HydrophobicContact CZ3-CD1 4.45Å; W531-I615 HydrophobicContact CZ3-CG2 4.11Å; W531-Y643 AromaticContact CH2-CD1 3.66Å; W531-Y643 HydrophobicContact CH2-CD1 3.66Å; W531-Y643 HydrophobicContact CH2-CD2 4.16Å; W531-Y643 HydrophobicContact CH2-CE1 4.4Å; W531-Y643 AromaticContact CH2-CG 3.54Å; W531-Y643 HydrophobicContact CH2-CG 3.54Å; W531-Y643 AromaticContact CZ2-CD1 3.49Å; W531-Y643 HydrophobicContact CZ2-CD1 3.49Å; W531-Y643 VanDerWaalsContact CZ2-CD1 3.49Å; W531-Y643 HydrophobicContact CZ2-CE1 4.02Å; W531-Y643 AromaticContact CZ2-CG 3.9Å; W531-Y643 HydrophobicContact CZ2-CG 3.9Å; W531-L645 HydrophobicContact CD2-CD2 3.77Å; W531-L645 HydrophobicContact CE3-CD1 3.72Å; W531-L645 HydrophobicContact CE3-CD2 3.47Å; W531-L645 VanDerWaalsContact CE3-CD2 3.47Å; W531-L645 HydrophobicContact CE3-CG 4.24Å; W531-L645 HydrophobicContact CH2-CD2 4Å; W531-L645 HydrophobicContact CZ2-CD2 4.2Å; W531-L645 HydrophobicContact CZ3-CD1 4.14Å; W531-L645 HydrophobicContact CZ3-CD2 3.62Å; W531-L645 HydrophobicContact CZ3-CG 4.4Å
532	L	93.4	Very high	91.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.6	-55	-179.2	176.7	64.2	0	0	0	109.6	K528 W529 R534 N535 L536 I547 L562 I615 Y617	K528-L532 VanDerWaalsContact O-CB 3.28Å; K528-L532 WeakPolarHBondContact O-CB 3.32Å; K528-L532 PolarHBondContact O-N 3.33Å; W529-L532 HydrophobicContact CE3-CD2 4.35Å; W529-L532 HydrophobicContact CZ3-CD2 4.21Å; W529-L532 PolarHBondContact O-N 3.3Å; L532-R534 PolarHBondContact O-N 3.44Å; L532-N535 PolarHBondContact O-N 2.86Å; L532-L536 HydrophobicContact CD1-CD1 4.48Å; L532-L536 VanDerWaalsContact O-CB 3.25Å; L532-L536 WeakPolarHBondContact O-CB 3.38Å; L532-L536 PolarHBondContact O-N 2.93Å; L532-I547 HydrophobicContact CD1-CD1 4.06Å; L532-I547 HydrophobicContact CD2-CD1 4.46Å; L532-L562 HydrophobicContact CD2-CD2 4.41Å; L532-I615 HydrophobicContact CD1-CD1 3.68Å; L532-I615 HydrophobicContact CD1-CG2 4.37Å; L532-Y617 HydrophobicContact CB-CD2 4.47Å; L532-Y617 HydrophobicContact CB-CE2 4.25Å; L532-Y617 HydrophobicContact CD2-CD2 3.91Å; L532-Y617 HydrophobicContact CD2-CE2 3.87Å
533	T	91.2	Very high	91	Very high	24 Å²	24	64.2 Å²	64.2	15%	0.147	32%	0.318	C	S	.	.	H	α-helix	trans	-68	-30.9	-173.7	56	0	0	0	0	114	W529 W531 R565	W529-T533 HydrophobicContact CD2-CG2 4.11Å; W529-T533 HydrophobicContact CH2-CG2 4.1Å; W529-T533 HydrophobicContact CZ2-CG2 3.61Å; W529-T533 WeakPolarHBondContact O-CG2 3.43Å; W529-T533 PolarHBondContact O-N 3.18Å; W529-T533 PolarHBondContact O-OG1 3.31Å; W531-T533 PolarHBondContact O-N 3.4Å; T533-R565 PolarHBondContact OG1-NH1 3.39Å
534	R	92.1	Very high	91	Very high	171 Å²	171	60.3 Å²	60.3	65%	0.645	30%	0.297	S	S	*	.	H	α-helix	trans	-69.9	-39.5	172.2	-76.5	178.4	-68.7	144.6	-3.6	113.1	D530 W531 L532	D530-R534 WeakPolarHBondContact O-CB 3.26Å; D530-R534 VanDerWaalsContact O-CG 3.27Å; D530-R534 WeakPolarHBondContact O-CG 3.24Å; D530-R534 PolarHBondContact O-N 2.85Å; D530-R534 PolarHBondContact O-NE 3.21Å; W531-R534 PolarHBondContact O-N 3.32Å; L532-R534 PolarHBondContact O-N 3.44Å
535	N	92.9	Very high	91.2	Very high	27 Å²	27	54.2 Å²	54.2	14%	0.144	27%	0.271	C	S	.	.	H	α-helix	trans	-84.3	-26.5	-177.1	-72.8	-79.9	0	0	0	113.1	W531 L532 V537 R538 L539	W531-N535 VanDerWaalsContact CE2-ND2 3.26Å; W531-N535 HydrophobicContact CH2-CB 4.26Å; W531-N535 HydrophobicContact CZ2-CB 4.36Å; W531-N535 HydrophobicContact CZ3-CB 4.41Å; W531-N535 PolarHBondContact NE1-ND2 2.61Å; W531-N535 PolarHBondContact O-N 3.05Å; W531-N535 PolarHBondContact O-ND2 2.63Å; L532-N535 PolarHBondContact O-N 2.86Å; N535-V537 VanDerWaalsContact C-N 3.29Å; N535-V537 PolarHBondContact O-N 3.37Å; N535-V537 VanDerWaalsContact O-N 3.15Å; N535-R538 WeakPolarHBondContact O-CA 3.29Å; N535-R538 WeakPolarHBondContact O-CB 3.45Å; N535-R538 PolarHBondContact O-N 3.16Å; N535-L539 HydrophobicContact CB-CD1 4.01Å; N535-L539 HydrophobicContact CB-CG 4.28Å; N535-L539 WeakPolarHBondContact O-CG 3.24Å; N535-L539 PolarHBondContact O-N 3.42Å
536	L	91.5	Very high	91.5	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-56.2	-38.8	-168.7	-166.5	54.9	0	0	0	113.6	L532 R538 L539 T540 V545 I547 L562 L567 I595	L532-L536 HydrophobicContact CD1-CD1 4.48Å; L532-L536 VanDerWaalsContact O-CB 3.25Å; L532-L536 WeakPolarHBondContact O-CB 3.38Å; L532-L536 PolarHBondContact O-N 2.93Å; L536-R538 PolarHBondContact O-N 3.08Å; L536-L539 PolarHBondContact O-N 3.07Å; L536-T540 HydrophobicContact CD1-CG2 4.29Å; L536-T540 HydrophobicContact CG-CG2 4.48Å; L536-T540 WeakPolarHBondContact O-CB 3.37Å; L536-T540 WeakPolarHBondContact O-CG2 3.16Å; L536-T540 PolarHBondContact O-N 2.93Å; L536-T540 PolarHBondContact O-OG1 3.4Å; L536-V545 HydrophobicContact CD1-CG1 4.11Å; L536-V545 HydrophobicContact CD1-CG2 4.41Å; L536-I547 HydrophobicContact CD1-CD1 4.42Å; L536-L562 HydrophobicContact CD2-CD1 4.43Å; L536-L562 HydrophobicContact CD2-CD2 3.56Å; L536-L567 HydrophobicContact CD2-CD1 3.57Å; L536-L567 HydrophobicContact CG-CD1 4.42Å; L536-I595 HydrophobicContact CD1-CD1 4.03Å; L536-I595 HydrophobicContact CD1-CG1 4.11Å; L536-I595 HydrophobicContact CD2-CD1 3.86Å; L536-I595 HydrophobicContact CG-CD1 3.95Å
537	V	89.5	Confident	91.7	Very high	98 Å²	98	43.3 Å²	43.3	59%	0.594	22%	0.218	S	C	*	.	H	α-helix	trans	-61.8	-41.6	176.6	-178.1	0	0	0	0	111.9	N535 T540 T541	N535-V537 VanDerWaalsContact C-N 3.29Å; N535-V537 PolarHBondContact O-N 3.37Å; N535-V537 VanDerWaalsContact O-N 3.15Å; V537-T540 PolarHBondContact O-OG1 3.17Å; V537-T540 VanDerWaalsContact O-OG1 3.1Å; V537-T541 PolarHBondContact O-N 3.43Å; V537-T541 PolarHBondContact O-OG1 2.96Å
538	R	92.6	Very high	91.9	Very high	109 Å²	109	40.1 Å²	40.1	41%	0.411	20%	0.203	S	C	.	.	H	α-helix	trans	-65.4	-50.4	174.8	-164.4	-166.5	78.7	-153.6	-4.1	110.3	N535 L536 T540 T541 E542 Y643	N535-R538 WeakPolarHBondContact O-CA 3.29Å; N535-R538 WeakPolarHBondContact O-CB 3.45Å; N535-R538 PolarHBondContact O-N 3.16Å; L536-R538 PolarHBondContact O-N 3.08Å; R538-T540 VanDerWaalsContact C-N 3.31Å; R538-T540 PolarHBondContact O-N 3.32Å; R538-T541 WeakPolarHBondContact O-CA 3.38Å; R538-T541 WeakPolarHBondContact O-CB 3.39Å; R538-T541 PolarHBondContact O-N 2.84Å; R538-E542 WeakPolarHBondContact CG-OE1 3.33Å; R538-E542 IonicContact CZ-OE1 3.47Å; R538-E542 IonicContact NE-OE1 3.45Å; R538-E542 PolarHBondContact NE-OE1 2.9Å; R538-E542 IonicContact NH2-OE1 2.67Å; R538-E542 PolarHBondContact O-N 3.1Å; R538-E542 VanDerWaalsContact O-N 3.13Å; R538-Y643 PolarHBondContact NH2-OH 3.44Å
539	L	92.2	Very high	92	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-33.5	-176.6	-60.2	176.9	0	0	0	112.9	W531 N535 L536 T541 E542 G543 V545 N613 I615 Y643	W531-L539 HydrophobicContact CH2-CD1 4.28Å; N535-L539 HydrophobicContact CB-CD1 4.01Å; N535-L539 HydrophobicContact CB-CG 4.28Å; N535-L539 WeakPolarHBondContact O-CG 3.24Å; N535-L539 PolarHBondContact O-N 3.42Å; L536-L539 PolarHBondContact O-N 3.07Å; L539-T541 VanDerWaalsContact C-N 3.33Å; L539-E542 WeakPolarHBondContact CD2-OE2 3.26Å; L539-G543 PolarHBondContact O-N 3.18Å; L539-G543 VanDerWaalsContact O-O 3.09Å; L539-V545 HydrophobicContact CB-CG2 3.89Å; L539-N613 WeakPolarHBondContact CA-ND2 3.23Å; L539-N613 HydrophobicContact CB-CB 4.45Å; L539-N613 PolarHBondContact O-ND2 3.4Å; L539-I615 HydrophobicContact CD1-CD1 3.53Å; L539-I615 HydrophobicContact CD1-CG1 4.23Å; L539-Y643 HydrophobicContact CD1-CD2 4.35Å; L539-Y643 HydrophobicContact CD1-CE2 4.44Å; L539-Y643 HydrophobicContact CD2-CD2 4.16Å; L539-Y643 HydrophobicContact CD2-CE2 3.49Å; L539-Y643 VanDerWaalsContact CD2-CE2 3.49Å
540	T	89.6	Confident	91.9	Very high	41 Å²	41	39.5 Å²	39.5	25%	0.252	21%	0.205	S	C	.	.	H	α-helix	trans	-76.1	-17.4	173.3	51.7	0	0	0	0	114.1	L536 V537 R538 G543 V545 P594 I595	L536-T540 HydrophobicContact CD1-CG2 4.29Å; L536-T540 HydrophobicContact CG-CG2 4.48Å; L536-T540 WeakPolarHBondContact O-CB 3.37Å; L536-T540 WeakPolarHBondContact O-CG2 3.16Å; L536-T540 PolarHBondContact O-N 2.93Å; L536-T540 PolarHBondContact O-OG1 3.4Å; V537-T540 PolarHBondContact O-OG1 3.17Å; V537-T540 VanDerWaalsContact O-OG1 3.1Å; R538-T540 VanDerWaalsContact C-N 3.31Å; R538-T540 PolarHBondContact O-N 3.32Å; T540-G543 WeakPolarHBondContact CA-O 3.26Å; T540-V545 HydrophobicContact CG2-CG2 3.78Å; T540-P594 HydrophobicContact CG2-CB 4.13Å; T540-P594 HydrophobicContact CG2-CG 4.12Å; T540-I595 HydrophobicContact CG2-CD1 3.89Å; T540-I595 HydrophobicContact CG2-CG1 3.6Å
541	T	88.2	Confident	91.7	Very high	121 Å²	121	44.2 Å²	44.2	74%	0.742	22%	0.216	S	C	*	.	H	α-helix	trans	-80.8	-34.1	172.8	-54	0	0	0	0	110.8	V537 R538 L539	V537-T541 PolarHBondContact O-N 3.43Å; V537-T541 PolarHBondContact O-OG1 2.96Å; R538-T541 WeakPolarHBondContact O-CA 3.38Å; R538-T541 WeakPolarHBondContact O-CB 3.39Å; R538-T541 PolarHBondContact O-N 2.84Å; L539-T541 VanDerWaalsContact C-N 3.33Å
542	E	85.9	Confident	91.4	Very high	78 Å²	78	47.3 Å²	47.3	36%	0.364	23%	0.23	S	C	.	.	H	α-helix	trans	-72	-33.1	175.4	-64.5	160.1	-168.4	0	0	112.7	R538 L539 N613	R538-E542 WeakPolarHBondContact CG-OE1 3.33Å; R538-E542 IonicContact CZ-OE1 3.47Å; R538-E542 IonicContact NE-OE1 3.45Å; R538-E542 PolarHBondContact NE-OE1 2.9Å; R538-E542 IonicContact NH2-OE1 2.67Å; R538-E542 PolarHBondContact O-N 3.1Å; R538-E542 VanDerWaalsContact O-N 3.13Å; L539-E542 WeakPolarHBondContact CD2-OE2 3.26Å; E542-N613 PolarHBondContact OE2-ND2 3.23Å
543	G	87.6	Confident	91.4	Very high	23 Å²	23	51.8 Å²	51.8	24%	0.237	26%	0.257	C	S	.	.	S	Bend	trans	167.6	-164.5	175.5	0	0	0	0	0	114	L539 T540	L539-G543 PolarHBondContact O-N 3.18Å; L539-G543 VanDerWaalsContact O-O 3.09Å; T540-G543 WeakPolarHBondContact CA-O 3.26Å
544	S	92.1	Very high	91.4	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	140.4	176.2	-47	0	0	0	0	111.2	P594 S610 H612 N613	S544-P594 CarbonylContact C-O 3.59Å; S544-P594 WeakPolarHBondContact CA-O 3.48Å; S544-S610 WeakPolarHBondContact CB-O 3.36Å; S544-S610 PolarHBondContact N-O 3.4Å; S544-S610 PolarHBondContact OG-O 2.67Å; S544-H612 PolarHBondContact O-N 2.9Å; S544-H612 VanDerWaalsContact O-N 3.14Å; S544-N613 PolarHBondContact O-N 2.86Å; S544-N613 VanDerWaalsContact O-N 3.15Å
545	V	94.3	Very high	91.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.7	-174.4	-174.8	0	0	0	0	110.3	L536 L539 T540 I547 P594 I595 L596 N613 I615	L536-V545 HydrophobicContact CD1-CG1 4.11Å; L536-V545 HydrophobicContact CD1-CG2 4.41Å; L539-V545 HydrophobicContact CB-CG2 3.89Å; T540-V545 HydrophobicContact CG2-CG2 3.78Å; V545-I547 HydrophobicContact CG1-CG1 3.99Å; V545-P594 PolarHBondContact N-O 3.44Å; V545-I595 HydrophobicContact CB-CG1 4.39Å; V545-I595 WeakPolarHBondContact O-CA 3.47Å; V545-L596 PolarHBondContact O-N 3.12Å; V545-N613 CarbonylContact C-O 3.59Å; V545-N613 WeakPolarHBondContact CA-O 3.18Å; V545-N613 HydrophobicContact CB-CB 4.49Å; V545-N613 HydrophobicContact CG1-CB 4.45Å; V545-N613 HydrophobicContact CG2-CB 4.06Å; V545-I615 HydrophobicContact CG1-CD1 3.57Å; V545-I615 HydrophobicContact CG1-CG1 3.97Å
546	L	94.3	Very high	91.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.4	171.5	178.3	60.2	0	0	0	110.3	F548 L596 A598 I611 N613 V614 I615 R632	L546-F548 HydrophobicContact CD2-CE2 3.61Å; L546-F548 HydrophobicContact CD2-CZ 3.66Å; L546-F548 HydrophobicContact CG-CD2 4.41Å; L546-F548 HydrophobicContact CG-CE2 3.95Å; L546-F548 HydrophobicContact CG-CZ 4.19Å; L546-L596 CarbonylContact C-O 3.57Å; L546-L596 WeakPolarHBondContact CA-O 3.31Å; L546-L596 HydrophobicContact CD1-CB 4.06Å; L546-L596 HydrophobicContact CD1-CD2 3.96Å; L546-L596 HydrophobicContact CD1-CG 3.87Å; L546-A598 HydrophobicContact CD1-CB 3.75Å; L546-I611 HydrophobicContact CB-CD1 4.24Å; L546-I611 HydrophobicContact CB-CG2 4Å; L546-I611 HydrophobicContact CD2-CD1 3.9Å; L546-N613 PolarHBondContact N-O 3.39Å; L546-V614 CarbonylContact O-C 3.58Å; L546-V614 WeakPolarHBondContact O-CA 3.39Å; L546-I615 PolarHBondContact O-N 3.4Å; L546-R632 HydrophobicContact CD2-CB 3.72Å; L546-R632 HydrophobicContact CD2-CG 3.68Å
547	I	95.3	Very high	91.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.8	-178.6	-53	178.3	0	0	0	109.7	L532 L536 V545 L562 I595 L596 V597 A598 I615	L532-I547 HydrophobicContact CD1-CD1 4.06Å; L532-I547 HydrophobicContact CD2-CD1 4.46Å; L536-I547 HydrophobicContact CD1-CD1 4.42Å; V545-I547 HydrophobicContact CG1-CG1 3.99Å; I547-L562 HydrophobicContact CD1-CD1 3.88Å; I547-I595 HydrophobicContact CD1-CG2 3.67Å; I547-I595 HydrophobicContact CG1-CG2 4.23Å; I547-L596 PolarHBondContact N-O 3.11Å; I547-V597 HydrophobicContact CB-CG2 4.29Å; I547-V597 HydrophobicContact CD1-CG2 4.38Å; I547-V597 WeakPolarHBondContact O-CA 3.47Å; I547-A598 PolarHBondContact O-N 2.89Å; I547-I615 CarbonylContact C-O 3.27Å; I547-I615 WeakPolarHBondContact CA-O 3.22Å; I547-I615 HydrophobicContact CG1-CB 4.42Å; I547-I615 HydrophobicContact CG1-CD1 4.3Å
548	F	95.3	Very high	91.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.5	-179.2	-85.8	-62.7	0	0	0	113.5	L546 A598 S603 V614 I615 Y617 E618 R629 R632	L546-F548 HydrophobicContact CD2-CE2 3.61Å; L546-F548 HydrophobicContact CD2-CZ 3.66Å; L546-F548 HydrophobicContact CG-CD2 4.41Å; L546-F548 HydrophobicContact CG-CE2 3.95Å; L546-F548 HydrophobicContact CG-CZ 4.19Å; F548-A598 HydrophobicContact CE1-CB 4.28Å; F548-S603 WeakPolarHBondContact CE1-OG 3.31Å; F548-V614 HydrophobicContact CD2-CG1 3.77Å; F548-V614 HydrophobicContact CE2-CG1 3.93Å; F548-I615 PolarHBondContact N-O 3.43Å; F548-Y617 WeakPolarHBondContact O-CB 3.2Å; F548-Y617 PolarHBondContact O-N 3.02Å; F548-Y617 VanDerWaalsContact O-N 3.09Å; F548-E618 PolarHBondContact O-N 3.22Å; F548-R629 HydrophobicContact CD1-CG 4.02Å; F548-R629 HydrophobicContact CD2-CB 3.69Å; F548-R629 HydrophobicContact CD2-CG 3.73Å; F548-R629 HydrophobicContact CE1-CG 4.03Å; F548-R629 HydrophobicContact CE2-CB 3.57Å; F548-R629 HydrophobicContact CE2-CG 3.72Å; F548-R629 HydrophobicContact CG-CB 4.34Å; F548-R629 HydrophobicContact CG-CG 3.88Å; F548-R629 HydrophobicContact CZ-CB 4.15Å; F548-R629 HydrophobicContact CZ-CG 3.87Å; F548-R632 HydrophobicContact CE2-CG 4.08Å; F548-R632 HydrophobicContact CZ-CG 4Å
549	V	93.8	Very high	91.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.			trans	-130.8	140.5	176.2	-171.6	0	0	0	0	109	H554 V558 V597 A598 T599 Y617 E618	V549-H554 HydrophobicContact CG1-CB 3.73Å; V549-V558 HydrophobicContact CG2-CG2 4.45Å; V549-V597 HydrophobicContact CG2-CG1 4.08Å; V549-A598 PolarHBondContact N-O 3.48Å; V549-A598 VanDerWaalsContact N-O 3.1Å; V549-T599 WeakPolarHBondContact O-CA 3.44Å; V549-Y617 HydrophobicContact CG2-CD1 4.36Å; V549-E618 HydrophobicContact CG1-CG 4.47Å; V549-E618 WeakPolarHBondContact CG1-OE2 3.43Å
550	T	90	Very high	92	Very high	37 Å²	37	45.4 Å²	45.4	23%	0.227	23%	0.23	C	C	.	.	S	Bend	trans	-79.8	-33.9	-174.1	63.8	0	0	0	0	113.5	E618 V619	T550-E618 WeakPolarHBondContact CB-OE2 3.44Å; T550-E618 HydrophobicContact CG2-CB 3.93Å; T550-E618 PolarHBondContact N-OE2 3.43Å; T550-E618 PolarHBondContact OG1-OE2 3.37Å; T550-V619 VanDerWaalsContact CG2-O 3.29Å; T550-V619 WeakPolarHBondContact CG2-O 3.48Å
551	R	88.6	Confident	92.2	Very high	181 Å²	181	47.6 Å²	47.6	68%	0.683	24%	0.236	S	C	*	.	S	Bend	trans	-106.5	139.9	-174.9	-61	-178.5	-177.6	-166.9	-1.7	111.2	H554 S555	R551-H554 HydrophobicContact CB-CB 4.19Å; R551-H554 PolarHBondContact O-N 2.88Å; R551-S555 PolarHBondContact O-N 3.1Å
552	K	89.1	Confident	92.5	Very high	76 Å²	76	41.8 Å²	41.8	33%	0.33	20%	0.201	S	C	.	.	H	α-helix	trans	-54	-57.2	175	172	-175.5	170	-165.7	0	112	H554 S555 E556 H573 D575	K552-H554 VanDerWaalsContact C-N 3.26Å; K552-H554 PolarHBondContact O-N 3.18Å; K552-S555 WeakPolarHBondContact O-CA 3.5Å; K552-S555 WeakPolarHBondContact O-CB 3.28Å; K552-S555 PolarHBondContact O-N 3.32Å; K552-S555 PolarHBondContact O-OG 3.31Å; K552-E556 WeakPolarHBondContact CE-OE1 3.17Å; K552-E556 IonicContact NZ-OE1 3.33Å; K552-E556 PolarHBondContact O-N 3.38Å; K552-H573 HydrophobicContact CG-CB 4.32Å; K552-D575 HydrophobicContact CD-CB 4.23Å; K552-D575 VanDerWaalsContact CD-CG 3.47Å; K552-D575 WeakPolarHBondContact CD-OD2 3.49Å; K552-D575 WeakPolarHBondContact CE-OD2 3.3Å; K552-D575 IonicContact NZ-OD2 2.79Å; K552-D575 PolarHBondContact NZ-OD2 3.2Å
553	V	92.3	Very high	92.8	Very high	93 Å²	93	43.4 Å²	43.4	56%	0.564	21%	0.207	S	C	*	.	H	α-helix	trans	-53.4	-45.4	-177.8	-176.2	0	0	0	0	111.2	S555 E556 E557	V553-S555 VanDerWaalsContact C-N 3.34Å; V553-S555 PolarHBondContact O-N 3.01Å; V553-E556 WeakPolarHBondContact O-CB 3.49Å; V553-E556 PolarHBondContact O-N 3.34Å; V553-E557 PolarHBondContact O-N 3.24Å
554	H	92.2	Very high	93.1	Very high	35 Å²	35	46.8 Å²	46.8	16%	0.162	23%	0.227	C	C	.	.	H	α-helix	trans	-69.3	-30.7	178.4	-165.5	-169.7	0	0	0	112.6	V549 R551 K552 V558 Y617 E618	V549-H554 HydrophobicContact CG1-CB 3.73Å; R551-H554 HydrophobicContact CB-CB 4.19Å; R551-H554 PolarHBondContact O-N 2.88Å; K552-H554 VanDerWaalsContact C-N 3.26Å; K552-H554 PolarHBondContact O-N 3.18Å; H554-V558 WeakPolarHBondContact O-CB 3.5Å; H554-V558 VanDerWaalsContact O-CG2 3.27Å; H554-V558 WeakPolarHBondContact O-CG2 3.38Å; H554-V558 PolarHBondContact O-N 3.42Å; H554-Y617 AromaticContact CE1-CE1 3.69Å; H554-Y617 AromaticContact NE2-CE1 3.65Å; H554-E618 IonicContact CE1-OE1 3.57Å; H554-E618 PolarHBondContact CE1-OE1 3.04Å; H554-E618 IonicContact ND1-OE1 3.32Å; H554-E618 PolarHBondContact ND1-OE1 2.84Å; H554-E618 IonicContact ND1-OE2 3.39Å
555	S	92.6	Very high	93	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.5	-37	173.1	75.9	0	0	0	0	112.4	R551 K552 V553 A559	R551-S555 PolarHBondContact O-N 3.1Å; K552-S555 WeakPolarHBondContact O-CA 3.5Å; K552-S555 WeakPolarHBondContact O-CB 3.28Å; K552-S555 PolarHBondContact O-N 3.32Å; K552-S555 PolarHBondContact O-OG 3.31Å; V553-S555 VanDerWaalsContact C-N 3.34Å; V553-S555 PolarHBondContact O-N 3.01Å; S555-A559 WeakPolarHBondContact O-CB 3.29Å; S555-A559 PolarHBondContact O-N 3.37Å
556	E	93.9	Very high	92.8	Very high	54 Å²	54	60.2 Å²	60.2	25%	0.252	29%	0.288	S	S	.	.	H	α-helix	trans	-66	-48.6	172.3	-71.8	166	-174.9	0	0	111.1	K552 V553 V558 A559 Q560 L571 H573	K552-E556 WeakPolarHBondContact CE-OE1 3.17Å; K552-E556 IonicContact NZ-OE1 3.33Å; K552-E556 PolarHBondContact O-N 3.38Å; V553-E556 WeakPolarHBondContact O-CB 3.49Å; V553-E556 PolarHBondContact O-N 3.34Å; E556-V558 PolarHBondContact O-N 2.89Å; E556-A559 PolarHBondContact O-N 2.86Å; E556-Q560 WeakPolarHBondContact O-CB 3.35Å; E556-Q560 VanDerWaalsContact O-CG 3.29Å; E556-Q560 WeakPolarHBondContact O-CG 3.28Å; E556-Q560 PolarHBondContact O-N 2.97Å; E556-L571 HydrophobicContact CB-CD2 4.41Å; E556-L571 HydrophobicContact CG-CD2 3.76Å; E556-H573 IonicContact OE1-CD2 2.74Å; E556-H573 IonicContact OE1-CE1 3.14Å; E556-H573 IonicContact OE1-NE2 2.72Å
557	E	94.4	Very high	92.5	Very high	76 Å²	76	62.8 Å²	62.8	36%	0.355	30%	0.302	S	S	.	.	H	α-helix	trans	-56.1	-47.4	175.2	-76.1	-177.7	-130.1	0	0	112.7	V553 Q560 K561	V553-E557 PolarHBondContact O-N 3.24Å; E557-Q560 PolarHBondContact O-N 3.23Å; E557-K561 WeakPolarHBondContact O-CB 3.39Å; E557-K561 WeakPolarHBondContact O-CG 3.22Å; E557-K561 PolarHBondContact O-N 2.82Å; E557-K561 IonicContact OE2-NZ 3.13Å; E557-K561 PolarHBondContact OE2-NZ 3.32Å
558	V	93.7	Very high	92.4	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-63.7	-44.5	179	168.2	0	0	0	0	110.2	V549 H554 E556 Q560 K561 L562 V597 Y617	V549-V558 HydrophobicContact CG2-CG2 4.45Å; H554-V558 WeakPolarHBondContact O-CB 3.5Å; H554-V558 VanDerWaalsContact O-CG2 3.27Å; H554-V558 WeakPolarHBondContact O-CG2 3.38Å; H554-V558 PolarHBondContact O-N 3.42Å; E556-V558 PolarHBondContact O-N 2.89Å; V558-Q560 PolarHBondContact O-N 3.31Å; V558-K561 PolarHBondContact O-N 3.01Å; V558-L562 HydrophobicContact CG1-CD1 3.96Å; V558-L562 HydrophobicContact CG1-CG 4.49Å; V558-L562 WeakPolarHBondContact O-CB 3.25Å; V558-L562 VanDerWaalsContact O-CG 3.24Å; V558-L562 WeakPolarHBondContact O-CG 3.43Å; V558-L562 PolarHBondContact O-N 3.44Å; V558-V597 HydrophobicContact CG1-CG1 4.41Å; V558-V597 HydrophobicContact CG1-CG2 4.25Å; V558-Y617 HydrophobicContact CG2-CD1 4.18Å; V558-Y617 HydrophobicContact CG2-CE1 3.83Å
559	A	94.3	Very high	92.4	Very high	2 Å²	2	70.3 Å²	70.3	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-40.8	177	0	0	0	0	0	112.4	S555 E556 L562 K563 V569 L571 V597	S555-A559 WeakPolarHBondContact O-CB 3.29Å; S555-A559 PolarHBondContact O-N 3.37Å; E556-A559 PolarHBondContact O-N 2.86Å; A559-L562 PolarHBondContact O-N 2.86Å; A559-K563 WeakPolarHBondContact O-CB 3.4Å; A559-K563 VanDerWaalsContact O-CG 3.27Å; A559-K563 WeakPolarHBondContact O-CG 3.49Å; A559-K563 PolarHBondContact O-N 2.91Å; A559-V569 HydrophobicContact CB-CG1 4.33Å; A559-L571 HydrophobicContact CB-CB 4.09Å; A559-L571 HydrophobicContact CB-CD1 4.13Å; A559-L571 HydrophobicContact CB-CD2 4.16Å; A559-L571 HydrophobicContact CB-CG 4.36Å; A559-V597 HydrophobicContact CB-CB 4.45Å; A559-V597 HydrophobicContact CB-CG2 4.29Å
560	Q	94.6	Very high	92.4	Very high	129 Å²	129	72 Å²	72	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-64.8	-48.4	176	-72.6	175.3	11.2	0	0	111.9	E556 E557 V558 L562 K563 S564	E556-Q560 WeakPolarHBondContact O-CB 3.35Å; E556-Q560 VanDerWaalsContact O-CG 3.29Å; E556-Q560 WeakPolarHBondContact O-CG 3.28Å; E556-Q560 PolarHBondContact O-N 2.97Å; E557-Q560 PolarHBondContact O-N 3.23Å; V558-Q560 PolarHBondContact O-N 3.31Å; Q560-L562 PolarHBondContact O-N 3.34Å; Q560-K563 PolarHBondContact O-N 3.21Å; Q560-S564 PolarHBondContact O-N 3.03Å; Q560-S564 PolarHBondContact O-OG 2.76Å
561	K	94.1	Very high	92.6	Very high	87 Å²	87	71.6 Å²	71.6	38%	0.378	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-25	178.7	-68.3	166.8	-171.6	162.7	0	113.3	W529 E557 V558 S564	W529-K561 HydrophobicContact CH2-CB 3.31Å; W529-K561 HydrophobicContact CH2-CG 4.5Å; W529-K561 HydrophobicContact CZ2-CB 3.74Å; W529-K561 HydrophobicContact CZ3-CB 3.93Å; E557-K561 WeakPolarHBondContact O-CB 3.39Å; E557-K561 WeakPolarHBondContact O-CG 3.22Å; E557-K561 PolarHBondContact O-N 2.82Å; E557-K561 IonicContact OE2-NZ 3.13Å; E557-K561 PolarHBondContact OE2-NZ 3.32Å; V558-K561 PolarHBondContact O-N 3.01Å; K561-S564 PolarHBondContact O-OG 2.93Å; K561-S564 VanDerWaalsContact O-OG 3.09Å
562	L	93.8	Very high	92.7	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-81.2	-41.6	171.9	-67.9	173	0	0	0	111.8	W529 L532 L536 I547 V558 A559 Q560 S564 R565 L567 V569 V597	W529-L562 HydrophobicContact CH2-CD2 3.75Å; W529-L562 HydrophobicContact CH2-CG 3.98Å; W529-L562 HydrophobicContact CZ3-CD2 4.17Å; W529-L562 HydrophobicContact CZ3-CG 4.29Å; L532-L562 HydrophobicContact CD2-CD2 4.41Å; L536-L562 HydrophobicContact CD2-CD1 4.43Å; L536-L562 HydrophobicContact CD2-CD2 3.56Å; I547-L562 HydrophobicContact CD1-CD1 3.88Å; V558-L562 HydrophobicContact CG1-CD1 3.96Å; V558-L562 HydrophobicContact CG1-CG 4.49Å; V558-L562 WeakPolarHBondContact O-CB 3.25Å; V558-L562 VanDerWaalsContact O-CG 3.24Å; V558-L562 WeakPolarHBondContact O-CG 3.43Å; V558-L562 PolarHBondContact O-N 3.44Å; A559-L562 PolarHBondContact O-N 2.86Å; Q560-L562 PolarHBondContact O-N 3.34Å; L562-S564 VanDerWaalsContact C-N 3.28Å; L562-S564 PolarHBondContact O-N 3.19Å; L562-R565 PolarHBondContact O-N 3.23Å; L562-L567 HydrophobicContact CD2-CD1 4.09Å; L562-L567 WeakPolarHBondContact O-CB 3.32Å; L562-V569 HydrophobicContact CB-CG2 3.65Å; L562-V569 HydrophobicContact CD1-CG1 4.45Å; L562-V569 HydrophobicContact CD1-CG2 4.23Å; L562-V597 HydrophobicContact CD1-CG2 4.25Å
563	K	93.5	Very high	92.8	Very high	112 Å²	112	60.3 Å²	60.3	49%	0.487	30%	0.297	S	S	.	.	H	α-helix	trans	-60.2	-36.4	173.9	-75.9	174.1	-179.6	-177.8	0	112.3	A559 Q560 R565 D566 V569	A559-K563 WeakPolarHBondContact O-CB 3.4Å; A559-K563 VanDerWaalsContact O-CG 3.27Å; A559-K563 WeakPolarHBondContact O-CG 3.49Å; A559-K563 PolarHBondContact O-N 2.91Å; Q560-K563 PolarHBondContact O-N 3.21Å; K563-R565 PolarHBondContact O-N 2.97Å; K563-R565 VanDerWaalsContact O-N 3.13Å; K563-D566 PolarHBondContact O-N 2.89Å; K563-D566 VanDerWaalsContact O-N 3.11Å; K563-V569 WeakPolarHBondContact CE-O 3.32Å; K563-V569 HydrophobicContact CG-CB 4.25Å
564	S	92.9	Very high	92.2	Very high	94 Å²	94	57.4 Å²	57.4	66%	0.657	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	3.3	175.1	71.7	0	0	0	0	114.5	Q560 K561 L562	Q560-S564 PolarHBondContact O-N 3.03Å; Q560-S564 PolarHBondContact O-OG 2.76Å; K561-S564 PolarHBondContact O-OG 2.93Å; K561-S564 VanDerWaalsContact O-OG 3.09Å; L562-S564 VanDerWaalsContact C-N 3.28Å; L562-S564 PolarHBondContact O-N 3.19Å
565	R	90.6	Very high	91.9	Very high	128 Å²	128	61 Å²	61	48%	0.483	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	24.7	169.5	-65.5	-171.5	172.9	-154.9	2.6	111.8	T533 L562 K563 L567	T533-R565 PolarHBondContact OG1-NH1 3.39Å; L562-R565 PolarHBondContact O-N 3.23Å; K563-R565 PolarHBondContact O-N 2.97Å; K563-R565 VanDerWaalsContact O-N 3.13Å; R565-L567 HydrophobicContact CB-CG 4.44Å; R565-L567 PolarHBondContact O-N 2.97Å; R565-L567 VanDerWaalsContact O-N 3.11Å
566	D	88.7	Confident	91.5	Very high	159 Å²	159	62.9 Å²	62.9	85%	0.85	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	22.1	-178.3	-59.2	-47.6	0	0	0	115	K563	K563-D566 PolarHBondContact O-N 2.89Å; K563-D566 VanDerWaalsContact O-N 3.11Å
567	L	89.7	Confident	91	Very high	55 Å²	55	67 Å²	67	29%	0.288	34%	0.335	S	S	.	.			trans	-85.5	132.9	175.6	-60.5	176	0	0	0	110.8	L536 L562 R565 V569 I595	L536-L567 HydrophobicContact CD2-CD1 3.57Å; L536-L567 HydrophobicContact CG-CD1 4.42Å; L562-L567 HydrophobicContact CD2-CD1 4.09Å; L562-L567 WeakPolarHBondContact O-CB 3.32Å; R565-L567 HydrophobicContact CB-CG 4.44Å; R565-L567 PolarHBondContact O-N 2.97Å; R565-L567 VanDerWaalsContact O-N 3.11Å; L567-V569 HydrophobicContact CB-CG2 4Å; L567-V569 PolarHBondContact O-N 2.98Å; L567-V569 VanDerWaalsContact O-N 3.09Å; L567-I595 HydrophobicContact CB-CD1 4.24Å; L567-I595 HydrophobicContact CD1-CD1 4.38Å
568	K	92.5	Very high	90.1	Very high	147 Å²	147	65.5 Å²	65.5	64%	0.639	33%	0.328	S	S	*	.			trans	-70.7	104.4	171.2	-64.7	-173.8	-177.5	-177.7	0	109.5	E592 A593	K568-E592 WeakPolarHBondContact CD-O 3.5Å; K568-A593 HydrophobicContact CB-CB 3.92Å
569	V	94.5	Very high	89.7	Confident	10 Å²	10	68.7 Å²	68.7	6%	0.061	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.8	-178	-177.8	0	0	0	0	111.4	A559 L562 K563 L567 I595 V597	A559-V569 HydrophobicContact CB-CG1 4.33Å; L562-V569 HydrophobicContact CB-CG2 3.65Å; L562-V569 HydrophobicContact CD1-CG1 4.45Å; L562-V569 HydrophobicContact CD1-CG2 4.23Å; K563-V569 WeakPolarHBondContact CE-O 3.32Å; K563-V569 HydrophobicContact CG-CB 4.25Å; L567-V569 HydrophobicContact CB-CG2 4Å; L567-V569 PolarHBondContact O-N 2.98Å; L567-V569 VanDerWaalsContact O-N 3.09Å; V569-I595 HydrophobicContact CG1-CG2 4.07Å; V569-I595 HydrophobicContact CG2-CB 4.04Å; V569-I595 HydrophobicContact CG2-CD1 3.94Å; V569-I595 HydrophobicContact CG2-CG2 4.08Å; V569-V597 HydrophobicContact CG1-CG2 3.71Å
570	L	94.4	Very high	89.5	Confident	35 Å²	35	71.9 Å²	71.9	18%	0.183	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	153.7	168.5	-70.2	169.5	0	0	0	110.5	V584 A587 F588 A593 I595 L596 V597	L570-V584 HydrophobicContact CB-CG1 3.97Å; L570-V584 HydrophobicContact CD1-CG1 4.42Å; L570-V584 HydrophobicContact CD2-CG1 4.38Å; L570-V584 HydrophobicContact CG-CG1 4.48Å; L570-A587 HydrophobicContact CD1-CB 3.92Å; L570-F588 HydrophobicContact CD1-CB 3.75Å; L570-F588 HydrophobicContact CD1-CD2 4.41Å; L570-A593 HydrophobicContact CD1-CB 3.84Å; L570-A593 HydrophobicContact CG-CB 3.74Å; L570-I595 PolarHBondContact N-O 3.5Å; L570-L596 HydrophobicContact CB-CD1 3.78Å; L570-V597 PolarHBondContact O-N 3.36Å
571	L	94.1	Very high	89	Confident	29 Å²	29	66.9 Å²	66.9	15%	0.152	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.9	-179.1	174.1	63.5	0	0	0	109.2	E556 A559 V597	E556-L571 HydrophobicContact CB-CD2 4.41Å; E556-L571 HydrophobicContact CG-CD2 3.76Å; A559-L571 HydrophobicContact CB-CB 4.09Å; A559-L571 HydrophobicContact CB-CD1 4.13Å; A559-L571 HydrophobicContact CB-CD2 4.16Å; A559-L571 HydrophobicContact CB-CG 4.36Å; L571-V597 CarbonylContact C-O 3.58Å; L571-V597 WeakPolarHBondContact CA-O 3.21Å; L571-V597 HydrophobicContact CD1-CB 4.06Å; L571-V597 HydrophobicContact CD1-CG1 4.03Å
572	I	91.5	Very high	88.6	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	122.2	172.6	-160.7	-175.6	0	0	0	111.6	M576 R581 V584 I585 L596 V597 A598 T599 A602	I572-M576 HydrophobicContact CG1-SD 4.34Å; I572-R581 HydrophobicContact CD1-CB 4.03Å; I572-R581 HydrophobicContact CD1-CG 4.16Å; I572-R581 HydrophobicContact CG1-CB 4.31Å; I572-R581 HydrophobicContact CG1-CG 3.97Å; I572-V584 HydrophobicContact CB-CG1 4.39Å; I572-I585 HydrophobicContact CD1-CD1 3.85Å; I572-I585 HydrophobicContact CD1-CG1 3.87Å; I572-L596 HydrophobicContact CB-CD1 4.27Å; I572-L596 HydrophobicContact CG2-CD1 3.88Å; I572-L596 HydrophobicContact CG2-CD2 4.38Å; I572-L596 HydrophobicContact CG2-CG 4.28Å; I572-V597 PolarHBondContact N-O 3.29Å; I572-A598 HydrophobicContact CG2-CB 3.58Å; I572-A598 WeakPolarHBondContact O-CA 3.49Å; I572-T599 PolarHBondContact O-N 3.45Å; I572-A602 HydrophobicContact CB-CB 4.32Å; I572-A602 HydrophobicContact CD1-CB 4.32Å; I572-A602 HydrophobicContact CG1-CB 3.96Å; I572-A602 HydrophobicContact CG2-CB 3.97Å; I572-A602 WeakPolarHBondContact O-CB 3.47Å
573	H	89.7	Confident	88.4	Confident	20 Å²	20	69.7 Å²	69.7	9%	0.093	37%	0.365	C	S	.	.			trans	-135.1	175.2	175.7	57.1	75.6	0	0	0	111	K552 E556 D575 M576 T599	K552-H573 HydrophobicContact CG-CB 4.32Å; E556-H573 IonicContact OE1-CD2 2.74Å; E556-H573 IonicContact OE1-CE1 3.14Å; E556-H573 IonicContact OE1-NE2 2.72Å; H573-D575 PolarHBondContact ND1-N 2.84Å; H573-D575 PolarHBondContact O-N 3.1Å; H573-M576 WeakPolarHBondContact CE1-CG 3.15Å; H573-T599 HydrophobicContact CB-CG2 4.06Å
574	G	81.5	Confident	88.2	Confident	33 Å²	33	65.3 Å²	65.3	34%	0.34	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-42.2	-174.5	0	0	0	0	0	113.4	M576	G574-M576 PolarHBondContact O-N 2.94Å; G574-M576 VanDerWaalsContact O-N 3.12Å
575	D	84.4	Confident	88	Confident	109 Å²	109	61.7 Å²	61.7	58%	0.583	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	2.1	-173.9	-45	31.9	0	0	0	114.1	K552 H573	K552-D575 HydrophobicContact CD-CB 4.23Å; K552-D575 VanDerWaalsContact CD-CG 3.47Å; K552-D575 WeakPolarHBondContact CD-OD2 3.49Å; K552-D575 WeakPolarHBondContact CE-OD2 3.3Å; K552-D575 IonicContact NZ-OD2 2.79Å; K552-D575 PolarHBondContact NZ-OD2 3.2Å; H573-D575 PolarHBondContact ND1-N 2.84Å; H573-D575 PolarHBondContact O-N 3.1Å
576	M	84.7	Confident	87.8	Confident	41 Å²	41	60.5 Å²	60.5	20%	0.202	32%	0.321	C	S	.	.	S	Bend	trans	-80.4	135.9	172.1	-66.7	-172.4	70.9	0	0	110.1	I572 H573 G574 D580 R581 V584	I572-M576 HydrophobicContact CG1-SD 4.34Å; H573-M576 WeakPolarHBondContact CE1-CG 3.15Å; G574-M576 PolarHBondContact O-N 2.94Å; G574-M576 VanDerWaalsContact O-N 3.12Å; M576-D580 HydrophobicContact CE-CB 3.89Å; M576-R581 HydrophobicContact CB-CG 3.58Å; M576-R581 WeakPolarHBondContact O-CD 3.36Å; M576-V584 HydrophobicContact CE-CG2 4.05Å
577	H	83.7	Confident	87.9	Confident	140 Å²	140	53.5 Å²	53.5	65%	0.648	28%	0.284	S	S	*	.			trans	-55.6	144.2	171	-61.8	-65.8	0	0	0	111.1	S579 D580 R581	H577-S579 PolarHBondContact O-N 3.48Å; H577-D580 IonicContact CD2-OD2 3.98Å; H577-D580 WeakPolarHBondContact O-CB 3.42Å; H577-D580 PolarHBondContact O-N 2.88Å; H577-R581 PolarHBondContact O-N 2.93Å
578	Q	76	Confident	88	Confident	45 Å²	45	50.9 Å²	50.9	21%	0.21	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-28.3	-174.3	-167.2	72.8	20.2	0	0	112.8	E381 D580 N582	E381-Q578 PolarHBondContact OE1-NE2 3.31Å; Q578-D580 VanDerWaalsContact C-N 3.28Å; Q578-D580 PolarHBondContact O-N 3.17Å; Q578-N582 VanDerWaalsContact O-CB 3.32Å; Q578-N582 WeakPolarHBondContact O-CB 3.36Å; Q578-N582 PolarHBondContact O-N 3.19Å; Q578-N582 PolarHBondContact O-ND2 3.27Å
579	S	85.5	Confident	87.7	Confident	68 Å²	68	49.1 Å²	49.1	48%	0.476	26%	0.263	S	S	.	.	H	α-helix	trans	-55.3	-44.8	169.7	47.4	0	0	0	0	112	H577 N582 T583	H577-S579 PolarHBondContact O-N 3.48Å; S579-N582 PolarHBondContact O-N 2.97Å; S579-T583 PolarHBondContact O-N 3.18Å; S579-T583 PolarHBondContact O-OG1 3.26Å
580	D	88.5	Confident	87.4	Confident	69 Å²	69	56.6 Å²	56.6	37%	0.369	29%	0.29	S	S	.	.	H	α-helix	trans	-81.3	-40.2	-170.9	-50.7	-9.9	0	0	0	108.9	M576 H577 Q578 N582 T583 V584	M576-D580 HydrophobicContact CE-CB 3.89Å; H577-D580 IonicContact CD2-OD2 3.98Å; H577-D580 WeakPolarHBondContact O-CB 3.42Å; H577-D580 PolarHBondContact O-N 2.88Å; Q578-D580 VanDerWaalsContact C-N 3.28Å; Q578-D580 PolarHBondContact O-N 3.17Å; D580-N582 VanDerWaalsContact C-N 3.33Å; D580-N582 PolarHBondContact O-N 2.82Å; D580-T583 WeakPolarHBondContact O-CB 3.5Å; D580-T583 PolarHBondContact O-N 2.99Å; D580-T583 VanDerWaalsContact O-N 3.15Å; D580-V584 WeakPolarHBondContact O-CG2 3.3Å; D580-V584 PolarHBondContact O-N 3.01Å
581	R	85.4	Confident	87	Confident	24 Å²	24	61.1 Å²	61.1	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-53	-49.5	167	-67.8	-176.6	63.3	-153.9	-2.5	111.2	E381 I572 M576 H577 T583 V584 I585 A602	E381-R581 IonicContact OE1-NH1 2.69Å; E381-R581 IonicContact OE1-NH2 3.49Å; I572-R581 HydrophobicContact CD1-CB 4.03Å; I572-R581 HydrophobicContact CD1-CG 4.16Å; I572-R581 HydrophobicContact CG1-CB 4.31Å; I572-R581 HydrophobicContact CG1-CG 3.97Å; M576-R581 HydrophobicContact CB-CG 3.58Å; M576-R581 WeakPolarHBondContact O-CD 3.36Å; H577-R581 PolarHBondContact O-N 2.93Å; R581-T583 VanDerWaalsContact C-N 3.32Å; R581-T583 PolarHBondContact O-N 2.97Å; R581-V584 PolarHBondContact O-N 3.05Å; R581-I585 WeakPolarHBondContact O-CB 3.31Å; R581-I585 WeakPolarHBondContact O-CD1 3.37Å; R581-I585 WeakPolarHBondContact O-CG1 3.34Å; R581-I585 PolarHBondContact O-N 2.87Å; R581-A602 PolarHBondContact NH2-O 2.85Å
582	N	84.6	Confident	86.8	Confident	55 Å²	55	64.5 Å²	64.5	29%	0.294	33%	0.326	S	S	.	.	H	α-helix	trans	-62	-39.9	177.7	-73.1	-22.3	0	0	0	112	Q578 S579 D580 I585 Q586	Q578-N582 VanDerWaalsContact O-CB 3.32Å; Q578-N582 WeakPolarHBondContact O-CB 3.36Å; Q578-N582 PolarHBondContact O-N 3.19Å; Q578-N582 PolarHBondContact O-ND2 3.27Å; S579-N582 PolarHBondContact O-N 2.97Å; D580-N582 VanDerWaalsContact C-N 3.33Å; D580-N582 PolarHBondContact O-N 2.82Å; N582-I585 PolarHBondContact O-N 3.26Å; N582-Q586 WeakPolarHBondContact O-CB 3.29Å; N582-Q586 VanDerWaalsContact O-CG 3.31Å; N582-Q586 WeakPolarHBondContact O-CG 3.16Å; N582-Q586 PolarHBondContact O-N 3.49Å
583	T	89.5	Confident	86.8	Confident	91 Å²	91	64.8 Å²	64.8	56%	0.558	33%	0.328	S	S	*	.	H	α-helix	trans	-64.9	-46	178.1	-58.7	0	0	0	0	111.2	S579 D580 R581 I585 Q586 A587	S579-T583 PolarHBondContact O-N 3.18Å; S579-T583 PolarHBondContact O-OG1 3.26Å; D580-T583 WeakPolarHBondContact O-CB 3.5Å; D580-T583 PolarHBondContact O-N 2.99Å; D580-T583 VanDerWaalsContact O-N 3.15Å; R581-T583 VanDerWaalsContact C-N 3.32Å; R581-T583 PolarHBondContact O-N 2.97Å; T583-I585 PolarHBondContact O-N 3.35Å; T583-Q586 PolarHBondContact O-N 2.8Å; T583-A587 PolarHBondContact O-N 2.81Å
584	V	90.8	Very high	86.9	Confident	20 Å²	20	65.9 Å²	65.9	12%	0.121	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-44.5	174.6	167.7	0	0	0	0	111.7	L570 I572 M576 D580 R581 Q586 A587 F588 L596	L570-V584 HydrophobicContact CB-CG1 3.97Å; L570-V584 HydrophobicContact CD1-CG1 4.42Å; L570-V584 HydrophobicContact CD2-CG1 4.38Å; L570-V584 HydrophobicContact CG-CG1 4.48Å; I572-V584 HydrophobicContact CB-CG1 4.39Å; M576-V584 HydrophobicContact CE-CG2 4.05Å; D580-V584 WeakPolarHBondContact O-CG2 3.3Å; D580-V584 PolarHBondContact O-N 3.01Å; R581-V584 PolarHBondContact O-N 3.05Å; V584-Q586 VanDerWaalsContact C-N 3.3Å; V584-Q586 PolarHBondContact O-N 3.27Å; V584-A587 PolarHBondContact O-N 2.82Å; V584-F588 WeakPolarHBondContact O-CB 3.45Å; V584-F588 PolarHBondContact O-N 3.45Å; V584-L596 HydrophobicContact CG1-CD1 3.94Å
585	I	87.5	Confident	87.5	Confident	18 Å²	18	64.4 Å²	64.4	9%	0.092	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-39.6	176.8	-67.2	161.1	0	0	0	110.7	I572 R581 N582 T583 K589 L606	I572-I585 HydrophobicContact CD1-CD1 3.85Å; I572-I585 HydrophobicContact CD1-CG1 3.87Å; R581-I585 WeakPolarHBondContact O-CB 3.31Å; R581-I585 WeakPolarHBondContact O-CD1 3.37Å; R581-I585 WeakPolarHBondContact O-CG1 3.34Å; R581-I585 PolarHBondContact O-N 2.87Å; N582-I585 PolarHBondContact O-N 3.26Å; T583-I585 PolarHBondContact O-N 3.35Å; I585-K589 HydrophobicContact CG2-CD 4.25Å; I585-K589 WeakPolarHBondContact O-CB 3.24Å; I585-K589 VanDerWaalsContact O-CG 3.31Å; I585-K589 WeakPolarHBondContact O-CG 3.37Å; I585-K589 PolarHBondContact O-N 3.27Å; I585-L606 HydrophobicContact CD1-CD2 3.49Å; I585-L606 VanDerWaalsContact CD1-CD2 3.49Å; I585-L606 HydrophobicContact CG1-CD2 3.71Å; I585-L606 HydrophobicContact CG2-CD2 4.39Å
586	Q	87.4	Confident	88	Confident	103 Å²	103	59.2 Å²	59.2	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-67.3	-43.7	175.9	-74	-178.4	28.3	0	0	112.4	N582 T583 V584 F588 K589 R590	N582-Q586 WeakPolarHBondContact O-CB 3.29Å; N582-Q586 VanDerWaalsContact O-CG 3.31Å; N582-Q586 WeakPolarHBondContact O-CG 3.16Å; N582-Q586 PolarHBondContact O-N 3.49Å; T583-Q586 PolarHBondContact O-N 2.8Å; V584-Q586 VanDerWaalsContact C-N 3.3Å; V584-Q586 PolarHBondContact O-N 3.27Å; Q586-F588 VanDerWaalsContact C-N 3.33Å; Q586-F588 PolarHBondContact O-N 3.49Å; Q586-K589 PolarHBondContact O-N 2.89Å; Q586-R590 WeakPolarHBondContact O-CB 3.36Å; Q586-R590 VanDerWaalsContact O-CG 3.28Å; Q586-R590 WeakPolarHBondContact O-CG 3.5Å; Q586-R590 PolarHBondContact O-N 3.46Å
587	A	91	Very high	88.5	Confident	11 Å²	11	57.3 Å²	57.3	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-42.5	176	0	0	0	0	0	111.7	L570 T583 V584 R590 Q591 E592	L570-A587 HydrophobicContact CD1-CB 3.92Å; T583-A587 PolarHBondContact O-N 2.81Å; V584-A587 PolarHBondContact O-N 2.82Å; A587-R590 CarbonylContact O-C 3.59Å; A587-R590 PolarHBondContact O-N 2.94Å; A587-Q591 PolarHBondContact O-N 3.28Å; A587-E592 HydrophobicContact CB-CB 4.34Å; A587-E592 WeakPolarHBondContact CB-OE2 3.48Å; A587-E592 WeakPolarHBondContact O-CB 3.16Å; A587-E592 PolarHBondContact O-N 3.18Å
588	F	90.5	Very high	88.9	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-41.3	175.1	-172.1	-109.6	0	0	0	112.5	L570 V584 Q586 R590 Q591 A593 L596 I608 I611	L570-F588 HydrophobicContact CD1-CB 3.75Å; L570-F588 HydrophobicContact CD1-CD2 4.41Å; V584-F588 WeakPolarHBondContact O-CB 3.45Å; V584-F588 PolarHBondContact O-N 3.45Å; Q586-F588 VanDerWaalsContact C-N 3.33Å; Q586-F588 PolarHBondContact O-N 3.49Å; F588-R590 PolarHBondContact O-N 2.97Å; F588-Q591 PolarHBondContact O-N 2.9Å; F588-A593 WeakPolarHBondContact CD2-O 3.03Å; F588-L596 HydrophobicContact CD1-CB 4.36Å; F588-L596 HydrophobicContact CD1-CD2 3.89Å; F588-L596 HydrophobicContact CD2-CB 3.68Å; F588-L596 HydrophobicContact CE1-CB 4.22Å; F588-L596 HydrophobicContact CE1-CD2 4.12Å; F588-L596 HydrophobicContact CE2-CB 3.52Å; F588-L596 HydrophobicContact CG-CB 4.09Å; F588-L596 HydrophobicContact CG-CD2 4.09Å; F588-L596 HydrophobicContact CZ-CB 3.79Å; F588-I608 HydrophobicContact CD1-CD1 3.8Å; F588-I608 HydrophobicContact CD1-CG1 4.46Å; F588-I608 HydrophobicContact CD1-CG2 3.91Å; F588-I608 HydrophobicContact CE1-CD1 4.04Å; F588-I608 HydrophobicContact CE1-CG2 3.84Å; F588-I611 HydrophobicContact CE1-CD1 4.13Å; F588-I611 HydrophobicContact CE1-CG1 3.75Å; F588-I611 HydrophobicContact CZ-CG1 4.16Å
589	K	86.5	Confident	89.7	Confident	111 Å²	111	48.9 Å²	48.9	48%	0.483	25%	0.245	S	C	.	.	H	α-helix	trans	-61.9	-29.4	173.1	-78.7	-175.6	176.8	-162.3	0	113.2	I585 Q586 Q591 D607 I608	I585-K589 HydrophobicContact CG2-CD 4.25Å; I585-K589 WeakPolarHBondContact O-CB 3.24Å; I585-K589 VanDerWaalsContact O-CG 3.31Å; I585-K589 WeakPolarHBondContact O-CG 3.37Å; I585-K589 PolarHBondContact O-N 3.27Å; Q586-K589 PolarHBondContact O-N 2.89Å; K589-Q591 VanDerWaalsContact C-N 3.27Å; K589-D607 WeakPolarHBondContact CE-O 3.45Å; K589-D607 PolarHBondContact NZ-O 3.44Å; K589-I608 HydrophobicContact CD-CG1 4.45Å; K589-I608 HydrophobicContact CG-CG1 4.01Å; K589-I608 HydrophobicContact CG-CG2 4.15Å
590	R	87.8	Confident	89.7	Confident	166 Å²	166	46.5 Å²	46.5	63%	0.626	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	1.1	173.2	-69.9	170.6	-178	-176.1	4.3	113.8	Q586 A587 F588 E592	Q586-R590 WeakPolarHBondContact O-CB 3.36Å; Q586-R590 VanDerWaalsContact O-CG 3.28Å; Q586-R590 WeakPolarHBondContact O-CG 3.5Å; Q586-R590 PolarHBondContact O-N 3.46Å; A587-R590 CarbonylContact O-C 3.59Å; A587-R590 PolarHBondContact O-N 2.94Å; F588-R590 PolarHBondContact O-N 2.97Å; R590-E592 HydrophobicContact CB-CG 3.95Å; R590-E592 WeakPolarHBondContact CD-OE1 3.39Å; R590-E592 IonicContact NH1-OE1 3.99Å; R590-E592 PolarHBondContact O-N 2.84Å
591	Q	86	Confident	89.1	Confident	130 Å²	130	48.1 Å²	48.1	61%	0.607	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	26.7	-176.4	-57	179.8	-24	0	0	113.9	A587 F588 K589 A593	A587-Q591 PolarHBondContact O-N 3.28Å; F588-Q591 PolarHBondContact O-N 2.9Å; K589-Q591 VanDerWaalsContact C-N 3.27Å; Q591-A593 PolarHBondContact O-N 2.85Å
592	E	89.7	Confident	88.4	Confident	101 Å²	101	47 Å²	47	47%	0.472	24%	0.235	S	C	.	.	S	Bend	trans	-62.1	-29.5	176.1	-65.6	174.1	-158.3	0	0	111.4	K568 A587 R590	K568-E592 WeakPolarHBondContact CD-O 3.5Å; A587-E592 HydrophobicContact CB-CB 4.34Å; A587-E592 WeakPolarHBondContact CB-OE2 3.48Å; A587-E592 WeakPolarHBondContact O-CB 3.16Å; A587-E592 PolarHBondContact O-N 3.18Å; R590-E592 HydrophobicContact CB-CG 3.95Å; R590-E592 WeakPolarHBondContact CD-OE1 3.39Å; R590-E592 IonicContact NH1-OE1 3.99Å; R590-E592 PolarHBondContact O-N 2.84Å
593	A	91.5	Very high	87.6	Confident	6 Å²	6	44.6 Å²	44.6	5%	0.05	22%	0.223	C	C	.	.	S	Bend	trans	-135.2	134.9	167.9	0	0	0	0	0	109.9	K568 L570 F588 Q591 I595	K568-A593 HydrophobicContact CB-CB 3.92Å; L570-A593 HydrophobicContact CD1-CB 3.84Å; L570-A593 HydrophobicContact CG-CB 3.74Å; F588-A593 WeakPolarHBondContact CD2-O 3.03Å; Q591-A593 PolarHBondContact O-N 2.85Å; A593-I595 VanDerWaalsContact C-N 3.31Å; A593-I595 PolarHBondContact O-N 2.86Å
594	P	92.6	Very high	86.6	Confident	43 Å²	43	44.6 Å²	44.6	28%	0.279	21%	0.213	S	C	.	.	S	Bend	trans	-78.9	-11.8	179.3	31.8	-34.3	0	0	0	113.5	T540 S544 V545	T540-P594 HydrophobicContact CG2-CB 4.13Å; T540-P594 HydrophobicContact CG2-CG 4.12Å; S544-P594 CarbonylContact C-O 3.59Å; S544-P594 WeakPolarHBondContact CA-O 3.48Å; V545-P594 PolarHBondContact N-O 3.44Å
595	I	94.5	Very high	85.1	Confident	2 Å²	2	44 Å²	44	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.4	-175.1	-56.6	154.4	0	0	0	110.2	L536 T540 V545 I547 L567 V569 L570 A593	L536-I595 HydrophobicContact CD1-CD1 4.03Å; L536-I595 HydrophobicContact CD1-CG1 4.11Å; L536-I595 HydrophobicContact CD2-CD1 3.86Å; L536-I595 HydrophobicContact CG-CD1 3.95Å; T540-I595 HydrophobicContact CG2-CD1 3.89Å; T540-I595 HydrophobicContact CG2-CG1 3.6Å; V545-I595 HydrophobicContact CB-CG1 4.39Å; V545-I595 WeakPolarHBondContact O-CA 3.47Å; I547-I595 HydrophobicContact CD1-CG2 3.67Å; I547-I595 HydrophobicContact CG1-CG2 4.23Å; L567-I595 HydrophobicContact CB-CD1 4.24Å; L567-I595 HydrophobicContact CD1-CD1 4.38Å; V569-I595 HydrophobicContact CG1-CG2 4.07Å; V569-I595 HydrophobicContact CG2-CB 4.04Å; V569-I595 HydrophobicContact CG2-CD1 3.94Å; V569-I595 HydrophobicContact CG2-CG2 4.08Å; L570-I595 PolarHBondContact N-O 3.5Å; A593-I595 VanDerWaalsContact C-N 3.31Å; A593-I595 PolarHBondContact O-N 2.86Å
596	L	94.2	Very high	84.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125	170.4	178.2	60	0	0	0	109.6	V545 L546 I547 L570 I572 V584 F588 L606	V545-L596 PolarHBondContact O-N 3.12Å; L546-L596 CarbonylContact C-O 3.57Å; L546-L596 WeakPolarHBondContact CA-O 3.31Å; L546-L596 HydrophobicContact CD1-CB 4.06Å; L546-L596 HydrophobicContact CD1-CD2 3.96Å; L546-L596 HydrophobicContact CD1-CG 3.87Å; I547-L596 PolarHBondContact N-O 3.11Å; L570-L596 HydrophobicContact CB-CD1 3.78Å; I572-L596 HydrophobicContact CB-CD1 4.27Å; I572-L596 HydrophobicContact CG2-CD1 3.88Å; I572-L596 HydrophobicContact CG2-CD2 4.38Å; I572-L596 HydrophobicContact CG2-CG 4.28Å; V584-L596 HydrophobicContact CG1-CD1 3.94Å; F588-L596 HydrophobicContact CD1-CB 4.36Å; F588-L596 HydrophobicContact CD1-CD2 3.89Å; F588-L596 HydrophobicContact CD2-CB 3.68Å; F588-L596 HydrophobicContact CE1-CB 4.22Å; F588-L596 HydrophobicContact CE1-CD2 4.12Å; F588-L596 HydrophobicContact CE2-CB 3.52Å; F588-L596 HydrophobicContact CG-CB 4.09Å; F588-L596 HydrophobicContact CG-CD2 4.09Å; F588-L596 HydrophobicContact CZ-CB 3.79Å; L596-L606 HydrophobicContact CD2-CD1 4.4Å
597	V	95	Very high	83.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	127.6	169.5	-177.9	0	0	0	0	108.3	I547 V549 V558 A559 L562 V569 L570 L571 I572	I547-V597 HydrophobicContact CB-CG2 4.29Å; I547-V597 HydrophobicContact CD1-CG2 4.38Å; I547-V597 WeakPolarHBondContact O-CA 3.47Å; V549-V597 HydrophobicContact CG2-CG1 4.08Å; V558-V597 HydrophobicContact CG1-CG1 4.41Å; V558-V597 HydrophobicContact CG1-CG2 4.25Å; A559-V597 HydrophobicContact CB-CB 4.45Å; A559-V597 HydrophobicContact CB-CG2 4.29Å; L562-V597 HydrophobicContact CD1-CG2 4.25Å; V569-V597 HydrophobicContact CG1-CG2 3.71Å; L570-V597 PolarHBondContact O-N 3.36Å; L571-V597 CarbonylContact C-O 3.58Å; L571-V597 WeakPolarHBondContact CA-O 3.21Å; L571-V597 HydrophobicContact CD1-CB 4.06Å; L571-V597 HydrophobicContact CD1-CG1 4.03Å; I572-V597 PolarHBondContact N-O 3.29Å
598	A	93.3	Very high	82.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	148.2	-174.1	0	0	0	0	0	113.4	L546 I547 F548 V549 I572	L546-A598 HydrophobicContact CD1-CB 3.75Å; I547-A598 PolarHBondContact O-N 2.89Å; F548-A598 HydrophobicContact CE1-CB 4.28Å; V549-A598 PolarHBondContact N-O 3.48Å; V549-A598 VanDerWaalsContact N-O 3.1Å; I572-A598 HydrophobicContact CG2-CB 3.58Å; I572-A598 WeakPolarHBondContact O-CA 3.49Å
599	T	92.1	Very high	81.7	Confident	8 Å²	8	44.9 Å²	44.9	5%	0.049	22%	0.223	C	C	.	.			trans	-93.1	162.9	164.8	68.9	0	0	0	0	112.2	V549 I572 H573 V601 A602 S603	V549-T599 WeakPolarHBondContact O-CA 3.44Å; I572-T599 PolarHBondContact O-N 3.45Å; H573-T599 HydrophobicContact CB-CG2 4.06Å; T599-V601 VanDerWaalsContact C-N 3.27Å; T599-V601 PolarHBondContact O-N 3.35Å; T599-A602 PolarHBondContact O-N 3.47Å; T599-A602 VanDerWaalsContact O-N 3.12Å; T599-S603 WeakPolarHBondContact O-CB 3.45Å; T599-S603 PolarHBondContact O-N 3.26Å; T599-S603 VanDerWaalsContact O-N 3.09Å; T599-S603 PolarHBondContact O-OG 2.88Å
600	D	85.2	Confident	81.4	Confident	18 Å²	18	41.2 Å²	41.2	10%	0.096	21%	0.212	C	C	.	.	H	α-helix	trans	-56.9	-37.2	179.3	-72.5	-49.1	0	0	0	113.8	S603 R604 T625 R629	D600-S603 PolarHBondContact O-OG 2.88Å; D600-R604 WeakPolarHBondContact O-CG 3.32Å; D600-T625 WeakPolarHBondContact OD1-CG2 3.45Å; D600-R629 IonicContact OD1-CZ 2.84Å; D600-R629 IonicContact OD1-NE 3.87Å; D600-R629 PolarHBondContact OD1-NE 2.71Å; D600-R629 IonicContact OD1-NH2 3.81Å; D600-R629 PolarHBondContact OD1-NH2 2.8Å; D600-R629 IonicContact OD2-CZ 3.19Å; D600-R629 IonicContact OD2-NE 2.84Å; D600-R629 IonicContact OD2-NH2 3.73Å; D600-R629 PolarHBondContact OD2-NH2 2.84Å
601	V	75.1	Confident	81.4	Confident	103 Å²	103	33.6 Å²	33.6	62%	0.624	18%	0.183	S	C	*	.	H	α-helix	trans	-67.9	-40.3	178.6	-178.8	0	0	0	0	110.3	T599	T599-V601 VanDerWaalsContact C-N 3.27Å; T599-V601 PolarHBondContact O-N 3.35Å
602	A	71	Confident	81.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-76.9	-23.2	-176.2	0	0	0	0	0	114.1	I572 R581 T599	I572-A602 HydrophobicContact CB-CB 4.32Å; I572-A602 HydrophobicContact CD1-CB 4.32Å; I572-A602 HydrophobicContact CG1-CB 3.96Å; I572-A602 HydrophobicContact CG2-CB 3.97Å; I572-A602 WeakPolarHBondContact O-CB 3.47Å; R581-A602 PolarHBondContact NH2-O 2.85Å; T599-A602 PolarHBondContact O-N 3.47Å; T599-A602 VanDerWaalsContact O-N 3.12Å
603	S	69.1	Low	81.9	Confident	6 Å²	6	25.4 Å²	25.4	4%	0.042	15%	0.145	C	C	.	.	H	α-helix	trans	-94.5	-18.4	-172	74	0	0	0	0	115.8	F548 T599 D600 G605 L606	F548-S603 WeakPolarHBondContact CE1-OG 3.31Å; T599-S603 WeakPolarHBondContact O-CB 3.45Å; T599-S603 PolarHBondContact O-N 3.26Å; T599-S603 VanDerWaalsContact O-N 3.09Å; T599-S603 PolarHBondContact O-OG 2.88Å; D600-S603 PolarHBondContact O-OG 2.88Å; S603-G605 PolarHBondContact O-N 3.05Å; S603-L606 WeakPolarHBondContact O-CB 3.48Å; S603-L606 WeakPolarHBondContact O-CG 3.28Å; S603-L606 PolarHBondContact O-N 2.9Å
604	R	67	Low	82	Confident	90 Å²	90	25.1 Å²	25.1	34%	0.34	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	127	176.8	-78.1	171.9	176.5	-153.9	-2.8	109.1	D600 L606	D600-R604 WeakPolarHBondContact O-CG 3.32Å; R604-L606 VanDerWaalsContact C-N 3.31Å; R604-L606 PolarHBondContact O-N 2.72Å
605	G	59.5	Low	82.1	Confident	9 Å²	9	23 Å²	23	9%	0.093	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	0.6	-176.7	0	0	0	0	0	115.6	S603 D607	S603-G605 PolarHBondContact O-N 3.05Å; G605-D607 PolarHBondContact O-N 3.38Å; G605-D607 VanDerWaalsContact O-N 3.14Å
606	L	68.9	Low	82.2	Confident	6 Å²	6	23 Å²	23	3%	0.031	13%	0.129	C	C	.	.			trans	-65.4	116.3	169.7	-69.9	-175.8	0	0	0	110.3	I585 L596 S603 R604 I608 R632 R635	I585-L606 HydrophobicContact CD1-CD2 3.49Å; I585-L606 VanDerWaalsContact CD1-CD2 3.49Å; I585-L606 HydrophobicContact CG1-CD2 3.71Å; I585-L606 HydrophobicContact CG2-CD2 4.39Å; L596-L606 HydrophobicContact CD2-CD1 4.4Å; S603-L606 WeakPolarHBondContact O-CB 3.48Å; S603-L606 WeakPolarHBondContact O-CG 3.28Å; S603-L606 PolarHBondContact O-N 2.9Å; R604-L606 VanDerWaalsContact C-N 3.31Å; R604-L606 PolarHBondContact O-N 2.72Å; L606-I608 HydrophobicContact CB-CD1 4.15Å; L606-I608 HydrophobicContact CD1-CD1 4.22Å; L606-I608 HydrophobicContact CD2-CD1 4.26Å; L606-I608 HydrophobicContact CG-CD1 4.45Å; L606-R632 PolarHBondContact O-NH1 2.71Å; L606-R635 PolarHBondContact O-NH1 3.31Å; L606-R635 PolarHBondContact O-NH2 3.02Å
607	D	69	Low	82.2	Confident	38 Å²	38	23.5 Å²	23.5	20%	0.203	13%	0.131	C	C	.	.			trans	-115.4	108.3	164	-171	25.5	0	0	0	110.8	Q385 K589 G605 R635	Q385-D607 PolarHBondContact NE2-OD2 2.84Å; K589-D607 WeakPolarHBondContact CE-O 3.45Å; K589-D607 PolarHBondContact NZ-O 3.44Å; G605-D607 PolarHBondContact O-N 3.38Å; G605-D607 VanDerWaalsContact O-N 3.14Å; D607-R635 VanDerWaalsContact CA-NH1 3.34Å; D607-R635 WeakPolarHBondContact OD1-CD 3.47Å; D607-R635 IonicContact OD1-CZ 3.79Å; D607-R635 IonicContact OD1-NE 3.33Å; D607-R635 IonicContact OD1-NH1 2.77Å; D607-R635 PolarHBondContact OD1-NH1 3.16Å
608	I	76.4	Confident	82.1	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.135	C	C	.	.			trans	-139.1	97.6	-176.4	-60.9	149.4	0	0	0	106.2	F588 K589 L606 S610 I611	F588-I608 HydrophobicContact CD1-CD1 3.8Å; F588-I608 HydrophobicContact CD1-CG1 4.46Å; F588-I608 HydrophobicContact CD1-CG2 3.91Å; F588-I608 HydrophobicContact CE1-CD1 4.04Å; F588-I608 HydrophobicContact CE1-CG2 3.84Å; K589-I608 HydrophobicContact CD-CG1 4.45Å; K589-I608 HydrophobicContact CG-CG1 4.01Å; K589-I608 HydrophobicContact CG-CG2 4.15Å; L606-I608 HydrophobicContact CB-CD1 4.15Å; L606-I608 HydrophobicContact CD1-CD1 4.22Å; L606-I608 HydrophobicContact CD2-CD1 4.26Å; L606-I608 HydrophobicContact CG-CD1 4.45Å; I608-S610 VanDerWaalsContact CG2-OG 3.27Å; I608-S610 WeakPolarHBondContact CG2-OG 3.42Å; I608-S610 PolarHBondContact O-N 3.35Å; I608-S610 VanDerWaalsContact O-N 3.08Å; I608-I611 HydrophobicContact CB-CD1 3.83Å; I608-I611 HydrophobicContact CB-CG1 4.05Å; I608-I611 HydrophobicContact CD1-CD1 4.05Å; I608-I611 HydrophobicContact CG2-CD1 4.27Å; I608-I611 HydrophobicContact CG2-CG1 3.96Å; I608-I611 PolarHBondContact O-N 2.98Å
609	P	70.8	Confident	82.1	Confident	104 Å²	104	25.1 Å²	25.1	68%	0.675	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-15.7	-177.1	-27.2	36.2	0	0	0	115.3	I611	P609-I611 VanDerWaalsContact C-N 3.32Å; P609-I611 PolarHBondContact O-N 3.4Å
610	S	80.9	Confident	82	Confident	34 Å²	34	25 Å²	25	24%	0.238	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-6.2	179.8	62.9	0	0	0	0	114.8	S544 I608 H612	S544-S610 WeakPolarHBondContact CB-O 3.36Å; S544-S610 PolarHBondContact N-O 3.4Å; S544-S610 PolarHBondContact OG-O 2.67Å; I608-S610 VanDerWaalsContact CG2-OG 3.27Å; I608-S610 WeakPolarHBondContact CG2-OG 3.42Å; I608-S610 PolarHBondContact O-N 3.35Å; I608-S610 VanDerWaalsContact O-N 3.08Å; S610-H612 PolarHBondContact O-N 3.22Å; S610-H612 VanDerWaalsContact O-N 3.14Å
611	I	88.3	Confident	82.1	Confident	7 Å²	7	33.7 Å²	33.7	4%	0.036	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	105	176.9	-59.4	170	0	0	0	109.2	L546 F588 I608 P609 V614 R632 T633	L546-I611 HydrophobicContact CB-CD1 4.24Å; L546-I611 HydrophobicContact CB-CG2 4Å; L546-I611 HydrophobicContact CD2-CD1 3.9Å; F588-I611 HydrophobicContact CE1-CD1 4.13Å; F588-I611 HydrophobicContact CE1-CG1 3.75Å; F588-I611 HydrophobicContact CZ-CG1 4.16Å; I608-I611 HydrophobicContact CB-CD1 3.83Å; I608-I611 HydrophobicContact CB-CG1 4.05Å; I608-I611 HydrophobicContact CD1-CD1 4.05Å; I608-I611 HydrophobicContact CG2-CD1 4.27Å; I608-I611 HydrophobicContact CG2-CG1 3.96Å; I608-I611 PolarHBondContact O-N 2.98Å; P609-I611 VanDerWaalsContact C-N 3.32Å; P609-I611 PolarHBondContact O-N 3.4Å; I611-V614 HydrophobicContact CG2-CG2 3.87Å; I611-R632 HydrophobicContact CD1-CB 4.32Å; I611-T633 WeakPolarHBondContact O-CB 3.25Å; I611-T633 PolarHBondContact O-OG1 2.87Å
612	H	90.8	Very high	82.6	Confident	58 Å²	58	32.2 Å²	32.2	27%	0.269	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-37.1	171	-170.9	66.5	0	0	0	111.7	S544 S610 T633 K639 G640 T641	S544-H612 PolarHBondContact O-N 2.9Å; S544-H612 VanDerWaalsContact O-N 3.14Å; S610-H612 PolarHBondContact O-N 3.22Å; S610-H612 VanDerWaalsContact O-N 3.14Å; H612-T633 PolarHBondContact O-OG1 2.99Å; H612-K639 PolarHBondContact CE1-O 3.18Å; H612-K639 PolarHBondContact ND1-O 2.91Å; H612-G640 WeakPolarHBondContact O-CA 3.41Å; H612-T641 PolarHBondContact O-N 3.29Å
613	N	93.8	Very high	83.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.2	-171.3	-85	-48	0	0	0	111.3	L539 E542 S544 V545 L546 T641	L539-N613 WeakPolarHBondContact CA-ND2 3.23Å; L539-N613 HydrophobicContact CB-CB 4.45Å; L539-N613 PolarHBondContact O-ND2 3.4Å; E542-N613 PolarHBondContact OE2-ND2 3.23Å; S544-N613 PolarHBondContact O-N 2.86Å; S544-N613 VanDerWaalsContact O-N 3.15Å; V545-N613 CarbonylContact C-O 3.59Å; V545-N613 WeakPolarHBondContact CA-O 3.18Å; V545-N613 HydrophobicContact CB-CB 4.49Å; V545-N613 HydrophobicContact CG1-CB 4.45Å; V545-N613 HydrophobicContact CG2-CB 4.06Å; L546-N613 PolarHBondContact N-O 3.39Å; N613-T641 WeakPolarHBondContact CA-O 3.34Å; N613-T641 WeakPolarHBondContact OD1-CB 3.38Å
614	V	94	Very high	83.9	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.3	171.4	177.1	0	0	0	0	109.1	L546 F548 I611 R632 T633 T641 A642 Y643	L546-V614 CarbonylContact O-C 3.58Å; L546-V614 WeakPolarHBondContact O-CA 3.39Å; F548-V614 HydrophobicContact CD2-CG1 3.77Å; F548-V614 HydrophobicContact CE2-CG1 3.93Å; I611-V614 HydrophobicContact CG2-CG2 3.87Å; V614-R632 HydrophobicContact CG2-CB 4.06Å; V614-T633 HydrophobicContact CB-CG2 4.44Å; V614-T633 HydrophobicContact CG2-CG2 3.78Å; V614-T641 PolarHBondContact N-O 3.31Å; V614-A642 CarbonylContact O-C 3.59Å; V614-A642 WeakPolarHBondContact O-CA 3.5Å; V614-Y643 PolarHBondContact O-N 3.42Å
615	I	96	Very high	84.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	107.7	178.4	-50.2	178.8	0	0	0	109.5	W531 L532 L539 V545 L546 I547 F548 Y617 Y643 L645	W531-I615 HydrophobicContact CZ3-CD1 4.45Å; W531-I615 HydrophobicContact CZ3-CG2 4.11Å; L532-I615 HydrophobicContact CD1-CD1 3.68Å; L532-I615 HydrophobicContact CD1-CG2 4.37Å; L539-I615 HydrophobicContact CD1-CD1 3.53Å; L539-I615 HydrophobicContact CD1-CG1 4.23Å; V545-I615 HydrophobicContact CG1-CD1 3.57Å; V545-I615 HydrophobicContact CG1-CG1 3.97Å; L546-I615 PolarHBondContact O-N 3.4Å; I547-I615 CarbonylContact C-O 3.27Å; I547-I615 WeakPolarHBondContact CA-O 3.22Å; I547-I615 HydrophobicContact CG1-CB 4.42Å; I547-I615 HydrophobicContact CG1-CD1 4.3Å; F548-I615 PolarHBondContact N-O 3.43Å; I615-Y617 PolarHBondContact O-N 3.32Å; I615-Y617 VanDerWaalsContact O-N 3.08Å; I615-Y643 CarbonylContact C-O 3.21Å; I615-Y643 WeakPolarHBondContact CA-O 3.37Å; I615-L645 HydrophobicContact CG2-CD1 4.32Å; I615-L645 HydrophobicContact CG2-CG 4.37Å
616	N	95.5	Very high	86	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	88.5	165.6	-61.4	-50.6	0	0	0	108.9	E618 R629 Y643 T644 L645	N616-E618 VanDerWaalsContact C-N 3.32Å; N616-R629 WeakPolarHBondContact OD1-CD 3.31Å; N616-R629 PolarHBondContact OD1-NH1 2.83Å; N616-Y643 PolarHBondContact N-O 3.47Å; N616-T644 HydrophobicContact CB-CG2 4.03Å; N616-T644 PolarHBondContact ND2-OG1 3.3Å; N616-L645 PolarHBondContact O-N 3.43Å
617	Y	95.4	Very high	86.7	Confident	12 Å²	12	33.9 Å²	33.9	5%	0.047	17%	0.174	C	C	.	.	S	Bend	trans	-68	-36.5	178.3	-174.4	-103.7	0	0	0	111.4	K528 L532 F548 V549 H554 V558 I615 L645	K528-Y617 HydrophobicContact CB-CE2 3.85Å; K528-Y617 WeakPolarHBondContact CE-O 3.12Å; K528-Y617 PolarHBondContact NZ-O 3.04Å; L532-Y617 HydrophobicContact CB-CD2 4.47Å; L532-Y617 HydrophobicContact CB-CE2 4.25Å; L532-Y617 HydrophobicContact CD2-CD2 3.91Å; L532-Y617 HydrophobicContact CD2-CE2 3.87Å; F548-Y617 WeakPolarHBondContact O-CB 3.2Å; F548-Y617 PolarHBondContact O-N 3.02Å; F548-Y617 VanDerWaalsContact O-N 3.09Å; V549-Y617 HydrophobicContact CG2-CD1 4.36Å; H554-Y617 AromaticContact CE1-CE1 3.69Å; H554-Y617 AromaticContact NE2-CE1 3.65Å; V558-Y617 HydrophobicContact CG2-CD1 4.18Å; V558-Y617 HydrophobicContact CG2-CE1 3.83Å; I615-Y617 PolarHBondContact O-N 3.32Å; I615-Y617 VanDerWaalsContact O-N 3.08Å; Y617-L645 HydrophobicContact CD2-CD1 3.77Å; Y617-L645 HydrophobicContact CE2-CD1 4.35Å
618	E	93	Very high	87.3	Confident	20 Å²	20	34.4 Å²	34.4	9%	0.093	18%	0.175	C	C	.	.	S	Bend	trans	-112.4	145.2	162.4	-65.2	-175	142.5	0	0	109.6	F548 V549 T550 H554 N616 R629	F548-E618 PolarHBondContact O-N 3.22Å; V549-E618 HydrophobicContact CG1-CG 4.47Å; V549-E618 WeakPolarHBondContact CG1-OE2 3.43Å; T550-E618 WeakPolarHBondContact CB-OE2 3.44Å; T550-E618 HydrophobicContact CG2-CB 3.93Å; T550-E618 PolarHBondContact N-OE2 3.43Å; T550-E618 PolarHBondContact OG1-OE2 3.37Å; H554-E618 IonicContact CE1-OE1 3.57Å; H554-E618 PolarHBondContact CE1-OE1 3.04Å; H554-E618 IonicContact ND1-OE1 3.32Å; H554-E618 PolarHBondContact ND1-OE1 2.84Å; H554-E618 IonicContact ND1-OE2 3.39Å; N616-E618 VanDerWaalsContact C-N 3.32Å; E618-R629 PolarHBondContact O-NH1 3.33Å
619	V	92.6	Very high	87.8	Confident	13 Å²	13	34.5 Å²	34.5	8%	0.079	18%	0.175	C	C	.	.			trans	-59	158.6	173.7	-66.8	0	0	0	0	111.2	T550 T644 F646 D651 F655	T550-V619 VanDerWaalsContact CG2-O 3.29Å; T550-V619 WeakPolarHBondContact CG2-O 3.48Å; V619-T644 HydrophobicContact CG1-CG2 4.44Å; V619-F646 HydrophobicContact CG1-CD2 3.82Å; V619-F646 HydrophobicContact CG1-CE2 4.43Å; V619-D651 HydrophobicContact CG1-CB 4.15Å; V619-D651 HydrophobicContact CG2-CB 3.88Å; V619-F655 HydrophobicContact CB-CD1 4.08Å; V619-F655 HydrophobicContact CB-CE1 3.79Å; V619-F655 HydrophobicContact CB-CZ 4.33Å; V619-F655 HydrophobicContact CG1-CD1 4.16Å; V619-F655 HydrophobicContact CG1-CE1 3.87Å
620	A	90.3	Very high	88.6	Confident	5 Å²	5	29.6 Å²	29.6	4%	0.041	14%	0.144	C	C	.	.			trans	-76.7	166	172.9	0	0	0	0	0	110.4	D622 T625 H626 F655	A620-D622 VanDerWaalsContact C-N 3.35Å; A620-D622 WeakPolarHBondContact CB-O 3.45Å; A620-T625 HydrophobicContact CB-CG2 4.12Å; A620-H626 HydrophobicContact CB-CB 3.84Å; A620-F655 HydrophobicContact CB-CE2 4.12Å; A620-F655 HydrophobicContact CB-CZ 4.28Å
621	R	87.3	Confident	88.7	Confident	202 Å²	202	28.2 Å²	28.2	76%	0.762	13%	0.134	S	C	*	.	S	Bend	trans	-70.6	-35	175.7	-59.4	-177.4	-174	-169.5	0.2	112
622	D	85.8	Confident	88.5	Confident	71 Å²	71	28.5 Å²	28.5	38%	0.38	14%	0.135	S	C	.	.	S	Bend	trans	-145	165.8	-177.5	52.5	38.8	0	0	0	110.3	A620 D624 T625 H626	A620-D622 VanDerWaalsContact C-N 3.35Å; A620-D622 WeakPolarHBondContact CB-O 3.45Å; D622-D624 VanDerWaalsContact C-N 3.31Å; D622-D624 PolarHBondContact O-N 3.46Å; D622-T625 PolarHBondContact O-N 2.97Å; D622-T625 WeakPolarHBondContact OD1-CA 3.25Å; D622-T625 WeakPolarHBondContact OD1-CB 3.47Å; D622-T625 PolarHBondContact OD1-N 2.95Å; D622-T625 PolarHBondContact OD1-OG1 3.3Å; D622-H626 PolarHBondContact O-N 3.06Å; D622-H626 VanDerWaalsContact O-N 3.09Å
623	I	85.7	Confident	88.3	Confident	40 Å²	40	25.9 Å²	25.9	21%	0.205	12%	0.123	C	C	.	.	H	α-helix	trans	-70.7	-27	-178.6	-164.2	63.3	0	0	0	112.5	H626 T627 C658 L659 H662	I623-H626 HydrophobicContact CD1-CB 4.22Å; I623-H626 WeakPolarHBondContact O-CB 3.46Å; I623-H626 PolarHBondContact O-N 3Å; I623-T627 WeakPolarHBondContact O-CB 3.42Å; I623-T627 PolarHBondContact O-N 3.3Å; I623-T627 PolarHBondContact O-OG1 3.39Å; I623-C658 HydrophobicContact CB-CB 4.11Å; I623-C658 HydrophobicContact CG1-CB 4.37Å; I623-C658 HydrophobicContact CG2-CB 4.46Å; I623-L659 HydrophobicContact CD1-CB 4.44Å; I623-L659 HydrophobicContact CD1-CD1 4.17Å; I623-H662 HydrophobicContact CD1-CB 3.78Å; I623-H662 HydrophobicContact CG1-CB 4.02Å
624	D	80.4	Confident	87.6	Confident	47 Å²	47	26 Å²	26	25%	0.251	12%	0.124	S	C	.	.	H	α-helix	trans	-64.3	-48.4	174.4	-72.2	-33.4	0	0	0	110.5	K486 D622 H626 T627 H628	K486-D624 IonicContact NZ-OD1 2.89Å; K486-D624 PolarHBondContact NZ-OD1 2.65Å; K486-D624 IonicContact NZ-OD2 3.95Å; K486-D624 PolarHBondContact NZ-OD2 2.84Å; D622-D624 VanDerWaalsContact C-N 3.31Å; D622-D624 PolarHBondContact O-N 3.46Å; D624-H626 VanDerWaalsContact C-N 3.34Å; D624-H626 PolarHBondContact O-N 2.89Å; D624-T627 WeakPolarHBondContact O-CB 3.39Å; D624-T627 PolarHBondContact O-N 2.98Å; D624-H628 PolarHBondContact O-N 2.92Å; D624-H628 PolarHBondContact O-ND1 3.2Å
625	T	84.2	Confident	86.6	Confident	12 Å²	12	27.9 Å²	27.9	7%	0.074	13%	0.131	C	C	.	.	H	α-helix	trans	-64.7	-39.1	176	-59.9	0	0	0	0	110.7	D600 A620 D622 T627 H628 R629	D600-T625 WeakPolarHBondContact OD1-CG2 3.45Å; A620-T625 HydrophobicContact CB-CG2 4.12Å; D622-T625 PolarHBondContact O-N 2.97Å; D622-T625 WeakPolarHBondContact OD1-CA 3.25Å; D622-T625 WeakPolarHBondContact OD1-CB 3.47Å; D622-T625 PolarHBondContact OD1-N 2.95Å; D622-T625 PolarHBondContact OD1-OG1 3.3Å; T625-T627 PolarHBondContact O-N 3.34Å; T625-H628 PolarHBondContact O-N 2.77Å; T625-R629 HydrophobicContact CG2-CG 4.48Å; T625-R629 WeakPolarHBondContact O-CG 3.45Å; T625-R629 PolarHBondContact O-N 3.43Å
626	H	87.6	Confident	85.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.7	-50.4	172.4	-178.4	89.3	0	0	0	111.7	A620 D622 I623 D624 H628 R629 I630 T644 F655 L659	A620-H626 HydrophobicContact CB-CB 3.84Å; D622-H626 PolarHBondContact O-N 3.06Å; D622-H626 VanDerWaalsContact O-N 3.09Å; I623-H626 HydrophobicContact CD1-CB 4.22Å; I623-H626 WeakPolarHBondContact O-CB 3.46Å; I623-H626 PolarHBondContact O-N 3Å; D624-H626 VanDerWaalsContact C-N 3.34Å; D624-H626 PolarHBondContact O-N 2.89Å; H626-H628 VanDerWaalsContact C-N 3.3Å; H626-H628 PolarHBondContact O-N 2.99Å; H626-R629 WeakPolarHBondContact O-CB 3.43Å; H626-R629 PolarHBondContact O-N 3.22Å; H626-R629 VanDerWaalsContact O-N 3.08Å; H626-I630 PolarHBondContact O-N 3.03Å; H626-T644 PolarHBondContact CE1-OG1 3.46Å; H626-T644 VanDerWaalsContact CE1-OG1 3.28Å; H626-F655 HydrophobicContact CB-CE2 4.21Å; H626-F655 HydrophobicContact CB-CZ 4.03Å; H626-F655 AromaticContact ND1-CZ 3.8Å; H626-L659 WeakPolarHBondContact NE2-CD1 3.47Å
627	T	83.5	Confident	83.9	Confident	48 Å²	48	35.1 Å²	35.1	29%	0.294	20%	0.197	S	C	.	.	H	α-helix	trans	-57.3	-42.8	177.3	-53.5	0	0	0	0	111.3	I623 D624 T625 R629 I630 G631 H662	I623-T627 WeakPolarHBondContact O-CB 3.42Å; I623-T627 PolarHBondContact O-N 3.3Å; I623-T627 PolarHBondContact O-OG1 3.39Å; D624-T627 WeakPolarHBondContact O-CB 3.39Å; D624-T627 PolarHBondContact O-N 2.98Å; T625-T627 PolarHBondContact O-N 3.34Å; T627-R629 PolarHBondContact O-N 3.07Å; T627-I630 WeakPolarHBondContact O-CG1 3.49Å; T627-G631 PolarHBondContact O-N 3.47Å; T627-H662 PolarHBondContact OG1-CE1 3.37Å
628	H	80.5	Confident	83.1	Confident	49 Å²	49	37.2 Å²	37.2	23%	0.227	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-30.2	176.4	-70.4	112.7	0	0	0	114.6	D624 T625 H626 R632	D624-H628 PolarHBondContact O-N 2.92Å; D624-H628 PolarHBondContact O-ND1 3.2Å; T625-H628 PolarHBondContact O-N 2.77Å; H626-H628 VanDerWaalsContact C-N 3.3Å; H626-H628 PolarHBondContact O-N 2.99Å; H628-R632 PolarHBondContact O-NE 3.17Å; H628-R632 PolarHBondContact O-NH2 3.23Å; H628-R632 VanDerWaalsContact O-NH2 3.14Å
629	R	87.6	Confident	82.8	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-72.5	-52	175.3	-73.7	-176.4	-174.7	-178.2	1.8	111	F548 D600 N616 E618 T625 H626 T627 G631 R632	F548-R629 HydrophobicContact CD1-CG 4.02Å; F548-R629 HydrophobicContact CD2-CB 3.69Å; F548-R629 HydrophobicContact CD2-CG 3.73Å; F548-R629 HydrophobicContact CE1-CG 4.03Å; F548-R629 HydrophobicContact CE2-CB 3.57Å; F548-R629 HydrophobicContact CE2-CG 3.72Å; F548-R629 HydrophobicContact CG-CB 4.34Å; F548-R629 HydrophobicContact CG-CG 3.88Å; F548-R629 HydrophobicContact CZ-CB 4.15Å; F548-R629 HydrophobicContact CZ-CG 3.87Å; D600-R629 IonicContact OD1-CZ 2.84Å; D600-R629 IonicContact OD1-NE 3.87Å; D600-R629 PolarHBondContact OD1-NE 2.71Å; D600-R629 IonicContact OD1-NH2 3.81Å; D600-R629 PolarHBondContact OD1-NH2 2.8Å; D600-R629 IonicContact OD2-CZ 3.19Å; D600-R629 IonicContact OD2-NE 2.84Å; D600-R629 IonicContact OD2-NH2 3.73Å; D600-R629 PolarHBondContact OD2-NH2 2.84Å; N616-R629 WeakPolarHBondContact OD1-CD 3.31Å; N616-R629 PolarHBondContact OD1-NH1 2.83Å; E618-R629 PolarHBondContact O-NH1 3.33Å; T625-R629 HydrophobicContact CG2-CG 4.48Å; T625-R629 WeakPolarHBondContact O-CG 3.45Å; T625-R629 PolarHBondContact O-N 3.43Å; H626-R629 WeakPolarHBondContact O-CB 3.43Å; H626-R629 PolarHBondContact O-N 3.22Å; H626-R629 VanDerWaalsContact O-N 3.08Å; T627-R629 PolarHBondContact O-N 3.07Å; R629-G631 VanDerWaalsContact C-N 3.27Å; R629-G631 PolarHBondContact O-N 3.46Å; R629-R632 WeakPolarHBondContact O-CB 3.24Å; R629-R632 VanDerWaalsContact O-CG 3.28Å; R629-R632 WeakPolarHBondContact O-CG 3.45Å; R629-R632 PolarHBondContact O-N 3.33Å
630	I	88.3	Confident	82.6	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-38	179.1	67.8	177.1	0	0	0	110.6	I515 Q517 H626 T627 R632 T633 A642	I515-I630 HydrophobicContact CD1-CB 4.46Å; I515-I630 HydrophobicContact CD1-CG1 4.27Å; I515-I630 WeakPolarHBondContact CD1-O 3.41Å; I515-I630 HydrophobicContact CG2-CB 4.47Å; Q517-I630 HydrophobicContact CG-CD1 4.36Å; H626-I630 PolarHBondContact O-N 3.03Å; T627-I630 WeakPolarHBondContact O-CG1 3.49Å; I630-R632 PolarHBondContact O-N 3.33Å; I630-T633 WeakPolarHBondContact O-CG2 3.17Å; I630-T633 PolarHBondContact O-N 3.47Å; I630-A642 HydrophobicContact CB-CB 3.83Å; I630-A642 HydrophobicContact CG2-CB 3.63Å
631	G	81.7	Confident	82.7	Confident	4 Å²	4	44 Å²	44	4%	0.041	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	7.7	172.2	0	0	0	0	0	116	T627 R629 T633 R635	T627-G631 PolarHBondContact O-N 3.47Å; R629-G631 VanDerWaalsContact C-N 3.27Å; R629-G631 PolarHBondContact O-N 3.46Å; G631-T633 VanDerWaalsContact C-N 3.32Å; G631-T633 CarbonylContact C-O 3.55Å; G631-R635 VanDerWaalsContact O-CZ 3.31Å; G631-R635 PolarHBondContact O-NE 2.95Å; G631-R635 PolarHBondContact O-NH2 3.24Å
632	R	84.8	Confident	83	Confident	13 Å²	13	34.4 Å²	34.4	5%	0.049	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-20.6	162.4	-61.3	-55.3	114.6	-175.1	2.5	112.5	L546 F548 L606 I611 V614 H628 R629 I630 R635	L546-R632 HydrophobicContact CD2-CB 3.72Å; L546-R632 HydrophobicContact CD2-CG 3.68Å; F548-R632 HydrophobicContact CE2-CG 4.08Å; F548-R632 HydrophobicContact CZ-CG 4Å; L606-R632 PolarHBondContact O-NH1 2.71Å; I611-R632 HydrophobicContact CD1-CB 4.32Å; V614-R632 HydrophobicContact CG2-CB 4.06Å; H628-R632 PolarHBondContact O-NE 3.17Å; H628-R632 PolarHBondContact O-NH2 3.23Å; H628-R632 VanDerWaalsContact O-NH2 3.14Å; R629-R632 WeakPolarHBondContact O-CB 3.24Å; R629-R632 VanDerWaalsContact O-CG 3.28Å; R629-R632 WeakPolarHBondContact O-CG 3.45Å; R629-R632 PolarHBondContact O-N 3.33Å; I630-R632 PolarHBondContact O-N 3.33Å; R632-R635 VanDerWaalsContact CZ-NH2 3.28Å; R632-R635 VanDerWaalsContact NH1-NH2 3.11Å; R632-R635 PolarHBondContact O-NE 2.97Å
633	T	86.7	Confident	83.5	Confident	3 Å²	3	31.9 Å²	31.9	2%	0.018	20%	0.195	C	C	.	.	S	Bend	trans	-109.5	-177.2	166.6	-165.1	0	0	0	0	111.4	I515 I611 H612 V614 I630 G631 G640	I515-T633 HydrophobicContact CG1-CG2 4.44Å; I515-T633 HydrophobicContact CG2-CG2 4.21Å; I611-T633 WeakPolarHBondContact O-CB 3.25Å; I611-T633 PolarHBondContact O-OG1 2.87Å; H612-T633 PolarHBondContact O-OG1 2.99Å; V614-T633 HydrophobicContact CB-CG2 4.44Å; V614-T633 HydrophobicContact CG2-CG2 3.78Å; I630-T633 WeakPolarHBondContact O-CG2 3.17Å; I630-T633 PolarHBondContact O-N 3.47Å; G631-T633 VanDerWaalsContact C-N 3.32Å; G631-T633 CarbonylContact C-O 3.55Å; T633-G640 WeakPolarHBondContact OG1-CA 3.44Å
634	G	79.1	Confident	84	Confident	3 Å²	3	30 Å²	30	3%	0.031	19%	0.186	C	C	.	.	S	Bend	trans	73.2	31.6	179.6	0	0	0	0	0	114.6	N512 A638	N512-G634 PolarHBondContact ND2-O 2.84Å; G634-A638 CarbonylContact C-O 3.52Å; G634-A638 VanDerWaalsContact C-O 3.27Å; G634-A638 WeakPolarHBondContact CA-O 3.25Å
635	R	73.3	Confident	84.7	Confident	39 Å²	39	27.8 Å²	27.8	15%	0.147	17%	0.174	C	C	.	.			trans	-99.2	142.8	-168.4	-64.7	-173.9	174.2	-146.2	-3.6	112.6	L606 D607 G631 R632 G637 A638	L606-R635 PolarHBondContact O-NH1 3.31Å; L606-R635 PolarHBondContact O-NH2 3.02Å; D607-R635 VanDerWaalsContact CA-NH1 3.34Å; D607-R635 WeakPolarHBondContact OD1-CD 3.47Å; D607-R635 IonicContact OD1-CZ 3.79Å; D607-R635 IonicContact OD1-NE 3.33Å; D607-R635 IonicContact OD1-NH1 2.77Å; D607-R635 PolarHBondContact OD1-NH1 3.16Å; G631-R635 VanDerWaalsContact O-CZ 3.31Å; G631-R635 PolarHBondContact O-NE 2.95Å; G631-R635 PolarHBondContact O-NH2 3.24Å; R632-R635 VanDerWaalsContact CZ-NH2 3.28Å; R632-R635 VanDerWaalsContact NH1-NH2 3.11Å; R632-R635 PolarHBondContact O-NE 2.97Å; R635-G637 PolarHBondContact O-N 2.9Å; R635-A638 PolarHBondContact N-O 2.83Å; R635-A638 VanDerWaalsContact O-CB 3.3Å; R635-A638 WeakPolarHBondContact O-CB 3.45Å; R635-A638 PolarHBondContact O-N 3.4Å
636	A	65.4	Low	85.2	Confident	97 Å²	97	27.3 Å²	27.3	80%	0.802	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	36	175.3	0	0	0	0	0	114.6	A638	A636-A638 VanDerWaalsContact C-N 3.27Å; A636-A638 PolarHBondContact O-N 3.01Å
637	G	67.9	Low	85.5	Confident	56 Å²	56	27.5 Å²	27.5	58%	0.577	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	-2.8	-178.1	0	0	0	0	0	115.1	R635	R635-G637 PolarHBondContact O-N 2.9Å
638	A	79.3	Confident	85.8	Confident	55 Å²	55	26.5 Å²	26.5	46%	0.455	17%	0.169	S	C	.	.			trans	-72.3	130.2	167	0	0	0	0	0	109.6	G634 R635 A636	G634-A638 CarbonylContact C-O 3.52Å; G634-A638 VanDerWaalsContact C-O 3.27Å; G634-A638 WeakPolarHBondContact CA-O 3.25Å; R635-A638 PolarHBondContact N-O 2.83Å; R635-A638 VanDerWaalsContact O-CB 3.3Å; R635-A638 WeakPolarHBondContact O-CB 3.45Å; R635-A638 PolarHBondContact O-N 3.4Å; A636-A638 VanDerWaalsContact C-N 3.27Å; A636-A638 PolarHBondContact O-N 3.01Å
639	K	85.8	Confident	86	Confident	159 Å²	159	28.6 Å²	28.6	69%	0.691	20%	0.203	S	C	*	.			trans	-69.9	144.5	174.5	-64.6	-170.4	177.4	-170.7	0	110.9	D514 H612	D514-K639 WeakPolarHBondContact O-CA 3.43Å; H612-K639 PolarHBondContact CE1-O 3.18Å; H612-K639 PolarHBondContact ND1-O 2.91Å
640	G	88.8	Confident	86	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	159.6	177.8	0	0	0	0	0	112.5	D514 I515 T516 H612 T633	D514-G640 PolarHBondContact O-N 3.45Å; I515-G640 CarbonylContact C-O 3.57Å; I515-G640 WeakPolarHBondContact CA-O 3.3Å; T516-G640 PolarHBondContact N-O 2.82Å; H612-G640 WeakPolarHBondContact O-CA 3.41Å; T633-G640 WeakPolarHBondContact OG1-CA 3.44Å
641	T	92.9	Very high	86.1	Confident	20 Å²	20	34.5 Å²	34.5	12%	0.123	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.1	174.9	-49	0	0	0	0	110.3	T516 H612 N613 V614 Y643	T516-T641 WeakPolarHBondContact O-CA 3.48Å; H612-T641 PolarHBondContact O-N 3.29Å; N613-T641 WeakPolarHBondContact CA-O 3.34Å; N613-T641 WeakPolarHBondContact OD1-CB 3.38Å; V614-T641 PolarHBondContact N-O 3.31Å; T641-Y643 HydrophobicContact CG2-CD2 4.12Å; T641-Y643 HydrophobicContact CG2-CE2 3.43Å; T641-Y643 VanDerWaalsContact CG2-CE2 3.43Å
642	A	94	Very high	86.5	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.9	179.3	0	0	0	0	0	110.8	I515 T516 H518 V614 I630	I515-A642 HydrophobicContact CG2-CB 3.7Å; T516-A642 PolarHBondContact O-N 3.32Å; H518-A642 PolarHBondContact N-O 3.19Å; V614-A642 CarbonylContact O-C 3.59Å; V614-A642 WeakPolarHBondContact O-CA 3.5Å; I630-A642 HydrophobicContact CB-CB 3.83Å; I630-A642 HydrophobicContact CG2-CB 3.63Å
643	Y	95.7	Very high	86.7	Confident	18 Å²	18	39.5 Å²	39.5	7%	0.071	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.9	174.7	-69.2	-81.1	0	0	0	110.3	H518 W531 R538 L539 V614 I615 N616 T641	H518-Y643 HydrophobicContact CB-CD1 3.56Å; H518-Y643 HydrophobicContact CB-CE1 3.64Å; H518-Y643 HydrophobicContact CB-CG 4.48Å; H518-Y643 AromaticContact CD2-CE1 3.31Å; H518-Y643 WeakPolarHBondContact CD2-CE1 3.33Å; H518-Y643 AromaticContact CD2-CZ 3.53Å; H518-Y643 AromaticContact CG-CE1 3.69Å; H518-Y643 CarbonylContact O-C 3.54Å; H518-Y643 WeakPolarHBondContact O-CA 3.35Å; W531-Y643 AromaticContact CH2-CD1 3.66Å; W531-Y643 HydrophobicContact CH2-CD1 3.66Å; W531-Y643 HydrophobicContact CH2-CD2 4.16Å; W531-Y643 HydrophobicContact CH2-CE1 4.4Å; W531-Y643 AromaticContact CH2-CG 3.54Å; W531-Y643 HydrophobicContact CH2-CG 3.54Å; W531-Y643 AromaticContact CZ2-CD1 3.49Å; W531-Y643 HydrophobicContact CZ2-CD1 3.49Å; W531-Y643 VanDerWaalsContact CZ2-CD1 3.49Å; W531-Y643 HydrophobicContact CZ2-CE1 4.02Å; W531-Y643 AromaticContact CZ2-CG 3.9Å; W531-Y643 HydrophobicContact CZ2-CG 3.9Å; R538-Y643 PolarHBondContact NH2-OH 3.44Å; L539-Y643 HydrophobicContact CD1-CD2 4.35Å; L539-Y643 HydrophobicContact CD1-CE2 4.44Å; L539-Y643 HydrophobicContact CD2-CD2 4.16Å; L539-Y643 HydrophobicContact CD2-CE2 3.49Å; L539-Y643 VanDerWaalsContact CD2-CE2 3.49Å; V614-Y643 PolarHBondContact O-N 3.42Å; I615-Y643 CarbonylContact C-O 3.21Å; I615-Y643 WeakPolarHBondContact CA-O 3.37Å; N616-Y643 PolarHBondContact N-O 3.47Å; T641-Y643 HydrophobicContact CG2-CD2 4.12Å; T641-Y643 HydrophobicContact CG2-CE2 3.43Å; T641-Y643 VanDerWaalsContact CG2-CE2 3.43Å
644	T	95.5	Very high	86.8	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	116.8	176.1	-60.2	0	0	0	0	110.5	H518 V519 E520 N616 V619 H626	H518-T644 PolarHBondContact O-N 2.89Å; V519-T644 WeakPolarHBondContact CA-O 3.44Å; E520-T644 PolarHBondContact N-O 2.77Å; N616-T644 HydrophobicContact CB-CG2 4.03Å; N616-T644 PolarHBondContact ND2-OG1 3.3Å; V619-T644 HydrophobicContact CG1-CG2 4.44Å; H626-T644 PolarHBondContact CE1-OG1 3.46Å; H626-T644 VanDerWaalsContact CE1-OG1 3.28Å
645	L	95.5	Very high	87.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	110.1	-177.6	-46.9	-171.4	0	0	0	107.8	E520 F522 K528 W531 I615 N616 Y617	E520-L645 HydrophobicContact CB-CD2 3.97Å; E520-L645 HydrophobicContact CG-CD2 4.37Å; F522-L645 HydrophobicContact CD2-CB 4.28Å; F522-L645 HydrophobicContact CE2-CB 3.78Å; F522-L645 HydrophobicContact CE2-CD2 3.85Å; F522-L645 HydrophobicContact CE2-CG 4.25Å; F522-L645 HydrophobicContact CZ-CD2 4.24Å; K528-L645 HydrophobicContact CB-CD1 4.19Å; K528-L645 HydrophobicContact CD-CB 4.15Å; K528-L645 VanDerWaalsContact CE-C 3.42Å; K528-L645 VanDerWaalsContact CE-CB 3.49Å; K528-L645 WeakPolarHBondContact CE-O 2.97Å; K528-L645 HydrophobicContact CG-CB 4.17Å; K528-L645 HydrophobicContact CG-CD1 4.45Å; K528-L645 PolarHBondContact NZ-O 2.84Å; W531-L645 HydrophobicContact CD2-CD2 3.77Å; W531-L645 HydrophobicContact CE3-CD1 3.72Å; W531-L645 HydrophobicContact CE3-CD2 3.47Å; W531-L645 VanDerWaalsContact CE3-CD2 3.47Å; W531-L645 HydrophobicContact CE3-CG 4.24Å; W531-L645 HydrophobicContact CH2-CD2 4Å; W531-L645 HydrophobicContact CZ2-CD2 4.2Å; W531-L645 HydrophobicContact CZ3-CD1 4.14Å; W531-L645 HydrophobicContact CZ3-CD2 3.62Å; W531-L645 HydrophobicContact CZ3-CG 4.4Å; I615-L645 HydrophobicContact CG2-CD1 4.32Å; I615-L645 HydrophobicContact CG2-CG 4.37Å; N616-L645 PolarHBondContact O-N 3.43Å; Y617-L645 HydrophobicContact CD2-CD1 3.77Å; Y617-L645 HydrophobicContact CE2-CD1 4.35Å
646	F	94.9	Very high	88.3	Confident	1 Å²	1	42.3 Å²	42.3	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.5	-178.5	-170.5	-79.1	0	0	0	109.7	V519 E520 I521 F522 V619 D651 F655 A656 L674 I677	V519-F646 HydrophobicContact CG1-CB 4.15Å; E520-F646 PolarHBondContact O-N 3.16Å; I521-F646 WeakPolarHBondContact CA-O 3.36Å; I521-F646 HydrophobicContact CG1-CB 4.19Å; I521-F646 HydrophobicContact CG1-CD1 4.46Å; F522-F646 PolarHBondContact N-O 3.21Å; V619-F646 HydrophobicContact CG1-CD2 3.82Å; V619-F646 HydrophobicContact CG1-CE2 4.43Å; F646-D651 WeakPolarHBondContact CA-OD2 3.32Å; F646-D651 HydrophobicContact CD1-CB 4.44Å; F646-D651 HydrophobicContact CD2-CB 4.08Å; F646-D651 HydrophobicContact CE1-CB 4.12Å; F646-D651 HydrophobicContact CE2-CB 3.74Å; F646-D651 HydrophobicContact CG-CB 4.4Å; F646-D651 HydrophobicContact CZ-CB 3.75Å; F646-F655 HydrophobicContact CE2-CD1 4.25Å; F646-A656 HydrophobicContact CE2-CB 3.91Å; F646-A656 HydrophobicContact CZ-CB 3.85Å; F646-L674 HydrophobicContact CD2-CD1 4.42Å; F646-L674 HydrophobicContact CG-CD1 4.48Å; F646-I677 HydrophobicContact CD1-CD1 4.26Å; F646-I677 HydrophobicContact CE1-CD1 3.93Å; F646-I677 HydrophobicContact CE1-CG2 4.2Å; F646-I677 HydrophobicContact CZ-CG2 4.25Å
647	V	93.7	Very high	89.4	Confident	4 Å²	4	37.7 Å²	37.7	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	115.2	172.2	-168.9	0	0	0	0	110	F522 I525 K528 G649 K650 D651	F522-V647 CarbonylContact O-C 3.56Å; F522-V647 WeakPolarHBondContact O-CA 3.44Å; I525-V647 HydrophobicContact CG1-CG1 4.34Å; I525-V647 HydrophobicContact CG1-CG2 4.41Å; K528-V647 HydrophobicContact CD-CG2 3.65Å; K528-V647 HydrophobicContact CG-CG2 4.22Å; V647-G649 PolarHBondContact O-N 2.88Å; V647-K650 HydrophobicContact CB-CB 4.06Å; V647-K650 HydrophobicContact CG1-CB 4.09Å; V647-K650 PolarHBondContact O-N 3.12Å; V647-D651 PolarHBondContact N-OD2 2.85Å; V647-D651 PolarHBondContact O-N 2.98Å
648	A	89.3	Confident	90.4	Very high	28 Å²	28	37 Å²	37	23%	0.231	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	129	172.4	0	0	0	0	0	110.5	I521 F522 K650 I677	I521-A648 HydrophobicContact CG2-CB 4.39Å; F522-A648 PolarHBondContact O-N 3.42Å; A648-K650 VanDerWaalsContact C-N 3.3Å; A648-K650 PolarHBondContact O-N 2.89Å; A648-I677 HydrophobicContact CB-CD1 3.91Å
649	G	85.5	Confident	91	Very high	92 Å²	92	34.4 Å²	34.4	95%	0.948	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.9	-10.3	178.3	0	0	0	0	0	116.1	V647	V647-G649 PolarHBondContact O-N 2.88Å
650	K	88.4	Confident	91.2	Very high	110 Å²	110	26.9 Å²	26.9	48%	0.478	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-45.7	169.5	-171.7	-157.6	-178.4	-174.6	0	112	I525 V647 A648	I525-K650 HydrophobicContact CD1-CD 3.81Å; I525-K650 HydrophobicContact CG1-CD 4.02Å; V647-K650 HydrophobicContact CB-CB 4.06Å; V647-K650 HydrophobicContact CG1-CB 4.09Å; V647-K650 PolarHBondContact O-N 3.12Å; A648-K650 VanDerWaalsContact C-N 3.3Å; A648-K650 PolarHBondContact O-N 2.89Å
651	D	90.2	Very high	91	Very high	18 Å²	18	31.6 Å²	31.6	10%	0.096	19%	0.194	C	C	.	.	S	Bend	trans	-82.6	145.3	-176.2	-64.2	-21.6	0	0	0	109.9	K528 V619 F646 V647	K528-D651 IonicContact NZ-OD2 3.54Å; K528-D651 PolarHBondContact NZ-OD2 2.88Å; V619-D651 HydrophobicContact CG1-CB 4.15Å; V619-D651 HydrophobicContact CG2-CB 3.88Å; F646-D651 WeakPolarHBondContact CA-OD2 3.32Å; F646-D651 HydrophobicContact CD1-CB 4.44Å; F646-D651 HydrophobicContact CD2-CB 4.08Å; F646-D651 HydrophobicContact CE1-CB 4.12Å; F646-D651 HydrophobicContact CE2-CB 3.74Å; F646-D651 HydrophobicContact CG-CB 4.4Å; F646-D651 HydrophobicContact CZ-CB 3.75Å; V647-D651 PolarHBondContact N-OD2 2.85Å; V647-D651 PolarHBondContact O-N 2.98Å
652	P	89.8	Confident	90.6	Very high	69 Å²	69	31.3 Å²	31.3	45%	0.448	19%	0.191	S	C	.	.			trans	-62.7	138.8	-168.9	-24.1	34.6	0	0	0	114.1	D654 F655 A656	P652-D654 VanDerWaalsContact C-N 3.34Å; P652-D654 PolarHBondContact O-N 3.41Å; P652-F655 HydrophobicContact CB-CB 4.09Å; P652-F655 PolarHBondContact O-N 3.42Å; P652-A656 PolarHBondContact O-N 2.88Å
653	V	89.6	Confident	90.3	Very high	54 Å²	54	31.3 Å²	31.3	33%	0.327	19%	0.191	S	C	.	.	H	α-helix	trans	-67.3	-36.7	179.5	-167.8	0	0	0	0	111.2	F655 A656 A657 I677 K680 C681	V653-F655 VanDerWaalsContact C-N 3.32Å; V653-F655 PolarHBondContact O-N 3.41Å; V653-A656 WeakPolarHBondContact O-CB 3.48Å; V653-A656 PolarHBondContact O-N 3.24Å; V653-A656 VanDerWaalsContact O-N 3.11Å; V653-A657 PolarHBondContact O-N 3.41Å; V653-I677 HydrophobicContact CG1-CG2 4.28Å; V653-I677 VanDerWaalsContact CG1-O 3.23Å; V653-I677 WeakPolarHBondContact CG1-O 3.42Å; V653-K680 HydrophobicContact CG1-CB 3.97Å; V653-C681 HydrophobicContact CG1-CB 4.02Å
654	D	89	Confident	89.8	Confident	92 Å²	92	34.7 Å²	34.7	49%	0.492	21%	0.207	S	C	.	.	H	α-helix	trans	-66.6	-36.4	178.3	-45.1	-55.3	0	0	0	111.3	P652 A656 A657 C658 C681	P652-D654 VanDerWaalsContact C-N 3.34Å; P652-D654 PolarHBondContact O-N 3.41Å; D654-A656 VanDerWaalsContact C-N 3.31Å; D654-A656 PolarHBondContact O-N 3.03Å; D654-A657 WeakPolarHBondContact O-CB 3.35Å; D654-A657 PolarHBondContact O-N 2.95Å; D654-C658 PolarHBondContact O-N 3.5Å; D654-C658 PolarHBondContact O-SG 3.39Å; D654-C658 VanDerWaalsContact O-SG 3.37Å; D654-C681 PolarHBondContact OD1-SG 3.34Å
655	F	90.5	Very high	88.9	Confident	11 Å²	11	36.9 Å²	36.9	5%	0.048	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-37.1	172.3	-176.5	-93.8	0	0	0	111.6	V619 A620 H626 F646 P652 V653 L659	V619-F655 HydrophobicContact CB-CD1 4.08Å; V619-F655 HydrophobicContact CB-CE1 3.79Å; V619-F655 HydrophobicContact CB-CZ 4.33Å; V619-F655 HydrophobicContact CG1-CD1 4.16Å; V619-F655 HydrophobicContact CG1-CE1 3.87Å; A620-F655 HydrophobicContact CB-CE2 4.12Å; A620-F655 HydrophobicContact CB-CZ 4.28Å; H626-F655 HydrophobicContact CB-CE2 4.21Å; H626-F655 HydrophobicContact CB-CZ 4.03Å; H626-F655 AromaticContact ND1-CZ 3.8Å; F646-F655 HydrophobicContact CE2-CD1 4.25Å; P652-F655 HydrophobicContact CB-CB 4.09Å; P652-F655 PolarHBondContact O-N 3.42Å; V653-F655 VanDerWaalsContact C-N 3.32Å; V653-F655 PolarHBondContact O-N 3.41Å; F655-L659 HydrophobicContact CE1-CB 4.45Å; F655-L659 HydrophobicContact CE1-CD2 4.01Å; F655-L659 WeakPolarHBondContact O-CB 3.4Å; F655-L659 PolarHBondContact O-N 2.89Å
656	A	91.6	Very high	87.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.1	-40	173.4	0	0	0	0	0	112	F646 P652 V653 D654 L659 V660 L674 I677	F646-A656 HydrophobicContact CE2-CB 3.91Å; F646-A656 HydrophobicContact CZ-CB 3.85Å; P652-A656 PolarHBondContact O-N 2.88Å; V653-A656 WeakPolarHBondContact O-CB 3.48Å; V653-A656 PolarHBondContact O-N 3.24Å; V653-A656 VanDerWaalsContact O-N 3.11Å; D654-A656 VanDerWaalsContact C-N 3.31Å; D654-A656 PolarHBondContact O-N 3.03Å; A656-L659 PolarHBondContact O-N 2.7Å; A656-V660 WeakPolarHBondContact O-CG2 3.46Å; A656-V660 PolarHBondContact O-N 2.99Å; A656-L674 HydrophobicContact CB-CD1 4.06Å; A656-I677 HydrophobicContact CB-CB 4.47Å; A656-I677 HydrophobicContact CB-CG2 3.79Å
657	A	90	Very high	87.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-50.2	175	0	0	0	0	0	112.6	V653 D654 L659 V660 Q661 A678 C681 W683 F684	V653-A657 PolarHBondContact O-N 3.41Å; D654-A657 WeakPolarHBondContact O-CB 3.35Å; D654-A657 PolarHBondContact O-N 2.95Å; A657-L659 VanDerWaalsContact C-N 3.29Å; A657-L659 PolarHBondContact O-N 2.91Å; A657-V660 PolarHBondContact O-N 3.45Å; A657-Q661 PolarHBondContact O-N 3Å; A657-A678 HydrophobicContact CB-CB 4.31Å; A657-C681 HydrophobicContact CB-CB 4.04Å; A657-W683 HydrophobicContact CB-CH2 4.35Å; A657-W683 HydrophobicContact CB-CZ2 3.66Å; A657-F684 HydrophobicContact CB-CB 3.68Å; A657-F684 HydrophobicContact CB-CD2 3.75Å; A657-F684 HydrophobicContact CB-CG 3.78Å
658	C	88.9	Confident	86.7	Confident	43 Å²	43	43.9 Å²	43.9	29%	0.291	27%	0.269	S	S	.	.	H	α-helix	trans	-60.6	-38.8	174.7	-61.5	0	0	0	0	112.1	I623 D654 Q661 H662	I623-C658 HydrophobicContact CB-CB 4.11Å; I623-C658 HydrophobicContact CG1-CB 4.37Å; I623-C658 HydrophobicContact CG2-CB 4.46Å; D654-C658 PolarHBondContact O-N 3.5Å; D654-C658 PolarHBondContact O-SG 3.39Å; D654-C658 VanDerWaalsContact O-SG 3.37Å; C658-Q661 PolarHBondContact O-N 2.92Å; C658-H662 WeakPolarHBondContact O-CB 3.38Å; C658-H662 PolarHBondContact O-N 2.95Å
659	L	90.4	Very high	86.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-68	-39.1	179.4	-176.6	60.2	0	0	0	112.5	V519 I623 H626 F655 A656 A657 H662 L663 L674	V519-L659 HydrophobicContact CG1-CD2 4.19Å; V519-L659 HydrophobicContact CG2-CD2 3.88Å; V519-L659 HydrophobicContact CG2-CG 4.39Å; I623-L659 HydrophobicContact CD1-CB 4.44Å; I623-L659 HydrophobicContact CD1-CD1 4.17Å; H626-L659 WeakPolarHBondContact NE2-CD1 3.47Å; F655-L659 HydrophobicContact CE1-CB 4.45Å; F655-L659 HydrophobicContact CE1-CD2 4.01Å; F655-L659 WeakPolarHBondContact O-CB 3.4Å; F655-L659 PolarHBondContact O-N 2.89Å; A656-L659 PolarHBondContact O-N 2.7Å; A657-L659 VanDerWaalsContact C-N 3.29Å; A657-L659 PolarHBondContact O-N 2.91Å; L659-H662 PolarHBondContact O-N 3Å; L659-L663 HydrophobicContact CD1-CG 4.4Å; L659-L663 HydrophobicContact CG-CD1 4.28Å; L659-L663 VanDerWaalsContact O-CG 3.29Å; L659-L663 WeakPolarHBondContact O-CG 3.36Å; L659-L663 PolarHBondContact O-N 3.37Å; L659-L674 HydrophobicContact CD2-CD2 4.14Å; L659-L674 HydrophobicContact CG-CD2 4.17Å
660	V	90.4	Very high	86.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-47.6	173.1	172.3	0	0	0	0	110.4	A656 A657 H662 L663 E664 V670 L674 A678 F684	A656-V660 WeakPolarHBondContact O-CG2 3.46Å; A656-V660 PolarHBondContact O-N 2.99Å; A657-V660 PolarHBondContact O-N 3.45Å; V660-H662 VanDerWaalsContact C-N 3.28Å; V660-H662 PolarHBondContact O-N 3.37Å; V660-L663 PolarHBondContact O-N 3.28Å; V660-E664 HydrophobicContact CG1-CG 4.36Å; V660-E664 WeakPolarHBondContact O-CG 3.17Å; V660-E664 PolarHBondContact O-N 3.27Å; V660-V670 HydrophobicContact CG1-CG1 4.06Å; V660-V670 HydrophobicContact CG1-CG2 4.39Å; V660-V670 HydrophobicContact CG2-CG1 4.05Å; V660-L674 HydrophobicContact CG2-CB 4.31Å; V660-L674 HydrophobicContact CG2-CD2 3.75Å; V660-L674 HydrophobicContact CG2-CG 3.69Å; V660-A678 HydrophobicContact CB-CB 4.38Å; V660-A678 HydrophobicContact CG2-CB 3.79Å; V660-F684 HydrophobicContact CB-CE2 4.28Å; V660-F684 HydrophobicContact CB-CZ 3.97Å; V660-F684 HydrophobicContact CG1-CE2 4.25Å; V660-F684 HydrophobicContact CG1-CZ 3.63Å
661	Q	85.5	Confident	87	Confident	101 Å²	101	44.7 Å²	44.7	47%	0.472	25%	0.247	S	C	.	.	H	α-helix	trans	-60.5	-37.6	178.2	-174.4	176.5	-9.6	0	0	112.4	A657 C658 E664 S665	A657-Q661 PolarHBondContact O-N 3Å; C658-Q661 PolarHBondContact O-N 2.92Å; Q661-E664 PolarHBondContact O-N 3.02Å; Q661-S665 PolarHBondContact O-N 3.25Å; Q661-S665 PolarHBondContact O-OG 3.43Å
662	H	84.7	Confident	87	Confident	14 Å²	14	50.5 Å²	50.5	7%	0.065	27%	0.273	C	S	.	.	H	α-helix	trans	-70.6	-34.6	176.6	-175.6	78.6	0	0	0	113.6	I623 T627 C658 L659 V660 S665 G666	I623-H662 HydrophobicContact CD1-CB 3.78Å; I623-H662 HydrophobicContact CG1-CB 4.02Å; T627-H662 PolarHBondContact OG1-CE1 3.37Å; C658-H662 WeakPolarHBondContact O-CB 3.38Å; C658-H662 PolarHBondContact O-N 2.95Å; L659-H662 PolarHBondContact O-N 3Å; V660-H662 VanDerWaalsContact C-N 3.28Å; V660-H662 PolarHBondContact O-N 3.37Å; H662-S665 PolarHBondContact O-OG 2.89Å; H662-S665 VanDerWaalsContact O-OG 3.1Å; H662-G666 PolarHBondContact O-N 2.68Å
663	L	87.1	Confident	87.1	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-71.1	-38.6	173.4	-71.1	170.3	0	0	0	111.4	Q517 V519 L659 V660 G666 S667 Q668 V670 L674	Q517-L663 HydrophobicContact CB-CD2 3.6Å; Q517-L663 HydrophobicContact CG-CD2 4.36Å; V519-L663 HydrophobicContact CG2-CD1 3.81Å; L659-L663 HydrophobicContact CD1-CG 4.4Å; L659-L663 HydrophobicContact CG-CD1 4.28Å; L659-L663 VanDerWaalsContact O-CG 3.29Å; L659-L663 WeakPolarHBondContact O-CG 3.36Å; L659-L663 PolarHBondContact O-N 3.37Å; V660-L663 PolarHBondContact O-N 3.28Å; L663-G666 CarbonylContact O-C 3.57Å; L663-G666 PolarHBondContact O-N 2.87Å; L663-S667 PolarHBondContact O-N 2.85Å; L663-Q668 HydrophobicContact CB-CB 4.19Å; L663-Q668 HydrophobicContact CD2-CB 3.74Å; L663-Q668 HydrophobicContact CD2-CG 4.17Å; L663-Q668 WeakPolarHBondContact O-CB 3.44Å; L663-Q668 PolarHBondContact O-N 3.49Å; L663-V670 HydrophobicContact CB-CG2 3.86Å; L663-V670 HydrophobicContact CD1-CG2 4.46Å; L663-L674 HydrophobicContact CD1-CD2 3.81Å
664	E	85.7	Confident	87.2	Confident	88 Å²	88	49.9 Å²	49.9	41%	0.411	26%	0.256	S	S	.	.	H	α-helix	trans	-67.2	-39.7	177.1	-71.4	-178.3	142.8	0	0	112.1	V660 Q661 G666 S667 V670 R688	V660-E664 HydrophobicContact CG1-CG 4.36Å; V660-E664 WeakPolarHBondContact O-CG 3.17Å; V660-E664 PolarHBondContact O-N 3.27Å; Q661-E664 PolarHBondContact O-N 3.02Å; E664-G666 VanDerWaalsContact C-N 3.34Å; E664-S667 PolarHBondContact O-N 2.75Å; E664-V670 HydrophobicContact CG-CG2 3.75Å; E664-R688 IonicContact OE1-CZ 2.69Å; E664-R688 IonicContact OE1-NH1 3.69Å; E664-R688 IonicContact OE1-NH2 3.83Å; E664-R688 PolarHBondContact OE1-NH2 3.38Å; E664-R688 IonicContact OE2-CZ 3.68Å; E664-R688 IonicContact OE2-NH2 3.77Å; E664-R688 PolarHBondContact OE2-NH2 3.15Å
665	S	77	Confident	87.3	Confident	49 Å²	49	46.9 Å²	46.9	34%	0.343	24%	0.24	S	C	.	.	H	α-helix	trans	-66.5	-34.6	172.9	65.4	0	0	0	0	112.6	Q661 H662 S667	Q661-S665 PolarHBondContact O-N 3.25Å; Q661-S665 PolarHBondContact O-OG 3.43Å; H662-S665 PolarHBondContact O-OG 2.89Å; H662-S665 VanDerWaalsContact O-OG 3.1Å; S665-S667 PolarHBondContact O-N 3.3Å
666	G	73.1	Confident	87.3	Confident	5 Å²	5	50.6 Å²	50.6	5%	0.052	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	8.8	174.2	0	0	0	0	0	115.6	H662 L663 E664 Q668	H662-G666 PolarHBondContact O-N 2.68Å; L663-G666 CarbonylContact O-C 3.57Å; L663-G666 PolarHBondContact O-N 2.87Å; E664-G666 VanDerWaalsContact C-N 3.34Å; G666-Q668 WeakPolarHBondContact O-CG 3.45Å; G666-Q668 PolarHBondContact O-N 3.07Å; G666-Q668 VanDerWaalsContact O-N 3.08Å; G666-Q668 PolarHBondContact O-NE2 3.43Å
667	S	79.8	Confident	87.2	Confident	108 Å²	108	51.4 Å²	51.4	76%	0.755	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	29.7	-173.1	-64.8	0	0	0	0	114.5	L663 E664 S665	L663-S667 PolarHBondContact O-N 2.85Å; E664-S667 PolarHBondContact O-N 2.75Å; S665-S667 PolarHBondContact O-N 3.3Å
668	Q	84.7	Confident	87.2	Confident	38 Å²	38	51.4 Å²	51.4	18%	0.178	26%	0.264	C	S	.	.			trans	-87.8	156.2	-177.3	-59.9	-60.9	-61.2	0	0	111.8	Q517 L663 G666 V670	Q517-Q668 HydrophobicContact CB-CG 4.06Å; Q517-Q668 HydrophobicContact CG-CG 4.19Å; L663-Q668 HydrophobicContact CB-CB 4.19Å; L663-Q668 HydrophobicContact CD2-CB 3.74Å; L663-Q668 HydrophobicContact CD2-CG 4.17Å; L663-Q668 WeakPolarHBondContact O-CB 3.44Å; L663-Q668 PolarHBondContact O-N 3.49Å; G666-Q668 WeakPolarHBondContact O-CG 3.45Å; G666-Q668 PolarHBondContact O-N 3.07Å; G666-Q668 VanDerWaalsContact O-N 3.08Å; G666-Q668 PolarHBondContact O-NE2 3.43Å; Q668-V670 PolarHBondContact O-N 3.44Å; Q668-V670 VanDerWaalsContact O-N 3.09Å
669	K	87.5	Confident	87.2	Confident	187 Å²	187	53 Å²	53	81%	0.813	27%	0.269	S	S	*	.			trans	-74	101.8	178.4	-173.9	-177.7	178.9	179.3	0	111.3	P671	K669-P671 WeakPolarHBondContact O-CD 3.32Å
670	V	89.5	Confident	87.1	Confident	27 Å²	27	60.2 Å²	60.2	16%	0.164	30%	0.301	C	S	.	.			trans	-67.6	126.1	172	-176	0	0	0	0	110.8	V660 L663 E664 Q668 L675	V660-V670 HydrophobicContact CG1-CG1 4.06Å; V660-V670 HydrophobicContact CG1-CG2 4.39Å; V660-V670 HydrophobicContact CG2-CG1 4.05Å; L663-V670 HydrophobicContact CB-CG2 3.86Å; L663-V670 HydrophobicContact CD1-CG2 4.46Å; E664-V670 HydrophobicContact CG-CG2 3.75Å; Q668-V670 PolarHBondContact O-N 3.44Å; Q668-V670 VanDerWaalsContact O-N 3.09Å; V670-L675 HydrophobicContact CG1-CB 4.3Å
671	P	91.3	Very high	86.9	Confident	34 Å²	34	60.4 Å²	60.4	22%	0.221	30%	0.302	C	S	.	.			trans	-69.8	135	169.8	-15	29	0	0	0	111	V519 K669 R673 L674 L675	V519-P671 HydrophobicContact CB-CG 4.1Å; V519-P671 VanDerWaalsContact O-CG 3.3Å; V519-P671 WeakPolarHBondContact O-CG 3.4Å; K669-P671 WeakPolarHBondContact O-CD 3.32Å; P671-R673 VanDerWaalsContact C-N 3.29Å; P671-R673 PolarHBondContact O-N 3.45Å; P671-L674 HydrophobicContact CB-CB 4.32Å; P671-L674 HydrophobicContact CG-CB 4.43Å; P671-L674 WeakPolarHBondContact O-CA 3.46Å; P671-L674 VanDerWaalsContact O-CB 3.27Å; P671-L674 WeakPolarHBondContact O-CB 3.32Å; P671-L674 PolarHBondContact O-N 2.82Å; P671-L675 PolarHBondContact O-N 2.81Å
672	Q	90.8	Very high	86.8	Confident	139 Å²	139	61.9 Å²	61.9	65%	0.65	31%	0.313	S	S	*	.	H	α-helix	trans	-57	-41.9	179.7	-64.3	-62.9	-10.2	0	0	112.2	L674 L675 D676	Q672-L674 PolarHBondContact O-N 3.3Å; Q672-L674 VanDerWaalsContact O-N 3.09Å; Q672-L675 WeakPolarHBondContact O-CA 3.43Å; Q672-L675 WeakPolarHBondContact O-CB 3.29Å; Q672-L675 PolarHBondContact O-N 2.91Å; Q672-D676 VanDerWaalsContact O-CG 3.24Å; Q672-D676 PolarHBondContact O-N 3.11Å
673	R	91.9	Very high	86.8	Confident	110 Å²	110	64.5 Å²	64.5	42%	0.415	32%	0.323	S	S	.	.	H	α-helix	trans	-56.5	-27.3	173.8	-65.2	-165.6	72.7	-175.8	4.8	113.7	I521 D523 P671 I677	I521-R673 HydrophobicContact CB-CB 4.45Å; I521-R673 VanDerWaalsContact CD1-C 3.42Å; I521-R673 HydrophobicContact CD1-CB 3.64Å; I521-R673 HydrophobicContact CG2-CB 4.39Å; D523-R673 VanDerWaalsContact CG-NH2 3.33Å; D523-R673 IonicContact OD1-CZ 3.42Å; D523-R673 IonicContact OD1-NH1 2.88Å; D523-R673 IonicContact OD1-NH2 3.79Å; D523-R673 PolarHBondContact OD1-NH2 3.06Å; D523-R673 IonicContact OD2-CZ 2.69Å; D523-R673 IonicContact OD2-NH1 2.64Å; D523-R673 PolarHBondContact OD2-NH1 2.92Å; D523-R673 IonicContact OD2-NH2 3.51Å; D523-R673 PolarHBondContact OD2-NH2 2.88Å; P671-R673 VanDerWaalsContact C-N 3.29Å; P671-R673 PolarHBondContact O-N 3.45Å; R673-I677 WeakPolarHBondContact O-CD1 3.35Å; R673-I677 VanDerWaalsContact O-CG1 3.26Å; R673-I677 WeakPolarHBondContact O-CG1 3.28Å; R673-I677 PolarHBondContact O-N 3.4Å
674	L	91.8	Very high	86.7	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-76.2	-43.1	177	-168	65.1	0	0	0	110.3	V519 I521 F646 A656 L659 V660 L663 P671 Q672 D676 I677 A678	V519-L674 HydrophobicContact CB-CD2 4.28Å; V519-L674 HydrophobicContact CG1-CD1 4.1Å; V519-L674 HydrophobicContact CG1-CD2 4.1Å; V519-L674 HydrophobicContact CG2-CD2 4.25Å; I521-L674 VanDerWaalsContact CD1-CA 3.42Å; I521-L674 HydrophobicContact CD1-CB 3.62Å; I521-L674 HydrophobicContact CD1-CD1 3.99Å; I521-L674 HydrophobicContact CD1-CG 4.4Å; F646-L674 HydrophobicContact CD2-CD1 4.42Å; F646-L674 HydrophobicContact CG-CD1 4.48Å; A656-L674 HydrophobicContact CB-CD1 4.06Å; L659-L674 HydrophobicContact CD2-CD2 4.14Å; L659-L674 HydrophobicContact CG-CD2 4.17Å; V660-L674 HydrophobicContact CG2-CB 4.31Å; V660-L674 HydrophobicContact CG2-CD2 3.75Å; V660-L674 HydrophobicContact CG2-CG 3.69Å; L663-L674 HydrophobicContact CD1-CD2 3.81Å; P671-L674 HydrophobicContact CB-CB 4.32Å; P671-L674 HydrophobicContact CG-CB 4.43Å; P671-L674 WeakPolarHBondContact O-CA 3.46Å; P671-L674 VanDerWaalsContact O-CB 3.27Å; P671-L674 WeakPolarHBondContact O-CB 3.32Å; P671-L674 PolarHBondContact O-N 2.82Å; Q672-L674 PolarHBondContact O-N 3.3Å; Q672-L674 VanDerWaalsContact O-N 3.09Å; L674-D676 VanDerWaalsContact C-N 3.34Å; L674-I677 PolarHBondContact O-N 2.81Å; L674-I677 VanDerWaalsContact O-N 3.15Å; L674-A678 WeakPolarHBondContact O-CB 3.4Å; L674-A678 PolarHBondContact O-N 2.88Å
675	L	90.4	Very high	86.6	Confident	30 Å²	30	62 Å²	62	16%	0.157	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-40.5	176.3	-172.2	146.6	0	0	0	111	V670 P671 Q672 I677 A678 L679	V670-L675 HydrophobicContact CG1-CB 4.3Å; P671-L675 PolarHBondContact O-N 2.81Å; Q672-L675 WeakPolarHBondContact O-CA 3.43Å; Q672-L675 WeakPolarHBondContact O-CB 3.29Å; Q672-L675 PolarHBondContact O-N 2.91Å; L675-I677 PolarHBondContact O-N 3.41Å; L675-A678 PolarHBondContact O-N 2.73Å; L675-L679 HydrophobicContact CD2-CD1 3.57Å; L675-L679 HydrophobicContact CD2-CG 4.08Å; L675-L679 WeakPolarHBondContact O-CB 3.47Å; L675-L679 VanDerWaalsContact O-CG 3.31Å; L675-L679 WeakPolarHBondContact O-CG 3.4Å; L675-L679 PolarHBondContact O-N 3.1Å
676	D	91	Very high	86.7	Confident	88 Å²	88	64.9 Å²	64.9	47%	0.471	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-30.2	172.9	-62.2	-33.4	0	0	0	113.3	Q672 L674 K680	Q672-D676 VanDerWaalsContact O-CG 3.24Å; Q672-D676 PolarHBondContact O-N 3.11Å; L674-D676 VanDerWaalsContact C-N 3.34Å; D676-K680 WeakPolarHBondContact O-CE 3.5Å
677	I	90.3	Very high	87	Confident	17 Å²	17	67.2 Å²	67.2	9%	0.087	34%	0.339	C	S	.	.	H	α-helix	trans	-80	-46.9	174.5	-66.8	164.2	0	0	0	109.7	I521 F646 A648 V653 A656 R673 L674 L675 L679 K680	I521-I677 HydrophobicContact CD1-CD1 4.39Å; I521-I677 HydrophobicContact CG2-CD1 4.12Å; F646-I677 HydrophobicContact CD1-CD1 4.26Å; F646-I677 HydrophobicContact CE1-CD1 3.93Å; F646-I677 HydrophobicContact CE1-CG2 4.2Å; F646-I677 HydrophobicContact CZ-CG2 4.25Å; A648-I677 HydrophobicContact CB-CD1 3.91Å; V653-I677 HydrophobicContact CG1-CG2 4.28Å; V653-I677 VanDerWaalsContact CG1-O 3.23Å; V653-I677 WeakPolarHBondContact CG1-O 3.42Å; A656-I677 HydrophobicContact CB-CB 4.47Å; A656-I677 HydrophobicContact CB-CG2 3.79Å; R673-I677 WeakPolarHBondContact O-CD1 3.35Å; R673-I677 VanDerWaalsContact O-CG1 3.26Å; R673-I677 WeakPolarHBondContact O-CG1 3.28Å; R673-I677 PolarHBondContact O-N 3.4Å; L674-I677 PolarHBondContact O-N 2.81Å; L674-I677 VanDerWaalsContact O-N 3.15Å; L675-I677 PolarHBondContact O-N 3.41Å; I677-L679 VanDerWaalsContact C-N 3.29Å; I677-L679 PolarHBondContact O-N 3.48Å; I677-K680 VanDerWaalsContact O-CB 3.3Å; I677-K680 WeakPolarHBondContact O-CB 3.36Å; I677-K680 PolarHBondContact O-N 2.84Å
678	A	89.4	Confident	86.9	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58.5	-36.8	177.6	0	0	0	0	0	113	A657 V660 L674 L675 K680 C681 F684	A657-A678 HydrophobicContact CB-CB 4.31Å; V660-A678 HydrophobicContact CB-CB 4.38Å; V660-A678 HydrophobicContact CG2-CB 3.79Å; L674-A678 WeakPolarHBondContact O-CB 3.4Å; L674-A678 PolarHBondContact O-N 2.88Å; L675-A678 PolarHBondContact O-N 2.73Å; A678-K680 PolarHBondContact O-N 2.98Å; A678-K680 VanDerWaalsContact O-N 3.16Å; A678-C681 VanDerWaalsContact O-CB 3.27Å; A678-C681 WeakPolarHBondContact O-CB 3.07Å; A678-C681 PolarHBondContact O-N 3.33Å; A678-F684 HydrophobicContact CB-CD1 3.81Å; A678-F684 HydrophobicContact CB-CE1 3.67Å; A678-F684 HydrophobicContact CB-CG 4.41Å; A678-F684 HydrophobicContact CB-CZ 4.15Å; A678-F684 WeakPolarHBondContact O-CD1 3.32Å
679	L	89.1	Confident	86.1	Confident	76 Å²	76	67.2 Å²	67.2	40%	0.398	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-11.7	174.7	-75.3	177	0	0	0	114.3	L675 I677 C681 F684 R688	L675-L679 HydrophobicContact CD2-CD1 3.57Å; L675-L679 HydrophobicContact CD2-CG 4.08Å; L675-L679 WeakPolarHBondContact O-CB 3.47Å; L675-L679 VanDerWaalsContact O-CG 3.31Å; L675-L679 WeakPolarHBondContact O-CG 3.4Å; L675-L679 PolarHBondContact O-N 3.1Å; I677-L679 VanDerWaalsContact C-N 3.29Å; I677-L679 PolarHBondContact O-N 3.48Å; L679-C681 VanDerWaalsContact C-N 3.3Å; L679-F684 HydrophobicContact CD2-CD1 4.28Å; L679-F684 HydrophobicContact CD2-CE1 4.3Å; L679-R688 HydrophobicContact CD2-CB 4.39Å; L679-R688 HydrophobicContact CD2-CG 4.27Å
680	K	88.1	Confident	84.8	Confident	152 Å²	152	62.1 Å²	62.1	66%	0.661	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-10.4	170.8	-56.4	176.8	-174.6	-179.9	0	112.5	V653 D676 I677 A678	V653-K680 HydrophobicContact CG1-CB 3.97Å; D676-K680 WeakPolarHBondContact O-CE 3.5Å; I677-K680 VanDerWaalsContact O-CB 3.3Å; I677-K680 WeakPolarHBondContact O-CB 3.36Å; I677-K680 PolarHBondContact O-N 2.84Å; A678-K680 PolarHBondContact O-N 2.98Å; A678-K680 VanDerWaalsContact O-N 3.16Å
681	C	86.4	Confident	83.2	Confident	4 Å²	4	66.6 Å²	66.6	3%	0.027	34%	0.342	C	S	.	.	S	Bend	trans	-84.6	125.6	172.8	-177.7	0	0	0	0	110.2	V653 D654 A657 A678 L679 W683 F684 A685	V653-C681 HydrophobicContact CG1-CB 4.02Å; D654-C681 PolarHBondContact OD1-SG 3.34Å; A657-C681 HydrophobicContact CB-CB 4.04Å; A678-C681 VanDerWaalsContact O-CB 3.27Å; A678-C681 WeakPolarHBondContact O-CB 3.07Å; A678-C681 PolarHBondContact O-N 3.33Å; L679-C681 VanDerWaalsContact C-N 3.3Å; C681-W683 PolarHBondContact O-N 3.43Å; C681-W683 PolarHBondContact SG-NE1 3.45Å; C681-F684 HydrophobicContact CB-CB 4.15Å; C681-F684 PolarHBondContact O-N 2.95Å; C681-A685 WeakPolarHBondContact O-CB 3Å; C681-A685 PolarHBondContact O-N 2.98Å
682	N	83.1	Confident	81.2	Confident	132 Å²	132	71.9 Å²	71.9	71%	0.706	37%	0.368	S	S	*	.	H	α-helix	trans	-59.4	-46.1	-173.3	-74.5	-9.8	0	0	0	113.2	F684 N686	N682-F684 VanDerWaalsContact C-N 3.34Å; N682-F684 PolarHBondContact O-N 3.38Å; N682-N686 WeakPolarHBondContact O-CB 3.31Å; N682-N686 PolarHBondContact O-N 3.03Å; N682-N686 PolarHBondContact O-ND2 3.45Å
683	W	85.4	Confident	79.1	Confident	69 Å²	69	68.5 Å²	68.5	26%	0.261	37%	0.371	S	S	.	.	H	α-helix	trans	-66.7	-38.4	-177.4	75.1	-102.3	0	0	0	111.6	A657 C681 N686 N687	A657-W683 HydrophobicContact CB-CH2 4.35Å; A657-W683 HydrophobicContact CB-CZ2 3.66Å; C681-W683 PolarHBondContact O-N 3.43Å; C681-W683 PolarHBondContact SG-NE1 3.45Å; W683-N686 PolarHBondContact O-N 3.03Å; W683-N687 WeakPolarHBondContact O-CB 3.18Å; W683-N687 PolarHBondContact O-N 3.1Å
684	F	84.9	Confident	76.9	Confident	6 Å²	6	72.1 Å²	72.1	3%	0.026	38%	0.384	C	S	.	.	H	α-helix	trans	-68.9	-44.5	179	-170.7	-97	0	0	0	112.4	A657 V660 A678 L679 C681 N682 N686 N687 R688	A657-F684 HydrophobicContact CB-CB 3.68Å; A657-F684 HydrophobicContact CB-CD2 3.75Å; A657-F684 HydrophobicContact CB-CG 3.78Å; V660-F684 HydrophobicContact CB-CE2 4.28Å; V660-F684 HydrophobicContact CB-CZ 3.97Å; V660-F684 HydrophobicContact CG1-CE2 4.25Å; V660-F684 HydrophobicContact CG1-CZ 3.63Å; A678-F684 HydrophobicContact CB-CD1 3.81Å; A678-F684 HydrophobicContact CB-CE1 3.67Å; A678-F684 HydrophobicContact CB-CG 4.41Å; A678-F684 HydrophobicContact CB-CZ 4.15Å; A678-F684 WeakPolarHBondContact O-CD1 3.32Å; L679-F684 HydrophobicContact CD2-CD1 4.28Å; L679-F684 HydrophobicContact CD2-CE1 4.3Å; C681-F684 HydrophobicContact CB-CB 4.15Å; C681-F684 PolarHBondContact O-N 2.95Å; N682-F684 VanDerWaalsContact C-N 3.34Å; N682-F684 PolarHBondContact O-N 3.38Å; F684-N686 VanDerWaalsContact C-N 3.34Å; F684-N686 PolarHBondContact O-N 3.48Å; F684-N687 PolarHBondContact O-N 3.01Å; F684-R688 HydrophobicContact CD1-CG 4.14Å; F684-R688 HydrophobicContact CE1-CG 3.84Å; F684-R688 HydrophobicContact CZ-CG 4.22Å; F684-R688 WeakPolarHBondContact O-CB 3.36Å; F684-R688 WeakPolarHBondContact O-CG 3.45Å; F684-R688 PolarHBondContact O-N 3.38Å
685	A	82.1	Confident	74.4	Confident	30 Å²	30	79.3 Å²	79.3	25%	0.248	42%	0.423	C	S	.	.	H	α-helix	trans	-62.1	-39.9	175.4	0	0	0	0	0	112.3	C681 S689	C681-A685 WeakPolarHBondContact O-CB 3Å; C681-A685 PolarHBondContact O-N 2.98Å; A685-S689 WeakPolarHBondContact O-CB 3.42Å; A685-S689 PolarHBondContact O-N 2.65Å; A685-S689 PolarHBondContact O-OG 2.86Å
686	N	80.3	Confident	72	Confident	110 Å²	110	86.4 Å²	86.4	59%	0.588	46%	0.455	S	S	*	.	H	α-helix	trans	-64.7	-41.1	174.9	-72.6	-21.1	0	0	0	111.9	N682 W683 F684 S689 S690	N682-N686 WeakPolarHBondContact O-CB 3.31Å; N682-N686 PolarHBondContact O-N 3.03Å; N682-N686 PolarHBondContact O-ND2 3.45Å; W683-N686 PolarHBondContact O-N 3.03Å; F684-N686 VanDerWaalsContact C-N 3.34Å; F684-N686 PolarHBondContact O-N 3.48Å; N686-S689 WeakPolarHBondContact CA-OG 3.25Å; N686-S689 PolarHBondContact O-OG 2.75Å; N686-S689 VanDerWaalsContact O-OG 3.1Å; N686-S690 PolarHBondContact O-N 3.2Å; N686-S690 VanDerWaalsContact O-N 3.16Å
687	N	78.6	Confident	69.3	Low	54 Å²	54	86.5 Å²	86.5	29%	0.289	48%	0.477	S	S	.	.	H	α-helix	trans	-67.4	-43.7	178.1	-162.2	19.7	0	0	0	111.7	W683 F684 S690 L691	W683-N687 WeakPolarHBondContact O-CB 3.18Å; W683-N687 PolarHBondContact O-N 3.1Å; F684-N687 PolarHBondContact O-N 3.01Å; N687-S690 PolarHBondContact O-N 3.04Å; N687-L691 PolarHBondContact O-N 3.27Å
688	R	78.3	Confident	66.6	Low	76 Å²	76	90.8 Å²	90.8	29%	0.287	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-46.9	176	-76.6	-78.6	-175.7	151.5	1	113.2	E664 L679 F684 S690 L691 N692	E664-R688 IonicContact OE1-CZ 2.69Å; E664-R688 IonicContact OE1-NH1 3.69Å; E664-R688 IonicContact OE1-NH2 3.83Å; E664-R688 PolarHBondContact OE1-NH2 3.38Å; E664-R688 IonicContact OE2-CZ 3.68Å; E664-R688 IonicContact OE2-NH2 3.77Å; E664-R688 PolarHBondContact OE2-NH2 3.15Å; L679-R688 HydrophobicContact CD2-CB 4.39Å; L679-R688 HydrophobicContact CD2-CG 4.27Å; F684-R688 HydrophobicContact CD1-CG 4.14Å; F684-R688 HydrophobicContact CE1-CG 3.84Å; F684-R688 HydrophobicContact CZ-CG 4.22Å; F684-R688 WeakPolarHBondContact O-CB 3.36Å; F684-R688 WeakPolarHBondContact O-CG 3.45Å; F684-R688 PolarHBondContact O-N 3.38Å; R688-S690 VanDerWaalsContact C-N 3.28Å; R688-S690 PolarHBondContact O-N 3.08Å; R688-L691 PolarHBondContact O-N 3.23Å; R688-L691 VanDerWaalsContact O-N 3.13Å; R688-N692 PolarHBondContact O-N 3.33Å
689	S	67.2	Low	64	Low	71 Å²	71	98.1 Å²	98.1	50%	0.497	55%	0.545	S	S	.	.	H	α-helix	trans	-65	-32.4	179	53	0	0	0	0	112.3	A685 N686 L691 N692 G693	A685-S689 WeakPolarHBondContact O-CB 3.42Å; A685-S689 PolarHBondContact O-N 2.65Å; A685-S689 PolarHBondContact O-OG 2.86Å; N686-S689 WeakPolarHBondContact CA-OG 3.25Å; N686-S689 PolarHBondContact O-OG 2.75Å; N686-S689 VanDerWaalsContact O-OG 3.1Å; S689-L691 VanDerWaalsContact C-N 3.27Å; S689-L691 PolarHBondContact O-N 3.21Å; S689-N692 PolarHBondContact O-N 3.06Å; S689-G693 PolarHBondContact O-N 3.33Å; S689-G693 VanDerWaalsContact O-N 3.1Å
690	S	60.4	Low	61.6	Low	79 Å²	79	105.5 Å²	105.5	55%	0.552	57%	0.567	S	S	*	*	H	α-helix	trans	-68.2	-21.2	173.9	-166	0	0	0	0	114.3	N686 N687 R688	N686-S690 PolarHBondContact O-N 3.2Å; N686-S690 VanDerWaalsContact O-N 3.16Å; N687-S690 PolarHBondContact O-N 3.04Å; R688-S690 VanDerWaalsContact C-N 3.28Å; R688-S690 PolarHBondContact O-N 3.08Å
691	L	56.2	Low	59.2	Low	122 Å²	122	104 Å²	104	64%	0.639	57%	0.573	S	S	*	*	H	α-helix	trans	-77.7	-48.2	171.9	-102.6	76.2	0	0	0	111.8	N687 R688 S689 G693	N687-L691 PolarHBondContact O-N 3.27Å; R688-L691 PolarHBondContact O-N 3.23Å; R688-L691 VanDerWaalsContact O-N 3.13Å; S689-L691 VanDerWaalsContact C-N 3.27Å; S689-L691 PolarHBondContact O-N 3.21Å; L691-G693 VanDerWaalsContact C-N 3.31Å; L691-G693 PolarHBondContact O-N 3.23Å
692	N	50.2	Low	56.7	Low	145 Å²	145	110.2 Å²	110.2	78%	0.775	62%	0.617	S	S	*	*	H	α-helix	trans	-69.3	-27.3	-178	-80.1	17.8	0	0	0	113	R688 S689 R694	R688-N692 PolarHBondContact O-N 3.33Å; S689-N692 PolarHBondContact O-N 3.06Å; N692-R694 PolarHBondContact O-N 3.4Å
693	G	46.3	Very low	54.6	Low	68 Å²	68	107.5 Å²	107.5	70%	0.701	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	5.9	-179.8	0	0	0	0	0	116.5	S689 L691	S689-G693 PolarHBondContact O-N 3.33Å; S689-G693 VanDerWaalsContact O-N 3.1Å; L691-G693 VanDerWaalsContact C-N 3.31Å; L691-G693 PolarHBondContact O-N 3.23Å
694	R	44.4	Very low	52.2	Low	185 Å²	185	107.5 Å²	107.5	70%	0.698	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-3.3	-175.7	-91.8	-177.5	166	176.4	-3.8	116.1	N692	N692-R694 PolarHBondContact O-N 3.4Å
695	N	40.3	Very low	49.8	Very low	152 Å²	152	116.9 Å²	116.9	81%	0.813	68%	0.682	S	S	*	*	S	Bend	trans	-128.8	10.8	-170.6	-145.2	25.5	0	0	0	116.7
696	E	40	Very low	47.9	Very low	179 Å²	179	123.2 Å²	123.2	84%	0.836	71%	0.707	S	S	*	*			trans	-121.8	108.3	167.9	-74	-164.7	140.3	0	0	111.4	C698	E696-C698 PolarHBondContact O-N 2.98Å
697	G	33.8	Very low	45.9	Very low	89 Å²	89	123.6 Å²	123.6	92%	0.918	72%	0.715	S	S	*	*			trans	-72.2	69.1	167.2	0	0	0	0	0	111.1
698	C	33.6	Very low	43.9	Very low	108 Å²	108	132.9 Å²	132.9	73%	0.73	75%	0.746	S	S	*	*			trans	-84.8	115.4	175.9	-157.7	0	0	0	0	110.5	E696 R700	E696-C698 PolarHBondContact O-N 2.98Å; C698-R700 PolarHBondContact O-N 3.47Å; C698-R700 VanDerWaalsContact O-N 3.12Å
699	I	34.9	Very low	42.2	Very low	154 Å²	154	137.9 Å²	137.9	79%	0.79	77%	0.773	S	S	*	*			trans	-60.2	110.8	178.3	-62.5	169.9	0	0	0	108.8	P701	I699-P701 WeakPolarHBondContact O-CD 3.15Å
700	R	39.7	Very low	40.7	Very low	231 Å²	231	140.4 Å²	140.4	87%	0.872	79%	0.788	S	S	*	*			trans	-66.9	124.5	168.5	-72.2	-172.7	176.4	-164.1	-1.5	108.6	C698 S702	C698-R700 PolarHBondContact O-N 3.47Å; C698-R700 VanDerWaalsContact O-N 3.12Å; R700-S702 PolarHBondContact O-N 3.12Å
701	P	37.6	Very low	39.7	Very low	119 Å²	119	148.7 Å²	148.7	77%	0.773	81%	0.807	S	S	*	*			trans	-65	135.3	174.5	27.1	-32.7	0	0	0	109.5	I699 G703	I699-P701 WeakPolarHBondContact O-CD 3.15Å; P701-G703 PolarHBondContact O-N 3.34Å; P701-G703 VanDerWaalsContact O-N 3.11Å
702	S	34.3	Very low	38.8	Very low	136 Å²	136	147.3 Å²	147.3	95%	0.951	81%	0.813	S	S	*	*			trans	-66.2	108.3	175.7	-170.3	0	0	0	0	109.8	R700	R700-S702 PolarHBondContact O-N 3.12Å
703	G	38.5	Very low	38.4	Very low	74 Å²	74	152 Å²	152	76%	0.763	82%	0.819	S	S	*	*			trans	-143	115.5	173.1	0	0	0	0	0	107.9	P701	P701-G703 PolarHBondContact O-N 3.34Å; P701-G703 VanDerWaalsContact O-N 3.11Å
704	G	35.1	Very low	38.2	Very low	70 Å²	70	155 Å²	155	72%	0.722	83%	0.827	S	S	*	*			trans	-97.9	-174	-163.7	0	0	0	0	0	115.9
705	F	35	Very low	38	Very low	202 Å²	202	149.5 Å²	149.5	89%	0.886	83%	0.827	S	S	*	*			trans	68.4	133.7	174.3	-87	-118.9	0	0	0	114.8
706	E	40.3	Very low	37.8	Very low	163 Å²	163	151.3 Å²	151.3	76%	0.762	84%	0.836	S	S	*	*			cis	-139.4	160.4	12.6	-75.8	-172	113.7	0	0	113.4
707	P	38.7	Very low	37.8	Very low	118 Å²	118	146.2 Å²	146.2	77%	0.766	83%	0.832	S	S	*	*			trans	-82.6	115.5	171.9	33	-32.1	0	0	0	112.5	Q709	P707-Q709 PolarHBondContact O-N 3.27Å
708	R	37.2	Very low	38	Very low	250 Å²	250	150.4 Å²	150.4	94%	0.943	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75.7	120.8	170.1	-88.5	-177.1	166.3	158.3	-1.4	111.6
709	Q	41.8	Very low	38.1	Very low	180 Å²	180	150.6 Å²	150.6	84%	0.841	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-69.2	156.5	174	-75.1	-170.6	6.3	0	0	113.1	P707	P707-Q709 PolarHBondContact O-N 3.27Å
710	P	37	Very low	38.4	Very low	125 Å²	125	148.5 Å²	148.5	81%	0.812	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-72.2	130.4	-176.1	29.4	-35.4	0	0	0	112.1	A712	P710-A712 PolarHBondContact O-N 2.97Å
711	R	38.2	Very low	38.6	Very low	253 Å²	253	145.1 Å²	145.1	96%	0.955	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-79.2	116.8	173.6	-83.9	-176.7	166.3	157.3	-4.4	111.2
712	A	39.1	Very low	38.6	Very low	92 Å²	92	144.5 Å²	144.5	76%	0.76	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-69	156.6	167.8	0	0	0	0	0	111.9	P710	P710-A712 PolarHBondContact O-N 2.97Å
713	R	40.9	Very low	38.9	Very low	243 Å²	243	142.4 Å²	142.4	92%	0.917	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-64.1	131.5	176.3	-67.4	173	170.9	171.7	-5	111.1	G715	R713-G715 PolarHBondContact O-N 3.08Å
714	P	41.7	Very low	38.9	Very low	133 Å²	133	147.6 Å²	147.6	86%	0.864	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-73.2	117.1	165.6	-14.4	30.2	0	0	0	110.2
715	G	40.2	Very low	39.1	Very low	68 Å²	68	148.3 Å²	148.3	70%	0.701	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-84.1	169.1	164.8	0	0	0	0	0	111.7	R713	R713-G715 PolarHBondContact O-N 3.08Å
716	L	37.4	Very low	39.2	Very low	191 Å²	191	145.5 Å²	145.5	100%	1	81%	0.809	S	S	*	*			trans	-44.4	133.8	174.7	-64.3	117.5	0	0	0	113.4
717	G	39	Very low	39.2	Very low	72 Å²	72	148 Å²	148	74%	0.742	81%	0.813	S	S	*	*			trans	-168.4	137.1	174.3	0	0	0	0	0	112
718	L	38.8	Very low	39.3	Very low	176 Å²	176	152.8 Å²	152.8	92%	0.921	82%	0.818	S	S	*	*			trans	-72.7	158.8	-174.7	-97.7	61	0	0	0	113.7
719	S	34.1	Very low	39.7	Very low	113 Å²	113	146.3 Å²	146.3	79%	0.79	81%	0.808	S	S	*	*			trans	-65.6	132.9	169.3	50.3	0	0	0	0	114.2
720	S	42	Very low	39.5	Very low	109 Å²	109	148.8 Å²	148.8	76%	0.762	81%	0.81	S	S	*	*				-175.3	124.7	123.1	58.8	0	0	0	0	112.4
721	D	43.6	Very low	39.7	Very low	160 Å²	160	148.5 Å²	148.5	86%	0.856	81%	0.81	S	S	*	*			trans	53.6	143.4	153.5	-68.3	-20.1	0	0	0	124.8
722	S	37.9	Very low	39.6	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	80%	0.8	S	S	*	*			trans	-59.1	167.3	165	52.7	0	0	0	0	113.1
723	S	40.7	Very low	40	Very low	91 Å²	91	141.7 Å²	141.7	64%	0.636	80%	0.804	S	S	*	*			cis	-163.6	158.1	30.9	46	0	0	0	0	111.4
724	E	38.7	Very low	39.8	Very low	183 Å²	183	134.5 Å²	134.5	86%	0.855	80%	0.797	S	S	*	*			trans	44.1	148.7	149	-67.8	172.6	113.8	0	0	121.4
725	S	39.3	Very low	39.6	Very low	86 Å²	86	133 Å²	133	60%	0.601	80%	0.795	S	S	*	*			cis	-163.5	167.3	-22.4	63	0	0	0	0	108.4
726	D	37	Very low	39.3	Very low	142 Å²	142	134.2 Å²	134.2	76%	0.759	80%	0.799	S	S	*	*			trans	76.1	143.5	151.1	-62.8	-48.9	0	0	0	124.7
727	Y	39.9	Very low	39.3	Very low	216 Å²	216	129.9 Å²	129.9	85%	0.847	79%	0.791	S	S	*	*			trans	89.7	83.5	150.4	-106.3	-98.3	0	0	0	123.3
728	Y	41.2	Very low	39.3	Very low	219 Å²	219	130.9 Å²	130.9	86%	0.859	79%	0.792	S	S	*	*			trans	-2.7	165.5	140.2	-73.2	-59	0	0	0	124.1
729	P	45.8	Very low	39.3	Very low	113 Å²	113	127.8 Å²	127.8	73%	0.734	79%	0.792	S	S	*	*			trans	-128.3	-177.2	-144.6	44.5	-28.7	0	0	0	115.4
730	R	38	Very low	39.4	Very low	233 Å²	233	125.7 Å²	125.7	88%	0.879	79%	0.788	S	S	*	*			trans	-165	148.1	157.9	-139.3	175.5	178.3	-166.8	-2	116.6
731	S	40.5	Very low	39.2	Very low	119 Å²	119	130 Å²	130	83%	0.832	80%	0.796	S	S	*	*			trans	60.5	151.4	157.8	50.3	0	0	0	0	118.8
732	G	36.8	Very low	38.8	Very low	71 Å²	71	126.4 Å²	126.4	73%	0.732	80%	0.796	S	S	*	*			cis	179.4	169.2	0.9	0	0	0	0	0	110.5
733	P	46.7	Very low	38.4	Very low	131 Å²	131	125.7 Å²	125.7	85%	0.851	80%	0.797	S	S	*	*			trans	-110.5	170.6	-158.4	40.8	-35.2	0	0	0	116
734	A	37.6	Very low	38.1	Very low	92 Å²	92	130.7 Å²	130.7	76%	0.76	81%	0.81	S	S	*	*				153.9	144.8	127.8	0	0	0	0	0	116
735	A	35.9	Very low	37.7	Very low	101 Å²	101	129 Å²	129	84%	0.835	81%	0.806	S	S	*	*			trans	62.1	151	141.4	0	0	0	0	0	121
736	A	35	Very low	37.6	Very low	93 Å²	93	133 Å²	133	77%	0.769	82%	0.819	S	S	*	*			cis	-167.1	175.2	-8.7	0	0	0	0	0	112
737	A	37.6	Very low	37.6	Very low	101 Å²	101	136.6 Å²	136.6	84%	0.835	82%	0.822	S	S	*	*			trans	76.4	149.9	155.5	0	0	0	0	0	120.2
738	A	37.6	Very low	37.2	Very low	93 Å²	93	132.6 Å²	132.6	77%	0.769	82%	0.822	S	S	*	*			cis	-171.5	157	-22.6	0	0	0	0	0	111.2
739	A	39	Very low	36.7	Very low	111 Å²	111	126.1 Å²	126.1	92%	0.917	82%	0.822	S	S	*	*			trans	60.7	150.5	173.6	0	0	0	0	0	116.5
740	G	36.7	Very low	36	Very low	69 Å²	69	124.3 Å²	124.3	71%	0.711	82%	0.824	S	S	*	*			cis	159.7	151.9	-0.5	0	0	0	0	0	108.2
741	E	37.6	Very low	36.1	Very low	200 Å²	200	120.7 Å²	120.7	94%	0.935	82%	0.821	S	S	*	*			cis	-154.7	175.9	-3	-63.8	-165.3	69.3	0	0	109.6
742	G	35.8	Very low	36.3	Very low	83 Å²	83	123.7 Å²	123.7	86%	0.856	82%	0.823	S	S	*	*			trans	100.3	117.6	168.1	0	0	0	0	0	116.2
743	A	28.8	Very low	36.7	Very low	92 Å²	92	124.6 Å²	124.6	76%	0.76	82%	0.823	S	S	*	*			trans	-132.3	128.6	-176.5	0	0	0	0	0	113
744	E	33.8	Very low	37.2	Very low	196 Å²	196	124.2 Å²	124.2	92%	0.916	81%	0.814	S	S	*	*			trans	-136.6	142.1	143.3	-82.3	-148.9	131.3	0	0	109.6
745	L	31	Very low	37.9	Very low	148 Å²	148	129 Å²	129	78%	0.775	81%	0.812	S	S	*	*			trans	-89.8	124.6	-177.2	-90.2	71.1	0	0	0	110.8
746	I	37.6	Very low	38.8	Very low	170 Å²	170	132.3 Å²	132.3	87%	0.872	81%	0.808	S	S	*	*			trans	-118.4	123.2	156.6	-61.6	-178.9	0	0	0	108.6
747	R	35.7	Very low	40.2	Very low	217 Å²	217	131.6 Å²	131.6	82%	0.819	80%	0.798	S	S	*	*			trans	-93.4	160.8	178.4	-91.5	-173.2	175.5	-154.4	0.3	111.1
748	P	32.8	Very low	41.6	Very low	132 Å²	132	130 Å²	130	86%	0.857	78%	0.784	S	S	*	*			trans	-82.3	138.7	-154.6	31.7	-36.1	0	0	0	113.9
749	G	29.8	Very low	42.9	Very low	83 Å²	83	131.7 Å²	131.7	86%	0.856	78%	0.778	S	S	*	*			trans	-133.5	136.6	169.6	0	0	0	0	0	111
750	G	32.3	Very low	44.2	Very low	75 Å²	75	134.1 Å²	134.1	77%	0.773	77%	0.768	S	S	*	*			trans	142.6	45.7	177.1	0	0	0	0	0	116.6
751	L	39.3	Very low	45.6	Very low	157 Å²	157	133.7 Å²	133.7	82%	0.822	76%	0.757	S	S	*	*			trans	-135.7	12.7	179	-79.7	176.1	0	0	0	115.5
752	Q	44.5	Very low	47	Very low	183 Å²	183	127 Å²	127	86%	0.855	74%	0.736	S	S	*	*	S	Bend	trans	-94.4	-20.8	-178.9	-77.8	-178.6	-28.3	0	0	114.9
753	A	46.4	Very low	48.5	Very low	90 Å²	90	130 Å²	130	74%	0.744	73%	0.726	S	S	*	*	H	α-helix	trans	-72.8	-33.2	-175.1	0	0	0	0	0	114.5
754	D	55.5	Low	50	Low	123 Å²	123	128.6 Å²	128.6	66%	0.658	71%	0.71	S	S	*	*	H	α-helix	trans	-76.8	-22.2	-175.8	-85.2	-35.5	0	0	0	114.4	F756 S757 A758	D754-F756 VanDerWaalsContact C-N 3.34Å; D754-F756 PolarHBondContact O-N 3.49Å; D754-S757 PolarHBondContact O-N 3.34Å; D754-A758 WeakPolarHBondContact O-CB 3.28Å; D754-A758 PolarHBondContact O-N 2.99Å
755	R	52.2	Low	51.6	Low	192 Å²	192	122 Å²	122	73%	0.725	69%	0.689	S	S	*	*	H	α-helix	trans	-62.7	-40.4	-176.5	-121.7	-179.1	179.8	-160.6	-2.4	111.8	M759	R755-M759 VanDerWaalsContact O-CB 3.32Å; R755-M759 WeakPolarHBondContact O-CB 3.39Å; R755-M759 PolarHBondContact O-N 3.38Å
756	F	55.9	Low	53.4	Low	170 Å²	170	120.1 Å²	120.1	75%	0.746	68%	0.677	S	S	*	*	H	α-helix	trans	-70.8	-38.5	180	-127.4	-86.1	0	0	0	112.2	D754 K760	D754-F756 VanDerWaalsContact C-N 3.34Å; D754-F756 PolarHBondContact O-N 3.49Å; F756-K760 WeakPolarHBondContact O-CB 3.44Å; F756-K760 PolarHBondContact O-N 3.3Å
757	S	64.5	Low	54.5	Low	79 Å²	79	118.2 Å²	118.2	55%	0.552	66%	0.659	S	S	*	*	H	α-helix	trans	-66.6	-46.4	176.9	-166.6	0	0	0	0	111.4	D754 M759 K760 A761	D754-S757 PolarHBondContact O-N 3.34Å; S757-M759 PolarHBondContact O-N 3.38Å; S757-K760 PolarHBondContact O-N 3.12Å; S757-A761 WeakPolarHBondContact O-CB 3.31Å; S757-A761 PolarHBondContact O-N 3.24Å
758	A	66	Low	55.6	Low	66 Å²	66	112.8 Å²	112.8	55%	0.545	65%	0.647	S	S	.	*	H	α-helix	trans	-61.6	-41.4	175.6	0	0	0	0	0	112.6	D754 A761 A762	D754-A758 WeakPolarHBondContact O-CB 3.28Å; D754-A758 PolarHBondContact O-N 2.99Å; A758-A761 PolarHBondContact O-N 3.42Å; A758-A762 WeakPolarHBondContact O-CB 3.4Å; A758-A762 PolarHBondContact O-N 3.39Å
759	M	65.2	Low	56.9	Low	129 Å²	129	117.2 Å²	117.2	64%	0.635	65%	0.646	S	S	*	*	H	α-helix	trans	-65.9	-42.2	177.2	-167.7	-178.4	-68.1	0	0	111.9	R755 S757 A762 F763	R755-M759 VanDerWaalsContact O-CB 3.32Å; R755-M759 WeakPolarHBondContact O-CB 3.39Å; R755-M759 PolarHBondContact O-N 3.38Å; S757-M759 PolarHBondContact O-N 3.38Å; M759-A762 PolarHBondContact O-N 2.93Å; M759-F763 WeakPolarHBondContact O-CB 3.22Å; M759-F763 PolarHBondContact O-N 3.31Å
760	K	65.7	Low	57.8	Low	163 Å²	163	122.7 Å²	122.7	71%	0.709	64%	0.641	S	S	*	*	H	α-helix	trans	-64.8	-38.7	175.8	-168.8	174	-176.1	176.6	0	112.3	F756 S757 S764	F756-K760 WeakPolarHBondContact O-CB 3.44Å; F756-K760 PolarHBondContact O-N 3.3Å; S757-K760 PolarHBondContact O-N 3.12Å; K760-S764 VanDerWaalsContact O-CB 3.32Å; K760-S764 WeakPolarHBondContact O-CB 3.35Å; K760-S764 PolarHBondContact O-N 3.15Å
761	A	67.8	Low	58.1	Low	60 Å²	60	126 Å²	126	50%	0.496	64%	0.635	S	S	.	*	H	α-helix	trans	-66.2	-43.8	174.6	0	0	0	0	0	112.3	S757 A758 S764 A765	S757-A761 WeakPolarHBondContact O-CB 3.31Å; S757-A761 PolarHBondContact O-N 3.24Å; A758-A761 PolarHBondContact O-N 3.42Å; A761-S764 PolarHBondContact O-N 3.45Å; A761-A765 WeakPolarHBondContact O-CB 3.37Å; A761-A765 PolarHBondContact O-N 3.34Å
762	A	66.3	Low	58.3	Low	59 Å²	59	124.4 Å²	124.4	49%	0.488	63%	0.631	S	S	.	*	H	α-helix	trans	-63	-44.4	176	0	0	0	0	0	112.1	A758 M759 A765 Q766	A758-A762 WeakPolarHBondContact O-CB 3.4Å; A758-A762 PolarHBondContact O-N 3.39Å; M759-A762 PolarHBondContact O-N 2.93Å; A762-A765 PolarHBondContact O-N 3.22Å; A762-Q766 WeakPolarHBondContact O-CB 3.32Å; A762-Q766 PolarHBondContact O-N 3.5Å
763	F	66.6	Low	57.9	Low	147 Å²	147	120.8 Å²	120.8	65%	0.645	63%	0.626	S	S	*	*	H	α-helix	trans	-64.1	-42.9	177.6	-165	-91.8	0	0	0	111.9	M759 Q766 Y767	M759-F763 WeakPolarHBondContact O-CB 3.22Å; M759-F763 PolarHBondContact O-N 3.31Å; F763-Q766 PolarHBondContact O-N 3.41Å; F763-Y767 WeakPolarHBondContact O-CB 3.45Å; F763-Y767 PolarHBondContact O-N 3.47Å
764	S	61.9	Low	57.3	Low	62 Å²	62	121.8 Å²	121.8	43%	0.434	63%	0.634	S	S	.	*	H	α-helix	trans	-59.8	-46.1	174.3	-179.1	0	0	0	0	112.4	K760 A761 Q766 Y767 N768	K760-S764 VanDerWaalsContact O-CB 3.32Å; K760-S764 WeakPolarHBondContact O-CB 3.35Å; K760-S764 PolarHBondContact O-N 3.15Å; A761-S764 PolarHBondContact O-N 3.45Å; S764-Q766 VanDerWaalsContact C-N 3.28Å; S764-Q766 PolarHBondContact O-N 3.4Å; S764-Y767 PolarHBondContact O-N 3.47Å; S764-N768 WeakPolarHBondContact O-CB 3.5Å; S764-N768 PolarHBondContact O-N 2.98Å
765	A	67.3	Low	56.2	Low	57 Å²	57	118.5 Å²	118.5	47%	0.471	63%	0.629	S	S	.	*	H	α-helix	trans	-65	-29.6	176.7	0	0	0	0	0	113.3	A761 A762 R769	A761-A765 WeakPolarHBondContact O-CB 3.37Å; A761-A765 PolarHBondContact O-N 3.34Å; A762-A765 PolarHBondContact O-N 3.22Å; A765-R769 WeakPolarHBondContact O-CG 3.31Å
766	Q	68.9	Low	55.4	Low	109 Å²	109	116.3 Å²	116.3	51%	0.509	64%	0.637	S	S	.	*	H	α-helix	trans	-81.6	-36.8	177.4	-160.1	173.4	18.9	0	0	112.3	A762 F763 S764 R769 R770	A762-Q766 WeakPolarHBondContact O-CB 3.32Å; A762-Q766 PolarHBondContact O-N 3.5Å; F763-Q766 PolarHBondContact O-N 3.41Å; S764-Q766 VanDerWaalsContact C-N 3.28Å; S764-Q766 PolarHBondContact O-N 3.4Å; Q766-R769 PolarHBondContact O-N 3.38Å; Q766-R770 PolarHBondContact O-N 3.38Å
767	Y	59.6	Low	54.5	Low	129 Å²	129	115.6 Å²	115.6	51%	0.506	64%	0.636	S	S	.	*	H	α-helix	trans	-62.4	-51.5	173.9	-174.4	-93.9	0	0	0	111	F763 S764 R769 R770 F771	F763-Y767 WeakPolarHBondContact O-CB 3.45Å; F763-Y767 PolarHBondContact O-N 3.47Å; S764-Y767 PolarHBondContact O-N 3.47Å; Y767-R769 PolarHBondContact O-N 2.97Å; Y767-R770 PolarHBondContact O-N 3.25Å; Y767-F771 HydrophobicContact CD2-CD2 4.11Å; Y767-F771 HydrophobicContact CE1-CB 4.37Å; Y767-F771 AromaticContact CE2-CD2 3.94Å; Y767-F771 HydrophobicContact CE2-CD2 3.94Å; Y767-F771 HydrophobicContact CE2-CG 4.32Å; Y767-F771 PolarHBondContact O-N 3.44Å
768	N	59.8	Low	53	Low	104 Å²	104	117.4 Å²	117.4	56%	0.556	66%	0.655	S	S	*	*	H	α-helix	trans	-64.1	-12.3	177.7	-68.6	-11.2	0	0	0	114.1	S764	S764-N768 WeakPolarHBondContact O-CB 3.5Å; S764-N768 PolarHBondContact O-N 2.98Å
769	R	59.8	Low	51.6	Low	225 Å²	225	117.9 Å²	117.9	85%	0.849	66%	0.655	S	S	*	*	H	α-helix	trans	-95.3	-17.4	172.6	-84.2	-177.9	167.1	-172.5	-2.9	114.3	A765 Q766 Y767	A765-R769 WeakPolarHBondContact O-CG 3.31Å; Q766-R769 PolarHBondContact O-N 3.38Å; Y767-R769 PolarHBondContact O-N 2.97Å
770	R	48.2	Very low	50.3	Low	197 Å²	197	121.2 Å²	121.2	74%	0.743	66%	0.66	S	S	*	*	H	α-helix	trans	-111.5	-23	-176.9	-99	177.8	167.6	151	-3.8	114.2	Q766 Y767	Q766-R770 PolarHBondContact O-N 3.38Å; Y767-R770 PolarHBondContact O-N 3.25Å
771	F	39.1	Very low	49	Very low	146 Å²	146	125.3 Å²	125.3	64%	0.64	67%	0.673	S	S	*	*			trans	-119.5	89.8	176	-76.5	-86.8	0	0	0	110	Y767	Y767-F771 HydrophobicContact CD2-CD2 4.11Å; Y767-F771 HydrophobicContact CE1-CB 4.37Å; Y767-F771 AromaticContact CE2-CD2 3.94Å; Y767-F771 HydrophobicContact CE2-CD2 3.94Å; Y767-F771 HydrophobicContact CE2-CG 4.32Å; Y767-F771 PolarHBondContact O-N 3.44Å
772	V	42.6	Very low	47.8	Very low	123 Å²	123	128.8 Å²	128.8	75%	0.745	69%	0.689	S	S	*	*			trans	-112.6	130.3	162.9	179.3	0	0	0	0	107
773	S	36.8	Very low	46.5	Very low	107 Å²	107	134.3 Å²	134.3	75%	0.748	70%	0.704	S	S	*	*			trans	-62.3	140.4	-178.1	-169.7	0	0	0	0	111.3	G775	S773-G775 PolarHBondContact O-N 3.24Å
774	A	34.7	Very low	44.9	Very low	111 Å²	111	133.5 Å²	133.5	92%	0.917	71%	0.713	S	S	*	*	S	Bend	trans	-74.2	76.1	175.2	0	0	0	0	0	110.7
775	G	32.1	Very low	44	Very low	54 Å²	54	138.8 Å²	138.8	56%	0.557	73%	0.731	S	S	*	*	S	Bend	trans	-166.4	113.9	178	0	0	0	0	0	111.7	S773	S773-G775 PolarHBondContact O-N 3.24Å
776	V	35.3	Very low	42.7	Very low	145 Å²	145	144.7 Å²	144.7	88%	0.879	75%	0.751	S	S	*	*	S	Bend	trans	67	83.6	174	-164.3	0	0	0	0	115.4
777	E	35.6	Very low	41	Very low	156 Å²	156	147.9 Å²	147.9	73%	0.729	77%	0.771	S	S	*	*			trans	176.2	75.7	130.9	-97.6	-172.3	177.7	0	0	111.1	S779	E777-S779 VanDerWaalsContact C-N 3.26Å; E777-S779 PolarHBondContact O-N 3.05Å
778	A	34	Very low	40.1	Very low	116 Å²	116	151.2 Å²	151.2	96%	0.959	79%	0.788	S	S	*	*			trans	-83.7	60.4	175.2	0	0	0	0	0	112.3
779	S	36.6	Very low	39	Very low	77 Å²	77	151.6 Å²	151.6	54%	0.538	80%	0.799	S	S	.	*			trans	-160.3	150.6	164.8	72.7	0	0	0	0	110.2	E777	E777-S779 VanDerWaalsContact C-N 3.26Å; E777-S779 PolarHBondContact O-N 3.05Å
780	R	37.3	Very low	38	Very low	199 Å²	199	146.6 Å²	146.6	75%	0.751	80%	0.798	S	S	*	*			trans	71.8	85.1	-174.4	-41.4	168.1	-157.1	174.1	9.1	113.9
781	Y	39.1	Very low	37.4	Very low	248 Å²	248	144.5 Å²	144.5	97%	0.973	80%	0.802	S	S	*	*			trans	-175	63.2	138.5	-89	-56.4	0	0	0	109.4
782	T	42	Very low	37.5	Very low	134 Å²	134	143.5 Å²	143.5	82%	0.822	81%	0.808	S	S	*	*			trans	-92.7	133.2	168.4	46.7	0	0	0	0	110
783	H	40.1	Very low	37.3	Very low	175 Å²	175	143.2 Å²	143.2	81%	0.81	81%	0.807	S	S	*	*			trans	-48.2	127.4	-175.6	-116.2	-95.7	0	0	0	114.4	E785	H783-E785 PolarHBondContact O-N 2.87Å
784	P	32.8	Very low	37.4	Very low	130 Å²	130	145.8 Å²	145.8	84%	0.844	81%	0.812	S	S	*	*	S	Bend	trans	-99.9	68.2	175.9	38	-33	0	0	0	112.5
785	E	42.1	Very low	37.4	Very low	172 Å²	172	150.6 Å²	150.6	80%	0.804	81%	0.806	S	S	*	*	S	Bend	trans	-147.6	13.4	174.5	-138.8	170.2	-161.2	0	0	116.6	H783	H783-E785 PolarHBondContact O-N 2.87Å
786	M	40.3	Very low	37.9	Very low	182 Å²	182	152.5 Å²	152.5	90%	0.897	81%	0.809	S	S	*	*	S	Bend	trans	-126.3	23.1	-176.2	-76.2	-161	69.9	0	0	116.1
787	L	34.1	Very low	38.1	Very low	175 Å²	175	152.1 Å²	152.1	92%	0.916	80%	0.797	S	S	*	*			trans	-132.6	86	-178.8	-81.3	166.5	0	0	0	114.3
788	K	39.2	Very low	38.2	Very low	199 Å²	199	152.1 Å²	152.1	87%	0.865	80%	0.802	S	S	*	*			trans	-149.5	94.1	153.9	-71.8	-168.5	-178.3	175.6	0	107.8
789	S	36.9	Very low	38.4	Very low	112 Å²	112	150 Å²	150	78%	0.783	78%	0.784	S	S	*	*				89.4	101	77.7	68	0	0	0	0	114.6
790	S	38.9	Very low	38.5	Very low	121 Å²	121	153.4 Å²	153.4	85%	0.846	80%	0.796	S	S	*	*			trans	-163.9	134.5	142.2	40.3	0	0	0	0	112.4
791	N	36.6	Very low	38.5	Very low	152 Å²	152	148.6 Å²	148.6	81%	0.813	79%	0.793	S	S	*	*			trans	-54.3	156	-177.1	-48.6	-33.9	0	0	0	113.4
792	T	39.4	Very low	38.3	Very low	126 Å²	126	146 Å²	146	77%	0.773	79%	0.788	S	S	*	*				-173	135.3	69.3	36.1	0	0	0	0	114.8
793	T	38.9	Very low	38	Very low	117 Å²	117	146.4 Å²	146.4	72%	0.718	78%	0.783	S	S	*	*			trans	36.9	122.8	145.2	33.2	0	0	0	0	124.7
794	D	39.1	Very low	37.8	Very low	160 Å²	160	143.5 Å²	143.5	86%	0.856	78%	0.777	S	S	*	*			trans	99.1	146.2	130.4	-65.2	-28.7	0	0	0	123.9
795	R	34.8	Very low	37.8	Very low	213 Å²	213	145.8 Å²	145.8	80%	0.804	78%	0.777	S	S	*	*			trans	-122.9	-167.9	-161.6	-141.8	-174.4	167.1	-163.9	-1.6	106.2
796	P	42.7	Very low	37.5	Very low	93 Å²	93	142.3 Å²	142.3	60%	0.604	77%	0.771	S	S	*	*			cis	-138	164	-7.2	47.2	-28.6	0	0	0	115.2
797	Q	39.9	Very low	37.4	Very low	137 Å²	137	138.3 Å²	138.3	64%	0.64	76%	0.761	S	S	*	*				99.8	141.7	99.2	-99	174.9	1.1	0	0	119.1
798	L	37.4	Very low	37.6	Very low	157 Å²	157	137.2 Å²	137.2	82%	0.822	76%	0.756	S	S	*	*			trans	68.6	154.5	153.4	-60.7	158.6	0	0	0	118.3
799	A	38.1	Very low	37.4	Very low	72 Å²	72	135.3 Å²	135.3	60%	0.595	76%	0.755	S	S	*	*			cis	-170.3	-178.8	-25.8	0	0	0	0	0	109.9
800	D	38.9	Very low	37.5	Very low	147 Å²	147	138.8 Å²	138.8	79%	0.786	76%	0.759	S	S	*	*			trans	81.4	92.8	154.9	-59	-17.4	0	0	0	123.1
801	S	37.1	Very low	37.5	Very low	98 Å²	98	141.7 Å²	141.7	69%	0.685	76%	0.759	S	S	*	*				50.4	128.9	114.3	62.7	0	0	0	0	125.4
802	F	34.4	Very low	37.7	Very low	195 Å²	195	139.3 Å²	139.3	86%	0.855	75%	0.754	S	S	*	*			trans	84.9	137.3	135	-94.7	-119.1	0	0	0	123.5
803	I	36.7	Very low	37.6	Very low	141 Å²	141	142 Å²	142	72%	0.723	76%	0.758	S	S	*	*			trans	92	98.9	149.6	-65.2	162.8	0	0	0	121.3
804	V	34.7	Very low	37.7	Very low	114 Å²	114	142.2 Å²	142.2	69%	0.691	76%	0.763	S	S	*	*				47.5	123.6	117.1	-173	0	0	0	0	122
805	Q	33.8	Very low	38.2	Very low	178 Å²	178	139.7 Å²	139.7	83%	0.832	76%	0.755	S	S	*	*			trans	86.1	134.4	145.8	-88	167.4	-2.8	0	0	124.6
806	S	35.9	Very low	38.4	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	75%	0.754	S	S	*	*			trans	91.1	106	140.1	-63.2	0	0	0	0	122.4
807	S	36.9	Very low	38.3	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	76%	0.761	S	S	*	*			trans	52.7	120.5	131.8	62.2	0	0	0	0	122.6
808	N	38.3	Very low	38.3	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	77%	0.765	S	S	*	*				-176.3	121.2	123	-81.7	-24.7	0	0	0	106.7
809	L	36.4	Very low	38.4	Very low	159 Å²	159	141 Å²	141	83%	0.832	76%	0.762	S	S	*	*				63.7	103.4	64.7	-86.7	168.1	0	0	0	115.5
810	E	39.2	Very low	38.3	Very low	185 Å²	185	142.7 Å²	142.7	86%	0.864	77%	0.769	S	S	*	*			trans	165	104.9	141.8	-92.7	172.1	-171.8	0	0	106.9
811	E	38	Very low	38.5	Very low	182 Å²	182	141.7 Å²	141.7	85%	0.85	77%	0.774	S	S	*	*				85.1	105.6	65.5	-161.6	176	-128.3	0	0	114.3
812	S	40.6	Very low	38.4	Very low	103 Å²	103	146.2 Å²	146.2	72%	0.72	78%	0.784	S	S	*	*			trans	-179.1	107.7	142.5	-84.6	0	0	0	0	114.5
813	Q	38	Very low	38.9	Very low	183 Å²	183	144.1 Å²	144.1	86%	0.855	79%	0.787	S	S	*	*				48.4	145.7	129.8	-58.4	-178.9	20.9	0	0	122.4
814	C	40.4	Very low	39.1	Very low	121 Å²	121	146.7 Å²	146.7	82%	0.818	79%	0.793	S	S	*	*			cis	-168.1	173.2	-19.4	-114.1	0	0	0	0	109.9
815	P	49.4	Very low	39.4	Very low	107 Å²	107	147 Å²	147	70%	0.695	80%	0.797	S	S	*	*			trans	-128.8	-168.6	-154.2	45.3	-32.6	0	0	0	115.9
816	Q	40.4	Very low	39.9	Very low	166 Å²	166	147.8 Å²	147.8	78%	0.776	80%	0.801	S	S	*	*			trans	-164.2	118.7	149.4	-104.8	154.7	41.9	0	0	111.4
817	Q	39.3	Very low	39.9	Very low	162 Å²	162	150.7 Å²	150.7	76%	0.757	81%	0.808	S	S	*	*				76.6	139	103	-70.1	-177	-0.2	0	0	115
818	L	40.4	Very low	40.1	Very low	137 Å²	137	152.9 Å²	152.9	72%	0.717	82%	0.817	S	S	*	*			cis	-137.8	141.6	18.1	-83.5	98	0	0	0	112.1
819	Q	39.4	Very low	40.2	Very low	163 Å²	163	153.8 Å²	153.8	76%	0.762	82%	0.817	S	S	*	*				47.9	121	101.1	-58.5	-178.4	5.2	0	0	116.2
820	S	35.9	Very low	40.4	Very low	106 Å²	106	153 Å²	153	74%	0.741	82%	0.819	S	S	*	*			cis	106.7	117.1	27	70.3	0	0	0	0	113.9
821	S	43.2	Very low	40.4	Very low	126 Å²	126	151.6 Å²	151.6	88%	0.881	82%	0.817	S	S	*	*			trans	-168	139.3	150.7	44.4	0	0	0	0	112.6
822	Q	36.2	Very low	40.4	Very low	194 Å²	194	147.8 Å²	147.8	91%	0.907	81%	0.81	S	S	*	*			trans	-102.4	145.4	173.7	-66.8	176.7	-19.7	0	0	110.3
823	V	44.6	Very low	40.5	Very low	151 Å²	151	153 Å²	153	92%	0.915	82%	0.82	S	S	*	*			trans	-139.8	145.2	157.9	-176.2	0	0	0	0	110.4
824	K	40.7	Very low	40.6	Very low	195 Å²	195	153.4 Å²	153.4	85%	0.848	82%	0.822	S	S	*	*			trans	-79.9	163.4	-175.6	-78.3	176.1	175.7	176.4	0	113.7
825	P	41.2	Very low	40.7	Very low	120 Å²	120	157.7 Å²	157.7	78%	0.779	83%	0.827	S	S	*	*			trans	-91.6	157.3	-173.7	36.7	-36.5	0	0	0	114.6
826	Q	43.2	Very low	40.5	Very low	195 Å²	195	163.9 Å²	163.9	91%	0.911	84%	0.836	S	S	*	*			trans	-144.7	152.8	158.5	-77.5	-165.6	-22.5	0	0	111.9
827	N	36.9	Very low	40.4	Very low	159 Å²	159	160.6 Å²	160.6	85%	0.85	83%	0.832	S	S	*	*			trans	-24.8	144.7	175.2	-74.8	-27	0	0	0	118.8
828	V	41.5	Very low	40.4	Very low	144 Å²	144	163.3 Å²	163.3	87%	0.873	84%	0.835	S	S	*	*				-159	148.5	107.5	142.4	0	0	0	0	109.8
829	Q	39.4	Very low	40.7	Very low	172 Å²	172	168.5 Å²	168.5	80%	0.804	85%	0.845	S	S	*	*			trans	-74.7	151.8	-175.1	-63	150.9	-40.8	0	0	113.1
830	T	41.1	Very low	40.7	Very low	141 Å²	141	171.3 Å²	171.3	87%	0.865	87%	0.866	S	S	*	*			trans	-164	157.9	132.8	13.7	0	0	0	0	111.1
831	D	39.4	Very low	40.9	Very low	157 Å²	157	174.6 Å²	174.6	84%	0.84	87%	0.872	S	S	*	*			trans	-68.3	149.8	-150.6	-73.2	-66.9	0	0	0	119.5
832	S	38.3	Very low	40.8	Very low	101 Å²	101	177.1 Å²	177.1	71%	0.706	87%	0.871	S	S	*	*			trans	-65.7	145.3	170.3	58.1	0	0	0	0	114.6
833	K	41.1	Very low	41.1	Very low	212 Å²	212	176.2 Å²	176.2	92%	0.922	87%	0.869	S	S	*	*			trans	-156.9	88.6	136.4	-112.7	162.9	-170.6	168.8	0	111.4
834	Q	41	Very low	40.9	Very low	193 Å²	193	177.6 Å²	177.6	90%	0.902	87%	0.867	S	S	*	*			trans	-65.6	137.7	162.8	-74.5	176.9	-35.6	0	0	109.7
835	K	41.9	Very low	40.9	Very low	210 Å²	210	176.6 Å²	176.6	91%	0.913	87%	0.868	S	S	*	*			trans	-121.1	122.5	152.1	-91	-171.8	171.3	-175.3	0	108
836	R	44.7	Very low	40.8	Very low	237 Å²	237	180.3 Å²	180.3	89%	0.894	87%	0.874	S	S	*	*			trans	-64.1	155.7	172.3	-76.6	171.5	146.3	-177.6	-11.6	110.8
837	S	39.5	Very low	40.7	Very low	98 Å²	98	179.3 Å²	179.3	69%	0.685	87%	0.871	S	S	*	*			trans	-56.3	158.8	158.9	40.9	0	0	0	0	111
838	R	38.8	Very low	41	Very low	218 Å²	218	180.8 Å²	180.8	82%	0.823	87%	0.873	S	S	*	*	S	Bend	trans	-120.9	34	178.3	-165.6	-156.3	153.5	106.6	-3.3	110.9
839	W	46.4	Very low	40.9	Very low	246 Å²	246	183.9 Å²	183.9	93%	0.932	87%	0.873	S	S	*	*			trans	-142.4	44.7	175.2	-59.3	107.1	0	0	0	108.5
840	D	39.6	Very low	41	Very low	222 Å²	222	185 Å²	185	100%	1.187	88%	0.879	S	S	*	*				-99.4	0	121.2	-73.2	-52.3	0	0	0	105.7

Retrieved 840 of 840 residues in 128.1 ms (Link to these results)

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