A0A096MDI0_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A096MDI0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 894 aa.

						>A0A096MDI0_POEFO|A0A096MDI0
MLIAAVGSSAPTGKKRRRGKKHRRVRADGSRPEEGSDFLKTDGTPLQIPLQNDAQKDQLPPEGPTNSTNGEGPEGPEPGTIFPERSIQTPCLQGPQQSLTSQIPNQTTQSPVPQSPHHINQSPHSQSPHQRVQSPRHESPHQNTQSPVPQSPHQTTQSPVPQNPHHINKSPHSQSPHQRVQSPRHESPHQNTQSPSSHSPNQITQPLPPQCPHKITKAVHQRSINQMAIFTPEPVETIMPPDITLNNSQCPSQSSSAALESFGQSLRKSPPDVNNITQNASAHGFTEFFQPPTSPYSVTSETSAVFAQNPVTPPPTTMLSPTHSDPFLLTSMTFTSSASSHSLCSSSSLLCSLDSPFSFPPMTSSAPSHLAMPPPRQSPPPVELTPPPAQLLGSDDEEQEDPSDYCKGGYYPVKIGDLFNGRYHVVRKLGWGHFSTVWLCWDLQKKRFVAMKVVKSAPHYTETALDEIKLLRCVRDSDPSDSYRETIVQLIDDFKISGINGVHVCMVLEVLGHQLLKWIIKSNYMGLPLVCVKTIIRQVLQGLDYLHTKCKIIHTDIKPENILLVVDDVYVRRLAAEATIWQRAGAPPPSGSSVSTAPRDEEMGKLSKNKKKKLKRKAKRQQKLLEERLMDIQRMDEEEGLQQPDDADPTSNHKPSPDSSSSWLDDRFSDPAPGRFSSPASGLSGLSSSVMSATSESALSTQSGYSSGRDGFSSSDFVLNPLDPQNADRLRVKIADLGNACWVHKHFTEDIQTRQYRALEVLIGAEYGPPADIWSTACMAFELATGDYLFEPHSGEDYTRDEDHIAHIMELLGPLPLPFALSGRYSREYFTRRGELRHISNLKPWGLFEVLLEKYEWPLDQAAQFSDFLLTMLEMEPDRRATAAQCLQHVWLHT
					

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	26.8	Very low	29.1	Very low	132 Å²	132	53.5 Å²	53.5	65%	0.65	35%	0.345	S	S	*	.				0	120.6	0	-155.3	-163.3	-157	0	0	107.7	D395	M1-D395 PolarHBondContact N-OD1 3.11Å
2	L	27.5	Very low	29	Very low	41 Å²	41	58.8 Å²	58.8	22%	0.215	38%	0.376	C	S	.	.			trans	57.8	135.9	-167.4	-63.8	101.4	0	0	0	116	V6 Q514	L2-V6 HydrophobicContact CD2-CB 3.74Å; L2-V6 VanDerWaalsContact CD2-O 3.25Å; L2-V6 WeakPolarHBondContact CD2-O 3.49Å; L2-Q514 PolarHBondContact O-NE2 3.45Å; L2-Q514 VanDerWaalsContact O-NE2 3.09Å; L2-Q514 PolarHBondContact O-OE1 2.87Å
3	I	25.6	Very low	28.9	Very low	31 Å²	31	60.2 Å²	60.2	16%	0.159	41%	0.407	C	S	.	.	S	Bend	trans	-115.7	133.4	150	-66	173.9	0	0	0	105.4	G430	I3-G430 WeakPolarHBondContact O-CA 3.47Å
4	A	28.2	Very low	28.7	Very low	15 Å²	15	68.6 Å²	68.6	12%	0.124	43%	0.434	C	S	.	.	S	Bend	trans	69.9	104.8	-175.3	0	0	0	0	0	115	V6 V437 Q514	A4-V6 PolarHBondContact O-N 3.27Å; A4-V6 VanDerWaalsContact O-N 3.09Å; A4-V437 HydrophobicContact CB-CB 4.39Å; A4-V437 HydrophobicContact CB-CG1 4.42Å; A4-V437 HydrophobicContact CB-CG2 4.16Å; A4-Q514 VanDerWaalsContact N-OE1 3.13Å
5	A	29.2	Very low	28.7	Very low	14 Å²	14	77.7 Å²	77.7	12%	0.116	46%	0.464	C	S	.	.				47.1	56.3	124.6	0	0	0	0	0	116.3	K452 L563 A735 D736	A5-K452 PolarHBondContact O-NZ 3.25Å; A5-L563 HydrophobicContact CB-CD1 4.43Å; A5-A735 HydrophobicContact CB-CB 4.08Å; A5-D736 HydrophobicContact CB-CB 3.9Å
6	V	35.5	Very low	28.7	Very low	7 Å²	7	87.9 Å²	87.9	4%	0.042	49%	0.492	C	S	.	.			trans	-141.9	107.6	166.7	-176.7	0	0	0	0	109.3	L2 A4 F434 S435 D736	L2-V6 HydrophobicContact CD2-CB 3.74Å; L2-V6 VanDerWaalsContact CD2-O 3.25Å; L2-V6 WeakPolarHBondContact CD2-O 3.49Å; A4-V6 PolarHBondContact O-N 3.27Å; A4-V6 VanDerWaalsContact O-N 3.09Å; V6-F434 HydrophobicContact CG1-CB 3.88Å; V6-F434 HydrophobicContact CG1-CD2 3.67Å; V6-F434 HydrophobicContact CG1-CG 4.08Å; V6-S435 WeakPolarHBondContact CG2-OG 3.26Å; V6-D736 VanDerWaalsContact C-OD2 3.28Å; V6-D736 WeakPolarHBondContact CA-OD2 3.28Å; V6-D736 PolarHBondContact N-OD2 3.36Å
7	G	30.2	Very low	28.6	Very low	3 Å²	3	97.5 Å²	97.5	3%	0.031	52%	0.519	C	S	.	.			trans	-55.3	147.3	-176.7	0	0	0	0	0	113.5	F434 D736	G7-F434 WeakPolarHBondContact O-CE2 3.45Å; G7-D736 PolarHBondContact N-OD2 2.93Å
8	S	28.3	Very low	28.7	Very low	77 Å²	77	106.2 Å²	106.2	54%	0.538	54%	0.543	S	S	.	.			trans	-122.8	86.1	-175.3	-168.4	0	0	0	0	110.4
9	S	29.5	Very low	28.6	Very low	70 Å²	70	104.8 Å²	104.8	49%	0.49	56%	0.558	S	S	.	*			trans	-142.5	106.8	176.8	48.3	0	0	0	0	110.5
10	A	27.7	Very low	28.6	Very low	78 Å²	78	110.3 Å²	110.3	65%	0.645	58%	0.577	S	S	*	*			trans	-153	123.4	172.4	0	0	0	0	0	111	T12	A10-T12 PolarHBondContact O-N 2.73Å
11	P	31.2	Very low	28.6	Very low	121 Å²	121	113.8 Å²	113.8	79%	0.786	59%	0.587	S	S	*	*			trans	-76.8	124.3	-174.4	28.7	-34.4	0	0	0	112.8	G13	P11-G13 PolarHBondContact O-N 3.03Å
12	T	28	Very low	28.6	Very low	117 Å²	117	116.2 Å²	116.2	72%	0.718	60%	0.597	S	S	*	*			trans	-80.5	81.4	-175	58.1	0	0	0	0	113.7	A10 K14	A10-T12 PolarHBondContact O-N 2.73Å; T12-K14 VanDerWaalsContact C-N 3.27Å; T12-K14 PolarHBondContact O-N 3.33Å
13	G	27.4	Very low	28.5	Very low	76 Å²	76	125.8 Å²	125.8	78%	0.784	63%	0.63	S	S	*	*			trans	-66.8	63	177.7	0	0	0	0	0	116.1	P11 K15	P11-G13 PolarHBondContact O-N 3.03Å; G13-K15 PolarHBondContact O-N 2.87Å
14	K	27.3	Very low	28.5	Very low	178 Å²	178	135.6 Å²	135.6	77%	0.774	67%	0.665	S	S	*	*			trans	-71.2	85	-177.5	-72.9	178.9	178.8	169.8	0	113.3	T12 R16	T12-K14 VanDerWaalsContact C-N 3.27Å; T12-K14 PolarHBondContact O-N 3.33Å; K14-R16 PolarHBondContact O-N 2.85Å
15	K	28	Very low	28.4	Very low	206 Å²	206	141.4 Å²	141.4	90%	0.896	70%	0.699	S	S	*	*			trans	-62.9	92	168.7	-78.2	-177.3	176.2	173.6	0	112	G13 R17	G13-K15 PolarHBondContact O-N 2.87Å; K15-R17 PolarHBondContact O-N 2.99Å; K15-R17 VanDerWaalsContact O-N 3.15Å
16	R	28.3	Very low	28.3	Very low	241 Å²	241	151.6 Å²	151.6	91%	0.909	73%	0.734	S	S	*	*			trans	-64.5	108.2	176.1	-65.9	176	82	175.6	6.2	111.2	K14 R18	K14-R16 PolarHBondContact O-N 2.85Å; R16-R18 PolarHBondContact O-N 3.22Å
17	R	27.4	Very low	27.9	Very low	251 Å²	251	156.1 Å²	156.1	95%	0.947	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-64.9	117.1	167.6	-84.3	177.8	157.3	174.8	-6.3	110.2	K15	K15-R17 PolarHBondContact O-N 2.99Å; K15-R17 VanDerWaalsContact O-N 3.15Å
18	R	31.3	Very low	27.8	Very low	253 Å²	253	163.2 Å²	163.2	96%	0.955	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-74.4	128.9	165	-81.4	-176.7	168.5	178	-3.6	109.8	R16	R16-R18 PolarHBondContact O-N 3.22Å
19	G	25.8	Very low	27.7	Very low	80 Å²	80	162.8 Å²	162.8	83%	0.825	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-83.6	140.9	174.2	0	0	0	0	0	112.8
20	K	28.7	Very low	27.6	Very low	214 Å²	214	164.9 Å²	164.9	93%	0.93	83%	0.832	S	S	*	*			trans	-125.9	133.1	159.7	-100.9	-178.3	173	179.3	0	107.9
21	K	28.3	Very low	27.6	Very low	185 Å²	185	170.8 Å²	170.8	80%	0.804	84%	0.837	S	S	*	*			trans	-104.2	156.1	178.7	-76.3	-174.6	175.7	179.5	0	111.2
22	H	26.9	Very low	28.3	Very low	183 Å²	183	170.2 Å²	170.2	85%	0.847	83%	0.833	S	S	*	*			trans	74.1	147.1	178.5	-47.6	103.4	0	0	0	114.4
23	R	26	Very low	28.4	Very low	242 Å²	242	170.4 Å²	170.4	91%	0.913	83%	0.826	S	S	*	*			cis	-138.4	171.2	16.4	-162.4	168.2	174.5	172.4	-3.7	112.1
24	R	25.5	Very low	28.4	Very low	236 Å²	236	175.4 Å²	175.4	89%	0.891	83%	0.829	S	S	*	*			trans	-51	159.8	175.9	-73.5	177	171.8	165.3	-4.4	112.7
25	V	26.3	Very low	28.5	Very low	138 Å²	138	169.8 Å²	169.8	84%	0.836	82%	0.822	S	S	*	*				-155.2	155.6	59.6	165.8	0	0	0	0	113
26	R	26.2	Very low	28.6	Very low	228 Å²	228	165.4 Å²	165.4	86%	0.86	82%	0.817	S	S	*	*			trans	-106.5	152	163.7	-83.9	-171.8	178.1	-179.5	-1.4	110.5
27	A	27.8	Very low	28.7	Very low	101 Å²	101	160 Å²	160	84%	0.835	81%	0.807	S	S	*	*			trans	-150.1	142.3	151.2	0	0	0	0	0	109.9
28	D	27.3	Very low	28.8	Very low	153 Å²	153	156.3 Å²	156.3	82%	0.818	80%	0.798	S	S	*	*			trans	-102.8	173.5	175.1	-65	-77.9	0	0	0	110.4
29	G	26.9	Very low	28.8	Very low	68 Å²	68	151.1 Å²	151.1	70%	0.701	79%	0.788	S	S	*	*			trans	145.5	54.7	154.2	0	0	0	0	0	122.7
30	S	28.1	Very low	29	Very low	113 Å²	113	155.7 Å²	155.7	79%	0.79	79%	0.785	S	S	*	*			trans	40.7	135.1	134	62	0	0	0	0	125.2
31	R	27	Very low	29.1	Very low	203 Å²	203	151.5 Å²	151.5	77%	0.766	78%	0.778	S	S	*	*			trans	71.9	171.9	146.1	-93.4	-177.7	157.9	-118.6	-19	117.6	E33	R31-E33 IonicContact CZ-OE1 2.72Å; R31-E33 IonicContact NH1-OE1 2.59Å; R31-E33 PolarHBondContact NH1-OE1 3.25Å; R31-E33 IonicContact NH2-OE1 3.07Å; R31-E33 PolarHBondContact NH2-OE1 2.83Å
32	P	44.9	Very low	29.2	Very low	108 Å²	108	150 Å²	150	70%	0.701	78%	0.779	S	S	*	*			cis	-130.7	167	11.5	17.7	9.1	0	0	0	119.3
33	E	30.4	Very low	29.3	Very low	121 Å²	121	144.9 Å²	144.9	57%	0.565	78%	0.775	S	S	*	*			trans	49	172.4	154.6	-53.1	-45.7	126.8	0	0	120.4	R31	R31-E33 IonicContact CZ-OE1 2.72Å; R31-E33 IonicContact NH1-OE1 2.59Å; R31-E33 PolarHBondContact NH1-OE1 3.25Å; R31-E33 IonicContact NH2-OE1 3.07Å; R31-E33 PolarHBondContact NH2-OE1 2.83Å
34	E	28.8	Very low	29.6	Very low	181 Å²	181	140.1 Å²	140.1	85%	0.846	77%	0.773	S	S	*	*			cis	-156.4	160.8	5.4	-150.1	161.5	-125.9	0	0	111.9
35	G	27.6	Very low	31	Very low	61 Å²	61	134.2 Å²	134.2	63%	0.629	77%	0.765	S	S	*	*			trans	106.6	97.6	148.8	0	0	0	0	0	122.7
36	S	30.2	Very low	31.1	Very low	114 Å²	114	134.8 Å²	134.8	80%	0.797	76%	0.763	S	S	*	*				26	151	116.9	65.4	0	0	0	0	122.2
37	D	30.4	Very low	31.1	Very low	128 Å²	128	131.8 Å²	131.8	68%	0.684	76%	0.759	S	S	*	*			cis	-170	165.7	4.1	-133.4	-30	0	0	0	114.5
38	F	29.5	Very low	31.5	Very low	172 Å²	172	134.2 Å²	134.2	75%	0.754	76%	0.756	S	S	*	*			trans	55.3	160.1	162	-75	-70	0	0	0	119.6
39	L	32	Very low	32.4	Very low	145 Å²	145	132.8 Å²	132.8	76%	0.759	76%	0.755	S	S	*	*			cis	-149	179.3	9.8	-129.6	171.7	0	0	0	111.9
40	K	30.1	Very low	33	Very low	175 Å²	175	137 Å²	137	76%	0.761	76%	0.761	S	S	*	*			trans	-73.9	175.6	-175.9	-57.9	169.9	-179.6	177.4	0	113.3
41	T	30.4	Very low	33.1	Very low	126 Å²	126	140.3 Å²	140.3	77%	0.773	76%	0.764	S	S	*	*			cis	-157.3	166.2	38.3	50.7	0	0	0	0	116.7
42	D	30.4	Very low	33.5	Very low	155 Å²	155	137.4 Å²	137.4	83%	0.829	76%	0.764	S	S	*	*			trans	-47.5	165.9	176.1	-44.5	-86.8	0	0	0	120.5
43	G	29.9	Very low	33	Very low	75 Å²	75	140.1 Å²	140.1	77%	0.773	77%	0.772	S	S	*	*			trans	168.2	125.1	164	0	0	0	0	0	114
44	T	32.4	Very low	33.2	Very low	141 Å²	141	138.6 Å²	138.6	87%	0.865	78%	0.78	S	S	*	*			trans	-126.3	-173	-163.5	-3.3	0	0	0	0	114.1
45	P	54.8	Low	33.5	Very low	112 Å²	112	138.2 Å²	138.2	73%	0.727	78%	0.778	S	S	*	*			trans	-114.1	-174.2	-138	45.6	-33.3	0	0	0	115.7
46	L	27.3	Very low	33.7	Very low	150 Å²	150	142.7 Å²	142.7	79%	0.785	78%	0.78	S	S	*	*			trans	-173	125.1	153.6	-94.2	156.6	0	0	0	109.4
47	Q	28	Very low	33.9	Very low	166 Å²	166	142.4 Å²	142.4	78%	0.776	77%	0.77	S	S	*	*				75.1	104.3	92.8	-79.7	-170.8	-8.8	0	0	120.3
48	I	35.9	Very low	33.8	Very low	152 Å²	152	145.6 Å²	145.6	78%	0.779	78%	0.781	S	S	*	*				31.8	126	119.5	-65	173.3	0	0	0	118.6
49	P	45.3	Very low	34	Very low	123 Å²	123	145.4 Å²	145.4	80%	0.799	79%	0.787	S	S	*	*				-146.3	175.2	99.3	38.2	-21	0	0	0	117.8
50	L	39	Very low	35.6	Very low	155 Å²	155	143.6 Å²	143.6	81%	0.812	78%	0.784	S	S	*	*			trans	-104.9	162.3	173.6	-56.1	106.8	0	0	0	111.7
51	Q	31.3	Very low	36.8	Very low	184 Å²	184	141.2 Å²	141.2	86%	0.86	79%	0.786	S	S	*	*			trans	-153.6	165.2	151.9	-141.4	77.2	44.3	0	0	111.4
52	N	35.8	Very low	36.9	Very low	142 Å²	142	144.6 Å²	144.6	76%	0.759	79%	0.793	S	S	*	*			trans	-104.6	175.6	177.3	-57.4	-45.4	0	0	0	111.3
53	D	32.9	Very low	36.8	Very low	164 Å²	164	140.6 Å²	140.6	88%	0.877	79%	0.788	S	S	*	*				-176.5	-176.2	113.8	-89	-16	0	0	0	112.8
54	A	36	Very low	37.9	Very low	89 Å²	89	142.5 Å²	142.5	74%	0.736	79%	0.788	S	S	*	*			trans	-152.5	175.6	-158.5	0	0	0	0	0	116
55	Q	35.5	Very low	37.9	Very low	173 Å²	173	142.2 Å²	142.2	81%	0.808	79%	0.785	S	S	*	*			trans	74.1	159.9	168.3	-63.9	-169.7	-4.7	0	0	116.2
56	K	31.6	Very low	36.9	Very low	155 Å²	155	143.7 Å²	143.7	67%	0.674	79%	0.788	S	S	*	*			cis	-158.2	168.5	6.2	-135.9	169.4	173.4	-77	0	114.2
57	D	34.1	Very low	37.3	Very low	108 Å²	108	141.1 Å²	141.1	58%	0.578	78%	0.782	S	S	*	*			trans	-19.2	143.6	171.7	-32.3	-33.9	0	0	0	123.7
58	Q	28.6	Very low	37.6	Very low	196 Å²	196	138.5 Å²	138.5	92%	0.916	78%	0.778	S	S	*	*				-179.7	-176.6	108.3	-100.6	160.4	112.2	0	0	116.2
59	L	32.6	Very low	37.4	Very low	168 Å²	168	138.9 Å²	138.9	88%	0.88	78%	0.781	S	S	*	*			trans	-126.9	-178.8	-159	-92	170.9	0	0	0	113.5
60	P	65.9	Low	36.7	Very low	107 Å²	107	136.3 Å²	136.3	70%	0.695	78%	0.777	S	S	*	*			trans	-96.8	-167.7	-153.4	42.1	-40	0	0	0	115.8
61	P	54.8	Low	36.2	Very low	125 Å²	125	139 Å²	139	81%	0.812	79%	0.786	S	S	*	*				-146.8	-142.4	101.1	42.5	-24.8	0	0	0	115.8
62	E	32.9	Very low	36	Very low	196 Å²	196	133.7 Å²	133.7	92%	0.916	78%	0.779	S	S	*	*			trans	-106	-166	-149.7	-54.5	174.1	129.9	0	0	116.3
63	G	28.7	Very low	37	Very low	71 Å²	71	132.8 Å²	132.8	73%	0.732	78%	0.782	S	S	*	*			trans	-84.6	-138.7	179.8	0	0	0	0	0	114.8
64	P	53	Low	36.9	Very low	116 Å²	116	134.3 Å²	134.3	75%	0.753	78%	0.783	S	S	*	*			cis	-141.6	-149.9	-1.5	36.7	-11.8	0	0	0	114.6
65	T	32.5	Very low	36.4	Very low	134 Å²	134	133.5 Å²	133.5	82%	0.822	78%	0.784	S	S	*	*			trans	81.7	165.6	163.7	73.6	0	0	0	0	121
66	N	34.2	Very low	37.4	Very low	144 Å²	144	131.8 Å²	131.8	77%	0.77	79%	0.788	S	S	*	*				-171.3	166	-50.8	-161.6	9.8	0	0	0	111.2
67	S	34.8	Very low	37.5	Very low	95 Å²	95	132.6 Å²	132.6	66%	0.664	79%	0.794	S	S	*	*			trans	64.4	157.5	156.1	53.4	0	0	0	0	120.2
68	T	33.5	Very low	38.6	Very low	112 Å²	112	133 Å²	133	69%	0.687	80%	0.803	S	S	*	*			cis	-170.3	159	-7.8	21.8	0	0	0	0	113.1
69	N	32.2	Very low	38.6	Very low	160 Å²	160	127.4 Å²	127.4	86%	0.856	80%	0.797	S	S	*	*			trans	66	157	154.8	-55.7	-9.7	0	0	0	120.1
70	G	30.1	Very low	38.7	Very low	69 Å²	69	125.5 Å²	125.5	71%	0.711	79%	0.792	S	S	*	*			cis	174.9	179.8	-6.5	0	0	0	0	0	114.8
71	E	29.8	Very low	36.8	Very low	212 Å²	212	128 Å²	128	99%	0.991	80%	0.798	S	S	*	*			trans	80.2	160.2	163.2	-53.4	-167.8	121.5	0	0	122.6
72	G	26.9	Very low	35.5	Very low	71 Å²	71	131.1 Å²	131.1	73%	0.732	80%	0.799	S	S	*	*			trans	-133.9	-141.9	-179.9	0	0	0	0	0	111.2
73	P	56.3	Low	36.6	Very low	124 Å²	124	126.5 Å²	126.5	81%	0.805	79%	0.787	S	S	*	*			cis	-140.9	-146.9	-4.9	38.2	-13.4	0	0	0	114.7
74	E	30.1	Very low	36.7	Very low	195 Å²	195	130.1 Å²	130.1	91%	0.911	78%	0.784	S	S	*	*			trans	94.5	157.5	161.9	-50.7	-155.1	129.4	0	0	122.6
75	G	27.1	Very low	35.7	Very low	73 Å²	73	133.7 Å²	133.7	75%	0.753	78%	0.783	S	S	*	*			trans	-126	-144.4	-174.8	0	0	0	0	0	113.4
76	P	54.7	Low	35.5	Very low	136 Å²	136	131.7 Å²	131.7	88%	0.883	77%	0.774	S	S	*	*			cis	-142.1	-159.8	6.5	45.2	-24.1	0	0	0	117
77	E	35	Very low	35.2	Very low	172 Å²	172	131.9 Å²	131.9	80%	0.804	77%	0.774	S	S	*	*			trans	-49.7	-176.2	168.4	-80.4	-90.7	156.7	0	0	118.5
78	P	56.1	Low	34.9	Very low	118 Å²	118	135.5 Å²	135.5	77%	0.766	78%	0.78	S	S	*	*			cis	-137.9	-170.4	-2.7	37.8	-16.9	0	0	0	117.1
79	G	30.2	Very low	34.6	Very low	77 Å²	77	136.1 Å²	136.1	79%	0.794	78%	0.784	S	S	*	*			trans	163.9	107.7	152.8	0	0	0	0	0	121.2
80	T	33.1	Very low	35.5	Very low	128 Å²	128	134 Å²	134	79%	0.785	78%	0.779	S	S	*	*			trans	-96.1	162.2	-173	-35.3	0	0	0	0	116.2
81	I	27.4	Very low	35.4	Very low	160 Å²	160	136.3 Å²	136.3	82%	0.821	78%	0.783	S	S	*	*			trans	165.7	155.5	131.9	-85.2	158.6	0	0	0	116
82	F	27.4	Very low	35.6	Very low	190 Å²	190	133.2 Å²	133.2	83%	0.833	77%	0.772	S	S	*	*			trans	-118.7	-164.1	-177.9	-89.3	-89.7	0	0	0	111.3
83	P	56.1	Low	35.8	Very low	100 Å²	100	138.6 Å²	138.6	65%	0.649	78%	0.779	S	S	*	*			cis	-143.2	175.9	3	45.7	-26.9	0	0	0	119.3
84	E	31.1	Very low	34.6	Very low	146 Å²	146	135.8 Å²	135.8	68%	0.682	77%	0.772	S	S	*	*			trans	57.7	162.1	144.9	-75.1	-168	138	0	0	122.1
85	R	31	Very low	35.7	Very low	191 Å²	191	132.5 Å²	132.5	72%	0.721	77%	0.768	S	S	*	*			cis	-161.2	144.3	1.5	-130.7	177.6	-148.9	173.1	21.6	115.4
86	S	29.4	Very low	36	Very low	92 Å²	92	137.8 Å²	137.8	64%	0.643	77%	0.773	S	S	*	*			trans	48.8	138.3	138.1	66.3	0	0	0	0	126.7
87	I	27.4	Very low	35.2	Very low	149 Å²	149	139.4 Å²	139.4	76%	0.764	77%	0.769	S	S	*	*				159.5	121.8	118.8	-80.8	171.4	0	0	0	116.1
88	Q	27.3	Very low	35	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.794	77%	0.767	S	S	*	*			trans	36.5	122.2	145.5	-65.5	175.4	-20.8	0	0	127.3
89	T	29.1	Very low	33.9	Very low	126 Å²	126	138 Å²	138	77%	0.773	77%	0.768	S	S	*	*				23.6	167.4	120.8	52.3	0	0	0	0	124.1
90	P	50.3	Low	34	Very low	115 Å²	115	140.4 Å²	140.4	75%	0.747	77%	0.767	S	S	*	*			cis	-142.1	168.6	1.7	32	-7.6	0	0	0	120.3
91	C	28.8	Very low	33.8	Very low	117 Å²	117	139.9 Å²	139.9	79%	0.791	77%	0.769	S	S	*	*			trans	27.9	145.2	140.5	-72.3	0	0	0	0	129.5
92	L	33.4	Very low	34.2	Very low	147 Å²	147	141.3 Å²	141.3	77%	0.77	77%	0.772	S	S	*	*			trans	99.4	131.7	131.8	-80.2	160.9	0	0	0	124.8
93	Q	30.2	Very low	34.6	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	77%	0.772	S	S	*	*			trans	70.7	155.3	146.4	-78.1	167.5	-1.7	0	0	123.5
94	G	32.2	Very low	34.7	Very low	65 Å²	65	140 Å²	140	67%	0.67	77%	0.772	S	S	*	*			trans	-146.9	172.7	168.4	0	0	0	0	0	110.3
95	P	52.6	Low	34.8	Very low	127 Å²	127	139.5 Å²	139.5	83%	0.825	77%	0.774	S	S	*	*				-162.9	171	128	40.7	-20.9	0	0	0	119.7
96	Q	33.9	Very low	35	Very low	183 Å²	183	137.4 Å²	137.4	86%	0.855	77%	0.773	S	S	*	*			trans	69	-167.8	142	-81.3	-169.1	-6.1	0	0	124.6
97	Q	37.8	Very low	35.1	Very low	170 Å²	170	138.8 Å²	138.8	79%	0.794	78%	0.777	S	S	*	*			trans	-134.2	157.7	-138.6	-56.1	172.5	-19.8	0	0	116.9
98	S	30.1	Very low	35.2	Very low	110 Å²	110	136.9 Å²	136.9	77%	0.769	77%	0.773	S	S	*	*			trans	-168.5	146.4	159.3	56.9	0	0	0	0	111.3
99	L	33.7	Very low	35.3	Very low	152 Å²	152	137.6 Å²	137.6	80%	0.796	78%	0.776	S	S	*	*			cis	87.5	130.1	13.3	-55.8	172.9	0	0	0	116.6
100	T	32.5	Very low	35.4	Very low	126 Å²	126	136.9 Å²	136.9	77%	0.773	78%	0.776	S	S	*	*			cis	-165.2	156.7	-19.9	-42	0	0	0	0	110.3
101	S	29.3	Very low	35.4	Very low	117 Å²	117	137.4 Å²	137.4	82%	0.818	78%	0.78	S	S	*	*			trans	-155.1	179	167.2	67.9	0	0	0	0	115.7
102	Q	34.4	Very low	36	Very low	191 Å²	191	137.9 Å²	137.9	89%	0.893	78%	0.779	S	S	*	*			trans	-135.7	178.7	-143.2	-68.5	180	-17.2	0	0	118.6
103	I	35.4	Very low	36.6	Very low	159 Å²	159	136.3 Å²	136.3	82%	0.815	78%	0.777	S	S	*	*			trans	-93.6	167.7	-178.3	-17.1	175.2	0	0	0	112.6
104	P	59.1	Low	36.7	Very low	103 Å²	103	136.4 Å²	136.4	67%	0.669	78%	0.778	S	S	*	*				-160.3	166.6	88.8	42.3	-22.1	0	0	0	120.1
105	N	33.8	Very low	36.9	Very low	135 Å²	135	138.7 Å²	138.7	72%	0.722	78%	0.783	S	S	*	*			trans	67.1	153.9	147.7	-69.9	-16.3	0	0	0	122.1
106	Q	34.3	Very low	36.8	Very low	147 Å²	147	138.7 Å²	138.7	69%	0.687	78%	0.783	S	S	*	*			cis	-167.4	158.9	-21.3	-117.3	177.9	58.6	0	0	112.7
107	T	31.1	Very low	36.8	Very low	121 Å²	121	138 Å²	138	74%	0.742	78%	0.78	S	S	*	*			trans	64.1	155.6	161.1	45	0	0	0	0	119
108	T	29.2	Very low	36.4	Very low	109 Å²	109	138.3 Å²	138.3	67%	0.669	78%	0.781	S	S	*	*			cis	-154.8	140.7	22.7	-26.5	0	0	0	0	114.4
109	Q	29.4	Very low	36.5	Very low	186 Å²	186	139.3 Å²	139.3	87%	0.869	78%	0.776	S	S	*	*			trans	44.4	146	148.3	-71.7	170.3	5.1	0	0	125.6
110	S	32.4	Very low	36.1	Very low	110 Å²	110	138.3 Å²	138.3	77%	0.769	77%	0.772	S	S	*	*			trans	-95.4	178.2	165.9	-40	0	0	0	0	111.7
111	P	50.3	Low	35.9	Very low	126 Å²	126	140.5 Å²	140.5	82%	0.818	77%	0.773	S	S	*	*				-154.7	-173.2	85.4	41.6	-21.6	0	0	0	116.8
112	V	40.8	Very low	36	Very low	127 Å²	127	140.3 Å²	140.3	77%	0.77	77%	0.772	S	S	*	*			trans	-114.3	149.1	177.4	172.6	0	0	0	0	110.8
113	P	46.6	Very low	36.9	Very low	114 Å²	114	135.9 Å²	135.9	74%	0.74	76%	0.76	S	S	*	*			trans	-127.4	139	137.6	35.8	-26.1	0	0	0	110.6
114	Q	32.3	Very low	36.7	Very low	187 Å²	187	137.3 Å²	137.3	87%	0.874	76%	0.762	S	S	*	*				68.9	132.7	52.2	-70	-160.4	-11.4	0	0	115.8
115	S	36.2	Very low	35.2	Very low	112 Å²	112	137 Å²	137	78%	0.783	76%	0.763	S	S	*	*			trans	-113	160.9	-176.8	53.9	0	0	0	0	112.3
116	P	51.1	Low	34.9	Very low	127 Å²	127	139.4 Å²	139.4	83%	0.825	77%	0.77	S	S	*	*			trans	-140.9	178.1	144	33.5	-15.5	0	0	0	116.2
117	H	33.4	Very low	34.7	Very low	168 Å²	168	137.1 Å²	137.1	78%	0.778	77%	0.77	S	S	*	*			trans	-81.7	164.7	-166.6	-56.8	-100.2	0	0	0	117.1
118	H	29	Very low	35.6	Very low	177 Å²	177	136.7 Å²	136.7	82%	0.819	77%	0.769	S	S	*	*				-179.9	124	123.7	-93.7	-72.3	0	0	0	108
119	I	31.8	Very low	35.7	Very low	131 Å²	131	138.3 Å²	138.3	67%	0.672	77%	0.769	S	S	*	*				71.1	98.8	63.2	-57.3	175.6	0	0	0	115.1
120	N	26.5	Very low	35.7	Very low	132 Å²	132	137.3 Å²	137.3	71%	0.706	76%	0.764	S	S	*	*			trans	-168.6	119.6	136.7	-109.6	-4	0	0	0	109.4
121	Q	28.5	Very low	35.6	Very low	172 Å²	172	143.2 Å²	143.2	80%	0.804	77%	0.77	S	S	*	*				75.3	120.4	88.1	-73	-167.7	66.6	0	0	116.1
122	S	31.2	Very low	34.6	Very low	112 Å²	112	143.1 Å²	143.1	78%	0.783	77%	0.767	S	S	*	*			trans	-92.6	172.2	163.5	-37.9	0	0	0	0	109.7
123	P	52.4	Low	33.9	Very low	99 Å²	99	145.8 Å²	145.8	64%	0.643	77%	0.771	S	S	*	*				-158.2	170.3	73.1	43.5	-23.3	0	0	0	118.7
124	H	31.6	Very low	33.4	Very low	188 Å²	188	145.9 Å²	145.9	87%	0.87	77%	0.774	S	S	*	*			trans	63.6	160.5	159.7	-56.7	-48.3	0	0	0	118
125	S	27.6	Very low	33.9	Very low	96 Å²	96	143 Å²	143	67%	0.671	77%	0.772	S	S	*	*			cis	-146.4	162	12.5	65.8	0	0	0	0	115.1
126	Q	27.6	Very low	33.5	Very low	187 Å²	187	148.8 Å²	148.8	87%	0.874	78%	0.776	S	S	*	*			trans	60.3	106.3	152.3	-69.7	172.7	11.3	0	0	122.3
127	S	30.3	Very low	32.7	Very low	99 Å²	99	151 Å²	151	69%	0.692	78%	0.775	S	S	*	*			trans	-83.9	168.8	144.7	57.4	0	0	0	0	111.6
128	P	48.9	Very low	32.3	Very low	112 Å²	112	151.9 Å²	151.9	73%	0.727	78%	0.78	S	S	*	*				-145.5	144.8	102.2	25.1	-4.3	0	0	0	118
129	H	31.5	Very low	32.4	Very low	143 Å²	143	149 Å²	149	66%	0.662	78%	0.779	S	S	*	*			trans	48.7	114.1	141.2	-57.4	-61.2	0	0	0	121.8
130	Q	29.9	Very low	33.3	Very low	164 Å²	164	148.1 Å²	148.1	77%	0.766	78%	0.782	S	S	*	*				85.2	133.5	94	-73.3	165.5	-4.4	0	0	114
131	R	30.6	Very low	33.7	Very low	234 Å²	234	150.4 Å²	150.4	88%	0.883	79%	0.788	S	S	*	*			cis	79.8	91.2	30.3	-166.2	-159.7	-126.7	-143.8	2.8	116
132	V	27.8	Very low	33.9	Very low	125 Å²	125	150.2 Å²	150.2	76%	0.758	79%	0.788	S	S	*	*			trans	-151.5	109.8	150.2	172	0	0	0	0	106.3
133	Q	26.6	Very low	34	Very low	183 Å²	183	151.6 Å²	151.6	86%	0.855	79%	0.786	S	S	*	*				68.6	153.3	102	-60.2	-178.4	-19.3	0	0	117.8
134	S	37.6	Very low	32.9	Very low	115 Å²	115	152.1 Å²	152.1	80%	0.804	79%	0.788	S	S	*	*			trans	-79.4	169	-178.7	-27.4	0	0	0	0	113.8
135	P	41.8	Very low	32.7	Very low	128 Å²	128	152 Å²	152	83%	0.831	79%	0.787	S	S	*	*			trans	-127.4	162.2	148.1	37	-26.1	0	0	0	114.3
136	R	27.3	Very low	33	Very low	233 Å²	233	152.8 Å²	152.8	88%	0.879	79%	0.793	S	S	*	*			trans	-99.4	170.4	163.6	-88.7	-178.1	170	-179.2	-3.3	110
137	H	34.6	Very low	34.1	Very low	172 Å²	172	149.9 Å²	149.9	80%	0.796	79%	0.79	S	S	*	*			trans	-1.7	134	160.2	-65.5	-96.1	0	0	0	119.2
138	E	25.4	Very low	34.3	Very low	188 Å²	188	151.6 Å²	151.6	88%	0.879	80%	0.796	S	S	*	*				-169.1	-178	102.6	-104.1	-177.5	166.1	0	0	112
139	S	30.3	Very low	34.6	Very low	115 Å²	115	151.3 Å²	151.3	80%	0.804	79%	0.794	S	S	*	*			trans	-147.4	156.4	-177.5	-57.4	0	0	0	0	111.3
140	P	50.5	Low	34.5	Very low	114 Å²	114	153.3 Å²	153.3	74%	0.74	80%	0.804	S	S	*	*			trans	-145.4	138	144.1	33.6	-16.7	0	0	0	116.5
141	H	36	Very low	34.6	Very low	179 Å²	179	150.5 Å²	150.5	83%	0.829	80%	0.803	S	S	*	*			trans	27.5	159.7	138.6	-50	-72.1	0	0	0	122.9
142	Q	32.7	Very low	35.9	Very low	169 Å²	169	143.6 Å²	143.6	79%	0.79	79%	0.788	S	S	*	*			cis	-151.3	153.3	28.6	-61.3	174.2	-0.1	0	0	114.2
143	N	32.3	Very low	36.2	Very low	140 Å²	140	145.3 Å²	145.3	75%	0.749	79%	0.787	S	S	*	*			trans	46.7	155.2	141.1	-62.8	-5.5	0	0	0	122.2
144	T	29.3	Very low	36.6	Very low	111 Å²	111	143.9 Å²	143.9	68%	0.681	78%	0.781	S	S	*	*			cis	-159.8	147.3	23.7	-22.8	0	0	0	0	114.2
145	Q	29	Very low	36.3	Very low	184 Å²	184	143.5 Å²	143.5	86%	0.86	77%	0.774	S	S	*	*			trans	66.7	161.2	146.5	-85.9	165	16.7	0	0	124
146	S	32.3	Very low	35.7	Very low	114 Å²	114	142.8 Å²	142.8	80%	0.797	77%	0.767	S	S	*	*			trans	-132.3	176.5	-174.2	-39.8	0	0	0	0	110
147	P	51	Low	35.9	Very low	125 Å²	125	140.4 Å²	140.4	81%	0.812	77%	0.766	S	S	*	*				-151.8	-166.5	70.9	39.9	-17.4	0	0	0	115.9
148	V	35.5	Very low	35.8	Very low	135 Å²	135	137.4 Å²	137.4	82%	0.818	77%	0.765	S	S	*	*			trans	-138.2	160	179.6	-60.5	0	0	0	0	110
149	P	54.1	Low	36.9	Very low	106 Å²	106	134.5 Å²	134.5	69%	0.688	76%	0.762	S	S	*	*				-163.8	-165.5	87.2	44.8	-22.9	0	0	0	117.7
150	Q	30.6	Very low	37.1	Very low	186 Å²	186	135.2 Å²	135.2	87%	0.869	76%	0.761	S	S	*	*			trans	96.6	164.6	145.3	-82.4	170.1	23.7	0	0	123.6
151	S	32.1	Very low	37.2	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	76%	0.757	S	S	*	*			trans	-135.7	-152.7	-147.7	53.6	0	0	0	0	110.8
152	P	56.8	Low	36.9	Very low	88 Å²	88	135 Å²	135	57%	0.571	76%	0.759	S	S	*	*			cis	-144.5	-172.6	-4.9	44.4	-24.5	0	0	0	117.6
153	H	35.3	Very low	36.9	Very low	161 Å²	161	134.2 Å²	134.2	75%	0.745	76%	0.761	S	S	*	*			trans	64.9	163.2	146.1	-67.7	-26.2	0	0	0	120.3
154	Q	33.4	Very low	38	Very low	153 Å²	153	131.4 Å²	131.4	72%	0.715	75%	0.75	S	S	*	*			cis	-156.6	151.8	-13.4	-121.8	177.9	24	0	0	113.6
155	T	30.9	Very low	38.2	Very low	107 Å²	107	133.3 Å²	133.3	66%	0.656	75%	0.751	S	S	*	*			trans	28.9	148	147.3	32	0	0	0	0	127.2
156	T	31	Very low	38.4	Very low	113 Å²	113	131.4 Å²	131.4	69%	0.693	74%	0.742	S	S	*	*			trans	98.2	129.7	133.8	35.1	0	0	0	0	124.9
157	Q	30.3	Very low	38.4	Very low	183 Å²	183	132.2 Å²	132.2	86%	0.855	74%	0.736	S	S	*	*			trans	79.8	126.3	142.5	-71.9	173.9	21	0	0	122.1
158	S	32.9	Very low	37.3	Very low	110 Å²	110	132.2 Å²	132.2	77%	0.769	73%	0.729	S	S	*	*			trans	-79	165.1	161.8	-38.4	0	0	0	0	110.7
159	P	47.5	Very low	37.1	Very low	126 Å²	126	134.8 Å²	134.8	82%	0.818	73%	0.729	S	S	*	*				-148.1	166.3	84.7	40.4	-23.5	0	0	0	117.3
160	V	34.9	Very low	36.3	Very low	130 Å²	130	134.9 Å²	134.9	79%	0.788	73%	0.732	S	S	*	*			trans	-75.6	160.3	160.8	159.3	0	0	0	0	109
161	P	52.9	Low	37.8	Very low	103 Å²	103	130.5 Å²	130.5	67%	0.669	72%	0.72	S	S	*	*			cis	-135.8	-177.3	15.9	22	4.9	0	0	0	116.4
162	Q	30.4	Very low	38.2	Very low	186 Å²	186	134 Å²	134	87%	0.869	72%	0.724	S	S	*	*				147.8	132.2	119.6	-73.9	-163.9	4.8	0	0	115.1
163	N	32	Very low	37.3	Very low	153 Å²	153	134.3 Å²	134.3	82%	0.818	73%	0.729	S	S	*	*			trans	-89.2	-173.6	164.3	-127.5	-13.3	0	0	0	107.9
164	P	55.6	Low	37.3	Very low	80 Å²	80	135.9 Å²	135.9	52%	0.519	74%	0.736	S	S	.	*			cis	-140.4	-164.5	-5.3	21.6	7.5	0	0	0	114.1
165	H	32.7	Very low	37.3	Very low	151 Å²	151	133.7 Å²	133.7	70%	0.699	74%	0.738	S	S	*	*			trans	68.6	165.2	157.2	-55.6	-54.5	0	0	0	118.4
166	H	33.4	Very low	38.7	Very low	144 Å²	144	133.4 Å²	133.4	67%	0.667	74%	0.738	S	S	*	*			cis	-155.1	141.7	-33.7	-110.3	-44.5	0	0	0	111.1
167	I	32.8	Very low	39.3	Very low	131 Å²	131	135.8 Å²	135.8	67%	0.672	74%	0.741	S	S	*	*			trans	20.2	118	137.1	-54.3	170	0	0	0	118.7
168	N	29.1	Very low	39.8	Very low	126 Å²	126	133.1 Å²	133.1	67%	0.674	73%	0.728	S	S	*	*				-178.7	147.8	112.9	-108.3	-53.5	0	0	0	118.1
169	K	30.6	Very low	40.1	Very low	188 Å²	188	137.7 Å²	137.7	82%	0.817	73%	0.729	S	S	*	*			trans	69.1	148.7	143.3	-74.5	158.8	-171.3	179.2	0	123.4
170	S	36.7	Very low	39.6	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	72%	0.724	S	S	*	*			trans	-105.6	-164.6	179.6	56.6	0	0	0	0	109.8
171	P	62.4	Low	39.4	Very low	94 Å²	94	139.7 Å²	139.7	61%	0.61	73%	0.727	S	S	*	*			cis	-143.2	-177.3	2.8	44.6	-26	0	0	0	117.7
172	H	39.8	Very low	38.9	Very low	178 Å²	178	140.3 Å²	140.3	82%	0.824	73%	0.733	S	S	*	*			trans	65.4	153.3	154.3	-67.5	-42.5	0	0	0	119.9
173	S	37.7	Very low	40.5	Very low	95 Å²	95	137.3 Å²	137.3	66%	0.664	73%	0.73	S	S	*	*			cis	-169.2	170.9	-14.7	55.5	0	0	0	0	113.7
174	Q	35.6	Very low	40.6	Very low	194 Å²	194	139.7 Å²	139.7	91%	0.907	73%	0.727	S	S	*	*			trans	81.9	169.1	159.2	-65.5	-169.8	4.4	0	0	121.8
175	S	34.4	Very low	39.5	Very low	108 Å²	108	142.3 Å²	142.3	76%	0.755	73%	0.733	S	S	*	*			trans	-134.8	-176	-160.1	60.5	0	0	0	0	112.5
176	P	60.3	Low	39.3	Very low	101 Å²	101	143 Å²	143	66%	0.656	74%	0.736	S	S	*	*				-160.4	176	93.7	41.8	-21.6	0	0	0	119.6
177	H	43.6	Very low	39.1	Very low	163 Å²	163	141.1 Å²	141.1	76%	0.755	74%	0.739	S	S	*	*			trans	73.7	171.1	154.8	-70.5	-9.2	0	0	0	119.7
178	Q	40.3	Very low	40.2	Very low	126 Å²	126	140.4 Å²	140.4	59%	0.589	74%	0.743	S	S	*	*			cis	-170.9	170.4	-33.2	-97.3	-170	92	0	0	107
179	R	39.2	Very low	40.5	Very low	207 Å²	207	142.1 Å²	142.1	78%	0.781	75%	0.747	S	S	*	*			cis	-179.4	-164.9	-16.8	-177.2	167.9	174.4	-175.4	-0.8	107.8
180	V	36.3	Very low	40.7	Very low	119 Å²	119	140.8 Å²	140.8	72%	0.721	74%	0.743	S	S	*	*			trans	78.9	146.2	160.5	173.7	0	0	0	0	116.8
181	Q	32.3	Very low	40.5	Very low	179 Å²	179	141.7 Å²	141.7	84%	0.836	74%	0.74	S	S	*	*			cis	-160.5	174.5	-24.4	-106	-177.8	-50.2	0	0	110.5
182	S	41.4	Very low	39	Very low	115 Å²	115	142.3 Å²	142.3	80%	0.804	74%	0.742	S	S	*	*			trans	-150.6	171.3	-176.5	-48.7	0	0	0	0	116
183	P	63.7	Low	38.3	Very low	124 Å²	124	142.8 Å²	142.8	81%	0.805	74%	0.744	S	S	*	*			trans	-109.9	-157.9	167.6	40.5	-30.9	0	0	0	114.9
184	R	35	Very low	38	Very low	202 Å²	202	143.2 Å²	143.2	76%	0.762	75%	0.748	S	S	*	*			trans	-151.6	-178.9	-166.4	-56.6	173.8	87.4	-116.9	9.2	114
185	H	33.1	Very low	39.4	Very low	136 Å²	136	139.3 Å²	139.3	63%	0.63	74%	0.739	S	S	*	*			trans	83.4	142.2	163.2	-61.4	-84.4	0	0	0	118.7
186	E	26.7	Very low	39.1	Very low	164 Å²	164	140.2 Å²	140.2	77%	0.766	75%	0.746	S	S	*	*			cis	-158	-172.3	-7.4	-147	143.4	-124	0	0	113.6
187	S	30.1	Very low	37.9	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	75%	0.747	S	S	*	*			trans	-134.9	164.1	178.5	-50.1	0	0	0	0	111.2
188	P	56.4	Low	37.4	Very low	115 Å²	115	140.9 Å²	140.9	75%	0.747	75%	0.751	S	S	*	*				-163.7	163.1	89.6	41	-18.8	0	0	0	121.2
189	H	35.2	Very low	36.9	Very low	162 Å²	162	139.9 Å²	139.9	75%	0.75	76%	0.758	S	S	*	*			trans	38.1	126	142.8	-65	-61.1	0	0	0	129.4
190	Q	35.4	Very low	37.4	Very low	161 Å²	161	134.7 Å²	134.7	75%	0.752	75%	0.751	S	S	*	*			trans	67.1	178.4	135.5	-60	-176.9	-13.2	0	0	119.4
191	N	32.1	Very low	37.2	Very low	126 Å²	126	135.3 Å²	135.3	67%	0.674	75%	0.75	S	S	*	*			cis	-156.2	-174.9	6.1	-142.4	-12.1	0	0	0	110
192	T	30.2	Very low	37.1	Very low	108 Å²	108	133.6 Å²	133.6	66%	0.663	74%	0.742	S	S	*	*			cis	-164.7	171.1	8.4	-19.3	0	0	0	0	112.6
193	Q	26.2	Very low	36.5	Very low	187 Å²	187	134.7 Å²	134.7	87%	0.874	74%	0.738	S	S	*	*			trans	79.9	167.3	148.5	-83.5	-178.9	14.4	0	0	124.3
194	S	31.8	Very low	34.8	Very low	105 Å²	105	134.2 Å²	134.2	73%	0.734	73%	0.733	S	S	*	*			trans	-164.4	-157.1	-159.9	64	0	0	0	0	109.9
195	P	64.4	Low	34.7	Very low	111 Å²	111	132.9 Å²	132.9	72%	0.721	74%	0.735	S	S	*	*			cis	-130	-178.6	-32.5	39.9	-23.6	0	0	0	113.9
196	S	27.7	Very low	35.3	Very low	128 Å²	128	131.8 Å²	131.8	90%	0.895	74%	0.74	S	S	*	*			trans	-175.4	175.3	152.1	28.2	0	0	0	0	112.4
197	S	35.1	Very low	35.3	Very low	99 Å²	99	131.5 Å²	131.5	69%	0.692	74%	0.743	S	S	*	*			trans	-151.6	173.8	-151.7	56.5	0	0	0	0	118
198	H	31.9	Very low	36.9	Very low	178 Å²	178	132 Å²	132	82%	0.824	74%	0.744	S	S	*	*			trans	99.2	160.7	156	-71	-58.1	0	0	0	122.5
199	S	29.8	Very low	36.2	Very low	105 Å²	105	132.2 Å²	132.2	73%	0.734	75%	0.745	S	S	*	*			trans	-83.1	-174.2	-165	-32.4	0	0	0	0	113.3
200	P	50.3	Low	36.1	Very low	99 Å²	99	133.1 Å²	133.1	64%	0.643	75%	0.749	S	S	*	*			cis	-141.3	173.8	5.5	43.8	-25.9	0	0	0	118.3
201	N	31.7	Very low	35.7	Very low	132 Å²	132	131.6 Å²	131.6	71%	0.706	76%	0.755	S	S	*	*			trans	66.3	147.6	151.3	-66.1	-14.8	0	0	0	119.7
202	Q	31.5	Very low	36.6	Very low	142 Å²	142	130.1 Å²	130.1	66%	0.664	75%	0.752	S	S	*	*			cis	-165.8	156.4	-12.5	-115.5	169.8	26.5	0	0	110.4
203	I	29.2	Very low	36.7	Very low	139 Å²	139	132.6 Å²	132.6	71%	0.713	76%	0.756	S	S	*	*			trans	60.1	129.9	146.5	-66	165	0	0	0	118
204	T	27.5	Very low	37.2	Very low	114 Å²	114	132.7 Å²	132.7	70%	0.699	75%	0.754	S	S	*	*			cis	-158	144.8	-8.8	23.6	0	0	0	0	106.5
205	Q	32	Very low	37.1	Very low	174 Å²	174	136.1 Å²	136.1	81%	0.813	76%	0.762	S	S	*	*				44.9	148.1	85	-74.3	-147.3	33.9	0	0	117
206	P	45.5	Very low	35.5	Very low	113 Å²	113	136.7 Å²	136.7	73%	0.734	76%	0.764	S	S	*	*			cis	-140.7	-167.1	-11.3	35.2	-12	0	0	0	115.6
207	L	27.6	Very low	35.6	Very low	158 Å²	158	140.1 Å²	140.1	83%	0.827	76%	0.762	S	S	*	*			trans	-75.7	-176.4	154	-65.2	108.7	0	0	0	111.1
208	P	62.9	Low	35.3	Very low	117 Å²	117	140 Å²	140	76%	0.76	77%	0.767	S	S	*	*			cis	-110.8	-98.8	-14.2	30.2	-8.2	0	0	0	110.5
209	P	43.1	Very low	35.2	Very low	118 Å²	118	138.4 Å²	138.4	77%	0.766	77%	0.77	S	S	*	*			cis	-117	-161.9	-16.7	42.6	-27.1	0	0	0	113.8
210	Q	31.4	Very low	35.4	Very low	181 Å²	181	140.9 Å²	140.9	85%	0.846	77%	0.769	S	S	*	*			trans	-121	164.6	161.6	-56	172.8	6.8	0	0	108.9
211	C	27	Very low	34.4	Very low	130 Å²	130	142.8 Å²	142.8	88%	0.878	77%	0.77	S	S	*	*			trans	-174	160.2	136.8	-103.6	0	0	0	0	113.3
212	P	51.1	Low	34.4	Very low	94 Å²	94	146.8 Å²	146.8	61%	0.61	78%	0.775	S	S	*	*			trans	-140.2	-149.9	-149.6	39.8	-16.6	0	0	0	115.4
213	H	32.8	Very low	34.3	Very low	161 Å²	161	145 Å²	145	75%	0.745	78%	0.779	S	S	*	*			trans	81.1	125.2	177.1	-53.8	-70.1	0	0	0	115.3
214	K	37.6	Very low	34.3	Very low	189 Å²	189	145.1 Å²	145.1	82%	0.822	78%	0.779	S	S	*	*				68.8	110.7	54.9	-75.5	-168.5	173.8	-177.9	0	114.1
215	I	30	Very low	34.4	Very low	176 Å²	176	145.9 Å²	145.9	90%	0.903	78%	0.779	S	S	*	*			trans	-164.5	176.7	143.5	-104	155.5	0	0	0	109
216	T	30.1	Very low	34.2	Very low	124 Å²	124	146.1 Å²	146.1	76%	0.761	78%	0.78	S	S	*	*			trans	-138.1	162.1	-143.6	-31.3	0	0	0	0	114.2
217	K	28.6	Very low	33.3	Very low	199 Å²	199	150.2 Å²	150.2	87%	0.865	79%	0.792	S	S	*	*			trans	102.5	107.1	156.1	-63.2	179.8	176.8	179.9	0	120.3
218	A	30.3	Very low	33.3	Very low	97 Å²	97	146.8 Å²	146.8	80%	0.802	79%	0.786	S	S	*	*			trans	-16.7	155	145	0	0	0	0	0	122.6
219	V	29.9	Very low	31.7	Very low	145 Å²	145	148.4 Å²	148.4	88%	0.879	79%	0.787	S	S	*	*			trans	-142.8	159.4	145.8	-178.5	0	0	0	0	110.4
220	H	32.4	Very low	30.9	Very low	156 Å²	156	152 Å²	152	72%	0.722	79%	0.791	S	S	*	*			trans	-72.3	176.5	174.2	-93.5	25	0	0	0	114.4
221	Q	31.1	Very low	31	Very low	139 Å²	139	149.3 Å²	149.3	65%	0.65	79%	0.787	S	S	*	*			cis	178.9	171.9	-15.9	178.8	-177	49.4	0	0	108.7
222	R	30.6	Very low	31.7	Very low	216 Å²	216	148.9 Å²	148.9	82%	0.815	78%	0.782	S	S	*	*			trans	86.2	134.6	170.8	-55.7	-177.7	-178.2	-171.1	-2.2	114.5
223	S	28.7	Very low	30.7	Very low	106 Å²	106	153.1 Å²	153.1	74%	0.741	79%	0.794	S	S	*	*			cis	109.7	141.9	24	-74.4	0	0	0	0	110.8
224	I	30.8	Very low	32.1	Very low	141 Å²	141	150.5 Å²	150.5	72%	0.723	79%	0.791	S	S	*	*			cis	-165.4	171.1	-8.5	-118.7	167.2	0	0	0	109.1
225	N	28.3	Very low	31.6	Very low	129 Å²	129	147.8 Å²	147.8	69%	0.69	79%	0.79	S	S	*	*			trans	70.7	131.8	173.1	-73.1	-8	0	0	0	116.6
226	Q	29.2	Very low	31.6	Very low	179 Å²	179	147.2 Å²	147.2	84%	0.836	78%	0.784	S	S	*	*			cis	87.4	119	48.3	-78.1	-166.3	5.7	0	0	113.9
227	M	26.6	Very low	31.7	Very low	199 Å²	199	146.8 Å²	146.8	98%	0.98	78%	0.781	S	S	*	*			trans	-154.9	151.3	157.6	-124.5	-178.2	-176.1	0	0	109.4
228	A	27.3	Very low	32	Very low	86 Å²	86	144.2 Å²	144.2	71%	0.711	78%	0.775	S	S	*	*			trans	-153.2	145.9	177.3	0	0	0	0	0	110.5
229	I	28.3	Very low	32.1	Very low	151 Å²	151	147.6 Å²	147.6	77%	0.774	78%	0.777	S	S	*	*			trans	62.2	119.1	164.7	-55.9	163.6	0	0	0	116.1
230	F	25.6	Very low	33.8	Very low	195 Å²	195	145.8 Å²	145.8	86%	0.855	77%	0.768	S	S	*	*				-171.2	150.2	115.3	-114.4	-80.1	0	0	0	111.9
231	T	34.6	Very low	35.6	Very low	123 Å²	123	143.6 Å²	143.6	76%	0.755	77%	0.768	S	S	*	*			trans	-96.1	163.3	164.9	46.1	0	0	0	0	110.5
232	P	40.8	Very low	35.4	Very low	122 Å²	122	143.5 Å²	143.5	79%	0.792	77%	0.771	S	S	*	*			trans	-148	160.4	131	38.6	-23.7	0	0	0	116
233	E	30	Very low	35.4	Very low	183 Å²	183	139.9 Å²	139.9	86%	0.855	77%	0.767	S	S	*	*			trans	-101	-151.5	155.4	-57.7	-163.7	141	0	0	108.6
234	P	62.7	Low	35.5	Very low	106 Å²	106	140.1 Å²	140.1	69%	0.688	76%	0.764	S	S	*	*			cis	-134	-159.3	-18.9	39.8	-19.8	0	0	0	113.3
235	V	27.9	Very low	35.5	Very low	132 Å²	132	141.2 Å²	141.2	80%	0.8	77%	0.771	S	S	*	*			trans	159.2	148.4	130.8	159.4	0	0	0	0	114.4
236	E	30.4	Very low	35.7	Very low	164 Å²	164	141.8 Å²	141.8	77%	0.766	77%	0.773	S	S	*	*			trans	-141	-164.6	173.2	-64.2	-165.9	155.8	0	0	110.7
237	T	32	Very low	35.6	Very low	115 Å²	115	140.4 Å²	140.4	71%	0.706	77%	0.772	S	S	*	*			cis	-151.4	-130.9	3.9	-31.7	0	0	0	0	109.5
238	I	34.9	Very low	35.8	Very low	145 Å²	145	135.4 Å²	135.4	74%	0.744	76%	0.757	S	S	*	*			trans	100.2	101.6	148.3	-58.1	-175.8	0	0	0	118.2
239	M	31.9	Very low	35.8	Very low	168 Å²	168	140.6 Å²	140.6	83%	0.828	77%	0.766	S	S	*	*				82.1	-177.1	85.5	-55.7	-140.1	76.8	0	0	113.6
240	P	65.2	Low	35.7	Very low	107 Å²	107	139 Å²	139	70%	0.695	77%	0.767	S	S	*	*			cis	-135	-146.2	-5.5	47.3	-27.9	0	0	0	112.1
241	P	70.3	Confident	37.1	Very low	110 Å²	110	134.8 Å²	134.8	71%	0.714	76%	0.759	S	S	*	*			cis	-119.9	-174.1	-24.5	42	-26.4	0	0	0	112
242	D	27.9	Very low	36.9	Very low	137 Å²	137	133.4 Å²	133.4	73%	0.733	76%	0.755	S	S	*	*			cis	-151.1	-161.1	17.9	-154.5	30.9	0	0	0	108.8
243	I	30.3	Very low	36.5	Very low	139 Å²	139	136.3 Å²	136.3	71%	0.713	76%	0.758	S	S	*	*			cis	-150.9	-134.3	11.1	-169.1	154	0	0	0	111.3
244	T	30.3	Very low	36.6	Very low	112 Å²	112	131.8 Å²	131.8	69%	0.687	75%	0.746	S	S	*	*			trans	-141.3	160.1	-167.6	53.9	0	0	0	0	112
245	L	29.9	Very low	35.1	Very low	164 Å²	164	132.3 Å²	132.3	86%	0.859	75%	0.753	S	S	*	*				-163.4	173.3	68.2	-105.9	169.8	0	0	0	115.4
246	N	33	Very low	35.4	Very low	140 Å²	140	131.1 Å²	131.1	75%	0.749	75%	0.75	S	S	*	*			trans	-93.5	162.2	-166	-78.5	-28.8	0	0	0	117.2
247	N	28.3	Very low	35.5	Very low	150 Å²	150	127.8 Å²	127.8	80%	0.802	75%	0.75	S	S	*	*				-176.8	137.2	111.5	-102.3	-11.3	0	0	0	117.6
248	S	30.3	Very low	35.5	Very low	95 Å²	95	126.1 Å²	126.1	66%	0.664	75%	0.748	S	S	*	*			trans	35.1	146.3	142.5	62.7	0	0	0	0	122.5
249	Q	27.6	Very low	35.3	Very low	194 Å²	194	126.5 Å²	126.5	91%	0.907	75%	0.751	S	S	*	*			cis	-162.6	-176.3	10.1	-126.3	166.3	0.6	0	0	111.9
250	C	26.5	Very low	35.3	Very low	117 Å²	117	126.4 Å²	126.4	79%	0.791	75%	0.749	S	S	*	*			trans	-138.1	-175.6	-174.5	-137	0	0	0	0	109.5
251	P	53.2	Low	33.6	Very low	107 Å²	107	125.7 Å²	125.7	70%	0.695	75%	0.746	S	S	*	*			cis	-142.7	-173.8	-6	40.1	-19.3	0	0	0	117.1
252	S	32.1	Very low	31.6	Very low	95 Å²	95	129.3 Å²	129.3	66%	0.664	75%	0.751	S	S	*	*				117.3	125.2	128.7	72.7	0	0	0	0	123.5
253	Q	30.8	Very low	31.6	Very low	183 Å²	183	126.5 Å²	126.5	86%	0.855	75%	0.754	S	S	*	*			trans	63.1	151.7	138.3	-67.4	177.5	14.4	0	0	122
254	S	32.4	Very low	31.6	Very low	88 Å²	88	128.1 Å²	128.1	62%	0.615	76%	0.759	S	S	*	*			cis	-176.6	153.9	-21.3	55.5	0	0	0	0	113.2
255	S	32.6	Very low	31.5	Very low	117 Å²	117	128.1 Å²	128.1	82%	0.818	76%	0.764	S	S	*	*			trans	70.1	164	155.2	86.5	0	0	0	0	117.8
256	S	33	Very low	31.3	Very low	106 Å²	106	127.7 Å²	127.7	74%	0.741	76%	0.761	S	S	*	*			cis	-174.7	141.7	-18.8	156.9	0	0	0	0	112.1
257	A	31.8	Very low	31.1	Very low	94 Å²	94	131.6 Å²	131.6	78%	0.777	77%	0.765	S	S	*	*			trans	60.4	177	154.2	0	0	0	0	0	119.8
258	A	32.6	Very low	31.1	Very low	80 Å²	80	134 Å²	134	66%	0.661	77%	0.769	S	S	*	*				-172.5	164.5	-50.9	0	0	0	0	0	110.2
259	L	31	Very low	31.1	Very low	153 Å²	153	134.8 Å²	134.8	80%	0.801	77%	0.774	S	S	*	*			trans	64.9	162.8	161.5	-62.9	162.9	0	0	0	117.5
260	E	31.5	Very low	31.9	Very low	167 Å²	167	131.1 Å²	131.1	78%	0.78	77%	0.767	S	S	*	*			cis	-169.1	177.7	-37.1	-159.9	172.4	-125.2	0	0	109.2
261	S	29.8	Very low	33.2	Very low	92 Å²	92	130.7 Å²	130.7	64%	0.643	76%	0.763	S	S	*	*			trans	99.5	108	142.6	-154.2	0	0	0	0	122
262	F	29.5	Very low	32.2	Very low	186 Å²	186	132.8 Å²	132.8	82%	0.816	77%	0.768	S	S	*	*			trans	48.9	136.3	135	-76.1	-91.8	0	0	0	124.9
263	G	27.9	Very low	32.2	Very low	78 Å²	78	133.2 Å²	133.2	80%	0.804	77%	0.766	S	S	*	*			trans	-173.7	121.1	153.4	0	0	0	0	0	112.9
264	Q	29.2	Very low	32.3	Very low	173 Å²	173	131.4 Å²	131.4	81%	0.808	76%	0.763	S	S	*	*			trans	-118.7	130.5	-178.9	-68.2	-177.6	-4	0	0	113
265	S	27.7	Very low	32.2	Very low	112 Å²	112	133.7 Å²	133.7	78%	0.783	77%	0.768	S	S	*	*			trans	-178.3	139.2	140.8	-84.5	0	0	0	0	110.1
266	L	27.4	Very low	32.2	Very low	154 Å²	154	134.8 Å²	134.8	81%	0.806	76%	0.763	S	S	*	*			cis	86.6	128.7	47.1	-97.8	170.5	0	0	0	115.1
267	R	28	Very low	32.4	Very low	223 Å²	223	135.5 Å²	135.5	84%	0.842	76%	0.763	S	S	*	*			trans	77.6	115.7	175	-53.9	177.8	-170.1	-148.3	1.4	113.2
268	K	27.1	Very low	32.6	Very low	201 Å²	201	138.1 Å²	138.1	87%	0.874	76%	0.76	S	S	*	*				83.7	121.3	66.8	-79.7	-168.6	174.6	-169.4	0	113.4
269	S	31	Very low	32.5	Very low	110 Å²	110	140.6 Å²	140.6	77%	0.769	76%	0.762	S	S	*	*			trans	-32.6	163.7	161.1	44.9	0	0	0	0	116.6
270	P	45.4	Very low	32.6	Very low	117 Å²	117	137.2 Å²	137.2	76%	0.76	76%	0.755	S	S	*	*			cis	-142	-134.8	35.8	36	-9.8	0	0	0	114.2
271	P	53.6	Low	32.6	Very low	109 Å²	109	134.9 Å²	134.9	71%	0.708	76%	0.758	S	S	*	*				-121.8	149.2	-72.5	27	-8.9	0	0	0	115.8
272	D	30.9	Very low	33	Very low	151 Å²	151	134.3 Å²	134.3	81%	0.807	76%	0.758	S	S	*	*				47.6	157.6	111.8	-142.4	-5.2	0	0	0	123.8
273	V	33.9	Very low	33.3	Very low	103 Å²	103	135.1 Å²	135.1	62%	0.624	77%	0.765	S	S	*	*			trans	78.9	101.1	159.5	-176.5	0	0	0	0	120.4
274	N	30.9	Very low	33.5	Very low	146 Å²	146	134.7 Å²	134.7	78%	0.781	76%	0.76	S	S	*	*				50.5	158	123.7	-66.5	-38.3	0	0	0	122.8
275	N	32	Very low	33.6	Very low	135 Å²	135	135.7 Å²	135.7	72%	0.722	76%	0.762	S	S	*	*			cis	-179.5	-163.9	-16.2	-174.8	-1	0	0	0	106.1
276	I	32.7	Very low	33.8	Very low	141 Å²	141	135.5 Å²	135.5	72%	0.723	76%	0.756	S	S	*	*			trans	77.7	129.8	161.6	-60.2	166.6	0	0	0	116.1
277	T	35.5	Very low	34.1	Very low	120 Å²	120	135.4 Å²	135.4	74%	0.736	75%	0.752	S	S	*	*			cis	-143.4	-140.2	-20.8	31.8	0	0	0	0	107.1
278	Q	37.3	Very low	34.3	Very low	150 Å²	150	132.6 Å²	132.6	70%	0.701	75%	0.746	S	S	*	*			cis	-165.4	163.6	3	-148.3	-164.1	20.7	0	0	111.4
279	N	29.8	Very low	34.3	Very low	132 Å²	132	132 Å²	132	71%	0.706	74%	0.743	S	S	*	*			trans	68.8	144.4	162.2	-58.7	-25.5	0	0	0	119
280	A	32.7	Very low	34.1	Very low	81 Å²	81	135 Å²	135	67%	0.669	75%	0.746	S	S	*	*			cis	-165.8	149.6	-21.1	0	0	0	0	0	111.2
281	S	32	Very low	35	Very low	118 Å²	118	134.9 Å²	134.9	83%	0.825	75%	0.745	S	S	*	*			trans	35.9	152	148.4	60.4	0	0	0	0	123.7
282	A	38.9	Very low	35.2	Very low	80 Å²	80	135.4 Å²	135.4	66%	0.661	75%	0.748	S	S	*	*			cis	176.7	144.8	-23.7	0	0	0	0	0	109
283	H	35.6	Very low	35.1	Very low	204 Å²	204	134.4 Å²	134.4	94%	0.944	75%	0.747	S	S	*	*			trans	147.6	130.2	149.1	-86	-70.9	0	0	0	114.4
284	G	32	Very low	35.1	Very low	69 Å²	69	134.2 Å²	134.2	71%	0.711	75%	0.751	S	S	*	*			trans	109.9	99.8	136	0	0	0	0	0	123.4
285	F	30.5	Very low	35.8	Very low	194 Å²	194	132.9 Å²	132.9	85%	0.851	75%	0.75	S	S	*	*			trans	58.2	118.9	132.2	-81.2	-89.6	0	0	0	125.4
286	T	33.1	Very low	35.7	Very low	108 Å²	108	137.1 Å²	137.1	66%	0.663	76%	0.758	S	S	*	*				47.9	151.2	128.5	58.9	0	0	0	0	122.9
287	E	33.9	Very low	35.4	Very low	151 Å²	151	136.3 Å²	136.3	71%	0.706	76%	0.764	S	S	*	*			cis	-170.8	154.9	-5.5	-115.5	-177.8	148.1	0	0	111.9
288	F	31.4	Very low	35.3	Very low	164 Å²	164	136.8 Å²	136.8	72%	0.719	77%	0.767	S	S	*	*			trans	50.1	169.6	158.8	-75.8	-80.2	0	0	0	120.4
289	F	28	Very low	34.8	Very low	188 Å²	188	136.7 Å²	136.7	83%	0.825	78%	0.777	S	S	*	*			cis	-142.4	172.2	6.4	-132	-74.2	0	0	0	110.7
290	Q	26.4	Very low	34.8	Very low	175 Å²	175	135.1 Å²	135.1	82%	0.818	78%	0.776	S	S	*	*			trans	-114.9	155.2	-177.2	-139.3	-172.2	-7.6	0	0	113.9
291	P	64.5	Low	34.8	Very low	114 Å²	114	139.7 Å²	139.7	74%	0.74	78%	0.784	S	S	*	*			trans	-123.1	146.5	179.1	39.4	-27.3	0	0	0	116.8
292	P	57.1	Low	34.7	Very low	120 Å²	120	141 Å²	141	78%	0.779	79%	0.787	S	S	*	*			trans	-106.9	-176.2	162.4	42.5	-34.2	0	0	0	111.4
293	T	28.3	Very low	34.3	Very low	129 Å²	129	142.7 Å²	142.7	79%	0.791	79%	0.794	S	S	*	*			cis	-136.5	-177	7.2	66.2	0	0	0	0	111.5
294	S	34.3	Very low	34	Very low	99 Å²	99	138 Å²	138	69%	0.692	79%	0.79	S	S	*	*			trans	-100.5	-173.6	153	61.7	0	0	0	0	110.4
295	P	45.7	Very low	33.9	Very low	119 Å²	119	140.8 Å²	140.8	77%	0.773	79%	0.794	S	S	*	*				-153.3	-176.6	74.1	41.8	-20.8	0	0	0	117
296	Y	29.5	Very low	33.9	Very low	223 Å²	223	141.7 Å²	141.7	88%	0.875	80%	0.798	S	S	*	*			trans	-80.9	158.5	162.8	-79.2	-114.2	0	0	0	111.6
297	S	28	Very low	33.7	Very low	124 Å²	124	140.4 Å²	140.4	87%	0.867	80%	0.798	S	S	*	*				168.3	166.5	116.1	50.9	0	0	0	0	115.7
298	V	32	Very low	33.6	Very low	131 Å²	131	142.8 Å²	142.8	79%	0.794	81%	0.809	S	S	*	*			trans	-69.3	151.2	-176.1	174.8	0	0	0	0	114
299	T	26.4	Very low	33.7	Very low	147 Å²	147	142.4 Å²	142.4	90%	0.902	81%	0.814	S	S	*	*			trans	-167.2	172.3	141.6	7.6	0	0	0	0	113
300	S	30.8	Very low	34.4	Very low	99 Å²	99	139.2 Å²	139.2	69%	0.692	81%	0.813	S	S	*	*			trans	-136.1	156.1	-162.3	54.2	0	0	0	0	114.3
301	E	32.1	Very low	34.7	Very low	178 Å²	178	137.8 Å²	137.8	83%	0.832	82%	0.815	S	S	*	*			trans	57.7	132	159.9	-63.5	-171.9	154.9	0	0	121.1
302	T	30.1	Very low	33.4	Very low	144 Å²	144	138.4 Å²	138.4	88%	0.883	82%	0.817	S	S	*	*				-166.2	147.6	112.4	13.8	0	0	0	0	114.7
303	S	30.8	Very low	32.7	Very low	116 Å²	116	138.3 Å²	138.3	81%	0.811	82%	0.816	S	S	*	*			trans	-51.5	151.9	-170.4	-45.2	0	0	0	0	120.7
304	A	28.4	Very low	33.7	Very low	106 Å²	106	137.8 Å²	137.8	88%	0.876	82%	0.816	S	S	*	*			trans	-143	158.2	146.9	0	0	0	0	0	110.1
305	V	30.9	Very low	34.7	Very low	128 Å²	128	139.1 Å²	139.1	78%	0.776	82%	0.822	S	S	*	*			trans	-123.1	139	-161.8	172.3	0	0	0	0	112.5
306	F	29.6	Very low	34.2	Very low	213 Å²	213	139.3 Å²	139.3	93%	0.934	82%	0.821	S	S	*	*			trans	-168.1	165.4	134.3	-112.8	-76.2	0	0	0	111.1
307	A	30.4	Very low	34.4	Very low	81 Å²	81	134.9 Å²	134.9	67%	0.669	82%	0.817	S	S	*	*			trans	-130.6	156.6	-164.3	0	0	0	0	0	114.5
308	Q	31.4	Very low	34.4	Very low	200 Å²	200	136.6 Å²	136.6	94%	0.935	81%	0.813	S	S	*	*			trans	-169.4	166.6	133.8	-105.2	167.3	52	0	0	112.7
309	N	32.1	Very low	34.3	Very low	157 Å²	157	138.3 Å²	138.3	84%	0.84	82%	0.817	S	S	*	*			trans	-94.9	160.7	-163.4	-84.3	-23.3	0	0	0	115.2
310	P	42.9	Very low	34.5	Very low	121 Å²	121	136.3 Å²	136.3	79%	0.786	81%	0.809	S	S	*	*			trans	-83.1	171.8	178.8	35.4	-37.6	0	0	0	114.4
311	V	33.3	Very low	35.7	Very low	144 Å²	144	137 Å²	137	87%	0.873	81%	0.811	S	S	*	*			trans	-111.1	148.4	179.2	177.4	0	0	0	0	111.3
312	T	37.8	Very low	35.5	Very low	127 Å²	127	133.6 Å²	133.6	78%	0.779	80%	0.803	S	S	*	*			trans	-99.1	164.4	-170.9	40.6	0	0	0	0	115.1
313	P	41.7	Very low	35.5	Very low	118 Å²	118	135.5 Å²	135.5	77%	0.766	80%	0.801	S	S	*	*			trans	-89.6	162.3	179.3	36	-36.5	0	0	0	114.9
314	P	49.8	Very low	35.4	Very low	119 Å²	119	134.8 Å²	134.8	77%	0.773	80%	0.797	S	S	*	*			trans	-109.6	178.9	-178.6	46.9	-38.2	0	0	0	112.8
315	P	55.3	Low	35.4	Very low	126 Å²	126	136.7 Å²	136.7	82%	0.818	79%	0.792	S	S	*	*				-139.6	-173	-100.1	33.9	-8.3	0	0	0	117.9
316	T	34	Very low	36.5	Very low	123 Å²	123	135.5 Å²	135.5	76%	0.755	79%	0.787	S	S	*	*			trans	-75	161.7	-171.8	-33.4	0	0	0	0	117.4
317	T	34.1	Very low	36.4	Very low	131 Å²	131	134 Å²	134	80%	0.804	78%	0.78	S	S	*	*			trans	170.8	155.2	136.2	33.2	0	0	0	0	111.7
318	M	29.5	Very low	36.4	Very low	159 Å²	159	136.7 Å²	136.7	78%	0.783	78%	0.783	S	S	*	*			cis	-167.2	171.2	-20	-112.4	-63.4	170.9	0	0	110.9
319	L	28.5	Very low	36.2	Very low	168 Å²	168	135.1 Å²	135.1	88%	0.88	78%	0.78	S	S	*	*			trans	123.7	146.3	153.6	-64.8	175	0	0	0	118.2
320	S	30.8	Very low	36.1	Very low	104 Å²	104	133.1 Å²	133.1	73%	0.727	77%	0.774	S	S	*	*			trans	-163.4	-169	-174.4	68.5	0	0	0	0	107.7
321	P	56.2	Low	35.4	Very low	114 Å²	114	132.2 Å²	132.2	74%	0.74	77%	0.77	S	S	*	*			cis	-111.9	-140	-7.2	18.1	8.6	0	0	0	111.2
322	T	28.8	Very low	35.2	Very low	107 Å²	107	133.4 Å²	133.4	66%	0.656	77%	0.768	S	S	*	*			cis	-160	152.6	15.6	46.8	0	0	0	0	113.6
323	H	30.2	Very low	34.7	Very low	183 Å²	183	132.8 Å²	132.8	85%	0.847	76%	0.764	S	S	*	*			trans	61.7	146.4	155	-79.8	-73.6	0	0	0	119.3
324	S	27.2	Very low	33.9	Very low	102 Å²	102	136 Å²	136	71%	0.713	77%	0.767	S	S	*	*			cis	-152.4	144.1	1.5	49.1	0	0	0	0	113.8
325	D	29.8	Very low	32.8	Very low	145 Å²	145	135.4 Å²	135.4	78%	0.775	76%	0.761	S	S	*	*			trans	-62.7	171.6	163.7	-103.9	-46.5	0	0	0	113.6
326	P	52.8	Low	31.5	Very low	103 Å²	103	134.6 Å²	134.6	67%	0.669	76%	0.758	S	S	*	*			cis	-121.1	-173	30	12.9	14.9	0	0	0	114.6
327	F	28.6	Very low	31.3	Very low	181 Å²	181	133.6 Å²	133.6	79%	0.794	76%	0.756	S	S	*	*			cis	-149.5	-145.3	35.3	-129.3	-66.8	0	0	0	114.5
328	L	30.2	Very low	31	Very low	138 Å²	138	131.5 Å²	131.5	72%	0.723	75%	0.752	S	S	*	*			trans	-127.6	147.7	-159.1	-66.6	170.7	0	0	0	115.1
329	L	27.6	Very low	31	Very low	167 Å²	167	129.1 Å²	129.1	87%	0.874	75%	0.751	S	S	*	*				-161.2	145.1	120.7	-113.6	168.4	0	0	0	112.7
330	T	28.7	Very low	31.1	Very low	116 Å²	116	125.4 Å²	125.4	71%	0.712	74%	0.739	S	S	*	*			trans	-151.5	167.6	179.4	47.3	0	0	0	0	107.9
331	S	29.3	Very low	31	Very low	101 Å²	101	128.6 Å²	128.6	71%	0.706	74%	0.742	S	S	*	*			cis	-133.3	-179.8	15.8	-61.5	0	0	0	0	109.3
332	M	27.6	Very low	29.7	Very low	169 Å²	169	127.9 Å²	127.9	83%	0.833	74%	0.74	S	S	*	*			cis	61.4	136	35.5	-64.8	-148.2	178.8	0	0	114.7
333	T	27.7	Very low	29.6	Very low	114 Å²	114	131.4 Å²	131.4	70%	0.699	75%	0.754	S	S	*	*			cis	-168.3	170.3	-5.9	19	0	0	0	0	108.6
334	F	25.2	Very low	29.4	Very low	187 Å²	187	128 Å²	128	82%	0.82	75%	0.75	S	S	*	*				153.4	-177.9	116.4	-137.4	-109.4	0	0	0	114
335	T	26	Very low	29.4	Very low	105 Å²	105	128 Å²	128	64%	0.644	75%	0.749	S	S	*	*			trans	-133.5	177.1	-141.4	60.6	0	0	0	0	117.5
336	S	29.3	Very low	29.5	Very low	110 Å²	110	126 Å²	126	77%	0.769	75%	0.746	S	S	*	*			trans	89.5	150.5	157.2	-147.7	0	0	0	0	116
337	S	29	Very low	28.5	Very low	101 Å²	101	126.1 Å²	126.1	71%	0.706	75%	0.75	S	S	*	*			cis	-156.3	165.8	18.4	-38.9	0	0	0	0	114.5
338	A	28.9	Very low	28.6	Very low	87 Å²	87	122.3 Å²	122.3	72%	0.719	75%	0.746	S	S	*	*			trans	69.6	115.7	147.4	0	0	0	0	0	119.2
339	S	28.4	Very low	28.6	Very low	110 Å²	110	122.8 Å²	122.8	77%	0.769	75%	0.748	S	S	*	*				80.6	143.9	88.7	77.3	0	0	0	0	115.2
340	S	30.4	Very low	28.7	Very low	90 Å²	90	121.8 Å²	121.8	63%	0.629	74%	0.743	S	S	*	*			cis	179.3	157.5	-11	48.4	0	0	0	0	108.8
341	H	29.1	Very low	28.6	Very low	171 Å²	171	121.1 Å²	121.1	79%	0.792	74%	0.742	S	S	*	*			trans	65.4	110.8	173.3	-61.2	-72.7	0	0	0	115.6
342	S	28.2	Very low	28.6	Very low	98 Å²	98	121.3 Å²	121.3	69%	0.685	74%	0.744	S	S	*	*				70.2	111.4	71	78	0	0	0	0	115.7
343	L	28.6	Very low	28.7	Very low	181 Å²	181	120.6 Å²	120.6	95%	0.948	74%	0.742	S	S	*	*				-169.1	172.9	126.9	-104.7	168.9	0	0	0	111.3
344	C	24.8	Very low	28.7	Very low	113 Å²	113	121.9 Å²	121.9	76%	0.764	75%	0.745	S	S	*	*			trans	-110.9	178.5	-170.4	-158.7	0	0	0	0	112.7
345	S	28.2	Very low	29.3	Very low	100 Å²	100	117.8 Å²	117.8	70%	0.699	74%	0.739	S	S	*	*			trans	95.6	127	151.3	-56.8	0	0	0	0	120.7
346	S	31	Very low	30.5	Very low	103 Å²	103	117.6 Å²	117.6	72%	0.72	74%	0.74	S	S	*	*			trans	71.1	101.9	135.9	59.6	0	0	0	0	121.6
347	S	31.1	Very low	30.6	Very low	106 Å²	106	121.6 Å²	121.6	74%	0.741	74%	0.744	S	S	*	*				68.7	115.5	108.1	-51.5	0	0	0	0	121.3
348	S	31	Very low	30.5	Very low	102 Å²	102	121.8 Å²	121.8	71%	0.713	75%	0.745	S	S	*	*				82.3	123.6	117.1	76.2	0	0	0	0	121.7
349	L	30.3	Very low	30.7	Very low	147 Å²	147	127.5 Å²	127.5	77%	0.77	75%	0.754	S	S	*	*			trans	92	110.8	143	-62.9	162	0	0	0	121.8
350	L	29.3	Very low	31.7	Very low	147 Å²	147	127.9 Å²	127.9	77%	0.77	75%	0.754	S	S	*	*				82.4	127.4	127.6	-64.2	173.1	0	0	0	123.5
351	C	27.5	Very low	32.8	Very low	102 Å²	102	128.8 Å²	128.8	69%	0.689	76%	0.757	S	S	*	*			trans	72.3	96.5	134.7	-69.8	0	0	0	0	122.9
352	S	28.8	Very low	33	Very low	105 Å²	105	129 Å²	129	73%	0.734	76%	0.761	S	S	*	*				65.1	145.7	105.1	-54	0	0	0	0	123.1
353	L	31.1	Very low	33.3	Very low	154 Å²	154	129.9 Å²	129.9	81%	0.806	76%	0.762	S	S	*	*			trans	75.8	144.3	169.1	-54.1	170.9	0	0	0	115
354	D	27.8	Very low	33.5	Very low	141 Å²	141	126.5 Å²	126.5	75%	0.754	75%	0.754	S	S	*	*			cis	-149.6	172.8	0.8	-137.1	-34.7	0	0	0	113.1
355	S	36.6	Very low	33.8	Very low	101 Å²	101	126.9 Å²	126.9	71%	0.706	76%	0.758	S	S	*	*			trans	-93.1	170.6	173.1	-53.5	0	0	0	0	112.1
356	P	51.1	Low	34.2	Very low	100 Å²	100	126.5 Å²	126.5	65%	0.649	76%	0.761	S	S	*	*				-164.9	175.2	86.9	43.7	-22.6	0	0	0	119.8
357	F	31.1	Very low	34.9	Very low	195 Å²	195	127.1 Å²	127.1	86%	0.855	76%	0.762	S	S	*	*			trans	63.4	153.4	154.8	-58.9	-47.9	0	0	0	121
358	S	26.5	Very low	34.9	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	77%	0.768	S	S	*	*			cis	-165.3	160.8	-23	-109.1	0	0	0	0	112.6
359	F	34.8	Very low	35.1	Very low	207 Å²	207	131.2 Å²	131.2	91%	0.908	77%	0.771	S	S	*	*			trans	-88.7	177.6	170.2	-73.8	-79.2	0	0	0	111.9
360	P	48.5	Very low	35.3	Very low	118 Å²	118	132.8 Å²	132.8	77%	0.766	78%	0.78	S	S	*	*			cis	-146.4	-144	32.7	45.6	-21.3	0	0	0	113.8
361	P	54	Low	35.7	Very low	108 Å²	108	129.8 Å²	129.8	70%	0.701	78%	0.777	S	S	*	*			cis	-136.9	162.2	-14.9	38.7	-19.4	0	0	0	119.3
362	M	33	Very low	36.5	Very low	177 Å²	177	133.4 Å²	133.4	87%	0.872	79%	0.785	S	S	*	*			trans	25.6	158.5	144.4	-45.1	-150.7	90	0	0	123.5
363	T	33.8	Very low	37.2	Very low	116 Å²	116	133.8 Å²	133.8	71%	0.712	79%	0.785	S	S	*	*			cis	-158.8	153.6	39.9	53.3	0	0	0	0	117
364	S	32.5	Very low	38	Very low	110 Å²	110	131.7 Å²	131.7	77%	0.769	78%	0.781	S	S	*	*			trans	59.1	147.7	152.9	59.7	0	0	0	0	121.3
365	S	32.8	Very low	38.5	Very low	121 Å²	121	130.8 Å²	130.8	85%	0.846	78%	0.783	S	S	*	*			cis	-158.1	167.6	-11.1	46.2	0	0	0	0	110.6
366	A	35.7	Very low	38.5	Very low	92 Å²	92	137.8 Å²	137.8	76%	0.76	79%	0.794	S	S	*	*			trans	-94.9	173.5	-164.6	0	0	0	0	0	115.8
367	P	45.2	Very low	37.9	Very low	115 Å²	115	142.1 Å²	142.1	75%	0.747	81%	0.805	S	S	*	*				-150.2	169.5	88.3	41.7	-25.6	0	0	0	118.2
368	S	32.1	Very low	38.3	Very low	123 Å²	123	137.8 Å²	137.8	86%	0.86	80%	0.799	S	S	*	*			trans	74.2	154.1	157.1	64.6	0	0	0	0	119.8
369	H	35.6	Very low	39.1	Very low	171 Å²	171	138.2 Å²	138.2	79%	0.792	80%	0.799	S	S	*	*			trans	-146.1	126.4	-151.1	-160.8	-86.2	0	0	0	111.3
370	L	33.5	Very low	39.3	Very low	180 Å²	180	133.6 Å²	133.6	94%	0.942	79%	0.79	S	S	*	*			trans	-138.2	123.4	159.6	-77.6	-179.5	0	0	0	108.2
371	A	37.7	Very low	38.7	Very low	85 Å²	85	133.8 Å²	133.8	70%	0.702	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-95.6	141	-172.2	0	0	0	0	0	112.1
372	M	43.4	Very low	37.8	Very low	177 Å²	177	134.9 Å²	134.9	87%	0.872	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-74.5	152.8	168.9	-67.7	176.9	67.7	0	0	110.8
373	P	43.7	Very low	37.7	Very low	113 Å²	113	134.9 Å²	134.9	73%	0.734	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-68.7	150.1	173.6	30	-35.3	0	0	0	111.5
374	P	49.3	Very low	37.7	Very low	111 Å²	111	136.9 Å²	136.9	72%	0.721	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-68.3	155.7	175.3	29.9	-35.4	0	0	0	111.8
375	P	38.1	Very low	37.6	Very low	122 Å²	122	137.5 Å²	137.5	79%	0.792	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-62	141.5	175.6	27.2	-34.8	0	0	0	111	Q377	P375-Q377 PolarHBondContact O-N 3.38Å
376	R	36.5	Very low	37.6	Very low	248 Å²	248	137 Å²	137	94%	0.936	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-71.6	125.5	173.6	-67.2	-173.7	179.4	-151.2	1.5	109.3
377	Q	37.7	Very low	37.5	Very low	190 Å²	190	137.2 Å²	137.2	89%	0.888	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-66.2	140.4	166	-68.3	170.1	-21.6	0	0	109	P375	P375-Q377 PolarHBondContact O-N 3.38Å
378	S	40.8	Very low	36.7	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.2	149.4	168.1	48.6	0	0	0	0	110.3
379	P	42.1	Very low	36.7	Very low	114 Å²	114	134 Å²	134	74%	0.74	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-61	152.6	168	29.2	-34.6	0	0	0	110.1
380	P	39.6	Very low	36.5	Very low	110 Å²	110	135.1 Å²	135.1	71%	0.714	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-65.2	162.5	169.2	30.9	-35.5	0	0	0	110.5
381	P	36	Very low	36.4	Very low	123 Å²	123	133.4 Å²	133.4	80%	0.799	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-53.4	145.6	170.4	-23.5	34	0	0	0	111.3	E383	P381-E383 PolarHBondContact O-N 3.12Å
382	V	35.6	Very low	36.2	Very low	130 Å²	130	135.8 Å²	135.8	79%	0.788	77%	0.766	S	S	*	*			trans	-71.6	103.9	169.2	178.8	0	0	0	0	107.2	L384	V382-L384 PolarHBondContact O-N 3.43Å
383	E	29.2	Very low	35.5	Very low	177 Å²	177	130.4 Å²	130.4	83%	0.827	76%	0.756	S	S	*	*			trans	-61.4	103.2	172.6	-173.1	173	-165.2	0	0	108.5	P381 T385	P381-E383 PolarHBondContact O-N 3.12Å; E383-T385 VanDerWaalsContact C-N 3.32Å; E383-T385 PolarHBondContact O-N 3.3Å
384	L	35.1	Very low	35	Very low	159 Å²	159	127.9 Å²	127.9	83%	0.832	74%	0.741	S	S	*	*			trans	-66.3	92.2	177.8	-72.3	172.7	0	0	0	108.8	V382 P386	V382-L384 PolarHBondContact O-N 3.43Å; L384-P386 WeakPolarHBondContact O-CD 3.47Å; L384-P386 VanDerWaalsContact O-N 3.16Å
385	T	29.8	Very low	34.6	Very low	122 Å²	122	124.7 Å²	124.7	75%	0.748	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-56.5	119.3	169.9	50	0	0	0	0	108.3	E383	E383-T385 VanDerWaalsContact C-N 3.32Å; E383-T385 PolarHBondContact O-N 3.3Å
386	P	33.5	Very low	35	Very low	111 Å²	111	122.5 Å²	122.5	72%	0.721	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-58.7	146.5	177.1	24.4	-33.6	0	0	0	109.5	L384	L384-P386 WeakPolarHBondContact O-CD 3.47Å; L384-P386 VanDerWaalsContact O-N 3.16Å
387	P	32.4	Very low	35.5	Very low	96 Å²	96	117.5 Å²	117.5	62%	0.623	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-55.3	140.4	-177.1	22.3	-33.2	0	0	0	110.3	A389 L391	P387-A389 PolarHBondContact O-N 2.99Å; P387-L391 HydrophobicContact CB-CD1 4.48Å
388	P	28	Very low	36.8	Very low	94 Å²	94	113.6 Å²	113.6	61%	0.61	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-58.3	133.4	-171.7	23.2	-33.8	0	0	0	110.5	Q390 L391	P388-Q390 PolarHBondContact O-N 3.34Å; P388-L391 PolarHBondContact O-N 2.9Å
389	A	32.3	Very low	38.4	Very low	77 Å²	77	112.7 Å²	112.7	64%	0.636	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	7.8	-173	0	0	0	0	0	115.8	P387 L391 L392	P387-A389 PolarHBondContact O-N 2.99Å; A389-L391 VanDerWaalsContact C-N 3.31Å; A389-L392 HydrophobicContact CB-CD1 4.2Å
390	Q	31.4	Very low	40.4	Very low	194 Å²	194	107.3 Å²	107.3	91%	0.907	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-9.8	166.5	-63.5	-179.9	-2.1	0	0	112.9	P388	P388-Q390 PolarHBondContact O-N 3.34Å
391	L	33.1	Very low	42.5	Very low	144 Å²	144	106.2 Å²	106.2	75%	0.754	61%	0.605	S	S	*	*	S	Bend	trans	-86.2	-11.9	166.2	-88.4	165.7	0	0	0	113.5	P387 P388 A389 G393	P387-L391 HydrophobicContact CB-CD1 4.48Å; P388-L391 PolarHBondContact O-N 2.9Å; A389-L391 VanDerWaalsContact C-N 3.31Å; L391-G393 PolarHBondContact O-N 2.8Å
392	L	32.9	Very low	44.9	Very low	136 Å²	136	104.4 Å²	104.4	71%	0.712	59%	0.594	S	S	*	*			trans	-79	74.7	173.8	-80	164	0	0	0	110.4	A389 S394	A389-L392 HydrophobicContact CB-CD1 4.2Å; L392-S394 PolarHBondContact O-N 3.37Å
393	G	28.3	Very low	47.4	Very low	64 Å²	64	102.1 Å²	102.1	66%	0.66	58%	0.584	S	S	*	*			trans	-64.6	117	161.4	0	0	0	0	0	109.8	L391 D395	L391-G393 PolarHBondContact O-N 2.8Å; G393-D395 PolarHBondContact O-N 2.92Å
394	S	33	Very low	50.4	Low	60 Å²	60	95.8 Å²	95.8	42%	0.42	56%	0.555	S	S	.	*			trans	-55.8	105.6	164.2	28.7	0	0	0	0	109	L392 D396 E397	L392-S394 PolarHBondContact O-N 3.37Å; S394-D396 PolarHBondContact O-N 3.32Å; S394-E397 WeakPolarHBondContact CB-OE2 3.31Å; S394-E397 PolarHBondContact O-N 3.23Å; S394-E397 PolarHBondContact OG-OE2 3.07Å
395	D	40.4	Very low	53.1	Low	43 Å²	43	89.2 Å²	89.2	23%	0.23	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-6.2	-172	-159.6	61.6	0	0	0	113.7	M1 G393 K517	M1-D395 PolarHBondContact N-OD1 3.11Å; G393-D395 PolarHBondContact O-N 2.92Å; D395-K517 WeakPolarHBondContact OD2-CD 3.3Å; D395-K517 VanDerWaalsContact OD2-CE 3.3Å; D395-K517 WeakPolarHBondContact OD2-CE 3.46Å; D395-K517 IonicContact OD2-NZ 2.98Å; D395-K517 PolarHBondContact OD2-NZ 3.45Å
396	D	47	Very low	56.2	Low	76 Å²	76	86.5 Å²	86.5	41%	0.406	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-12.4	175.7	-70.6	-64.2	0	0	0	114.8	S394 S590 G591 S592	S394-D396 PolarHBondContact O-N 3.32Å; D396-S590 WeakPolarHBondContact CB-OG 3.33Å; D396-S590 WeakPolarHBondContact OD1-CB 3.3Å; D396-S590 PolarHBondContact OD1-OG 3.29Å; D396-G591 CarbonylContact O-C 3.58Å; D396-G591 WeakPolarHBondContact O-CA 3.49Å; D396-G591 PolarHBondContact O-N 2.92Å; D396-S592 PolarHBondContact O-N 2.85Å
397	E	47.3	Very low	59.1	Low	143 Å²	143	90.3 Å²	90.3	67%	0.668	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	-23.7	-173	-65.4	-168.3	110.2	0	0	114.8	S394 Q399	S394-E397 WeakPolarHBondContact CB-OE2 3.31Å; S394-E397 PolarHBondContact O-N 3.23Å; S394-E397 PolarHBondContact OG-OE2 3.07Å; E397-Q399 PolarHBondContact O-N 3.43Å
398	E	64.6	Low	62	Low	109 Å²	109	86.5 Å²	86.5	51%	0.509	49%	0.489	S	S	.	.			trans	-75.7	111.6	-175.9	-153.7	175.9	-144.9	0	0	112.1	W431	E398-W431 HydrophobicContact CG-CZ2 4.24Å; E398-W431 PolarHBondContact O-NE1 3.09Å
399	Q	75	Confident	65.2	Low	84 Å²	84	82.2 Å²	82.2	39%	0.393	46%	0.462	S	S	.	.			trans	-105.8	156.8	179.3	-73.2	-170	-6.2	0	0	111.7	E397 W431 G591 T596	E397-Q399 PolarHBondContact O-N 3.43Å; Q399-W431 WeakPolarHBondContact O-CZ2 3.43Å; Q399-G591 PolarHBondContact NE2-O 3.48Å; Q399-T596 HydrophobicContact CB-CG2 3.87Å; Q399-T596 HydrophobicContact CG-CG2 3.61Å; Q399-T596 VanDerWaalsContact OE1-CG2 3.29Å
400	E	83.4	Confident	68.3	Low	1 Å²	1	78.6 Å²	78.6	1%	0.005	43%	0.432	C	S	.	.			trans	-67.1	144.6	175.9	68.7	-85.5	-116.5	0	0	111.7	P402 Y405 Y410 K428 W431 T436 T596	E400-P402 VanDerWaalsContact O-CD 3.28Å; E400-P402 WeakPolarHBondContact O-CD 3.28Å; E400-Y405 HydrophobicContact CG-CE2 3.79Å; E400-Y405 PolarHBondContact OE1-OH 2.64Å; E400-Y410 HydrophobicContact CB-CD2 4.44Å; E400-Y410 HydrophobicContact CB-CE2 3.66Å; E400-Y410 HydrophobicContact CG-CD2 3.98Å; E400-Y410 HydrophobicContact CG-CE2 3.71Å; E400-K428 IonicContact OE1-NZ 3.9Å; E400-K428 PolarHBondContact OE1-NZ 3.26Å; E400-K428 IonicContact OE2-NZ 2.99Å; E400-K428 PolarHBondContact OE2-NZ 3.35Å; E400-W431 HydrophobicContact CB-CD2 3.68Å; E400-W431 HydrophobicContact CB-CE3 3.48Å; E400-W431 VanDerWaalsContact CB-CE3 3.48Å; E400-W431 HydrophobicContact CB-CG 4.27Å; E400-W431 HydrophobicContact CB-CH2 4.3Å; E400-W431 HydrophobicContact CB-CZ2 4.47Å; E400-W431 HydrophobicContact CB-CZ3 3.81Å; E400-T436 WeakPolarHBondContact OE1-CG2 3.33Å; E400-T596 PolarHBondContact OE1-OG1 2.92Å; E400-T596 WeakPolarHBondContact OE2-CB 3.07Å; E400-T596 WeakPolarHBondContact OE2-CG2 3.31Å; E400-T596 PolarHBondContact OE2-OG1 3.33Å
401	D	84.1	Confident	71.3	Confident	87 Å²	87	71.3 Å²	71.3	47%	0.465	40%	0.396	S	S	.	.			trans	-57	120	-178.8	-171.7	-40.5	0	0	0	110.6	S403 D404	D401-S403 VanDerWaalsContact CG-OG 3.23Å; D401-S403 PolarHBondContact O-N 3.42Å; D401-S403 WeakPolarHBondContact OD1-CA 3.3Å; D401-S403 VanDerWaalsContact OD1-CB 3.23Å; D401-S403 WeakPolarHBondContact OD1-CB 3.41Å; D401-S403 PolarHBondContact OD1-N 2.87Å; D401-S403 PolarHBondContact OD1-OG 3.31Å; D401-S403 PolarHBondContact OD2-OG 2.74Å; D401-D404 WeakPolarHBondContact O-CB 3.4Å; D401-D404 PolarHBondContact O-N 3.29Å
402	P	87.1	Confident	74.2	Confident	86 Å²	86	65.5 Å²	65.5	56%	0.558	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-59	-20.9	-179.8	-27.7	37	0	0	0	114.4	E400 D404 Y405	E400-P402 VanDerWaalsContact O-CD 3.28Å; E400-P402 WeakPolarHBondContact O-CD 3.28Å; P402-D404 VanDerWaalsContact C-N 3.34Å; P402-Y405 PolarHBondContact O-N 3.26Å
403	S	87.9	Confident	77.1	Confident	82 Å²	82	59 Å²	59	57%	0.573	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-75	-20	176.2	72.6	0	0	0	0	113.9	D401 Y405 C406	D401-S403 VanDerWaalsContact CG-OG 3.23Å; D401-S403 PolarHBondContact O-N 3.42Å; D401-S403 WeakPolarHBondContact OD1-CA 3.3Å; D401-S403 VanDerWaalsContact OD1-CB 3.23Å; D401-S403 WeakPolarHBondContact OD1-CB 3.41Å; D401-S403 PolarHBondContact OD1-N 2.87Å; D401-S403 PolarHBondContact OD1-OG 3.31Å; D401-S403 PolarHBondContact OD2-OG 2.74Å; S403-Y405 PolarHBondContact O-N 2.59Å; S403-C406 PolarHBondContact O-SG 2.99Å
404	D	91.9	Very high	80.1	Confident	43 Å²	43	58.5 Å²	58.5	23%	0.23	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-70.5	-6.8	170.7	-100.5	-35.2	0	0	0	112.7	D401 P402 C406 G409 Y410 K455	D401-D404 WeakPolarHBondContact O-CB 3.4Å; D401-D404 PolarHBondContact O-N 3.29Å; P402-D404 VanDerWaalsContact C-N 3.34Å; D404-C406 PolarHBondContact O-N 2.84Å; D404-G409 CarbonylContact O-C 3.5Å; D404-G409 WeakPolarHBondContact O-CA 3.48Å; D404-Y410 HydrophobicContact CB-CD2 3.44Å; D404-Y410 VanDerWaalsContact CB-CD2 3.44Å; D404-Y410 HydrophobicContact CB-CE2 3.34Å; D404-Y410 PolarHBondContact O-N 2.71Å; D404-Y410 WeakPolarHBondContact OD2-CE2 3.2Å; D404-K455 IonicContact OD1-NZ 3.74Å; D404-K455 PolarHBondContact OD1-NZ 2.82Å; D404-K455 IonicContact OD2-NZ 2.65Å; D404-K455 PolarHBondContact OD2-NZ 2.86Å
405	Y	92.8	Very high	82.7	Confident	21 Å²	21	58.2 Å²	58.2	8%	0.082	31%	0.306	C	S	.	.	S	Bend	trans	-79.8	36.8	171.4	-75.3	-79.5	0	0	0	113.3	E400 P402 S403 Y410 Y411 P412 N500 T596 A597 P598	E400-Y405 HydrophobicContact CG-CE2 3.79Å; E400-Y405 PolarHBondContact OE1-OH 2.64Å; P402-Y405 PolarHBondContact O-N 3.26Å; S403-Y405 PolarHBondContact O-N 2.59Å; Y405-Y410 HydrophobicContact CE1-CG 4.42Å; Y405-Y410 HydrophobicContact CE2-CD2 4.34Å; Y405-Y411 WeakPolarHBondContact CE1-O 3.44Å; Y405-P412 HydrophobicContact CD1-CB 4.22Å; Y405-P412 HydrophobicContact CE1-CB 4.4Å; Y405-N500 PolarHBondContact O-ND2 2.96Å; Y405-N500 PolarHBondContact O-OD1 2.84Å; Y405-T596 PolarHBondContact OH-OG1 3.04Å; Y405-A597 HydrophobicContact CD1-CB 4.1Å; Y405-A597 HydrophobicContact CE1-CB 3.57Å; Y405-A597 HydrophobicContact CE2-CB 4.17Å; Y405-P598 HydrophobicContact CD2-CG 4.49Å; Y405-P598 HydrophobicContact CG-CG 4.44Å
406	C	93.1	Very high	84.9	Confident	66 Å²	66	56.5 Å²	56.5	45%	0.446	30%	0.298	S	S	.	.	S	Bend	trans	-105.7	178.7	178.4	63.4	0	0	0	0	112.8	S403 D404 G408 G409 N500	S403-C406 PolarHBondContact O-SG 2.99Å; D404-C406 PolarHBondContact O-N 2.84Å; C406-G408 PolarHBondContact O-N 3.49Å; C406-G409 WeakPolarHBondContact O-CA 3.44Å; C406-G409 PolarHBondContact O-N 2.77Å; C406-N500 VanDerWaalsContact C-CG 3.4Å; C406-N500 VanDerWaalsContact C-OD1 3.3Å; C406-N500 VanDerWaalsContact O-CB 3.26Å; C406-N500 WeakPolarHBondContact O-CB 3.47Å; C406-N500 PolarHBondContact O-ND2 2.95Å; C406-N500 PolarHBondContact O-OD1 3.14Å
407	K	94.7	Very high	87	Confident	190 Å²	190	54.2 Å²	54.2	83%	0.826	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	124	179.6	-174.9	-173.4	176.8	-175.3	0	111.4	G409 N500	K407-G409 VanDerWaalsContact C-N 3.29Å; K407-N500 CarbonylContact C-O 3.59Å; K407-N500 WeakPolarHBondContact CA-O 3.49Å; K407-N500 WeakPolarHBondContact CG-O 3.25Å
408	G	94.6	Very high	89.3	Confident	17 Å²	17	49.4 Å²	49.4	18%	0.175	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-11.4	-170.8	0	0	0	0	0	114.2	C406 S456 A457 N500	C406-G408 PolarHBondContact O-N 3.49Å; G408-S456 VanDerWaalsContact C-OG 3.25Å; G408-S456 WeakPolarHBondContact CA-OG 3.16Å; G408-S456 PolarHBondContact N-OG 2.87Å; G408-S456 CarbonylContact O-C 3.5Å; G408-S456 PolarHBondContact O-N 2.77Å; G408-S456 VanDerWaalsContact O-N 3.11Å; G408-A457 WeakPolarHBondContact O-CB 3.39Å; G408-A457 PolarHBondContact O-N 3.14Å; G408-N500 PolarHBondContact N-O 2.84Å
409	G	95.3	Very high	90.8	Very high	4 Å²	4	44.9 Å²	44.9	4%	0.041	24%	0.244	C	C	.	.	S	Bend	trans	-90	-152	177.8	0	0	0	0	0	113.8	D404 C406 K407 K455 S456 H503	D404-G409 CarbonylContact O-C 3.5Å; D404-G409 WeakPolarHBondContact O-CA 3.48Å; C406-G409 WeakPolarHBondContact O-CA 3.44Å; C406-G409 PolarHBondContact O-N 2.77Å; K407-G409 VanDerWaalsContact C-N 3.29Å; G409-K455 VanDerWaalsContact O-CA 3.31Å; G409-K455 WeakPolarHBondContact O-CA 3.24Å; G409-S456 PolarHBondContact O-N 2.92Å; G409-S456 PolarHBondContact O-OG 2.88Å; G409-S456 VanDerWaalsContact O-OG 3.13Å; G409-H503 PolarHBondContact O-CE1 3.45Å
410	Y	96.2	Very high	91.8	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	25%	0.248	C	C	.	.			trans	-68.5	156.9	-173.4	-64	-61.9	0	0	0	113.4	E400 D404 Y405 G432 T436 K455 N500 H503	E400-Y410 HydrophobicContact CB-CD2 4.44Å; E400-Y410 HydrophobicContact CB-CE2 3.66Å; E400-Y410 HydrophobicContact CG-CD2 3.98Å; E400-Y410 HydrophobicContact CG-CE2 3.71Å; D404-Y410 HydrophobicContact CB-CD2 3.44Å; D404-Y410 VanDerWaalsContact CB-CD2 3.44Å; D404-Y410 HydrophobicContact CB-CE2 3.34Å; D404-Y410 PolarHBondContact O-N 2.71Å; D404-Y410 WeakPolarHBondContact OD2-CE2 3.2Å; Y405-Y410 HydrophobicContact CE1-CG 4.42Å; Y405-Y410 HydrophobicContact CE2-CD2 4.34Å; Y410-G432 PolarHBondContact OH-O 3.05Å; Y410-G432 VanDerWaalsContact OH-O 3.13Å; Y410-T436 HydrophobicContact CD1-CG2 3.95Å; Y410-T436 HydrophobicContact CE1-CG2 4.16Å; Y410-T436 HydrophobicContact CG-CG2 4.48Å; Y410-K455 HydrophobicContact CD1-CD 4.27Å; Y410-K455 HydrophobicContact CD1-CG 3.6Å; Y410-K455 HydrophobicContact CE1-CD 4.16Å; Y410-K455 HydrophobicContact CE1-CG 3.86Å; Y410-K455 HydrophobicContact CG-CG 4.2Å; Y410-N500 PolarHBondContact O-ND2 2.94Å; Y410-H503 VanDerWaalsContact C-CE1 3.48Å
411	Y	95.8	Very high	92.2	Very high	40 Å²	40	47.9 Å²	47.9	16%	0.157	28%	0.276	C	S	.	.			trans	-86.7	132	167.9	-170.2	-82.4	0	0	0	110.2	Y405 V413 F419 I496 H503	Y405-Y411 WeakPolarHBondContact CE1-O 3.44Å; Y411-V413 VanDerWaalsContact C-N 3.26Å; Y411-V413 HydrophobicContact CD1-CB 4.42Å; Y411-V413 HydrophobicContact CD1-CG2 3.63Å; Y411-V413 HydrophobicContact CE1-CG2 4.42Å; Y411-V413 HydrophobicContact CG-CG2 4.44Å; Y411-V413 PolarHBondContact O-N 2.92Å; Y411-F419 HydrophobicContact CD1-CZ 4.41Å; Y411-F419 AromaticContact CE1-CE1 3.93Å; Y411-F419 HydrophobicContact CE1-CE1 3.93Å; Y411-F419 AromaticContact CE1-CZ 3.79Å; Y411-F419 HydrophobicContact CE1-CZ 3.79Å; Y411-I496 HydrophobicContact CD1-CD1 3.99Å; Y411-I496 HydrophobicContact CD2-CD1 3.48Å; Y411-I496 VanDerWaalsContact CD2-CD1 3.48Å; Y411-I496 HydrophobicContact CD2-CG1 3.89Å; Y411-I496 HydrophobicContact CE1-CD1 4.1Å; Y411-I496 HydrophobicContact CE2-CB 4.47Å; Y411-I496 HydrophobicContact CE2-CD1 3.57Å; Y411-I496 HydrophobicContact CE2-CG1 3.89Å; Y411-I496 HydrophobicContact CG-CD1 3.69Å; Y411-H503 AromaticContact CD2-CD2 3.57Å; Y411-H503 AromaticContact CD2-NE2 3.73Å; Y411-H503 PolarHBondContact N-CE1 2.74Å; Y411-H503 VanDerWaalsContact N-CE1 3.34Å
412	P	93.9	Very high	92.8	Very high	22 Å²	22	45.2 Å²	45.2	14%	0.143	26%	0.259	C	S	.	.			trans	-76.1	71.9	178.1	32.8	-36.4	0	0	0	112.3	Y405 K414 I499 A597	Y405-P412 HydrophobicContact CD1-CB 4.22Å; Y405-P412 HydrophobicContact CE1-CB 4.4Å; P412-K414 PolarHBondContact O-N 2.95Å; P412-I499 HydrophobicContact CG-CD1 4.44Å; P412-I499 HydrophobicContact CG-CG1 4.43Å; P412-A597 HydrophobicContact CB-CB 3.75Å
413	V	93.1	Very high	93.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.233	C	C	.	.			trans	-67.1	125.3	178.3	177.1	0	0	0	0	109.9	Y411 F419 V425 W438 V453 S595	Y411-V413 VanDerWaalsContact C-N 3.26Å; Y411-V413 HydrophobicContact CD1-CB 4.42Å; Y411-V413 HydrophobicContact CD1-CG2 3.63Å; Y411-V413 HydrophobicContact CE1-CG2 4.42Å; Y411-V413 HydrophobicContact CG-CG2 4.44Å; Y411-V413 PolarHBondContact O-N 2.92Å; V413-F419 HydrophobicContact CG1-CE2 4.09Å; V413-F419 HydrophobicContact CG1-CZ 4.5Å; V413-F419 HydrophobicContact CG2-CZ 4.41Å; V413-V425 HydrophobicContact CG1-CG1 4.18Å; V413-V425 HydrophobicContact CG1-CG2 4.06Å; V413-W438 HydrophobicContact CB-CD2 4.2Å; V413-W438 HydrophobicContact CB-CH2 4.24Å; V413-W438 HydrophobicContact CB-CZ2 3.65Å; V413-W438 HydrophobicContact CG1-CD2 3.59Å; V413-W438 HydrophobicContact CG1-CE3 3.93Å; V413-W438 HydrophobicContact CG1-CG 4.06Å; V413-W438 HydrophobicContact CG1-CH2 4.17Å; V413-W438 HydrophobicContact CG1-CZ2 3.88Å; V413-W438 HydrophobicContact CG1-CZ3 4.19Å; V413-V453 HydrophobicContact CG2-CG1 4.44Å; V413-V453 HydrophobicContact CG2-CG2 4.28Å; V413-S595 PolarHBondContact O-OG 2.96Å
414	K	90.2	Very high	93.6	Very high	53 Å²	53	37.6 Å²	37.6	23%	0.23	21%	0.207	C	C	.	.			trans	-112.2	144	178.8	-64.6	163.5	-177.3	171.9	0	110.3	P412 G416 D417 D600	P412-K414 PolarHBondContact O-N 2.95Å; K414-G416 PolarHBondContact O-N 3.04Å; K414-D417 WeakPolarHBondContact CB-OD2 3.48Å; K414-D417 PolarHBondContact N-OD2 2.93Å; K414-D417 VanDerWaalsContact O-CB 3.29Å; K414-D417 WeakPolarHBondContact O-CB 3.38Å; K414-D417 PolarHBondContact O-N 3.18Å; K414-D600 IonicContact NZ-OD1 3.05Å; K414-D600 PolarHBondContact NZ-OD1 3.37Å; K414-D600 IonicContact NZ-OD2 2.73Å; K414-D600 PolarHBondContact NZ-OD2 2.59Å
415	I	87.8	Confident	93.8	Very high	54 Å²	54	35.6 Å²	35.6	28%	0.277	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	136.6	177.8	-69.1	175.1	0	0	0	110	D417 W438 Q582	I415-D417 VanDerWaalsContact C-N 3.3Å; I415-D417 PolarHBondContact O-N 3.02Å; I415-W438 HydrophobicContact CG1-CZ3 4.27Å; I415-Q582 HydrophobicContact CG2-CG 4.17Å
416	G	86.9	Confident	93.7	Very high	7 Å²	7	34.7 Å²	34.7	7%	0.072	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	13.7	-173.3	0	0	0	0	0	115.1	K414 V425 Q621	K414-G416 PolarHBondContact O-N 3.04Å; G416-V425 WeakPolarHBondContact CA-O 3.31Å; G416-V425 PolarHBondContact N-O 3.5Å; G416-Q621 VanDerWaalsContact C-NE2 3.28Å; G416-Q621 WeakPolarHBondContact O-CG 3.18Å; G416-Q621 PolarHBondContact O-NE2 2.98Å
417	D	91.8	Very high	93.5	Very high	28 Å²	28	33 Å²	33	15%	0.15	18%	0.177	C	C	.	.			trans	-70.6	158.6	162.4	-78.9	-27.7	0	0	0	111.1	K414 I415 F419 H424 V425 K617	K414-D417 WeakPolarHBondContact CB-OD2 3.48Å; K414-D417 PolarHBondContact N-OD2 2.93Å; K414-D417 VanDerWaalsContact O-CB 3.29Å; K414-D417 WeakPolarHBondContact O-CB 3.38Å; K414-D417 PolarHBondContact O-N 3.18Å; I415-D417 VanDerWaalsContact C-N 3.3Å; I415-D417 PolarHBondContact O-N 3.02Å; D417-F419 HydrophobicContact CB-CE2 3.82Å; D417-F419 HydrophobicContact CB-CZ 4.16Å; D417-H424 WeakPolarHBondContact O-CA 3.32Å; D417-V425 HydrophobicContact CB-CG2 4.4Å; D417-V425 PolarHBondContact O-N 3.29Å; D417-K617 WeakPolarHBondContact OD1-CE 3.48Å; D417-K617 IonicContact OD1-NZ 3.16Å; D417-K617 PolarHBondContact OD1-NZ 3.33Å
418	L	94.4	Very high	93.3	Very high	43 Å²	43	24 Å²	24	23%	0.225	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	108.3	-176.3	176.3	63.3	0	0	0	109.8	Y423 H424 L443 L624	L418-Y423 CarbonylContact C-O 3.57Å; L418-Y423 WeakPolarHBondContact CA-O 3.45Å; L418-H424 HydrophobicContact CD1-CB 4.29Å; L418-L443 HydrophobicContact CD1-CD1 3.64Å; L418-L624 HydrophobicContact CD2-CD1 4.04Å
419	F	96.5	Very high	93.1	Very high	14 Å²	14	24.1 Å²	24.1	6%	0.061	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	149.8	-178.8	-66.1	-76.3	0	0	0	112.2	Y411 V413 D417 G421 R422 Y423 V425 M451 F494 I496	Y411-F419 HydrophobicContact CD1-CZ 4.41Å; Y411-F419 AromaticContact CE1-CE1 3.93Å; Y411-F419 HydrophobicContact CE1-CE1 3.93Å; Y411-F419 AromaticContact CE1-CZ 3.79Å; Y411-F419 HydrophobicContact CE1-CZ 3.79Å; V413-F419 HydrophobicContact CG1-CE2 4.09Å; V413-F419 HydrophobicContact CG1-CZ 4.5Å; V413-F419 HydrophobicContact CG2-CZ 4.41Å; D417-F419 HydrophobicContact CB-CE2 3.82Å; D417-F419 HydrophobicContact CB-CZ 4.16Å; F419-G421 PolarHBondContact O-N 2.88Å; F419-R422 PolarHBondContact O-N 3.18Å; F419-Y423 PolarHBondContact N-O 3.41Å; F419-Y423 PolarHBondContact O-N 2.92Å; F419-V425 HydrophobicContact CD2-CG2 3.83Å; F419-V425 HydrophobicContact CE2-CG2 3.71Å; F419-M451 HydrophobicContact CB-SD 4.16Å; F419-M451 HydrophobicContact CD2-CE 3.64Å; F419-M451 HydrophobicContact CD2-SD 4.02Å; F419-M451 HydrophobicContact CE2-CE 3.96Å; F419-M451 HydrophobicContact CG-CE 4.39Å; F419-M451 HydrophobicContact CG-SD 4.25Å; F419-F494 HydrophobicContact CB-CE2 3.93Å; F419-F494 HydrophobicContact CB-CZ 3.88Å; F419-I496 HydrophobicContact CD1-CD1 4.15Å; F419-I496 HydrophobicContact CD1-CG2 3.83Å; F419-I496 HydrophobicContact CE1-CD1 3.72Å; F419-I496 HydrophobicContact CE1-CG2 4.35Å; F419-I496 HydrophobicContact CZ-CD1 4.42Å
420	N	95.8	Very high	92.7	Very high	91 Å²	91	24.2 Å²	24.2	49%	0.487	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	23.6	-173.9	-152	16.1	0	0	0	115	R422 Y423 F494	N420-R422 PolarHBondContact O-N 2.84Å; N420-R422 VanDerWaalsContact O-N 3.09Å; N420-Y423 HydrophobicContact CB-CD2 4.17Å; N420-Y423 HydrophobicContact CB-CE2 4.43Å; N420-F494 HydrophobicContact CB-CD1 4Å; N420-F494 HydrophobicContact CB-CD2 4.25Å; N420-F494 HydrophobicContact CB-CE1 4.01Å; N420-F494 HydrophobicContact CB-CE2 4.27Å; N420-F494 HydrophobicContact CB-CG 4.13Å; N420-F494 HydrophobicContact CB-CZ 4.15Å
421	G	93.4	Very high	92.3	Very high	57 Å²	57	26.6 Å²	26.6	59%	0.588	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	2.5	-170.8	0	0	0	0	0	115.8	F419	F419-G421 PolarHBondContact O-N 2.88Å
422	R	96.2	Very high	91.8	Very high	31 Å²	31	24.8 Å²	24.8	12%	0.117	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-39.6	-162.7	176.7	177.6	177.4	-168.4	1.8	113.7	F419 N420 D442 L443 Q444 D492	F419-R422 PolarHBondContact O-N 3.18Å; N420-R422 PolarHBondContact O-N 2.84Å; N420-R422 VanDerWaalsContact O-N 3.09Å; R422-D442 VanDerWaalsContact CG-OD1 3.31Å; R422-D442 WeakPolarHBondContact CG-OD1 3.2Å; R422-D442 IonicContact CZ-OD1 3.24Å; R422-D442 IonicContact CZ-OD2 3.3Å; R422-D442 VanDerWaalsContact CZ-OD2 3.27Å; R422-D442 VanDerWaalsContact NE-CG 3.31Å; R422-D442 IonicContact NE-OD1 3.26Å; R422-D442 PolarHBondContact NE-OD1 2.98Å; R422-D442 IonicContact NE-OD2 2.72Å; R422-D442 PolarHBondContact NE-OD2 2.87Å; R422-D442 IonicContact NH2-OD1 3.54Å; R422-D442 IonicContact NH2-OD2 2.73Å; R422-D442 PolarHBondContact NH2-OD2 2.87Å; R422-L443 WeakPolarHBondContact O-CB 3.31Å; R422-L443 WeakPolarHBondContact O-CG 3.42Å; R422-L443 PolarHBondContact O-N 3.09Å; R422-Q444 HydrophobicContact CG-CB 4.42Å; R422-Q444 HydrophobicContact CG-CG 4.01Å; R422-D492 IonicContact NH1-OD2 2.67Å; R422-D492 PolarHBondContact NH1-OD2 3.03Å
423	Y	97.6	Very high	91.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	106.4	-169.3	-61.3	-64.9	0	0	0	112.1	L418 F419 N420 W441 D442 V449 D492 F494 V507	L418-Y423 CarbonylContact C-O 3.57Å; L418-Y423 WeakPolarHBondContact CA-O 3.45Å; F419-Y423 PolarHBondContact N-O 3.41Å; F419-Y423 PolarHBondContact O-N 2.92Å; N420-Y423 HydrophobicContact CB-CD2 4.17Å; N420-Y423 HydrophobicContact CB-CE2 4.43Å; Y423-W441 WeakPolarHBondContact CA-O 3.27Å; Y423-D442 HydrophobicContact CD1-CB 4.22Å; Y423-D442 HydrophobicContact CE1-CB 3.95Å; Y423-V449 HydrophobicContact CD1-CG2 3.69Å; Y423-V449 HydrophobicContact CE1-CG2 3.81Å; Y423-D492 HydrophobicContact CE2-CB 4.39Å; Y423-D492 WeakPolarHBondContact CE2-OD2 3.23Å; Y423-D492 WeakPolarHBondContact OH-CB 3.41Å; Y423-D492 PolarHBondContact OH-OD2 2.91Å; Y423-D492 VanDerWaalsContact OH-OD2 3.08Å; Y423-F494 AromaticContact CD2-CE1 3.64Å; Y423-F494 HydrophobicContact CD2-CE1 3.64Å; Y423-F494 HydrophobicContact CD2-CZ 4.03Å; Y423-F494 HydrophobicContact CE2-CD1 4.41Å; Y423-F494 AromaticContact CE2-CE1 3.71Å; Y423-F494 HydrophobicContact CE2-CE1 3.71Å; Y423-V507 HydrophobicContact CD1-CG1 4.48Å; Y423-V507 HydrophobicContact CD2-CG2 4.22Å; Y423-V507 HydrophobicContact CE1-CG1 3.83Å; Y423-V507 HydrophobicContact CE1-CG2 4.35Å; Y423-V507 HydrophobicContact CE2-CG2 3.76Å
424	H	94.6	Very high	91.3	Very high	7 Å²	7	30.4 Å²	30.4	3%	0.032	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.1	-178.4	-175.5	-148.1	0	0	0	110.5	D417 L418 V426 C440 W441	D417-H424 WeakPolarHBondContact O-CA 3.32Å; L418-H424 HydrophobicContact CD1-CB 4.29Å; H424-V426 PolarHBondContact O-N 3.25Å; H424-C440 CarbonylContact O-C 3.54Å; H424-C440 VanDerWaalsContact O-CA 3.29Å; H424-C440 WeakPolarHBondContact O-CA 3.27Å; H424-W441 HydrophobicContact CB-CB 4.44Å; H424-W441 PolarHBondContact N-O 3.08Å; H424-W441 PolarHBondContact O-N 3.26Å
425	V	94.3	Very high	91.5	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	123.6	-174.4	-178.1	0	0	0	0	111.8	V413 G416 D417 F419 W438 M451	V413-V425 HydrophobicContact CG1-CG1 4.18Å; V413-V425 HydrophobicContact CG1-CG2 4.06Å; G416-V425 WeakPolarHBondContact CA-O 3.31Å; G416-V425 PolarHBondContact N-O 3.5Å; D417-V425 HydrophobicContact CB-CG2 4.4Å; D417-V425 PolarHBondContact O-N 3.29Å; F419-V425 HydrophobicContact CD2-CG2 3.83Å; F419-V425 HydrophobicContact CE2-CG2 3.71Å; V425-W438 HydrophobicContact CG1-CB 4.47Å; V425-W438 HydrophobicContact CG1-CD2 4.25Å; V425-W438 HydrophobicContact CG1-CE3 3.52Å; V425-W438 HydrophobicContact CG1-CZ3 4.17Å; V425-M451 HydrophobicContact CG2-CE 4.16Å
426	V	91.3	Very high	91.8	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-55.7	-178	-177	0	0	0	0	112	H424 L439 W441 F448 A575 A578 Q582	H424-V426 PolarHBondContact O-N 3.25Å; V426-L439 HydrophobicContact CB-CB 4.46Å; V426-L439 HydrophobicContact CB-CD2 4.39Å; V426-L439 HydrophobicContact CB-CG 4.34Å; V426-L439 WeakPolarHBondContact CB-O 3.49Å; V426-L439 HydrophobicContact CG1-CD2 4.33Å; V426-L439 PolarHBondContact N-O 2.97Å; V426-W441 HydrophobicContact CG2-CB 4.38Å; V426-F448 HydrophobicContact CG2-CE1 4.31Å; V426-A575 HydrophobicContact CG1-CB 4.13Å; V426-A578 HydrophobicContact CG1-CB 4.04Å; V426-Q582 PolarHBondContact O-NE2 3.48Å
427	R	89.8	Confident	92.2	Very high	30 Å²	30	25.4 Å²	25.4	11%	0.113	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	164.6	179	64.8	175.2	-130.8	112.6	5.3	110.8	L439 A578 S593	R427-L439 HydrophobicContact CG-CB 3.76Å; R427-L439 HydrophobicContact CG-CD2 3.93Å; R427-L439 HydrophobicContact CG-CG 4.5Å; R427-L439 PolarHBondContact N-O 3.3Å; R427-L439 PolarHBondContact O-N 3.11Å; R427-A578 HydrophobicContact CB-CB 4Å; R427-A578 HydrophobicContact CG-CB 4.38Å; R427-S593 PolarHBondContact NH1-OG 3.5Å
428	K	90.8	Very high	92.4	Very high	1 Å²	1	24 Å²	24	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	143.4	165.2	-167.6	168.4	162.3	-174	0	109.3	E400 G430 W438 S592 S593	E400-K428 IonicContact OE1-NZ 3.9Å; E400-K428 PolarHBondContact OE1-NZ 3.26Å; E400-K428 IonicContact OE2-NZ 2.99Å; E400-K428 PolarHBondContact OE2-NZ 3.35Å; K428-G430 VanDerWaalsContact CE-O 3.26Å; K428-G430 WeakPolarHBondContact CE-O 3.5Å; K428-W438 HydrophobicContact CB-CD2 4.35Å; K428-W438 HydrophobicContact CB-CE3 3.88Å; K428-W438 HydrophobicContact CB-CH2 3.91Å; K428-W438 HydrophobicContact CB-CZ2 4.35Å; K428-W438 HydrophobicContact CB-CZ3 3.66Å; K428-W438 HydrophobicContact CD-CH2 4.07Å; K428-W438 HydrophobicContact CD-CZ2 3.99Å; K428-W438 HydrophobicContact CG-CD2 4.41Å; K428-W438 HydrophobicContact CG-CE3 4.42Å; K428-W438 HydrophobicContact CG-CH2 4.18Å; K428-W438 HydrophobicContact CG-CZ2 4.14Å; K428-W438 HydrophobicContact CG-CZ3 4.32Å; K428-S592 WeakPolarHBondContact CD-O 3.29Å; K428-S593 PolarHBondContact N-O 3.31Å
429	L	89.4	Confident	92.5	Very high	21 Å²	21	22 Å²	22	11%	0.11	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-36.4	172.6	-70.9	175.1	0	0	0	111.5	V437 L439 A450 L574	L429-V437 HydrophobicContact CB-CG1 4.29Å; L429-V437 HydrophobicContact CD1-CG1 4.37Å; L429-V437 PolarHBondContact N-O 3.34Å; L429-L439 HydrophobicContact CD1-CB 4.03Å; L429-L439 HydrophobicContact CD1-CD1 4.37Å; L429-L439 HydrophobicContact CD2-CB 3.97Å; L429-L439 HydrophobicContact CG-CB 3.86Å; L429-A450 HydrophobicContact CD1-CB 4.04Å; L429-L574 HydrophobicContact CD2-CD2 4.23Å
430	G	87	Confident	92.5	Very high	5 Å²	5	21.3 Å²	21.3	5%	0.052	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	-177.5	-178	0	0	0	0	0	113.1	I3 K428 V437	I3-G430 WeakPolarHBondContact O-CA 3.47Å; K428-G430 VanDerWaalsContact CE-O 3.26Å; K428-G430 WeakPolarHBondContact CE-O 3.5Å; G430-V437 PolarHBondContact N-O 2.71Å; G430-V437 PolarHBondContact O-N 3.05Å
431	W	88.6	Confident	92.5	Very high	52 Å²	52	17 Å²	17	20%	0.197	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	159.3	174.9	68.7	-80.6	0	0	0	110.5	E398 Q399 E400 T436	E398-W431 HydrophobicContact CG-CZ2 4.24Å; E398-W431 PolarHBondContact O-NE1 3.09Å; Q399-W431 WeakPolarHBondContact O-CZ2 3.43Å; E400-W431 HydrophobicContact CB-CD2 3.68Å; E400-W431 HydrophobicContact CB-CE3 3.48Å; E400-W431 VanDerWaalsContact CB-CE3 3.48Å; E400-W431 HydrophobicContact CB-CG 4.27Å; E400-W431 HydrophobicContact CB-CH2 4.3Å; E400-W431 HydrophobicContact CB-CZ2 4.47Å; E400-W431 HydrophobicContact CB-CZ3 3.81Å; W431-T436 HydrophobicContact CB-CG2 4.09Å
432	G	84.7	Confident	92.7	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.01	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	172.9	169.3	0	0	0	0	0	110.4	Y410 F434 S435	Y410-G432 PolarHBondContact OH-O 3.05Å; Y410-G432 VanDerWaalsContact OH-O 3.13Å; G432-F434 PolarHBondContact O-N 2.72Å; G432-S435 PolarHBondContact N-O 3.37Å; G432-S435 PolarHBondContact O-N 2.99Å
433	H	85.3	Confident	92.5	Very high	87 Å²	87	14.1 Å²	14.1	40%	0.403	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-24.2	-169.2	175.8	-107	0	0	0	115.4	K455 Y460	H433-K455 WeakPolarHBondContact O-CD 3.26Å; H433-K455 WeakPolarHBondContact O-CE 3.49Å; H433-K455 PolarHBondContact O-NZ 2.94Å; H433-Y460 PolarHBondContact CE1-OH 3.43Å; H433-Y460 VanDerWaalsContact CE1-OH 3.3Å
434	F	91	Very high	92.3	Very high	54 Å²	54	20.3 Å²	20.3	24%	0.237	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-19.5	179.3	-48.9	-47	0	0	0	115.3	V6 G7 G432 K455 Y460	V6-F434 HydrophobicContact CG1-CB 3.88Å; V6-F434 HydrophobicContact CG1-CD2 3.67Å; V6-F434 HydrophobicContact CG1-CG 4.08Å; G7-F434 WeakPolarHBondContact O-CE2 3.45Å; G432-F434 PolarHBondContact O-N 2.72Å; F434-K455 PolarHBondContact O-N 3.34Å; F434-Y460 AromaticContact CD1-CD1 3.7Å; F434-Y460 HydrophobicContact CD1-CD1 3.7Å; F434-Y460 AromaticContact CD1-CE1 3.28Å; F434-Y460 HydrophobicContact CD1-CE1 3.28Å; F434-Y460 HydrophobicContact CE1-CD1 4.26Å; F434-Y460 AromaticContact CE1-CE1 3.59Å; F434-Y460 HydrophobicContact CE1-CE1 3.59Å; F434-Y460 HydrophobicContact CG-CD1 4.41Å; F434-Y460 HydrophobicContact CG-CE1 4.37Å
435	S	94.5	Very high	92.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	166.9	-170.5	76.3	0	0	0	0	114.8	V6 G432 V453	V6-S435 WeakPolarHBondContact CG2-OG 3.26Å; G432-S435 PolarHBondContact N-O 3.37Å; G432-S435 PolarHBondContact O-N 2.99Å; S435-V453 VanDerWaalsContact CA-O 3.29Å; S435-V453 WeakPolarHBondContact CA-O 3.23Å; S435-V453 VanDerWaalsContact CB-O 3.31Å; S435-V453 WeakPolarHBondContact CB-O 3.32Å
436	T	94.8	Very high	92.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.9	170.1	59.9	0	0	0	0	110.2	E400 Y410 W431 W438 V453	E400-T436 WeakPolarHBondContact OE1-CG2 3.33Å; Y410-T436 HydrophobicContact CD1-CG2 3.95Å; Y410-T436 HydrophobicContact CE1-CG2 4.16Å; Y410-T436 HydrophobicContact CG-CG2 4.48Å; W431-T436 HydrophobicContact CB-CG2 4.09Å; T436-W438 PolarHBondContact OG1-NE1 3.12Å; T436-V453 PolarHBondContact N-O 3.04Å; T436-V453 PolarHBondContact O-N 3.16Å
437	V	95.4	Very high	92.3	Very high	8 Å²	8	35 Å²	35	5%	0.048	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.6	-174.5	-172.6	0	0	0	0	110.3	A4 L429 G430 A450 M451 K452	A4-V437 HydrophobicContact CB-CB 4.39Å; A4-V437 HydrophobicContact CB-CG1 4.42Å; A4-V437 HydrophobicContact CB-CG2 4.16Å; L429-V437 HydrophobicContact CB-CG1 4.29Å; L429-V437 HydrophobicContact CD1-CG1 4.37Å; L429-V437 PolarHBondContact N-O 3.34Å; G430-V437 PolarHBondContact N-O 2.71Å; G430-V437 PolarHBondContact O-N 3.05Å; V437-A450 HydrophobicContact CG1-CB 4.27Å; V437-M451 WeakPolarHBondContact CA-O 3.47Å; V437-K452 HydrophobicContact CG2-CB 4.29Å; V437-K452 HydrophobicContact CG2-CG 4.25Å
438	W	96.1	Very high	92.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.5	-168.2	-64	84.5	0	0	0	112.5	V413 I415 V425 K428 T436 C440 A450 M451	V413-W438 HydrophobicContact CB-CD2 4.2Å; V413-W438 HydrophobicContact CB-CH2 4.24Å; V413-W438 HydrophobicContact CB-CZ2 3.65Å; V413-W438 HydrophobicContact CG1-CD2 3.59Å; V413-W438 HydrophobicContact CG1-CE3 3.93Å; V413-W438 HydrophobicContact CG1-CG 4.06Å; V413-W438 HydrophobicContact CG1-CH2 4.17Å; V413-W438 HydrophobicContact CG1-CZ2 3.88Å; V413-W438 HydrophobicContact CG1-CZ3 4.19Å; I415-W438 HydrophobicContact CG1-CZ3 4.27Å; V425-W438 HydrophobicContact CG1-CB 4.47Å; V425-W438 HydrophobicContact CG1-CD2 4.25Å; V425-W438 HydrophobicContact CG1-CE3 3.52Å; V425-W438 HydrophobicContact CG1-CZ3 4.17Å; K428-W438 HydrophobicContact CB-CD2 4.35Å; K428-W438 HydrophobicContact CB-CE3 3.88Å; K428-W438 HydrophobicContact CB-CH2 3.91Å; K428-W438 HydrophobicContact CB-CZ2 4.35Å; K428-W438 HydrophobicContact CB-CZ3 3.66Å; K428-W438 HydrophobicContact CD-CH2 4.07Å; K428-W438 HydrophobicContact CD-CZ2 3.99Å; K428-W438 HydrophobicContact CG-CD2 4.41Å; K428-W438 HydrophobicContact CG-CE3 4.42Å; K428-W438 HydrophobicContact CG-CH2 4.18Å; K428-W438 HydrophobicContact CG-CZ2 4.14Å; K428-W438 HydrophobicContact CG-CZ3 4.32Å; T436-W438 PolarHBondContact OG1-NE1 3.12Å; W438-C440 PolarHBondContact O-N 3.13Å; W438-A450 CarbonylContact O-C 3.59Å; W438-A450 WeakPolarHBondContact O-CA 3.16Å; W438-M451 HydrophobicContact CB-CE 4.26Å; W438-M451 PolarHBondContact N-O 3.36Å; W438-M451 PolarHBondContact O-N 2.87Å
439	L	96.3	Very high	92.9	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	122.7	169.4	-174.1	64.8	0	0	0	108.3	V426 R427 L429 F448 V510 V571 L574 A575	V426-L439 HydrophobicContact CB-CB 4.46Å; V426-L439 HydrophobicContact CB-CD2 4.39Å; V426-L439 HydrophobicContact CB-CG 4.34Å; V426-L439 WeakPolarHBondContact CB-O 3.49Å; V426-L439 HydrophobicContact CG1-CD2 4.33Å; V426-L439 PolarHBondContact N-O 2.97Å; R427-L439 HydrophobicContact CG-CB 3.76Å; R427-L439 HydrophobicContact CG-CD2 3.93Å; R427-L439 HydrophobicContact CG-CG 4.5Å; R427-L439 PolarHBondContact N-O 3.3Å; R427-L439 PolarHBondContact O-N 3.11Å; L429-L439 HydrophobicContact CD1-CB 4.03Å; L429-L439 HydrophobicContact CD1-CD1 4.37Å; L429-L439 HydrophobicContact CD2-CB 3.97Å; L429-L439 HydrophobicContact CG-CB 3.86Å; L439-F448 HydrophobicContact CD1-CB 4.06Å; L439-F448 HydrophobicContact CD1-CD1 4.16Å; L439-F448 HydrophobicContact CD1-CG 4.42Å; L439-F448 HydrophobicContact CD2-CD1 4.41Å; L439-F448 HydrophobicContact CG-CD1 4.2Å; L439-V510 HydrophobicContact CD1-CG1 4.2Å; L439-V510 HydrophobicContact CD1-CG2 3.75Å; L439-V571 HydrophobicContact CD1-CG1 4.12Å; L439-L574 HydrophobicContact CD2-CD2 4.49Å; L439-A575 HydrophobicContact CD2-CB 3.93Å
440	C	96.6	Very high	93.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	151	178.5	-71.7	0	0	0	0	111.3	H424 W438 F448 V449	H424-C440 CarbonylContact O-C 3.54Å; H424-C440 VanDerWaalsContact O-CA 3.29Å; H424-C440 WeakPolarHBondContact O-CA 3.27Å; W438-C440 PolarHBondContact O-N 3.13Å; C440-F448 WeakPolarHBondContact O-CA 3.41Å; C440-V449 HydrophobicContact CB-CG2 3.82Å; C440-V449 PolarHBondContact N-O 3.49Å; C440-V449 PolarHBondContact O-N 3.43Å
441	W	95.5	Very high	93.9	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.2	166.6	-178.4	-114.2	0	0	0	109.6	Y423 H424 V426 L443 K446 F448 R628 D631 I632 M635	Y423-W441 WeakPolarHBondContact CA-O 3.27Å; H424-W441 HydrophobicContact CB-CB 4.44Å; H424-W441 PolarHBondContact N-O 3.08Å; H424-W441 PolarHBondContact O-N 3.26Å; V426-W441 HydrophobicContact CG2-CB 4.38Å; W441-L443 PolarHBondContact O-N 2.85Å; W441-K446 HydrophobicContact CH2-CB 4.34Å; W441-K446 VanDerWaalsContact CH2-O 3.27Å; W441-K446 WeakPolarHBondContact CH2-O 3.5Å; W441-K446 HydrophobicContact CZ2-CB 4.06Å; W441-K446 HydrophobicContact CZ2-CD 4.18Å; W441-F448 AromaticContact CE3-CD1 3.8Å; W441-F448 HydrophobicContact CE3-CD1 3.8Å; W441-F448 HydrophobicContact CE3-CD2 4.02Å; W441-F448 AromaticContact CE3-CE1 3.63Å; W441-F448 HydrophobicContact CE3-CE1 3.63Å; W441-F448 AromaticContact CE3-CE2 3.86Å; W441-F448 HydrophobicContact CE3-CE2 3.86Å; W441-F448 AromaticContact CE3-CG 3.99Å; W441-F448 HydrophobicContact CE3-CG 3.99Å; W441-F448 AromaticContact CE3-CZ 3.66Å; W441-F448 HydrophobicContact CE3-CZ 3.66Å; W441-F448 HydrophobicContact CZ3-CD1 4.46Å; W441-F448 AromaticContact CZ3-CD2 3.84Å; W441-F448 HydrophobicContact CZ3-CD2 3.84Å; W441-F448 HydrophobicContact CZ3-CE1 4.27Å; W441-F448 AromaticContact CZ3-CE2 3.62Å; W441-F448 HydrophobicContact CZ3-CE2 3.62Å; W441-F448 HydrophobicContact CZ3-CG 4.26Å; W441-F448 AromaticContact CZ3-CZ 3.85Å; W441-F448 HydrophobicContact CZ3-CZ 3.85Å; W441-R628 HydrophobicContact CB-CG 4.4Å; W441-R628 HydrophobicContact CD2-CG 3.95Å; W441-R628 HydrophobicContact CG-CB 4.33Å; W441-R628 HydrophobicContact CG-CG 3.79Å; W441-D631 HydrophobicContact CH2-CB 4.47Å; W441-D631 HydrophobicContact CZ2-CB 3.61Å; W441-D631 PolarHBondContact NE1-OD2 3.13Å; W441-I632 HydrophobicContact CH2-CG1 4Å; W441-I632 HydrophobicContact CZ2-CG1 4.45Å; W441-I632 HydrophobicContact CZ3-CG1 4.22Å; W441-M635 HydrophobicContact CH2-SD 3.83Å
442	D	96.3	Very high	94.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	102.7	172.3	-175.1	-20.7	0	0	0	109.5	R422 Y423 Q444 K445 K446 R447 V449	R422-D442 VanDerWaalsContact CG-OD1 3.31Å; R422-D442 WeakPolarHBondContact CG-OD1 3.2Å; R422-D442 IonicContact CZ-OD1 3.24Å; R422-D442 IonicContact CZ-OD2 3.3Å; R422-D442 VanDerWaalsContact CZ-OD2 3.27Å; R422-D442 VanDerWaalsContact NE-CG 3.31Å; R422-D442 IonicContact NE-OD1 3.26Å; R422-D442 PolarHBondContact NE-OD1 2.98Å; R422-D442 IonicContact NE-OD2 2.72Å; R422-D442 PolarHBondContact NE-OD2 2.87Å; R422-D442 IonicContact NH2-OD1 3.54Å; R422-D442 IonicContact NH2-OD2 2.73Å; R422-D442 PolarHBondContact NH2-OD2 2.87Å; Y423-D442 HydrophobicContact CD1-CB 4.22Å; Y423-D442 HydrophobicContact CE1-CB 3.95Å; D442-Q444 PolarHBondContact O-N 3.21Å; D442-Q444 VanDerWaalsContact O-N 3.14Å; D442-Q444 WeakPolarHBondContact OD1-CB 3.42Å; D442-Q444 PolarHBondContact OD1-N 2.89Å; D442-K445 HydrophobicContact CB-CB 4.46Å; D442-K445 PolarHBondContact O-N 3.02Å; D442-K445 PolarHBondContact OD1-N 3.21Å; D442-K445 WeakPolarHBondContact OD2-CB 3.37Å; D442-K446 WeakPolarHBondContact O-CA 3.46Å; D442-K446 PolarHBondContact O-N 2.85Å; D442-R447 HydrophobicContact CB-CG 4.48Å; D442-R447 WeakPolarHBondContact CB-O 3.45Å; D442-R447 PolarHBondContact N-O 2.89Å; D442-V449 HydrophobicContact CB-CG1 4.39Å
443	L	93	Very high	94.9	Very high	26 Å²	26	31.1 Å²	31.1	14%	0.136	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20	-178.4	-69.2	166.3	0	0	0	113.8	L418 R422 W441 K446 L624	L418-L443 HydrophobicContact CD1-CD1 3.64Å; R422-L443 WeakPolarHBondContact O-CB 3.31Å; R422-L443 WeakPolarHBondContact O-CG 3.42Å; R422-L443 PolarHBondContact O-N 3.09Å; W441-L443 PolarHBondContact O-N 2.85Å; L443-K446 WeakPolarHBondContact O-CE 3.45Å; L443-K446 PolarHBondContact O-NZ 3.21Å; L443-L624 HydrophobicContact CD1-CD2 3.93Å; L443-L624 HydrophobicContact CD2-CD2 4.34Å
444	Q	93.9	Very high	95.5	Very high	131 Å²	131	27.2 Å²	27.2	61%	0.612	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-44.1	-179	-64.9	177.7	6.1	0	0	112.3	R422 D442	R422-Q444 HydrophobicContact CG-CB 4.42Å; R422-Q444 HydrophobicContact CG-CG 4.01Å; D442-Q444 PolarHBondContact O-N 3.21Å; D442-Q444 VanDerWaalsContact O-N 3.14Å; D442-Q444 WeakPolarHBondContact OD1-CB 3.42Å; D442-Q444 PolarHBondContact OD1-N 2.89Å
445	K	94	Very high	95.8	Very high	145 Å²	145	24.8 Å²	24.8	63%	0.63	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	0.4	-178.4	-66.6	-65.8	-170.5	174.6	0	114.4	D442 R447	D442-K445 HydrophobicContact CB-CB 4.46Å; D442-K445 PolarHBondContact O-N 3.02Å; D442-K445 PolarHBondContact OD1-N 3.21Å; D442-K445 WeakPolarHBondContact OD2-CB 3.37Å; K445-R447 VanDerWaalsContact C-N 3.31Å; K445-R447 HydrophobicContact CB-CG 4.26Å; K445-R447 PolarHBondContact O-N 2.9Å
446	K	92.4	Very high	95.9	Very high	66 Å²	66	25.5 Å²	25.5	29%	0.287	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	47.1	175.9	-54.1	-54.9	-168.6	176.5	0	112.8	W441 D442 L443 D631 M635	W441-K446 HydrophobicContact CH2-CB 4.34Å; W441-K446 VanDerWaalsContact CH2-O 3.27Å; W441-K446 WeakPolarHBondContact CH2-O 3.5Å; W441-K446 HydrophobicContact CZ2-CB 4.06Å; W441-K446 HydrophobicContact CZ2-CD 4.18Å; D442-K446 WeakPolarHBondContact O-CA 3.46Å; D442-K446 PolarHBondContact O-N 2.85Å; L443-K446 WeakPolarHBondContact O-CE 3.45Å; L443-K446 PolarHBondContact O-NZ 3.21Å; K446-D631 HydrophobicContact CD-CB 4.24Å; K446-D631 WeakPolarHBondContact CD-OD2 3.38Å; K446-D631 WeakPolarHBondContact CE-OD1 3.23Å; K446-D631 IonicContact NZ-OD1 3.21Å; K446-D631 PolarHBondContact NZ-OD1 2.94Å; K446-D631 IonicContact NZ-OD2 3.41Å; K446-D631 PolarHBondContact NZ-OD2 3.23Å; K446-M635 HydrophobicContact CB-SD 4.47Å; K446-M635 WeakPolarHBondContact O-CE 3.35Å
447	R	93.3	Very high	96.1	Very high	106 Å²	106	26.2 Å²	26.2	40%	0.4	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	164.5	177.2	67.2	171.4	-179.9	164.7	-4.6	112	D442 K445 V449	D442-R447 HydrophobicContact CB-CG 4.48Å; D442-R447 WeakPolarHBondContact CB-O 3.45Å; D442-R447 PolarHBondContact N-O 2.89Å; K445-R447 VanDerWaalsContact C-N 3.31Å; K445-R447 HydrophobicContact CB-CG 4.26Å; K445-R447 PolarHBondContact O-N 2.9Å; R447-V449 HydrophobicContact CG-CG1 4.41Å
448	F	95.8	Very high	96.1	Very high	12 Å²	12	30.1 Å²	30.1	5%	0.053	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	149.5	169.5	-66.5	-76.7	0	0	0	111.6	V426 L439 C440 W441 V510 V571 R572 A575 I632	V426-F448 HydrophobicContact CG2-CE1 4.31Å; L439-F448 HydrophobicContact CD1-CB 4.06Å; L439-F448 HydrophobicContact CD1-CD1 4.16Å; L439-F448 HydrophobicContact CD1-CG 4.42Å; L439-F448 HydrophobicContact CD2-CD1 4.41Å; L439-F448 HydrophobicContact CG-CD1 4.2Å; C440-F448 WeakPolarHBondContact O-CA 3.41Å; W441-F448 AromaticContact CE3-CD1 3.8Å; W441-F448 HydrophobicContact CE3-CD1 3.8Å; W441-F448 HydrophobicContact CE3-CD2 4.02Å; W441-F448 AromaticContact CE3-CE1 3.63Å; W441-F448 HydrophobicContact CE3-CE1 3.63Å; W441-F448 AromaticContact CE3-CE2 3.86Å; W441-F448 HydrophobicContact CE3-CE2 3.86Å; W441-F448 AromaticContact CE3-CG 3.99Å; W441-F448 HydrophobicContact CE3-CG 3.99Å; W441-F448 AromaticContact CE3-CZ 3.66Å; W441-F448 HydrophobicContact CE3-CZ 3.66Å; W441-F448 HydrophobicContact CZ3-CD1 4.46Å; W441-F448 AromaticContact CZ3-CD2 3.84Å; W441-F448 HydrophobicContact CZ3-CD2 3.84Å; W441-F448 HydrophobicContact CZ3-CE1 4.27Å; W441-F448 AromaticContact CZ3-CE2 3.62Å; W441-F448 HydrophobicContact CZ3-CE2 3.62Å; W441-F448 HydrophobicContact CZ3-CG 4.26Å; W441-F448 AromaticContact CZ3-CZ 3.85Å; W441-F448 HydrophobicContact CZ3-CZ 3.85Å; F448-V510 HydrophobicContact CB-CG2 3.93Å; F448-V571 HydrophobicContact CB-CG1 3.54Å; F448-V571 HydrophobicContact CD1-CG1 4.44Å; F448-V571 HydrophobicContact CD2-CG1 3.7Å; F448-V571 HydrophobicContact CG-CG1 3.63Å; F448-R572 HydrophobicContact CE2-CG 4.01Å; F448-A575 HydrophobicContact CD1-CB 4.21Å; F448-A575 HydrophobicContact CE1-CB 3.39Å; F448-A575 HydrophobicContact CE2-CB 4.22Å; F448-A575 HydrophobicContact CZ-CB 3.39Å; F448-I632 HydrophobicContact CE2-CD1 4.39Å; F448-I632 HydrophobicContact CZ-CD1 3.83Å; F448-I632 HydrophobicContact CZ-CG1 4.49Å
449	V	97.6	Very high	96	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153.4	177	-61.1	0	0	0	0	110.1	Y423 C440 D442 R447 I491 V507	Y423-V449 HydrophobicContact CD1-CG2 3.69Å; Y423-V449 HydrophobicContact CE1-CG2 3.81Å; C440-V449 HydrophobicContact CB-CG2 3.82Å; C440-V449 PolarHBondContact N-O 3.49Å; C440-V449 PolarHBondContact O-N 3.43Å; D442-V449 HydrophobicContact CB-CG1 4.39Å; R447-V449 HydrophobicContact CG-CG1 4.41Å; V449-I491 HydrophobicContact CB-CD1 4.32Å; V449-I491 HydrophobicContact CG1-CD1 3.68Å; V449-V507 HydrophobicContact CB-CG1 3.59Å; V449-V507 HydrophobicContact CG1-CG1 4.01Å; V449-V507 HydrophobicContact CG2-CG1 3.56Å
450	A	98.1	Very high	95.9	Very high	8 Å²	8	36.5 Å²	36.5	7%	0.066	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.6	170.7	0	0	0	0	0	109.8	L429 V437 W438 V507 L508 E509	L429-A450 HydrophobicContact CD1-CB 4.04Å; V437-A450 HydrophobicContact CG1-CB 4.27Å; W438-A450 CarbonylContact O-C 3.59Å; W438-A450 WeakPolarHBondContact O-CA 3.16Å; A450-V507 WeakPolarHBondContact O-CA 3.4Å; A450-L508 HydrophobicContact CB-CB 4.47Å; A450-L508 PolarHBondContact N-O 3.03Å; A450-L508 PolarHBondContact O-N 3.13Å; A450-E509 WeakPolarHBondContact CB-O 3.49Å
451	M	98.2	Very high	95.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108.1	179.9	-173.7	-175.5	65	0	0	110.2	F419 V425 V437 W438 V453 F494 M506	F419-M451 HydrophobicContact CB-SD 4.16Å; F419-M451 HydrophobicContact CD2-CE 3.64Å; F419-M451 HydrophobicContact CD2-SD 4.02Å; F419-M451 HydrophobicContact CE2-CE 3.96Å; F419-M451 HydrophobicContact CG-CE 4.39Å; F419-M451 HydrophobicContact CG-SD 4.25Å; V425-M451 HydrophobicContact CG2-CE 4.16Å; V437-M451 WeakPolarHBondContact CA-O 3.47Å; W438-M451 HydrophobicContact CB-CE 4.26Å; W438-M451 PolarHBondContact N-O 3.36Å; W438-M451 PolarHBondContact O-N 2.87Å; M451-V453 HydrophobicContact CE-CG2 3.75Å; M451-V453 HydrophobicContact CG-CG2 4.06Å; M451-V453 HydrophobicContact SD-CG2 4.31Å; M451-F494 HydrophobicContact SD-CZ 3.97Å; M451-M506 CarbonylContact C-O 3.52Å; M451-M506 WeakPolarHBondContact CA-O 3.5Å
452	K	97.7	Very high	95.8	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.035	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.1	175.8	-177.9	173.6	176	-179.8	0	108.6	A5 V437 E467 C505 M506 L508 D736	A5-K452 PolarHBondContact O-NZ 3.25Å; V437-K452 HydrophobicContact CG2-CB 4.29Å; V437-K452 HydrophobicContact CG2-CG 4.25Å; K452-E467 IonicContact NZ-OE1 3.27Å; K452-E467 PolarHBondContact NZ-OE1 2.95Å; K452-E467 IonicContact NZ-OE2 3.9Å; K452-E467 PolarHBondContact NZ-OE2 3.35Å; K452-C505 WeakPolarHBondContact O-CA 3.46Å; K452-M506 HydrophobicContact CB-CB 4.42Å; K452-M506 HydrophobicContact CB-CE 4.48Å; K452-M506 HydrophobicContact CD-CE 3.76Å; K452-M506 HydrophobicContact CG-CE 4.01Å; K452-M506 PolarHBondContact N-O 3.35Å; K452-M506 PolarHBondContact O-N 2.95Å; K452-L508 HydrophobicContact CB-CD1 4.47Å; K452-D736 IonicContact NZ-OD1 2.61Å; K452-D736 PolarHBondContact NZ-OD1 2.93Å
453	V	97.8	Very high	95.7	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	113.3	-177.6	-175.6	0	0	0	0	109.7	V413 S435 T436 M451 I496 H503	V413-V453 HydrophobicContact CG2-CG1 4.44Å; V413-V453 HydrophobicContact CG2-CG2 4.28Å; S435-V453 VanDerWaalsContact CA-O 3.29Å; S435-V453 WeakPolarHBondContact CA-O 3.23Å; S435-V453 VanDerWaalsContact CB-O 3.31Å; S435-V453 WeakPolarHBondContact CB-O 3.32Å; T436-V453 PolarHBondContact N-O 3.04Å; T436-V453 PolarHBondContact O-N 3.16Å; M451-V453 HydrophobicContact CE-CG2 3.75Å; M451-V453 HydrophobicContact CG-CG2 4.06Å; M451-V453 HydrophobicContact SD-CG2 4.31Å; V453-I496 HydrophobicContact CG1-CD1 3.98Å; V453-H503 HydrophobicContact CG1-CB 4.4Å
454	V	97.6	Very high	95.9	Very high	6 Å²	6	45.6 Å²	45.6	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	153.5	-168.9	-172.3	0	0	0	0	111.9	A464 H503 V504 M506	V454-A464 HydrophobicContact CB-CB 4.36Å; V454-A464 HydrophobicContact CG1-CB 4.12Å; V454-A464 HydrophobicContact CG2-CB 3.9Å; V454-H503 WeakPolarHBondContact O-CB 3.42Å; V454-H503 PolarHBondContact O-ND1 3.33Å; V454-V504 PolarHBondContact N-O 3.13Å; V454-M506 HydrophobicContact CG2-CE 3.8Å
455	K	96.9	Very high	96.1	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.009	21%	0.208	C	C	.	.			trans	-57.9	150.3	168.4	-74.3	-172.3	176.1	175.5	0	111.3	D404 G409 Y410 H433 F434 Y460	D404-K455 IonicContact OD1-NZ 3.74Å; D404-K455 PolarHBondContact OD1-NZ 2.82Å; D404-K455 IonicContact OD2-NZ 2.65Å; D404-K455 PolarHBondContact OD2-NZ 2.86Å; G409-K455 VanDerWaalsContact O-CA 3.31Å; G409-K455 WeakPolarHBondContact O-CA 3.24Å; Y410-K455 HydrophobicContact CD1-CD 4.27Å; Y410-K455 HydrophobicContact CD1-CG 3.6Å; Y410-K455 HydrophobicContact CE1-CD 4.16Å; Y410-K455 HydrophobicContact CE1-CG 3.86Å; Y410-K455 HydrophobicContact CG-CG 4.2Å; H433-K455 WeakPolarHBondContact O-CD 3.26Å; H433-K455 WeakPolarHBondContact O-CE 3.49Å; H433-K455 PolarHBondContact O-NZ 2.94Å; F434-K455 PolarHBondContact O-N 3.34Å; K455-Y460 HydrophobicContact CB-CD2 3.33Å; K455-Y460 HydrophobicContact CB-CE2 3.86Å; K455-Y460 HydrophobicContact CB-CG 4.04Å; K455-Y460 HydrophobicContact CD-CD2 4.03Å; K455-Y460 HydrophobicContact CD-CE2 3.62Å; K455-Y460 HydrophobicContact CG-CD2 4.29Å; K455-Y460 HydrophobicContact CG-CE2 4.37Å
456	S	97.6	Very high	96.2	Very high	15 Å²	15	36.8 Å²	36.8	11%	0.105	19%	0.188	C	C	.	.			trans	-92.1	2.7	-168.5	47.1	0	0	0	0	116.3	G408 G409 N500 V502 H503	G408-S456 VanDerWaalsContact C-OG 3.25Å; G408-S456 WeakPolarHBondContact CA-OG 3.16Å; G408-S456 PolarHBondContact N-OG 2.87Å; G408-S456 CarbonylContact O-C 3.5Å; G408-S456 PolarHBondContact O-N 2.77Å; G408-S456 VanDerWaalsContact O-N 3.11Å; G409-S456 PolarHBondContact O-N 2.92Å; G409-S456 PolarHBondContact O-OG 2.88Å; G409-S456 VanDerWaalsContact O-OG 3.13Å; S456-N500 PolarHBondContact OG-O 2.64Å; S456-N500 VanDerWaalsContact OG-O 3.11Å; S456-V502 VanDerWaalsContact CB-O 3.32Å; S456-V502 WeakPolarHBondContact CB-O 3.34Å; S456-H503 VanDerWaalsContact CB-CE1 3.41Å; S456-H503 WeakPolarHBondContact CB-CE1 3.46Å; S456-H503 PolarHBondContact OG-CE1 3.15Å; S456-H503 VanDerWaalsContact OG-CE1 3.29Å
457	A	97.1	Very high	96.4	Very high	15 Å²	15	34.3 Å²	34.3	12%	0.124	18%	0.178	C	C	.	.	S	Bend	trans	-67.6	153	175.6	0	0	0	0	0	111	G408 H459 Y460 T461	G408-A457 WeakPolarHBondContact O-CB 3.39Å; G408-A457 PolarHBondContact O-N 3.14Å; A457-H459 VanDerWaalsContact CB-CE1 3.45Å; A457-H459 WeakPolarHBondContact CB-CE1 3.45Å; A457-H459 PolarHBondContact O-N 3.17Å; A457-Y460 HydrophobicContact CB-CD2 3.67Å; A457-Y460 HydrophobicContact CB-CE2 4.13Å; A457-Y460 PolarHBondContact O-N 3.1Å; A457-T461 WeakPolarHBondContact O-CB 3.43Å; A457-T461 PolarHBondContact O-N 2.8Å; A457-T461 PolarHBondContact O-OG1 2.88Å
458	P	96.1	Very high	96.7	Very high	90 Å²	90	29.5 Å²	29.5	58%	0.584	16%	0.16	S	C	*	.	H	α-helix	trans	-56.1	-46.8	-175.4	-27.5	36	0	0	0	113.5	Y460 T461 E462	P458-Y460 PolarHBondContact O-N 2.67Å; P458-T461 CarbonylContact O-C 3.58Å; P458-T461 WeakPolarHBondContact O-CA 3.31Å; P458-T461 WeakPolarHBondContact O-CB 3.48Å; P458-T461 PolarHBondContact O-N 2.87Å; P458-T461 VanDerWaalsContact O-N 3.07Å; P458-E462 WeakPolarHBondContact O-CB 3.36Å; P458-E462 WeakPolarHBondContact O-CG 3.41Å; P458-E462 PolarHBondContact O-N 2.95Å
459	H	93.4	Very high	96.8	Very high	97 Å²	97	34 Å²	34	45%	0.449	18%	0.179	S	C	.	.	H	α-helix	trans	-63.8	-43.2	-178.3	61.7	-65.2	0	0	0	112.6	A457 T461 E462 T463	A457-H459 VanDerWaalsContact CB-CE1 3.45Å; A457-H459 WeakPolarHBondContact CB-CE1 3.45Å; A457-H459 PolarHBondContact O-N 3.17Å; H459-T461 VanDerWaalsContact C-N 3.29Å; H459-T461 PolarHBondContact O-N 3.43Å; H459-E462 PolarHBondContact O-N 2.89Å; H459-T463 PolarHBondContact O-N 2.92Å; H459-T463 PolarHBondContact O-OG1 2.84Å; H459-T463 VanDerWaalsContact O-OG1 3.09Å
460	Y	94.7	Very high	96.9	Very high	37 Å²	37	34 Å²	34	15%	0.145	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-34.5	173.1	-56.9	-43.2	0	0	0	112.5	H433 F434 K455 A457 P458 A464	H433-Y460 PolarHBondContact CE1-OH 3.43Å; H433-Y460 VanDerWaalsContact CE1-OH 3.3Å; F434-Y460 AromaticContact CD1-CD1 3.7Å; F434-Y460 HydrophobicContact CD1-CD1 3.7Å; F434-Y460 AromaticContact CD1-CE1 3.28Å; F434-Y460 HydrophobicContact CD1-CE1 3.28Å; F434-Y460 HydrophobicContact CE1-CD1 4.26Å; F434-Y460 AromaticContact CE1-CE1 3.59Å; F434-Y460 HydrophobicContact CE1-CE1 3.59Å; F434-Y460 HydrophobicContact CG-CD1 4.41Å; F434-Y460 HydrophobicContact CG-CE1 4.37Å; K455-Y460 HydrophobicContact CB-CD2 3.33Å; K455-Y460 HydrophobicContact CB-CE2 3.86Å; K455-Y460 HydrophobicContact CB-CG 4.04Å; K455-Y460 HydrophobicContact CD-CD2 4.03Å; K455-Y460 HydrophobicContact CD-CE2 3.62Å; K455-Y460 HydrophobicContact CG-CD2 4.29Å; K455-Y460 HydrophobicContact CG-CE2 4.37Å; A457-Y460 HydrophobicContact CB-CD2 3.67Å; A457-Y460 HydrophobicContact CB-CE2 4.13Å; A457-Y460 PolarHBondContact O-N 3.1Å; P458-Y460 PolarHBondContact O-N 2.67Å; Y460-A464 VanDerWaalsContact O-CB 3.29Å; Y460-A464 WeakPolarHBondContact O-CB 3.44Å; Y460-A464 PolarHBondContact O-N 3.25Å; Y460-A464 VanDerWaalsContact O-N 3.09Å
461	T	95.8	Very high	96.9	Very high	27 Å²	27	33.8 Å²	33.8	17%	0.166	18%	0.177	C	C	.	.	H	α-helix	trans	-69.6	-37.6	176.4	-61.5	0	0	0	0	111.7	A457 P458 H459 L465 V504	A457-T461 WeakPolarHBondContact O-CB 3.43Å; A457-T461 PolarHBondContact O-N 2.8Å; A457-T461 PolarHBondContact O-OG1 2.88Å; P458-T461 CarbonylContact O-C 3.58Å; P458-T461 WeakPolarHBondContact O-CA 3.31Å; P458-T461 WeakPolarHBondContact O-CB 3.48Å; P458-T461 PolarHBondContact O-N 2.87Å; P458-T461 VanDerWaalsContact O-N 3.07Å; H459-T461 VanDerWaalsContact C-N 3.29Å; H459-T461 PolarHBondContact O-N 3.43Å; T461-L465 HydrophobicContact CG2-CD1 4.15Å; T461-L465 WeakPolarHBondContact O-CD1 3.29Å; T461-L465 WeakPolarHBondContact O-CG 2.98Å; T461-L465 PolarHBondContact O-N 3.42Å; T461-V504 HydrophobicContact CG2-CG2 3.97Å
462	E	94.6	Very high	96.9	Very high	117 Å²	117	38.8 Å²	38.8	55%	0.547	20%	0.196	S	C	.	.	H	α-helix	trans	-69.2	-52	177.3	-74.5	157.5	-162.2	0	0	110.7	P458 H459 A464 L465 D466	P458-E462 WeakPolarHBondContact O-CB 3.36Å; P458-E462 WeakPolarHBondContact O-CG 3.41Å; P458-E462 PolarHBondContact O-N 2.95Å; H459-E462 PolarHBondContact O-N 2.89Å; E462-A464 VanDerWaalsContact C-N 3.33Å; E462-A464 PolarHBondContact O-N 2.88Å; E462-L465 WeakPolarHBondContact O-CB 3.47Å; E462-L465 PolarHBondContact O-N 3.11Å; E462-D466 PolarHBondContact O-N 3.07Å; E462-D466 VanDerWaalsContact O-N 3.08Å
463	T	94.8	Very high	96.9	Very high	72 Å²	72	39.8 Å²	39.8	44%	0.442	20%	0.204	S	C	.	.	H	α-helix	trans	-54.4	-46.5	174.8	-55.5	0	0	0	0	111.9	H459 L465 D466 E467 G738	H459-T463 PolarHBondContact O-N 2.92Å; H459-T463 PolarHBondContact O-OG1 2.84Å; H459-T463 VanDerWaalsContact O-OG1 3.09Å; T463-L465 VanDerWaalsContact C-N 3.26Å; T463-L465 PolarHBondContact O-N 2.9Å; T463-D466 PolarHBondContact O-N 3.26Å; T463-D466 VanDerWaalsContact O-N 3.1Å; T463-E467 PolarHBondContact O-N 2.98Å; T463-G738 WeakPolarHBondContact CG2-O 3.48Å
464	A	96.6	Very high	96.9	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-65.6	-26.1	178.2	0	0	0	0	0	113.8	V454 Y460 E462 I468 V504 M506	V454-A464 HydrophobicContact CB-CB 4.36Å; V454-A464 HydrophobicContact CG1-CB 4.12Å; V454-A464 HydrophobicContact CG2-CB 3.9Å; Y460-A464 VanDerWaalsContact O-CB 3.29Å; Y460-A464 WeakPolarHBondContact O-CB 3.44Å; Y460-A464 PolarHBondContact O-N 3.25Å; Y460-A464 VanDerWaalsContact O-N 3.09Å; E462-A464 VanDerWaalsContact C-N 3.33Å; E462-A464 PolarHBondContact O-N 2.88Å; A464-I468 WeakPolarHBondContact O-CD1 3.35Å; A464-I468 VanDerWaalsContact O-CG1 3.25Å; A464-I468 WeakPolarHBondContact O-CG1 3.47Å; A464-I468 PolarHBondContact O-N 2.71Å; A464-I468 VanDerWaalsContact O-N 3.11Å; A464-V504 HydrophobicContact CB-CB 4.06Å; A464-V504 HydrophobicContact CB-CG1 4.02Å; A464-V504 HydrophobicContact CB-CG2 4.34Å; A464-M506 HydrophobicContact CB-CE 4.38Å
465	L	97.5	Very high	96.9	Very high	53 Å²	53	42.8 Å²	42.8	28%	0.277	21%	0.214	S	C	.	.	H	α-helix	trans	-78.7	-25.4	174	-72.9	167.1	0	0	0	112.4	T461 E462 T463 K469 V504	T461-L465 HydrophobicContact CG2-CD1 4.15Å; T461-L465 WeakPolarHBondContact O-CD1 3.29Å; T461-L465 WeakPolarHBondContact O-CG 2.98Å; T461-L465 PolarHBondContact O-N 3.42Å; E462-L465 WeakPolarHBondContact O-CB 3.47Å; E462-L465 PolarHBondContact O-N 3.11Å; T463-L465 VanDerWaalsContact C-N 3.26Å; T463-L465 PolarHBondContact O-N 2.9Å; L465-K469 WeakPolarHBondContact O-CE 3.42Å; L465-K469 WeakPolarHBondContact O-CG 3.44Å; L465-K469 PolarHBondContact O-N 3.09Å; L465-V504 HydrophobicContact CG-CG2 4.4Å
466	D	96.3	Very high	96.9	Very high	39 Å²	39	47 Å²	47	21%	0.209	24%	0.237	C	C	.	.	H	α-helix	trans	-79.6	-38.6	169	-78.1	-54.1	0	0	0	111.9	E462 T463 I468 K469 L470 F747	E462-D466 PolarHBondContact O-N 3.07Å; E462-D466 VanDerWaalsContact O-N 3.08Å; T463-D466 PolarHBondContact O-N 3.26Å; T463-D466 VanDerWaalsContact O-N 3.1Å; D466-I468 VanDerWaalsContact C-N 3.3Å; D466-I468 PolarHBondContact O-N 3.21Å; D466-K469 WeakPolarHBondContact O-CB 3.48Å; D466-K469 PolarHBondContact O-N 3.31Å; D466-K469 WeakPolarHBondContact OD1-CD 3.46Å; D466-K469 IonicContact OD1-NZ 3.55Å; D466-K469 PolarHBondContact OD1-NZ 2.79Å; D466-K469 IonicContact OD2-NZ 3.69Å; D466-L470 WeakPolarHBondContact O-CG 3.23Å; D466-L470 PolarHBondContact O-N 3.2Å; D466-F747 HydrophobicContact CB-CE2 4.33Å; D466-F747 HydrophobicContact CB-CZ 4.12Å
467	E	97.7	Very high	96.9	Very high	13 Å²	13	48.4 Å²	48.4	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-53.1	-46.1	168.9	-172.2	-175.3	162.7	0	0	111	K452 T463 K469 L470 L471 M506	K452-E467 IonicContact NZ-OE1 3.27Å; K452-E467 PolarHBondContact NZ-OE1 2.95Å; K452-E467 IonicContact NZ-OE2 3.9Å; K452-E467 PolarHBondContact NZ-OE2 3.35Å; T463-E467 PolarHBondContact O-N 2.98Å; E467-K469 VanDerWaalsContact C-N 3.35Å; E467-K469 PolarHBondContact O-N 2.93Å; E467-L470 PolarHBondContact O-N 2.65Å; E467-L471 HydrophobicContact CG-CD1 3.96Å; E467-L471 HydrophobicContact CG-CG 4.48Å; E467-L471 WeakPolarHBondContact O-CB 3.28Å; E467-L471 WeakPolarHBondContact O-CG 3.32Å; E467-L471 PolarHBondContact O-N 3.45Å; E467-M506 HydrophobicContact CB-SD 4.48Å; E467-M506 HydrophobicContact CG-SD 4.08Å; E467-M506 WeakPolarHBondContact OE2-CE 3.4Å
468	I	98.4	Very high	97	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-38	174.9	-74.8	165.6	0	0	0	112.6	A464 D466 R472 L490 D493 V504 M506	A464-I468 WeakPolarHBondContact O-CD1 3.35Å; A464-I468 VanDerWaalsContact O-CG1 3.25Å; A464-I468 WeakPolarHBondContact O-CG1 3.47Å; A464-I468 PolarHBondContact O-N 2.71Å; A464-I468 VanDerWaalsContact O-N 3.11Å; D466-I468 VanDerWaalsContact C-N 3.3Å; D466-I468 PolarHBondContact O-N 3.21Å; I468-R472 HydrophobicContact CG2-CG 4.37Å; I468-R472 WeakPolarHBondContact O-CB 3.39Å; I468-R472 WeakPolarHBondContact O-CG 3.29Å; I468-R472 PolarHBondContact O-N 2.83Å; I468-L490 HydrophobicContact CG2-CD2 4.25Å; I468-D493 HydrophobicContact CD1-CB 3.84Å; I468-D493 HydrophobicContact CG1-CB 4.27Å; I468-V504 HydrophobicContact CD1-CG1 3.5Å; I468-V504 VanDerWaalsContact CD1-CG1 3.5Å; I468-M506 HydrophobicContact CD1-CG 3.79Å; I468-M506 HydrophobicContact CD1-SD 4.32Å; I468-M506 HydrophobicContact CG1-CG 3.6Å; I468-M506 HydrophobicContact CG1-SD 3.71Å
469	K	98.4	Very high	97	Very high	105 Å²	105	49.2 Å²	49.2	46%	0.457	25%	0.249	S	C	.	.	H	α-helix	trans	-67.6	-42.8	178.1	-67.4	163.2	-152	157.4	0	111	L465 D466 E467 R472 C473	L465-K469 WeakPolarHBondContact O-CE 3.42Å; L465-K469 WeakPolarHBondContact O-CG 3.44Å; L465-K469 PolarHBondContact O-N 3.09Å; D466-K469 WeakPolarHBondContact O-CB 3.48Å; D466-K469 PolarHBondContact O-N 3.31Å; D466-K469 WeakPolarHBondContact OD1-CD 3.46Å; D466-K469 IonicContact OD1-NZ 3.55Å; D466-K469 PolarHBondContact OD1-NZ 2.79Å; D466-K469 IonicContact OD2-NZ 3.69Å; E467-K469 VanDerWaalsContact C-N 3.35Å; E467-K469 PolarHBondContact O-N 2.93Å; K469-R472 PolarHBondContact O-N 2.89Å; K469-C473 PolarHBondContact O-N 3.21Å
470	L	98.6	Very high	97.2	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-50.1	177.5	-68.6	159.9	0	0	0	110.7	D466 E467 R472 C473 V474 I552 L737 A740 W742 F747	D466-L470 WeakPolarHBondContact O-CG 3.23Å; D466-L470 PolarHBondContact O-N 3.2Å; E467-L470 PolarHBondContact O-N 2.65Å; L470-R472 PolarHBondContact O-N 2.92Å; L470-C473 WeakPolarHBondContact O-CA 3.45Å; L470-C473 WeakPolarHBondContact O-CB 3.36Å; L470-C473 PolarHBondContact O-N 3.08Å; L470-C473 VanDerWaalsContact O-N 3.08Å; L470-V474 WeakPolarHBondContact O-CG2 3.32Å; L470-V474 PolarHBondContact O-N 3.31Å; L470-I552 HydrophobicContact CB-CD1 4.2Å; L470-I552 HydrophobicContact CD2-CD1 3.67Å; L470-I552 HydrophobicContact CD2-CG1 3.74Å; L470-I552 HydrophobicContact CD2-CG2 4.18Å; L470-L737 HydrophobicContact CB-CB 4.46Å; L470-L737 HydrophobicContact CB-CD2 4.18Å; L470-A740 HydrophobicContact CD1-CB 4.14Å; L470-A740 VanDerWaalsContact CD1-O 3.3Å; L470-A740 WeakPolarHBondContact CD1-O 3.34Å; L470-W742 HydrophobicContact CD2-CD2 4.02Å; L470-W742 HydrophobicContact CD2-CG 4.36Å; L470-W742 HydrophobicContact CD2-CZ2 3.92Å; L470-F747 HydrophobicContact CD1-CE2 4.25Å
471	L	98.5	Very high	97.3	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-36.7	177.3	-72.6	171.1	0	0	0	113.4	E467 V474 R475 V488 L490 M506 L508 L737	E467-L471 HydrophobicContact CG-CD1 3.96Å; E467-L471 HydrophobicContact CG-CG 4.48Å; E467-L471 WeakPolarHBondContact O-CB 3.28Å; E467-L471 WeakPolarHBondContact O-CG 3.32Å; E467-L471 PolarHBondContact O-N 3.45Å; L471-V474 PolarHBondContact O-N 2.85Å; L471-R475 PolarHBondContact O-N 2.93Å; L471-R475 VanDerWaalsContact O-N 3.09Å; L471-V488 HydrophobicContact CD2-CG1 4.1Å; L471-L490 HydrophobicContact CB-CB 3.92Å; L471-L490 HydrophobicContact CB-CD2 4.12Å; L471-L490 HydrophobicContact CD1-CB 4.46Å; L471-L490 HydrophobicContact CD1-CD1 4.39Å; L471-M506 HydrophobicContact CD1-SD 4.22Å; L471-L508 HydrophobicContact CD1-CD2 4.2Å; L471-L737 HydrophobicContact CD2-CB 4.46Å; L471-L737 HydrophobicContact CD2-CD1 4.16Å; L471-L737 HydrophobicContact CD2-CD2 4.29Å
472	R	98.4	Very high	97.4	Very high	106 Å²	106	52.3 Å²	52.3	40%	0.4	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-42	171.6	-73.7	171.9	180	-168.2	4.2	110.9	I468 K469 L470 R475 D476 L490 D493	I468-R472 HydrophobicContact CG2-CG 4.37Å; I468-R472 WeakPolarHBondContact O-CB 3.39Å; I468-R472 WeakPolarHBondContact O-CG 3.29Å; I468-R472 PolarHBondContact O-N 2.83Å; K469-R472 PolarHBondContact O-N 2.89Å; L470-R472 PolarHBondContact O-N 2.92Å; R472-R475 PolarHBondContact O-N 3.32Å; R472-D476 VanDerWaalsContact O-CB 3.23Å; R472-D476 WeakPolarHBondContact O-CB 3.2Å; R472-D476 PolarHBondContact O-N 3.42Å; R472-L490 HydrophobicContact CG-CD2 3.9Å; R472-D493 IonicContact CZ-OD1 2.72Å; R472-D493 VanDerWaalsContact CZ-OD1 3.3Å; R472-D493 IonicContact CZ-OD2 2.71Å; R472-D493 IonicContact NE-OD1 2.7Å; R472-D493 PolarHBondContact NE-OD1 3.44Å; R472-D493 VanDerWaalsContact NE-OD1 3.08Å; R472-D493 IonicContact NH2-OD1 3.17Å; R472-D493 PolarHBondContact NH2-OD1 2.88Å; R472-D493 IonicContact NH2-OD2 3.62Å; R472-D493 PolarHBondContact NH2-OD2 2.93Å
473	C	98.4	Very high	97.6	Very high	29 Å²	29	49.9 Å²	49.9	20%	0.196	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-42	175	-163.1	0	0	0	0	112.6	K469 L470 R475 D476 S477 I552 W742	K469-C473 PolarHBondContact O-N 3.21Å; L470-C473 WeakPolarHBondContact O-CA 3.45Å; L470-C473 WeakPolarHBondContact O-CB 3.36Å; L470-C473 PolarHBondContact O-N 3.08Å; L470-C473 VanDerWaalsContact O-N 3.08Å; C473-R475 PolarHBondContact O-N 2.82Å; C473-D476 PolarHBondContact O-N 3.38Å; C473-S477 WeakPolarHBondContact O-CB 3.39Å; C473-S477 PolarHBondContact O-N 3.19Å; C473-S477 PolarHBondContact O-OG 3.05Å; C473-S477 VanDerWaalsContact O-OG 3.05Å; C473-S477 PolarHBondContact SG-OG 2.89Å; C473-I552 HydrophobicContact CB-CD1 4.38Å; C473-W742 HydrophobicContact CB-CH2 3.54Å; C473-W742 HydrophobicContact CB-CZ2 4.47Å; C473-W742 HydrophobicContact CB-CZ3 4.13Å; C473-W742 VanDerWaalsContact SG-CH2 3.58Å
474	V	98.3	Very high	97.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-54.6	-44.2	172.7	169.9	0	0	0	0	111.3	L470 L471 R484 I487 Y545 L546 I552 L737	L470-V474 WeakPolarHBondContact O-CG2 3.32Å; L470-V474 PolarHBondContact O-N 3.31Å; L471-V474 PolarHBondContact O-N 2.85Å; V474-R484 WeakPolarHBondContact O-CD 3.4Å; V474-I487 HydrophobicContact CG1-CB 3.98Å; V474-I487 HydrophobicContact CG1-CD1 3.96Å; V474-I487 HydrophobicContact CG1-CG2 3.75Å; V474-Y545 HydrophobicContact CG1-CE1 4.19Å; V474-Y545 VanDerWaalsContact O-CE1 3.28Å; V474-Y545 WeakPolarHBondContact O-CE1 3.18Å; V474-Y545 PolarHBondContact O-OH 2.97Å; V474-L546 HydrophobicContact CG2-CD2 3.58Å; V474-I552 HydrophobicContact CG2-CD1 4.03Å; V474-L737 HydrophobicContact CG2-CD2 3.7Å
475	R	97.1	Very high	97.8	Very high	70 Å²	70	52 Å²	52	26%	0.264	27%	0.274	S	S	.	.	H	α-helix	trans	-70.4	-36	179.7	-169.2	-169.9	66	-150.2	-9	113.4	L471 R472 C473 R484 L490	L471-R475 PolarHBondContact O-N 2.93Å; L471-R475 VanDerWaalsContact O-N 3.09Å; R472-R475 PolarHBondContact O-N 3.32Å; C473-R475 PolarHBondContact O-N 2.82Å; R475-R484 PolarHBondContact O-NE 3.11Å; R475-L490 WeakPolarHBondContact CD-O 3.09Å; R475-L490 PolarHBondContact NH1-O 3.18Å
476	D	97.4	Very high	97.8	Very high	89 Å²	89	49.6 Å²	49.6	48%	0.476	26%	0.262	S	S	.	.	H	α-helix	trans	-106.9	-11.4	-164.3	-56.8	-22.3	0	0	0	114.1	R472 C473	R472-D476 VanDerWaalsContact O-CB 3.23Å; R472-D476 WeakPolarHBondContact O-CB 3.2Å; R472-D476 PolarHBondContact O-N 3.42Å; C473-D476 PolarHBondContact O-N 3.38Å
477	S	97.7	Very high	97.9	Very high	46 Å²	46	47.8 Å²	47.8	32%	0.322	25%	0.252	S	S	.	.	S	Bend	trans	-63.4	-59.3	-177.8	-89.2	0	0	0	0	114.3	C473 C550	C473-S477 WeakPolarHBondContact O-CB 3.39Å; C473-S477 PolarHBondContact O-N 3.19Å; C473-S477 PolarHBondContact O-OG 3.05Å; C473-S477 VanDerWaalsContact O-OG 3.05Å; C473-S477 PolarHBondContact SG-OG 2.89Å; S477-C550 PolarHBondContact OG-SG 3.45Å; S477-C550 VanDerWaalsContact OG-SG 3.38Å
478	D	97.8	Very high	97.9	Very high	38 Å²	38	47.5 Å²	47.5	20%	0.203	25%	0.251	C	S	.	.			trans	-142.7	89.5	173.6	-178.8	-9.6	0	0	0	108.5	S480 D481 Y545 K549	D478-S480 PolarHBondContact O-N 2.96Å; D478-S480 VanDerWaalsContact O-N 3.09Å; D478-S480 WeakPolarHBondContact OD1-CB 3.5Å; D478-S480 PolarHBondContact OD1-N 3.41Å; D478-S480 PolarHBondContact OD1-OG 3.48Å; D478-D481 HydrophobicContact CB-CB 4.36Å; D478-D481 PolarHBondContact O-N 2.71Å; D478-D481 PolarHBondContact OD1-N 3.08Å; D478-Y545 HydrophobicContact CB-CE2 4.06Å; D478-Y545 PolarHBondContact N-OH 3.08Å; D478-Y545 VanDerWaalsContact N-OH 3.13Å; D478-Y545 PolarHBondContact O-OH 3Å; D478-K549 HydrophobicContact CB-CB 4.47Å; D478-K549 HydrophobicContact CB-CD 4.3Å; D478-K549 HydrophobicContact CB-CG 4.3Å; D478-K549 IonicContact OD2-NZ 2.84Å; D478-K549 PolarHBondContact OD2-NZ 3.42Å
479	P	96.2	Very high	97.9	Very high	83 Å²	83	48 Å²	48	54%	0.539	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-7.8	-178.3	-24.2	35.5	0	0	0	115.1	R484	P479-R484 PolarHBondContact O-NH1 3.23Å
480	S	97.6	Very high	97.9	Very high	108 Å²	108	43.1 Å²	43.1	76%	0.755	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-17.8	-179	73.9	0	0	0	0	113.7	D478 S482	D478-S480 PolarHBondContact O-N 2.96Å; D478-S480 VanDerWaalsContact O-N 3.09Å; D478-S480 WeakPolarHBondContact OD1-CB 3.5Å; D478-S480 PolarHBondContact OD1-N 3.41Å; D478-S480 PolarHBondContact OD1-OG 3.48Å; S480-S482 PolarHBondContact O-N 3.26Å
481	D	98	Very high	97.8	Very high	31 Å²	31	44.9 Å²	44.9	17%	0.166	24%	0.242	C	C	.	.			trans	-75.1	123.6	-180	-165.1	-30.1	0	0	0	111.5	D478 Y483 R484 Y545 K549	D478-D481 HydrophobicContact CB-CB 4.36Å; D478-D481 PolarHBondContact O-N 2.71Å; D478-D481 PolarHBondContact OD1-N 3.08Å; D481-Y483 PolarHBondContact O-N 3.01Å; D481-Y483 WeakPolarHBondContact OD1-CB 3.17Å; D481-Y483 PolarHBondContact OD1-N 2.86Å; D481-R484 WeakPolarHBondContact O-CB 3.34Å; D481-R484 PolarHBondContact O-N 2.84Å; D481-Y545 HydrophobicContact CB-CD2 3.84Å; D481-Y545 HydrophobicContact CB-CE2 3.79Å; D481-K549 IonicContact OD2-NZ 2.89Å; D481-K549 PolarHBondContact OD2-NZ 2.84Å
482	S	97.8	Very high	97.8	Very high	88 Å²	88	46.4 Å²	46.4	62%	0.615	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-66.3	-24.1	179.2	64.2	0	0	0	0	113.1	S480 R484 E485	S480-S482 PolarHBondContact O-N 3.26Å; S482-R484 PolarHBondContact O-N 3.28Å; S482-E485 PolarHBondContact O-N 2.73Å; S482-E485 VanDerWaalsContact O-N 3.16Å
483	Y	98.4	Very high	97.8	Very high	66 Å²	66	43.2 Å²	43.2	26%	0.259	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-67.9	-24.3	178.7	-68.8	2.1	0	0	0	112	D481 E485 T486 Q541 D544 L887	D481-Y483 PolarHBondContact O-N 3.01Å; D481-Y483 WeakPolarHBondContact OD1-CB 3.17Å; D481-Y483 PolarHBondContact OD1-N 2.86Å; Y483-E485 PolarHBondContact O-N 3.22Å; Y483-E485 VanDerWaalsContact O-N 3.14Å; Y483-T486 PolarHBondContact O-N 2.76Å; Y483-T486 PolarHBondContact O-OG1 3.43Å; Y483-Q541 WeakPolarHBondContact CB-O 3.37Å; Y483-Q541 HydrophobicContact CD1-CB 3.84Å; Y483-Q541 HydrophobicContact CD1-CG 3.75Å; Y483-Q541 HydrophobicContact CD2-CB 4.07Å; Y483-Q541 HydrophobicContact CD2-CG 4.27Å; Y483-Q541 HydrophobicContact CE1-CB 4.2Å; Y483-Q541 HydrophobicContact CE1-CG 3.59Å; Y483-Q541 HydrophobicContact CE2-CB 4.42Å; Y483-Q541 HydrophobicContact CE2-CG 4.13Å; Y483-Q541 HydrophobicContact CG-CB 3.77Å; Y483-Q541 HydrophobicContact CG-CG 4.1Å; Y483-D544 HydrophobicContact CD2-CB 4.25Å; Y483-D544 HydrophobicContact CE2-CB 4.44Å; Y483-L887 HydrophobicContact CE2-CD1 3.88Å
484	R	97.8	Very high	97.8	Very high	42 Å²	42	42.9 Å²	42.9	16%	0.158	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-52.6	-34.3	171.2	-174	-177.3	140.3	-126.1	-12.7	112.4	V474 R475 P479 D481 S482 T486 I487 Q489 Y545	V474-R484 WeakPolarHBondContact O-CD 3.4Å; R475-R484 PolarHBondContact O-NE 3.11Å; P479-R484 PolarHBondContact O-NH1 3.23Å; D481-R484 WeakPolarHBondContact O-CB 3.34Å; D481-R484 PolarHBondContact O-N 2.84Å; S482-R484 PolarHBondContact O-N 3.28Å; R484-T486 PolarHBondContact O-N 3.37Å; R484-I487 PolarHBondContact O-N 3.29Å; R484-Q489 PolarHBondContact O-NE2 2.87Å; R484-Q489 VanDerWaalsContact O-NE2 3.1Å; R484-Y545 HydrophobicContact CB-CD1 4.38Å; R484-Y545 HydrophobicContact CB-CD2 4.06Å; R484-Y545 HydrophobicContact CB-CE1 4.02Å; R484-Y545 HydrophobicContact CB-CE2 3.71Å; R484-Y545 HydrophobicContact CB-CG 4.39Å; R484-Y545 WeakPolarHBondContact CD-OH 3.3Å; R484-Y545 HydrophobicContact CG-CE1 3.86Å; R484-Y545 HydrophobicContact CG-CE2 4.2Å
485	E	96.8	Very high	97.8	Very high	76 Å²	76	48.5 Å²	48.5	36%	0.355	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-76.6	2.2	179.4	-70.1	-58.3	149.6	0	0	114.4	S482 Y483 I487 K733	S482-E485 PolarHBondContact O-N 2.73Å; S482-E485 VanDerWaalsContact O-N 3.16Å; Y483-E485 PolarHBondContact O-N 3.22Å; Y483-E485 VanDerWaalsContact O-N 3.14Å; E485-I487 VanDerWaalsContact C-N 3.34Å; E485-K733 WeakPolarHBondContact O-CD 3.39Å; E485-K733 WeakPolarHBondContact O-CE 3.37Å; E485-K733 PolarHBondContact O-NZ 3.42Å; E485-K733 IonicContact OE2-NZ 2.59Å; E485-K733 PolarHBondContact OE2-NZ 2.83Å
486	T	98.4	Very high	97.7	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.018	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-94.9	13.1	166.1	64.1	0	0	0	0	112.6	Y483 R484 Q538 Q541 G542 K733 I734	Y483-T486 PolarHBondContact O-N 2.76Å; Y483-T486 PolarHBondContact O-OG1 3.43Å; R484-T486 PolarHBondContact O-N 3.37Å; T486-Q538 WeakPolarHBondContact CB-O 3.48Å; T486-Q538 HydrophobicContact CG2-CB 4.21Å; T486-Q538 HydrophobicContact CG2-CG 4.34Å; T486-Q538 PolarHBondContact OG1-O 3.4Å; T486-Q541 HydrophobicContact CG2-CB 4.15Å; T486-G542 WeakPolarHBondContact OG1-CA 3.41Å; T486-G542 PolarHBondContact OG1-N 3Å; T486-K733 CarbonylContact O-C 3.49Å; T486-K733 WeakPolarHBondContact O-CA 3.42Å; T486-I734 PolarHBondContact O-N 2.87Å
487	I	98.6	Very high	97.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-130	142.3	177	-49.3	154.7	0	0	0	109.2	V474 R484 E485 Q489 Y545 L546 L737	V474-I487 HydrophobicContact CG1-CB 3.98Å; V474-I487 HydrophobicContact CG1-CD1 3.96Å; V474-I487 HydrophobicContact CG1-CG2 3.75Å; R484-I487 PolarHBondContact O-N 3.29Å; E485-I487 VanDerWaalsContact C-N 3.34Å; I487-Q489 PolarHBondContact O-N 2.88Å; I487-Q489 PolarHBondContact O-NE2 2.96Å; I487-Y545 HydrophobicContact CD1-CD1 3.43Å; I487-Y545 VanDerWaalsContact CD1-CD1 3.43Å; I487-Y545 HydrophobicContact CD1-CE1 4.19Å; I487-Y545 HydrophobicContact CD1-CG 4.21Å; I487-L546 HydrophobicContact CD1-CD1 4.39Å; I487-L546 HydrophobicContact CD1-CD2 4.02Å; I487-L546 HydrophobicContact CD1-CG 3.77Å; I487-L737 HydrophobicContact CG2-CD1 4.27Å
488	V	98	Very high	97.5	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.042	26%	0.261	C	S	.	.			trans	-61.1	128.8	-178.7	69	0	0	0	0	112.7	L471 L508 E509 L511 I734 A735	L471-V488 HydrophobicContact CD2-CG1 4.1Å; V488-L508 HydrophobicContact CG2-CB 4.19Å; V488-L508 HydrophobicContact CG2-CD2 4.18Å; V488-E509 WeakPolarHBondContact CA-OE1 3.49Å; V488-E509 HydrophobicContact CG2-CG 4.09Å; V488-L511 HydrophobicContact CB-CD1 4.15Å; V488-L511 HydrophobicContact CG2-CD1 3.83Å; V488-I734 PolarHBondContact N-O 3.26Å; V488-A735 HydrophobicContact CB-CB 4.3Å; V488-A735 HydrophobicContact CG1-CB 4.04Å
489	Q	97.2	Very high	97.2	Very high	16 Å²	16	50.7 Å²	50.7	8%	0.075	29%	0.287	C	S	.	.			trans	-95.9	132.2	-174.3	-60.3	-60.6	-61.6	0	0	113.2	R484 I487 E509	R484-Q489 PolarHBondContact O-NE2 2.87Å; R484-Q489 VanDerWaalsContact O-NE2 3.1Å; I487-Q489 PolarHBondContact O-N 2.88Å; I487-Q489 PolarHBondContact O-NE2 2.96Å; Q489-E509 PolarHBondContact N-OE1 3.42Å
490	L	98.1	Very high	97.1	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	114.9	174.5	-177.4	74.8	0	0	0	112.2	I468 L471 R472 R475 M506 L508	I468-L490 HydrophobicContact CG2-CD2 4.25Å; L471-L490 HydrophobicContact CB-CB 3.92Å; L471-L490 HydrophobicContact CB-CD2 4.12Å; L471-L490 HydrophobicContact CD1-CB 4.46Å; L471-L490 HydrophobicContact CD1-CD1 4.39Å; R472-L490 HydrophobicContact CG-CD2 3.9Å; R475-L490 WeakPolarHBondContact CD-O 3.09Å; R475-L490 PolarHBondContact NH1-O 3.18Å; L490-M506 HydrophobicContact CD1-CB 3.9Å; L490-M506 HydrophobicContact CD1-CG 4.15Å; L490-L508 HydrophobicContact CB-CD2 4.39Å; L490-L508 HydrophobicContact CD1-CD2 4.02Å
491	I	97.3	Very high	97	Very high	40 Å²	40	43.6 Å²	43.6	21%	0.205	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-44.3	-176	-58.4	171.5	0	0	0	112.2	V449 V507 L508	V449-I491 HydrophobicContact CB-CD1 4.32Å; V449-I491 HydrophobicContact CG1-CD1 3.68Å; I491-V507 HydrophobicContact CB-CB 4.41Å; I491-V507 HydrophobicContact CB-CG1 4.17Å; I491-V507 WeakPolarHBondContact CB-O 3.33Å; I491-V507 HydrophobicContact CD1-CG1 4.43Å; I491-V507 HydrophobicContact CG2-CG1 4.44Å; I491-V507 PolarHBondContact N-O 2.9Å; I491-L508 VanDerWaalsContact CD1-C 3.42Å; I491-L508 WeakPolarHBondContact CD1-O 3.18Å
492	D	98	Very high	97	Very high	34 Å²	34	45.8 Å²	45.8	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	154.6	-175.5	-164.7	6	0	0	0	109.2	R422 Y423 V507	R422-D492 IonicContact NH1-OD2 2.67Å; R422-D492 PolarHBondContact NH1-OD2 3.03Å; Y423-D492 HydrophobicContact CE2-CB 4.39Å; Y423-D492 WeakPolarHBondContact CE2-OD2 3.23Å; Y423-D492 WeakPolarHBondContact OH-CB 3.41Å; Y423-D492 PolarHBondContact OH-OD2 2.91Å; Y423-D492 VanDerWaalsContact OH-OD2 3.08Å; D492-V507 HydrophobicContact CB-CB 3.99Å; D492-V507 HydrophobicContact CB-CG2 4.07Å; D492-V507 PolarHBondContact N-O 3.25Å; D492-V507 WeakPolarHBondContact O-CB 3.2Å; D492-V507 PolarHBondContact O-N 2.97Å
493	D	98.3	Very high	97	Very high	38 Å²	38	41.6 Å²	41.6	20%	0.203	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	140	172.5	67.5	-99.7	0	0	0	111.7	I468 R472 C505	I468-D493 HydrophobicContact CD1-CB 3.84Å; I468-D493 HydrophobicContact CG1-CB 4.27Å; R472-D493 IonicContact CZ-OD1 2.72Å; R472-D493 VanDerWaalsContact CZ-OD1 3.3Å; R472-D493 IonicContact CZ-OD2 2.71Å; R472-D493 IonicContact NE-OD1 2.7Å; R472-D493 PolarHBondContact NE-OD1 3.44Å; R472-D493 VanDerWaalsContact NE-OD1 3.08Å; R472-D493 IonicContact NH2-OD1 3.17Å; R472-D493 PolarHBondContact NH2-OD1 2.88Å; R472-D493 IonicContact NH2-OD2 3.62Å; R472-D493 PolarHBondContact NH2-OD2 2.93Å; D493-C505 WeakPolarHBondContact CA-O 3.45Å
494	F	98.4	Very high	97	Very high	22 Å²	22	38.6 Å²	38.6	10%	0.096	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	174.9	-176.8	57.9	-91.6	0	0	0	111.8	F419 N420 Y423 M451 I496 C505 V507	F419-F494 HydrophobicContact CB-CE2 3.93Å; F419-F494 HydrophobicContact CB-CZ 3.88Å; N420-F494 HydrophobicContact CB-CD1 4Å; N420-F494 HydrophobicContact CB-CD2 4.25Å; N420-F494 HydrophobicContact CB-CE1 4.01Å; N420-F494 HydrophobicContact CB-CE2 4.27Å; N420-F494 HydrophobicContact CB-CG 4.13Å; N420-F494 HydrophobicContact CB-CZ 4.15Å; Y423-F494 AromaticContact CD2-CE1 3.64Å; Y423-F494 HydrophobicContact CD2-CE1 3.64Å; Y423-F494 HydrophobicContact CD2-CZ 4.03Å; Y423-F494 HydrophobicContact CE2-CD1 4.41Å; Y423-F494 AromaticContact CE2-CE1 3.71Å; Y423-F494 HydrophobicContact CE2-CE1 3.71Å; M451-F494 HydrophobicContact SD-CZ 3.97Å; F494-I496 HydrophobicContact CD2-CG2 3.73Å; F494-I496 HydrophobicContact CE2-CG2 3.57Å; F494-C505 HydrophobicContact CD1-CB 4.42Å; F494-C505 HydrophobicContact CD2-CB 3.77Å; F494-C505 HydrophobicContact CE1-CB 4.19Å; F494-C505 HydrophobicContact CE2-CB 3.48Å; F494-C505 VanDerWaalsContact CE2-CB 3.48Å; F494-C505 HydrophobicContact CG-CB 4.22Å; F494-C505 HydrophobicContact CZ-CB 3.71Å; F494-C505 PolarHBondContact N-O 3.39Å; F494-C505 PolarHBondContact O-N 3.29Å; F494-V507 HydrophobicContact CD1-CG2 4.43Å; F494-V507 HydrophobicContact CE1-CG2 3.68Å
495	K	98.1	Very high	97	Very high	118 Å²	118	36.6 Å²	36.6	51%	0.513	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.2	177	-65.4	-176.1	-178.7	-177.3	0	110.9	V502 H503	K495-V502 HydrophobicContact CB-CG1 3.93Å; K495-V502 HydrophobicContact CD-CG1 4.24Å; K495-V502 HydrophobicContact CG-CG1 4.47Å; K495-H503 VanDerWaalsContact CA-O 3.3Å; K495-H503 WeakPolarHBondContact CA-O 3.48Å
496	I	96.9	Very high	97.1	Very high	16 Å²	16	33 Å²	33	8%	0.082	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.2	177.5	65.3	177.6	0	0	0	110.7	Y411 F419 V453 F494 V502 H503 C505	Y411-I496 HydrophobicContact CD1-CD1 3.99Å; Y411-I496 HydrophobicContact CD2-CD1 3.48Å; Y411-I496 VanDerWaalsContact CD2-CD1 3.48Å; Y411-I496 HydrophobicContact CD2-CG1 3.89Å; Y411-I496 HydrophobicContact CE1-CD1 4.1Å; Y411-I496 HydrophobicContact CE2-CB 4.47Å; Y411-I496 HydrophobicContact CE2-CD1 3.57Å; Y411-I496 HydrophobicContact CE2-CG1 3.89Å; Y411-I496 HydrophobicContact CG-CD1 3.69Å; F419-I496 HydrophobicContact CD1-CD1 4.15Å; F419-I496 HydrophobicContact CD1-CG2 3.83Å; F419-I496 HydrophobicContact CE1-CD1 3.72Å; F419-I496 HydrophobicContact CE1-CG2 4.35Å; F419-I496 HydrophobicContact CZ-CD1 4.42Å; V453-I496 HydrophobicContact CG1-CD1 3.98Å; F494-I496 HydrophobicContact CD2-CG2 3.73Å; F494-I496 HydrophobicContact CE2-CG2 3.57Å; I496-V502 CarbonylContact O-C 3.52Å; I496-V502 WeakPolarHBondContact O-CA 3.42Å; I496-H503 HydrophobicContact CD1-CB 4.44Å; I496-H503 HydrophobicContact CG1-CB 3.84Å; I496-H503 PolarHBondContact N-O 3.38Å; I496-H503 PolarHBondContact O-N 3.08Å; I496-C505 VanDerWaalsContact CD1-SG 3.59Å
497	S	96.6	Very high	97.1	Very high	99 Å²	99	32.8 Å²	32.8	69%	0.692	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.1	173.2	-58.1	0	0	0	0	110
498	G	92.5	Very high	97.1	Very high	29 Å²	29	33.8 Å²	33.8	30%	0.299	20%	0.196	S	C	.	.			trans	-131.6	-179.6	176.7	0	0	0	0	0	112.1	N500 G501	G498-N500 PolarHBondContact O-N 3.35Å; G498-G501 PolarHBondContact N-O 2.9Å; G498-G501 PolarHBondContact O-N 3.05Å
499	I	91.6	Very high	97	Very high	146 Å²	146	35.2 Å²	35.2	75%	0.749	20%	0.202	S	C	*	.	S	Bend	trans	-62.8	-26.5	175.1	55.4	170.6	0	0	0	112.8	P412	P412-I499 HydrophobicContact CG-CD1 4.44Å; P412-I499 HydrophobicContact CG-CG1 4.43Å
500	N	94.2	Very high	97	Very high	13 Å²	13	35.4 Å²	35.4	7%	0.07	20%	0.204	C	C	.	.	S	Bend	trans	-91.8	-17.8	-174.6	-70.9	-16.3	0	0	0	113.5	Y405 C406 K407 G408 Y410 S456 G498	Y405-N500 PolarHBondContact O-ND2 2.96Å; Y405-N500 PolarHBondContact O-OD1 2.84Å; C406-N500 VanDerWaalsContact C-CG 3.4Å; C406-N500 VanDerWaalsContact C-OD1 3.3Å; C406-N500 VanDerWaalsContact O-CB 3.26Å; C406-N500 WeakPolarHBondContact O-CB 3.47Å; C406-N500 PolarHBondContact O-ND2 2.95Å; C406-N500 PolarHBondContact O-OD1 3.14Å; K407-N500 CarbonylContact C-O 3.59Å; K407-N500 WeakPolarHBondContact CA-O 3.49Å; K407-N500 WeakPolarHBondContact CG-O 3.25Å; G408-N500 PolarHBondContact N-O 2.84Å; Y410-N500 PolarHBondContact O-ND2 2.94Å; S456-N500 PolarHBondContact OG-O 2.64Å; S456-N500 VanDerWaalsContact OG-O 3.11Å; G498-N500 PolarHBondContact O-N 3.35Å
501	G	95.9	Very high	96.8	Very high	29 Å²	29	36.3 Å²	36.3	30%	0.299	21%	0.209	S	C	.	.			trans	153.7	-156.9	177.4	0	0	0	0	0	112.4	G498 H503	G498-G501 PolarHBondContact N-O 2.9Å; G498-G501 PolarHBondContact O-N 3.05Å; G501-H503 PolarHBondContact O-CD2 2.72Å
502	V	97.6	Very high	96.6	Very high	76 Å²	76	35 Å²	35	46%	0.461	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.1	164.8	179.7	0	0	0	0	107.4	S456 K495 I496	S456-V502 VanDerWaalsContact CB-O 3.32Å; S456-V502 WeakPolarHBondContact CB-O 3.34Å; K495-V502 HydrophobicContact CB-CG1 3.93Å; K495-V502 HydrophobicContact CD-CG1 4.24Å; K495-V502 HydrophobicContact CG-CG1 4.47Å; I496-V502 CarbonylContact O-C 3.52Å; I496-V502 WeakPolarHBondContact O-CA 3.42Å
503	H	98.3	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.8	-177	-58.4	-112.1	0	0	0	109.9	G409 Y410 Y411 V453 V454 S456 K495 I496 G501	G409-H503 PolarHBondContact O-CE1 3.45Å; Y410-H503 VanDerWaalsContact C-CE1 3.48Å; Y411-H503 AromaticContact CD2-CD2 3.57Å; Y411-H503 AromaticContact CD2-NE2 3.73Å; Y411-H503 PolarHBondContact N-CE1 2.74Å; Y411-H503 VanDerWaalsContact N-CE1 3.34Å; V453-H503 HydrophobicContact CG1-CB 4.4Å; V454-H503 WeakPolarHBondContact O-CB 3.42Å; V454-H503 PolarHBondContact O-ND1 3.33Å; S456-H503 VanDerWaalsContact CB-CE1 3.41Å; S456-H503 WeakPolarHBondContact CB-CE1 3.46Å; S456-H503 PolarHBondContact OG-CE1 3.15Å; S456-H503 VanDerWaalsContact OG-CE1 3.29Å; K495-H503 VanDerWaalsContact CA-O 3.3Å; K495-H503 WeakPolarHBondContact CA-O 3.48Å; I496-H503 HydrophobicContact CD1-CB 4.44Å; I496-H503 HydrophobicContact CG1-CB 3.84Å; I496-H503 PolarHBondContact N-O 3.38Å; I496-H503 PolarHBondContact O-N 3.08Å; G501-H503 PolarHBondContact O-CD2 2.72Å
504	V	98.3	Very high	96	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	136.3	171.6	-179.2	0	0	0	0	109	V454 T461 A464 L465 I468	V454-V504 PolarHBondContact N-O 3.13Å; T461-V504 HydrophobicContact CG2-CG2 3.97Å; A464-V504 HydrophobicContact CB-CB 4.06Å; A464-V504 HydrophobicContact CB-CG1 4.02Å; A464-V504 HydrophobicContact CB-CG2 4.34Å; L465-V504 HydrophobicContact CG-CG2 4.4Å; I468-V504 HydrophobicContact CD1-CG1 3.5Å; I468-V504 VanDerWaalsContact CD1-CG1 3.5Å
505	C	98.5	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.1	175.7	-61.7	0	0	0	0	109	K452 D493 F494 I496	K452-C505 WeakPolarHBondContact O-CA 3.46Å; D493-C505 WeakPolarHBondContact CA-O 3.45Å; F494-C505 HydrophobicContact CD1-CB 4.42Å; F494-C505 HydrophobicContact CD2-CB 3.77Å; F494-C505 HydrophobicContact CE1-CB 4.19Å; F494-C505 HydrophobicContact CE2-CB 3.48Å; F494-C505 VanDerWaalsContact CE2-CB 3.48Å; F494-C505 HydrophobicContact CG-CB 4.22Å; F494-C505 HydrophobicContact CZ-CB 3.71Å; F494-C505 PolarHBondContact N-O 3.39Å; F494-C505 PolarHBondContact O-N 3.29Å; I496-C505 VanDerWaalsContact CD1-SG 3.59Å
506	M	98.6	Very high	95.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.2	172	-68.7	169.6	-79.7	0	0	109	M451 K452 V454 A464 E467 I468 L471 L490	M451-M506 CarbonylContact C-O 3.52Å; M451-M506 WeakPolarHBondContact CA-O 3.5Å; K452-M506 HydrophobicContact CB-CB 4.42Å; K452-M506 HydrophobicContact CB-CE 4.48Å; K452-M506 HydrophobicContact CD-CE 3.76Å; K452-M506 HydrophobicContact CG-CE 4.01Å; K452-M506 PolarHBondContact N-O 3.35Å; K452-M506 PolarHBondContact O-N 2.95Å; V454-M506 HydrophobicContact CG2-CE 3.8Å; A464-M506 HydrophobicContact CB-CE 4.38Å; E467-M506 HydrophobicContact CB-SD 4.48Å; E467-M506 HydrophobicContact CG-SD 4.08Å; E467-M506 WeakPolarHBondContact OE2-CE 3.4Å; I468-M506 HydrophobicContact CD1-CG 3.79Å; I468-M506 HydrophobicContact CD1-SD 4.32Å; I468-M506 HydrophobicContact CG1-CG 3.6Å; I468-M506 HydrophobicContact CG1-SD 3.71Å; L471-M506 HydrophobicContact CD1-SD 4.22Å; L490-M506 HydrophobicContact CD1-CB 3.9Å; L490-M506 HydrophobicContact CD1-CG 4.15Å
507	V	98.5	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.6	175.5	-173.2	0	0	0	0	108.4	Y423 V449 A450 I491 D492 F494	Y423-V507 HydrophobicContact CD1-CG1 4.48Å; Y423-V507 HydrophobicContact CD2-CG2 4.22Å; Y423-V507 HydrophobicContact CE1-CG1 3.83Å; Y423-V507 HydrophobicContact CE1-CG2 4.35Å; Y423-V507 HydrophobicContact CE2-CG2 3.76Å; V449-V507 HydrophobicContact CB-CG1 3.59Å; V449-V507 HydrophobicContact CG1-CG1 4.01Å; V449-V507 HydrophobicContact CG2-CG1 3.56Å; A450-V507 WeakPolarHBondContact O-CA 3.4Å; I491-V507 HydrophobicContact CB-CB 4.41Å; I491-V507 HydrophobicContact CB-CG1 4.17Å; I491-V507 WeakPolarHBondContact CB-O 3.33Å; I491-V507 HydrophobicContact CD1-CG1 4.43Å; I491-V507 HydrophobicContact CG2-CG1 4.44Å; I491-V507 PolarHBondContact N-O 2.9Å; D492-V507 HydrophobicContact CB-CB 3.99Å; D492-V507 HydrophobicContact CB-CG2 4.07Å; D492-V507 PolarHBondContact N-O 3.25Å; D492-V507 WeakPolarHBondContact O-CB 3.2Å; D492-V507 PolarHBondContact O-N 2.97Å; F494-V507 HydrophobicContact CD1-CG2 4.43Å; F494-V507 HydrophobicContact CE1-CG2 3.68Å
508	L	98.2	Very high	95.4	Very high	20 Å²	20	24.3 Å²	24.3	11%	0.105	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	163.5	-174.9	-58.1	166.4	0	0	0	109.1	A450 K452 L471 V488 L490 I491	A450-L508 HydrophobicContact CB-CB 4.47Å; A450-L508 PolarHBondContact N-O 3.03Å; A450-L508 PolarHBondContact O-N 3.13Å; K452-L508 HydrophobicContact CB-CD1 4.47Å; L471-L508 HydrophobicContact CD1-CD2 4.2Å; V488-L508 HydrophobicContact CG2-CB 4.19Å; V488-L508 HydrophobicContact CG2-CD2 4.18Å; L490-L508 HydrophobicContact CB-CD2 4.39Å; L490-L508 HydrophobicContact CD1-CD2 4.02Å; I491-L508 VanDerWaalsContact CD1-C 3.42Å; I491-L508 WeakPolarHBondContact CD1-O 3.18Å
509	E	96.3	Very high	95.5	Very high	38 Å²	38	23 Å²	23	18%	0.178	13%	0.129	C	C	.	.			trans	-60.1	158	166	64	-167.9	129.6	0	0	111.9	A450 V488 Q489 L511 K733	A450-E509 WeakPolarHBondContact CB-O 3.49Å; V488-E509 WeakPolarHBondContact CA-OE1 3.49Å; V488-E509 HydrophobicContact CG2-CG 4.09Å; Q489-E509 PolarHBondContact N-OE1 3.42Å; E509-L511 HydrophobicContact CG-CD1 4.35Å; E509-L511 HydrophobicContact CG-CD2 4.41Å; E509-L511 HydrophobicContact CG-CG 4.14Å; E509-K733 WeakPolarHBondContact OE1-CD 3.36Å; E509-K733 IonicContact OE1-NZ 3.2Å; E509-K733 PolarHBondContact OE1-NZ 3.3Å; E509-K733 VanDerWaalsContact OE2-CE 3.29Å; E509-K733 WeakPolarHBondContact OE2-CE 3.48Å; E509-K733 IonicContact OE2-NZ 2.77Å; E509-K733 PolarHBondContact OE2-NZ 3.39Å
510	V	96.3	Very high	95.6	Very high	19 Å²	19	18.7 Å²	18.7	12%	0.115	11%	0.107	C	C	.	.			trans	-83.3	123.4	175	-175.7	0	0	0	0	108.7	L439 F448 V571	L439-V510 HydrophobicContact CD1-CG1 4.2Å; L439-V510 HydrophobicContact CD1-CG2 3.75Å; F448-V510 HydrophobicContact CB-CG2 3.93Å; V510-V571 HydrophobicContact CB-CG1 4.44Å; V510-V571 HydrophobicContact CB-CG2 4.27Å; V510-V571 HydrophobicContact CG1-CG1 4.09Å; V510-V571 HydrophobicContact CG1-CG2 3.73Å; V510-V571 HydrophobicContact CG2-CG1 4.35Å
511	L	95.4	Very high	95.5	Very high	23 Å²	23	22.9 Å²	22.9	12%	0.12	13%	0.125	C	C	.	.			trans	-118.3	163.5	172.4	-64.4	170	0	0	0	109.6	V488 E509 L563 V565 K733	V488-L511 HydrophobicContact CB-CD1 4.15Å; V488-L511 HydrophobicContact CG2-CD1 3.83Å; E509-L511 HydrophobicContact CG-CD1 4.35Å; E509-L511 HydrophobicContact CG-CD2 4.41Å; E509-L511 HydrophobicContact CG-CG 4.14Å; L511-L563 HydrophobicContact CB-CB 3.99Å; L511-L563 HydrophobicContact CB-CD1 3.89Å; L511-L563 HydrophobicContact CD1-CB 4.12Å; L511-L563 HydrophobicContact CD1-CD1 3.86Å; L511-V565 HydrophobicContact CD2-CB 4.35Å; L511-V565 HydrophobicContact CD2-CG2 3.91Å; L511-K733 HydrophobicContact CD1-CB 4.1Å; L511-K733 HydrophobicContact CD1-CD 4.41Å; L511-K733 HydrophobicContact CD2-CD 4.16Å; L511-K733 HydrophobicContact CD2-CG 4.27Å
512	G	92.1	Very high	95.5	Very high	12 Å²	12	22.3 Å²	22.3	12%	0.124	12%	0.116	C	C	.	.			trans	-85.1	-146.6	-179.1	0	0	0	0	0	113.3	L564	G512-L564 WeakPolarHBondContact CA-O 3.25Å; G512-L564 PolarHBondContact N-O 3.12Å
513	H	91.1	Very high	95.4	Very high	33 Å²	33	24.6 Å²	24.6	15%	0.153	13%	0.126	C	C	.	.			trans	-78.2	148.2	-179.6	-63	106.2	0	0	0	112.1	K517 L564	H513-K517 HydrophobicContact CB-CD 4.38Å; H513-L564 PolarHBondContact O-N 3.05Å; H513-L564 VanDerWaalsContact O-N 3.09Å
514	Q	93.2	Very high	95.2	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.019	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-71.5	154.4	170.2	71.9	-153.1	50	0	0	112.1	L2 A4 L516 K517 E560 I562 L563	L2-Q514 PolarHBondContact O-NE2 3.45Å; L2-Q514 VanDerWaalsContact O-NE2 3.09Å; L2-Q514 PolarHBondContact O-OE1 2.87Å; A4-Q514 VanDerWaalsContact N-OE1 3.13Å; Q514-L516 VanDerWaalsContact C-N 3.29Å; Q514-L516 HydrophobicContact CG-CB 4.3Å; Q514-L516 PolarHBondContact O-N 3.48Å; Q514-K517 PolarHBondContact O-N 3.12Å; Q514-K517 VanDerWaalsContact O-N 3.14Å; Q514-E560 VanDerWaalsContact CB-O 3.31Å; Q514-E560 WeakPolarHBondContact CB-O 3.38Å; Q514-I562 VanDerWaalsContact CA-O 3.29Å; Q514-I562 WeakPolarHBondContact CA-O 3.35Å; Q514-L563 HydrophobicContact CB-CD2 3.5Å; Q514-L563 VanDerWaalsContact CB-CD2 3.5Å
515	L	96.6	Very high	95.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.1	-176	-63.4	-178.1	0	0	0	113.7	K517 W518 I519 I535 P559 I562 L564 V732 L783	L515-K517 PolarHBondContact O-N 3.5Å; L515-K517 VanDerWaalsContact O-N 3.14Å; L515-W518 WeakPolarHBondContact O-CA 3.41Å; L515-W518 WeakPolarHBondContact O-CB 3.2Å; L515-W518 PolarHBondContact O-N 2.92Å; L515-I519 PolarHBondContact O-N 3.08Å; L515-I535 HydrophobicContact CD1-CD1 4.35Å; L515-I535 HydrophobicContact CD1-CG2 3.54Å; L515-I535 HydrophobicContact CD2-CD1 4.02Å; L515-P559 HydrophobicContact CB-CB 4.02Å; L515-P559 PolarHBondContact N-O 2.96Å; L515-I562 HydrophobicContact CD1-CB 3.77Å; L515-I562 HydrophobicContact CD1-CG2 3.6Å; L515-I562 HydrophobicContact CG-CB 4.09Å; L515-I562 HydrophobicContact CG-CG2 4.05Å; L515-I562 PolarHBondContact N-O 3.08Å; L515-I562 VanDerWaalsContact N-O 3.1Å; L515-L564 HydrophobicContact CD2-CD2 4.49Å; L515-L564 HydrophobicContact CD2-CG 4.35Å; L515-V732 HydrophobicContact CD2-CG1 4.46Å; L515-L783 HydrophobicContact CB-CD2 4.08Å; L515-L783 HydrophobicContact CD1-CD1 3.94Å; L515-L783 HydrophobicContact CD1-CD2 3.98Å
516	L	94.3	Very high	95.1	Very high	24 Å²	24	36.9 Å²	36.9	13%	0.126	18%	0.182	C	C	.	.	H	α-helix	trans	-53.8	-36.2	174.9	-179.7	61.2	0	0	0	112.3	Q514 W518 I519 I520 P559 E560	Q514-L516 VanDerWaalsContact C-N 3.29Å; Q514-L516 HydrophobicContact CG-CB 4.3Å; Q514-L516 PolarHBondContact O-N 3.48Å; L516-W518 PolarHBondContact O-N 3.36Å; L516-I519 PolarHBondContact O-N 3.38Å; L516-I520 HydrophobicContact CD1-CD1 4.35Å; L516-I520 HydrophobicContact CD1-CG1 4.41Å; L516-I520 HydrophobicContact CG-CD1 3.99Å; L516-I520 VanDerWaalsContact O-CG1 3.3Å; L516-I520 WeakPolarHBondContact O-CG1 3.33Å; L516-I520 PolarHBondContact O-N 2.8Å; L516-P559 HydrophobicContact CB-CB 4.06Å; L516-P559 PolarHBondContact N-O 3.11Å; L516-P559 VanDerWaalsContact N-O 3.13Å; L516-E560 HydrophobicContact CB-CG 4.09Å; L516-E560 HydrophobicContact CD2-CG 3.57Å; L516-E560 HydrophobicContact CG-CG 4.45Å
517	K	91.9	Very high	95.1	Very high	34 Å²	34	37.3 Å²	37.3	15%	0.148	19%	0.185	C	C	.	.	H	α-helix	trans	-66.7	-22.7	177.7	-170.2	161.9	-174.8	152.3	0	112.7	D395 H513 Q514 L515 K521	D395-K517 WeakPolarHBondContact OD2-CD 3.3Å; D395-K517 VanDerWaalsContact OD2-CE 3.3Å; D395-K517 WeakPolarHBondContact OD2-CE 3.46Å; D395-K517 IonicContact OD2-NZ 2.98Å; D395-K517 PolarHBondContact OD2-NZ 3.45Å; H513-K517 HydrophobicContact CB-CD 4.38Å; Q514-K517 PolarHBondContact O-N 3.12Å; Q514-K517 VanDerWaalsContact O-N 3.14Å; L515-K517 PolarHBondContact O-N 3.5Å; L515-K517 VanDerWaalsContact O-N 3.14Å; K517-K521 WeakPolarHBondContact O-CB 3.36Å; K517-K521 VanDerWaalsContact O-CG 3.28Å; K517-K521 WeakPolarHBondContact O-CG 3.34Å; K517-K521 PolarHBondContact O-N 3.29Å
518	W	94.9	Very high	95	Very high	8 Å²	8	38.9 Å²	38.9	3%	0.03	20%	0.195	C	C	.	.	H	α-helix	trans	-88	-33.8	175.6	-64.9	102.1	0	0	0	112.9	L515 L516 I520 K521 S522 L564 V718 N720 P721 L722	L515-W518 WeakPolarHBondContact O-CA 3.41Å; L515-W518 WeakPolarHBondContact O-CB 3.2Å; L515-W518 PolarHBondContact O-N 2.92Å; L516-W518 PolarHBondContact O-N 3.36Å; W518-I520 VanDerWaalsContact C-N 3.33Å; W518-K521 HydrophobicContact CD2-CD 4.08Å; W518-K521 HydrophobicContact CE3-CB 4.36Å; W518-K521 HydrophobicContact CE3-CD 3.42Å; W518-K521 VanDerWaalsContact CE3-CD 3.42Å; W518-K521 HydrophobicContact CH2-CD 4.31Å; W518-K521 VanDerWaalsContact CH2-NZ 3.28Å; W518-K521 HydrophobicContact CZ3-CD 3.56Å; W518-K521 VanDerWaalsContact CZ3-NZ 3.33Å; W518-K521 CarbonylContact O-C 3.51Å; W518-K521 PolarHBondContact O-N 3.2Å; W518-S522 PolarHBondContact O-N 3.44Å; W518-L564 HydrophobicContact CZ2-CD1 4.34Å; W518-V718 HydrophobicContact CH2-CG1 4.45Å; W518-V718 HydrophobicContact CZ2-CG1 3.83Å; W518-N720 WeakPolarHBondContact CZ3-OD1 3.49Å; W518-P721 HydrophobicContact CB-CG 3.94Å; W518-P721 HydrophobicContact CD2-CG 3.49Å; W518-P721 VanDerWaalsContact CD2-CG 3.49Å; W518-P721 HydrophobicContact CE3-CG 3.82Å; W518-P721 HydrophobicContact CG-CG 3.54Å; W518-P721 HydrophobicContact CZ3-CG 4.46Å; W518-L722 HydrophobicContact CE3-CD1 4.24Å; W518-L722 HydrophobicContact CE3-CG 4.13Å
519	I	94.8	Very high	95	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.8	-47.8	167.4	-58.2	173.1	0	0	0	109.5	L515 L516 K521 S522 N523 Y524 L527 P559 E782 L783	L515-I519 PolarHBondContact O-N 3.08Å; L516-I519 PolarHBondContact O-N 3.38Å; I519-K521 PolarHBondContact O-N 2.86Å; I519-S522 PolarHBondContact O-N 3.43Å; I519-S522 VanDerWaalsContact O-N 3.15Å; I519-S522 PolarHBondContact O-OG 2.99Å; I519-N523 PolarHBondContact O-N 3.49Å; I519-Y524 HydrophobicContact CG2-CD1 3.67Å; I519-Y524 HydrophobicContact CG2-CE1 4.16Å; I519-Y524 HydrophobicContact CG2-CG 4.39Å; I519-Y524 PolarHBondContact O-N 2.84Å; I519-L527 HydrophobicContact CG1-CD1 4.11Å; I519-P559 HydrophobicContact CD1-CB 3.78Å; I519-P559 HydrophobicContact CD1-CG 3.7Å; I519-E782 HydrophobicContact CD1-CG 4.2Å; I519-E782 WeakPolarHBondContact CD1-OE1 3.42Å; I519-L783 HydrophobicContact CD1-CD2 3.93Å; I519-L783 HydrophobicContact CG1-CD2 4.08Å
520	I	92.8	Very high	95.1	Very high	56 Å²	56	40.8 Å²	40.8	29%	0.287	21%	0.208	S	C	.	.	H	α-helix	trans	-58.1	-44.7	173.9	-66.7	165.1	0	0	0	111.4	L516 W518 S522 N523 Y524	L516-I520 HydrophobicContact CD1-CD1 4.35Å; L516-I520 HydrophobicContact CD1-CG1 4.41Å; L516-I520 HydrophobicContact CG-CD1 3.99Å; L516-I520 VanDerWaalsContact O-CG1 3.3Å; L516-I520 WeakPolarHBondContact O-CG1 3.33Å; L516-I520 PolarHBondContact O-N 2.8Å; W518-I520 VanDerWaalsContact C-N 3.33Å; I520-S522 VanDerWaalsContact C-N 3.32Å; I520-S522 PolarHBondContact O-N 2.91Å; I520-N523 WeakPolarHBondContact O-CA 3.31Å; I520-N523 PolarHBondContact O-N 3.19Å; I520-Y524 HydrophobicContact CG1-CE1 4.47Å
521	K	92.8	Very high	95.2	Very high	102 Å²	102	39.9 Å²	39.9	44%	0.443	20%	0.203	S	C	.	.	H	α-helix	trans	-66.9	-26.5	177.2	-80.9	176.1	169.4	-167.3	0	114.4	K517 W518 I519 N523 L722	K517-K521 WeakPolarHBondContact O-CB 3.36Å; K517-K521 VanDerWaalsContact O-CG 3.28Å; K517-K521 WeakPolarHBondContact O-CG 3.34Å; K517-K521 PolarHBondContact O-N 3.29Å; W518-K521 HydrophobicContact CD2-CD 4.08Å; W518-K521 HydrophobicContact CE3-CB 4.36Å; W518-K521 HydrophobicContact CE3-CD 3.42Å; W518-K521 VanDerWaalsContact CE3-CD 3.42Å; W518-K521 HydrophobicContact CH2-CD 4.31Å; W518-K521 VanDerWaalsContact CH2-NZ 3.28Å; W518-K521 HydrophobicContact CZ3-CD 3.56Å; W518-K521 VanDerWaalsContact CZ3-NZ 3.33Å; W518-K521 CarbonylContact O-C 3.51Å; W518-K521 PolarHBondContact O-N 3.2Å; I519-K521 PolarHBondContact O-N 2.86Å; K521-N523 PolarHBondContact O-N 2.95Å; K521-L722 HydrophobicContact CB-CD1 4.05Å
522	S	94.5	Very high	95.3	Very high	16 Å²	16	38.8 Å²	38.8	11%	0.112	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-6.8	171.1	77.3	0	0	0	0	112.8	W518 I519 I520 Y524 M525 G526	W518-S522 PolarHBondContact O-N 3.44Å; I519-S522 PolarHBondContact O-N 3.43Å; I519-S522 VanDerWaalsContact O-N 3.15Å; I519-S522 PolarHBondContact O-OG 2.99Å; I520-S522 VanDerWaalsContact C-N 3.32Å; I520-S522 PolarHBondContact O-N 2.91Å; S522-Y524 VanDerWaalsContact C-N 3.31Å; S522-Y524 PolarHBondContact OG-N 2.93Å; S522-M525 WeakPolarHBondContact O-CB 3Å; S522-M525 VanDerWaalsContact O-CG 3.26Å; S522-M525 WeakPolarHBondContact O-CG 3.36Å; S522-M525 PolarHBondContact OG-N 2.8Å; S522-M525 VanDerWaalsContact OG-N 3.14Å; S522-G526 WeakPolarHBondContact CB-O 3.48Å; S522-G526 PolarHBondContact OG-O 2.87Å
523	N	95.6	Very high	95.6	Very high	125 Å²	125	39 Å²	39	67%	0.668	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	37.3	-166.6	-47.2	-80.2	0	0	0	112.6	I519 I520 K521 M525	I519-N523 PolarHBondContact O-N 3.49Å; I520-N523 WeakPolarHBondContact O-CA 3.31Å; I520-N523 PolarHBondContact O-N 3.19Å; K521-N523 PolarHBondContact O-N 2.95Å; N523-M525 VanDerWaalsContact C-N 3.34Å; N523-M525 PolarHBondContact O-N 2.81Å
524	Y	95.4	Very high	96	Very high	109 Å²	109	38 Å²	38	43%	0.427	19%	0.191	S	C	.	.	S	Bend	trans	58.8	40.1	-176.4	-53.9	-94.2	0	0	0	113.3	I519 I520 S522	I519-Y524 HydrophobicContact CG2-CD1 3.67Å; I519-Y524 HydrophobicContact CG2-CE1 4.16Å; I519-Y524 HydrophobicContact CG2-CG 4.39Å; I519-Y524 PolarHBondContact O-N 2.84Å; I520-Y524 HydrophobicContact CG1-CE1 4.47Å; S522-Y524 VanDerWaalsContact C-N 3.31Å; S522-Y524 PolarHBondContact OG-N 2.93Å
525	M	96.8	Very high	96.2	Very high	145 Å²	145	37.8 Å²	37.8	71%	0.714	19%	0.19	S	C	*	.	S	Bend	trans	-107.3	20.8	176.2	-55.1	-79.2	83.6	0	0	112.2	S522 N523	S522-M525 WeakPolarHBondContact O-CB 3Å; S522-M525 VanDerWaalsContact O-CG 3.26Å; S522-M525 WeakPolarHBondContact O-CG 3.36Å; S522-M525 PolarHBondContact OG-N 2.8Å; S522-M525 VanDerWaalsContact OG-N 3.14Å; N523-M525 VanDerWaalsContact C-N 3.34Å; N523-M525 PolarHBondContact O-N 2.81Å
526	G	96.6	Very high	96.3	Very high	6 Å²	6	37.8 Å²	37.8	6%	0.062	19%	0.19	C	C	.	.			trans	70.1	-173	-173.7	0	0	0	0	0	114.5	S522 L783	S522-G526 WeakPolarHBondContact CB-O 3.48Å; S522-G526 PolarHBondContact OG-O 2.87Å; G526-L783 CarbonylContact C-O 3.12Å
527	L	98.1	Very high	96.5	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.052	20%	0.198	C	C	.	.			trans	-116.9	156.7	172.5	-79.4	64.5	0	0	0	109.2	I519 L529 V532 I535 P721 L722 L783	I519-L527 HydrophobicContact CG1-CD1 4.11Å; L527-L529 PolarHBondContact O-N 2.89Å; L527-V532 HydrophobicContact CB-CG2 3.91Å; L527-I535 HydrophobicContact CD2-CD1 3.95Å; L527-P721 HydrophobicContact CD2-CB 4.09Å; L527-P721 HydrophobicContact CD2-CG 4.48Å; L527-L722 HydrophobicContact CD1-CD2 4.4Å; L527-L722 HydrophobicContact CG-CD2 4.09Å; L527-L783 WeakPolarHBondContact CB-O 3.49Å; L527-L783 HydrophobicContact CD1-CD2 4.3Å; L527-L783 HydrophobicContact CD2-CD2 4.25Å; L527-L783 PolarHBondContact N-O 3.49Å
528	P	98.1	Very high	96.9	Very high	32 Å²	32	39.1 Å²	39.1	21%	0.208	19%	0.193	C	C	.	.			trans	-53.1	132.5	172.9	-24.9	33.2	0	0	0	112.6	V530 C531 V532 P721 L722 P724	P528-V530 HydrophobicContact CB-CG2 4.34Å; P528-V530 PolarHBondContact O-N 3.48Å; P528-V530 VanDerWaalsContact O-N 3.1Å; P528-C531 HydrophobicContact CB-CB 4.49Å; P528-C531 WeakPolarHBondContact O-CA 3.45Å; P528-C531 VanDerWaalsContact O-CB 3.26Å; P528-C531 WeakPolarHBondContact O-CB 3.44Å; P528-C531 PolarHBondContact O-N 3.03Å; P528-V532 PolarHBondContact O-N 3.45Å; P528-V532 VanDerWaalsContact O-N 3.09Å; P528-P721 WeakPolarHBondContact CD-O 3.29Å; P528-L722 WeakPolarHBondContact CG-O 3.44Å; P528-P724 HydrophobicContact CB-CB 4.26Å; P528-P724 HydrophobicContact CB-CG 3.89Å; P528-P724 HydrophobicContact CG-CG 3.93Å
529	L	97.5	Very high	97.1	Very high	32 Å²	32	38.8 Å²	38.8	17%	0.168	19%	0.192	C	C	.	.	H	α-helix	trans	-57.1	-34.4	-170.7	-162.5	65	0	0	0	113.6	L527 C531 V532 K533 A784 W857 Q861 W891	L527-L529 PolarHBondContact O-N 2.89Å; L529-C531 VanDerWaalsContact C-N 3.33Å; L529-C531 PolarHBondContact O-N 3.46Å; L529-V532 PolarHBondContact O-N 2.82Å; L529-K533 WeakPolarHBondContact O-CG 3.5Å; L529-K533 PolarHBondContact O-N 3.18Å; L529-A784 HydrophobicContact CD1-CB 4.17Å; L529-W857 HydrophobicContact CD1-CH2 3.54Å; L529-W857 HydrophobicContact CD1-CZ2 4.41Å; L529-W857 HydrophobicContact CD1-CZ3 4.05Å; L529-W857 HydrophobicContact CD2-CH2 4.46Å; L529-W857 HydrophobicContact CD2-CZ3 4.22Å; L529-Q861 HydrophobicContact CD2-CB 4.47Å; L529-W891 HydrophobicContact CD1-CZ2 3.84Å; L529-W891 HydrophobicContact CG-CZ2 4.25Å
530	V	97.6	Very high	97.3	Very high	66 Å²	66	38.8 Å²	38.8	40%	0.4	19%	0.192	S	C	.	.	H	α-helix	trans	-63.3	-35.2	174.1	-67	0	0	0	0	113.1	P528 T534 P724 A727	P528-V530 HydrophobicContact CB-CG2 4.34Å; P528-V530 PolarHBondContact O-N 3.48Å; P528-V530 VanDerWaalsContact O-N 3.1Å; V530-T534 PolarHBondContact O-N 3.36Å; V530-P724 HydrophobicContact CG2-CB 3.89Å; V530-A727 HydrophobicContact CB-CB 4.1Å; V530-A727 HydrophobicContact CG2-CB 3.99Å
531	C	98.3	Very high	97.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.7	-42.7	172.8	-61.7	0	0	0	0	110.4	P528 L529 K533 T534 I535 P721 L730	P528-C531 HydrophobicContact CB-CB 4.49Å; P528-C531 WeakPolarHBondContact O-CA 3.45Å; P528-C531 VanDerWaalsContact O-CB 3.26Å; P528-C531 WeakPolarHBondContact O-CB 3.44Å; P528-C531 PolarHBondContact O-N 3.03Å; L529-C531 VanDerWaalsContact C-N 3.33Å; L529-C531 PolarHBondContact O-N 3.46Å; C531-K533 PolarHBondContact O-N 3.15Å; C531-T534 PolarHBondContact O-N 2.87Å; C531-I535 WeakPolarHBondContact O-CB 3.27Å; C531-I535 WeakPolarHBondContact O-CD1 3.26Å; C531-I535 VanDerWaalsContact O-CG1 3.25Å; C531-I535 WeakPolarHBondContact O-CG1 3.5Å; C531-I535 PolarHBondContact O-N 2.82Å; C531-P721 PolarHBondContact SG-O 2.78Å; C531-L730 HydrophobicContact CB-CD1 3.63Å
532	V	98.6	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-46.7	176.8	-174.5	0	0	0	0	110.9	L527 P528 L529 T534 I535 I536 L783 A784 W891	L527-V532 HydrophobicContact CB-CG2 3.91Å; P528-V532 PolarHBondContact O-N 3.45Å; P528-V532 VanDerWaalsContact O-N 3.09Å; L529-V532 PolarHBondContact O-N 2.82Å; V532-T534 PolarHBondContact O-N 2.95Å; V532-I535 PolarHBondContact O-N 2.64Å; V532-I536 HydrophobicContact CG1-CG1 4.03Å; V532-I536 WeakPolarHBondContact O-CB 3.4Å; V532-I536 WeakPolarHBondContact O-CG1 3.47Å; V532-I536 PolarHBondContact O-N 2.88Å; V532-L783 HydrophobicContact CG1-CB 3.99Å; V532-L783 HydrophobicContact CG2-CB 4.17Å; V532-L783 WeakPolarHBondContact CG2-O 3.45Å; V532-A784 HydrophobicContact CG1-CB 4.44Å; V532-A784 HydrophobicContact CG2-CB 4.35Å; V532-W891 HydrophobicContact CG1-CH2 4.32Å
533	K	98.6	Very high	98	Very high	17 Å²	17	32.5 Å²	32.5	7%	0.074	16%	0.161	C	C	.	.	H	α-helix	trans	-54.6	-49.4	175	-73.5	177.8	-179.7	-159.3	0	112.4	L529 C531 I535 I536 R537 W891 T894	L529-K533 WeakPolarHBondContact O-CG 3.5Å; L529-K533 PolarHBondContact O-N 3.18Å; C531-K533 PolarHBondContact O-N 3.15Å; K533-I535 PolarHBondContact O-N 2.91Å; K533-I536 PolarHBondContact O-N 2.9Å; K533-R537 WeakPolarHBondContact O-CB 3.36Å; K533-R537 PolarHBondContact O-N 3.43Å; K533-W891 HydrophobicContact CB-CH2 4.41Å; K533-W891 HydrophobicContact CD-CZ2 4.43Å; K533-W891 VanDerWaalsContact CD-O 3.23Å; K533-W891 WeakPolarHBondContact CD-O 3.34Å; K533-W891 WeakPolarHBondContact CE-O 3.41Å; K533-W891 HydrophobicContact CG-CD2 4.11Å; K533-W891 HydrophobicContact CG-CE3 4.11Å; K533-W891 HydrophobicContact CG-CH2 3.57Å; K533-W891 HydrophobicContact CG-CZ2 3.56Å; K533-W891 HydrophobicContact CG-CZ3 3.86Å; K533-W891 PolarHBondContact NZ-O 3.27Å; K533-T894 VanDerWaalsContact CD-OXT 3.3Å; K533-T894 WeakPolarHBondContact CD-OXT 3.32Å; K533-T894 PolarHBondContact NZ-O 3.06Å; K533-T894 PolarHBondContact NZ-OG1 3.31Å; K533-T894 PolarHBondContact NZ-OXT 3.43Å
534	T	98.3	Very high	98.2	Very high	11 Å²	11	27.7 Å²	27.7	7%	0.067	14%	0.135	C	C	.	.	H	α-helix	trans	-70.9	-29.3	-179.7	-71.6	0	0	0	0	113.6	V530 C531 V532 R537 Q538 A727 L730	V530-T534 PolarHBondContact O-N 3.36Å; C531-T534 PolarHBondContact O-N 2.87Å; V532-T534 PolarHBondContact O-N 2.95Å; T534-R537 PolarHBondContact OG1-NH2 2.9Å; T534-Q538 PolarHBondContact O-N 3.2Å; T534-Q538 PolarHBondContact O-NE2 3.35Å; T534-A727 VanDerWaalsContact CG2-O 3.26Å; T534-A727 WeakPolarHBondContact CG2-O 3.37Å; T534-L730 HydrophobicContact CG2-CB 4.49Å
535	I	98.6	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.2	-55.7	170.5	-72.1	165.3	0	0	0	110.4	L515 L527 C531 V532 K533 R537 Q538 V539 L730 V732 L783	L515-I535 HydrophobicContact CD1-CD1 4.35Å; L515-I535 HydrophobicContact CD1-CG2 3.54Å; L515-I535 HydrophobicContact CD2-CD1 4.02Å; L527-I535 HydrophobicContact CD2-CD1 3.95Å; C531-I535 WeakPolarHBondContact O-CB 3.27Å; C531-I535 WeakPolarHBondContact O-CD1 3.26Å; C531-I535 VanDerWaalsContact O-CG1 3.25Å; C531-I535 WeakPolarHBondContact O-CG1 3.5Å; C531-I535 PolarHBondContact O-N 2.82Å; V532-I535 PolarHBondContact O-N 2.64Å; K533-I535 PolarHBondContact O-N 2.91Å; I535-R537 VanDerWaalsContact C-N 3.34Å; I535-R537 PolarHBondContact O-N 2.97Å; I535-Q538 PolarHBondContact O-N 2.89Å; I535-V539 HydrophobicContact CG2-CG2 4.47Å; I535-V539 WeakPolarHBondContact O-CG2 3.38Å; I535-V539 PolarHBondContact O-N 2.85Å; I535-L730 HydrophobicContact CD1-CD1 4.31Å; I535-L730 HydrophobicContact CG1-CD1 4.39Å; I535-V732 HydrophobicContact CG1-CG1 4.21Å; I535-L783 HydrophobicContact CG2-CD1 4Å
536	I	98.8	Very high	98.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.4	-37.6	-175.5	-65.5	-59.8	0	0	0	111.4	V532 K533 Q538 V539 L540 T776 M779 A780 L783 F868 L892	V532-I536 HydrophobicContact CG1-CG1 4.03Å; V532-I536 WeakPolarHBondContact O-CB 3.4Å; V532-I536 WeakPolarHBondContact O-CG1 3.47Å; V532-I536 PolarHBondContact O-N 2.88Å; K533-I536 PolarHBondContact O-N 2.9Å; I536-Q538 VanDerWaalsContact C-N 3.32Å; I536-Q538 PolarHBondContact O-N 3.32Å; I536-V539 PolarHBondContact O-N 3.01Å; I536-L540 HydrophobicContact CG2-CD1 3.81Å; I536-L540 HydrophobicContact CG2-CG 4.26Å; I536-L540 WeakPolarHBondContact O-CB 3.33Å; I536-L540 VanDerWaalsContact O-CG 3.31Å; I536-L540 WeakPolarHBondContact O-CG 3.48Å; I536-L540 PolarHBondContact O-N 2.9Å; I536-T776 HydrophobicContact CD1-CG2 4.18Å; I536-T776 HydrophobicContact CG2-CG2 4.37Å; I536-M779 HydrophobicContact CD1-CE 4.04Å; I536-A780 HydrophobicContact CD1-CB 3.69Å; I536-A780 HydrophobicContact CG1-CB 3.81Å; I536-L783 HydrophobicContact CD1-CD1 4.11Å; I536-F868 HydrophobicContact CG2-CE1 4.09Å; I536-F868 HydrophobicContact CG2-CZ 3.97Å; I536-L892 HydrophobicContact CG2-CD2 4.38Å
537	R	98.8	Very high	98.6	Very high	78 Å²	78	16.1 Å²	16.1	29%	0.294	8%	0.082	S	C	.	.	H	α-helix	trans	-53.1	-45.9	170	178.8	167.7	54.9	135.1	-5.2	112.4	K533 T534 I535 Q541 L887 L892	K533-R537 WeakPolarHBondContact O-CB 3.36Å; K533-R537 PolarHBondContact O-N 3.43Å; T534-R537 PolarHBondContact OG1-NH2 2.9Å; I535-R537 VanDerWaalsContact C-N 3.34Å; I535-R537 PolarHBondContact O-N 2.97Å; R537-Q541 VanDerWaalsContact O-CG 3.3Å; R537-Q541 WeakPolarHBondContact O-CG 3.34Å; R537-Q541 PolarHBondContact O-N 3.44Å; R537-L887 HydrophobicContact CG-CD2 4.3Å; R537-L887 WeakPolarHBondContact O-CD2 3.31Å; R537-L892 HydrophobicContact CB-CD2 4.27Å
538	Q	98.8	Very high	98.6	Very high	9 Å²	9	18.4 Å²	18.4	4%	0.042	10%	0.096	C	C	.	.	H	α-helix	trans	-75	-32.9	179.2	-76.5	172.2	93.9	0	0	113.3	T486 T534 I535 I536 Q541 G542 L730 R731 V732	T486-Q538 WeakPolarHBondContact CB-O 3.48Å; T486-Q538 HydrophobicContact CG2-CB 4.21Å; T486-Q538 HydrophobicContact CG2-CG 4.34Å; T486-Q538 PolarHBondContact OG1-O 3.4Å; T534-Q538 PolarHBondContact O-N 3.2Å; T534-Q538 PolarHBondContact O-NE2 3.35Å; I535-Q538 PolarHBondContact O-N 2.89Å; I536-Q538 VanDerWaalsContact C-N 3.32Å; I536-Q538 PolarHBondContact O-N 3.32Å; Q538-Q541 PolarHBondContact O-N 3.04Å; Q538-G542 PolarHBondContact O-N 3.11Å; Q538-G542 VanDerWaalsContact O-N 3.12Å; Q538-L730 PolarHBondContact NE2-O 3.02Å; Q538-R731 VanDerWaalsContact OE1-CD 3.31Å; Q538-V732 HydrophobicContact CB-CG2 3.49Å; Q538-V732 VanDerWaalsContact CB-CG2 3.49Å; Q538-V732 HydrophobicContact CG-CG2 4.4Å
539	V	98.9	Very high	98.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-63.4	-43.9	171.4	175.7	0	0	0	0	110.4	I535 I536 Q541 G542 L543 I557 I562 I734 T776 M779	I535-V539 HydrophobicContact CG2-CG2 4.47Å; I535-V539 WeakPolarHBondContact O-CG2 3.38Å; I535-V539 PolarHBondContact O-N 2.85Å; I536-V539 PolarHBondContact O-N 3.01Å; V539-Q541 PolarHBondContact O-N 2.89Å; V539-G542 PolarHBondContact O-N 3.01Å; V539-L543 HydrophobicContact CG1-CD1 4.22Å; V539-L543 HydrophobicContact CG1-CG 4.44Å; V539-L543 WeakPolarHBondContact O-CG 3.48Å; V539-L543 PolarHBondContact O-N 3.08Å; V539-I557 HydrophobicContact CG1-CG2 4.49Å; V539-I562 HydrophobicContact CG1-CD1 4.3Å; V539-I562 HydrophobicContact CG2-CD1 3.83Å; V539-I562 HydrophobicContact CG2-CG1 4.03Å; V539-I562 HydrophobicContact CG2-CG2 4.04Å; V539-I734 HydrophobicContact CG1-CD1 4.39Å; V539-T776 HydrophobicContact CG1-CG2 4.01Å; V539-M779 HydrophobicContact CB-CE 4.48Å; V539-M779 HydrophobicContact CG1-CE 3.97Å; V539-M779 HydrophobicContact CG2-CE 4.07Å
540	L	98.9	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.9	-36.1	177.5	-70.5	167.7	0	0	0	112.4	I536 G542 L543 D544 I773 T776 F868 M872 A883 C886 L887 L892	I536-L540 HydrophobicContact CG2-CD1 3.81Å; I536-L540 HydrophobicContact CG2-CG 4.26Å; I536-L540 WeakPolarHBondContact O-CB 3.33Å; I536-L540 VanDerWaalsContact O-CG 3.31Å; I536-L540 WeakPolarHBondContact O-CG 3.48Å; I536-L540 PolarHBondContact O-N 2.9Å; L540-G542 VanDerWaalsContact C-N 3.35Å; L540-G542 PolarHBondContact O-N 3.45Å; L540-L543 PolarHBondContact O-N 3.29Å; L540-D544 WeakPolarHBondContact O-CB 3.43Å; L540-D544 PolarHBondContact O-N 3.18Å; L540-I773 HydrophobicContact CD2-CD1 4.26Å; L540-T776 HydrophobicContact CD2-CG2 4.29Å; L540-F868 HydrophobicContact CD1-CE2 4.49Å; L540-F868 HydrophobicContact CD1-CZ 4.02Å; L540-M872 HydrophobicContact CD2-CE 4.16Å; L540-A883 HydrophobicContact CD2-CB 4.38Å; L540-A883 WeakPolarHBondContact O-CB 3.45Å; L540-C886 HydrophobicContact CD1-CB 3.57Å; L540-C886 HydrophobicContact CD2-CB 3.84Å; L540-C886 HydrophobicContact CG-CB 4.29Å; L540-L887 HydrophobicContact CB-CD2 3.69Å; L540-L887 HydrophobicContact CB-CG 3.93Å; L540-L892 HydrophobicContact CD1-CD1 3.89Å
541	Q	98.9	Very high	98.7	Very high	42 Å²	42	21 Å²	21	20%	0.196	10%	0.097	C	C	.	.	H	α-helix	trans	-57.7	-47.1	170	-73.4	171.2	-25.8	0	0	111.5	Y483 T486 R537 Q538 V539 D544 Y545 L887	Y483-Q541 WeakPolarHBondContact CB-O 3.37Å; Y483-Q541 HydrophobicContact CD1-CB 3.84Å; Y483-Q541 HydrophobicContact CD1-CG 3.75Å; Y483-Q541 HydrophobicContact CD2-CB 4.07Å; Y483-Q541 HydrophobicContact CD2-CG 4.27Å; Y483-Q541 HydrophobicContact CE1-CB 4.2Å; Y483-Q541 HydrophobicContact CE1-CG 3.59Å; Y483-Q541 HydrophobicContact CE2-CB 4.42Å; Y483-Q541 HydrophobicContact CE2-CG 4.13Å; Y483-Q541 HydrophobicContact CG-CB 3.77Å; Y483-Q541 HydrophobicContact CG-CG 4.1Å; T486-Q541 HydrophobicContact CG2-CB 4.15Å; R537-Q541 VanDerWaalsContact O-CG 3.3Å; R537-Q541 WeakPolarHBondContact O-CG 3.34Å; R537-Q541 PolarHBondContact O-N 3.44Å; Q538-Q541 PolarHBondContact O-N 3.04Å; V539-Q541 PolarHBondContact O-N 2.89Å; Q541-D544 PolarHBondContact O-N 2.94Å; Q541-Y545 PolarHBondContact O-N 2.86Å; Q541-Y545 VanDerWaalsContact O-N 3.08Å; Q541-L887 HydrophobicContact CG-CD1 4.03Å; Q541-L887 HydrophobicContact CG-CD2 3.88Å
542	G	98.9	Very high	98.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.7	-40.8	179.4	0	0	0	0	0	113.1	T486 Q538 V539 L540 Y545 L546	T486-G542 WeakPolarHBondContact OG1-CA 3.41Å; T486-G542 PolarHBondContact OG1-N 3Å; Q538-G542 PolarHBondContact O-N 3.11Å; Q538-G542 VanDerWaalsContact O-N 3.12Å; V539-G542 PolarHBondContact O-N 3.01Å; L540-G542 VanDerWaalsContact C-N 3.35Å; L540-G542 PolarHBondContact O-N 3.45Å; G542-Y545 PolarHBondContact O-N 2.86Å; G542-L546 VanDerWaalsContact O-CG 3.31Å; G542-L546 WeakPolarHBondContact O-CG 3.25Å; G542-L546 PolarHBondContact O-N 3.1Å
543	L	98.9	Very high	98.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64	-42.2	173.4	-70.9	-179.9	0	0	0	111.8	V539 L540 Y545 L546 H547 H554 I557 I734 D772 I773 T776 A883	V539-L543 HydrophobicContact CG1-CD1 4.22Å; V539-L543 HydrophobicContact CG1-CG 4.44Å; V539-L543 WeakPolarHBondContact O-CG 3.48Å; V539-L543 PolarHBondContact O-N 3.08Å; L540-L543 PolarHBondContact O-N 3.29Å; L543-Y545 VanDerWaalsContact C-N 3.32Å; L543-Y545 PolarHBondContact O-N 2.65Å; L543-L546 HydrophobicContact CD2-CD1 4.3Å; L543-L546 PolarHBondContact O-N 2.9Å; L543-H547 VanDerWaalsContact O-CB 3.26Å; L543-H547 WeakPolarHBondContact O-CB 3.42Å; L543-H547 PolarHBondContact O-CD2 2.99Å; L543-H547 PolarHBondContact O-N 3.25Å; L543-H554 HydrophobicContact CD2-CB 4.4Å; L543-I557 HydrophobicContact CD2-CD1 3.94Å; L543-I557 HydrophobicContact CD2-CG1 4.1Å; L543-I734 HydrophobicContact CD2-CD1 4.12Å; L543-I734 HydrophobicContact CG-CD1 4.06Å; L543-D772 HydrophobicContact CD1-CB 4.02Å; L543-D772 HydrophobicContact CD2-CB 3.74Å; L543-I773 HydrophobicContact CD1-CD1 4.32Å; L543-T776 VanDerWaalsContact CD1-OG1 3.23Å; L543-T776 WeakPolarHBondContact CD1-OG1 3.42Å; L543-A883 HydrophobicContact CB-CB 4.11Å
544	D	98.9	Very high	98.8	Very high	23 Å²	23	20.1 Å²	20.1	12%	0.123	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-42.3	177.6	-163.1	49.2	0	0	0	111.6	Y483 L540 Q541 T548 A883 A884 L887	Y483-D544 HydrophobicContact CD2-CB 4.25Å; Y483-D544 HydrophobicContact CE2-CB 4.44Å; L540-D544 WeakPolarHBondContact O-CB 3.43Å; L540-D544 PolarHBondContact O-N 3.18Å; Q541-D544 PolarHBondContact O-N 2.94Å; D544-T548 WeakPolarHBondContact O-CA 3.39Å; D544-T548 VanDerWaalsContact O-CB 3.23Å; D544-T548 WeakPolarHBondContact O-CB 3.38Å; D544-T548 VanDerWaalsContact O-CG2 3.27Å; D544-T548 WeakPolarHBondContact O-CG2 3.41Å; D544-T548 PolarHBondContact O-N 3.26Å; D544-T548 PolarHBondContact O-OG1 3.2Å; D544-T548 WeakPolarHBondContact OD1-CG2 3.32Å; D544-A883 HydrophobicContact CB-CB 3.69Å; D544-A884 WeakPolarHBondContact OD1-CB 3.44Å; D544-A884 PolarHBondContact OD1-N 3.16Å; D544-L887 HydrophobicContact CB-CD1 4.35Å
545	Y	98.9	Very high	98.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.2	-45.7	173.3	-178.2	-92	0	0	0	112.6	V474 D478 D481 R484 I487 Q541 G542 L543 H547 K549 C550	V474-Y545 HydrophobicContact CG1-CE1 4.19Å; V474-Y545 VanDerWaalsContact O-CE1 3.28Å; V474-Y545 WeakPolarHBondContact O-CE1 3.18Å; V474-Y545 PolarHBondContact O-OH 2.97Å; D478-Y545 HydrophobicContact CB-CE2 4.06Å; D478-Y545 PolarHBondContact N-OH 3.08Å; D478-Y545 VanDerWaalsContact N-OH 3.13Å; D478-Y545 PolarHBondContact O-OH 3Å; D481-Y545 HydrophobicContact CB-CD2 3.84Å; D481-Y545 HydrophobicContact CB-CE2 3.79Å; R484-Y545 HydrophobicContact CB-CD1 4.38Å; R484-Y545 HydrophobicContact CB-CD2 4.06Å; R484-Y545 HydrophobicContact CB-CE1 4.02Å; R484-Y545 HydrophobicContact CB-CE2 3.71Å; R484-Y545 HydrophobicContact CB-CG 4.39Å; R484-Y545 WeakPolarHBondContact CD-OH 3.3Å; R484-Y545 HydrophobicContact CG-CE1 3.86Å; R484-Y545 HydrophobicContact CG-CE2 4.2Å; I487-Y545 HydrophobicContact CD1-CD1 3.43Å; I487-Y545 VanDerWaalsContact CD1-CD1 3.43Å; I487-Y545 HydrophobicContact CD1-CE1 4.19Å; I487-Y545 HydrophobicContact CD1-CG 4.21Å; Q541-Y545 PolarHBondContact O-N 2.86Å; Q541-Y545 VanDerWaalsContact O-N 3.08Å; G542-Y545 PolarHBondContact O-N 2.86Å; L543-Y545 VanDerWaalsContact C-N 3.32Å; L543-Y545 PolarHBondContact O-N 2.65Å; Y545-H547 PolarHBondContact O-N 3.2Å; Y545-K549 HydrophobicContact CD2-CB 3.95Å; Y545-K549 HydrophobicContact CD2-CG 3.65Å; Y545-K549 HydrophobicContact CE2-CB 3.88Å; Y545-K549 HydrophobicContact CE2-CG 3.86Å; Y545-K549 HydrophobicContact CG-CB 4.4Å; Y545-K549 HydrophobicContact CG-CG 4.38Å; Y545-K549 WeakPolarHBondContact O-CA 3.46Å; Y545-K549 WeakPolarHBondContact O-CB 3.49Å; Y545-K549 PolarHBondContact O-N 3.2Å; Y545-C550 WeakPolarHBondContact CE1-SG 3.49Å; Y545-C550 PolarHBondContact O-N 3.12Å; Y545-C550 VanDerWaalsContact O-N 3.15Å
546	L	98.9	Very high	98.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.092	C	C	.	.	I	π-helix	trans	-59.8	-45.2	177.5	-72.9	169.4	0	0	0	112	V474 I487 G542 L543 C550 K551 I552 I734 L737	V474-L546 HydrophobicContact CG2-CD2 3.58Å; I487-L546 HydrophobicContact CD1-CD1 4.39Å; I487-L546 HydrophobicContact CD1-CD2 4.02Å; I487-L546 HydrophobicContact CD1-CG 3.77Å; G542-L546 VanDerWaalsContact O-CG 3.31Å; G542-L546 WeakPolarHBondContact O-CG 3.25Å; G542-L546 PolarHBondContact O-N 3.1Å; L543-L546 HydrophobicContact CD2-CD1 4.3Å; L543-L546 PolarHBondContact O-N 2.9Å; L546-C550 CarbonylContact O-C 3.6Å; L546-C550 WeakPolarHBondContact O-CB 3.45Å; L546-C550 PolarHBondContact O-N 3.13Å; L546-K551 PolarHBondContact O-N 3.15Å; L546-I552 CarbonylContact C-O 3.59Å; L546-I552 HydrophobicContact CD2-CB 4.07Å; L546-I552 HydrophobicContact CD2-CD1 4.34Å; L546-I552 HydrophobicContact CD2-CG2 4.02Å; L546-I552 PolarHBondContact O-N 3.3Å; L546-I734 HydrophobicContact CD1-CD1 4.31Å; L546-L737 HydrophobicContact CD2-CD2 4.28Å
547	H	98.8	Very high	98.8	Very high	18 Å²	18	19.9 Å²	19.9	8%	0.083	9%	0.092	C	C	.	.	I	π-helix	trans	-76.2	-44.6	-176	-62	178.5	0	0	0	112	L543 Y545 K551 I552 P769 D772	L543-H547 VanDerWaalsContact O-CB 3.26Å; L543-H547 WeakPolarHBondContact O-CB 3.42Å; L543-H547 PolarHBondContact O-CD2 2.99Å; L543-H547 PolarHBondContact O-N 3.25Å; Y545-H547 PolarHBondContact O-N 3.2Å; H547-K551 PolarHBondContact O-NZ 2.76Å; H547-I552 PolarHBondContact CD2-O 3.03Å; H547-P769 HydrophobicContact CB-CB 4.25Å; H547-P769 PolarHBondContact CE1-O 2.87Å; H547-D772 IonicContact CD2-OD2 2.75Å; H547-D772 IonicContact CE1-OD2 2.74Å; H547-D772 IonicContact NE2-OD2 2.75Å; H547-D772 PolarHBondContact NE2-OD2 3.09Å
548	T	98.6	Very high	98.8	Very high	57 Å²	57	16.3 Å²	16.3	35%	0.35	8%	0.079	S	C	.	.	I	π-helix	trans	-85.4	-46.1	-174.8	69	0	0	0	0	113.1	D544 K551	D544-T548 WeakPolarHBondContact O-CA 3.39Å; D544-T548 VanDerWaalsContact O-CB 3.23Å; D544-T548 WeakPolarHBondContact O-CB 3.38Å; D544-T548 VanDerWaalsContact O-CG2 3.27Å; D544-T548 WeakPolarHBondContact O-CG2 3.41Å; D544-T548 PolarHBondContact O-N 3.26Å; D544-T548 PolarHBondContact O-OG1 3.2Å; D544-T548 WeakPolarHBondContact OD1-CG2 3.32Å; T548-K551 WeakPolarHBondContact O-CE 3.38Å; T548-K551 PolarHBondContact O-NZ 3.14Å
549	K	98.5	Very high	98.7	Very high	81 Å²	81	15.9 Å²	15.9	35%	0.352	8%	0.077	S	C	.	.	I	π-helix	trans	-92.7	-45.2	-174.9	-53.4	-58.6	179.3	68.5	0	112.9	D478 D481 Y545	D478-K549 HydrophobicContact CB-CB 4.47Å; D478-K549 HydrophobicContact CB-CD 4.3Å; D478-K549 HydrophobicContact CB-CG 4.3Å; D478-K549 IonicContact OD2-NZ 2.84Å; D478-K549 PolarHBondContact OD2-NZ 3.42Å; D481-K549 IonicContact OD2-NZ 2.89Å; D481-K549 PolarHBondContact OD2-NZ 2.84Å; Y545-K549 HydrophobicContact CD2-CB 3.95Å; Y545-K549 HydrophobicContact CD2-CG 3.65Å; Y545-K549 HydrophobicContact CE2-CB 3.88Å; Y545-K549 HydrophobicContact CE2-CG 3.86Å; Y545-K549 HydrophobicContact CG-CB 4.4Å; Y545-K549 HydrophobicContact CG-CG 4.38Å; Y545-K549 WeakPolarHBondContact O-CA 3.46Å; Y545-K549 WeakPolarHBondContact O-CB 3.49Å; Y545-K549 PolarHBondContact O-N 3.2Å
550	C	98.7	Very high	98.5	Very high	4 Å²	4	17.7 Å²	17.7	3%	0.027	9%	0.085	C	C	.	.	I	π-helix	trans	-90.5	-21.7	-174.3	-59.6	0	0	0	0	115.2	S477 Y545 L546 I552 W742	S477-C550 PolarHBondContact OG-SG 3.45Å; S477-C550 VanDerWaalsContact OG-SG 3.38Å; Y545-C550 WeakPolarHBondContact CE1-SG 3.49Å; Y545-C550 PolarHBondContact O-N 3.12Å; Y545-C550 VanDerWaalsContact O-N 3.15Å; L546-C550 CarbonylContact O-C 3.6Å; L546-C550 WeakPolarHBondContact O-CB 3.45Å; L546-C550 PolarHBondContact O-N 3.13Å; C550-I552 HydrophobicContact CB-CB 4.22Å; C550-I552 HydrophobicContact CB-CD1 3.72Å; C550-I552 HydrophobicContact CB-CG1 3.81Å; C550-I552 PolarHBondContact O-N 3.23Å; C550-W742 WeakPolarHBondContact O-CZ3 3.34Å
551	K	98.7	Very high	98.5	Very high	99 Å²	99	17.8 Å²	17.8	43%	0.43	9%	0.086	S	C	.	.			trans	56	40.6	-169.5	-51.8	-65	155.6	-154.6	0	112.4	L546 H547 T548 W742 V743	L546-K551 PolarHBondContact O-N 3.15Å; H547-K551 PolarHBondContact O-NZ 2.76Å; T548-K551 WeakPolarHBondContact O-CE 3.38Å; T548-K551 PolarHBondContact O-NZ 3.14Å; K551-W742 WeakPolarHBondContact O-CA 3.46Å; K551-V743 HydrophobicContact CB-CB 4.43Å; K551-V743 HydrophobicContact CB-CG2 4.43Å; K551-V743 WeakPolarHBondContact O-CG2 3.32Å; K551-V743 PolarHBondContact O-N 3.29Å
552	I	98.9	Very high	98.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.1	175	-66.6	174.3	0	0	0	108.8	L470 C473 V474 L546 H547 C550 A740 C741 W742	L470-I552 HydrophobicContact CB-CD1 4.2Å; L470-I552 HydrophobicContact CD2-CD1 3.67Å; L470-I552 HydrophobicContact CD2-CG1 3.74Å; L470-I552 HydrophobicContact CD2-CG2 4.18Å; C473-I552 HydrophobicContact CB-CD1 4.38Å; V474-I552 HydrophobicContact CG2-CD1 4.03Å; L546-I552 CarbonylContact C-O 3.59Å; L546-I552 HydrophobicContact CD2-CB 4.07Å; L546-I552 HydrophobicContact CD2-CD1 4.34Å; L546-I552 HydrophobicContact CD2-CG2 4.02Å; L546-I552 PolarHBondContact O-N 3.3Å; H547-I552 PolarHBondContact CD2-O 3.03Å; C550-I552 HydrophobicContact CB-CB 4.22Å; C550-I552 HydrophobicContact CB-CD1 3.72Å; C550-I552 HydrophobicContact CB-CG1 3.81Å; C550-I552 PolarHBondContact O-N 3.23Å; I552-A740 HydrophobicContact CG2-CB 4.03Å; I552-C741 CarbonylContact C-O 3.56Å; I552-C741 WeakPolarHBondContact CA-O 3.46Å; I552-W742 HydrophobicContact CD1-CZ3 4.43Å; I552-W742 HydrophobicContact CG1-CD2 4.47Å; I552-W742 HydrophobicContact CG1-CE3 3.95Å; I552-W742 HydrophobicContact CG1-CZ3 4.08Å
553	I	98.9	Very high	98.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.5	166.2	-48.2	167.9	0	0	0	106	T555 A740 C741 V743 Y767 P769 D772	I553-T555 HydrophobicContact CB-CG2 4.09Å; I553-T555 HydrophobicContact CG2-CG2 3.91Å; I553-A740 CarbonylContact O-C 3.5Å; I553-A740 VanDerWaalsContact O-CA 3.27Å; I553-A740 WeakPolarHBondContact O-CA 3.25Å; I553-A740 VanDerWaalsContact O-CB 3.3Å; I553-A740 WeakPolarHBondContact O-CB 3.42Å; I553-C741 PolarHBondContact N-O 2.91Å; I553-C741 PolarHBondContact O-N 3.47Å; I553-V743 HydrophobicContact CD1-CG2 4.11Å; I553-V743 HydrophobicContact CG1-CG2 3.64Å; I553-Y767 HydrophobicContact CD1-CD2 4.05Å; I553-Y767 HydrophobicContact CD1-CE2 3.84Å; I553-P769 HydrophobicContact CG1-CG 4.33Å; I553-D772 WeakPolarHBondContact CG2-OD2 3.34Å
554	H	98.8	Very high	98.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.			trans	-74.3	-35.1	-177	-167.1	-93.2	0	0	0	112.4	L543 D556 I557 I734 A735 A740 D772	L543-H554 HydrophobicContact CD2-CB 4.4Å; H554-D556 PolarHBondContact ND1-O 2.66Å; H554-D556 PolarHBondContact O-N 3.13Å; H554-I557 HydrophobicContact CB-CD1 3.92Å; H554-I557 HydrophobicContact CB-CG1 3.98Å; H554-I557 WeakPolarHBondContact ND1-CD1 3.18Å; H554-I734 WeakPolarHBondContact NE2-CG2 3.4Å; H554-A735 PolarHBondContact NE2-O 3.41Å; H554-A740 WeakPolarHBondContact O-CA 3.38Å; H554-D772 WeakPolarHBondContact CB-OD1 3.48Å; H554-D772 PolarHBondContact N-OD1 3.09Å; H554-D772 PolarHBondContact N-OD2 2.88Å
555	T	98.7	Very high	98.1	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.018	9%	0.088	C	C	.	.	S	Bend	trans	62.6	-8.3	177.2	97.7	0	0	0	0	117	I553 N739 I751 Q752 Y767 D772	I553-T555 HydrophobicContact CB-CG2 4.09Å; I553-T555 HydrophobicContact CG2-CG2 3.91Å; T555-N739 PolarHBondContact OG1-O 3.4Å; T555-I751 HydrophobicContact CG2-CD1 4.39Å; T555-I751 HydrophobicContact CG2-CG2 4.29Å; T555-Q752 WeakPolarHBondContact O-CA 3.45Å; T555-Q752 WeakPolarHBondContact O-CG 3.46Å; T555-Q752 PolarHBondContact O-N 3.41Å; T555-Y767 HydrophobicContact CG2-CE2 4.41Å; T555-D772 PolarHBondContact N-OD1 3.08Å
556	D	98.3	Very high	97.8	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.016	9%	0.094	C	C	.	.			trans	-144.6	54.6	178.7	-163.8	35.1	0	0	0	112.3	H554 K558 N561 N739 T753	H554-D556 PolarHBondContact ND1-O 2.66Å; H554-D556 PolarHBondContact O-N 3.13Å; D556-K558 VanDerWaalsContact CG-NZ 3.34Å; D556-K558 IonicContact OD1-NZ 2.84Å; D556-K558 PolarHBondContact OD1-NZ 2.63Å; D556-K558 IonicContact OD2-NZ 3.91Å; D556-K558 PolarHBondContact OD2-NZ 3.46Å; D556-N561 PolarHBondContact O-ND2 3.28Å; D556-N561 PolarHBondContact OD2-ND2 3.34Å; D556-N739 HydrophobicContact CB-CB 4.06Å; D556-N739 PolarHBondContact OD2-ND2 3.42Å; D556-T753 WeakPolarHBondContact OD1-CB 3.48Å; D556-T753 PolarHBondContact OD1-N 2.97Å; D556-T753 VanDerWaalsContact OD1-N 3.08Å; D556-T753 PolarHBondContact OD1-OG1 3.2Å
557	I	98.8	Very high	97.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.			trans	-75.8	127.4	173.1	-65.4	-69.3	0	0	0	110.1	V539 L543 H554 I562 I734 D772 M779	V539-I557 HydrophobicContact CG1-CG2 4.49Å; L543-I557 HydrophobicContact CD2-CD1 3.94Å; L543-I557 HydrophobicContact CD2-CG1 4.1Å; H554-I557 HydrophobicContact CB-CD1 3.92Å; H554-I557 HydrophobicContact CB-CG1 3.98Å; H554-I557 WeakPolarHBondContact ND1-CD1 3.18Å; I557-I562 HydrophobicContact CD1-CD1 4.5Å; I557-I734 HydrophobicContact CD1-CD1 4.31Å; I557-I734 HydrophobicContact CD1-CG2 3.94Å; I557-D772 HydrophobicContact CG1-CB 4.27Å; I557-M779 HydrophobicContact CG2-CE 3.65Å; I557-M779 HydrophobicContact CG2-SD 4.15Å
558	K	98.4	Very high	96.7	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.013	13%	0.133	C	C	.	.	S	Bend	trans	-173.4	165	-177.4	61.1	-171.7	-167.1	-146.7	0	111.4	D556 E560 N561 I562 T753 Y756	D556-K558 VanDerWaalsContact CG-NZ 3.34Å; D556-K558 IonicContact OD1-NZ 2.84Å; D556-K558 PolarHBondContact OD1-NZ 2.63Å; D556-K558 IonicContact OD2-NZ 3.91Å; D556-K558 PolarHBondContact OD2-NZ 3.46Å; K558-E560 WeakPolarHBondContact CB-OE2 3.3Å; K558-E560 WeakPolarHBondContact CD-OE2 3.1Å; K558-E560 VanDerWaalsContact CE-OE1 3.27Å; K558-E560 WeakPolarHBondContact CE-OE1 3.26Å; K558-E560 HydrophobicContact CG-CB 4.44Å; K558-E560 WeakPolarHBondContact CG-OE2 3.15Å; K558-E560 PolarHBondContact O-N 3.31Å; K558-E560 VanDerWaalsContact O-N 3.1Å; K558-N561 HydrophobicContact CG-CB 4.27Å; K558-N561 PolarHBondContact O-N 3.16Å; K558-I562 PolarHBondContact O-N 3.39Å; K558-T753 HydrophobicContact CD-CG2 4.12Å; K558-T753 WeakPolarHBondContact CD-OG1 3.26Å; K558-T753 PolarHBondContact NZ-OG1 2.94Å; K558-Y756 HydrophobicContact CB-CD1 4.16Å; K558-Y756 HydrophobicContact CB-CD2 3.92Å; K558-Y756 HydrophobicContact CB-CE1 3.87Å; K558-Y756 HydrophobicContact CB-CE2 3.6Å; K558-Y756 HydrophobicContact CB-CG 4.18Å; K558-Y756 HydrophobicContact CD-CE2 4.25Å
559	P	98.3	Very high	96.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.3	-177.6	-26.2	36	0	0	0	116.3	L515 L516 I519 Y756 M779	L515-P559 HydrophobicContact CB-CB 4.02Å; L515-P559 PolarHBondContact N-O 2.96Å; L516-P559 HydrophobicContact CB-CB 4.06Å; L516-P559 PolarHBondContact N-O 3.11Å; L516-P559 VanDerWaalsContact N-O 3.13Å; I519-P559 HydrophobicContact CD1-CB 3.78Å; I519-P559 HydrophobicContact CD1-CG 3.7Å; P559-Y756 WeakPolarHBondContact CD-OH 3.4Å; P559-M779 HydrophobicContact CG-CG 3.94Å; P559-M779 HydrophobicContact CG-SD 4.39Å
560	E	94.9	Very high	95.7	Very high	39 Å²	39	23.2 Å²	23.2	18%	0.182	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-27.8	174.3	-53.8	99.3	107.8	0	0	113.4	Q514 L516 K558	Q514-E560 VanDerWaalsContact CB-O 3.31Å; Q514-E560 WeakPolarHBondContact CB-O 3.38Å; L516-E560 HydrophobicContact CB-CG 4.09Å; L516-E560 HydrophobicContact CD2-CG 3.57Å; L516-E560 HydrophobicContact CG-CG 4.45Å; K558-E560 WeakPolarHBondContact CB-OE2 3.3Å; K558-E560 WeakPolarHBondContact CD-OE2 3.1Å; K558-E560 VanDerWaalsContact CE-OE1 3.27Å; K558-E560 WeakPolarHBondContact CE-OE1 3.26Å; K558-E560 HydrophobicContact CG-CB 4.44Å; K558-E560 WeakPolarHBondContact CG-OE2 3.15Å; K558-E560 PolarHBondContact O-N 3.31Å; K558-E560 VanDerWaalsContact O-N 3.1Å
561	N	97.5	Very high	95.2	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.011	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-2.1	-174	-71	-12.3	0	0	0	112.7	D556 K558 A735	D556-N561 PolarHBondContact O-ND2 3.28Å; D556-N561 PolarHBondContact OD2-ND2 3.34Å; K558-N561 HydrophobicContact CG-CB 4.27Å; K558-N561 PolarHBondContact O-N 3.16Å; N561-A735 WeakPolarHBondContact CB-O 3.23Å; N561-A735 PolarHBondContact O-N 3.35Å
562	I	98.4	Very high	94.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.6	169.5	-51.4	-52.1	0	0	0	109.1	Q514 L515 V539 I557 K558 V732 I734 M779	Q514-I562 VanDerWaalsContact CA-O 3.29Å; Q514-I562 WeakPolarHBondContact CA-O 3.35Å; L515-I562 HydrophobicContact CD1-CB 3.77Å; L515-I562 HydrophobicContact CD1-CG2 3.6Å; L515-I562 HydrophobicContact CG-CB 4.09Å; L515-I562 HydrophobicContact CG-CG2 4.05Å; L515-I562 PolarHBondContact N-O 3.08Å; L515-I562 VanDerWaalsContact N-O 3.1Å; V539-I562 HydrophobicContact CG1-CD1 4.3Å; V539-I562 HydrophobicContact CG2-CD1 3.83Å; V539-I562 HydrophobicContact CG2-CG1 4.03Å; V539-I562 HydrophobicContact CG2-CG2 4.04Å; I557-I562 HydrophobicContact CD1-CD1 4.5Å; K558-I562 PolarHBondContact O-N 3.39Å; I562-V732 HydrophobicContact CG2-CB 3.82Å; I562-V732 HydrophobicContact CG2-CG1 4.04Å; I562-V732 HydrophobicContact CG2-CG2 4.25Å; I562-I734 HydrophobicContact CD1-CB 4.36Å; I562-I734 HydrophobicContact CD1-CG1 3.94Å; I562-I734 HydrophobicContact CD1-CG2 4.45Å; I562-M779 HydrophobicContact CD1-CE 4.44Å; I562-M779 HydrophobicContact CG1-CE 3.91Å; I562-M779 HydrophobicContact CG1-SD 3.72Å
563	L	97.3	Very high	94	Very high	9 Å²	9	22.5 Å²	22.5	5%	0.047	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.6	-177.3	-54.3	-176.1	0	0	0	111.1	A5 L511 Q514 V732 K733 A735	A5-L563 HydrophobicContact CB-CD1 4.43Å; L511-L563 HydrophobicContact CB-CB 3.99Å; L511-L563 HydrophobicContact CB-CD1 3.89Å; L511-L563 HydrophobicContact CD1-CB 4.12Å; L511-L563 HydrophobicContact CD1-CD1 3.86Å; Q514-L563 HydrophobicContact CB-CD2 3.5Å; Q514-L563 VanDerWaalsContact CB-CD2 3.5Å; L563-V732 CarbonylContact O-C 3.59Å; L563-V732 VanDerWaalsContact O-CA 3.25Å; L563-V732 WeakPolarHBondContact O-CA 3.45Å; L563-K733 PolarHBondContact N-O 3.29Å; L563-K733 PolarHBondContact O-N 3.11Å; L563-A735 HydrophobicContact CD1-CB 3.71Å; L563-A735 HydrophobicContact CG-CB 3.9Å
564	L	96.5	Very high	93.4	Very high	4 Å²	4	23 Å²	23	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	142.4	166.8	-72.8	168.4	0	0	0	110.7	G512 H513 L515 W518 P721 L730 R731 V732	G512-L564 WeakPolarHBondContact CA-O 3.25Å; G512-L564 PolarHBondContact N-O 3.12Å; H513-L564 PolarHBondContact O-N 3.05Å; H513-L564 VanDerWaalsContact O-N 3.09Å; L515-L564 HydrophobicContact CD2-CD2 4.49Å; L515-L564 HydrophobicContact CD2-CG 4.35Å; W518-L564 HydrophobicContact CZ2-CD1 4.34Å; L564-P721 HydrophobicContact CD1-CG 4.34Å; L564-L730 HydrophobicContact CD2-CD2 4.27Å; L564-R731 WeakPolarHBondContact CA-O 3.34Å; L564-V732 HydrophobicContact CD2-CG1 3.79Å; L564-V732 HydrophobicContact CG-CG1 4.5Å
565	V	95.7	Very high	92.8	Very high	48 Å²	48	23 Å²	23	29%	0.291	12%	0.119	S	C	.	.			trans	-74.8	146.6	163	-175.5	0	0	0	0	108.6	L511 R731 K733	L511-V565 HydrophobicContact CD2-CB 4.35Å; L511-V565 HydrophobicContact CD2-CG2 3.91Å; V565-R731 HydrophobicContact CB-CB 3.85Å; V565-R731 HydrophobicContact CG2-CB 3.8Å; V565-R731 PolarHBondContact N-O 3.13Å; V565-K733 HydrophobicContact CG2-CG 3.97Å
566	V	92.3	Very high	92.1	Very high	22 Å²	22	24.9 Å²	24.9	13%	0.133	14%	0.135	C	C	.	.			trans	-127.4	151.3	175.3	-73.2	0	0	0	0	109.3	Y570 V571	V566-Y570 HydrophobicContact CB-CD1 3.56Å; V566-Y570 HydrophobicContact CB-CE1 4.18Å; V566-Y570 HydrophobicContact CB-CG 4.25Å; V566-Y570 HydrophobicContact CG1-CD1 3.77Å; V566-Y570 HydrophobicContact CG1-CE1 3.98Å; V566-Y570 HydrophobicContact CG1-CG 4.41Å; V566-Y570 HydrophobicContact CG2-CD1 3.7Å; V566-Y570 HydrophobicContact CG2-CE1 4.08Å; V566-V571 HydrophobicContact CG2-CG2 3.77Å
567	D	88.3	Confident	91.3	Very high	78 Å²	78	26.1 Å²	26.1	42%	0.417	14%	0.141	S	C	.	.			trans	-79.1	163.1	178.3	63.3	42.1	0	0	0	112.9	V569 Y570 V571	D567-V569 PolarHBondContact O-N 3.47Å; D567-V569 WeakPolarHBondContact OD1-CA 3.31Å; D567-V569 WeakPolarHBondContact OD1-CB 3.43Å; D567-V569 PolarHBondContact OD1-N 2.85Å; D567-Y570 PolarHBondContact O-N 2.78Å; D567-Y570 PolarHBondContact OD1-N 2.86Å; D567-V571 WeakPolarHBondContact O-CG2 3.17Å; D567-V571 PolarHBondContact O-N 2.91Å; D567-V571 VanDerWaalsContact O-N 3.13Å
568	D	87.1	Confident	90.5	Very high	89 Å²	89	26.3 Å²	26.3	48%	0.476	14%	0.142	S	C	.	.	H	α-helix	trans	-67.7	-12	177.4	-81.3	-60.4	0	0	0	113.2	R572	D568-R572 WeakPolarHBondContact O-CB 3.44Å; D568-R572 VanDerWaalsContact O-CG 3.24Å; D568-R572 WeakPolarHBondContact O-CG 3.18Å; D568-R572 PolarHBondContact O-N 3.39Å; D568-R572 PolarHBondContact O-NE 3.49Å
569	V	87.4	Confident	89.6	Confident	69 Å²	69	26.3 Å²	26.3	42%	0.418	14%	0.142	S	C	.	.	H	α-helix	trans	-76	-48.2	174.9	-178.5	0	0	0	0	109.8	D567 V571 R572 R573 F717	D567-V569 PolarHBondContact O-N 3.47Å; D567-V569 WeakPolarHBondContact OD1-CA 3.31Å; D567-V569 WeakPolarHBondContact OD1-CB 3.43Å; D567-V569 PolarHBondContact OD1-N 2.85Å; V569-V571 PolarHBondContact O-N 3.49Å; V569-R572 PolarHBondContact O-N 3.25Å; V569-R573 VanDerWaalsContact O-CB 3.31Å; V569-R573 WeakPolarHBondContact O-CB 3.49Å; V569-R573 PolarHBondContact O-N 3.43Å; V569-F717 HydrophobicContact CG1-CD2 4.45Å; V569-F717 HydrophobicContact CG1-CE2 4.47Å
570	Y	87.9	Confident	88.6	Confident	15 Å²	15	31.4 Å²	31.4	6%	0.059	17%	0.168	C	C	.	.	H	α-helix	trans	-55.6	-49.5	169.6	171.1	-100.6	0	0	0	110.9	V566 D567 R573 L574 S714 V718	V566-Y570 HydrophobicContact CB-CD1 3.56Å; V566-Y570 HydrophobicContact CB-CE1 4.18Å; V566-Y570 HydrophobicContact CB-CG 4.25Å; V566-Y570 HydrophobicContact CG1-CD1 3.77Å; V566-Y570 HydrophobicContact CG1-CE1 3.98Å; V566-Y570 HydrophobicContact CG1-CG 4.41Å; V566-Y570 HydrophobicContact CG2-CD1 3.7Å; V566-Y570 HydrophobicContact CG2-CE1 4.08Å; D567-Y570 PolarHBondContact O-N 2.78Å; D567-Y570 PolarHBondContact OD1-N 2.86Å; Y570-R573 PolarHBondContact O-N 3.33Å; Y570-L574 HydrophobicContact CE1-CD2 3.95Å; Y570-L574 VanDerWaalsContact O-CB 3.23Å; Y570-L574 WeakPolarHBondContact O-CB 3.25Å; Y570-L574 PolarHBondContact O-N 3.37Å; Y570-S714 WeakPolarHBondContact CD2-O 3.39Å; Y570-S714 WeakPolarHBondContact CE2-O 3.15Å; Y570-V718 HydrophobicContact CD2-CG2 3.53Å; Y570-V718 HydrophobicContact CE2-CG2 3.24Å; Y570-V718 HydrophobicContact CG-CG2 4.32Å
571	V	89.1	Confident	87.6	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-41.6	-178.1	-177	0	0	0	0	111.6	L439 F448 V510 V566 D567 V569 A575	L439-V571 HydrophobicContact CD1-CG1 4.12Å; F448-V571 HydrophobicContact CB-CG1 3.54Å; F448-V571 HydrophobicContact CD1-CG1 4.44Å; F448-V571 HydrophobicContact CD2-CG1 3.7Å; F448-V571 HydrophobicContact CG-CG1 3.63Å; V510-V571 HydrophobicContact CB-CG1 4.44Å; V510-V571 HydrophobicContact CB-CG2 4.27Å; V510-V571 HydrophobicContact CG1-CG1 4.09Å; V510-V571 HydrophobicContact CG1-CG2 3.73Å; V510-V571 HydrophobicContact CG2-CG1 4.35Å; V566-V571 HydrophobicContact CG2-CG2 3.77Å; D567-V571 WeakPolarHBondContact O-CG2 3.17Å; D567-V571 PolarHBondContact O-N 2.91Å; D567-V571 VanDerWaalsContact O-N 3.13Å; V569-V571 PolarHBondContact O-N 3.49Å; V571-A575 WeakPolarHBondContact O-CB 3.42Å; V571-A575 PolarHBondContact O-N 3.35Å
572	R	87.3	Confident	86.4	Confident	31 Å²	31	35.7 Å²	35.7	12%	0.117	19%	0.186	C	C	.	.	H	α-helix	trans	-58.1	-47.1	171.4	-86.2	175	-83.6	-167.3	-11.8	111.7	F448 D568 V569 A575 A576 I632 D636 E639	F448-R572 HydrophobicContact CE2-CG 4.01Å; D568-R572 WeakPolarHBondContact O-CB 3.44Å; D568-R572 VanDerWaalsContact O-CG 3.24Å; D568-R572 WeakPolarHBondContact O-CG 3.18Å; D568-R572 PolarHBondContact O-N 3.39Å; D568-R572 PolarHBondContact O-NE 3.49Å; V569-R572 PolarHBondContact O-N 3.25Å; R572-A575 CarbonylContact O-C 3.52Å; R572-A575 PolarHBondContact O-N 2.93Å; R572-A576 WeakPolarHBondContact O-CB 3.5Å; R572-A576 PolarHBondContact O-N 3.04Å; R572-I632 HydrophobicContact CG-CG2 4.26Å; R572-D636 WeakPolarHBondContact CD-OD1 3.45Å; R572-D636 IonicContact CZ-OD1 2.74Å; R572-D636 IonicContact NE-OD1 3.7Å; R572-D636 IonicContact NH1-OD1 2.82Å; R572-D636 PolarHBondContact NH1-OD1 3.46Å; R572-E639 IonicContact CZ-OE1 2.64Å; R572-E639 IonicContact CZ-OE2 2.71Å; R572-E639 IonicContact NH1-OE1 3.65Å; R572-E639 IonicContact NH1-OE2 2.69Å; R572-E639 PolarHBondContact NH1-OE2 2.71Å; R572-E639 VanDerWaalsContact NH2-CD 3.27Å; R572-E639 IonicContact NH2-OE1 3.52Å; R572-E639 PolarHBondContact NH2-OE1 2.7Å; R572-E639 IonicContact NH2-OE2 3.96Å; R572-E639 PolarHBondContact NH2-OE2 3.19Å
573	R	85.1	Confident	85.2	Confident	55 Å²	55	44.1 Å²	44.1	21%	0.208	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-50.2	-179.4	-175.4	173.7	-172.6	148.1	51.3	112.2	V569 Y570 A575 A576 E577 F712 S713	V569-R573 VanDerWaalsContact O-CB 3.31Å; V569-R573 WeakPolarHBondContact O-CB 3.49Å; V569-R573 PolarHBondContact O-N 3.43Å; Y570-R573 PolarHBondContact O-N 3.33Å; R573-A575 PolarHBondContact O-N 2.96Å; R573-A576 WeakPolarHBondContact O-CA 3.44Å; R573-A576 WeakPolarHBondContact O-CB 3.43Å; R573-A576 PolarHBondContact O-N 2.92Å; R573-E577 HydrophobicContact CG-CG 4.47Å; R573-E577 WeakPolarHBondContact CG-OE1 3.46Å; R573-E577 IonicContact NE-OE1 2.94Å; R573-E577 PolarHBondContact NE-OE1 3.18Å; R573-E577 WeakPolarHBondContact O-CG 3.23Å; R573-E577 PolarHBondContact O-N 2.85Å; R573-F712 VanDerWaalsContact CZ-C 3.41Å; R573-F712 VanDerWaalsContact NH2-C 3.27Å; R573-F712 PolarHBondContact NH2-O 2.98Å; R573-S713 PolarHBondContact NE-O 2.87Å; R573-S713 PolarHBondContact NH1-O 3.26Å
574	L	85.3	Confident	84	Confident	9 Å²	9	47.2 Å²	47.2	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-54.7	-34.7	174.7	-171	72.2	0	0	0	112	L429 L439 Y570 A578	L429-L574 HydrophobicContact CD2-CD2 4.23Å; L439-L574 HydrophobicContact CD2-CD2 4.49Å; Y570-L574 HydrophobicContact CE1-CD2 3.95Å; Y570-L574 VanDerWaalsContact O-CB 3.23Å; Y570-L574 WeakPolarHBondContact O-CB 3.25Å; Y570-L574 PolarHBondContact O-N 3.37Å; L574-A578 PolarHBondContact O-N 3.02Å
575	A	86.3	Confident	82.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-83.1	-22.5	177.6	0	0	0	0	0	113.8	V426 L439 F448 V571 R572 R573 T579 R628	V426-A575 HydrophobicContact CG1-CB 4.13Å; L439-A575 HydrophobicContact CD2-CB 3.93Å; F448-A575 HydrophobicContact CD1-CB 4.21Å; F448-A575 HydrophobicContact CE1-CB 3.39Å; F448-A575 HydrophobicContact CE2-CB 4.22Å; F448-A575 HydrophobicContact CZ-CB 3.39Å; V571-A575 WeakPolarHBondContact O-CB 3.42Å; V571-A575 PolarHBondContact O-N 3.35Å; R572-A575 CarbonylContact O-C 3.52Å; R572-A575 PolarHBondContact O-N 2.93Å; R573-A575 PolarHBondContact O-N 2.96Å; A575-T579 PolarHBondContact O-N 3.07Å; A575-T579 PolarHBondContact O-OG1 2.97Å; A575-R628 PolarHBondContact O-NH2 3.13Å
576	A	83.8	Confident	80.7	Confident	43 Å²	43	50.3 Å²	50.3	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-79.1	-45.1	173	0	0	0	0	0	111.3	R572 R573 A578 T579 I580	R572-A576 WeakPolarHBondContact O-CB 3.5Å; R572-A576 PolarHBondContact O-N 3.04Å; R573-A576 WeakPolarHBondContact O-CA 3.44Å; R573-A576 WeakPolarHBondContact O-CB 3.43Å; R573-A576 PolarHBondContact O-N 2.92Å; A576-A578 PolarHBondContact O-N 2.82Å; A576-T579 CarbonylContact O-C 3.6Å; A576-T579 WeakPolarHBondContact O-CA 3.4Å; A576-T579 VanDerWaalsContact O-CB 3.25Å; A576-T579 WeakPolarHBondContact O-CB 3.5Å; A576-T579 PolarHBondContact O-N 3.45Å; A576-I580 WeakPolarHBondContact O-CG1 3.39Å; A576-I580 PolarHBondContact O-N 2.84Å
577	E	82.1	Confident	79.1	Confident	30 Å²	30	54.5 Å²	54.5	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-54.4	-50.1	173	-72.8	170.2	-173.3	0	0	111.3	R573 T579 I580 W581 S714	R573-E577 HydrophobicContact CG-CG 4.47Å; R573-E577 WeakPolarHBondContact CG-OE1 3.46Å; R573-E577 IonicContact NE-OE1 2.94Å; R573-E577 PolarHBondContact NE-OE1 3.18Å; R573-E577 WeakPolarHBondContact O-CG 3.23Å; R573-E577 PolarHBondContact O-N 2.85Å; E577-T579 PolarHBondContact O-N 2.7Å; E577-T579 VanDerWaalsContact O-N 3.16Å; E577-I580 WeakPolarHBondContact O-CB 3.45Å; E577-I580 PolarHBondContact O-N 2.96Å; E577-W581 HydrophobicContact CB-CH2 3.58Å; E577-W581 HydrophobicContact CB-CZ2 3.68Å; E577-W581 HydrophobicContact CB-CZ3 4.17Å; E577-W581 HydrophobicContact CG-CZ2 4.43Å; E577-W581 VanDerWaalsContact O-CD2 3.23Å; E577-W581 PolarHBondContact O-N 3.46Å; E577-W581 VanDerWaalsContact O-N 3.11Å; E577-S714 WeakPolarHBondContact OE1-CB 3.4Å; E577-S714 PolarHBondContact OE1-N 3.27Å; E577-S714 PolarHBondContact OE1-OG 2.67Å; E577-S714 VanDerWaalsContact OE2-CB 3.23Å; E577-S714 WeakPolarHBondContact OE2-CB 3.26Å; E577-S714 PolarHBondContact OE2-OG 3.35Å
578	A	81.1	Confident	77.8	Confident	3 Å²	3	52.2 Å²	52.2	3%	0.025	30%	0.3	C	S	.	.	H	α-helix	trans	-55	-33.6	172.1	0	0	0	0	0	113.6	V426 R427 L574 A576 W581 Q582	V426-A578 HydrophobicContact CG1-CB 4.04Å; R427-A578 HydrophobicContact CB-CB 4Å; R427-A578 HydrophobicContact CG-CB 4.38Å; L574-A578 PolarHBondContact O-N 3.02Å; A576-A578 PolarHBondContact O-N 2.82Å; A578-W581 HydrophobicContact CB-CE3 4.48Å; A578-W581 HydrophobicContact CB-CZ3 4.49Å; A578-Q582 WeakPolarHBondContact O-CG 3.49Å; A578-Q582 PolarHBondContact O-N 3.29Å; A578-Q582 PolarHBondContact O-NE2 3.17Å; A578-Q582 VanDerWaalsContact O-NE2 3.13Å
579	T	79.3	Confident	76.3	Confident	4 Å²	4	53 Å²	53	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-77	-32.1	178.5	-58.6	0	0	0	0	112.2	A575 A576 E577 R583 L625 R628 L629	A575-T579 PolarHBondContact O-N 3.07Å; A575-T579 PolarHBondContact O-OG1 2.97Å; A576-T579 CarbonylContact O-C 3.6Å; A576-T579 WeakPolarHBondContact O-CA 3.4Å; A576-T579 VanDerWaalsContact O-CB 3.25Å; A576-T579 WeakPolarHBondContact O-CB 3.5Å; A576-T579 PolarHBondContact O-N 3.45Å; E577-T579 PolarHBondContact O-N 2.7Å; E577-T579 VanDerWaalsContact O-N 3.16Å; T579-R583 WeakPolarHBondContact O-CG 3.3Å; T579-R583 PolarHBondContact O-N 3.42Å; T579-R583 VanDerWaalsContact O-N 3.15Å; T579-L625 HydrophobicContact CG2-CD1 3.79Å; T579-L625 HydrophobicContact CG2-CD2 4.15Å; T579-L625 HydrophobicContact CG2-CG 4.24Å; T579-R628 PolarHBondContact OG1-NH1 3.34Å; T579-L629 HydrophobicContact CG2-CD1 4.2Å; T579-L629 HydrophobicContact CG2-CD2 4.44Å
580	I	77.9	Confident	74.9	Confident	106 Å²	106	50.3 Å²	50.3	54%	0.544	29%	0.294	S	S	.	.	H	α-helix	trans	-66.9	-48.9	175	-67.9	165.3	0	0	0	110	A576 E577 Q582 R583 A584	A576-I580 WeakPolarHBondContact O-CG1 3.39Å; A576-I580 PolarHBondContact O-N 2.84Å; E577-I580 WeakPolarHBondContact O-CB 3.45Å; E577-I580 PolarHBondContact O-N 2.96Å; I580-Q582 VanDerWaalsContact C-N 3.34Å; I580-Q582 PolarHBondContact O-N 3.21Å; I580-R583 PolarHBondContact O-N 3.22Å; I580-R583 VanDerWaalsContact O-N 3.08Å; I580-A584 WeakPolarHBondContact O-CB 3.27Å; I580-A584 PolarHBondContact O-N 2.82Å
581	W	73.5	Confident	73.3	Confident	58 Å²	58	51 Å²	51	22%	0.22	31%	0.306	C	S	.	.	H	α-helix	trans	-61.6	-41.1	178.5	-51.8	-43.1	0	0	0	112.1	E577 A578 R583 A584 G585 A586 P588 P589	E577-W581 HydrophobicContact CB-CH2 3.58Å; E577-W581 HydrophobicContact CB-CZ2 3.68Å; E577-W581 HydrophobicContact CB-CZ3 4.17Å; E577-W581 HydrophobicContact CG-CZ2 4.43Å; E577-W581 VanDerWaalsContact O-CD2 3.23Å; E577-W581 PolarHBondContact O-N 3.46Å; E577-W581 VanDerWaalsContact O-N 3.11Å; A578-W581 HydrophobicContact CB-CE3 4.48Å; A578-W581 HydrophobicContact CB-CZ3 4.49Å; W581-R583 VanDerWaalsContact C-N 3.29Å; W581-R583 PolarHBondContact O-N 2.82Å; W581-A584 PolarHBondContact O-N 3.38Å; W581-G585 PolarHBondContact O-N 2.97Å; W581-A586 PolarHBondContact O-N 2.7Å; W581-P588 HydrophobicContact CD2-CB 3.99Å; W581-P588 HydrophobicContact CE3-CB 3.47Å; W581-P588 VanDerWaalsContact CE3-CB 3.47Å; W581-P588 HydrophobicContact CZ3-CB 3.9Å; W581-P589 HydrophobicContact CH2-CG 3.64Å; W581-P589 HydrophobicContact CZ2-CG 3.49Å; W581-P589 VanDerWaalsContact CZ2-CG 3.49Å; W581-P589 HydrophobicContact CZ3-CG 4.41Å
582	Q	72.6	Confident	71.8	Confident	74 Å²	74	51.5 Å²	51.5	35%	0.346	31%	0.309	S	S	.	.	H	α-helix	trans	-58.9	-36.2	173.2	-75.2	169	42.1	0	0	113.5	I415 V426 A578 I580	I415-Q582 HydrophobicContact CG2-CG 4.17Å; V426-Q582 PolarHBondContact O-NE2 3.48Å; A578-Q582 WeakPolarHBondContact O-CG 3.49Å; A578-Q582 PolarHBondContact O-N 3.29Å; A578-Q582 PolarHBondContact O-NE2 3.17Å; A578-Q582 VanDerWaalsContact O-NE2 3.13Å; I580-Q582 VanDerWaalsContact C-N 3.34Å; I580-Q582 PolarHBondContact O-N 3.21Å
583	R	73.7	Confident	70.4	Confident	176 Å²	176	50.4 Å²	50.4	66%	0.664	31%	0.307	S	S	*	.	H	α-helix	trans	-77.9	-39.3	177.8	-76	173.6	168.2	-159.8	-5.5	112.5	T579 I580 W581 G585	T579-R583 WeakPolarHBondContact O-CG 3.3Å; T579-R583 PolarHBondContact O-N 3.42Å; T579-R583 VanDerWaalsContact O-N 3.15Å; I580-R583 PolarHBondContact O-N 3.22Å; I580-R583 VanDerWaalsContact O-N 3.08Å; W581-R583 VanDerWaalsContact C-N 3.29Å; W581-R583 PolarHBondContact O-N 2.82Å; R583-G585 VanDerWaalsContact C-N 3.31Å
584	A	72.4	Confident	69.5	Low	74 Å²	74	50 Å²	50	61%	0.612	31%	0.31	S	S	*	.	H	α-helix	trans	-73.6	-22	178.7	0	0	0	0	0	113.2	I580 W581 A586	I580-A584 WeakPolarHBondContact O-CB 3.27Å; I580-A584 PolarHBondContact O-N 2.82Å; W581-A584 PolarHBondContact O-N 3.38Å; A584-A586 HydrophobicContact CB-CB 4.09Å; A584-A586 PolarHBondContact O-N 3.32Å
585	G	64.7	Low	68.6	Low	72 Å²	72	50.8 Å²	50.8	74%	0.742	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	11.1	-169.6	0	0	0	0	0	113.4	W581 R583	W581-G585 PolarHBondContact O-N 2.97Å; R583-G585 VanDerWaalsContact C-N 3.31Å
586	A	58.5	Low	67.6	Low	46 Å²	46	51.8 Å²	51.8	38%	0.38	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-76.6	152.6	179.2	0	0	0	0	0	111.4	W581 A584	W581-A586 PolarHBondContact O-N 2.7Å; A584-A586 HydrophobicContact CB-CB 4.09Å; A584-A586 PolarHBondContact O-N 3.32Å
587	P	57.7	Low	66.7	Low	109 Å²	109	49.9 Å²	49.9	71%	0.708	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-62.8	146.3	163.5	30	-34.5	0	0	0	110
588	P	60.8	Low	65.9	Low	31 Å²	31	51.6 Å²	51.6	20%	0.201	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-69	159.8	167.7	32.4	-35.2	0	0	0	110.6	W581 S590 V594	W581-P588 HydrophobicContact CD2-CB 3.99Å; W581-P588 HydrophobicContact CE3-CB 3.47Å; W581-P588 VanDerWaalsContact CE3-CB 3.47Å; W581-P588 HydrophobicContact CZ3-CB 3.9Å; P588-S590 PolarHBondContact O-N 3.28Å; P588-V594 HydrophobicContact CG-CG2 3.35Å
589	P	55.2	Low	65	Low	106 Å²	106	61.7 Å²	61.7	69%	0.688	36%	0.358	S	S	*	.	S	Bend	trans	-68.6	-15.4	-177.1	28.7	-37.2	0	0	0	114.2	W581	W581-P589 HydrophobicContact CH2-CG 3.64Å; W581-P589 HydrophobicContact CZ2-CG 3.49Å; W581-P589 VanDerWaalsContact CZ2-CG 3.49Å; W581-P589 HydrophobicContact CZ3-CG 4.41Å
590	S	58.7	Low	64	Low	11 Å²	11	67.5 Å²	67.5	8%	0.077	39%	0.389	C	S	.	.	S	Bend	trans	-123.5	126.3	178.3	175.7	0	0	0	0	110.1	D396 P588 S592 S593	D396-S590 WeakPolarHBondContact CB-OG 3.33Å; D396-S590 WeakPolarHBondContact OD1-CB 3.3Å; D396-S590 PolarHBondContact OD1-OG 3.29Å; P588-S590 PolarHBondContact O-N 3.28Å; S590-S592 PolarHBondContact O-N 3.28Å; S590-S592 PolarHBondContact OG-OG 2.84Å; S590-S593 WeakPolarHBondContact O-CB 3.42Å; S590-S593 PolarHBondContact O-N 2.72Å; S590-S593 VanDerWaalsContact O-N 3.13Å
591	G	55.2	Low	62.5	Low	30 Å²	30	71.6 Å²	71.6	31%	0.309	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-61.3	-34.2	179.4	0	0	0	0	0	112.5	D396 Q399 S593 V594	D396-G591 CarbonylContact O-C 3.58Å; D396-G591 WeakPolarHBondContact O-CA 3.49Å; D396-G591 PolarHBondContact O-N 2.92Å; Q399-G591 PolarHBondContact NE2-O 3.48Å; G591-S593 PolarHBondContact O-N 2.72Å; G591-S593 VanDerWaalsContact O-N 3.13Å; G591-V594 PolarHBondContact O-N 3.07Å
592	S	56.4	Low	61.1	Low	13 Å²	13	75.4 Å²	75.4	9%	0.091	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-55.1	-26.2	174.4	75.3	0	0	0	0	114.3	D396 K428 S590 V594	D396-S592 PolarHBondContact O-N 2.85Å; K428-S592 WeakPolarHBondContact CD-O 3.29Å; S590-S592 PolarHBondContact O-N 3.28Å; S590-S592 PolarHBondContact OG-OG 2.84Å; S592-V594 VanDerWaalsContact C-N 3.32Å; S592-V594 PolarHBondContact O-N 2.85Å
593	S	58.5	Low	59.4	Low	9 Å²	9	81.2 Å²	81.2	6%	0.063	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-83.6	-4.9	-171.6	-62.5	0	0	0	0	114	R427 K428 S590 G591	R427-S593 PolarHBondContact NH1-OG 3.5Å; K428-S593 PolarHBondContact N-O 3.31Å; S590-S593 WeakPolarHBondContact O-CB 3.42Å; S590-S593 PolarHBondContact O-N 2.72Å; S590-S593 VanDerWaalsContact O-N 3.13Å; G591-S593 PolarHBondContact O-N 2.72Å; G591-S593 VanDerWaalsContact O-N 3.13Å
594	V	66.3	Low	58.7	Low	45 Å²	45	75.4 Å²	75.4	27%	0.273	45%	0.451	S	S	.	.	S	Bend	trans	-94.4	152.5	-178.4	-165.9	0	0	0	0	111.5	P588 G591 S592 T596	P588-V594 HydrophobicContact CG-CG2 3.35Å; G591-V594 PolarHBondContact O-N 3.07Å; S592-V594 VanDerWaalsContact C-N 3.32Å; S592-V594 PolarHBondContact O-N 2.85Å; V594-T596 PolarHBondContact O-N 2.85Å
595	S	66.4	Low	58	Low	27 Å²	27	82.2 Å²	82.2	19%	0.189	47%	0.467	C	S	.	.			trans	-66.5	107.3	158.5	164	0	0	0	0	110.7	V413 A597	V413-S595 PolarHBondContact O-OG 2.96Å; S595-A597 VanDerWaalsContact C-N 3.32Å
596	T	64.3	Low	58.1	Low	21 Å²	21	83 Å²	83	13%	0.129	45%	0.453	C	S	.	.			trans	-78.5	-22.4	175.6	73.8	0	0	0	0	111.8	Q399 E400 Y405 V594	Q399-T596 HydrophobicContact CB-CG2 3.87Å; Q399-T596 HydrophobicContact CG-CG2 3.61Å; Q399-T596 VanDerWaalsContact OE1-CG2 3.29Å; E400-T596 PolarHBondContact OE1-OG1 2.92Å; E400-T596 WeakPolarHBondContact OE2-CB 3.07Å; E400-T596 WeakPolarHBondContact OE2-CG2 3.31Å; E400-T596 PolarHBondContact OE2-OG1 3.33Å; Y405-T596 PolarHBondContact OH-OG1 3.04Å; V594-T596 PolarHBondContact O-N 2.85Å
597	A	64.9	Low	59.3	Low	3 Å²	3	84.2 Å²	84.2	3%	0.025	46%	0.459	C	S	.	.	S	Bend	trans	-42.3	133	177.6	0	0	0	0	0	113.4	Y405 P412 S595 R599	Y405-A597 HydrophobicContact CD1-CB 4.1Å; Y405-A597 HydrophobicContact CE1-CB 3.57Å; Y405-A597 HydrophobicContact CE2-CB 4.17Å; P412-A597 HydrophobicContact CB-CB 3.75Å; S595-A597 VanDerWaalsContact C-N 3.32Å; A597-R599 PolarHBondContact O-N 3.19Å
598	P	65.9	Low	60.4	Low	65 Å²	65	88.1 Å²	88.1	42%	0.422	47%	0.465	S	S	.	.			trans	-47.8	130	-177.3	-32.2	35.7	0	0	0	113.9	Y405	Y405-P598 HydrophobicContact CD2-CG 4.49Å; Y405-P598 HydrophobicContact CG-CG 4.44Å
599	R	62.8	Low	61.5	Low	216 Å²	216	92.5 Å²	92.5	82%	0.815	49%	0.487	S	S	*	.			trans	-70.3	142.1	172.1	-63.1	-178.8	-178.8	-175.7	0.9	108.6	A597 E601	A597-R599 PolarHBondContact O-N 3.19Å; R599-E601 PolarHBondContact O-N 3.39Å
600	D	57.3	Low	62.6	Low	126 Å²	126	90.9 Å²	90.9	67%	0.674	47%	0.469	S	S	*	.			trans	-71.3	90.2	-176.9	-46.2	-79.8	0	0	0	110.2	K414 E602	K414-D600 IonicContact NZ-OD1 3.05Å; K414-D600 PolarHBondContact NZ-OD1 3.37Å; K414-D600 IonicContact NZ-OD2 2.73Å; K414-D600 PolarHBondContact NZ-OD2 2.59Å; D600-E602 PolarHBondContact O-N 2.88Å
601	E	46.3	Very low	63.6	Low	191 Å²	191	97.3 Å²	97.3	89%	0.893	50%	0.495	S	S	*	.			trans	-71.1	48.8	-175.5	-67.5	-144.4	140.2	0	0	115	R599 M603	R599-E601 PolarHBondContact O-N 3.39Å; E601-M603 VanDerWaalsContact C-N 3.3Å; E601-M603 PolarHBondContact O-N 3.09Å
602	E	44	Very low	65.1	Low	139 Å²	139	103 Å²	103	65%	0.65	51%	0.512	S	S	*	.			trans	-88.8	65.9	160.9	-73.4	-163.6	140.4	0	0	110.4	D600 G604 K610	D600-E602 PolarHBondContact O-N 2.88Å; E602-G604 PolarHBondContact O-N 3.05Å; E602-K610 IonicContact OE2-NZ 2.72Å; E602-K610 PolarHBondContact OE2-NZ 3.09Å
603	M	37	Very low	66.3	Low	195 Å²	195	110.2 Å²	110.2	96%	0.961	54%	0.541	S	S	*	.			trans	-76.1	41.6	176.8	-158.4	167.6	69.3	0	0	113.1	E601	E601-M603 VanDerWaalsContact C-N 3.3Å; E601-M603 PolarHBondContact O-N 3.09Å
604	G	58.7	Low	67	Low	55 Å²	55	114.1 Å²	114.1	57%	0.567	56%	0.561	S	S	*	*	S	Bend	trans	-91.8	171.7	170.5	0	0	0	0	0	112.7	E602 L606	E602-G604 PolarHBondContact O-N 3.05Å; G604-L606 PolarHBondContact O-N 3.39Å
605	K	58.2	Low	67.7	Low	217 Å²	217	120.1 Å²	120.1	94%	0.943	58%	0.583	S	S	*	*			trans	-62.5	97.7	175	-75.4	-179.2	178.4	173.8	0	110.7	S607	K605-S607 PolarHBondContact O-N 2.89Å
606	L	66.6	Low	68.5	Low	87 Å²	87	128.1 Å²	128.1	46%	0.455	61%	0.61	S	S	.	*			trans	-48.5	110.4	-178.7	-75	166.3	0	0	0	112.3	G604 K610 L614	G604-L606 PolarHBondContact O-N 3.39Å; L606-K610 HydrophobicContact CD2-CB 4.43Å; L606-K610 HydrophobicContact CD2-CD 3.61Å; L606-K610 HydrophobicContact CD2-CG 3.87Å; L606-L614 HydrophobicContact CD1-CD1 4.4Å; L606-L614 HydrophobicContact CD2-CD1 4.16Å
607	S	83.5	Confident	69.1	Low	73 Å²	73	131.4 Å²	131.4	51%	0.51	62%	0.622	S	S	.	*			trans	-48.8	143.3	173.6	168.9	0	0	0	0	111.5	K605 N609 K610 K611	K605-S607 PolarHBondContact O-N 2.89Å; S607-N609 PolarHBondContact O-N 3.21Å; S607-N609 PolarHBondContact OG-N 2.85Å; S607-K610 WeakPolarHBondContact O-CA 3.28Å; S607-K610 PolarHBondContact O-N 3.33Å; S607-K611 PolarHBondContact O-N 2.96Å
608	K	82.2	Confident	69.6	Low	190 Å²	190	133.7 Å²	133.7	83%	0.826	64%	0.641	S	S	*	*	H	α-helix	trans	-49.2	-36.9	177.7	-67.1	-178.5	-179.8	177.5	0	111.7	K612	K608-K612 WeakPolarHBondContact O-CB 3.38Å; K608-K612 PolarHBondContact O-N 3.41Å
609	N	82.8	Confident	70.5	Confident	123 Å²	123	138.1 Å²	138.1	66%	0.658	65%	0.654	S	S	*	*	H	α-helix	trans	-72.5	-41.2	176.7	-72.5	-6.2	0	0	0	113	S607 K612 K613	S607-N609 PolarHBondContact O-N 3.21Å; S607-N609 PolarHBondContact OG-N 2.85Å; N609-K612 PolarHBondContact O-N 3.07Å; N609-K613 WeakPolarHBondContact O-CB 3.29Å; N609-K613 PolarHBondContact O-N 2.98Å
610	K	77.6	Confident	71.5	Confident	73 Å²	73	135.5 Å²	135.5	32%	0.317	64%	0.643	S	S	.	*	H	α-helix	trans	-63.9	-42	174.5	-167.7	171.4	170.2	-171.1	0	110.6	E602 L606 S607 K613 L614	E602-K610 IonicContact OE2-NZ 2.72Å; E602-K610 PolarHBondContact OE2-NZ 3.09Å; L606-K610 HydrophobicContact CD2-CB 4.43Å; L606-K610 HydrophobicContact CD2-CD 3.61Å; L606-K610 HydrophobicContact CD2-CG 3.87Å; S607-K610 WeakPolarHBondContact O-CA 3.28Å; S607-K610 PolarHBondContact O-N 3.33Å; K610-K613 PolarHBondContact O-N 3.29Å; K610-L614 HydrophobicContact CG-CD1 4.41Å; K610-L614 WeakPolarHBondContact O-CB 3.38Å; K610-L614 WeakPolarHBondContact O-CG 3.19Å; K610-L614 PolarHBondContact O-N 3.45Å
611	K	81.3	Confident	72.4	Confident	145 Å²	145	131.9 Å²	131.9	63%	0.63	62%	0.623	S	S	*	*	H	α-helix	trans	-64.4	-39.8	173.7	-164.9	168.7	-175.4	172.4	0	112.7	S607 K615	S607-K611 PolarHBondContact O-N 2.96Å; K611-K615 PolarHBondContact O-N 2.81Å
612	K	85.9	Confident	73.9	Confident	150 Å²	150	129.1 Å²	129.1	65%	0.652	61%	0.61	S	S	*	*	H	α-helix	trans	-66.5	-38.7	173.6	-170	175.1	-178.3	179.1	0	112.2	K608 N609 R616	K608-K612 WeakPolarHBondContact O-CB 3.38Å; K608-K612 PolarHBondContact O-N 3.41Å; N609-K612 PolarHBondContact O-N 3.07Å; K612-R616 WeakPolarHBondContact O-CG 3.46Å; K612-R616 PolarHBondContact O-N 3.29Å; K612-R616 VanDerWaalsContact O-N 3.08Å
613	K	80.8	Confident	75.9	Confident	165 Å²	165	128.1 Å²	128.1	72%	0.717	60%	0.603	S	S	*	*	H	α-helix	trans	-65.2	-45.5	174.7	-170.3	177.6	-179.4	-178	0	111.3	N609 K610 R616 K617	N609-K613 WeakPolarHBondContact O-CB 3.29Å; N609-K613 PolarHBondContact O-N 2.98Å; K610-K613 PolarHBondContact O-N 3.29Å; K613-R616 PolarHBondContact O-N 3.19Å; K613-K617 PolarHBondContact O-N 2.94Å
614	L	73.8	Confident	78.1	Confident	91 Å²	91	119.6 Å²	119.6	48%	0.476	56%	0.562	S	S	.	*	H	α-helix	trans	-59.9	-48.5	174.6	-74.6	165.5	0	0	0	112	L606 K610 R616 K617 A618	L606-L614 HydrophobicContact CD1-CD1 4.4Å; L606-L614 HydrophobicContact CD2-CD1 4.16Å; K610-L614 HydrophobicContact CG-CD1 4.41Å; K610-L614 WeakPolarHBondContact O-CB 3.38Å; K610-L614 WeakPolarHBondContact O-CG 3.19Å; K610-L614 PolarHBondContact O-N 3.45Å; L614-R616 PolarHBondContact O-N 3.46Å; L614-K617 PolarHBondContact O-N 3.3Å; L614-K617 VanDerWaalsContact O-N 3.07Å; L614-A618 PolarHBondContact O-N 2.95Å
615	K	81.5	Confident	79.1	Confident	170 Å²	170	118.1 Å²	118.1	74%	0.739	54%	0.54	S	S	*	.	H	α-helix	trans	-61	-31.5	176.3	-170.3	168.5	-178.1	173.6	0	112.7	K611 K619	K611-K615 PolarHBondContact O-N 2.81Å; K615-K619 PolarHBondContact O-N 3.18Å; K615-K619 VanDerWaalsContact O-N 3.11Å
616	R	83.1	Confident	80.2	Confident	196 Å²	196	112.7 Å²	112.7	74%	0.74	52%	0.518	S	S	*	.	H	α-helix	trans	-71.6	-39.9	171.3	-74.7	-178.4	74.1	-173.1	4.5	113.1	K612 K613 L614 R620	K612-R616 WeakPolarHBondContact O-CG 3.46Å; K612-R616 PolarHBondContact O-N 3.29Å; K612-R616 VanDerWaalsContact O-N 3.08Å; K613-R616 PolarHBondContact O-N 3.19Å; L614-R616 PolarHBondContact O-N 3.46Å; R616-R620 PolarHBondContact O-N 3.24Å; R616-R620 VanDerWaalsContact O-N 3.12Å
617	K	77.9	Confident	81.1	Confident	89 Å²	89	111.5 Å²	111.5	39%	0.387	51%	0.51	S	S	.	.	H	α-helix	trans	-62.8	-50.1	174	-166.5	-172.1	179.1	-173	0	110.2	D417 K613 L614 K619 R620 Q621	D417-K617 WeakPolarHBondContact OD1-CE 3.48Å; D417-K617 IonicContact OD1-NZ 3.16Å; D417-K617 PolarHBondContact OD1-NZ 3.33Å; K613-K617 PolarHBondContact O-N 2.94Å; L614-K617 PolarHBondContact O-N 3.3Å; L614-K617 VanDerWaalsContact O-N 3.07Å; K617-K619 PolarHBondContact O-N 3.07Å; K617-R620 WeakPolarHBondContact O-CA 3.32Å; K617-R620 WeakPolarHBondContact O-CB 3.41Å; K617-R620 PolarHBondContact O-N 2.71Å; K617-Q621 HydrophobicContact CG-CG 4.3Å; K617-Q621 WeakPolarHBondContact O-CG 3.32Å; K617-Q621 PolarHBondContact O-N 3.13Å
618	A	75.4	Confident	81	Confident	51 Å²	51	108.1 Å²	108.1	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-56.4	-48.6	178.9	0	0	0	0	0	112.5	L614 R620 Q621 Q622	L614-A618 PolarHBondContact O-N 2.95Å; A618-R620 VanDerWaalsContact C-N 3.29Å; A618-R620 PolarHBondContact O-N 3.23Å; A618-Q621 PolarHBondContact O-N 3.41Å; A618-Q622 WeakPolarHBondContact O-CB 3.47Å; A618-Q622 PolarHBondContact O-N 2.83Å
619	K	84.1	Confident	81	Confident	159 Å²	159	100.9 Å²	100.9	69%	0.691	46%	0.457	S	S	*	.	H	α-helix	trans	-63.6	-32.1	176.4	-174.2	168.2	-178.1	174.6	0	112.9	K615 K617 K623	K615-K619 PolarHBondContact O-N 3.18Å; K615-K619 VanDerWaalsContact O-N 3.11Å; K617-K619 PolarHBondContact O-N 3.07Å; K619-K623 PolarHBondContact O-N 2.95Å; K619-K623 VanDerWaalsContact O-N 3.11Å
620	R	82.8	Confident	80.9	Confident	160 Å²	160	100.1 Å²	100.1	60%	0.604	45%	0.451	S	S	*	.	H	α-helix	trans	-68.9	-45.5	173.8	-173.7	-179.5	-178.6	-179	2.4	111.5	R616 K617 A618 Q622 K623 L624	R616-R620 PolarHBondContact O-N 3.24Å; R616-R620 VanDerWaalsContact O-N 3.12Å; K617-R620 WeakPolarHBondContact O-CA 3.32Å; K617-R620 WeakPolarHBondContact O-CB 3.41Å; K617-R620 PolarHBondContact O-N 2.71Å; A618-R620 VanDerWaalsContact C-N 3.29Å; A618-R620 PolarHBondContact O-N 3.23Å; R620-Q622 VanDerWaalsContact C-N 3.34Å; R620-K623 PolarHBondContact O-N 2.89Å; R620-L624 HydrophobicContact CG-CD1 4.16Å; R620-L624 WeakPolarHBondContact O-CG 3.33Å; R620-L624 PolarHBondContact O-N 3.22Å
621	Q	77.6	Confident	81.2	Confident	51 Å²	51	97.3 Å²	97.3	24%	0.238	44%	0.439	C	S	.	.	H	α-helix	trans	-62.1	-42.5	177.2	-69.4	177	-65	0	0	111.2	G416 K617 A618 K623 L624 L625	G416-Q621 VanDerWaalsContact C-NE2 3.28Å; G416-Q621 WeakPolarHBondContact O-CG 3.18Å; G416-Q621 PolarHBondContact O-NE2 2.98Å; K617-Q621 HydrophobicContact CG-CG 4.3Å; K617-Q621 WeakPolarHBondContact O-CG 3.32Å; K617-Q621 PolarHBondContact O-N 3.13Å; A618-Q621 PolarHBondContact O-N 3.41Å; Q621-K623 PolarHBondContact O-N 3.49Å; Q621-L624 PolarHBondContact O-N 3.09Å; Q621-L625 WeakPolarHBondContact O-CB 3.45Å; Q621-L625 PolarHBondContact O-N 2.84Å
622	Q	76.9	Confident	81.3	Confident	133 Å²	133	91.2 Å²	91.2	62%	0.621	41%	0.413	S	S	*	.	H	α-helix	trans	-59.7	-45.5	174.5	-171.3	174.5	6.6	0	0	112	A618 R620 L624 L625 E626	A618-Q622 WeakPolarHBondContact O-CB 3.47Å; A618-Q622 PolarHBondContact O-N 2.83Å; R620-Q622 VanDerWaalsContact C-N 3.34Å; Q622-L624 PolarHBondContact O-N 3.46Å; Q622-L625 PolarHBondContact O-N 3.1Å; Q622-E626 WeakPolarHBondContact O-CB 3.47Å; Q622-E626 PolarHBondContact O-N 2.92Å
623	K	85.3	Confident	81.1	Confident	117 Å²	117	89.4 Å²	89.4	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-62	-43.2	175	-166.3	-155.5	177.9	-63.9	0	112	K619 R620 Q621 L625 E626 E627	K619-K623 PolarHBondContact O-N 2.95Å; K619-K623 VanDerWaalsContact O-N 3.11Å; R620-K623 PolarHBondContact O-N 2.89Å; Q621-K623 PolarHBondContact O-N 3.49Å; K623-L625 VanDerWaalsContact C-N 3.27Å; K623-L625 PolarHBondContact O-N 3.22Å; K623-E626 PolarHBondContact O-N 3.41Å; K623-E627 IonicContact NZ-OE2 2.7Å; K623-E627 PolarHBondContact NZ-OE2 3.29Å; K623-E627 WeakPolarHBondContact O-CB 3.2Å; K623-E627 PolarHBondContact O-N 3.21Å
624	L	83.6	Confident	81.2	Confident	17 Å²	17	87.7 Å²	87.7	9%	0.089	40%	0.396	C	S	.	.	H	α-helix	trans	-66.3	-29.6	178.9	-70.4	171.2	0	0	0	112.7	L418 L443 R620 Q621 Q622 R628	L418-L624 HydrophobicContact CD2-CD1 4.04Å; L443-L624 HydrophobicContact CD1-CD2 3.93Å; L443-L624 HydrophobicContact CD2-CD2 4.34Å; R620-L624 HydrophobicContact CG-CD1 4.16Å; R620-L624 WeakPolarHBondContact O-CG 3.33Å; R620-L624 PolarHBondContact O-N 3.22Å; Q621-L624 PolarHBondContact O-N 3.09Å; Q622-L624 PolarHBondContact O-N 3.46Å; L624-R628 VanDerWaalsContact O-CB 3.27Å; L624-R628 WeakPolarHBondContact O-CB 3.23Å; L624-R628 PolarHBondContact O-N 3.09Å
625	L	79.3	Confident	81.4	Confident	23 Å²	23	85.8 Å²	85.8	12%	0.12	39%	0.385	C	S	.	.	H	α-helix	trans	-75.1	-41.3	174	-174.6	61.8	0	0	0	111.9	T579 Q621 Q622 K623 L629	T579-L625 HydrophobicContact CG2-CD1 3.79Å; T579-L625 HydrophobicContact CG2-CD2 4.15Å; T579-L625 HydrophobicContact CG2-CG 4.24Å; Q621-L625 WeakPolarHBondContact O-CB 3.45Å; Q621-L625 PolarHBondContact O-N 2.84Å; Q622-L625 PolarHBondContact O-N 3.1Å; K623-L625 VanDerWaalsContact C-N 3.27Å; K623-L625 PolarHBondContact O-N 3.22Å; L625-L629 HydrophobicContact CG-CD1 4.31Å; L625-L629 WeakPolarHBondContact O-CD1 3.3Å; L625-L629 VanDerWaalsContact O-CG 3.26Å; L625-L629 WeakPolarHBondContact O-CG 3.39Å; L625-L629 PolarHBondContact O-N 3.22Å
626	E	82.6	Confident	81.2	Confident	103 Å²	103	81.3 Å²	81.3	48%	0.481	37%	0.369	S	S	.	.	H	α-helix	trans	-64.6	-46.2	175.4	-177.2	171.5	-140.8	0	0	111.7	Q622 K623 L629 M630	Q622-E626 WeakPolarHBondContact O-CB 3.47Å; Q622-E626 PolarHBondContact O-N 2.92Å; K623-E626 PolarHBondContact O-N 3.41Å; E626-L629 PolarHBondContact O-N 2.76Å; E626-M630 HydrophobicContact CG-CE 4.08Å; E626-M630 WeakPolarHBondContact O-CG 3.03Å; E626-M630 PolarHBondContact O-N 3.32Å
627	E	84.3	Confident	81.1	Confident	62 Å²	62	78 Å²	78	29%	0.29	36%	0.362	S	S	.	.	H	α-helix	trans	-59.3	-46.8	174.9	-173	173.7	153.9	0	0	111.6	K623 L629 M630 D631	K623-E627 IonicContact NZ-OE2 2.7Å; K623-E627 PolarHBondContact NZ-OE2 3.29Å; K623-E627 WeakPolarHBondContact O-CB 3.2Å; K623-E627 PolarHBondContact O-N 3.21Å; E627-L629 VanDerWaalsContact C-N 3.34Å; E627-L629 PolarHBondContact O-N 3.49Å; E627-M630 PolarHBondContact O-N 3.14Å; E627-D631 PolarHBondContact O-N 3.4Å
628	R	82	Confident	80.8	Confident	2 Å²	2	78.7 Å²	78.7	1%	0.008	37%	0.367	C	S	.	.	H	α-helix	trans	-60	-39	173.5	168.5	-179.8	164.1	-109.9	-17.3	112.9	W441 A575 T579 L624 D631 I632	W441-R628 HydrophobicContact CB-CG 4.4Å; W441-R628 HydrophobicContact CD2-CG 3.95Å; W441-R628 HydrophobicContact CG-CB 4.33Å; W441-R628 HydrophobicContact CG-CG 3.79Å; A575-R628 PolarHBondContact O-NH2 3.13Å; T579-R628 PolarHBondContact OG1-NH1 3.34Å; L624-R628 VanDerWaalsContact O-CB 3.27Å; L624-R628 WeakPolarHBondContact O-CB 3.23Å; L624-R628 PolarHBondContact O-N 3.09Å; R628-D631 PolarHBondContact O-N 3.1Å; R628-I632 HydrophobicContact CG-CD1 3.83Å; R628-I632 WeakPolarHBondContact O-CD1 3.49Å; R628-I632 VanDerWaalsContact O-CG1 3.26Å; R628-I632 WeakPolarHBondContact O-CG1 3.4Å; R628-I632 PolarHBondContact O-N 3.43Å
629	L	81.4	Confident	80.4	Confident	39 Å²	39	80.4 Å²	80.4	20%	0.204	37%	0.366	C	S	.	.	H	α-helix	trans	-70.9	-38.2	179.6	-74	165.7	0	0	0	111.5	T579 L625 E626 E627 D631 I632 Q633	T579-L629 HydrophobicContact CG2-CD1 4.2Å; T579-L629 HydrophobicContact CG2-CD2 4.44Å; L625-L629 HydrophobicContact CG-CD1 4.31Å; L625-L629 WeakPolarHBondContact O-CD1 3.3Å; L625-L629 VanDerWaalsContact O-CG 3.26Å; L625-L629 WeakPolarHBondContact O-CG 3.39Å; L625-L629 PolarHBondContact O-N 3.22Å; E626-L629 PolarHBondContact O-N 2.76Å; E627-L629 VanDerWaalsContact C-N 3.34Å; E627-L629 PolarHBondContact O-N 3.49Å; L629-D631 VanDerWaalsContact C-N 3.34Å; L629-I632 PolarHBondContact O-N 3.36Å; L629-Q633 VanDerWaalsContact O-CG 3.31Å; L629-Q633 WeakPolarHBondContact O-CG 3.44Å; L629-Q633 PolarHBondContact O-N 3.13Å
630	M	82.4	Confident	79.2	Confident	107 Å²	107	75.3 Å²	75.3	53%	0.527	36%	0.359	S	S	.	.	H	α-helix	trans	-65.6	-35.8	171.8	-68.5	175.8	176.3	0	0	112.5	E626 E627 R634	E626-M630 HydrophobicContact CG-CE 4.08Å; E626-M630 WeakPolarHBondContact O-CG 3.03Å; E626-M630 PolarHBondContact O-N 3.32Å; E627-M630 PolarHBondContact O-N 3.14Å; M630-R634 PolarHBondContact O-N 2.94Å
631	D	84.1	Confident	77.9	Confident	13 Å²	13	74.9 Å²	74.9	7%	0.07	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-49.2	172.6	-64.7	-40.9	0	0	0	110.9	W441 K446 E627 R628 L629 R634 M635	W441-D631 HydrophobicContact CH2-CB 4.47Å; W441-D631 HydrophobicContact CZ2-CB 3.61Å; W441-D631 PolarHBondContact NE1-OD2 3.13Å; K446-D631 HydrophobicContact CD-CB 4.24Å; K446-D631 WeakPolarHBondContact CD-OD2 3.38Å; K446-D631 WeakPolarHBondContact CE-OD1 3.23Å; K446-D631 IonicContact NZ-OD1 3.21Å; K446-D631 PolarHBondContact NZ-OD1 2.94Å; K446-D631 IonicContact NZ-OD2 3.41Å; K446-D631 PolarHBondContact NZ-OD2 3.23Å; E627-D631 PolarHBondContact O-N 3.4Å; R628-D631 PolarHBondContact O-N 3.1Å; L629-D631 VanDerWaalsContact C-N 3.34Å; D631-R634 PolarHBondContact O-N 2.93Å; D631-M635 WeakPolarHBondContact O-CG 3.44Å; D631-M635 PolarHBondContact O-N 3.09Å; D631-M635 VanDerWaalsContact O-N 3.11Å
632	I	81.7	Confident	76.3	Confident	17 Å²	17	79.6 Å²	79.6	9%	0.087	39%	0.39	C	S	.	.	H	α-helix	trans	-63.3	-44.5	-179.2	-67.1	161.7	0	0	0	111.2	W441 F448 R572 R628 L629 R634 M635 D636	W441-I632 HydrophobicContact CH2-CG1 4Å; W441-I632 HydrophobicContact CZ2-CG1 4.45Å; W441-I632 HydrophobicContact CZ3-CG1 4.22Å; F448-I632 HydrophobicContact CE2-CD1 4.39Å; F448-I632 HydrophobicContact CZ-CD1 3.83Å; F448-I632 HydrophobicContact CZ-CG1 4.49Å; R572-I632 HydrophobicContact CG-CG2 4.26Å; R628-I632 HydrophobicContact CG-CD1 3.83Å; R628-I632 WeakPolarHBondContact O-CD1 3.49Å; R628-I632 VanDerWaalsContact O-CG1 3.26Å; R628-I632 WeakPolarHBondContact O-CG1 3.4Å; R628-I632 PolarHBondContact O-N 3.43Å; L629-I632 PolarHBondContact O-N 3.36Å; I632-R634 VanDerWaalsContact C-N 3.27Å; I632-R634 PolarHBondContact O-N 3.46Å; I632-M635 WeakPolarHBondContact O-CB 3.26Å; I632-M635 PolarHBondContact O-N 2.7Å; I632-M635 VanDerWaalsContact O-N 3.07Å; I632-D636 PolarHBondContact O-N 2.92Å
633	Q	81.9	Confident	74.4	Confident	113 Å²	113	81 Å²	81	53%	0.528	40%	0.396	S	S	.	.	H	α-helix	trans	-58.7	-39.4	177.4	-74.3	178.3	-65.4	0	0	112.1	L629 D636 E637	L629-Q633 VanDerWaalsContact O-CG 3.31Å; L629-Q633 WeakPolarHBondContact O-CG 3.44Å; L629-Q633 PolarHBondContact O-N 3.13Å; Q633-D636 PolarHBondContact O-N 3.31Å; Q633-E637 VanDerWaalsContact O-CG 3.3Å; Q633-E637 WeakPolarHBondContact O-CG 3.4Å; Q633-E637 PolarHBondContact O-N 3.43Å
634	R	83.6	Confident	72.2	Confident	128 Å²	128	80.2 Å²	80.2	48%	0.483	40%	0.403	S	S	.	.	H	α-helix	trans	-67.3	-36.9	175.2	-164.1	-172.6	-55.2	132.8	16.7	112.4	M630 D631 I632 E637 E638	M630-R634 PolarHBondContact O-N 2.94Å; D631-R634 PolarHBondContact O-N 2.93Å; I632-R634 VanDerWaalsContact C-N 3.27Å; I632-R634 PolarHBondContact O-N 3.46Å; R634-E637 PolarHBondContact O-N 2.98Å; R634-E638 WeakPolarHBondContact CD-OE1 3.31Å; R634-E638 HydrophobicContact CG-CG 4.22Å; R634-E638 VanDerWaalsContact CG-OE1 3.28Å; R634-E638 WeakPolarHBondContact CG-OE1 3.25Å; R634-E638 WeakPolarHBondContact O-CB 3.13Å; R634-E638 VanDerWaalsContact O-CG 3.31Å; R634-E638 WeakPolarHBondContact O-CG 3.29Å; R634-E638 PolarHBondContact O-N 3.09Å
635	M	77.1	Confident	69.9	Low	52 Å²	52	87.1 Å²	87.1	26%	0.256	44%	0.44	S	S	.	.	H	α-helix	trans	-65.6	-40.8	174.9	-67.1	173.9	67.7	0	0	111.6	W441 K446 D631 I632 E637 E638 E639	W441-M635 HydrophobicContact CH2-SD 3.83Å; K446-M635 HydrophobicContact CB-SD 4.47Å; K446-M635 WeakPolarHBondContact O-CE 3.35Å; D631-M635 WeakPolarHBondContact O-CG 3.44Å; D631-M635 PolarHBondContact O-N 3.09Å; D631-M635 VanDerWaalsContact O-N 3.11Å; I632-M635 WeakPolarHBondContact O-CB 3.26Å; I632-M635 PolarHBondContact O-N 2.7Å; I632-M635 VanDerWaalsContact O-N 3.07Å; M635-E637 VanDerWaalsContact C-N 3.29Å; M635-E637 PolarHBondContact O-N 3.1Å; M635-E638 PolarHBondContact O-N 2.93Å; M635-E639 WeakPolarHBondContact O-CB 3.37Å; M635-E639 WeakPolarHBondContact O-CG 3.39Å; M635-E639 PolarHBondContact O-N 3.21Å
636	D	78.4	Confident	68.2	Low	75 Å²	75	93.4 Å²	93.4	40%	0.401	47%	0.474	S	S	.	.	H	α-helix	trans	-62.9	-35.7	174.6	-61.9	-13.8	0	0	0	111.3	R572 I632 Q633 G640	R572-D636 WeakPolarHBondContact CD-OD1 3.45Å; R572-D636 IonicContact CZ-OD1 2.74Å; R572-D636 IonicContact NE-OD1 3.7Å; R572-D636 IonicContact NH1-OD1 2.82Å; R572-D636 PolarHBondContact NH1-OD1 3.46Å; I632-D636 PolarHBondContact O-N 2.92Å; Q633-D636 PolarHBondContact O-N 3.31Å; D636-G640 PolarHBondContact O-N 2.95Å; D636-G640 VanDerWaalsContact O-N 3.12Å
637	E	79.6	Confident	66	Low	127 Å²	127	92.1 Å²	92.1	59%	0.593	48%	0.481	S	S	*	.	H	α-helix	trans	-70.3	-44.5	172.9	-72.1	165.5	-175.8	0	0	112.7	Q633 R634 M635 G640 L641	Q633-E637 VanDerWaalsContact O-CG 3.3Å; Q633-E637 WeakPolarHBondContact O-CG 3.4Å; Q633-E637 PolarHBondContact O-N 3.43Å; R634-E637 PolarHBondContact O-N 2.98Å; M635-E637 VanDerWaalsContact C-N 3.29Å; M635-E637 PolarHBondContact O-N 3.1Å; E637-G640 PolarHBondContact O-N 3.28Å; E637-L641 WeakPolarHBondContact O-CG 3.38Å; E637-L641 PolarHBondContact O-N 3.32Å
638	E	73.6	Confident	63.5	Low	103 Å²	103	95.3 Å²	95.3	48%	0.481	50%	0.5	S	S	.	.	H	α-helix	trans	-69.3	-35	-179.1	-76.2	172.1	-168.5	0	0	112.3	R634 M635 Q642	R634-E638 WeakPolarHBondContact CD-OE1 3.31Å; R634-E638 HydrophobicContact CG-CG 4.22Å; R634-E638 VanDerWaalsContact CG-OE1 3.28Å; R634-E638 WeakPolarHBondContact CG-OE1 3.25Å; R634-E638 WeakPolarHBondContact O-CB 3.13Å; R634-E638 VanDerWaalsContact O-CG 3.31Å; R634-E638 WeakPolarHBondContact O-CG 3.29Å; R634-E638 PolarHBondContact O-N 3.09Å; M635-E638 PolarHBondContact O-N 2.93Å; E638-Q642 WeakPolarHBondContact O-CG 3.39Å; E638-Q642 PolarHBondContact O-NE2 3.43Å
639	E	66.5	Low	61.4	Low	87 Å²	87	101.4 Å²	101.4	41%	0.407	54%	0.54	S	S	.	.	H	α-helix	trans	-73.3	-37.8	171.4	-73.8	177.8	179.6	0	0	112.2	R572 M635 L641 Q642	R572-E639 IonicContact CZ-OE1 2.64Å; R572-E639 IonicContact CZ-OE2 2.71Å; R572-E639 IonicContact NH1-OE1 3.65Å; R572-E639 IonicContact NH1-OE2 2.69Å; R572-E639 PolarHBondContact NH1-OE2 2.71Å; R572-E639 VanDerWaalsContact NH2-CD 3.27Å; R572-E639 IonicContact NH2-OE1 3.52Å; R572-E639 PolarHBondContact NH2-OE1 2.7Å; R572-E639 IonicContact NH2-OE2 3.96Å; R572-E639 PolarHBondContact NH2-OE2 3.19Å; M635-E639 WeakPolarHBondContact O-CB 3.37Å; M635-E639 WeakPolarHBondContact O-CG 3.39Å; M635-E639 PolarHBondContact O-N 3.21Å; E639-L641 PolarHBondContact O-N 3.37Å; E639-Q642 PolarHBondContact O-N 3.32Å
640	G	59	Low	59.3	Low	52 Å²	52	104.5 Å²	104.5	54%	0.536	56%	0.561	S	S	.	*	H	α-helix	trans	-62	-23.2	176.5	0	0	0	0	0	113.8	D636 E637	D636-G640 PolarHBondContact O-N 2.95Å; D636-G640 VanDerWaalsContact O-N 3.12Å; E637-G640 PolarHBondContact O-N 3.28Å
641	L	53.9	Low	56.9	Low	152 Å²	152	105.3 Å²	105.3	80%	0.796	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	1.7	174.3	-71.9	165.8	0	0	0	114.1	E637 E639	E637-L641 WeakPolarHBondContact O-CG 3.38Å; E637-L641 PolarHBondContact O-N 3.32Å; E639-L641 PolarHBondContact O-N 3.37Å
642	Q	45.3	Very low	54.5	Low	149 Å²	149	111.3 Å²	111.3	70%	0.696	61%	0.609	S	S	*	*			trans	-116.5	6.2	-175.9	-75.3	176.1	70.5	0	0	114.2	E638 E639	E638-Q642 WeakPolarHBondContact O-CG 3.39Å; E638-Q642 PolarHBondContact O-NE2 3.43Å; E639-Q642 PolarHBondContact O-N 3.32Å
643	Q	36.2	Very low	52.2	Low	162 Å²	162	119.4 Å²	119.4	76%	0.757	65%	0.646	S	S	*	*	S	Bend	trans	-72.8	128.7	162.4	-63.7	-171.3	15	0	0	108.8
644	P	40	Very low	49.8	Very low	101 Å²	101	122.2 Å²	122.2	66%	0.656	66%	0.657	S	S	*	*			trans	-72.3	131.3	175.6	29.1	-32.8	0	0	0	110.6	D646	P644-D646 PolarHBondContact O-N 3.09Å
645	D	35.9	Very low	47.2	Very low	162 Å²	162	122.1 Å²	122.1	87%	0.866	67%	0.672	S	S	*	*			trans	-71.9	68.4	167.1	-77.7	-48.3	0	0	0	110.4	A647	D645-A647 PolarHBondContact O-N 3Å
646	D	41.7	Very low	44.9	Very low	155 Å²	155	124.2 Å²	124.2	83%	0.829	69%	0.692	S	S	*	*			trans	-74.3	63.8	169.4	-84.5	-46.9	0	0	0	110.5	P644	P644-D646 PolarHBondContact O-N 3.09Å
647	A	36.8	Very low	43.6	Very low	77 Å²	77	126.4 Å²	126.4	64%	0.636	71%	0.711	S	S	*	*			trans	-130.3	92.3	176.6	0	0	0	0	0	110	D645 P649	D645-A647 PolarHBondContact O-N 3Å; A647-P649 WeakPolarHBondContact O-CD 3.48Å
648	D	32	Very low	41	Very low	129 Å²	129	128.3 Å²	128.3	69%	0.69	73%	0.725	S	S	*	*			trans	-52.9	118.7	-179.6	178.2	-6	0	0	0	112.6	T650	D648-T650 VanDerWaalsContact C-N 3.27Å; D648-T650 VanDerWaalsContact CG-OG1 3.26Å; D648-T650 PolarHBondContact O-N 2.86Å; D648-T650 WeakPolarHBondContact OD1-CG2 3.48Å; D648-T650 PolarHBondContact OD1-N 3.15Å; D648-T650 PolarHBondContact OD1-OG1 3.15Å; D648-T650 PolarHBondContact OD2-OG1 2.78Å
649	P	37.9	Very low	38.9	Very low	129 Å²	129	128.7 Å²	128.7	84%	0.838	74%	0.739	S	S	*	*			trans	-84.5	51.3	-175.9	36.2	-37.1	0	0	0	113.4	A647	A647-P649 WeakPolarHBondContact O-CD 3.48Å
650	T	38.2	Very low	37	Very low	104 Å²	104	130 Å²	130	64%	0.638	76%	0.758	S	S	*	*			trans	-129.1	68.6	-179	58.5	0	0	0	0	116.7	D648	D648-T650 VanDerWaalsContact C-N 3.27Å; D648-T650 VanDerWaalsContact CG-OG1 3.26Å; D648-T650 PolarHBondContact O-N 2.86Å; D648-T650 WeakPolarHBondContact OD1-CG2 3.48Å; D648-T650 PolarHBondContact OD1-N 3.15Å; D648-T650 PolarHBondContact OD1-OG1 3.15Å; D648-T650 PolarHBondContact OD2-OG1 2.78Å
651	S	32.2	Very low	35.3	Very low	124 Å²	124	132.9 Å²	132.9	87%	0.867	77%	0.769	S	S	*	*			trans	-167.2	154.8	136.1	40.3	0	0	0	0	113.8
652	N	33	Very low	33.9	Very low	140 Å²	140	130 Å²	130	75%	0.749	76%	0.762	S	S	*	*			trans	-78.8	147.2	-179.5	-78.3	-70.9	0	0	0	112.2
653	H	33.1	Very low	33	Very low	186 Å²	186	133.4 Å²	133.4	86%	0.861	77%	0.769	S	S	*	*				-163.1	125.4	105.2	-101.2	-71.6	0	0	0	112.2
654	K	31.3	Very low	32.6	Very low	173 Å²	173	132 Å²	132	75%	0.752	77%	0.766	S	S	*	*			trans	-74.9	154.8	166.5	-73.3	-175.8	176.5	-179.7	0	110.7
655	P	30.2	Very low	32.1	Very low	125 Å²	125	133.2 Å²	133.2	81%	0.812	77%	0.767	S	S	*	*				-110.3	149.8	116.2	31.7	-34	0	0	0	112.2
656	S	28.2	Very low	31.6	Very low	97 Å²	97	129.1 Å²	129.1	68%	0.678	75%	0.745	S	S	*	*			trans	-82.6	157.1	169.3	-65	0	0	0	0	110.3
657	P	50.3	Low	30.9	Very low	121 Å²	121	132 Å²	132	79%	0.786	74%	0.744	S	S	*	*			trans	-82.1	166.1	-175.1	35.6	-37.1	0	0	0	112.2
658	D	25.7	Very low	30.5	Very low	166 Å²	166	136.3 Å²	136.3	89%	0.888	75%	0.749	S	S	*	*			trans	-143.7	159.8	142.4	-135.8	-30	0	0	0	111.7
659	S	29.2	Very low	30.4	Very low	112 Å²	112	134.9 Å²	134.9	78%	0.783	75%	0.749	S	S	*	*			trans	-113	134.8	-168.7	-59	0	0	0	0	113.1
660	S	26.4	Very low	29.9	Very low	115 Å²	115	136.2 Å²	136.2	80%	0.804	75%	0.749	S	S	*	*			trans	-160.2	125.3	141.1	61.5	0	0	0	0	113.3
661	S	25	Very low	30.5	Very low	111 Å²	111	136.8 Å²	136.8	78%	0.776	76%	0.755	S	S	*	*			trans	-52.7	159.8	155.9	51.9	0	0	0	0	113.5
662	S	24	Very low	30.4	Very low	92 Å²	92	135.2 Å²	135.2	64%	0.643	75%	0.749	S	S	*	*				139	110.6	113.4	-173.1	0	0	0	0	117.4
663	W	25.7	Very low	31	Very low	220 Å²	220	134.9 Å²	134.9	83%	0.833	76%	0.755	S	S	*	*			trans	62.2	125.1	140	-69.5	63	0	0	0	122.4
664	L	28.4	Very low	30.7	Very low	134 Å²	134	129.6 Å²	129.6	70%	0.702	75%	0.75	S	S	*	*			trans	64.7	159.2	147.5	-58.2	-176.9	0	0	0	118.4
665	D	28.3	Very low	30.4	Very low	126 Å²	126	133.4 Å²	133.4	67%	0.674	76%	0.76	S	S	*	*			cis	-150.1	157.1	-2.3	-131.5	-24.1	0	0	0	114
666	D	27	Very low	30.2	Very low	76 Å²	76	137 Å²	137	41%	0.406	76%	0.763	S	S	.	*			trans	15.2	129.1	139.5	-174.3	34.6	0	0	0	122.4
667	R	25.9	Very low	30	Very low	214 Å²	214	138.1 Å²	138.1	81%	0.808	77%	0.771	S	S	*	*				173	117.2	114.6	-91.2	161.7	-154.6	-124.9	-14.8	120
668	F	28.8	Very low	29.2	Very low	168 Å²	168	138.1 Å²	138.1	74%	0.737	77%	0.774	S	S	*	*			trans	32.8	110.3	135.7	-70.7	-93.5	0	0	0	124.8
669	S	30.6	Very low	30.1	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	77%	0.772	S	S	*	*				69.1	149.4	108.9	-56	0	0	0	0	126.4
670	D	26.9	Very low	30.2	Very low	157 Å²	157	135.1 Å²	135.1	84%	0.84	77%	0.768	S	S	*	*			trans	77.8	159.4	150	-91.4	-8	0	0	0	120.9
671	P	50.4	Low	30.6	Very low	116 Å²	116	135 Å²	135	75%	0.753	77%	0.767	S	S	*	*			cis	-130.8	177.8	-5.9	37.9	-20.8	0	0	0	115.8
672	A	30.9	Very low	30.7	Very low	91 Å²	91	132.7 Å²	132.7	75%	0.752	76%	0.76	S	S	*	*			trans	-105.9	156.3	157.1	0	0	0	0	0	110.6
673	P	45.4	Very low	31	Very low	132 Å²	132	136.2 Å²	136.2	86%	0.857	77%	0.771	S	S	*	*				-150.6	170	94.9	38.4	-20.6	0	0	0	115.4
674	G	25.6	Very low	31.3	Very low	75 Å²	75	130.8 Å²	130.8	77%	0.773	77%	0.767	S	S	*	*			trans	-120	-173.3	179.2	0	0	0	0	0	115.2
675	R	25.8	Very low	31.2	Very low	253 Å²	253	127.6 Å²	127.6	96%	0.955	77%	0.766	S	S	*	*			trans	-155.9	160.3	168.8	-113.9	178.2	-168.9	-142.7	0.9	114
676	F	25.8	Very low	31.4	Very low	201 Å²	201	129.7 Å²	129.7	88%	0.882	78%	0.776	S	S	*	*			trans	-75.4	155.8	-179.1	-77.6	-113	0	0	0	114.2
677	S	25	Very low	31.3	Very low	121 Å²	121	130.6 Å²	130.6	85%	0.846	79%	0.789	S	S	*	*				-171.9	147.4	120.7	-78.6	0	0	0	0	113.3
678	S	32.9	Very low	31.5	Very low	120 Å²	120	125 Å²	125	84%	0.839	78%	0.783	S	S	*	*			trans	-134.4	148.4	160.6	-51.6	0	0	0	0	107.1
679	P	44.8	Very low	31.6	Very low	131 Å²	131	122.3 Å²	122.3	85%	0.851	78%	0.784	S	S	*	*				-144.2	-167.7	82.5	43.1	-25.5	0	0	0	111.5
680	A	31.1	Very low	31.5	Very low	84 Å²	84	123.5 Å²	123.5	69%	0.694	79%	0.787	S	S	*	*			cis	-151	175	9.8	0	0	0	0	0	113.4
681	S	34.9	Very low	31.6	Very low	114 Å²	114	124.6 Å²	124.6	80%	0.797	79%	0.789	S	S	*	*			trans	-29.2	156.4	165.2	51.1	0	0	0	0	118.9
682	G	26.7	Very low	30.5	Very low	61 Å²	61	125.2 Å²	125.2	63%	0.629	80%	0.797	S	S	*	*			cis	-168.6	157.4	8.1	0	0	0	0	0	113
683	L	31.1	Very low	30.3	Very low	166 Å²	166	125.6 Å²	125.6	87%	0.869	80%	0.8	S	S	*	*				75.4	136.5	95.2	-65.5	176.8	0	0	0	114.6
684	S	30.9	Very low	29.9	Very low	107 Å²	107	125.5 Å²	125.5	75%	0.748	80%	0.797	S	S	*	*			cis	-179	150	-16.2	47.3	0	0	0	0	110.2
685	G	27.2	Very low	30.1	Very low	66 Å²	66	127.3 Å²	127.3	68%	0.68	80%	0.798	S	S	*	*			trans	140.5	94.4	168.8	0	0	0	0	0	112.6
686	L	31	Very low	30.5	Very low	170 Å²	170	123.6 Å²	123.6	89%	0.89	79%	0.791	S	S	*	*				70.1	130.1	69.5	-61.6	173.6	0	0	0	112.8
687	S	25.7	Very low	30.6	Very low	95 Å²	95	119.7 Å²	119.7	66%	0.664	79%	0.789	S	S	*	*			cis	-166.3	159	-0.1	175.5	0	0	0	0	111.7
688	S	29.5	Very low	30.9	Very low	97 Å²	97	118.5 Å²	118.5	68%	0.678	79%	0.787	S	S	*	*			trans	57.5	133.2	148.2	47.9	0	0	0	0	120.8
689	S	30.5	Very low	30.9	Very low	111 Å²	111	121.5 Å²	121.5	78%	0.776	79%	0.792	S	S	*	*			cis	-154.4	140.1	-4.1	-85	0	0	0	0	113.6
690	V	29.3	Very low	30.1	Very low	125 Å²	125	120.6 Å²	120.6	76%	0.758	79%	0.789	S	S	*	*			trans	-36	141.9	149.1	-72.9	0	0	0	0	113.5
691	M	28.9	Very low	30.1	Very low	180 Å²	180	122.4 Å²	122.4	89%	0.887	79%	0.792	S	S	*	*				65.2	104.8	58.8	-61.9	-68.7	-175.4	0	0	113
692	S	27	Very low	30	Very low	129 Å²	129	125.8 Å²	125.8	90%	0.902	80%	0.795	S	S	*	*			trans	-102.1	117.9	177.5	-65.4	0	0	0	0	110.9
693	A	28.2	Very low	30.2	Very low	99 Å²	99	128.5 Å²	128.5	82%	0.818	80%	0.804	S	S	*	*			trans	-114.5	161.8	173.3	0	0	0	0	0	111.6
694	T	36.2	Very low	30	Very low	131 Å²	131	124.5 Å²	124.5	80%	0.804	80%	0.803	S	S	*	*			trans	-51.4	145.5	-177.9	47.8	0	0	0	0	116.3
695	S	29.8	Very low	30	Very low	113 Å²	113	128.7 Å²	128.7	79%	0.79	80%	0.804	S	S	*	*			trans	-156.9	125.9	155.8	-68.8	0	0	0	0	106.7
696	E	34.4	Very low	30.2	Very low	175 Å²	175	131.3 Å²	131.3	82%	0.818	81%	0.811	S	S	*	*			cis	59.8	59.6	17.4	-82.4	-59.7	124.6	0	0	113.8
697	S	27.9	Very low	30.3	Very low	119 Å²	119	127 Å²	127	83%	0.832	80%	0.796	S	S	*	*			trans	-179	88.1	152	-86.3	0	0	0	0	113
698	A	30.4	Very low	30.6	Very low	96 Å²	96	126.5 Å²	126.5	79%	0.793	81%	0.805	S	S	*	*			trans	-160.3	80.2	164.6	0	0	0	0	0	113.5
699	L	33	Very low	31	Very low	183 Å²	183	133.5 Å²	133.5	96%	0.958	82%	0.817	S	S	*	*			trans	-179.7	109.2	147.6	-102.7	165.7	0	0	0	111.1
700	S	28.6	Very low	31.4	Very low	111 Å²	111	134.2 Å²	134.2	78%	0.776	81%	0.812	S	S	*	*			trans	-154.9	99.8	166	-179.5	0	0	0	0	111.2
701	T	30.9	Very low	31.9	Very low	123 Å²	123	132.4 Å²	132.4	76%	0.755	82%	0.819	S	S	*	*			trans	178.1	135.5	131.7	21.8	0	0	0	0	111.2
702	Q	32.4	Very low	32.8	Very low	184 Å²	184	129.9 Å²	129.9	86%	0.86	80%	0.803	S	S	*	*			trans	64	132.9	165.7	-55.4	175.1	13.9	0	0	117.7
703	S	30.8	Very low	34.4	Very low	118 Å²	118	126 Å²	126	83%	0.825	78%	0.776	S	S	*	*			cis	-166.5	149.7	-16	45.3	0	0	0	0	110.4
704	G	28.5	Very low	36	Very low	82 Å²	82	122 Å²	122	85%	0.845	74%	0.742	S	S	*	*			trans	100.6	35.8	145	0	0	0	0	0	121.6
705	Y	29.4	Very low	37.2	Very low	196 Å²	196	119 Å²	119	77%	0.769	73%	0.727	S	S	*	*			trans	-155.7	125	149	-179.4	-102	0	0	0	110.8	S707	Y705-S707 PolarHBondContact OH-OG 3.27Å
706	S	30.9	Very low	39	Very low	120 Å²	120	117.7 Å²	117.7	84%	0.839	71%	0.71	S	S	*	*			trans	-112.3	106.3	-179.9	-63.9	0	0	0	0	111.1
707	S	34	Very low	40.8	Very low	81 Å²	81	114 Å²	114	57%	0.566	69%	0.692	S	S	*	*			trans	-146.5	126	154.9	-66.3	0	0	0	0	106.9	Y705	Y705-S707 PolarHBondContact OH-OG 3.27Å
708	G	32.1	Very low	43.3	Very low	83 Å²	83	109.2 Å²	109.2	86%	0.856	66%	0.657	S	S	*	*			trans	-70.3	134.5	-174.3	0	0	0	0	0	112.4
709	R	38	Very low	46	Very low	244 Å²	244	106.9 Å²	106.9	92%	0.921	63%	0.632	S	S	*	*			trans	-151.5	121.6	158.6	-109.8	-177	177.1	179.3	-0.3	107.5
710	D	38.3	Very low	48.7	Very low	126 Å²	126	101 Å²	101	67%	0.674	60%	0.601	S	S	*	*			trans	-66.3	151.3	-178	-57.6	-75.9	0	0	0	112.2	F712	D710-F712 HydrophobicContact CB-CD2 3.98Å; D710-F712 HydrophobicContact CB-CE2 3.69Å; D710-F712 HydrophobicContact CB-CZ 4.32Å; D710-F712 PolarHBondContact O-N 3.46Å
711	G	40.4	Very low	51.8	Low	88 Å²	88	95.7 Å²	95.7	91%	0.907	56%	0.564	S	S	*	*			trans	-74	39.1	-171.2	0	0	0	0	0	115.6
712	F	48.3	Very low	54.8	Low	126 Å²	126	92.3 Å²	92.3	55%	0.553	54%	0.541	S	S	*	.			trans	-55.7	157.3	172.5	-60.2	-75	0	0	0	111.3	R573 D710 D716	R573-F712 VanDerWaalsContact CZ-C 3.41Å; R573-F712 VanDerWaalsContact NH2-C 3.27Å; R573-F712 PolarHBondContact NH2-O 2.98Å; D710-F712 HydrophobicContact CB-CD2 3.98Å; D710-F712 HydrophobicContact CB-CE2 3.69Å; D710-F712 HydrophobicContact CB-CZ 4.32Å; D710-F712 PolarHBondContact O-N 3.46Å; F712-D716 WeakPolarHBondContact CA-OD2 3.43Å; F712-D716 WeakPolarHBondContact CB-OD2 3.4Å
713	S	61	Low	57.8	Low	49 Å²	49	86.1 Å²	86.1	34%	0.343	51%	0.514	S	S	.	.			trans	-105.2	160.9	-180	167.4	0	0	0	0	111.6	R573 S715 D716	R573-S713 PolarHBondContact NE-O 2.87Å; R573-S713 PolarHBondContact NH1-O 3.26Å; S713-S715 WeakPolarHBondContact CB-OG 3.5Å; S713-S715 PolarHBondContact O-N 2.79Å; S713-S715 PolarHBondContact OG-N 2.97Å; S713-S715 PolarHBondContact OG-OG 2.87Å; S713-D716 PolarHBondContact N-OD2 2.97Å; S713-D716 WeakPolarHBondContact O-CB 3.2Å; S713-D716 PolarHBondContact O-N 3.13Å; S713-D716 VanDerWaalsContact O-N 3.15Å
714	S	60.1	Low	60.9	Low	14 Å²	14	83.9 Å²	83.9	10%	0.098	50%	0.496	C	S	.	.	G	3₁₀ helix	trans	-60.3	-25.5	169.3	51.1	0	0	0	0	112.9	Y570 E577 D716	Y570-S714 WeakPolarHBondContact CD2-O 3.39Å; Y570-S714 WeakPolarHBondContact CE2-O 3.15Å; E577-S714 WeakPolarHBondContact OE1-CB 3.4Å; E577-S714 PolarHBondContact OE1-N 3.27Å; E577-S714 PolarHBondContact OE1-OG 2.67Å; E577-S714 VanDerWaalsContact OE2-CB 3.23Å; E577-S714 WeakPolarHBondContact OE2-CB 3.26Å; E577-S714 PolarHBondContact OE2-OG 3.35Å; S714-D716 PolarHBondContact O-N 2.96Å; S714-D716 VanDerWaalsContact O-N 3.13Å
715	S	62.8	Low	64.1	Low	69 Å²	69	88.1 Å²	88.1	48%	0.483	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-53.3	-31.5	171.3	44.3	0	0	0	0	114.1	S713 F717 V718	S713-S715 WeakPolarHBondContact CB-OG 3.5Å; S713-S715 PolarHBondContact O-N 2.79Å; S713-S715 PolarHBondContact OG-N 2.97Å; S713-S715 PolarHBondContact OG-OG 2.87Å; S715-F717 VanDerWaalsContact C-N 3.33Å; S715-F717 PolarHBondContact O-N 3.01Å; S715-V718 PolarHBondContact O-N 3.01Å
716	D	66.9	Low	67.2	Low	84 Å²	84	79.5 Å²	79.5	45%	0.449	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-83.9	-14.3	-161.3	-46.6	-10.6	0	0	0	112.4	F712 S713 S714	F712-D716 WeakPolarHBondContact CA-OD2 3.43Å; F712-D716 WeakPolarHBondContact CB-OD2 3.4Å; S713-D716 PolarHBondContact N-OD2 2.97Å; S713-D716 WeakPolarHBondContact O-CB 3.2Å; S713-D716 PolarHBondContact O-N 3.13Å; S713-D716 VanDerWaalsContact O-N 3.15Å; S714-D716 PolarHBondContact O-N 2.96Å; S714-D716 VanDerWaalsContact O-N 3.13Å
717	F	72.1	Confident	70.2	Confident	99 Å²	99	74.1 Å²	74.1	43%	0.434	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-98.8	0.6	173.6	-68	-56.1	0	0	0	113.3	V569 S715 L719	V569-F717 HydrophobicContact CG1-CD2 4.45Å; V569-F717 HydrophobicContact CG1-CE2 4.47Å; S715-F717 VanDerWaalsContact C-N 3.33Å; S715-F717 PolarHBondContact O-N 3.01Å; F717-L719 PolarHBondContact O-N 3.39Å
718	V	80.3	Confident	73	Confident	17 Å²	17	76.9 Å²	76.9	10%	0.103	43%	0.433	C	S	.	.	S	Bend	trans	-80.1	117.9	172.6	-171	0	0	0	0	108.8	W518 Y570 S715 N720	W518-V718 HydrophobicContact CH2-CG1 4.45Å; W518-V718 HydrophobicContact CZ2-CG1 3.83Å; Y570-V718 HydrophobicContact CD2-CG2 3.53Å; Y570-V718 HydrophobicContact CE2-CG2 3.24Å; Y570-V718 HydrophobicContact CG-CG2 4.32Å; S715-V718 PolarHBondContact O-N 3.01Å; V718-N720 PolarHBondContact O-N 3.45Å
719	L	86.3	Confident	76	Confident	48 Å²	48	80.4 Å²	80.4	25%	0.251	42%	0.42	S	S	.	.			trans	-50.3	124.8	172.4	-73.5	171.8	0	0	0	110.3	F717 P721 R729 L730	F717-L719 PolarHBondContact O-N 3.39Å; L719-P721 VanDerWaalsContact O-CD 3.26Å; L719-P721 WeakPolarHBondContact O-CD 3.36Å; L719-R729 HydrophobicContact CD1-CB 3.99Å; L719-R729 WeakPolarHBondContact CD1-O 3.26Å; L719-R729 HydrophobicContact CD2-CB 4.33Å; L719-L730 HydrophobicContact CB-CD2 4.33Å
720	N	90.9	Very high	78.8	Confident	59 Å²	59	68.9 Å²	68.9	32%	0.316	38%	0.376	S	S	.	.			trans	-91.3	108.8	-174.7	-179.7	16.3	0	0	0	110.1	W518 V718 L722 D723 N726	W518-N720 WeakPolarHBondContact CZ3-OD1 3.49Å; V718-N720 PolarHBondContact O-N 3.45Å; N720-L722 PolarHBondContact O-N 3.32Å; N720-L722 VanDerWaalsContact OD1-CB 3.3Å; N720-L722 WeakPolarHBondContact OD1-CB 3.3Å; N720-L722 WeakPolarHBondContact OD1-CG 3.3Å; N720-L722 PolarHBondContact OD1-N 2.88Å; N720-L722 VanDerWaalsContact OD1-N 3.07Å; N720-D723 HydrophobicContact CB-CB 4.46Å; N720-D723 PolarHBondContact O-N 2.75Å; N720-N726 PolarHBondContact O-ND2 3.07Å
721	P	93.1	Very high	81.6	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-9.4	177.5	32.4	-38	0	0	0	113.5	W518 L527 P528 C531 L564 L719 D723 L730	W518-P721 HydrophobicContact CB-CG 3.94Å; W518-P721 HydrophobicContact CD2-CG 3.49Å; W518-P721 VanDerWaalsContact CD2-CG 3.49Å; W518-P721 HydrophobicContact CE3-CG 3.82Å; W518-P721 HydrophobicContact CG-CG 3.54Å; W518-P721 HydrophobicContact CZ3-CG 4.46Å; L527-P721 HydrophobicContact CD2-CB 4.09Å; L527-P721 HydrophobicContact CD2-CG 4.48Å; P528-P721 WeakPolarHBondContact CD-O 3.29Å; C531-P721 PolarHBondContact SG-O 2.78Å; L564-P721 HydrophobicContact CD1-CG 4.34Å; L719-P721 VanDerWaalsContact O-CD 3.26Å; L719-P721 WeakPolarHBondContact O-CD 3.36Å; P721-D723 VanDerWaalsContact C-N 3.28Å; P721-L730 HydrophobicContact CB-CD1 3.8Å; P721-L730 HydrophobicContact CB-CD2 4.02Å
722	L	94.4	Very high	84.4	Confident	52 Å²	52	64.6 Å²	64.6	27%	0.272	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-12.2	172.8	-51.6	179.2	0	0	0	112.8	W518 K521 L527 P528 N720	W518-L722 HydrophobicContact CE3-CD1 4.24Å; W518-L722 HydrophobicContact CE3-CG 4.13Å; K521-L722 HydrophobicContact CB-CD1 4.05Å; L527-L722 HydrophobicContact CD1-CD2 4.4Å; L527-L722 HydrophobicContact CG-CD2 4.09Å; P528-L722 WeakPolarHBondContact CG-O 3.44Å; N720-L722 PolarHBondContact O-N 3.32Å; N720-L722 VanDerWaalsContact OD1-CB 3.3Å; N720-L722 WeakPolarHBondContact OD1-CB 3.3Å; N720-L722 WeakPolarHBondContact OD1-CG 3.3Å; N720-L722 PolarHBondContact OD1-N 2.88Å; N720-L722 VanDerWaalsContact OD1-N 3.07Å
723	D	95.4	Very high	86.8	Confident	54 Å²	54	59 Å²	59	29%	0.289	30%	0.299	S	S	.	.	S	Bend	trans	-97.4	115.9	173.2	167.6	15.5	0	0	0	109.4	N720 P721 Q725 N726	N720-D723 HydrophobicContact CB-CB 4.46Å; N720-D723 PolarHBondContact O-N 2.75Å; P721-D723 VanDerWaalsContact C-N 3.28Å; D723-Q725 PolarHBondContact O-N 3.34Å; D723-Q725 VanDerWaalsContact O-N 3.12Å; D723-Q725 WeakPolarHBondContact OD1-CB 3.45Å; D723-Q725 PolarHBondContact OD1-N 2.85Å; D723-N726 WeakPolarHBondContact CB-ND2 3.48Å; D723-N726 PolarHBondContact O-N 2.92Å; D723-N726 VanDerWaalsContact O-N 3.14Å; D723-N726 PolarHBondContact OD2-ND2 2.89Å
724	P	95.4	Very high	88.6	Confident	70 Å²	70	56.8 Å²	56.8	46%	0.455	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-55.2	-28.8	-179.7	-22.1	30.2	0	0	0	114.1	P528 V530 N726 A727	P528-P724 HydrophobicContact CB-CB 4.26Å; P528-P724 HydrophobicContact CB-CG 3.89Å; P528-P724 HydrophobicContact CG-CG 3.93Å; V530-P724 HydrophobicContact CG2-CB 3.89Å; P724-N726 PolarHBondContact O-N 3.29Å; P724-A727 WeakPolarHBondContact O-CB 3.31Å; P724-A727 PolarHBondContact O-N 3.26Å
725	Q	95.6	Very high	90.3	Very high	171 Å²	171	56.2 Å²	56.2	80%	0.799	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-70	-17.2	-176.5	-57.4	-175.3	28.9	0	0	112.9	D723 A727	D723-Q725 PolarHBondContact O-N 3.34Å; D723-Q725 VanDerWaalsContact O-N 3.12Å; D723-Q725 WeakPolarHBondContact OD1-CB 3.45Å; D723-Q725 PolarHBondContact OD1-N 2.85Å; Q725-A727 VanDerWaalsContact C-N 3.35Å
726	N	94.4	Very high	91.8	Very high	16 Å²	16	53.5 Å²	53.5	9%	0.086	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-84.9	-5.5	176.5	-66.8	-58.1	0	0	0	113.5	N720 D723 P724 D728 R729 L730	N720-N726 PolarHBondContact O-ND2 3.07Å; D723-N726 WeakPolarHBondContact CB-ND2 3.48Å; D723-N726 PolarHBondContact O-N 2.92Å; D723-N726 VanDerWaalsContact O-N 3.14Å; D723-N726 PolarHBondContact OD2-ND2 2.89Å; P724-N726 PolarHBondContact O-N 3.29Å; N726-D728 PolarHBondContact O-N 3.09Å; N726-R729 CarbonylContact O-C 3.57Å; N726-R729 WeakPolarHBondContact O-CA 3.33Å; N726-R729 WeakPolarHBondContact O-CB 3.44Å; N726-R729 PolarHBondContact O-N 2.87Å; N726-R729 PolarHBondContact OD1-NH1 2.87Å; N726-L730 HydrophobicContact CB-CD2 4.35Å; N726-L730 WeakPolarHBondContact O-CG 3.43Å; N726-L730 PolarHBondContact O-N 3.28Å
727	A	94.4	Very high	93.2	Very high	6 Å²	6	49.5 Å²	49.5	5%	0.05	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-48.1	-54.2	-169.8	0	0	0	0	0	113.8	V530 T534 P724 Q725 R729 L730	V530-A727 HydrophobicContact CB-CB 4.1Å; V530-A727 HydrophobicContact CG2-CB 3.99Å; T534-A727 VanDerWaalsContact CG2-O 3.26Å; T534-A727 WeakPolarHBondContact CG2-O 3.37Å; P724-A727 WeakPolarHBondContact O-CB 3.31Å; P724-A727 PolarHBondContact O-N 3.26Å; Q725-A727 VanDerWaalsContact C-N 3.35Å; A727-R729 PolarHBondContact O-N 3.46Å; A727-L730 WeakPolarHBondContact O-CB 3.2Å; A727-L730 PolarHBondContact O-N 3.11Å; A727-L730 VanDerWaalsContact O-N 3.11Å
728	D	93.6	Very high	94.2	Very high	140 Å²	140	45.6 Å²	45.6	75%	0.749	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-68	-17.7	-179.7	-64.4	-50.5	0	0	0	114.3	N726	N726-D728 PolarHBondContact O-N 3.09Å
729	R	94.3	Very high	94.9	Very high	157 Å²	157	46.9 Å²	46.9	59%	0.592	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-91.3	-14.7	176.9	-56.8	172	68.8	-154.2	5.2	111.9	L719 N726 A727 R731	L719-R729 HydrophobicContact CD1-CB 3.99Å; L719-R729 WeakPolarHBondContact CD1-O 3.26Å; L719-R729 HydrophobicContact CD2-CB 4.33Å; N726-R729 CarbonylContact O-C 3.57Å; N726-R729 WeakPolarHBondContact O-CA 3.33Å; N726-R729 WeakPolarHBondContact O-CB 3.44Å; N726-R729 PolarHBondContact O-N 2.87Å; N726-R729 PolarHBondContact OD1-NH1 2.87Å; A727-R729 PolarHBondContact O-N 3.46Å; R729-R731 PolarHBondContact O-N 3.33Å
730	L	95.9	Very high	95.5	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.221	C	C	.	.			trans	-66.9	117.3	177.4	-63.6	-176.3	0	0	0	110.2	C531 T534 I535 Q538 L564 L719 P721 N726 A727	C531-L730 HydrophobicContact CB-CD1 3.63Å; T534-L730 HydrophobicContact CG2-CB 4.49Å; I535-L730 HydrophobicContact CD1-CD1 4.31Å; I535-L730 HydrophobicContact CG1-CD1 4.39Å; Q538-L730 PolarHBondContact NE2-O 3.02Å; L564-L730 HydrophobicContact CD2-CD2 4.27Å; L719-L730 HydrophobicContact CB-CD2 4.33Å; P721-L730 HydrophobicContact CB-CD1 3.8Å; P721-L730 HydrophobicContact CB-CD2 4.02Å; N726-L730 HydrophobicContact CB-CD2 4.35Å; N726-L730 WeakPolarHBondContact O-CG 3.43Å; N726-L730 PolarHBondContact O-N 3.28Å; A727-L730 WeakPolarHBondContact O-CB 3.2Å; A727-L730 PolarHBondContact O-N 3.11Å; A727-L730 VanDerWaalsContact O-N 3.11Å
731	R	97.8	Very high	95.8	Very high	123 Å²	123	42 Å²	42	46%	0.464	21%	0.207	S	C	.	.			trans	-113.8	133.1	169.9	-64.8	-60.5	-56.9	-84.9	-4.3	109.1	Q538 L564 V565 R729	Q538-R731 VanDerWaalsContact OE1-CD 3.31Å; L564-R731 WeakPolarHBondContact CA-O 3.34Å; V565-R731 HydrophobicContact CB-CB 3.85Å; V565-R731 HydrophobicContact CG2-CB 3.8Å; V565-R731 PolarHBondContact N-O 3.13Å; R729-R731 PolarHBondContact O-N 3.33Å
732	V	98.4	Very high	96.1	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154.9	176.8	-70.9	0	0	0	0	111.2	L515 I535 Q538 I562 L563 L564	L515-V732 HydrophobicContact CD2-CG1 4.46Å; I535-V732 HydrophobicContact CG1-CG1 4.21Å; Q538-V732 HydrophobicContact CB-CG2 3.49Å; Q538-V732 VanDerWaalsContact CB-CG2 3.49Å; Q538-V732 HydrophobicContact CG-CG2 4.4Å; I562-V732 HydrophobicContact CG2-CB 3.82Å; I562-V732 HydrophobicContact CG2-CG1 4.04Å; I562-V732 HydrophobicContact CG2-CG2 4.25Å; L563-V732 CarbonylContact O-C 3.59Å; L563-V732 VanDerWaalsContact O-CA 3.25Å; L563-V732 WeakPolarHBondContact O-CA 3.45Å; L564-V732 HydrophobicContact CD2-CG1 3.79Å; L564-V732 HydrophobicContact CG-CG1 4.5Å
733	K	98.8	Very high	96.3	Very high	9 Å²	9	44.4 Å²	44.4	4%	0.039	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.7	167.3	-59.1	-161.4	179.8	-157.9	0	111.5	E485 T486 E509 L511 L563 V565	E485-K733 WeakPolarHBondContact O-CD 3.39Å; E485-K733 WeakPolarHBondContact O-CE 3.37Å; E485-K733 PolarHBondContact O-NZ 3.42Å; E485-K733 IonicContact OE2-NZ 2.59Å; E485-K733 PolarHBondContact OE2-NZ 2.83Å; T486-K733 CarbonylContact O-C 3.49Å; T486-K733 WeakPolarHBondContact O-CA 3.42Å; E509-K733 WeakPolarHBondContact OE1-CD 3.36Å; E509-K733 IonicContact OE1-NZ 3.2Å; E509-K733 PolarHBondContact OE1-NZ 3.3Å; E509-K733 VanDerWaalsContact OE2-CE 3.29Å; E509-K733 WeakPolarHBondContact OE2-CE 3.48Å; E509-K733 IonicContact OE2-NZ 2.77Å; E509-K733 PolarHBondContact OE2-NZ 3.39Å; L511-K733 HydrophobicContact CD1-CB 4.1Å; L511-K733 HydrophobicContact CD1-CD 4.41Å; L511-K733 HydrophobicContact CD2-CD 4.16Å; L511-K733 HydrophobicContact CD2-CG 4.27Å; L563-K733 PolarHBondContact N-O 3.29Å; L563-K733 PolarHBondContact O-N 3.11Å; V565-K733 HydrophobicContact CG2-CG 3.97Å
734	I	98.8	Very high	96.3	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	135.1	165.1	-54.6	177.6	0	0	0	108.6	T486 V488 V539 L543 L546 H554 I557 I562	T486-I734 PolarHBondContact O-N 2.87Å; V488-I734 PolarHBondContact N-O 3.26Å; V539-I734 HydrophobicContact CG1-CD1 4.39Å; L543-I734 HydrophobicContact CD2-CD1 4.12Å; L543-I734 HydrophobicContact CG-CD1 4.06Å; L546-I734 HydrophobicContact CD1-CD1 4.31Å; H554-I734 WeakPolarHBondContact NE2-CG2 3.4Å; I557-I734 HydrophobicContact CD1-CD1 4.31Å; I557-I734 HydrophobicContact CD1-CG2 3.94Å; I562-I734 HydrophobicContact CD1-CB 4.36Å; I562-I734 HydrophobicContact CD1-CG1 3.94Å; I562-I734 HydrophobicContact CD1-CG2 4.45Å
735	A	96.8	Very high	96.4	Very high	2 Å²	2	50.9 Å²	50.9	2%	0.017	24%	0.239	C	C	.	.			trans	-137.9	164.7	180	0	0	0	0	0	112.7	A5 V488 H554 N561 L563	A5-A735 HydrophobicContact CB-CB 4.08Å; V488-A735 HydrophobicContact CB-CB 4.3Å; V488-A735 HydrophobicContact CG1-CB 4.04Å; H554-A735 PolarHBondContact NE2-O 3.41Å; N561-A735 WeakPolarHBondContact CB-O 3.23Å; N561-A735 PolarHBondContact O-N 3.35Å; L563-A735 HydrophobicContact CD1-CB 3.71Å; L563-A735 HydrophobicContact CG-CB 3.9Å
736	D	93.7	Very high	96.4	Very high	11 Å²	11	45.1 Å²	45.1	6%	0.059	21%	0.212	C	C	.	.			trans	65.5	69.3	-178.3	-155	27.2	0	0	0	117.1	A5 V6 G7 K452 G738	A5-D736 HydrophobicContact CB-CB 3.9Å; V6-D736 VanDerWaalsContact C-OD2 3.28Å; V6-D736 WeakPolarHBondContact CA-OD2 3.28Å; V6-D736 PolarHBondContact N-OD2 3.36Å; G7-D736 PolarHBondContact N-OD2 2.93Å; K452-D736 IonicContact NZ-OD1 2.61Å; K452-D736 PolarHBondContact NZ-OD1 2.93Å; D736-G738 PolarHBondContact O-N 3.41Å
737	L	96.5	Very high	96.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	17.3	170.7	-77.2	71.5	0	0	0	113.2	L470 L471 V474 I487 L546 N739 A740	L470-L737 HydrophobicContact CB-CB 4.46Å; L470-L737 HydrophobicContact CB-CD2 4.18Å; L471-L737 HydrophobicContact CD2-CB 4.46Å; L471-L737 HydrophobicContact CD2-CD1 4.16Å; L471-L737 HydrophobicContact CD2-CD2 4.29Å; V474-L737 HydrophobicContact CG2-CD2 3.7Å; I487-L737 HydrophobicContact CG2-CD1 4.27Å; L546-L737 HydrophobicContact CD2-CD2 4.28Å; L737-N739 VanDerWaalsContact C-N 3.28Å; L737-N739 PolarHBondContact O-N 2.88Å; L737-A740 HydrophobicContact CB-CB 3.88Å; L737-A740 HydrophobicContact CG-CB 4.04Å; L737-A740 WeakPolarHBondContact O-CB 3.13Å; L737-A740 PolarHBondContact O-N 3.18Å
738	G	93.6	Very high	96.5	Very high	18 Å²	18	51.5 Å²	51.5	19%	0.186	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.8	178.3	0	0	0	0	0	114.4	T463 D736	T463-G738 WeakPolarHBondContact CG2-O 3.48Å; D736-G738 PolarHBondContact O-N 3.41Å
739	N	95.4	Very high	96.6	Very high	44 Å²	44	48.2 Å²	48.2	24%	0.235	22%	0.224	C	C	.	.	S	Bend	trans	-100	-6.5	172.2	-74.8	-25.2	0	0	0	113.1	T555 D556 L737	T555-N739 PolarHBondContact OG1-O 3.4Å; D556-N739 HydrophobicContact CB-CB 4.06Å; D556-N739 PolarHBondContact OD2-ND2 3.42Å; L737-N739 VanDerWaalsContact C-N 3.28Å; L737-N739 PolarHBondContact O-N 2.88Å
740	A	98.2	Very high	96.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.008	22%	0.22	C	C	.	.			trans	-71.3	152.8	-175.4	0	0	0	0	0	111.8	L470 I552 I553 H554 L737 F747	L470-A740 HydrophobicContact CD1-CB 4.14Å; L470-A740 VanDerWaalsContact CD1-O 3.3Å; L470-A740 WeakPolarHBondContact CD1-O 3.34Å; I552-A740 HydrophobicContact CG2-CB 4.03Å; I553-A740 CarbonylContact O-C 3.5Å; I553-A740 VanDerWaalsContact O-CA 3.27Å; I553-A740 WeakPolarHBondContact O-CA 3.25Å; I553-A740 VanDerWaalsContact O-CB 3.3Å; I553-A740 WeakPolarHBondContact O-CB 3.42Å; H554-A740 WeakPolarHBondContact O-CA 3.38Å; L737-A740 HydrophobicContact CB-CB 3.88Å; L737-A740 HydrophobicContact CG-CB 4.04Å; L737-A740 WeakPolarHBondContact O-CB 3.13Å; L737-A740 PolarHBondContact O-N 3.18Å; A740-F747 WeakPolarHBondContact O-CD2 3.28Å; A740-F747 VanDerWaalsContact O-CE2 3.28Å; A740-F747 WeakPolarHBondContact O-CE2 3.5Å
741	C	98.4	Very high	96.8	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.014	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	176.9	178.2	71.2	0	0	0	0	111.5	I552 I553 F747 Y767	I552-C741 CarbonylContact C-O 3.56Å; I552-C741 WeakPolarHBondContact CA-O 3.46Å; I553-C741 PolarHBondContact N-O 2.91Å; I553-C741 PolarHBondContact O-N 3.47Å; C741-F747 HydrophobicContact CB-CD2 3.8Å; C741-F747 HydrophobicContact CB-CE2 4.22Å; C741-F747 HydrophobicContact CB-CG 4.25Å; C741-Y767 PolarHBondContact SG-OH 3.01Å
742	W	98.5	Very high	96.8	Very high	45 Å²	45	40.2 Å²	40.2	17%	0.17	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	144.5	176.4	-55.7	86	0	0	0	110.2	L470 C473 C550 K551 I552 H744 K745 H746	L470-W742 HydrophobicContact CD2-CD2 4.02Å; L470-W742 HydrophobicContact CD2-CG 4.36Å; L470-W742 HydrophobicContact CD2-CZ2 3.92Å; C473-W742 HydrophobicContact CB-CH2 3.54Å; C473-W742 HydrophobicContact CB-CZ2 4.47Å; C473-W742 HydrophobicContact CB-CZ3 4.13Å; C473-W742 VanDerWaalsContact SG-CH2 3.58Å; C550-W742 WeakPolarHBondContact O-CZ3 3.34Å; K551-W742 WeakPolarHBondContact O-CA 3.46Å; I552-W742 HydrophobicContact CD1-CZ3 4.43Å; I552-W742 HydrophobicContact CG1-CD2 4.47Å; I552-W742 HydrophobicContact CG1-CE3 3.95Å; I552-W742 HydrophobicContact CG1-CZ3 4.08Å; W742-H744 AromaticContact CE3-CE1 3.86Å; W742-H744 AromaticContact CG-CE1 4Å; W742-H744 PolarHBondContact O-N 3.25Å; W742-H744 VanDerWaalsContact O-N 3.09Å; W742-K745 HydrophobicContact CB-CB 4.12Å; W742-K745 PolarHBondContact N-O 3.01Å; W742-K745 CarbonylContact O-C 3.57Å; W742-K745 PolarHBondContact O-N 3.35Å; W742-H746 PolarHBondContact O-CD2 2.78Å
743	V	97.8	Very high	96.8	Very high	58 Å²	58	41.4 Å²	41.4	35%	0.352	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-26	174.9	176.7	0	0	0	0	112.3	K551 I553 P769	K551-V743 HydrophobicContact CB-CB 4.43Å; K551-V743 HydrophobicContact CB-CG2 4.43Å; K551-V743 WeakPolarHBondContact O-CG2 3.32Å; K551-V743 PolarHBondContact O-N 3.29Å; I553-V743 HydrophobicContact CD1-CG2 4.11Å; I553-V743 HydrophobicContact CG1-CG2 3.64Å; V743-P769 HydrophobicContact CG2-CG 3.76Å
744	H	96.6	Very high	96.7	Very high	147 Å²	147	43.2 Å²	43.2	68%	0.681	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	3.1	177.2	66.4	-92	0	0	0	113.6	W742	W742-H744 AromaticContact CE3-CE1 3.86Å; W742-H744 AromaticContact CG-CE1 4Å; W742-H744 PolarHBondContact O-N 3.25Å; W742-H744 VanDerWaalsContact O-N 3.09Å
745	K	96.6	Very high	96.7	Very high	114 Å²	114	44.7 Å²	44.7	50%	0.496	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-159.9	91	-178.6	-170.3	-165.9	174.3	-168.9	0	111.3	W742 F747	W742-K745 HydrophobicContact CB-CB 4.12Å; W742-K745 PolarHBondContact N-O 3.01Å; W742-K745 CarbonylContact O-C 3.57Å; W742-K745 PolarHBondContact O-N 3.35Å; K745-F747 HydrophobicContact CD-CE1 4.22Å
746	H	97	Very high	96.8	Very high	49 Å²	49	44.8 Å²	44.8	23%	0.227	22%	0.223	C	C	.	.			trans	-69.4	151.8	169.6	-60.4	168.4	0	0	0	111.5	W742 E749 Y767	W742-H746 PolarHBondContact O-CD2 2.78Å; H746-E749 IonicContact ND1-OE1 2.71Å; H746-Y767 HydrophobicContact CB-CE1 4.32Å; H746-Y767 WeakPolarHBondContact CB-OH 3.32Å; H746-Y767 AromaticContact CD2-CE2 3.82Å; H746-Y767 AromaticContact CD2-CZ 3.68Å; H746-Y767 AromaticContact CE1-CE1 3.85Å; H746-Y767 AromaticContact CE1-CE2 3.8Å; H746-Y767 AromaticContact CE1-CZ 3.73Å; H746-Y767 PolarHBondContact CE1-O 3.5Å; H746-Y767 VanDerWaalsContact CE1-O 3.28Å; H746-Y767 AromaticContact CG-CE1 3.84Å; H746-Y767 AromaticContact CG-CZ 3.45Å; H746-Y767 VanDerWaalsContact CG-CZ 3.45Å; H746-Y767 VanDerWaalsContact CG-OH 3.24Å; H746-Y767 AromaticContact ND1-CD1 3.99Å; H746-Y767 AromaticContact ND1-CE1 3.43Å; H746-Y767 WeakPolarHBondContact ND1-CE1 3.48Å; H746-Y767 AromaticContact ND1-CZ 3.47Å; H746-Y767 AromaticContact NE2-CE2 3.68Å; H746-Y767 AromaticContact NE2-CZ 3.87Å
747	F	94.2	Very high	97.1	Very high	87 Å²	87	46.1 Å²	46.1	38%	0.382	23%	0.227	S	C	.	.	S	Bend	trans	-106.3	-27.3	176.3	-62.4	-41.3	0	0	0	113	D466 L470 A740 C741 K745	D466-F747 HydrophobicContact CB-CE2 4.33Å; D466-F747 HydrophobicContact CB-CZ 4.12Å; L470-F747 HydrophobicContact CD1-CE2 4.25Å; A740-F747 WeakPolarHBondContact O-CD2 3.28Å; A740-F747 VanDerWaalsContact O-CE2 3.28Å; A740-F747 WeakPolarHBondContact O-CE2 3.5Å; C741-F747 HydrophobicContact CB-CD2 3.8Å; C741-F747 HydrophobicContact CB-CE2 4.22Å; C741-F747 HydrophobicContact CB-CG 4.25Å; K745-F747 HydrophobicContact CD-CE1 4.22Å
748	T	95.6	Very high	97.2	Very high	70 Å²	70	46.1 Å²	46.1	43%	0.429	23%	0.227	S	C	.	.			trans	-155.6	157	-180	178.5	0	0	0	0	108.8	D750 I751 Y767	T748-D750 WeakPolarHBondContact CG2-O 3.34Å; T748-D750 PolarHBondContact OG1-N 2.93Å; T748-D750 VanDerWaalsContact OG1-N 3.15Å; T748-D750 PolarHBondContact OG1-O 3.25Å; T748-I751 HydrophobicContact CG2-CG2 3.81Å; T748-Y767 WeakPolarHBondContact O-CE1 3.43Å; T748-Y767 PolarHBondContact O-OH 3.05Å; T748-Y767 VanDerWaalsContact O-OH 3.07Å
749	E	95.6	Very high	97.4	Very high	71 Å²	71	45.3 Å²	45.3	33%	0.332	22%	0.218	S	C	.	.	S	Bend	trans	-97.4	-16.1	172.4	-56.8	-71.8	115.2	0	0	111.8	H746 I751 R824	H746-E749 IonicContact ND1-OE1 2.71Å; E749-I751 PolarHBondContact O-N 2.88Å; E749-R824 IonicContact OE2-CZ 2.67Å; E749-R824 IonicContact OE2-NH1 3.75Å; E749-R824 PolarHBondContact OE2-NH1 3.16Å; E749-R824 IonicContact OE2-NH2 3.93Å; E749-R824 PolarHBondContact OE2-NH2 3.21Å
750	D	96.4	Very high	97.6	Very high	95 Å²	95	43.2 Å²	43.2	51%	0.508	21%	0.207	S	C	.	.			trans	-89.3	93.9	171	-176.1	27.3	0	0	0	108.5	T748 R757	T748-D750 WeakPolarHBondContact CG2-O 3.34Å; T748-D750 PolarHBondContact OG1-N 2.93Å; T748-D750 VanDerWaalsContact OG1-N 3.15Å; T748-D750 PolarHBondContact OG1-O 3.25Å; D750-R757 IonicContact OD1-CZ 2.82Å; D750-R757 IonicContact OD1-NH1 2.7Å; D750-R757 PolarHBondContact OD1-NH1 2.69Å; D750-R757 IonicContact OD1-NH2 3.8Å; D750-R757 PolarHBondContact OD1-NH2 2.53Å
751	I	98.1	Very high	97.6	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.041	21%	0.21	C	C	.	.			trans	-122	172.1	-180	61.4	161.4	0	0	0	111.7	T555 T748 E749 R757 V761 Y767	T555-I751 HydrophobicContact CG2-CD1 4.39Å; T555-I751 HydrophobicContact CG2-CG2 4.29Å; T748-I751 HydrophobicContact CG2-CG2 3.81Å; E749-I751 PolarHBondContact O-N 2.88Å; I751-R757 PolarHBondContact O-NE 3.31Å; I751-R757 PolarHBondContact O-NH2 3.27Å; I751-V761 HydrophobicContact CD1-CG2 3.81Å; I751-V761 HydrophobicContact CG1-CB 4.47Å; I751-V761 HydrophobicContact CG1-CG1 3.81Å; I751-V761 HydrophobicContact CG1-CG2 3.76Å; I751-Y767 HydrophobicContact CD1-CD1 4.07Å; I751-Y767 HydrophobicContact CD1-CD2 3.53Å; I751-Y767 HydrophobicContact CD1-CE1 4.18Å; I751-Y767 HydrophobicContact CD1-CE2 3.66Å; I751-Y767 HydrophobicContact CD1-CG 3.74Å; I751-Y767 HydrophobicContact CG2-CE1 4.47Å
752	Q	98.4	Very high	97.6	Very high	9 Å²	9	43.8 Å²	43.8	4%	0.042	21%	0.21	C	C	.	.	S	Bend	trans	63.4	133.4	178.9	-58.4	164.1	-53.8	0	0	115.6	T555 Y756 R757 V761 A771 S775	T555-Q752 WeakPolarHBondContact O-CA 3.45Å; T555-Q752 WeakPolarHBondContact O-CG 3.46Å; T555-Q752 PolarHBondContact O-N 3.41Å; Q752-Y756 PolarHBondContact NE2-O 2.84Å; Q752-R757 HydrophobicContact CB-CB 3.95Å; Q752-R757 HydrophobicContact CB-CG 4.17Å; Q752-R757 PolarHBondContact O-NE 2.97Å; Q752-R757 PolarHBondContact O-NH2 2.88Å; Q752-V761 VanDerWaalsContact OE1-CG2 3.31Å; Q752-A771 PolarHBondContact NE2-O 3.24Å; Q752-S775 PolarHBondContact NE2-OG 2.72Å
753	T	97.3	Very high	97.6	Very high	27 Å²	27	41.6 Å²	41.6	17%	0.166	20%	0.202	C	C	.	.			trans	-61.3	149	165.4	-63.7	0	0	0	0	110.9	D556 K558 Q755 Y756 R757	D556-T753 WeakPolarHBondContact OD1-CB 3.48Å; D556-T753 PolarHBondContact OD1-N 2.97Å; D556-T753 VanDerWaalsContact OD1-N 3.08Å; D556-T753 PolarHBondContact OD1-OG1 3.2Å; K558-T753 HydrophobicContact CD-CG2 4.12Å; K558-T753 WeakPolarHBondContact CD-OG1 3.26Å; K558-T753 PolarHBondContact NZ-OG1 2.94Å; T753-Q755 PolarHBondContact O-N 2.9Å; T753-Y756 HydrophobicContact CG2-CD2 3.89Å; T753-Y756 HydrophobicContact CG2-CE2 3.78Å; T753-Y756 PolarHBondContact O-N 3.07Å; T753-Y756 VanDerWaalsContact O-N 3.08Å; T753-R757 PolarHBondContact O-N 3.14Å
754	R	98.1	Very high	97.6	Very high	48 Å²	48	39 Å²	39	18%	0.181	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-53.8	-50	-156	-179.8	58.2	179.5	-165.4	13.8	115.3	Y756 R757 P792 R800 D801 H804	R754-Y756 PolarHBondContact O-N 3.31Å; R754-R757 WeakPolarHBondContact O-CB 3.33Å; R754-R757 PolarHBondContact O-N 3.26Å; R754-P792 HydrophobicContact CG-CG 4.23Å; R754-R800 PolarHBondContact NH2-O 3.36Å; R754-D801 IonicContact CZ-OD1 3.57Å; R754-D801 IonicContact NH1-OD1 3.16Å; R754-D801 PolarHBondContact NH1-OD1 3.43Å; R754-D801 VanDerWaalsContact NH2-CA 3.3Å; R754-D801 IonicContact NH2-OD1 3.97Å; R754-D801 PolarHBondContact NH2-OD1 3.14Å; R754-H804 PolarHBondContact O-CE1 3.31Å; R754-H804 VanDerWaalsContact O-CE1 3.23Å
755	Q	98.5	Very high	97.6	Very high	33 Å²	33	32.7 Å²	32.7	15%	0.154	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-75.1	-13.8	-173.4	-62.7	89.7	-25.7	0	0	113.3	T753 C778 Y788 F790	T753-Q755 PolarHBondContact O-N 2.9Å; Q755-C778 PolarHBondContact O-SG 2.59Å; Q755-C778 VanDerWaalsContact O-SG 3.34Å; Q755-Y788 HydrophobicContact CB-CD1 3.79Å; Q755-Y788 HydrophobicContact CB-CE1 4.32Å; Q755-Y788 HydrophobicContact CB-CG 4.02Å; Q755-Y788 HydrophobicContact CG-CD1 3.8Å; Q755-Y788 HydrophobicContact CG-CD2 3.88Å; Q755-Y788 HydrophobicContact CG-CE1 4.17Å; Q755-Y788 HydrophobicContact CG-CE2 4.23Å; Q755-Y788 HydrophobicContact CG-CG 3.66Å; Q755-F790 WeakPolarHBondContact CB-O 3.2Å; Q755-F790 VanDerWaalsContact CG-O 3.3Å; Q755-F790 WeakPolarHBondContact CG-O 3.42Å
756	Y	98.8	Very high	97.5	Very high	3 Å²	3	35 Å²	35	1%	0.012	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-108.1	4.8	-178.7	-39.2	-90.6	0	0	0	111.9	K558 P559 Q752 T753 R754 S775 C778 M779 E782	K558-Y756 HydrophobicContact CB-CD1 4.16Å; K558-Y756 HydrophobicContact CB-CD2 3.92Å; K558-Y756 HydrophobicContact CB-CE1 3.87Å; K558-Y756 HydrophobicContact CB-CE2 3.6Å; K558-Y756 HydrophobicContact CB-CG 4.18Å; K558-Y756 HydrophobicContact CD-CE2 4.25Å; P559-Y756 WeakPolarHBondContact CD-OH 3.4Å; Q752-Y756 PolarHBondContact NE2-O 2.84Å; T753-Y756 HydrophobicContact CG2-CD2 3.89Å; T753-Y756 HydrophobicContact CG2-CE2 3.78Å; T753-Y756 PolarHBondContact O-N 3.07Å; T753-Y756 VanDerWaalsContact O-N 3.08Å; R754-Y756 PolarHBondContact O-N 3.31Å; Y756-S775 PolarHBondContact O-OG 3.39Å; Y756-C778 HydrophobicContact CD1-CB 3.93Å; Y756-M779 HydrophobicContact CD1-CB 4.37Å; Y756-M779 HydrophobicContact CE1-CB 4.35Å; Y756-E782 VanDerWaalsContact CE1-OE2 3.27Å; Y756-E782 WeakPolarHBondContact CE1-OE2 3.22Å; Y756-E782 PolarHBondContact OH-OE2 2.67Å
757	R	98.8	Very high	97.6	Very high	40 Å²	40	33.2 Å²	33.2	15%	0.151	16%	0.164	C	C	.	.			trans	-77.5	126.8	-173.5	-174.8	173.8	-68.4	-153.6	-6.3	111.3	D750 I751 Q752 T753 R754 V761 L762 W774	D750-R757 IonicContact OD1-CZ 2.82Å; D750-R757 IonicContact OD1-NH1 2.7Å; D750-R757 PolarHBondContact OD1-NH1 2.69Å; D750-R757 IonicContact OD1-NH2 3.8Å; D750-R757 PolarHBondContact OD1-NH2 2.53Å; I751-R757 PolarHBondContact O-NE 3.31Å; I751-R757 PolarHBondContact O-NH2 3.27Å; Q752-R757 HydrophobicContact CB-CB 3.95Å; Q752-R757 HydrophobicContact CB-CG 4.17Å; Q752-R757 PolarHBondContact O-NE 2.97Å; Q752-R757 PolarHBondContact O-NH2 2.88Å; T753-R757 PolarHBondContact O-N 3.14Å; R754-R757 WeakPolarHBondContact O-CB 3.33Å; R754-R757 PolarHBondContact O-N 3.26Å; R757-V761 HydrophobicContact CG-CB 3.98Å; R757-V761 HydrophobicContact CG-CG1 3.91Å; R757-L762 HydrophobicContact CG-CD2 3.97Å; R757-L762 HydrophobicContact CG-CG 4.29Å; R757-W774 PolarHBondContact O-NE1 3.13Å
758	A	98.7	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.			trans	-77.6	154.3	-174.7	0	0	0	0	0	112.7	E760 V761 L762 A771 W774	A758-E760 VanDerWaalsContact C-N 3.32Å; A758-E760 VanDerWaalsContact CB-CD 3.46Å; A758-E760 HydrophobicContact CB-CG 4.34Å; A758-E760 WeakPolarHBondContact CB-OE1 3.4Å; A758-E760 WeakPolarHBondContact CB-OE2 3.45Å; A758-E760 PolarHBondContact O-N 2.87Å; A758-V761 WeakPolarHBondContact O-CB 3.42Å; A758-V761 PolarHBondContact O-N 2.93Å; A758-L762 PolarHBondContact O-N 3Å; A758-L762 VanDerWaalsContact O-N 3.16Å; A758-A771 HydrophobicContact CB-CB 4.39Å; A758-W774 VanDerWaalsContact CA-CD1 3.49Å; A758-W774 HydrophobicContact CB-CB 3.8Å; A758-W774 HydrophobicContact CB-CD2 4.08Å; A758-W774 HydrophobicContact CB-CG 3.62Å
759	L	98.5	Very high	98	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-41	-175	-179.3	58.9	0	0	0	112.7	V761 L762 I763 W774 I805 I808 L815 F819 M875	L759-V761 VanDerWaalsContact C-N 3.25Å; L759-V761 PolarHBondContact O-N 3Å; L759-L762 PolarHBondContact O-N 2.73Å; L759-L762 VanDerWaalsContact O-N 3.17Å; L759-I763 HydrophobicContact CD1-CG2 4.15Å; L759-I763 WeakPolarHBondContact O-CG1 3.3Å; L759-I763 PolarHBondContact O-N 3.4Å; L759-W774 HydrophobicContact CB-CH2 4.19Å; L759-W774 HydrophobicContact CB-CZ3 4.4Å; L759-I805 HydrophobicContact CD1-CG1 4.02Å; L759-I808 HydrophobicContact CB-CD1 4.39Å; L759-I808 HydrophobicContact CD1-CD1 4.12Å; L759-I808 HydrophobicContact CD2-CG2 4.3Å; L759-L815 HydrophobicContact CD1-CD2 4.2Å; L759-L815 HydrophobicContact CD2-CD1 4.27Å; L759-L815 HydrophobicContact CD2-CD2 3.8Å; L759-L815 HydrophobicContact CD2-CG 3.86Å; L759-L815 HydrophobicContact CG-CD2 4.42Å; L759-F819 HydrophobicContact CD2-CD1 4.37Å; L759-F819 HydrophobicContact CD2-CE1 3.82Å; L759-F819 HydrophobicContact CG-CE1 4.01Å; L759-M875 HydrophobicContact CD2-CB 4.06Å; L759-M875 HydrophobicContact CD2-CG 3.99Å; L759-M875 HydrophobicContact CD2-SD 4.34Å
760	E	98.6	Very high	98.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-56.5	-37.7	175.3	58.5	-85.8	-159.5	0	0	112.7	A758 G764 A765 F819 P877 R880	A758-E760 VanDerWaalsContact C-N 3.32Å; A758-E760 VanDerWaalsContact CB-CD 3.46Å; A758-E760 HydrophobicContact CB-CG 4.34Å; A758-E760 WeakPolarHBondContact CB-OE1 3.4Å; A758-E760 WeakPolarHBondContact CB-OE2 3.45Å; A758-E760 PolarHBondContact O-N 2.87Å; E760-G764 PolarHBondContact O-N 3.06Å; E760-A765 HydrophobicContact CB-CB 4.18Å; E760-A765 PolarHBondContact O-N 3.41Å; E760-F819 HydrophobicContact CB-CZ 4.06Å; E760-P877 HydrophobicContact CB-CG 3.94Å; E760-P877 HydrophobicContact CG-CG 4.01Å; E760-R880 IonicContact OE1-CZ 2.77Å; E760-R880 IonicContact OE1-NH1 3.08Å; E760-R880 PolarHBondContact OE1-NH1 3Å; E760-R880 IonicContact OE1-NH2 3.3Å; E760-R880 IonicContact OE2-CZ 2.86Å; E760-R880 IonicContact OE2-NH1 2.71Å; E760-R880 PolarHBondContact OE2-NH1 2.72Å; E760-R880 IonicContact OE2-NH2 2.64Å; E760-R880 PolarHBondContact OE2-NH2 3.38Å
761	V	98.6	Very high	98.2	Very high	11 Å²	11	21.4 Å²	21.4	7%	0.067	11%	0.11	C	C	.	.	H	α-helix	trans	-74.1	-37	179	-177.2	0	0	0	0	111	I751 Q752 R757 A758 L759 G764	I751-V761 HydrophobicContact CD1-CG2 3.81Å; I751-V761 HydrophobicContact CG1-CB 4.47Å; I751-V761 HydrophobicContact CG1-CG1 3.81Å; I751-V761 HydrophobicContact CG1-CG2 3.76Å; Q752-V761 VanDerWaalsContact OE1-CG2 3.31Å; R757-V761 HydrophobicContact CG-CB 3.98Å; R757-V761 HydrophobicContact CG-CG1 3.91Å; A758-V761 WeakPolarHBondContact O-CB 3.42Å; A758-V761 PolarHBondContact O-N 2.93Å; L759-V761 VanDerWaalsContact C-N 3.25Å; L759-V761 PolarHBondContact O-N 3Å; V761-G764 PolarHBondContact O-N 3.24Å
762	L	98.5	Very high	98.3	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-63.3	-47.9	175.5	-61.8	171.5	0	0	0	111.6	R757 A758 L759 G764 H804 I805 I808 Y829	R757-L762 HydrophobicContact CG-CD2 3.97Å; R757-L762 HydrophobicContact CG-CG 4.29Å; A758-L762 PolarHBondContact O-N 3Å; A758-L762 VanDerWaalsContact O-N 3.16Å; L759-L762 PolarHBondContact O-N 2.73Å; L759-L762 VanDerWaalsContact O-N 3.17Å; L762-G764 VanDerWaalsContact C-N 3.26Å; L762-G764 PolarHBondContact O-N 2.82Å; L762-H804 HydrophobicContact CD1-CB 4.01Å; L762-H804 WeakPolarHBondContact CD1-ND1 2.99Å; L762-H804 HydrophobicContact CD2-CB 4.47Å; L762-H804 WeakPolarHBondContact CD2-ND1 3.36Å; L762-I805 HydrophobicContact CB-CD1 4.4Å; L762-I805 HydrophobicContact CB-CG1 4.3Å; L762-I805 HydrophobicContact CD1-CG1 4.15Å; L762-I808 HydrophobicContact CD1-CD1 3.75Å; L762-Y829 WeakPolarHBondContact O-CE2 3.44Å
763	I	98	Very high	98.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-78.4	-11.7	179.8	70.6	176.3	0	0	0	112.9	L759 A765 I805 F819 G823 R824 Y825 F830	L759-I763 HydrophobicContact CD1-CG2 4.15Å; L759-I763 WeakPolarHBondContact O-CG1 3.3Å; L759-I763 PolarHBondContact O-N 3.4Å; I763-A765 HydrophobicContact CD1-CB 4.07Å; I763-A765 HydrophobicContact CG1-CB 3.95Å; I763-I805 HydrophobicContact CG2-CD1 4.06Å; I763-F819 HydrophobicContact CD1-CD1 4.3Å; I763-F819 HydrophobicContact CD1-CE1 3.95Å; I763-F819 HydrophobicContact CD1-CE2 4.25Å; I763-F819 HydrophobicContact CD1-CZ 3.92Å; I763-F819 WeakPolarHBondContact CD1-O 3.25Å; I763-G823 CarbonylContact O-C 3.56Å; I763-G823 VanDerWaalsContact O-CA 3.23Å; I763-G823 WeakPolarHBondContact O-CA 3.3Å; I763-R824 PolarHBondContact O-N 3.28Å; I763-R824 VanDerWaalsContact O-N 3.15Å; I763-Y825 PolarHBondContact O-N 3.43Å; I763-F830 HydrophobicContact CG2-CE2 3.91Å; I763-F830 HydrophobicContact CG2-CZ 4.48Å
764	G	97.9	Very high	98.4	Very high	2 Å²	2	19.3 Å²	19.3	2%	0.021	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	38.8	-177	0	0	0	0	0	113	E760 V761 L762 R824	E760-G764 PolarHBondContact O-N 3.06Å; V761-G764 PolarHBondContact O-N 3.24Å; L762-G764 VanDerWaalsContact C-N 3.26Å; L762-G764 PolarHBondContact O-N 2.82Å; G764-R824 WeakPolarHBondContact O-CG 3.5Å; G764-R824 PolarHBondContact O-N 3.17Å; G764-R824 PolarHBondContact O-NE 3.46Å
765	A	97	Very high	98.4	Very high	15 Å²	15	17 Å²	17	12%	0.124	9%	0.09	C	C	.	.			trans	-78.3	179.5	163.4	0	0	0	0	0	110.2	E760 I763 F819	E760-A765 HydrophobicContact CB-CB 4.18Å; E760-A765 PolarHBondContact O-N 3.41Å; I763-A765 HydrophobicContact CD1-CB 4.07Å; I763-A765 HydrophobicContact CG1-CB 3.95Å; A765-F819 HydrophobicContact CB-CE2 4.44Å
766	E	95.8	Very high	98.4	Very high	163 Å²	163	15.5 Å²	15.5	76%	0.762	8%	0.083	S	C	*	.			trans	-73.1	134.3	173.5	-171.7	162.2	-165.3	0	0	110
767	Y	98.3	Very high	98.4	Very high	12 Å²	12	15.3 Å²	15.3	5%	0.047	8%	0.082	C	C	.	.			trans	-105	160.5	178.9	76.1	-98	0	0	0	111.1	I553 T555 C741 H746 T748 I751	I553-Y767 HydrophobicContact CD1-CD2 4.05Å; I553-Y767 HydrophobicContact CD1-CE2 3.84Å; T555-Y767 HydrophobicContact CG2-CE2 4.41Å; C741-Y767 PolarHBondContact SG-OH 3.01Å; H746-Y767 HydrophobicContact CB-CE1 4.32Å; H746-Y767 WeakPolarHBondContact CB-OH 3.32Å; H746-Y767 AromaticContact CD2-CE2 3.82Å; H746-Y767 AromaticContact CD2-CZ 3.68Å; H746-Y767 AromaticContact CE1-CE1 3.85Å; H746-Y767 AromaticContact CE1-CE2 3.8Å; H746-Y767 AromaticContact CE1-CZ 3.73Å; H746-Y767 PolarHBondContact CE1-O 3.5Å; H746-Y767 VanDerWaalsContact CE1-O 3.28Å; H746-Y767 AromaticContact CG-CE1 3.84Å; H746-Y767 AromaticContact CG-CZ 3.45Å; H746-Y767 VanDerWaalsContact CG-CZ 3.45Å; H746-Y767 VanDerWaalsContact CG-OH 3.24Å; H746-Y767 AromaticContact ND1-CD1 3.99Å; H746-Y767 AromaticContact ND1-CE1 3.43Å; H746-Y767 WeakPolarHBondContact ND1-CE1 3.48Å; H746-Y767 AromaticContact ND1-CZ 3.47Å; H746-Y767 AromaticContact NE2-CE2 3.68Å; H746-Y767 AromaticContact NE2-CZ 3.87Å; T748-Y767 WeakPolarHBondContact O-CE1 3.43Å; T748-Y767 PolarHBondContact O-OH 3.05Å; T748-Y767 VanDerWaalsContact O-OH 3.07Å; I751-Y767 HydrophobicContact CD1-CD1 4.07Å; I751-Y767 HydrophobicContact CD1-CD2 3.53Å; I751-Y767 HydrophobicContact CD1-CE1 4.18Å; I751-Y767 HydrophobicContact CD1-CE2 3.66Å; I751-Y767 HydrophobicContact CD1-CG 3.74Å; I751-Y767 HydrophobicContact CG2-CE1 4.47Å
768	G	98.6	Very high	98.5	Very high	13 Å²	13	13.5 Å²	13.5	13%	0.134	8%	0.076	C	C	.	.			trans	-156.5	-164.4	178.9	0	0	0	0	0	112.1	P770 A771	G768-P770 VanDerWaalsContact C-N 3.25Å; G768-P770 VanDerWaalsContact O-N 3.14Å; G768-A771 VanDerWaalsContact O-CB 3.3Å; G768-A771 WeakPolarHBondContact O-CB 3.44Å; G768-A771 PolarHBondContact O-N 2.87Å
769	P	98.8	Very high	98.5	Very high	33 Å²	33	13.5 Å²	13.5	21%	0.214	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.8	-35.7	171.4	-28.8	36.4	0	0	0	116.2	H547 I553 V743 A771 D772	H547-P769 HydrophobicContact CB-CB 4.25Å; H547-P769 PolarHBondContact CE1-O 2.87Å; I553-P769 HydrophobicContact CG1-CG 4.33Å; V743-P769 HydrophobicContact CG2-CG 3.76Å; P769-A771 PolarHBondContact O-N 3.22Å; P769-A771 VanDerWaalsContact O-N 3.09Å; P769-D772 PolarHBondContact O-N 3.09Å; P769-D772 VanDerWaalsContact O-N 3.15Å
770	P	98.9	Very high	98.5	Very high	28 Å²	28	13.5 Å²	13.5	18%	0.182	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-19.4	175.5	-27.8	37.4	0	0	0	115.4	G768 I773 W774 P877 R880	G768-P770 VanDerWaalsContact C-N 3.25Å; G768-P770 VanDerWaalsContact O-N 3.14Å; P770-I773 WeakPolarHBondContact O-CB 3.43Å; P770-I773 PolarHBondContact O-N 2.68Å; P770-W774 PolarHBondContact O-N 2.97Å; P770-W774 VanDerWaalsContact O-N 3.15Å; P770-P877 HydrophobicContact CB-CB 4.03Å; P770-P877 HydrophobicContact CG-CB 4.19Å; P770-P877 VanDerWaalsContact CG-O 3.3Å; P770-P877 WeakPolarHBondContact CG-O 3.17Å; P770-R880 VanDerWaalsContact C-NH1 3.34Å; P770-R880 HydrophobicContact CB-CB 4.31Å; P770-R880 WeakPolarHBondContact O-CD 3.44Å; P770-R880 PolarHBondContact O-NH1 2.97Å
771	A	98.9	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.3	-38.7	176.5	0	0	0	0	0	111.7	Q752 A758 G768 P769 I773 W774 S775	Q752-A771 PolarHBondContact NE2-O 3.24Å; A758-A771 HydrophobicContact CB-CB 4.39Å; G768-A771 VanDerWaalsContact O-CB 3.3Å; G768-A771 WeakPolarHBondContact O-CB 3.44Å; G768-A771 PolarHBondContact O-N 2.87Å; P769-A771 PolarHBondContact O-N 3.22Å; P769-A771 VanDerWaalsContact O-N 3.09Å; A771-I773 VanDerWaalsContact C-N 3.29Å; A771-I773 PolarHBondContact O-N 2.64Å; A771-W774 PolarHBondContact O-N 2.82Å; A771-S775 PolarHBondContact O-N 3.3Å; A771-S775 VanDerWaalsContact O-N 3.09Å; A771-S775 PolarHBondContact O-OG 3.23Å
772	D	98.9	Very high	98.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.7	-32.5	175.7	-65.6	-30.7	0	0	0	111.6	L543 H547 I553 H554 T555 I557 P769 S775 T776	L543-D772 HydrophobicContact CD1-CB 4.02Å; L543-D772 HydrophobicContact CD2-CB 3.74Å; H547-D772 IonicContact CD2-OD2 2.75Å; H547-D772 IonicContact CE1-OD2 2.74Å; H547-D772 IonicContact NE2-OD2 2.75Å; H547-D772 PolarHBondContact NE2-OD2 3.09Å; I553-D772 WeakPolarHBondContact CG2-OD2 3.34Å; H554-D772 WeakPolarHBondContact CB-OD1 3.48Å; H554-D772 PolarHBondContact N-OD1 3.09Å; H554-D772 PolarHBondContact N-OD2 2.88Å; T555-D772 PolarHBondContact N-OD1 3.08Å; I557-D772 HydrophobicContact CG1-CB 4.27Å; P769-D772 PolarHBondContact O-N 3.09Å; P769-D772 VanDerWaalsContact O-N 3.15Å; D772-S775 PolarHBondContact O-N 3.27Å; D772-T776 WeakPolarHBondContact O-CB 3.24Å; D772-T776 PolarHBondContact O-N 2.69Å; D772-T776 PolarHBondContact O-OG1 2.92Å
773	I	98.9	Very high	98.5	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-66	-46.6	176.7	-55.1	-59.8	0	0	0	110.5	L540 L543 P770 A771 S775 T776 A777 M872 R880 A881 A883	L540-I773 HydrophobicContact CD2-CD1 4.26Å; L543-I773 HydrophobicContact CD1-CD1 4.32Å; P770-I773 WeakPolarHBondContact O-CB 3.43Å; P770-I773 PolarHBondContact O-N 2.68Å; A771-I773 VanDerWaalsContact C-N 3.29Å; A771-I773 PolarHBondContact O-N 2.64Å; I773-S775 PolarHBondContact O-N 3.06Å; I773-T776 CarbonylContact O-C 3.56Å; I773-T776 WeakPolarHBondContact O-CA 3.17Å; I773-T776 WeakPolarHBondContact O-CB 3.5Å; I773-T776 PolarHBondContact O-N 3.48Å; I773-T776 VanDerWaalsContact O-N 3.09Å; I773-A777 PolarHBondContact O-N 2.82Å; I773-M872 HydrophobicContact CG2-CB 3.78Å; I773-M872 HydrophobicContact CG2-CE 3.92Å; I773-M872 HydrophobicContact CG2-CG 3.93Å; I773-R880 HydrophobicContact CG2-CG 4.32Å; I773-A881 WeakPolarHBondContact CG2-O 3.49Å; I773-A883 HydrophobicContact CD1-CB 3.99Å
774	W	98.9	Very high	98.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-57.6	-47.7	174.2	179.3	-73.5	0	0	0	111.5	R757 A758 L759 P770 A771 T776 A777 C778 F790 I808 L812 L873	R757-W774 PolarHBondContact O-NE1 3.13Å; A758-W774 VanDerWaalsContact CA-CD1 3.49Å; A758-W774 HydrophobicContact CB-CB 3.8Å; A758-W774 HydrophobicContact CB-CD2 4.08Å; A758-W774 HydrophobicContact CB-CG 3.62Å; L759-W774 HydrophobicContact CB-CH2 4.19Å; L759-W774 HydrophobicContact CB-CZ3 4.4Å; P770-W774 PolarHBondContact O-N 2.97Å; P770-W774 VanDerWaalsContact O-N 3.15Å; A771-W774 PolarHBondContact O-N 2.82Å; W774-T776 PolarHBondContact O-N 2.85Å; W774-A777 WeakPolarHBondContact O-CB 3.34Å; W774-A777 PolarHBondContact O-N 3.29Å; W774-A777 VanDerWaalsContact O-N 3.08Å; W774-C778 PolarHBondContact O-N 3.08Å; W774-C778 VanDerWaalsContact O-N 3.09Å; W774-F790 HydrophobicContact CH2-CE2 4.46Å; W774-F790 HydrophobicContact CZ2-CD2 4.42Å; W774-F790 AromaticContact CZ2-CE2 3.58Å; W774-F790 HydrophobicContact CZ2-CE2 3.58Å; W774-F790 HydrophobicContact CZ2-CZ 4.11Å; W774-I808 HydrophobicContact CH2-CD1 4.02Å; W774-I808 HydrophobicContact CH2-CG1 4.1Å; W774-I808 HydrophobicContact CH2-CG2 3.94Å; W774-I808 HydrophobicContact CZ2-CD1 3.65Å; W774-I808 HydrophobicContact CZ2-CG1 3.87Å; W774-L812 HydrophobicContact CH2-CD1 4.05Å; W774-L812 HydrophobicContact CZ3-CD1 4.29Å; W774-L873 HydrophobicContact CD2-CD2 4.05Å; W774-L873 HydrophobicContact CE3-CD2 4.11Å; W774-L873 HydrophobicContact CH2-CD2 4.42Å; W774-L873 HydrophobicContact CZ2-CD2 4.37Å; W774-L873 HydrophobicContact CZ3-CD2 4.3Å; W774-L873 VanDerWaalsContact CZ3-O 3.26Å; W774-L873 WeakPolarHBondContact CZ3-O 3.41Å
775	S	98.9	Very high	98.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.7	-36.3	175.6	-60.7	0	0	0	0	112.5	Q752 Y756 A771 D772 I773 M779	Q752-S775 PolarHBondContact NE2-OG 2.72Å; Y756-S775 PolarHBondContact O-OG 3.39Å; A771-S775 PolarHBondContact O-N 3.3Å; A771-S775 VanDerWaalsContact O-N 3.09Å; A771-S775 PolarHBondContact O-OG 3.23Å; D772-S775 PolarHBondContact O-N 3.27Å; I773-S775 PolarHBondContact O-N 3.06Å; S775-M779 WeakPolarHBondContact O-CB 3.19Å; S775-M779 PolarHBondContact O-N 2.73Å
776	T	98.9	Very high	98.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-68.2	-33.6	175.5	-53.8	0	0	0	0	112	I536 V539 L540 L543 D772 I773 W774 M779 A780 M872	I536-T776 HydrophobicContact CD1-CG2 4.18Å; I536-T776 HydrophobicContact CG2-CG2 4.37Å; V539-T776 HydrophobicContact CG1-CG2 4.01Å; L540-T776 HydrophobicContact CD2-CG2 4.29Å; L543-T776 VanDerWaalsContact CD1-OG1 3.23Å; L543-T776 WeakPolarHBondContact CD1-OG1 3.42Å; D772-T776 WeakPolarHBondContact O-CB 3.24Å; D772-T776 PolarHBondContact O-N 2.69Å; D772-T776 PolarHBondContact O-OG1 2.92Å; I773-T776 CarbonylContact O-C 3.56Å; I773-T776 WeakPolarHBondContact O-CA 3.17Å; I773-T776 WeakPolarHBondContact O-CB 3.5Å; I773-T776 PolarHBondContact O-N 3.48Å; I773-T776 VanDerWaalsContact O-N 3.09Å; W774-T776 PolarHBondContact O-N 2.85Å; T776-M779 HydrophobicContact CG2-CE 4.32Å; T776-M779 PolarHBondContact O-N 3.24Å; T776-A780 VanDerWaalsContact O-CB 3.24Å; T776-A780 WeakPolarHBondContact O-CB 3.34Å; T776-A780 PolarHBondContact O-N 2.85Å; T776-M872 HydrophobicContact CG2-CE 3.81Å
777	A	98.9	Very high	98.7	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-67.5	-47.3	174.7	0	0	0	0	0	112.1	I773 W774 M779 A780 F781 L869 M872 L873	I773-A777 PolarHBondContact O-N 2.82Å; W774-A777 WeakPolarHBondContact O-CB 3.34Å; W774-A777 PolarHBondContact O-N 3.29Å; W774-A777 VanDerWaalsContact O-N 3.08Å; A777-M779 VanDerWaalsContact C-N 3.31Å; A777-M779 PolarHBondContact O-N 3.2Å; A777-A780 PolarHBondContact O-N 2.94Å; A777-F781 PolarHBondContact O-N 3.3Å; A777-L869 HydrophobicContact CB-CD2 4.14Å; A777-M872 HydrophobicContact CB-CB 3.72Å; A777-M872 HydrophobicContact CB-CE 4.26Å; A777-L873 HydrophobicContact CB-CD1 4.48Å; A777-L873 HydrophobicContact CB-CD2 3.74Å; A777-L873 HydrophobicContact CB-CG 3.8Å
778	C	98.9	Very high	98.8	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.014	7%	0.07	C	C	.	.	H	α-helix	trans	-56.3	-46.3	172.8	-67.5	0	0	0	0	111.5	Q755 Y756 W774 F781 E782 L789	Q755-C778 PolarHBondContact O-SG 2.59Å; Q755-C778 VanDerWaalsContact O-SG 3.34Å; Y756-C778 HydrophobicContact CD1-CB 3.93Å; W774-C778 PolarHBondContact O-N 3.08Å; W774-C778 VanDerWaalsContact O-N 3.09Å; C778-F781 PolarHBondContact O-N 2.85Å; C778-E782 PolarHBondContact O-N 2.8Å; C778-L789 HydrophobicContact CB-CB 4.47Å
779	M	98.9	Very high	98.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.1	-37.3	178.3	-179.2	177.2	67.3	0	0	112.7	I536 V539 I557 P559 I562 Y756 S775 T776 A777 E782 L783	I536-M779 HydrophobicContact CD1-CE 4.04Å; V539-M779 HydrophobicContact CB-CE 4.48Å; V539-M779 HydrophobicContact CG1-CE 3.97Å; V539-M779 HydrophobicContact CG2-CE 4.07Å; I557-M779 HydrophobicContact CG2-CE 3.65Å; I557-M779 HydrophobicContact CG2-SD 4.15Å; P559-M779 HydrophobicContact CG-CG 3.94Å; P559-M779 HydrophobicContact CG-SD 4.39Å; I562-M779 HydrophobicContact CD1-CE 4.44Å; I562-M779 HydrophobicContact CG1-CE 3.91Å; I562-M779 HydrophobicContact CG1-SD 3.72Å; Y756-M779 HydrophobicContact CD1-CB 4.37Å; Y756-M779 HydrophobicContact CE1-CB 4.35Å; S775-M779 WeakPolarHBondContact O-CB 3.19Å; S775-M779 PolarHBondContact O-N 2.73Å; T776-M779 HydrophobicContact CG2-CE 4.32Å; T776-M779 PolarHBondContact O-N 3.24Å; A777-M779 VanDerWaalsContact C-N 3.31Å; A777-M779 PolarHBondContact O-N 3.2Å; M779-E782 PolarHBondContact O-N 2.9Å; M779-L783 HydrophobicContact CG-CD1 3.84Å; M779-L783 HydrophobicContact CG-CG 4.25Å; M779-L783 WeakPolarHBondContact O-CB 3.4Å; M779-L783 WeakPolarHBondContact O-CG 3.41Å; M779-L783 PolarHBondContact O-N 2.89Å
780	A	98.9	Very high	98.7	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.6	-42.6	177.2	0	0	0	0	0	111.5	I536 T776 A777 A784 F865 L869	I536-A780 HydrophobicContact CD1-CB 3.69Å; I536-A780 HydrophobicContact CG1-CB 3.81Å; T776-A780 VanDerWaalsContact O-CB 3.24Å; T776-A780 WeakPolarHBondContact O-CB 3.34Å; T776-A780 PolarHBondContact O-N 2.85Å; A777-A780 PolarHBondContact O-N 2.94Å; A780-A784 WeakPolarHBondContact O-CB 3.32Å; A780-A784 PolarHBondContact O-N 3.37Å; A780-F865 HydrophobicContact CB-CE2 4.47Å; A780-F865 HydrophobicContact CB-CZ 4.49Å; A780-L869 HydrophobicContact CB-CD2 3.83Å
781	F	98.9	Very high	98.7	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.018	7%	0.073	C	C	.	.	H	α-helix	trans	-60.2	-52.4	173	-179.7	-90.7	0	0	0	111.4	A777 C778 L783 A784 T785 D787 L789 L847 V850 L851 Y855 L869	A777-F781 PolarHBondContact O-N 3.3Å; C778-F781 PolarHBondContact O-N 2.85Å; F781-L783 VanDerWaalsContact C-N 3.33Å; F781-L783 PolarHBondContact O-N 3.26Å; F781-A784 CarbonylContact O-C 3.53Å; F781-A784 WeakPolarHBondContact O-CA 3.49Å; F781-A784 PolarHBondContact O-N 3.03Å; F781-T785 HydrophobicContact CD1-CG2 4.34Å; F781-T785 HydrophobicContact CD2-CG2 4.18Å; F781-T785 HydrophobicContact CE1-CG2 4.14Å; F781-T785 HydrophobicContact CE2-CG2 3.97Å; F781-T785 HydrophobicContact CG-CG2 4.39Å; F781-T785 HydrophobicContact CZ-CG2 3.98Å; F781-T785 PolarHBondContact O-N 3.04Å; F781-T785 PolarHBondContact O-OG1 3.42Å; F781-D787 WeakPolarHBondContact CD1-O 3.27Å; F781-D787 WeakPolarHBondContact CE1-O 3.46Å; F781-L789 HydrophobicContact CB-CB 4.25Å; F781-L789 HydrophobicContact CB-CD1 4.46Å; F781-L789 HydrophobicContact CD1-CB 3.74Å; F781-L789 HydrophobicContact CD1-CD1 3.96Å; F781-L789 HydrophobicContact CD1-CG 4.45Å; F781-L789 HydrophobicContact CD2-CD1 3.82Å; F781-L789 HydrophobicContact CE1-CB 4.24Å; F781-L789 HydrophobicContact CE1-CD1 4.02Å; F781-L789 HydrophobicContact CE2-CD1 3.88Å; F781-L789 HydrophobicContact CG-CB 4.08Å; F781-L789 HydrophobicContact CG-CD1 3.84Å; F781-L789 HydrophobicContact CG-CG 4.45Å; F781-L789 HydrophobicContact CZ-CD1 3.95Å; F781-L847 HydrophobicContact CD2-CD1 3.92Å; F781-L847 HydrophobicContact CE2-CD1 3.79Å; F781-V850 HydrophobicContact CZ-CG1 4.42Å; F781-L851 HydrophobicContact CE2-CD2 4.11Å; F781-Y855 HydrophobicContact CE2-CE2 4.22Å; F781-Y855 AromaticContact CZ-CE2 3.67Å; F781-Y855 HydrophobicContact CZ-CE2 3.67Å; F781-Y855 AromaticContact CZ-CZ 3.9Å; F781-Y855 WeakPolarHBondContact CZ-OH 3.3Å; F781-L869 HydrophobicContact CB-CD1 4.21Å; F781-L869 HydrophobicContact CD2-CD1 4.46Å
782	E	98.8	Very high	98.6	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.019	8%	0.076	C	C	.	.	H	α-helix	trans	-60.2	-39.5	179.9	-173.5	-167.3	152.3	0	0	112.7	I519 Y756 C778 M779 A784 G786 D787 Y788	I519-E782 HydrophobicContact CD1-CG 4.2Å; I519-E782 WeakPolarHBondContact CD1-OE1 3.42Å; Y756-E782 VanDerWaalsContact CE1-OE2 3.27Å; Y756-E782 WeakPolarHBondContact CE1-OE2 3.22Å; Y756-E782 PolarHBondContact OH-OE2 2.67Å; C778-E782 PolarHBondContact O-N 2.8Å; M779-E782 PolarHBondContact O-N 2.9Å; E782-A784 PolarHBondContact O-N 2.99Å; E782-G786 VanDerWaalsContact O-CA 3.25Å; E782-G786 WeakPolarHBondContact O-CA 3.19Å; E782-G786 PolarHBondContact O-N 3.3Å; E782-D787 VanDerWaalsContact CA-O 3.29Å; E782-D787 WeakPolarHBondContact CA-O 3.25Å; E782-Y788 HydrophobicContact CG-CD1 4.3Å; E782-Y788 WeakPolarHBondContact OE2-CD1 3.37Å
783	L	98.8	Very high	98.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.4	-24.4	174.1	-73.7	169.2	0	0	0	112.8	L515 I519 G526 L527 V532 I535 I536 M779 F781	L515-L783 HydrophobicContact CB-CD2 4.08Å; L515-L783 HydrophobicContact CD1-CD1 3.94Å; L515-L783 HydrophobicContact CD1-CD2 3.98Å; I519-L783 HydrophobicContact CD1-CD2 3.93Å; I519-L783 HydrophobicContact CG1-CD2 4.08Å; G526-L783 CarbonylContact C-O 3.12Å; L527-L783 WeakPolarHBondContact CB-O 3.49Å; L527-L783 HydrophobicContact CD1-CD2 4.3Å; L527-L783 HydrophobicContact CD2-CD2 4.25Å; L527-L783 PolarHBondContact N-O 3.49Å; V532-L783 HydrophobicContact CG1-CB 3.99Å; V532-L783 HydrophobicContact CG2-CB 4.17Å; V532-L783 WeakPolarHBondContact CG2-O 3.45Å; I535-L783 HydrophobicContact CG2-CD1 4Å; I536-L783 HydrophobicContact CD1-CD1 4.11Å; M779-L783 HydrophobicContact CG-CD1 3.84Å; M779-L783 HydrophobicContact CG-CG 4.25Å; M779-L783 WeakPolarHBondContact O-CB 3.4Å; M779-L783 WeakPolarHBondContact O-CG 3.41Å; M779-L783 PolarHBondContact O-N 2.89Å; F781-L783 VanDerWaalsContact C-N 3.33Å; F781-L783 PolarHBondContact O-N 3.26Å
784	A	98.7	Very high	98.4	Very high	11 Å²	11	23.8 Å²	23.8	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-95.6	-28	-179.5	0	0	0	0	0	114	L529 V532 A780 F781 E782 W857 F865	L529-A784 HydrophobicContact CD1-CB 4.17Å; V532-A784 HydrophobicContact CG1-CB 4.44Å; V532-A784 HydrophobicContact CG2-CB 4.35Å; A780-A784 WeakPolarHBondContact O-CB 3.32Å; A780-A784 PolarHBondContact O-N 3.37Å; F781-A784 CarbonylContact O-C 3.53Å; F781-A784 WeakPolarHBondContact O-CA 3.49Å; F781-A784 PolarHBondContact O-N 3.03Å; E782-A784 PolarHBondContact O-N 2.99Å; A784-W857 HydrophobicContact CB-CH2 3.81Å; A784-W857 HydrophobicContact CB-CZ2 3.82Å; A784-F865 HydrophobicContact CB-CE1 3.81Å; A784-F865 HydrophobicContact CB-CZ 3.81Å
785	T	98.6	Very high	98.2	Very high	11 Å²	11	25.2 Å²	25.2	7%	0.067	14%	0.137	C	C	.	.	H	α-helix	trans	-109.6	-27.6	-176.6	63.3	0	0	0	0	113.8	F781 D787 L851 Y855	F781-T785 HydrophobicContact CD1-CG2 4.34Å; F781-T785 HydrophobicContact CD2-CG2 4.18Å; F781-T785 HydrophobicContact CE1-CG2 4.14Å; F781-T785 HydrophobicContact CE2-CG2 3.97Å; F781-T785 HydrophobicContact CG-CG2 4.39Å; F781-T785 HydrophobicContact CZ-CG2 3.98Å; F781-T785 PolarHBondContact O-N 3.04Å; F781-T785 PolarHBondContact O-OG1 3.42Å; T785-D787 VanDerWaalsContact C-N 3.31Å; T785-D787 PolarHBondContact OG1-N 3.44Å; T785-D787 VanDerWaalsContact OG1-N 3.17Å; T785-D787 PolarHBondContact OG1-O 3.15Å; T785-L851 HydrophobicContact CG2-CD2 4.17Å; T785-Y855 HydrophobicContact CG2-CD1 4.21Å; T785-Y855 HydrophobicContact CG2-CD2 4.12Å; T785-Y855 HydrophobicContact CG2-CE1 4.05Å; T785-Y855 HydrophobicContact CG2-CE2 3.92Å; T785-Y855 HydrophobicContact CG2-CG 4.23Å
786	G	97.6	Very high	98	Very high	4 Å²	4	34.6 Å²	34.6	4%	0.041	18%	0.181	C	C	.	.	S	Bend	trans	87.5	-10.5	-169.2	0	0	0	0	0	115	E782	E782-G786 VanDerWaalsContact O-CA 3.25Å; E782-G786 WeakPolarHBondContact O-CA 3.19Å; E782-G786 PolarHBondContact O-N 3.3Å
787	D	98.3	Very high	97.8	Very high	67 Å²	67	40.9 Å²	40.9	36%	0.358	22%	0.215	S	C	.	.	S	Bend	trans	-107	146.3	-177.6	-87	-18.5	0	0	0	111.6	F781 E782 T785 K854 Y855	F781-D787 WeakPolarHBondContact CD1-O 3.27Å; F781-D787 WeakPolarHBondContact CE1-O 3.46Å; E782-D787 VanDerWaalsContact CA-O 3.29Å; E782-D787 WeakPolarHBondContact CA-O 3.25Å; T785-D787 VanDerWaalsContact C-N 3.31Å; T785-D787 PolarHBondContact OG1-N 3.44Å; T785-D787 VanDerWaalsContact OG1-N 3.17Å; T785-D787 PolarHBondContact OG1-O 3.15Å; D787-K854 IonicContact OD2-NZ 3.58Å; D787-K854 PolarHBondContact OD2-NZ 2.72Å; D787-Y855 HydrophobicContact CB-CE1 4.44Å; D787-Y855 WeakPolarHBondContact CB-OH 3.3Å; D787-Y855 PolarHBondContact OD2-OH 2.94Å
788	Y	98.7	Very high	97.7	Very high	83 Å²	83	44.7 Å²	44.7	33%	0.325	23%	0.23	S	C	.	.			trans	-63	137.9	169.4	-61.1	-58.4	0	0	0	111.5	Q755 E782 F790 E791	Q755-Y788 HydrophobicContact CB-CD1 3.79Å; Q755-Y788 HydrophobicContact CB-CE1 4.32Å; Q755-Y788 HydrophobicContact CB-CG 4.02Å; Q755-Y788 HydrophobicContact CG-CD1 3.8Å; Q755-Y788 HydrophobicContact CG-CD2 3.88Å; Q755-Y788 HydrophobicContact CG-CE1 4.17Å; Q755-Y788 HydrophobicContact CG-CE2 4.23Å; Q755-Y788 HydrophobicContact CG-CG 3.66Å; E782-Y788 HydrophobicContact CG-CD1 4.3Å; E782-Y788 WeakPolarHBondContact OE2-CD1 3.37Å; Y788-F790 VanDerWaalsContact C-N 3.29Å; Y788-F790 PolarHBondContact O-N 2.7Å; Y788-E791 HydrophobicContact CD2-CB 4.45Å; Y788-E791 HydrophobicContact CD2-CG 4.31Å
789	L	98.7	Very high	97.6	Very high	22 Å²	22	47.6 Å²	47.6	12%	0.115	25%	0.248	C	C	.	.	S	Bend	trans	-63	-36.5	173.2	-176.1	60.2	0	0	0	112.2	C778 F781 L811 L847 L873	C778-L789 HydrophobicContact CB-CB 4.47Å; F781-L789 HydrophobicContact CB-CB 4.25Å; F781-L789 HydrophobicContact CB-CD1 4.46Å; F781-L789 HydrophobicContact CD1-CB 3.74Å; F781-L789 HydrophobicContact CD1-CD1 3.96Å; F781-L789 HydrophobicContact CD1-CG 4.45Å; F781-L789 HydrophobicContact CD2-CD1 3.82Å; F781-L789 HydrophobicContact CE1-CB 4.24Å; F781-L789 HydrophobicContact CE1-CD1 4.02Å; F781-L789 HydrophobicContact CE2-CD1 3.88Å; F781-L789 HydrophobicContact CG-CB 4.08Å; F781-L789 HydrophobicContact CG-CD1 3.84Å; F781-L789 HydrophobicContact CG-CG 4.45Å; F781-L789 HydrophobicContact CZ-CD1 3.95Å; L789-L811 HydrophobicContact CD1-CD2 3.79Å; L789-L811 HydrophobicContact CD2-CD2 4.26Å; L789-L811 HydrophobicContact CG-CD2 4.18Å; L789-L847 HydrophobicContact CD1-CD1 4.2Å; L789-L873 HydrophobicContact CD2-CD1 3.83Å; L789-L873 HydrophobicContact CD2-CD2 4.06Å
790	F	98.6	Very high	97.6	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.013	27%	0.268	C	S	.	.			trans	-135.3	111.3	177.8	-53.5	-62.2	0	0	0	110.9	Q755 W774 Y788 P792 H804 H807 I808 L811 L873	Q755-F790 WeakPolarHBondContact CB-O 3.2Å; Q755-F790 VanDerWaalsContact CG-O 3.3Å; Q755-F790 WeakPolarHBondContact CG-O 3.42Å; W774-F790 HydrophobicContact CH2-CE2 4.46Å; W774-F790 HydrophobicContact CZ2-CD2 4.42Å; W774-F790 AromaticContact CZ2-CE2 3.58Å; W774-F790 HydrophobicContact CZ2-CE2 3.58Å; W774-F790 HydrophobicContact CZ2-CZ 4.11Å; Y788-F790 VanDerWaalsContact C-N 3.29Å; Y788-F790 PolarHBondContact O-N 2.7Å; F790-P792 VanDerWaalsContact C-CD 3.49Å; F790-P792 VanDerWaalsContact O-CD 3.25Å; F790-P792 WeakPolarHBondContact O-CD 3.46Å; F790-H804 VanDerWaalsContact CB-NE2 3.3Å; F790-H804 WeakPolarHBondContact CB-NE2 3.07Å; F790-H804 AromaticContact CD2-NE2 3.83Å; F790-H804 AromaticContact CG-NE2 3.75Å; F790-H807 HydrophobicContact CD1-CB 3.91Å; F790-I808 HydrophobicContact CD1-CG1 4.26Å; F790-I808 HydrophobicContact CD2-CG1 4.48Å; F790-I808 HydrophobicContact CE1-CG1 3.86Å; F790-I808 HydrophobicContact CE2-CG1 4.12Å; F790-I808 HydrophobicContact CZ-CG1 3.79Å; F790-L811 HydrophobicContact CE1-CB 4.22Å; F790-L811 HydrophobicContact CE1-CD2 3.7Å; F790-L811 HydrophobicContact CZ-CD2 3.69Å; F790-L873 HydrophobicContact CE2-CD2 4.44Å
791	E	97.9	Very high	97.6	Very high	101 Å²	101	55.1 Å²	55.1	47%	0.472	28%	0.279	S	S	.	.			trans	-115.4	80.9	173.6	-164.8	176.7	-132.6	0	0	112	Y788 H793 H807	Y788-E791 HydrophobicContact CD2-CB 4.45Å; Y788-E791 HydrophobicContact CD2-CG 4.31Å; E791-H793 PolarHBondContact O-CE1 3.39Å; E791-H793 PolarHBondContact O-ND1 3.13Å; E791-H793 IonicContact OE2-CE1 3.73Å; E791-H807 PolarHBondContact O-CE1 2.87Å
792	P	97.8	Very high	97.5	Very high	8 Å²	8	55 Å²	55	5%	0.052	28%	0.279	C	S	.	.			trans	-80.2	141.5	-173.3	33.4	-38.8	0	0	0	114.1	R754 F790 R800 D803 H804	R754-P792 HydrophobicContact CG-CG 4.23Å; F790-P792 VanDerWaalsContact C-CD 3.49Å; F790-P792 VanDerWaalsContact O-CD 3.25Å; F790-P792 WeakPolarHBondContact O-CD 3.46Å; P792-R800 HydrophobicContact CB-CG 3.87Å; P792-R800 HydrophobicContact CG-CG 4Å; P792-R800 WeakPolarHBondContact O-CD 3.13Å; P792-R800 WeakPolarHBondContact O-CG 3.34Å; P792-R800 PolarHBondContact O-NE 2.89Å; P792-D803 VanDerWaalsContact CA-OD2 3.26Å; P792-D803 WeakPolarHBondContact CA-OD2 3.06Å; P792-D803 HydrophobicContact CB-CB 4.37Å; P792-H804 HydrophobicContact CB-CB 3.62Å; P792-H804 HydrophobicContact CG-CB 3.75Å
793	H	97.3	Very high	97.5	Very high	110 Å²	110	55.4 Å²	55.4	51%	0.509	28%	0.281	S	S	.	.			trans	-114.6	176.7	-176.3	-73	79.9	0	0	0	111.7	E791 R800 D803	E791-H793 PolarHBondContact O-CE1 3.39Å; E791-H793 PolarHBondContact O-ND1 3.13Å; E791-H793 IonicContact OE2-CE1 3.73Å; H793-R800 VanDerWaalsContact O-CA 3.23Å; H793-R800 WeakPolarHBondContact O-CA 3.49Å; H793-D803 PolarHBondContact N-OD2 3.02Å; H793-D803 VanDerWaalsContact O-CB 3.31Å; H793-D803 WeakPolarHBondContact O-CB 3.42Å
794	S	95.8	Very high	97.5	Very high	69 Å²	69	55.4 Å²	55.4	48%	0.483	28%	0.281	S	S	.	.			trans	-121.3	125.8	176.3	-55.6	0	0	0	0	109.4	R800	S794-R800 WeakPolarHBondContact OG-CB 3.34Å
795	G	94.4	Very high	97.5	Very high	30 Å²	30	54.9 Å²	54.9	31%	0.309	28%	0.277	S	S	.	.			trans	-84.1	-165.9	177.5	0	0	0	0	0	113	Y798	G795-Y798 VanDerWaalsContact CA-CZ 3.49Å; G795-Y798 PolarHBondContact N-O 2.96Å
796	E	94.1	Very high	97.5	Very high	197 Å²	197	54.5 Å²	54.5	92%	0.921	28%	0.275	S	S	*	.	S	Bend	trans	-76.9	-40.7	170.2	-57.7	-165	138.9	0	0	111.2
797	D	95.2	Very high	97.5	Very high	132 Å²	132	56.8 Å²	56.8	71%	0.706	28%	0.284	S	S	*	.	S	Bend	trans	-108.9	-9.5	-174	-65.4	-48.1	0	0	0	115
798	Y	96.6	Very high	97.5	Very high	80 Å²	80	53.6 Å²	53.6	31%	0.314	27%	0.267	S	S	.	.	S	Bend	trans	-125.2	149.1	-176.2	59.4	-99.9	0	0	0	113.5	G795 D803 I839	G795-Y798 VanDerWaalsContact CA-CZ 3.49Å; G795-Y798 PolarHBondContact N-O 2.96Å; Y798-D803 HydrophobicContact CD2-CB 3.96Å; Y798-D803 HydrophobicContact CE2-CB 3.93Å; Y798-D803 WeakPolarHBondContact CE2-OD1 3.11Å; Y798-I839 HydrophobicContact CD1-CD1 4.34Å; Y798-I839 HydrophobicContact CD1-CG1 3.92Å; Y798-I839 HydrophobicContact CD2-CD1 3.87Å; Y798-I839 HydrophobicContact CD2-CG1 4.32Å; Y798-I839 HydrophobicContact CE2-CD1 4.33Å; Y798-I839 HydrophobicContact CG-CD1 3.88Å; Y798-I839 HydrophobicContact CG-CG1 3.81Å
799	T	97.9	Very high	97.5	Very high	63 Å²	63	50.4 Å²	50.4	39%	0.387	26%	0.256	S	S	.	.			trans	-81.5	162.5	178.8	69.7	0	0	0	0	112	D801 E802 D803	T799-D801 PolarHBondContact O-N 2.66Å; T799-D801 PolarHBondContact OG1-N 2.97Å; T799-E802 PolarHBondContact O-N 3.49Å; T799-E802 WeakPolarHBondContact OG1-CB 3.44Å; T799-E802 PolarHBondContact OG1-N 3.3Å; T799-E802 VanDerWaalsContact OG1-N 3.13Å; T799-D803 PolarHBondContact O-N 3.38Å; T799-D803 VanDerWaalsContact O-N 3.09Å
800	R	97.9	Very high	97.5	Very high	116 Å²	116	51.4 Å²	51.4	44%	0.438	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-29.4	172	-158.9	-178.1	-77.2	117.1	1.7	113	R754 P792 H793 S794 H804	R754-R800 PolarHBondContact NH2-O 3.36Å; P792-R800 HydrophobicContact CB-CG 3.87Å; P792-R800 HydrophobicContact CG-CG 4Å; P792-R800 WeakPolarHBondContact O-CD 3.13Å; P792-R800 WeakPolarHBondContact O-CG 3.34Å; P792-R800 PolarHBondContact O-NE 2.89Å; H793-R800 VanDerWaalsContact O-CA 3.23Å; H793-R800 WeakPolarHBondContact O-CA 3.49Å; S794-R800 WeakPolarHBondContact OG-CB 3.34Å; R800-H804 WeakPolarHBondContact O-CB 3.07Å; R800-H804 PolarHBondContact O-N 2.68Å
801	D	98.3	Very high	97.5	Very high	42 Å²	42	52.2 Å²	52.2	23%	0.225	26%	0.264	C	S	.	.	H	α-helix	trans	-74.2	-39.6	-178.8	-57.5	-59.2	0	0	0	111	R754 T799 H804 I805 Y829	R754-D801 IonicContact CZ-OD1 3.57Å; R754-D801 IonicContact NH1-OD1 3.16Å; R754-D801 PolarHBondContact NH1-OD1 3.43Å; R754-D801 VanDerWaalsContact NH2-CA 3.3Å; R754-D801 IonicContact NH2-OD1 3.97Å; R754-D801 PolarHBondContact NH2-OD1 3.14Å; T799-D801 PolarHBondContact O-N 2.66Å; T799-D801 PolarHBondContact OG1-N 2.97Å; D801-H804 PolarHBondContact O-N 3.15Å; D801-I805 WeakPolarHBondContact O-CD1 3.2Å; D801-I805 VanDerWaalsContact O-CG1 3.26Å; D801-I805 WeakPolarHBondContact O-CG1 3.47Å; D801-I805 PolarHBondContact O-N 3.18Å; D801-Y829 HydrophobicContact CB-CE1 3.69Å; D801-Y829 HydrophobicContact CB-CE2 4.46Å; D801-Y829 WeakPolarHBondContact CB-OH 3.28Å
802	E	98.2	Very high	97.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-41	172.8	-160.4	175.6	175.6	0	0	112.4	T799 H804 I805 A806 Y829 L836 R837 H838 I839	T799-E802 PolarHBondContact O-N 3.49Å; T799-E802 WeakPolarHBondContact OG1-CB 3.44Å; T799-E802 PolarHBondContact OG1-N 3.3Å; T799-E802 VanDerWaalsContact OG1-N 3.13Å; E802-H804 VanDerWaalsContact C-N 3.34Å; E802-I805 PolarHBondContact O-N 3.4Å; E802-A806 WeakPolarHBondContact O-CB 3.39Å; E802-A806 PolarHBondContact O-N 3.42Å; E802-Y829 HydrophobicContact CB-CD1 3.96Å; E802-Y829 HydrophobicContact CG-CD1 4.37Å; E802-L836 HydrophobicContact CG-CD2 4.02Å; E802-R837 PolarHBondContact OE1-N 2.88Å; E802-H838 VanDerWaalsContact CD-ND1 3.28Å; E802-H838 WeakPolarHBondContact OE1-CB 3.43Å; E802-H838 IonicContact OE1-CG 2.62Å; E802-H838 PolarHBondContact OE1-N 3.2Å; E802-H838 IonicContact OE1-ND1 3.2Å; E802-H838 PolarHBondContact OE1-ND1 3.06Å; E802-H838 IonicContact OE2-CE1 3.07Å; E802-H838 IonicContact OE2-CG 3.17Å; E802-H838 IonicContact OE2-ND1 3.57Å; E802-H838 PolarHBondContact OE2-ND1 3.44Å; E802-I839 HydrophobicContact CG-CD1 4.27Å
803	D	98.6	Very high	97.4	Very high	14 Å²	14	49.8 Å²	49.8	8%	0.075	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-36.8	173.8	-165.3	75.4	0	0	0	112.4	P792 H793 Y798 T799 A806 H807 I839	P792-D803 VanDerWaalsContact CA-OD2 3.26Å; P792-D803 WeakPolarHBondContact CA-OD2 3.06Å; P792-D803 HydrophobicContact CB-CB 4.37Å; H793-D803 PolarHBondContact N-OD2 3.02Å; H793-D803 VanDerWaalsContact O-CB 3.31Å; H793-D803 WeakPolarHBondContact O-CB 3.42Å; Y798-D803 HydrophobicContact CD2-CB 3.96Å; Y798-D803 HydrophobicContact CE2-CB 3.93Å; Y798-D803 WeakPolarHBondContact CE2-OD1 3.11Å; T799-D803 PolarHBondContact O-N 3.38Å; T799-D803 VanDerWaalsContact O-N 3.09Å; D803-A806 WeakPolarHBondContact O-CB 3.36Å; D803-A806 PolarHBondContact O-N 3.02Å; D803-H807 PolarHBondContact O-N 3.29Å; D803-H807 IonicContact OD2-CE1 2.72Å; D803-H807 IonicContact OD2-NE2 3.28Å; D803-I839 HydrophobicContact CB-CD1 4.19Å
804	H	98.7	Very high	97.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.8	-41.4	174.4	-160.7	-177.4	0	0	0	111.9	R754 L762 F790 P792 R800 D801 E802 A806 H807 I808	R754-H804 PolarHBondContact O-CE1 3.31Å; R754-H804 VanDerWaalsContact O-CE1 3.23Å; L762-H804 HydrophobicContact CD1-CB 4.01Å; L762-H804 WeakPolarHBondContact CD1-ND1 2.99Å; L762-H804 HydrophobicContact CD2-CB 4.47Å; L762-H804 WeakPolarHBondContact CD2-ND1 3.36Å; F790-H804 VanDerWaalsContact CB-NE2 3.3Å; F790-H804 WeakPolarHBondContact CB-NE2 3.07Å; F790-H804 AromaticContact CD2-NE2 3.83Å; F790-H804 AromaticContact CG-NE2 3.75Å; P792-H804 HydrophobicContact CB-CB 3.62Å; P792-H804 HydrophobicContact CG-CB 3.75Å; R800-H804 WeakPolarHBondContact O-CB 3.07Å; R800-H804 PolarHBondContact O-N 2.68Å; D801-H804 PolarHBondContact O-N 3.15Å; E802-H804 VanDerWaalsContact C-N 3.34Å; H804-A806 VanDerWaalsContact C-N 3.3Å; H804-H807 PolarHBondContact O-N 3.42Å; H804-I808 WeakPolarHBondContact O-CD1 3.37Å; H804-I808 VanDerWaalsContact O-CG1 3.3Å; H804-I808 WeakPolarHBondContact O-CG1 3.48Å; H804-I808 PolarHBondContact O-N 2.82Å; H804-I808 VanDerWaalsContact O-N 3.11Å
805	I	98.6	Very high	97.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-36.4	173.5	-64.9	163.2	0	0	0	110.5	L759 L762 I763 D801 E802 I808 M809 Y829 F830 L836	L759-I805 HydrophobicContact CD1-CG1 4.02Å; L762-I805 HydrophobicContact CB-CD1 4.4Å; L762-I805 HydrophobicContact CB-CG1 4.3Å; L762-I805 HydrophobicContact CD1-CG1 4.15Å; I763-I805 HydrophobicContact CG2-CD1 4.06Å; D801-I805 WeakPolarHBondContact O-CD1 3.2Å; D801-I805 VanDerWaalsContact O-CG1 3.26Å; D801-I805 WeakPolarHBondContact O-CG1 3.47Å; D801-I805 PolarHBondContact O-N 3.18Å; E802-I805 PolarHBondContact O-N 3.4Å; I805-I808 PolarHBondContact O-N 3.04Å; I805-M809 HydrophobicContact CG2-CG 4.48Å; I805-M809 HydrophobicContact CG2-SD 4.13Å; I805-M809 WeakPolarHBondContact O-CG 3.39Å; I805-M809 PolarHBondContact O-N 3.3Å; I805-Y829 HydrophobicContact CD1-CD2 3.47Å; I805-Y829 VanDerWaalsContact CD1-CD2 3.47Å; I805-Y829 HydrophobicContact CD1-CE2 4.05Å; I805-Y829 HydrophobicContact CD1-CG 3.75Å; I805-F830 HydrophobicContact CD1-CE2 4.48Å; I805-F830 HydrophobicContact CD1-CZ 4.35Å; I805-F830 HydrophobicContact CG2-CE1 3.94Å; I805-F830 HydrophobicContact CG2-CZ 3.6Å; I805-L836 HydrophobicContact CB-CD2 4.42Å; I805-L836 HydrophobicContact CG2-CD2 3.85Å
806	A	98.4	Very high	97.2	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-49.6	174.2	0	0	0	0	0	112.1	E802 D803 H804 I808 M809 E810 L836 I839 L842	E802-A806 WeakPolarHBondContact O-CB 3.39Å; E802-A806 PolarHBondContact O-N 3.42Å; D803-A806 WeakPolarHBondContact O-CB 3.36Å; D803-A806 PolarHBondContact O-N 3.02Å; H804-A806 VanDerWaalsContact C-N 3.3Å; A806-I808 VanDerWaalsContact C-N 3.29Å; A806-I808 PolarHBondContact O-N 2.57Å; A806-M809 CarbonylContact O-C 3.5Å; A806-M809 WeakPolarHBondContact O-CB 3.26Å; A806-M809 PolarHBondContact O-N 3Å; A806-E810 WeakPolarHBondContact O-CG 3.44Å; A806-E810 PolarHBondContact O-N 2.93Å; A806-L836 HydrophobicContact CB-CD1 3.81Å; A806-I839 HydrophobicContact CB-CD1 3.81Å; A806-I839 HydrophobicContact CB-CG2 3.99Å; A806-L842 HydrophobicContact CB-CD2 3.63Å
807	H	98.4	Very high	97.3	Very high	51 Å²	51	42.1 Å²	42.1	24%	0.236	22%	0.223	C	C	.	.	H	α-helix	trans	-59.2	-38.1	175.3	-66.6	163	0	0	0	112.7	F790 E791 D803 H804 M809 E810 L811	F790-H807 HydrophobicContact CD1-CB 3.91Å; E791-H807 PolarHBondContact O-CE1 2.87Å; D803-H807 PolarHBondContact O-N 3.29Å; D803-H807 IonicContact OD2-CE1 2.72Å; D803-H807 IonicContact OD2-NE2 3.28Å; H804-H807 PolarHBondContact O-N 3.42Å; H807-M809 VanDerWaalsContact C-N 3.35Å; H807-E810 IonicContact CD2-OE2 2.74Å; H807-E810 PolarHBondContact O-N 3.17Å; H807-L811 PolarHBondContact O-N 3.23Å
808	I	98.6	Very high	97.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.9	-42.2	174.2	-69.1	165.4	0	0	0	110.8	L759 L762 W774 F790 H804 I805 A806 L811 L812	L759-I808 HydrophobicContact CB-CD1 4.39Å; L759-I808 HydrophobicContact CD1-CD1 4.12Å; L759-I808 HydrophobicContact CD2-CG2 4.3Å; L762-I808 HydrophobicContact CD1-CD1 3.75Å; W774-I808 HydrophobicContact CH2-CD1 4.02Å; W774-I808 HydrophobicContact CH2-CG1 4.1Å; W774-I808 HydrophobicContact CH2-CG2 3.94Å; W774-I808 HydrophobicContact CZ2-CD1 3.65Å; W774-I808 HydrophobicContact CZ2-CG1 3.87Å; F790-I808 HydrophobicContact CD1-CG1 4.26Å; F790-I808 HydrophobicContact CD2-CG1 4.48Å; F790-I808 HydrophobicContact CE1-CG1 3.86Å; F790-I808 HydrophobicContact CE2-CG1 4.12Å; F790-I808 HydrophobicContact CZ-CG1 3.79Å; H804-I808 WeakPolarHBondContact O-CD1 3.37Å; H804-I808 VanDerWaalsContact O-CG1 3.3Å; H804-I808 WeakPolarHBondContact O-CG1 3.48Å; H804-I808 PolarHBondContact O-N 2.82Å; H804-I808 VanDerWaalsContact O-N 3.11Å; I805-I808 PolarHBondContact O-N 3.04Å; A806-I808 VanDerWaalsContact C-N 3.29Å; A806-I808 PolarHBondContact O-N 2.57Å; I808-L811 PolarHBondContact O-N 3.34Å; I808-L812 HydrophobicContact CG2-CD1 4.1Å; I808-L812 WeakPolarHBondContact O-CB 3.48Å; I808-L812 PolarHBondContact O-N 3.34Å
809	M	98.3	Very high	97.4	Very high	17 Å²	17	38 Å²	38	8%	0.084	21%	0.211	C	C	.	.	H	α-helix	trans	-69.9	-29.3	176.7	-70.8	176.3	74.3	0	0	113.8	I805 A806 H807 G813 L815 F830 L836 L842	I805-M809 HydrophobicContact CG2-CG 4.48Å; I805-M809 HydrophobicContact CG2-SD 4.13Å; I805-M809 WeakPolarHBondContact O-CG 3.39Å; I805-M809 PolarHBondContact O-N 3.3Å; A806-M809 CarbonylContact O-C 3.5Å; A806-M809 WeakPolarHBondContact O-CB 3.26Å; A806-M809 PolarHBondContact O-N 3Å; H807-M809 VanDerWaalsContact C-N 3.35Å; M809-G813 WeakPolarHBondContact CA-O 3.27Å; M809-G813 CarbonylContact O-C 3.59Å; M809-G813 WeakPolarHBondContact O-CA 3.26Å; M809-G813 PolarHBondContact O-N 3.23Å; M809-L815 HydrophobicContact CG-CD1 3.28Å; M809-L815 HydrophobicContact SD-CD1 3.97Å; M809-F830 HydrophobicContact SD-CE1 4.43Å; M809-L836 HydrophobicContact SD-CD1 3.87Å; M809-L836 HydrophobicContact SD-CD2 4.44Å; M809-L836 HydrophobicContact SD-CG 3.88Å; M809-L842 HydrophobicContact CB-CD1 3.82Å; M809-L842 HydrophobicContact CE-CD1 3.84Å; M809-L842 HydrophobicContact SD-CD1 4.25Å
810	E	98.4	Very high	97.3	Very high	42 Å²	42	35 Å²	35	20%	0.196	19%	0.192	C	C	.	.	H	α-helix	trans	-72.7	-36.9	175.3	-72.9	176.8	151	0	0	111.8	A806 H807 L842 K843 P844 W845	A806-E810 WeakPolarHBondContact O-CG 3.44Å; A806-E810 PolarHBondContact O-N 2.93Å; H807-E810 IonicContact CD2-OE2 2.74Å; H807-E810 PolarHBondContact O-N 3.17Å; E810-L842 HydrophobicContact CG-CB 3.96Å; E810-L842 HydrophobicContact CG-CD2 4.09Å; E810-L842 WeakPolarHBondContact OE1-CA 3.33Å; E810-K843 PolarHBondContact OE1-N 3.08Å; E810-P844 CarbonylContact O-C 3.57Å; E810-P844 VanDerWaalsContact O-CA 3.27Å; E810-P844 WeakPolarHBondContact O-CA 3.2Å; E810-W845 PolarHBondContact O-N 3.42Å
811	L	98.4	Very high	97.2	Very high	21 Å²	21	33.2 Å²	33.2	11%	0.11	19%	0.191	C	C	.	.	H	α-helix	trans	-81.4	-42.4	179.3	-170.7	77	0	0	0	113.4	L789 F790 H807 I808 L847 L873	L789-L811 HydrophobicContact CD1-CD2 3.79Å; L789-L811 HydrophobicContact CD2-CD2 4.26Å; L789-L811 HydrophobicContact CG-CD2 4.18Å; F790-L811 HydrophobicContact CE1-CB 4.22Å; F790-L811 HydrophobicContact CE1-CD2 3.7Å; F790-L811 HydrophobicContact CZ-CD2 3.69Å; H807-L811 PolarHBondContact O-N 3.23Å; I808-L811 PolarHBondContact O-N 3.34Å; L811-L847 HydrophobicContact CD1-CB 3.97Å; L811-L847 HydrophobicContact CD1-CD1 4.28Å; L811-L847 HydrophobicContact CG-CB 4.42Å; L811-L873 HydrophobicContact CD2-CD1 4.43Å
812	L	97.8	Very high	97.1	Very high	36 Å²	36	34.4 Å²	34.4	19%	0.188	20%	0.203	C	C	.	.	H	α-helix	trans	-111.5	-6.6	-168.6	-52	-178.8	0	0	0	114.1	W774 I808 L870 L873 M875	W774-L812 HydrophobicContact CH2-CD1 4.05Å; W774-L812 HydrophobicContact CZ3-CD1 4.29Å; I808-L812 HydrophobicContact CG2-CD1 4.1Å; I808-L812 WeakPolarHBondContact O-CB 3.48Å; I808-L812 PolarHBondContact O-N 3.34Å; L812-L870 HydrophobicContact CD2-CD2 3.75Å; L812-L873 HydrophobicContact CD1-CB 4.11Å; L812-L873 VanDerWaalsContact CD1-O 3.27Å; L812-L873 WeakPolarHBondContact CD1-O 3.5Å; L812-L873 HydrophobicContact CD2-CB 4.21Å; L812-L873 HydrophobicContact CD2-CD1 4.48Å; L812-M875 HydrophobicContact CB-CE 4.41Å; L812-M875 HydrophobicContact CD1-CG 4.19Å
813	G	95.6	Very high	97	Very high	21 Å²	21	34.7 Å²	34.7	22%	0.216	21%	0.206	C	C	.	.			trans	86	-170.2	-176.8	0	0	0	0	0	114.4	M809	M809-G813 WeakPolarHBondContact CA-O 3.27Å; M809-G813 CarbonylContact O-C 3.59Å; M809-G813 WeakPolarHBondContact O-CA 3.26Å; M809-G813 PolarHBondContact O-N 3.23Å
814	P	94.4	Very high	96.9	Very high	109 Å²	109	40.3 Å²	40.3	71%	0.708	23%	0.226	S	C	*	.	S	Bend	trans	-71.4	131.9	-171.7	28.9	-34.7	0	0	0	112.4
815	L	94.8	Very high	96.9	Very high	17 Å²	17	44.6 Å²	44.6	9%	0.089	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-57.8	143.9	176	-83.6	67.1	0	0	0	112.2	L759 M809 L817 A820 F830 M875	L759-L815 HydrophobicContact CD1-CD2 4.2Å; L759-L815 HydrophobicContact CD2-CD1 4.27Å; L759-L815 HydrophobicContact CD2-CD2 3.8Å; L759-L815 HydrophobicContact CD2-CG 3.86Å; L759-L815 HydrophobicContact CG-CD2 4.42Å; M809-L815 HydrophobicContact CG-CD1 3.28Å; M809-L815 HydrophobicContact SD-CD1 3.97Å; L815-L817 PolarHBondContact O-N 3.39Å; L815-A820 HydrophobicContact CB-CB 3.89Å; L815-A820 HydrophobicContact CD2-CB 3.85Å; L815-F830 HydrophobicContact CD2-CE1 4.19Å; L815-F830 HydrophobicContact CD2-CE2 4.4Å; L815-F830 HydrophobicContact CD2-CZ 3.59Å; L815-M875 HydrophobicContact CB-SD 4.36Å; L815-M875 HydrophobicContact CD1-SD 3.87Å; L815-M875 HydrophobicContact CG-SD 3.82Å
816	P	95.1	Very high	96.8	Very high	39 Å²	39	44.7 Å²	44.7	25%	0.253	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-56.2	120.1	165.6	-24.5	34.7	0	0	0	111.2	P818 F819 A820 E876	P816-P818 VanDerWaalsContact C-N 3.34Å; P816-F819 HydrophobicContact CB-CB 4.35Å; P816-F819 PolarHBondContact O-N 3.42Å; P816-A820 PolarHBondContact O-N 3.29Å; P816-E876 HydrophobicContact CG-CG 4.26Å
817	L	95.8	Very high	96.7	Very high	81 Å²	81	54.7 Å²	54.7	42%	0.424	28%	0.281	S	S	.	.	H	α-helix	trans	-51.8	-38.9	-176.3	-178.4	62.3	0	0	0	115	L815 F819 L821 R833	L815-L817 PolarHBondContact O-N 3.39Å; L817-F819 VanDerWaalsContact C-N 3.35Å; L817-L821 HydrophobicContact CD1-CD1 3.62Å; L817-L821 HydrophobicContact CD1-CG 4.01Å; L817-L821 HydrophobicContact CG-CD1 4.24Å; L817-L821 PolarHBondContact O-N 3.23Å; L817-R833 VanDerWaalsContact CD1-C 3.41Å; L817-R833 WeakPolarHBondContact CD1-O 3.3Å
818	P	96	Very high	96.7	Very high	104 Å²	104	57.8 Å²	57.8	68%	0.675	30%	0.295	S	S	*	.	H	α-helix	trans	-62.5	-41	175.6	-22.7	35	0	0	0	112.6	P816 S822	P816-P818 VanDerWaalsContact C-N 3.34Å; P818-S822 PolarHBondContact O-N 3.08Å
819	F	96.4	Very high	96.6	Very high	21 Å²	21	58.4 Å²	58.4	9%	0.092	30%	0.298	C	S	.	.	H	α-helix	trans	-73.7	-45.4	179.9	-174.8	-113.8	0	0	0	111.6	L759 E760 I763 A765 P816 L817 L821 S822 M875 E876 P877	L759-F819 HydrophobicContact CD2-CD1 4.37Å; L759-F819 HydrophobicContact CD2-CE1 3.82Å; L759-F819 HydrophobicContact CG-CE1 4.01Å; E760-F819 HydrophobicContact CB-CZ 4.06Å; I763-F819 HydrophobicContact CD1-CD1 4.3Å; I763-F819 HydrophobicContact CD1-CE1 3.95Å; I763-F819 HydrophobicContact CD1-CE2 4.25Å; I763-F819 HydrophobicContact CD1-CZ 3.92Å; I763-F819 WeakPolarHBondContact CD1-O 3.25Å; A765-F819 HydrophobicContact CB-CE2 4.44Å; P816-F819 HydrophobicContact CB-CB 4.35Å; P816-F819 PolarHBondContact O-N 3.42Å; L817-F819 VanDerWaalsContact C-N 3.35Å; F819-L821 PolarHBondContact O-N 3.23Å; F819-S822 WeakPolarHBondContact O-CB 3.36Å; F819-S822 PolarHBondContact O-N 3.3Å; F819-S822 PolarHBondContact O-OG 3.04Å; F819-M875 WeakPolarHBondContact CE1-O 3.26Å; F819-M875 WeakPolarHBondContact CZ-O 3.31Å; F819-E876 HydrophobicContact CB-CG 4.17Å; F819-E876 HydrophobicContact CG-CG 4.17Å; F819-P877 HydrophobicContact CE2-CG 4.28Å; F819-P877 HydrophobicContact CZ-CG 4.19Å
820	A	96.3	Very high	96.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-56.4	-22.3	176.2	0	0	0	0	0	114.3	L815 P816 S826 F830	L815-A820 HydrophobicContact CB-CB 3.89Å; L815-A820 HydrophobicContact CD2-CB 3.85Å; P816-A820 PolarHBondContact O-N 3.29Å; A820-S826 VanDerWaalsContact O-CB 3.23Å; A820-S826 WeakPolarHBondContact O-CB 3.29Å; A820-S826 PolarHBondContact O-OG 3.47Å; A820-F830 HydrophobicContact CB-CD2 4.5Å; A820-F830 HydrophobicContact CB-CE1 4.46Å; A820-F830 HydrophobicContact CB-CE2 4.31Å; A820-F830 HydrophobicContact CB-CZ 4.29Å; A820-F830 WeakPolarHBondContact O-CD2 3.5Å; A820-F830 WeakPolarHBondContact O-CE2 3.23Å
821	L	96.3	Very high	96.5	Very high	79 Å²	79	57.3 Å²	57.3	41%	0.414	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	2.6	178.5	-62	-178.4	0	0	0	114.2	L817 F819 F830	L817-L821 HydrophobicContact CD1-CD1 3.62Å; L817-L821 HydrophobicContact CD1-CG 4.01Å; L817-L821 HydrophobicContact CG-CD1 4.24Å; L817-L821 PolarHBondContact O-N 3.23Å; F819-L821 PolarHBondContact O-N 3.23Å; L821-F830 HydrophobicContact CD2-CB 4.18Å
822	S	95.7	Very high	96.3	Very high	67 Å²	67	67.7 Å²	67.7	47%	0.469	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-39.8	-176.4	67.6	0	0	0	0	113.9	P818 F819	P818-S822 PolarHBondContact O-N 3.08Å; F819-S822 WeakPolarHBondContact O-CB 3.36Å; F819-S822 PolarHBondContact O-N 3.3Å; F819-S822 PolarHBondContact O-OG 3.04Å
823	G	96.6	Very high	96.1	Very high	7 Å²	7	74.9 Å²	74.9	7%	0.072	36%	0.357	C	S	.	.	S	Bend	trans	-74.2	154.2	-172.4	0	0	0	0	0	114	I763 Y825 S826	I763-G823 CarbonylContact O-C 3.56Å; I763-G823 VanDerWaalsContact O-CA 3.23Å; I763-G823 WeakPolarHBondContact O-CA 3.3Å; G823-Y825 VanDerWaalsContact C-N 3.29Å; G823-Y825 PolarHBondContact O-N 3.33Å; G823-S826 VanDerWaalsContact C-OG 3.28Å; G823-S826 VanDerWaalsContact CA-OG 3.3Å; G823-S826 WeakPolarHBondContact CA-OG 3.27Å; G823-S826 PolarHBondContact N-OG 3.49Å; G823-S826 VanDerWaalsContact O-CB 3.23Å; G823-S826 WeakPolarHBondContact O-CB 3.39Å; G823-S826 PolarHBondContact O-N 3.04Å; G823-S826 PolarHBondContact O-OG 2.61Å
824	R	97.4	Very high	96	Very high	131 Å²	131	74.5 Å²	74.5	49%	0.494	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-34.5	-177	-63.6	175.8	-58	-121.2	1.5	113.5	E749 I763 G764	E749-R824 IonicContact OE2-CZ 2.67Å; E749-R824 IonicContact OE2-NH1 3.75Å; E749-R824 PolarHBondContact OE2-NH1 3.16Å; E749-R824 IonicContact OE2-NH2 3.93Å; E749-R824 PolarHBondContact OE2-NH2 3.21Å; I763-R824 PolarHBondContact O-N 3.28Å; I763-R824 VanDerWaalsContact O-N 3.15Å; G764-R824 WeakPolarHBondContact O-CG 3.5Å; G764-R824 PolarHBondContact O-N 3.17Å; G764-R824 PolarHBondContact O-NE 3.46Å
825	Y	97.4	Very high	96	Very high	91 Å²	91	73.6 Å²	73.6	36%	0.357	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-6.9	-178.5	-48.5	-54.5	0	0	0	113.1	I763 G823 R827 E828	I763-Y825 PolarHBondContact O-N 3.43Å; G823-Y825 VanDerWaalsContact C-N 3.29Å; G823-Y825 PolarHBondContact O-N 3.33Å; Y825-R827 PolarHBondContact O-N 2.89Å; Y825-E828 VanDerWaalsContact O-CB 3.31Å; Y825-E828 WeakPolarHBondContact O-CB 3.34Å; Y825-E828 PolarHBondContact O-N 2.75Å
826	S	97.3	Very high	96.1	Very high	2 Å²	2	73.5 Å²	73.5	1%	0.014	34%	0.339	C	S	.	.	H	α-helix	trans	-49.1	-31.4	-177.7	-53.5	0	0	0	0	114.7	A820 G823 E828 Y829 F830	A820-S826 VanDerWaalsContact O-CB 3.23Å; A820-S826 WeakPolarHBondContact O-CB 3.29Å; A820-S826 PolarHBondContact O-OG 3.47Å; G823-S826 VanDerWaalsContact C-OG 3.28Å; G823-S826 VanDerWaalsContact CA-OG 3.3Å; G823-S826 WeakPolarHBondContact CA-OG 3.27Å; G823-S826 PolarHBondContact N-OG 3.49Å; G823-S826 VanDerWaalsContact O-CB 3.23Å; G823-S826 WeakPolarHBondContact O-CB 3.39Å; G823-S826 PolarHBondContact O-N 3.04Å; G823-S826 PolarHBondContact O-OG 2.61Å; S826-E828 VanDerWaalsContact C-N 3.26Å; S826-E828 PolarHBondContact O-N 2.75Å; S826-Y829 PolarHBondContact O-N 3.19Å; S826-F830 WeakPolarHBondContact O-CB 3.43Å; S826-F830 WeakPolarHBondContact O-CD2 3.48Å; S826-F830 PolarHBondContact O-N 2.64Å
827	R	96.6	Very high	96.2	Very high	213 Å²	213	77.5 Å²	77.5	80%	0.804	35%	0.349	S	S	*	.	H	α-helix	trans	-69.7	-22.2	178.7	-65.5	-177.2	-179	178.8	2.9	113.4	Y825 R837	Y825-R827 PolarHBondContact O-N 2.89Å; R827-R837 VanDerWaalsContact O-CZ 3.25Å; R827-R837 PolarHBondContact O-NE 2.79Å; R827-R837 PolarHBondContact O-NH2 3.3Å
828	E	96.8	Very high	96.3	Very high	115 Å²	115	78.2 Å²	78.2	54%	0.537	35%	0.35	S	S	.	.	H	α-helix	trans	-78	-33.7	178.4	-58.3	-177.7	-140.6	0	0	111.1	Y825 S826 R837	Y825-E828 VanDerWaalsContact O-CB 3.31Å; Y825-E828 WeakPolarHBondContact O-CB 3.34Å; Y825-E828 PolarHBondContact O-N 2.75Å; S826-E828 VanDerWaalsContact C-N 3.26Å; S826-E828 PolarHBondContact O-N 2.75Å; E828-R837 VanDerWaalsContact O-CD 3.31Å; E828-R837 WeakPolarHBondContact O-CD 3.27Å
829	Y	97.5	Very high	96.3	Very high	14 Å²	14	74.5 Å²	74.5	6%	0.055	32%	0.324	C	S	.	.	H	α-helix	trans	-98.7	-36.5	-176.5	-44.5	-51.3	0	0	0	114	L762 D801 E802 I805 S826 L836 R837	L762-Y829 WeakPolarHBondContact O-CE2 3.44Å; D801-Y829 HydrophobicContact CB-CE1 3.69Å; D801-Y829 HydrophobicContact CB-CE2 4.46Å; D801-Y829 WeakPolarHBondContact CB-OH 3.28Å; E802-Y829 HydrophobicContact CB-CD1 3.96Å; E802-Y829 HydrophobicContact CG-CD1 4.37Å; I805-Y829 HydrophobicContact CD1-CD2 3.47Å; I805-Y829 VanDerWaalsContact CD1-CD2 3.47Å; I805-Y829 HydrophobicContact CD1-CE2 4.05Å; I805-Y829 HydrophobicContact CD1-CG 3.75Å; S826-Y829 PolarHBondContact O-N 3.19Å; Y829-L836 CarbonylContact O-C 3.58Å; Y829-L836 WeakPolarHBondContact O-CA 3.33Å; Y829-R837 WeakPolarHBondContact O-CG 3.26Å; Y829-R837 PolarHBondContact O-N 3.35Å
830	F	97.9	Very high	96.1	Very high	2 Å²	2	78.3 Å²	78.3	1%	0.009	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-110.5	149.7	-169.6	-57.2	-75.1	0	0	0	115.2	I763 I805 M809 L815 A820 L821 S826 G834 E835 L836 R837	I763-F830 HydrophobicContact CG2-CE2 3.91Å; I763-F830 HydrophobicContact CG2-CZ 4.48Å; I805-F830 HydrophobicContact CD1-CE2 4.48Å; I805-F830 HydrophobicContact CD1-CZ 4.35Å; I805-F830 HydrophobicContact CG2-CE1 3.94Å; I805-F830 HydrophobicContact CG2-CZ 3.6Å; M809-F830 HydrophobicContact SD-CE1 4.43Å; L815-F830 HydrophobicContact CD2-CE1 4.19Å; L815-F830 HydrophobicContact CD2-CE2 4.4Å; L815-F830 HydrophobicContact CD2-CZ 3.59Å; A820-F830 HydrophobicContact CB-CD2 4.5Å; A820-F830 HydrophobicContact CB-CE1 4.46Å; A820-F830 HydrophobicContact CB-CE2 4.31Å; A820-F830 HydrophobicContact CB-CZ 4.29Å; A820-F830 WeakPolarHBondContact O-CD2 3.5Å; A820-F830 WeakPolarHBondContact O-CE2 3.23Å; L821-F830 HydrophobicContact CD2-CB 4.18Å; S826-F830 WeakPolarHBondContact O-CB 3.43Å; S826-F830 WeakPolarHBondContact O-CD2 3.48Å; S826-F830 PolarHBondContact O-N 2.64Å; F830-G834 WeakPolarHBondContact CD1-O 3.35Å; F830-E835 CarbonylContact C-O 3.13Å; F830-E835 VanDerWaalsContact CA-O 3.28Å; F830-E835 WeakPolarHBondContact CA-O 3.41Å; F830-L836 HydrophobicContact CD1-CD2 3.8Å; F830-L836 HydrophobicContact CE1-CD2 3.57Å; F830-L836 HydrophobicContact CE1-CG 4.34Å; F830-L836 HydrophobicContact CZ-CD2 4.29Å; F830-R837 PolarHBondContact O-NE 2.98Å; F830-R837 PolarHBondContact O-NH2 3.01Å
831	T	96.6	Very high	95.9	Very high	33 Å²	33	85 Å²	85	20%	0.202	39%	0.389	C	S	.	.			trans	-74.3	171.6	162	83.5	0	0	0	0	110.7	R833 G834 E835 R837	T831-R833 PolarHBondContact O-N 2.85Å; T831-R833 PolarHBondContact OG1-N 3.01Å; T831-R833 VanDerWaalsContact OG1-N 3.09Å; T831-G834 PolarHBondContact O-N 3.43Å; T831-G834 VanDerWaalsContact O-N 3.16Å; T831-E835 HydrophobicContact CG2-CB 4.03Å; T831-E835 PolarHBondContact N-O 3.38Å; T831-E835 PolarHBondContact OG1-OE2 3.15Å; T831-R837 HydrophobicContact CG2-CG 4.5Å
832	R	94.8	Very high	95.9	Very high	240 Å²	240	83.8 Å²	83.8	91%	0.906	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-2.6	173.2	-65.9	-174.4	-176	170.3	1.7	114.2
833	R	93.8	Very high	95.9	Very high	186 Å²	186	88.4 Å²	88.4	70%	0.702	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-1.1	177.8	-62.8	173	172.1	178.9	-1.2	113.2	L817 T831 E835	L817-R833 VanDerWaalsContact CD1-C 3.41Å; L817-R833 WeakPolarHBondContact CD1-O 3.3Å; T831-R833 PolarHBondContact O-N 2.85Å; T831-R833 PolarHBondContact OG1-N 3.01Å; T831-R833 VanDerWaalsContact OG1-N 3.09Å; R833-E835 VanDerWaalsContact C-N 3.28Å; R833-E835 HydrophobicContact CB-CG 4.07Å; R833-E835 VanDerWaalsContact CD-CD 3.48Å; R833-E835 WeakPolarHBondContact CD-OE1 3.23Å; R833-E835 VanDerWaalsContact CD-OE2 3.32Å; R833-E835 WeakPolarHBondContact CD-OE2 3.49Å; R833-E835 IonicContact NH1-OE1 3.64Å; R833-E835 PolarHBondContact NH1-OE1 2.86Å; R833-E835 VanDerWaalsContact NH1-OE1 3.16Å
834	G	91.9	Very high	96	Very high	14 Å²	14	93.3 Å²	93.3	14%	0.144	43%	0.425	C	S	.	.	S	Bend	trans	80.7	3.8	-173.6	0	0	0	0	0	114.4	F830 T831	F830-G834 WeakPolarHBondContact CD1-O 3.35Å; T831-G834 PolarHBondContact O-N 3.43Å; T831-G834 VanDerWaalsContact O-N 3.16Å
835	E	95.3	Very high	96	Very high	89 Å²	89	92.6 Å²	92.6	42%	0.416	42%	0.422	S	S	.	.			trans	-70.9	145.9	169.6	-52.9	145.3	157.8	0	0	108.9	F830 T831 R833	F830-E835 CarbonylContact C-O 3.13Å; F830-E835 VanDerWaalsContact CA-O 3.28Å; F830-E835 WeakPolarHBondContact CA-O 3.41Å; T831-E835 HydrophobicContact CG2-CB 4.03Å; T831-E835 PolarHBondContact N-O 3.38Å; T831-E835 PolarHBondContact OG1-OE2 3.15Å; R833-E835 VanDerWaalsContact C-N 3.28Å; R833-E835 HydrophobicContact CB-CG 4.07Å; R833-E835 VanDerWaalsContact CD-CD 3.48Å; R833-E835 WeakPolarHBondContact CD-OE1 3.23Å; R833-E835 VanDerWaalsContact CD-OE2 3.32Å; R833-E835 WeakPolarHBondContact CD-OE2 3.49Å; R833-E835 IonicContact NH1-OE1 3.64Å; R833-E835 PolarHBondContact NH1-OE1 2.86Å; R833-E835 VanDerWaalsContact NH1-OE1 3.16Å
836	L	97.4	Very high	96	Very high	15 Å²	15	89.2 Å²	89.2	8%	0.079	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-67.4	155.3	168.4	-70.8	175.9	0	0	0	111.1	E802 I805 A806 M809 Y829 F830 I839 L842	E802-L836 HydrophobicContact CG-CD2 4.02Å; I805-L836 HydrophobicContact CB-CD2 4.42Å; I805-L836 HydrophobicContact CG2-CD2 3.85Å; A806-L836 HydrophobicContact CB-CD1 3.81Å; M809-L836 HydrophobicContact SD-CD1 3.87Å; M809-L836 HydrophobicContact SD-CD2 4.44Å; M809-L836 HydrophobicContact SD-CG 3.88Å; Y829-L836 CarbonylContact O-C 3.58Å; Y829-L836 WeakPolarHBondContact O-CA 3.33Å; F830-L836 HydrophobicContact CD1-CD2 3.8Å; F830-L836 HydrophobicContact CE1-CD2 3.57Å; F830-L836 HydrophobicContact CE1-CG 4.34Å; F830-L836 HydrophobicContact CZ-CD2 4.29Å; L836-I839 WeakPolarHBondContact CB-O 3.39Å; L836-I839 HydrophobicContact CD1-CB 4.25Å; L836-L842 HydrophobicContact CD1-CD2 4.34Å
837	R	96.8	Very high	96	Very high	123 Å²	123	89.3 Å²	89.3	46%	0.464	42%	0.416	S	S	.	.	S	Bend	trans	-83.7	-47.8	-173.2	-77.1	-174.6	-175.3	-69.9	-3.9	114	E802 R827 E828 Y829 F830 T831	E802-R837 PolarHBondContact OE1-N 2.88Å; R827-R837 VanDerWaalsContact O-CZ 3.25Å; R827-R837 PolarHBondContact O-NE 2.79Å; R827-R837 PolarHBondContact O-NH2 3.3Å; E828-R837 VanDerWaalsContact O-CD 3.31Å; E828-R837 WeakPolarHBondContact O-CD 3.27Å; Y829-R837 WeakPolarHBondContact O-CG 3.26Å; Y829-R837 PolarHBondContact O-N 3.35Å; F830-R837 PolarHBondContact O-NE 2.98Å; F830-R837 PolarHBondContact O-NH2 3.01Å; T831-R837 HydrophobicContact CG2-CG 4.5Å
838	H	97.4	Very high	96.1	Very high	97 Å²	97	82.1 Å²	82.1	45%	0.449	39%	0.391	S	S	.	.	S	Bend	trans	-111.3	-22.2	-169	-46.3	105	0	0	0	111.4	E802	E802-H838 VanDerWaalsContact CD-ND1 3.28Å; E802-H838 WeakPolarHBondContact OE1-CB 3.43Å; E802-H838 IonicContact OE1-CG 2.62Å; E802-H838 PolarHBondContact OE1-N 3.2Å; E802-H838 IonicContact OE1-ND1 3.2Å; E802-H838 PolarHBondContact OE1-ND1 3.06Å; E802-H838 IonicContact OE2-CE1 3.07Å; E802-H838 IonicContact OE2-CG 3.17Å; E802-H838 IonicContact OE2-ND1 3.57Å; E802-H838 PolarHBondContact OE2-ND1 3.44Å
839	I	96.2	Very high	96.2	Very high	26 Å²	26	80.6 Å²	80.6	13%	0.133	38%	0.383	C	S	.	.			trans	-103.9	103.4	174.7	-54.8	176.2	0	0	0	109.4	Y798 E802 D803 A806 L836 L842	Y798-I839 HydrophobicContact CD1-CD1 4.34Å; Y798-I839 HydrophobicContact CD1-CG1 3.92Å; Y798-I839 HydrophobicContact CD2-CD1 3.87Å; Y798-I839 HydrophobicContact CD2-CG1 4.32Å; Y798-I839 HydrophobicContact CE2-CD1 4.33Å; Y798-I839 HydrophobicContact CG-CD1 3.88Å; Y798-I839 HydrophobicContact CG-CG1 3.81Å; E802-I839 HydrophobicContact CG-CD1 4.27Å; D803-I839 HydrophobicContact CB-CD1 4.19Å; A806-I839 HydrophobicContact CB-CD1 3.81Å; A806-I839 HydrophobicContact CB-CG2 3.99Å; L836-I839 WeakPolarHBondContact CB-O 3.39Å; L836-I839 HydrophobicContact CD1-CB 4.25Å; I839-L842 HydrophobicContact CG2-CD2 3.9Å
840	S	91.8	Very high	96.2	Very high	100 Å²	100	80.6 Å²	80.6	70%	0.699	39%	0.385	S	S	*	.			trans	-108.3	-15.9	-176.2	54.8	0	0	0	0	115.2
841	N	92.9	Very high	96.3	Very high	140 Å²	140	80.5 Å²	80.5	75%	0.749	39%	0.385	S	S	*	.			trans	-111.6	68.6	-175.7	-66.7	-47	0	0	0	111.1
842	L	95.6	Very high	96.3	Very high	55 Å²	55	82.1 Å²	82.1	29%	0.288	39%	0.391	S	S	.	.			trans	-67.3	149.2	172.5	-58.7	177	0	0	0	111	A806 M809 E810 L836 I839	A806-L842 HydrophobicContact CB-CD2 3.63Å; M809-L842 HydrophobicContact CB-CD1 3.82Å; M809-L842 HydrophobicContact CE-CD1 3.84Å; M809-L842 HydrophobicContact SD-CD1 4.25Å; E810-L842 HydrophobicContact CG-CB 3.96Å; E810-L842 HydrophobicContact CG-CD2 4.09Å; E810-L842 WeakPolarHBondContact OE1-CA 3.33Å; L836-L842 HydrophobicContact CD1-CD2 4.34Å; I839-L842 HydrophobicContact CG2-CD2 3.9Å
843	K	96.5	Very high	96.5	Very high	164 Å²	164	76.7 Å²	76.7	71%	0.713	38%	0.376	S	S	*	.			trans	-120.9	85.4	177.1	-58.4	170.8	-164.1	153.4	0	109.7	E810 W845	E810-K843 PolarHBondContact OE1-N 3.08Å; K843-W845 PolarHBondContact O-N 2.78Å
844	P	97.4	Very high	96.7	Very high	109 Å²	109	72.4 Å²	72.4	71%	0.708	36%	0.363	S	S	*	.			trans	-58.7	129.2	-179.7	-24.7	35	0	0	0	112.2	E810	E810-P844 CarbonylContact O-C 3.57Å; E810-P844 VanDerWaalsContact O-CA 3.27Å; E810-P844 WeakPolarHBondContact O-CA 3.2Å
845	W	97.8	Very high	97	Very high	116 Å²	116	74 Å²	74	44%	0.439	37%	0.365	S	S	.	.			trans	-147.8	103	175.6	-162.9	17.3	0	0	0	107.3	E810 K843 V850 E853 K854	E810-W845 PolarHBondContact O-N 3.42Å; K843-W845 PolarHBondContact O-N 2.78Å; W845-V850 HydrophobicContact CB-CG2 4.16Å; W845-V850 HydrophobicContact CD2-CG2 3.51Å; W845-V850 HydrophobicContact CE3-CG2 3.86Å; W845-V850 HydrophobicContact CG-CG2 3.62Å; W845-E853 HydrophobicContact CZ2-CB 4.13Å; W845-E853 PolarHBondContact NE1-OE2 2.61Å; W845-K854 HydrophobicContact CH2-CB 3.87Å; W845-K854 HydrophobicContact CH2-CG 4.37Å; W845-K854 HydrophobicContact CZ2-CB 4.2Å
846	G	97.7	Very high	97.1	Very high	21 Å²	21	78 Å²	78	22%	0.216	38%	0.384	C	S	.	.			trans	-69	158.3	-171.6	0	0	0	0	0	112.8	F848 E849 V850	G846-F848 PolarHBondContact O-N 2.99Å; G846-E849 VanDerWaalsContact C-OE2 3.28Å; G846-E849 WeakPolarHBondContact CA-OE2 3.44Å; G846-E849 PolarHBondContact O-N 3.31Å; G846-V850 WeakPolarHBondContact O-CB 3.18Å; G846-V850 WeakPolarHBondContact O-CG2 3.33Å; G846-V850 PolarHBondContact O-N 3.21Å
847	L	98.2	Very high	97.2	Very high	4 Å²	4	78.8 Å²	78.8	2%	0.021	39%	0.386	C	S	.	.	H	α-helix	trans	-58.7	-35.8	-175.8	-178.3	58.7	0	0	0	113.1	F781 L789 L811 L851 L869 L870 L873	F781-L847 HydrophobicContact CD2-CD1 3.92Å; F781-L847 HydrophobicContact CE2-CD1 3.79Å; L789-L847 HydrophobicContact CD1-CD1 4.2Å; L811-L847 HydrophobicContact CD1-CB 3.97Å; L811-L847 HydrophobicContact CD1-CD1 4.28Å; L811-L847 HydrophobicContact CG-CB 4.42Å; L847-L851 HydrophobicContact CD1-CD1 4.38Å; L847-L851 HydrophobicContact CG-CD1 4.33Å; L847-L851 VanDerWaalsContact O-CG 3.3Å; L847-L851 WeakPolarHBondContact O-CG 3.36Å; L847-L851 PolarHBondContact O-N 3.32Å; L847-L851 VanDerWaalsContact O-N 3.07Å; L847-L869 HydrophobicContact CD2-CB 3.71Å; L847-L869 HydrophobicContact CD2-CD1 4.02Å; L847-L870 HydrophobicContact CD2-CG 4.4Å; L847-L873 HydrophobicContact CD2-CD1 4.29Å
848	F	98.4	Very high	97.2	Very high	62 Å²	62	76.3 Å²	76.3	27%	0.272	39%	0.385	S	S	.	.	H	α-helix	trans	-68.4	-47.4	177.6	172.6	-105.1	0	0	0	111.7	G846 L851 L852 L859 A862 A863 S866	G846-F848 PolarHBondContact O-N 2.99Å; F848-L851 PolarHBondContact O-N 3.45Å; F848-L852 HydrophobicContact CE1-CD2 4.18Å; F848-L852 HydrophobicContact CZ-CD2 4.16Å; F848-L852 WeakPolarHBondContact O-CB 3.21Å; F848-L852 PolarHBondContact O-N 3.24Å; F848-L859 HydrophobicContact CZ-CG 4.17Å; F848-A862 HydrophobicContact CD2-CB 3.92Å; F848-A862 HydrophobicContact CE2-CB 3.89Å; F848-A863 HydrophobicContact CD2-CB 4.31Å; F848-A863 HydrophobicContact CE2-CB 3.95Å; F848-S866 VanDerWaalsContact CA-OG 3.27Å; F848-S866 WeakPolarHBondContact CA-OG 3.23Å; F848-S866 PolarHBondContact N-OG 3.25Å
849	E	98.4	Very high	97.3	Very high	82 Å²	82	76.6 Å²	76.6	38%	0.383	39%	0.389	S	S	.	.	H	α-helix	trans	-62.3	-42.9	176.4	-64.4	73.7	-165.1	0	0	110.9	G846 L851 L852 E853	G846-E849 VanDerWaalsContact C-OE2 3.28Å; G846-E849 WeakPolarHBondContact CA-OE2 3.44Å; G846-E849 PolarHBondContact O-N 3.31Å; E849-L851 PolarHBondContact O-N 2.85Å; E849-L852 PolarHBondContact O-N 3.07Å; E849-E853 WeakPolarHBondContact O-CB 3.46Å; E849-E853 WeakPolarHBondContact O-CG 3.45Å; E849-E853 PolarHBondContact O-N 3.26Å
850	V	98.2	Very high	97.3	Very high	15 Å²	15	80.7 Å²	80.7	9%	0.091	41%	0.412	C	S	.	.	H	α-helix	trans	-58.3	-46.6	174.6	165.7	0	0	0	0	111.6	F781 W845 G846 K854 Y855	F781-V850 HydrophobicContact CZ-CG1 4.42Å; W845-V850 HydrophobicContact CB-CG2 4.16Å; W845-V850 HydrophobicContact CD2-CG2 3.51Å; W845-V850 HydrophobicContact CE3-CG2 3.86Å; W845-V850 HydrophobicContact CG-CG2 3.62Å; G846-V850 WeakPolarHBondContact O-CB 3.18Å; G846-V850 WeakPolarHBondContact O-CG2 3.33Å; G846-V850 PolarHBondContact O-N 3.21Å; V850-K854 WeakPolarHBondContact O-CB 3.38Å; V850-K854 PolarHBondContact O-N 3.42Å; V850-Y855 HydrophobicContact CG1-CD2 4.23Å; V850-Y855 HydrophobicContact CG1-CE2 3.73Å; V850-Y855 WeakPolarHBondContact O-CD2 3.25Å
851	L	98.6	Very high	97.6	Very high	0 Å²	0	80 Å²	80	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-64.4	-42.9	178.2	-72	167.9	0	0	0	112.3	F781 T785 L847 F848 E849 Y855 E856 W857 A862 F865	F781-L851 HydrophobicContact CE2-CD2 4.11Å; T785-L851 HydrophobicContact CG2-CD2 4.17Å; L847-L851 HydrophobicContact CD1-CD1 4.38Å; L847-L851 HydrophobicContact CG-CD1 4.33Å; L847-L851 VanDerWaalsContact O-CG 3.3Å; L847-L851 WeakPolarHBondContact O-CG 3.36Å; L847-L851 PolarHBondContact O-N 3.32Å; L847-L851 VanDerWaalsContact O-N 3.07Å; F848-L851 PolarHBondContact O-N 3.45Å; E849-L851 PolarHBondContact O-N 2.85Å; L851-Y855 HydrophobicContact CD2-CD2 4.28Å; L851-E856 PolarHBondContact O-N 3.05Å; L851-W857 HydrophobicContact CB-CB 4.45Å; L851-W857 HydrophobicContact CB-CG 4.46Å; L851-W857 HydrophobicContact CD2-CD2 4Å; L851-W857 HydrophobicContact CD2-CE3 4.2Å; L851-W857 HydrophobicContact CD2-CH2 4.35Å; L851-W857 HydrophobicContact CD2-CZ2 4.17Å; L851-W857 HydrophobicContact CD2-CZ3 4.38Å; L851-W857 WeakPolarHBondContact O-CB 3.49Å; L851-W857 PolarHBondContact O-N 2.92Å; L851-W857 VanDerWaalsContact O-N 3.08Å; L851-A862 HydrophobicContact CB-CB 3.84Å; L851-F865 HydrophobicContact CD1-CB 4.47Å; L851-F865 HydrophobicContact CD1-CD1 3.79Å; L851-F865 HydrophobicContact CD2-CD1 4.25Å
852	L	98.1	Very high	97.8	Very high	66 Å²	66	73.4 Å²	73.4	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-72.5	-42.6	-178.8	-177.1	62.5	0	0	0	113.2	F848 E849 E856 W857	F848-L852 HydrophobicContact CE1-CD2 4.18Å; F848-L852 HydrophobicContact CZ-CD2 4.16Å; F848-L852 WeakPolarHBondContact O-CB 3.21Å; F848-L852 PolarHBondContact O-N 3.24Å; E849-L852 PolarHBondContact O-N 3.07Å; L852-E856 WeakPolarHBondContact O-CA 3.36Å; L852-W857 WeakPolarHBondContact CD1-O 3.3Å
853	E	98	Very high	98	Very high	126 Å²	126	72.6 Å²	72.6	59%	0.589	36%	0.364	S	S	*	.	H	α-helix	trans	-96.9	-34.3	-169.6	-60.5	-178.8	147.2	0	0	114	W845 E849	W845-E853 HydrophobicContact CZ2-CB 4.13Å; W845-E853 PolarHBondContact NE1-OE2 2.61Å; E849-E853 WeakPolarHBondContact O-CB 3.46Å; E849-E853 WeakPolarHBondContact O-CG 3.45Å; E849-E853 PolarHBondContact O-N 3.26Å
854	K	98	Very high	98	Very high	96 Å²	96	68.3 Å²	68.3	42%	0.417	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-41.7	178.5	-172.2	-168.6	161.6	-165	0	112.1	D787 W845 V850	D787-K854 IonicContact OD2-NZ 3.58Å; D787-K854 PolarHBondContact OD2-NZ 2.72Å; W845-K854 HydrophobicContact CH2-CB 3.87Å; W845-K854 HydrophobicContact CH2-CG 4.37Å; W845-K854 HydrophobicContact CZ2-CB 4.2Å; V850-K854 WeakPolarHBondContact O-CB 3.38Å; V850-K854 PolarHBondContact O-N 3.42Å
855	Y	98.1	Very high	98.1	Very high	49 Å²	49	63.1 Å²	63.1	19%	0.192	31%	0.312	C	S	.	.	S	Bend	trans	-106	2.9	-173.3	-55.5	-79.5	0	0	0	113.7	F781 T785 D787 V850 L851 W857	F781-Y855 HydrophobicContact CE2-CE2 4.22Å; F781-Y855 AromaticContact CZ-CE2 3.67Å; F781-Y855 HydrophobicContact CZ-CE2 3.67Å; F781-Y855 AromaticContact CZ-CZ 3.9Å; F781-Y855 WeakPolarHBondContact CZ-OH 3.3Å; T785-Y855 HydrophobicContact CG2-CD1 4.21Å; T785-Y855 HydrophobicContact CG2-CD2 4.12Å; T785-Y855 HydrophobicContact CG2-CE1 4.05Å; T785-Y855 HydrophobicContact CG2-CE2 3.92Å; T785-Y855 HydrophobicContact CG2-CG 4.23Å; D787-Y855 HydrophobicContact CB-CE1 4.44Å; D787-Y855 WeakPolarHBondContact CB-OH 3.3Å; D787-Y855 PolarHBondContact OD2-OH 2.94Å; V850-Y855 HydrophobicContact CG1-CD2 4.23Å; V850-Y855 HydrophobicContact CG1-CE2 3.73Å; V850-Y855 WeakPolarHBondContact O-CD2 3.25Å; L851-Y855 HydrophobicContact CD2-CD2 4.28Å; Y855-W857 PolarHBondContact O-N 3.46Å
856	E	98.2	Very high	98.1	Very high	173 Å²	173	57.8 Å²	57.8	81%	0.808	29%	0.293	S	S	*	.			trans	56.2	30.1	178	-54.4	-172.9	165	0	0	113.9	L851 L852	L851-E856 PolarHBondContact O-N 3.05Å; L852-E856 WeakPolarHBondContact O-CA 3.36Å
857	W	98.4	Very high	98.2	Very high	31 Å²	31	61.4 Å²	61.4	12%	0.117	31%	0.307	C	S	.	.			trans	-66.3	143.8	-177.6	-82.8	34.3	0	0	0	112.6	L529 A784 L851 L852 Y855 L859 Q861 A862 F865	L529-W857 HydrophobicContact CD1-CH2 3.54Å; L529-W857 HydrophobicContact CD1-CZ2 4.41Å; L529-W857 HydrophobicContact CD1-CZ3 4.05Å; L529-W857 HydrophobicContact CD2-CH2 4.46Å; L529-W857 HydrophobicContact CD2-CZ3 4.22Å; A784-W857 HydrophobicContact CB-CH2 3.81Å; A784-W857 HydrophobicContact CB-CZ2 3.82Å; L851-W857 HydrophobicContact CB-CB 4.45Å; L851-W857 HydrophobicContact CB-CG 4.46Å; L851-W857 HydrophobicContact CD2-CD2 4Å; L851-W857 HydrophobicContact CD2-CE3 4.2Å; L851-W857 HydrophobicContact CD2-CH2 4.35Å; L851-W857 HydrophobicContact CD2-CZ2 4.17Å; L851-W857 HydrophobicContact CD2-CZ3 4.38Å; L851-W857 WeakPolarHBondContact O-CB 3.49Å; L851-W857 PolarHBondContact O-N 2.92Å; L851-W857 VanDerWaalsContact O-N 3.08Å; L852-W857 WeakPolarHBondContact CD1-O 3.3Å; Y855-W857 PolarHBondContact O-N 3.46Å; W857-L859 PolarHBondContact O-N 3.34Å; W857-Q861 HydrophobicContact CE3-CB 4.03Å; W857-A862 HydrophobicContact CB-CB 4.1Å; W857-F865 HydrophobicContact CE3-CD1 4.41Å; W857-F865 AromaticContact CH2-CD1 3.34Å; W857-F865 HydrophobicContact CH2-CD1 3.34Å; W857-F865 AromaticContact CH2-CE1 3.59Å; W857-F865 HydrophobicContact CH2-CE1 3.59Å; W857-F865 HydrophobicContact CH2-CG 4.1Å; W857-F865 HydrophobicContact CZ2-CD1 4.4Å; W857-F865 HydrophobicContact CZ2-CE1 4.42Å; W857-F865 HydrophobicContact CZ3-CB 3.81Å; W857-F865 AromaticContact CZ3-CD1 3.36Å; W857-F865 HydrophobicContact CZ3-CD1 3.36Å; W857-F865 HydrophobicContact CZ3-CE1 4.12Å; W857-F865 AromaticContact CZ3-CG 3.84Å; W857-F865 HydrophobicContact CZ3-CG 3.84Å
858	P	98.3	Very high	98.2	Very high	71 Å²	71	61.2 Å²	61.2	46%	0.461	31%	0.306	S	S	.	.			trans	-56.5	134.3	169.3	-23.2	33.7	0	0	0	111.2	D860 Q861 A862	P858-D860 VanDerWaalsContact C-N 3.28Å; P858-D860 PolarHBondContact O-N 3.06Å; P858-D860 VanDerWaalsContact O-N 3.13Å; P858-Q861 HydrophobicContact CB-CG 4.27Å; P858-Q861 WeakPolarHBondContact O-CA 3.46Å; P858-Q861 WeakPolarHBondContact O-CB 3.39Å; P858-Q861 PolarHBondContact O-N 2.93Å; P858-A862 PolarHBondContact O-N 3.06Å
859	L	98	Very high	98.2	Very high	102 Å²	102	58.3 Å²	58.3	53%	0.534	29%	0.293	S	S	.	.	H	α-helix	trans	-48	-46	-173.8	-177.1	150.1	0	0	0	113.3	F848 W857 Q861 A862 A863	F848-L859 HydrophobicContact CZ-CG 4.17Å; W857-L859 PolarHBondContact O-N 3.34Å; L859-Q861 VanDerWaalsContact C-N 3.31Å; L859-Q861 PolarHBondContact O-N 3.11Å; L859-A862 PolarHBondContact O-N 3.32Å; L859-A863 VanDerWaalsContact O-CB 3.28Å; L859-A863 WeakPolarHBondContact O-CB 3.26Å; L859-A863 PolarHBondContact O-N 3.18Å
860	D	97.1	Very high	98.3	Very high	113 Å²	113	58.3 Å²	58.3	60%	0.604	30%	0.296	S	S	*	.	H	α-helix	trans	-66.4	-31.4	-179.3	-57	-43.3	0	0	0	113	P858 Q864	P858-D860 VanDerWaalsContact C-N 3.28Å; P858-D860 PolarHBondContact O-N 3.06Å; P858-D860 VanDerWaalsContact O-N 3.13Å; D860-Q864 WeakPolarHBondContact O-CB 3.36Å; D860-Q864 VanDerWaalsContact O-CG 3.23Å; D860-Q864 WeakPolarHBondContact O-CG 3.48Å; D860-Q864 PolarHBondContact O-N 2.67Å; D860-Q864 PolarHBondContact O-NE2 2.79Å
861	Q	97.4	Very high	98.3	Very high	86 Å²	86	59.9 Å²	59.9	40%	0.402	31%	0.305	S	S	.	.	H	α-helix	trans	-78.6	-43.3	177.4	-62.7	-174.5	19.3	0	0	111	L529 W857 P858 L859 A863 F865	L529-Q861 HydrophobicContact CD2-CB 4.47Å; W857-Q861 HydrophobicContact CE3-CB 4.03Å; P858-Q861 HydrophobicContact CB-CG 4.27Å; P858-Q861 WeakPolarHBondContact O-CA 3.46Å; P858-Q861 WeakPolarHBondContact O-CB 3.39Å; P858-Q861 PolarHBondContact O-N 2.93Å; L859-Q861 VanDerWaalsContact C-N 3.31Å; L859-Q861 PolarHBondContact O-N 3.11Å; Q861-A863 VanDerWaalsContact C-N 3.32Å; Q861-A863 PolarHBondContact O-N 3.33Å; Q861-F865 VanDerWaalsContact O-CB 3.25Å; Q861-F865 WeakPolarHBondContact O-CB 3.36Å; Q861-F865 PolarHBondContact O-N 3.32Å
862	A	98.4	Very high	98.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.2	-45.6	173.8	0	0	0	0	0	110.9	F848 L851 W857 P858 L859 S866	F848-A862 HydrophobicContact CD2-CB 3.92Å; F848-A862 HydrophobicContact CE2-CB 3.89Å; L851-A862 HydrophobicContact CB-CB 3.84Å; W857-A862 HydrophobicContact CB-CB 4.1Å; P858-A862 PolarHBondContact O-N 3.06Å; L859-A862 PolarHBondContact O-N 3.32Å; A862-S866 VanDerWaalsContact O-CB 3.26Å; A862-S866 WeakPolarHBondContact O-CB 3.5Å; A862-S866 PolarHBondContact O-N 2.98Å; A862-S866 PolarHBondContact O-OG 3.43Å
863	A	98.3	Very high	98.3	Very high	39 Å²	39	56.8 Å²	56.8	32%	0.322	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-57.1	176.9	0	0	0	0	0	112.7	F848 L859 Q861 F865 S866 D867	F848-A863 HydrophobicContact CD2-CB 4.31Å; F848-A863 HydrophobicContact CE2-CB 3.95Å; L859-A863 VanDerWaalsContact O-CB 3.28Å; L859-A863 WeakPolarHBondContact O-CB 3.26Å; L859-A863 PolarHBondContact O-N 3.18Å; Q861-A863 VanDerWaalsContact C-N 3.32Å; Q861-A863 PolarHBondContact O-N 3.33Å; A863-F865 VanDerWaalsContact C-N 3.29Å; A863-F865 PolarHBondContact O-N 2.91Å; A863-S866 PolarHBondContact O-N 2.97Å; A863-D867 VanDerWaalsContact O-CB 3.32Å; A863-D867 WeakPolarHBondContact O-CB 3.23Å; A863-D867 PolarHBondContact O-N 2.73Å
864	Q	98.3	Very high	98.3	Very high	74 Å²	74	54.1 Å²	54.1	35%	0.346	28%	0.277	S	S	.	.	H	α-helix	trans	-63.5	-32.3	-177.3	-69.1	169.3	62.8	0	0	113.3	D860 F868 T894	D860-Q864 WeakPolarHBondContact O-CB 3.36Å; D860-Q864 VanDerWaalsContact O-CG 3.23Å; D860-Q864 WeakPolarHBondContact O-CG 3.48Å; D860-Q864 PolarHBondContact O-N 2.67Å; D860-Q864 PolarHBondContact O-NE2 2.79Å; Q864-F868 PolarHBondContact O-N 3.03Å; Q864-T894 PolarHBondContact OE1-OG1 3.2Å; Q864-T894 VanDerWaalsContact OE1-OG1 3.13Å
865	F	98.6	Very high	98.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-78.1	-36	177.9	-170.7	-137.6	0	0	0	112.1	A780 A784 L851 W857 Q861 A863 F868 L869 W891	A780-F865 HydrophobicContact CB-CE2 4.47Å; A780-F865 HydrophobicContact CB-CZ 4.49Å; A784-F865 HydrophobicContact CB-CE1 3.81Å; A784-F865 HydrophobicContact CB-CZ 3.81Å; L851-F865 HydrophobicContact CD1-CB 4.47Å; L851-F865 HydrophobicContact CD1-CD1 3.79Å; L851-F865 HydrophobicContact CD2-CD1 4.25Å; W857-F865 HydrophobicContact CE3-CD1 4.41Å; W857-F865 AromaticContact CH2-CD1 3.34Å; W857-F865 HydrophobicContact CH2-CD1 3.34Å; W857-F865 AromaticContact CH2-CE1 3.59Å; W857-F865 HydrophobicContact CH2-CE1 3.59Å; W857-F865 HydrophobicContact CH2-CG 4.1Å; W857-F865 HydrophobicContact CZ2-CD1 4.4Å; W857-F865 HydrophobicContact CZ2-CE1 4.42Å; W857-F865 HydrophobicContact CZ3-CB 3.81Å; W857-F865 AromaticContact CZ3-CD1 3.36Å; W857-F865 HydrophobicContact CZ3-CD1 3.36Å; W857-F865 HydrophobicContact CZ3-CE1 4.12Å; W857-F865 AromaticContact CZ3-CG 3.84Å; W857-F865 HydrophobicContact CZ3-CG 3.84Å; Q861-F865 VanDerWaalsContact O-CB 3.25Å; Q861-F865 WeakPolarHBondContact O-CB 3.36Å; Q861-F865 PolarHBondContact O-N 3.32Å; A863-F865 VanDerWaalsContact C-N 3.29Å; A863-F865 PolarHBondContact O-N 2.91Å; F865-F868 HydrophobicContact CD2-CD1 4.34Å; F865-F868 HydrophobicContact CE2-CD1 4.47Å; F865-L869 HydrophobicContact CD1-CD1 4.1Å; F865-L869 HydrophobicContact CD2-CD1 4.17Å; F865-L869 HydrophobicContact CD2-CG 4.05Å; F865-L869 HydrophobicContact CE1-CD1 3.72Å; F865-L869 HydrophobicContact CE2-CD1 3.8Å; F865-L869 HydrophobicContact CE2-CD2 4.03Å; F865-L869 HydrophobicContact CE2-CG 3.85Å; F865-L869 HydrophobicContact CG-CD1 4.33Å; F865-L869 HydrophobicContact CZ-CD1 3.58Å; F865-L869 HydrophobicContact CZ-CD2 4.39Å; F865-L869 HydrophobicContact CZ-CG 4.16Å; F865-L869 WeakPolarHBondContact O-CB 3.33Å; F865-L869 WeakPolarHBondContact O-CG 3.07Å; F865-L869 PolarHBondContact O-N 3.33Å; F865-W891 HydrophobicContact CD2-CD2 4.19Å; F865-W891 AromaticContact CD2-CE2 3.47Å; F865-W891 VanDerWaalsContact CD2-CE2 3.47Å; F865-W891 AromaticContact CD2-CH2 3.89Å; F865-W891 HydrophobicContact CD2-CH2 3.89Å; F865-W891 AromaticContact CD2-CZ2 3.31Å; F865-W891 HydrophobicContact CD2-CZ2 3.31Å; F865-W891 AromaticContact CD2-NE1 3.77Å; F865-W891 AromaticContact CE2-CH2 3.65Å; F865-W891 HydrophobicContact CE2-CH2 3.65Å; F865-W891 AromaticContact CE2-CZ2 3.49Å; F865-W891 HydrophobicContact CE2-CZ2 3.49Å; F865-W891 VanDerWaalsContact CE2-CZ2 3.49Å; F865-W891 HydrophobicContact CE2-CZ3 4.39Å; F865-W891 HydrophobicContact CG-CZ2 4.28Å
866	S	98.6	Very high	98.2	Very high	4 Å²	4	50.2 Å²	50.2	3%	0.028	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-47.3	173.7	-57.7	0	0	0	0	111.2	F848 A862 A863 F868 L869 L870	F848-S866 VanDerWaalsContact CA-OG 3.27Å; F848-S866 WeakPolarHBondContact CA-OG 3.23Å; F848-S866 PolarHBondContact N-OG 3.25Å; A862-S866 VanDerWaalsContact O-CB 3.26Å; A862-S866 WeakPolarHBondContact O-CB 3.5Å; A862-S866 PolarHBondContact O-N 2.98Å; A862-S866 PolarHBondContact O-OG 3.43Å; A863-S866 PolarHBondContact O-N 2.97Å; S866-F868 VanDerWaalsContact C-N 3.34Å; S866-F868 PolarHBondContact O-N 2.97Å; S866-L869 PolarHBondContact O-N 2.81Å; S866-L870 VanDerWaalsContact O-CB 3.32Å; S866-L870 WeakPolarHBondContact O-CB 3.38Å; S866-L870 WeakPolarHBondContact O-CD1 3.3Å; S866-L870 WeakPolarHBondContact O-CG 3.41Å; S866-L870 PolarHBondContact O-N 2.99Å
867	D	98.5	Very high	98.2	Very high	97 Å²	97	42.8 Å²	42.8	52%	0.519	23%	0.229	S	C	.	.	H	α-helix	trans	-51.2	-51.7	175	-176.6	55.4	0	0	0	111.2	A863 H889	A863-D867 VanDerWaalsContact O-CB 3.32Å; A863-D867 WeakPolarHBondContact O-CB 3.23Å; A863-D867 PolarHBondContact O-N 2.73Å; D867-H889 IonicContact OD2-CE1 3.16Å; D867-H889 PolarHBondContact OD2-CE1 2.7Å; D867-H889 IonicContact OD2-NE2 3.9Å; D867-H889 PolarHBondContact OD2-NE2 3.16Å
868	F	98.8	Very high	98.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-55.7	174.7	176.5	-118.1	0	0	0	113.2	I536 L540 Q864 F865 S866 L870 T871 M872 C886 H889 W891 L892	I536-F868 HydrophobicContact CG2-CE1 4.09Å; I536-F868 HydrophobicContact CG2-CZ 3.97Å; L540-F868 HydrophobicContact CD1-CE2 4.49Å; L540-F868 HydrophobicContact CD1-CZ 4.02Å; Q864-F868 PolarHBondContact O-N 3.03Å; F865-F868 HydrophobicContact CD2-CD1 4.34Å; F865-F868 HydrophobicContact CE2-CD1 4.47Å; S866-F868 VanDerWaalsContact C-N 3.34Å; S866-F868 PolarHBondContact O-N 2.97Å; F868-L870 VanDerWaalsContact C-N 3.35Å; F868-L870 PolarHBondContact O-N 3.18Å; F868-T871 PolarHBondContact O-N 3.28Å; F868-T871 PolarHBondContact O-OG1 2.71Å; F868-M872 HydrophobicContact CD1-SD 4.3Å; F868-M872 HydrophobicContact CD2-SD 4.47Å; F868-M872 HydrophobicContact CE1-SD 3.71Å; F868-M872 HydrophobicContact CE2-SD 3.93Å; F868-M872 HydrophobicContact CZ-SD 3.52Å; F868-M872 VanDerWaalsContact CZ-SD 3.52Å; F868-C886 HydrophobicContact CE2-CB 4.25Å; F868-H889 VanDerWaalsContact CA-CE1 3.44Å; F868-H889 WeakPolarHBondContact CA-CE1 3.13Å; F868-H889 HydrophobicContact CD2-CB 3.73Å; F868-H889 AromaticContact CD2-CG 3.59Å; F868-H889 AromaticContact CD2-ND1 3.53Å; F868-H889 HydrophobicContact CE2-CB 4.05Å; F868-H889 PolarHBondContact N-CE1 3.3Å; F868-W891 HydrophobicContact CB-CB 3.94Å; F868-W891 HydrophobicContact CB-CD2 4.33Å; F868-W891 HydrophobicContact CB-CE3 4.41Å; F868-W891 HydrophobicContact CB-CG 4.14Å; F868-W891 AromaticContact CD1-CD2 3.91Å; F868-W891 HydrophobicContact CD1-CD2 3.91Å; F868-W891 AromaticContact CD1-CE3 3.29Å; F868-W891 HydrophobicContact CD1-CE3 3.29Å; F868-W891 HydrophobicContact CD1-CH2 4.42Å; F868-W891 AromaticContact CD1-CZ3 3.6Å; F868-W891 HydrophobicContact CD1-CZ3 3.6Å; F868-W891 HydrophobicContact CD2-CE3 4.25Å; F868-W891 HydrophobicContact CE1-CD2 4.44Å; F868-W891 AromaticContact CE1-CE3 3.42Å; F868-W891 HydrophobicContact CE1-CE3 3.42Å; F868-W891 VanDerWaalsContact CE1-CE3 3.42Å; F868-W891 HydrophobicContact CE1-CH2 4.31Å; F868-W891 AromaticContact CE1-CZ3 3.34Å; F868-W891 HydrophobicContact CE1-CZ3 3.34Å; F868-W891 HydrophobicContact CE2-CE3 4.33Å; F868-W891 HydrophobicContact CG-CB 4.26Å; F868-W891 HydrophobicContact CG-CD2 4.15Å; F868-W891 AromaticContact CG-CE3 3.74Å; F868-W891 HydrophobicContact CG-CE3 3.74Å; F868-W891 HydrophobicContact CG-CG 4.38Å; F868-W891 HydrophobicContact CG-CZ3 4.46Å; F868-W891 AromaticContact CZ-CE3 3.94Å; F868-W891 HydrophobicContact CZ-CE3 3.94Å; F868-W891 HydrophobicContact CZ-CZ3 4.02Å; F868-L892 HydrophobicContact CE2-CD1 4.2Å; F868-L892 HydrophobicContact CE2-CG 4.15Å; F868-L892 HydrophobicContact CZ-CD1 4.31Å; F868-L892 HydrophobicContact CZ-CD2 4.11Å; F868-L892 HydrophobicContact CZ-CG 4.2Å
869	L	98.9	Very high	98.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.7	-32.8	-174.2	-70.5	-176.2	0	0	0	113.1	A777 A780 F781 L847 F865 S866 T871 M872 L873	A777-L869 HydrophobicContact CB-CD2 4.14Å; A780-L869 HydrophobicContact CB-CD2 3.83Å; F781-L869 HydrophobicContact CB-CD1 4.21Å; F781-L869 HydrophobicContact CD2-CD1 4.46Å; L847-L869 HydrophobicContact CD2-CB 3.71Å; L847-L869 HydrophobicContact CD2-CD1 4.02Å; F865-L869 HydrophobicContact CD1-CD1 4.1Å; F865-L869 HydrophobicContact CD2-CD1 4.17Å; F865-L869 HydrophobicContact CD2-CG 4.05Å; F865-L869 HydrophobicContact CE1-CD1 3.72Å; F865-L869 HydrophobicContact CE2-CD1 3.8Å; F865-L869 HydrophobicContact CE2-CD2 4.03Å; F865-L869 HydrophobicContact CE2-CG 3.85Å; F865-L869 HydrophobicContact CG-CD1 4.33Å; F865-L869 HydrophobicContact CZ-CD1 3.58Å; F865-L869 HydrophobicContact CZ-CD2 4.39Å; F865-L869 HydrophobicContact CZ-CG 4.16Å; F865-L869 WeakPolarHBondContact O-CB 3.33Å; F865-L869 WeakPolarHBondContact O-CG 3.07Å; F865-L869 PolarHBondContact O-N 3.33Å; S866-L869 PolarHBondContact O-N 2.81Å; L869-T871 VanDerWaalsContact C-N 3.3Å; L869-T871 PolarHBondContact O-N 3.31Å; L869-M872 HydrophobicContact CD2-SD 4.46Å; L869-M872 CarbonylContact O-C 3.54Å; L869-M872 WeakPolarHBondContact O-CA 3.41Å; L869-M872 WeakPolarHBondContact O-CB 3.31Å; L869-M872 PolarHBondContact O-N 2.92Å; L869-L873 HydrophobicContact CB-CD1 4.29Å; L869-L873 WeakPolarHBondContact O-CB 3.21Å; L869-L873 WeakPolarHBondContact O-CG 3.27Å; L869-L873 PolarHBondContact O-N 2.78Å
870	L	98.8	Very high	98.1	Very high	83 Å²	83	49.8 Å²	49.8	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-64.3	-34.4	178.9	-73	168.9	0	0	0	111.9	L812 L847 S866 F868 M872 L873 E874	L812-L870 HydrophobicContact CD2-CD2 3.75Å; L847-L870 HydrophobicContact CD2-CG 4.4Å; S866-L870 VanDerWaalsContact O-CB 3.32Å; S866-L870 WeakPolarHBondContact O-CB 3.38Å; S866-L870 WeakPolarHBondContact O-CD1 3.3Å; S866-L870 WeakPolarHBondContact O-CG 3.41Å; S866-L870 PolarHBondContact O-N 2.99Å; F868-L870 VanDerWaalsContact C-N 3.35Å; F868-L870 PolarHBondContact O-N 3.18Å; L870-M872 PolarHBondContact O-N 3Å; L870-L873 PolarHBondContact O-N 3.3Å; L870-E874 PolarHBondContact O-N 2.87Å
871	T	98.6	Very high	98.2	Very high	48 Å²	48	45 Å²	45	29%	0.294	23%	0.227	S	C	.	.	H	α-helix	trans	-63.2	-27.1	172.2	71.8	0	0	0	0	113.1	F868 L869 A881	F868-T871 PolarHBondContact O-N 3.28Å; F868-T871 PolarHBondContact O-OG1 2.71Å; L869-T871 VanDerWaalsContact C-N 3.3Å; L869-T871 PolarHBondContact O-N 3.31Å; T871-A881 WeakPolarHBondContact O-CB 3.45Å; T871-A881 PolarHBondContact O-N 3.35Å
872	M	98.9	Very high	98.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-92.3	-15.3	179.5	-58.8	177.6	66.7	0	0	113.4	L540 I773 T776 A777 F868 L869 L870 R880	L540-M872 HydrophobicContact CD2-CE 4.16Å; I773-M872 HydrophobicContact CG2-CB 3.78Å; I773-M872 HydrophobicContact CG2-CE 3.92Å; I773-M872 HydrophobicContact CG2-CG 3.93Å; T776-M872 HydrophobicContact CG2-CE 3.81Å; A777-M872 HydrophobicContact CB-CB 3.72Å; A777-M872 HydrophobicContact CB-CE 4.26Å; F868-M872 HydrophobicContact CD1-SD 4.3Å; F868-M872 HydrophobicContact CD2-SD 4.47Å; F868-M872 HydrophobicContact CE1-SD 3.71Å; F868-M872 HydrophobicContact CE2-SD 3.93Å; F868-M872 HydrophobicContact CZ-SD 3.52Å; F868-M872 VanDerWaalsContact CZ-SD 3.52Å; L869-M872 HydrophobicContact CD2-SD 4.46Å; L869-M872 CarbonylContact O-C 3.54Å; L869-M872 WeakPolarHBondContact O-CA 3.41Å; L869-M872 WeakPolarHBondContact O-CB 3.31Å; L869-M872 PolarHBondContact O-N 2.92Å; L870-M872 PolarHBondContact O-N 3Å; M872-R880 WeakPolarHBondContact O-CD 3.49Å; M872-R880 WeakPolarHBondContact O-CG 3.33Å
873	L	98.8	Very high	98.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-105.4	5.4	-179.6	-70	169.7	0	0	0	113.2	W774 A777 L789 F790 L811 L812 L847 L869 L870 M875	W774-L873 HydrophobicContact CD2-CD2 4.05Å; W774-L873 HydrophobicContact CE3-CD2 4.11Å; W774-L873 HydrophobicContact CH2-CD2 4.42Å; W774-L873 HydrophobicContact CZ2-CD2 4.37Å; W774-L873 HydrophobicContact CZ3-CD2 4.3Å; W774-L873 VanDerWaalsContact CZ3-O 3.26Å; W774-L873 WeakPolarHBondContact CZ3-O 3.41Å; A777-L873 HydrophobicContact CB-CD1 4.48Å; A777-L873 HydrophobicContact CB-CD2 3.74Å; A777-L873 HydrophobicContact CB-CG 3.8Å; L789-L873 HydrophobicContact CD2-CD1 3.83Å; L789-L873 HydrophobicContact CD2-CD2 4.06Å; F790-L873 HydrophobicContact CE2-CD2 4.44Å; L811-L873 HydrophobicContact CD2-CD1 4.43Å; L812-L873 HydrophobicContact CD1-CB 4.11Å; L812-L873 VanDerWaalsContact CD1-O 3.27Å; L812-L873 WeakPolarHBondContact CD1-O 3.5Å; L812-L873 HydrophobicContact CD2-CB 4.21Å; L812-L873 HydrophobicContact CD2-CD1 4.48Å; L847-L873 HydrophobicContact CD2-CD1 4.29Å; L869-L873 HydrophobicContact CB-CD1 4.29Å; L869-L873 WeakPolarHBondContact O-CB 3.21Å; L869-L873 WeakPolarHBondContact O-CG 3.27Å; L869-L873 PolarHBondContact O-N 2.78Å; L870-L873 PolarHBondContact O-N 3.3Å; L873-M875 PolarHBondContact O-N 2.93Å
874	E	98.3	Very high	98.3	Very high	69 Å²	69	43.9 Å²	43.9	32%	0.322	23%	0.226	S	C	.	.			trans	-49.9	132.2	173.6	177.7	56.6	-90.1	0	0	111.4	L870 R879 R880	L870-E874 PolarHBondContact O-N 2.87Å; E874-R879 HydrophobicContact CG-CB 3.57Å; E874-R880 HydrophobicContact CB-CB 4.1Å; E874-R880 HydrophobicContact CB-CG 4.3Å; E874-R880 PolarHBondContact O-NE 3.31Å; E874-R880 PolarHBondContact O-NH2 3.09Å
875	M	96.1	Very high	98.3	Very high	19 Å²	19	45.5 Å²	45.5	9%	0.094	23%	0.233	C	C	.	.	S	Bend	trans	-73.5	-37.7	-166.8	-73.8	-175.8	-86.6	0	0	112	L759 L812 L815 F819 L873 P877 R880	L759-M875 HydrophobicContact CD2-CB 4.06Å; L759-M875 HydrophobicContact CD2-CG 3.99Å; L759-M875 HydrophobicContact CD2-SD 4.34Å; L812-M875 HydrophobicContact CB-CE 4.41Å; L812-M875 HydrophobicContact CD1-CG 4.19Å; L815-M875 HydrophobicContact CB-SD 4.36Å; L815-M875 HydrophobicContact CD1-SD 3.87Å; L815-M875 HydrophobicContact CG-SD 3.82Å; F819-M875 WeakPolarHBondContact CE1-O 3.26Å; F819-M875 WeakPolarHBondContact CZ-O 3.31Å; L873-M875 PolarHBondContact O-N 2.93Å; M875-P877 WeakPolarHBondContact O-CD 3.21Å; M875-R880 PolarHBondContact O-NH2 3.13Å
876	E	96.8	Very high	98.3	Very high	44 Å²	44	45.5 Å²	45.5	21%	0.206	23%	0.234	C	C	.	.	S	Bend	trans	-85	116.4	177	-68.5	179.2	115.5	0	0	110.3	P816 F819 D878 R879 R880	P816-E876 HydrophobicContact CG-CG 4.26Å; F819-E876 HydrophobicContact CB-CG 4.17Å; F819-E876 HydrophobicContact CG-CG 4.17Å; E876-D878 VanDerWaalsContact C-N 3.26Å; E876-D878 PolarHBondContact O-N 3.46Å; E876-D878 VanDerWaalsContact O-N 3.13Å; E876-R879 HydrophobicContact CB-CB 4.45Å; E876-R879 HydrophobicContact CB-CG 4.4Å; E876-R879 PolarHBondContact O-N 3.39Å; E876-R879 WeakPolarHBondContact OE2-CD 3.23Å; E876-R879 IonicContact OE2-CZ 3.29Å; E876-R879 VanDerWaalsContact OE2-CZ 3.26Å; E876-R879 IonicContact OE2-NE 2.64Å; E876-R879 IonicContact OE2-NH1 2.82Å; E876-R879 PolarHBondContact OE2-NH1 3Å; E876-R880 PolarHBondContact O-N 3.26Å
877	P	97.9	Very high	98.3	Very high	18 Å²	18	46.3 Å²	46.3	12%	0.117	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-35.3	-172.7	-29.9	37.1	0	0	0	114.9	E760 P770 F819 M875 R879 R880	E760-P877 HydrophobicContact CB-CG 3.94Å; E760-P877 HydrophobicContact CG-CG 4.01Å; P770-P877 HydrophobicContact CB-CB 4.03Å; P770-P877 HydrophobicContact CG-CB 4.19Å; P770-P877 VanDerWaalsContact CG-O 3.3Å; P770-P877 WeakPolarHBondContact CG-O 3.17Å; F819-P877 HydrophobicContact CE2-CG 4.28Å; F819-P877 HydrophobicContact CZ-CG 4.19Å; M875-P877 WeakPolarHBondContact O-CD 3.21Å; P877-R879 PolarHBondContact O-N 2.92Å; P877-R880 PolarHBondContact O-N 2.86Å
878	D	96.9	Very high	98.3	Very high	166 Å²	166	48.8 Å²	48.8	89%	0.888	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.8	179.3	-62.5	-34.3	0	0	0	114	E876	E876-D878 VanDerWaalsContact C-N 3.26Å; E876-D878 PolarHBondContact O-N 3.46Å; E876-D878 VanDerWaalsContact O-N 3.13Å
879	R	97.7	Very high	98.3	Very high	177 Å²	177	50.3 Å²	50.3	67%	0.668	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-19.6	177.5	-68.7	-179.3	169.5	173.8	-6.8	113.3	E874 E876 P877	E874-R879 HydrophobicContact CG-CB 3.57Å; E876-R879 HydrophobicContact CB-CB 4.45Å; E876-R879 HydrophobicContact CB-CG 4.4Å; E876-R879 PolarHBondContact O-N 3.39Å; E876-R879 WeakPolarHBondContact OE2-CD 3.23Å; E876-R879 IonicContact OE2-CZ 3.29Å; E876-R879 VanDerWaalsContact OE2-CZ 3.26Å; E876-R879 IonicContact OE2-NE 2.64Å; E876-R879 IonicContact OE2-NH1 2.82Å; E876-R879 PolarHBondContact OE2-NH1 3Å; P877-R879 PolarHBondContact O-N 2.92Å
880	R	98.6	Very high	98.2	Very high	7 Å²	7	55.2 Å²	55.2	3%	0.026	28%	0.283	C	S	.	.	S	Bend	trans	-63.8	138.7	-179.5	-164.4	-179.1	-61.5	151.1	6.9	110.9	E760 P770 I773 M872 E874 M875 E876 P877 T882	E760-R880 IonicContact OE1-CZ 2.77Å; E760-R880 IonicContact OE1-NH1 3.08Å; E760-R880 PolarHBondContact OE1-NH1 3Å; E760-R880 IonicContact OE1-NH2 3.3Å; E760-R880 IonicContact OE2-CZ 2.86Å; E760-R880 IonicContact OE2-NH1 2.71Å; E760-R880 PolarHBondContact OE2-NH1 2.72Å; E760-R880 IonicContact OE2-NH2 2.64Å; E760-R880 PolarHBondContact OE2-NH2 3.38Å; P770-R880 VanDerWaalsContact C-NH1 3.34Å; P770-R880 HydrophobicContact CB-CB 4.31Å; P770-R880 WeakPolarHBondContact O-CD 3.44Å; P770-R880 PolarHBondContact O-NH1 2.97Å; I773-R880 HydrophobicContact CG2-CG 4.32Å; M872-R880 WeakPolarHBondContact O-CD 3.49Å; M872-R880 WeakPolarHBondContact O-CG 3.33Å; E874-R880 HydrophobicContact CB-CB 4.1Å; E874-R880 HydrophobicContact CB-CG 4.3Å; E874-R880 PolarHBondContact O-NE 3.31Å; E874-R880 PolarHBondContact O-NH2 3.09Å; M875-R880 PolarHBondContact O-NH2 3.13Å; E876-R880 PolarHBondContact O-N 3.26Å; P877-R880 PolarHBondContact O-N 2.86Å; R880-T882 PolarHBondContact O-N 3.44Å
881	A	98.8	Very high	98.2	Very high	12 Å²	12	51.4 Å²	51.4	10%	0.099	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-59.4	135.1	-177	0	0	0	0	0	111.7	I773 T871 Q885	I773-A881 WeakPolarHBondContact CG2-O 3.49Å; T871-A881 WeakPolarHBondContact O-CB 3.45Å; T871-A881 PolarHBondContact O-N 3.35Å; A881-Q885 HydrophobicContact CB-CB 4.35Å
882	T	98.9	Very high	98.1	Very high	70 Å²	70	49.5 Å²	49.5	43%	0.429	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-74.3	162.3	170.2	60.1	0	0	0	0	111.1	R880 A884 Q885 C886	R880-T882 PolarHBondContact O-N 3.44Å; T882-A884 VanDerWaalsContact C-N 3.33Å; T882-A884 PolarHBondContact O-N 3.01Å; T882-Q885 WeakPolarHBondContact O-CB 3.28Å; T882-Q885 PolarHBondContact O-N 3.09Å; T882-Q885 WeakPolarHBondContact OG1-CG 3.48Å; T882-Q885 PolarHBondContact OG1-N 2.79Å; T882-Q885 PolarHBondContact OG1-OE1 3.35Å; T882-C886 PolarHBondContact O-N 2.91Å; T882-C886 PolarHBondContact O-SG 3.29Å
883	A	98.8	Very high	97.7	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-55.2	-46	176.5	0	0	0	0	0	112.4	L540 L543 D544 I773 Q885 C886 L887	L540-A883 HydrophobicContact CD2-CB 4.38Å; L540-A883 WeakPolarHBondContact O-CB 3.45Å; L543-A883 HydrophobicContact CB-CB 4.11Å; D544-A883 HydrophobicContact CB-CB 3.69Å; I773-A883 HydrophobicContact CD1-CB 3.99Å; A883-Q885 VanDerWaalsContact C-N 3.29Å; A883-Q885 PolarHBondContact O-N 3.01Å; A883-C886 PolarHBondContact O-N 3.39Å; A883-L887 WeakPolarHBondContact O-CG 3.42Å; A883-L887 PolarHBondContact O-N 3.42Å
884	A	98.7	Very high	96.8	Very high	32 Å²	32	60.2 Å²	60.2	26%	0.264	31%	0.307	S	S	.	.	H	α-helix	trans	-55.2	-35.9	172.6	0	0	0	0	0	114.7	D544 T882 Q888	D544-A884 WeakPolarHBondContact OD1-CB 3.44Å; D544-A884 PolarHBondContact OD1-N 3.16Å; T882-A884 VanDerWaalsContact C-N 3.33Å; T882-A884 PolarHBondContact O-N 3.01Å; A884-Q888 WeakPolarHBondContact O-CG 3.39Å; A884-Q888 PolarHBondContact O-NE2 2.95Å
885	Q	98.8	Very high	96.7	Very high	107 Å²	107	59.8 Å²	59.8	50%	0.5	31%	0.306	S	S	.	.	H	α-helix	trans	-75.3	-42.4	175.9	-72.5	163.7	-61.1	0	0	111.2	A881 T882 A883 L887 Q888 H889	A881-Q885 HydrophobicContact CB-CB 4.35Å; T882-Q885 WeakPolarHBondContact O-CB 3.28Å; T882-Q885 PolarHBondContact O-N 3.09Å; T882-Q885 WeakPolarHBondContact OG1-CG 3.48Å; T882-Q885 PolarHBondContact OG1-N 2.79Å; T882-Q885 PolarHBondContact OG1-OE1 3.35Å; A883-Q885 VanDerWaalsContact C-N 3.29Å; A883-Q885 PolarHBondContact O-N 3.01Å; Q885-L887 VanDerWaalsContact C-N 3.26Å; Q885-L887 PolarHBondContact O-N 2.79Å; Q885-Q888 WeakPolarHBondContact O-CB 3.39Å; Q885-Q888 PolarHBondContact O-N 2.78Å; Q885-H889 PolarHBondContact O-N 2.97Å
886	C	98.8	Very high	96.7	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.007	32%	0.317	C	S	.	.	H	α-helix	trans	-59.2	-38.6	176.4	-59.8	0	0	0	0	111.5	L540 F868 T882 A883 Q888 H889 L892	L540-C886 HydrophobicContact CD1-CB 3.57Å; L540-C886 HydrophobicContact CD2-CB 3.84Å; L540-C886 HydrophobicContact CG-CB 4.29Å; F868-C886 HydrophobicContact CE2-CB 4.25Å; T882-C886 PolarHBondContact O-N 2.91Å; T882-C886 PolarHBondContact O-SG 3.29Å; A883-C886 PolarHBondContact O-N 3.39Å; C886-Q888 PolarHBondContact O-N 2.89Å; C886-H889 WeakPolarHBondContact O-CB 3.22Å; C886-H889 PolarHBondContact O-N 2.86Å; C886-L892 VanDerWaalsContact O-CD1 3.25Å; C886-L892 WeakPolarHBondContact O-CD1 3.44Å
887	L	98.7	Very high	96.7	Very high	20 Å²	20	62.9 Å²	62.9	11%	0.105	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-20.8	176.1	-71.7	171.6	0	0	0	114.3	Y483 R537 L540 Q541 D544 A883 Q885 L892 H893	Y483-L887 HydrophobicContact CE2-CD1 3.88Å; R537-L887 HydrophobicContact CG-CD2 4.3Å; R537-L887 WeakPolarHBondContact O-CD2 3.31Å; L540-L887 HydrophobicContact CB-CD2 3.69Å; L540-L887 HydrophobicContact CB-CG 3.93Å; Q541-L887 HydrophobicContact CG-CD1 4.03Å; Q541-L887 HydrophobicContact CG-CD2 3.88Å; D544-L887 HydrophobicContact CB-CD1 4.35Å; A883-L887 WeakPolarHBondContact O-CG 3.42Å; A883-L887 PolarHBondContact O-N 3.42Å; Q885-L887 VanDerWaalsContact C-N 3.26Å; Q885-L887 PolarHBondContact O-N 2.79Å; L887-L892 HydrophobicContact CD2-CD1 4.45Å; L887-H893 PolarHBondContact O-NE2 2.9Å
888	Q	98.3	Very high	96.6	Very high	149 Å²	149	65.5 Å²	65.5	70%	0.696	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-5.5	175.4	-65.6	168.5	50.1	0	0	112.5	A884 Q885 C886	A884-Q888 WeakPolarHBondContact O-CG 3.39Å; A884-Q888 PolarHBondContact O-NE2 2.95Å; Q885-Q888 WeakPolarHBondContact O-CB 3.39Å; Q885-Q888 PolarHBondContact O-N 2.78Å; C886-Q888 PolarHBondContact O-N 2.89Å
889	H	98.5	Very high	96.6	Very high	33 Å²	33	59.3 Å²	59.3	15%	0.153	30%	0.301	C	S	.	.			trans	-71.9	132.9	-175.7	-158.7	-90.4	0	0	0	112.4	D867 F868 Q885 C886 W891 L892 H893	D867-H889 IonicContact OD2-CE1 3.16Å; D867-H889 PolarHBondContact OD2-CE1 2.7Å; D867-H889 IonicContact OD2-NE2 3.9Å; D867-H889 PolarHBondContact OD2-NE2 3.16Å; F868-H889 VanDerWaalsContact CA-CE1 3.44Å; F868-H889 WeakPolarHBondContact CA-CE1 3.13Å; F868-H889 HydrophobicContact CD2-CB 3.73Å; F868-H889 AromaticContact CD2-CG 3.59Å; F868-H889 AromaticContact CD2-ND1 3.53Å; F868-H889 HydrophobicContact CE2-CB 4.05Å; F868-H889 PolarHBondContact N-CE1 3.3Å; Q885-H889 PolarHBondContact O-N 2.97Å; C886-H889 WeakPolarHBondContact O-CB 3.22Å; C886-H889 PolarHBondContact O-N 2.86Å; H889-W891 PolarHBondContact O-N 2.74Å; H889-W891 VanDerWaalsContact O-N 3.12Å; H889-L892 PolarHBondContact O-N 2.81Å; H889-L892 VanDerWaalsContact O-N 3.08Å; H889-H893 PolarHBondContact O-CD2 2.74Å
890	V	97.2	Very high	96.5	Very high	102 Å²	102	51.4 Å²	51.4	62%	0.618	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-55.2	-37.3	-172	178.6	0	0	0	0	112.5	L892 H893 T894	V890-L892 PolarHBondContact O-N 2.94Å; V890-L892 VanDerWaalsContact O-N 3.13Å; V890-H893 CarbonylContact O-C 3.6Å; V890-H893 PolarHBondContact O-N 2.74Å; V890-T894 HydrophobicContact CG1-CG2 3.85Å; V890-T894 PolarHBondContact O-N 3.15Å
891	W	97.8	Very high	96.4	Very high	3 Å²	3	54.6 Å²	54.6	1%	0.011	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-54.4	-31.3	179	-179	82.1	0	0	0	114.7	L529 V532 K533 F865 F868 H889 H893 T894	L529-W891 HydrophobicContact CD1-CZ2 3.84Å; L529-W891 HydrophobicContact CG-CZ2 4.25Å; V532-W891 HydrophobicContact CG1-CH2 4.32Å; K533-W891 HydrophobicContact CB-CH2 4.41Å; K533-W891 HydrophobicContact CD-CZ2 4.43Å; K533-W891 VanDerWaalsContact CD-O 3.23Å; K533-W891 WeakPolarHBondContact CD-O 3.34Å; K533-W891 WeakPolarHBondContact CE-O 3.41Å; K533-W891 HydrophobicContact CG-CD2 4.11Å; K533-W891 HydrophobicContact CG-CE3 4.11Å; K533-W891 HydrophobicContact CG-CH2 3.57Å; K533-W891 HydrophobicContact CG-CZ2 3.56Å; K533-W891 HydrophobicContact CG-CZ3 3.86Å; K533-W891 PolarHBondContact NZ-O 3.27Å; F865-W891 HydrophobicContact CD2-CD2 4.19Å; F865-W891 AromaticContact CD2-CE2 3.47Å; F865-W891 VanDerWaalsContact CD2-CE2 3.47Å; F865-W891 AromaticContact CD2-CH2 3.89Å; F865-W891 HydrophobicContact CD2-CH2 3.89Å; F865-W891 AromaticContact CD2-CZ2 3.31Å; F865-W891 HydrophobicContact CD2-CZ2 3.31Å; F865-W891 AromaticContact CD2-NE1 3.77Å; F865-W891 AromaticContact CE2-CH2 3.65Å; F865-W891 HydrophobicContact CE2-CH2 3.65Å; F865-W891 AromaticContact CE2-CZ2 3.49Å; F865-W891 HydrophobicContact CE2-CZ2 3.49Å; F865-W891 VanDerWaalsContact CE2-CZ2 3.49Å; F865-W891 HydrophobicContact CE2-CZ3 4.39Å; F865-W891 HydrophobicContact CG-CZ2 4.28Å; F868-W891 HydrophobicContact CB-CB 3.94Å; F868-W891 HydrophobicContact CB-CD2 4.33Å; F868-W891 HydrophobicContact CB-CE3 4.41Å; F868-W891 HydrophobicContact CB-CG 4.14Å; F868-W891 AromaticContact CD1-CD2 3.91Å; F868-W891 HydrophobicContact CD1-CD2 3.91Å; F868-W891 AromaticContact CD1-CE3 3.29Å; F868-W891 HydrophobicContact CD1-CE3 3.29Å; F868-W891 HydrophobicContact CD1-CH2 4.42Å; F868-W891 AromaticContact CD1-CZ3 3.6Å; F868-W891 HydrophobicContact CD1-CZ3 3.6Å; F868-W891 HydrophobicContact CD2-CE3 4.25Å; F868-W891 HydrophobicContact CE1-CD2 4.44Å; F868-W891 AromaticContact CE1-CE3 3.42Å; F868-W891 HydrophobicContact CE1-CE3 3.42Å; F868-W891 VanDerWaalsContact CE1-CE3 3.42Å; F868-W891 HydrophobicContact CE1-CH2 4.31Å; F868-W891 AromaticContact CE1-CZ3 3.34Å; F868-W891 HydrophobicContact CE1-CZ3 3.34Å; F868-W891 HydrophobicContact CE2-CE3 4.33Å; F868-W891 HydrophobicContact CG-CB 4.26Å; F868-W891 HydrophobicContact CG-CD2 4.15Å; F868-W891 AromaticContact CG-CE3 3.74Å; F868-W891 HydrophobicContact CG-CE3 3.74Å; F868-W891 HydrophobicContact CG-CG 4.38Å; F868-W891 HydrophobicContact CG-CZ3 4.46Å; F868-W891 AromaticContact CZ-CE3 3.94Å; F868-W891 HydrophobicContact CZ-CE3 3.94Å; F868-W891 HydrophobicContact CZ-CZ3 4.02Å; H889-W891 PolarHBondContact O-N 2.74Å; H889-W891 VanDerWaalsContact O-N 3.12Å; W891-H893 PolarHBondContact O-N 3.07Å; W891-T894 PolarHBondContact O-OG1 2.62Å
892	L	96.6	Very high	96.2	Very high	9 Å²	9	57.8 Å²	57.8	5%	0.047	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-77.3	-8.8	177.6	-67.2	178.3	0	0	0	113.9	I536 R537 L540 F868 C886 L887 H889 V890	I536-L892 HydrophobicContact CG2-CD2 4.38Å; R537-L892 HydrophobicContact CB-CD2 4.27Å; L540-L892 HydrophobicContact CD1-CD1 3.89Å; F868-L892 HydrophobicContact CE2-CD1 4.2Å; F868-L892 HydrophobicContact CE2-CG 4.15Å; F868-L892 HydrophobicContact CZ-CD1 4.31Å; F868-L892 HydrophobicContact CZ-CD2 4.11Å; F868-L892 HydrophobicContact CZ-CG 4.2Å; C886-L892 VanDerWaalsContact O-CD1 3.25Å; C886-L892 WeakPolarHBondContact O-CD1 3.44Å; L887-L892 HydrophobicContact CD2-CD1 4.45Å; H889-L892 PolarHBondContact O-N 2.81Å; H889-L892 VanDerWaalsContact O-N 3.08Å; V890-L892 PolarHBondContact O-N 2.94Å; V890-L892 VanDerWaalsContact O-N 3.13Å
893	H	90	Very high	96	Very high	128 Å²	128	56.8 Å²	56.8	59%	0.593	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-121.8	9.4	-177	-51.5	-81	0	0	0	112.7	L887 H889 V890 W891	L887-H893 PolarHBondContact O-NE2 2.9Å; H889-H893 PolarHBondContact O-CD2 2.74Å; V890-H893 CarbonylContact O-C 3.6Å; V890-H893 PolarHBondContact O-N 2.74Å; W891-H893 PolarHBondContact O-N 3.07Å
894	T	79.6	Confident	95.7	Very high	97 Å²	97	61.9 Å²	61.9	60%	0.595	33%	0.326	S	S	*	.			trans	-107.3	0	168.2	58.7	0	0	0	0	112.3	K533 Q864 V890 W891	K533-T894 VanDerWaalsContact CD-OXT 3.3Å; K533-T894 WeakPolarHBondContact CD-OXT 3.32Å; K533-T894 PolarHBondContact NZ-O 3.06Å; K533-T894 PolarHBondContact NZ-OG1 3.31Å; K533-T894 PolarHBondContact NZ-OXT 3.43Å; Q864-T894 PolarHBondContact OE1-OG1 3.2Å; Q864-T894 VanDerWaalsContact OE1-OG1 3.13Å; V890-T894 HydrophobicContact CG1-CG2 3.85Å; V890-T894 PolarHBondContact O-N 3.15Å; W891-T894 PolarHBondContact O-OG1 2.62Å

Retrieved 894 of 894 residues in 788.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).