A0A096NRN7_PAPAN Loading...

Transferrin receptor protein 2

Mediates cellular uptake of transferrin-bound iron in a non-iron dependent manner. May be involved in iron metabolism, hepatocyte function and erythrocyte differentiation.

AlphaFold DB , UniProt , Accession A0A096NRN7, Species PAPAN (Papio anubis, Olive baboon), Gene TFR2, Length 798 aa.

						>A0A096NRN7_PAPAN|A0A096NRN7|TFR2
MERLWGLLQRAQQLSPRSSQTVYQRVEGPQKGHLEEEEEDGEETLAHFCPMELKGPEPLGSRPRQPNLIPWAAAGRRAAPYLVLTALLIFTGAFLLGYVAFRGSCQTCGDSVLVVSEDVNYEPDLDFHRGTLYWSDLQAMFLQFLGEGRLEDTIRQTSLRERVAGSAGMAALTQDIRAALSRQKLDHVWTDTHYVGLQFPDPAHPNTLHWVDEAGKVEEQLPLEDPDVYCPYSAIGNVTGELVYAHYGRPEDLQDLRARGVDPAGRLLLVRVGVISFAQKVTNAQDFGAQGVLIYPEPADFSQDPHKPSLSSQQAVYGHVHLGTGDPYTPGFPSFNQTQFPPVASSGLPSIPAQPISADIASRLLRKLKGPVAPQEWQGSLLGSPYHLGPGPGLRLAVNNHRTSTPINNIFGCIEGRSEPDHYVVIGAQRDSWGPGAAKSAVGTAILLELVRTFSSMVSNGFRPRRSLLFISWDGGDFGSVGSTEWLEGYLSVLHLKAVVYVSLDNAVLGNDKFRAKTSPLLTSLIESVLKQVDSPNHSGQTLYEQVVFTNPSWDAEVIRPLPMDSSAYSFTAFVGVPAVEFSFVEDDQAYPFLHTKEDTYENLHKVLQGRLPAVAQAVAQLAGQLLIRLSHDRLLPLDFGRYGDVVLRHIGNLNEFSGDLKARGLTLQWVYSARGDYIRAAEKLRQEIYSSEERDERLTRMYNVRIMRVEFYFLSQYVSPADSPFRHIFMGRGDHTLGALLDHLRLLRSNSSGTPGATSSAVFQESRFRRQLALLTWTLQGAANALSGDVWNIDNNF
					

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	49.8	Very low	39.2	Very low	203 Å²	203	157.8 Å²	157.8	100%	1	76%	0.763	S	S	*	*				0	-33	0	-77.9	-75.4	-96.2	0	0	113.1
2	E	41	Very low	38.5	Very low	188 Å²	188	158.8 Å²	158.8	88%	0.879	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-7.8	174.5	-72.9	179.4	152.4	0	0	115.9
3	R	40.9	Very low	38	Very low	238 Å²	238	160.1 Å²	160.1	90%	0.898	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-2.3	170.3	-77.7	-174.8	177.5	-177.1	-0.3	114.8
4	L	39	Very low	37.3	Very low	125 Å²	125	161.1 Å²	161.1	65%	0.654	78%	0.78	S	S	*	*	S	Bend	trans	-95.5	-19.8	175.2	-106.5	121.4	0	0	0	112.9
5	W	38.7	Very low	36.6	Very low	202 Å²	202	158.1 Å²	158.1	77%	0.765	78%	0.782	S	S	*	*	H	α-helix	trans	-78.7	-25.4	179	-148.8	-77	0	0	0	113.1
6	G	41.1	Very low	36.1	Very low	52 Å²	52	155.3 Å²	155.3	54%	0.536	78%	0.779	S	S	.	*	H	α-helix	trans	-78.8	-13.9	179.2	0	0	0	0	0	115.6
7	L	39	Very low	35.4	Very low	136 Å²	136	160.5 Å²	160.5	71%	0.712	79%	0.787	S	S	*	*	H	α-helix	trans	-91.9	-22.2	178.4	-83.9	157.4	0	0	0	112.8
8	L	35.5	Very low	34.9	Very low	134 Å²	134	157.9 Å²	157.9	70%	0.702	79%	0.788	S	S	*	*	H	α-helix	trans	-81	-16	176.2	-84.8	155.9	0	0	0	113.7
9	Q	37	Very low	34.5	Very low	148 Å²	148	155.7 Å²	155.7	69%	0.692	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-5.7	175.5	-100.5	-180	-23.9	0	0	114.7
10	R	35.9	Very low	34	Very low	225 Å²	225	156.9 Å²	156.9	85%	0.849	79%	0.791	S	S	*	*	S	Bend	trans	-100.1	1.8	176.7	-94.3	-178.1	176.3	177.1	-0.5	114.9
11	A	32.7	Very low	33.6	Very low	85 Å²	85	155.7 Å²	155.7	70%	0.702	79%	0.792	S	S	*	*	S	Bend	trans	-98.2	1	175.7	0	0	0	0	0	114
12	Q	31.7	Very low	32.5	Very low	170 Å²	170	151.8 Å²	151.8	79%	0.794	78%	0.78	S	S	*	*	S	Bend	trans	-99	7	179.8	-88.3	-175	-24.5	0	0	115.1
13	Q	31.7	Very low	31.8	Very low	175 Å²	175	153.7 Å²	153.7	82%	0.818	78%	0.78	S	S	*	*	S	Bend	trans	-130.8	89.2	173.2	-78.1	-178	-17.5	0	0	109.1
14	L	27.5	Very low	31	Very low	175 Å²	175	150.9 Å²	150.9	92%	0.916	78%	0.778	S	S	*	*			trans	174.9	83	153.9	-93.7	158.2	0	0	0	108.3
15	S	27.6	Very low	30.3	Very low	116 Å²	116	155.1 Å²	155.1	81%	0.811	79%	0.785	S	S	*	*			trans	-102.7	141.2	162.3	59.2	0	0	0	0	109.2
16	P	28.9	Very low	29.7	Very low	113 Å²	113	152.1 Å²	152.1	73%	0.734	79%	0.789	S	S	*	*			trans	-137	133.4	139.5	29.3	-12.3	0	0	0	114.2
17	R	24.4	Very low	29.1	Very low	243 Å²	243	157.7 Å²	157.7	92%	0.917	80%	0.8	S	S	*	*			trans	69.5	93.8	148.3	-65.3	-177.3	174.8	-178.1	-2	119
18	S	26.4	Very low	28.4	Very low	114 Å²	114	154.5 Å²	154.5	80%	0.797	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-77.7	125.8	149.4	53.7	0	0	0	0	110.3
19	S	26.1	Very low	28.3	Very low	117 Å²	117	154 Å²	154	82%	0.818	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-67.7	124.1	165.9	50.2	0	0	0	0	110
20	Q	25.1	Very low	27.8	Very low	178 Å²	178	155.7 Å²	155.7	83%	0.832	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-75.4	124.9	175.4	-69.2	173.3	-31.9	0	0	110.4
21	T	25.7	Very low	27.6	Very low	133 Å²	133	155.3 Å²	155.3	82%	0.816	82%	0.818	S	S	*	*			trans	-112.5	123.4	154.2	20.1	0	0	0	0	108.4
22	V	26.1	Very low	27.3	Very low	120 Å²	120	155 Å²	155	73%	0.727	82%	0.823	S	S	*	*			trans	-84.1	119.3	-172.2	173.6	0	0	0	0	108.9
23	Y	26.1	Very low	27	Very low	228 Å²	228	156.1 Å²	156.1	89%	0.894	83%	0.828	S	S	*	*			trans	-111.1	111.4	154	-82.9	-82.1	0	0	0	108.2	R25	Y23-R25 PolarHBondContact O-N 3.23Å
24	Q	25.3	Very low	26.7	Very low	180 Å²	180	156 Å²	156	84%	0.841	83%	0.832	S	S	*	*			trans	-76.4	113.5	177.2	-161.6	171.2	3.9	0	0	108.4	V26	Q24-V26 PolarHBondContact O-N 3.06Å
25	R	24	Very low	26.7	Very low	213 Å²	213	156.2 Å²	156.2	80%	0.804	83%	0.828	S	S	*	*			trans	-69.7	115.2	174.9	179.9	-176.6	-85.9	-177.8	-6.5	109	Y23 E27	Y23-R25 PolarHBondContact O-N 3.23Å; R25-E27 HydrophobicContact CG-CG 4.3Å
26	V	26.8	Very low	26.6	Very low	140 Å²	140	159.9 Å²	159.9	85%	0.848	83%	0.832	S	S	*	*			trans	-87.1	112.1	163.4	177.6	0	0	0	0	107	Q24	Q24-V26 PolarHBondContact O-N 3.06Å
27	E	27.4	Very low	26.4	Very low	168 Å²	168	163.3 Å²	163.3	79%	0.785	84%	0.839	S	S	*	*			trans	-80	132.1	169.4	-70.7	-177.7	162.2	0	0	110	R25	R25-E27 HydrophobicContact CG-CG 4.3Å
28	G	24.6	Very low	26.4	Very low	70 Å²	70	160.7 Å²	160.7	72%	0.722	84%	0.837	S	S	*	*			trans	-145.4	136.8	164.6	0	0	0	0	0	108.6
29	P	32.9	Very low	26.4	Very low	122 Å²	122	164.5 Å²	164.5	79%	0.792	84%	0.842	S	S	*	*			trans	-101	163.6	-163.9	39.7	-34.9	0	0	0	114
30	Q	28	Very low	26.4	Very low	185 Å²	185	167 Å²	167	86%	0.864	85%	0.846	S	S	*	*			trans	98.4	103.2	155.4	-60.1	-171.2	-18.1	0	0	119.9
31	K	31.6	Very low	26.5	Very low	216 Å²	216	161.6 Å²	161.6	94%	0.939	84%	0.839	S	S	*	*				31.5	118.1	127	-77.4	-179	171.4	-178.6	0	119.1
32	G	25.4	Very low	26.4	Very low	78 Å²	78	164.4 Å²	164.4	80%	0.804	84%	0.843	S	S	*	*			trans	-154.9	123.5	151.9	0	0	0	0	0	109.9
33	H	25.7	Very low	26.5	Very low	195 Å²	195	168.3 Å²	168.3	90%	0.903	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-67.4	144	177.9	-98.8	-98.1	0	0	0	111.2
34	L	26.1	Very low	26.4	Very low	172 Å²	172	163.6 Å²	163.6	90%	0.901	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-80.1	119.4	164.3	-74.9	155.7	0	0	0	108.2
35	E	25.6	Very low	26.3	Very low	179 Å²	179	163.2 Å²	163.2	84%	0.836	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-96.2	124.6	159.7	-76	179.5	162.4	0	0	107
36	E	26.6	Very low	26.5	Very low	193 Å²	193	157.7 Å²	157.7	90%	0.902	85%	0.851	S	S	*	*			trans	-79.9	113.3	165.4	-73.5	173	160.7	0	0	107.1
37	E	24.6	Very low	26.8	Very low	186 Å²	186	159.2 Å²	159.2	87%	0.869	85%	0.848	S	S	*	*			trans	-87.3	111.8	162.5	-75.8	-176.3	155.3	0	0	107.5	E39	E37-E39 PolarHBondContact O-N 3.32Å
38	E	25.3	Very low	27.3	Very low	187 Å²	187	158.9 Å²	158.9	87%	0.874	84%	0.844	S	S	*	*			trans	-73.2	110.3	163.1	-79.4	179.7	152.5	0	0	108.2
39	E	25	Very low	28.2	Very low	194 Å²	194	158 Å²	158	91%	0.907	83%	0.827	S	S	*	*			trans	-86.3	104.9	160.9	-101.2	-174.2	163	0	0	108.7	E37 G41	E37-E39 PolarHBondContact O-N 3.32Å; E39-G41 PolarHBondContact O-N 2.92Å
40	D	27.5	Very low	29.2	Very low	169 Å²	169	152.5 Å²	152.5	90%	0.904	79%	0.791	S	S	*	*			trans	-66	103.7	160.5	-84.7	-36.3	0	0	0	108.9
41	G	25.7	Very low	30.8	Very low	66 Å²	66	144.3 Å²	144.3	68%	0.68	75%	0.753	S	S	*	*			trans	-131.2	121.2	170.9	0	0	0	0	0	110.4	E39 E43	E39-G41 PolarHBondContact O-N 2.92Å; G41-E43 PolarHBondContact O-N 2.73Å
42	E	23.5	Very low	32.2	Very low	192 Å²	192	137 Å²	137	90%	0.897	72%	0.722	S	S	*	*			trans	-46.9	124.9	178.7	-73.3	173.6	137.7	0	0	112.6	T44	E42-T44 PolarHBondContact O-N 3.4Å
43	E	28	Very low	33.1	Very low	201 Å²	201	135.5 Å²	135.5	94%	0.939	70%	0.695	S	S	*	*			trans	-56.5	104.6	170.1	-77	-177.4	149.1	0	0	110.3	G41	G41-E43 PolarHBondContact O-N 2.73Å
44	T	24.3	Very low	33.6	Very low	129 Å²	129	134.2 Å²	134.2	79%	0.791	69%	0.687	S	S	*	*			trans	-85.4	123.5	155.7	39	0	0	0	0	107.3	E42 A46	E42-T44 PolarHBondContact O-N 3.4Å; T44-A46 PolarHBondContact O-N 3.42Å
45	L	24.1	Very low	34.1	Very low	173 Å²	173	128.5 Å²	128.5	91%	0.906	67%	0.67	S	S	*	*			trans	-34.4	108	174.6	-92.3	139.3	0	0	0	111.3	H47	L45-H47 PolarHBondContact O-N 3.36Å
46	A	27.5	Very low	34.2	Very low	97 Å²	97	125.5 Å²	125.5	80%	0.802	67%	0.666	S	S	*	*			trans	-60.4	109.8	176.1	0	0	0	0	0	109	T44 F48	T44-A46 PolarHBondContact O-N 3.42Å; A46-F48 PolarHBondContact O-N 2.98Å; A46-F48 VanDerWaalsContact O-N 3.11Å
47	H	33.1	Very low	34.3	Very low	172 Å²	172	124.7 Å²	124.7	80%	0.796	66%	0.662	S	S	*	*			trans	-58	114.4	167.2	-88.1	-71.1	0	0	0	108.6	L45 C49	L45-H47 PolarHBondContact O-N 3.36Å; H47-C49 PolarHBondContact O-N 3.14Å; H47-C49 VanDerWaalsContact O-N 3.1Å
48	F	39.2	Very low	34.5	Very low	160 Å²	160	121.7 Å²	121.7	70%	0.702	66%	0.659	S	S	*	*			trans	-70.7	100.3	175.4	-162.2	-91.8	0	0	0	108.6	A46	A46-F48 PolarHBondContact O-N 2.98Å; A46-F48 VanDerWaalsContact O-N 3.11Å
49	C	43.3	Very low	34.8	Very low	52 Å²	52	121.4 Å²	121.4	35%	0.351	66%	0.662	S	S	.	*			trans	-82.1	123.5	171.1	-82.2	0	0	0	0	109.8	H47 M51 E52	H47-C49 PolarHBondContact O-N 3.14Å; H47-C49 VanDerWaalsContact O-N 3.1Å; C49-M51 PolarHBondContact O-N 3.4Å; C49-E52 HydrophobicContact CB-CB 4.01Å; C49-E52 WeakPolarHBondContact CB-OE2 3.45Å; C49-E52 PolarHBondContact SG-OE2 3.37Å
50	P	53.6	Low	35.1	Very low	7 Å²	7	115.5 Å²	115.5	5%	0.045	65%	0.653	C	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	115.2	-177.8	24.8	-30	0	0	0	111.3	E52 W189 C413 Y423	P50-E52 VanDerWaalsContact C-N 3.28Å; P50-E52 PolarHBondContact O-N 2.62Å; P50-W189 HydrophobicContact CG-CH2 3.85Å; P50-W189 HydrophobicContact CG-CZ3 4.04Å; P50-W189 WeakPolarHBondContact O-CH2 3.2Å; P50-W189 WeakPolarHBondContact O-CZ2 3.33Å; P50-C413 HydrophobicContact CG-CB 4.26Å; P50-Y423 HydrophobicContact CB-CE1 3.85Å; P50-Y423 WeakPolarHBondContact CB-OH 3.46Å
51	M	62.2	Low	35.2	Very low	12 Å²	12	113.3 Å²	113.3	6%	0.059	65%	0.651	C	S	.	*	T	Hydrogen-bonded Turn	trans	52	41.1	170.2	-56.7	-175.4	-64.1	0	0	114.3	C49 Y423 L469 W486 Y490 L494 K497	C49-M51 PolarHBondContact O-N 3.4Å; M51-Y423 HydrophobicContact CE-CD1 3.82Å; M51-Y423 HydrophobicContact CE-CD2 3.39Å; M51-Y423 HydrophobicContact CE-CE1 3.95Å; M51-Y423 HydrophobicContact CE-CE2 3.52Å; M51-Y423 HydrophobicContact CE-CG 3.55Å; M51-Y423 HydrophobicContact CG-CE2 4.31Å; M51-Y423 HydrophobicContact SD-CD2 3.97Å; M51-Y423 HydrophobicContact SD-CE2 3.8Å; M51-L469 HydrophobicContact CE-CD2 3.56Å; M51-W486 HydrophobicContact CB-CZ2 4.49Å; M51-W486 HydrophobicContact CE-CH2 4.34Å; M51-W486 HydrophobicContact CE-CZ2 3.97Å; M51-W486 HydrophobicContact SD-CZ2 4.29Å; M51-Y490 WeakPolarHBondContact CA-OH 3.39Å; M51-Y490 HydrophobicContact CB-CE1 4.29Å; M51-Y490 HydrophobicContact CB-CE2 4.21Å; M51-Y490 PolarHBondContact O-OH 3.37Å; M51-L494 HydrophobicContact SD-CD1 4.02Å; M51-K497 HydrophobicContact SD-CD 4.2Å
52	E	60.1	Low	35.3	Very low	63 Å²	63	121.2 Å²	121.2	29%	0.294	66%	0.66	S	S	.	*			trans	-82.7	122	170.3	-172.7	-178.5	-173.3	0	0	110.3	C49 P50 K54 Y490	C49-E52 HydrophobicContact CB-CB 4.01Å; C49-E52 WeakPolarHBondContact CB-OE2 3.45Å; C49-E52 PolarHBondContact SG-OE2 3.37Å; P50-E52 VanDerWaalsContact C-N 3.28Å; P50-E52 PolarHBondContact O-N 2.62Å; E52-K54 HydrophobicContact CG-CG 4.2Å; E52-K54 PolarHBondContact O-N 2.99Å; E52-K54 WeakPolarHBondContact OE2-CE 3.43Å; E52-Y490 VanDerWaalsContact C-OH 3.31Å; E52-Y490 PolarHBondContact N-OH 2.96Å; E52-Y490 PolarHBondContact O-OH 3.1Å
53	L	45	Very low	35.5	Very low	47 Å²	47	118.3 Å²	118.3	25%	0.246	66%	0.659	C	S	.	*			trans	-79.9	96.3	168.8	-71.1	170.1	0	0	0	108.1	G55 Y490	L53-G55 PolarHBondContact O-N 2.99Å; L53-Y490 HydrophobicContact CD1-CE2 4.22Å; L53-Y490 HydrophobicContact CD2-CE2 3.9Å; L53-Y490 HydrophobicContact CG-CE2 3.79Å; L53-Y490 PolarHBondContact N-OH 3.39Å
54	K	36	Very low	35.4	Very low	168 Å²	168	120.7 Å²	120.7	73%	0.73	66%	0.659	S	S	*	*			trans	-77.4	111.5	171.1	-74.4	-171.5	176.8	-177.1	0	109.7	E52	E52-K54 HydrophobicContact CG-CG 4.2Å; E52-K54 PolarHBondContact O-N 2.99Å; E52-K54 WeakPolarHBondContact OE2-CE 3.43Å
55	G	35	Very low	35.5	Very low	52 Å²	52	123.8 Å²	123.8	54%	0.536	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-66.8	161.2	165.2	0	0	0	0	0	111.7	L53 E57	L53-G55 PolarHBondContact O-N 2.99Å; G55-E57 PolarHBondContact O-N 2.84Å
56	P	29.2	Very low	35.9	Very low	115 Å²	115	121.1 Å²	121.1	75%	0.747	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-62.7	128.5	175.6	25.1	-31.4	0	0	0	110.3
57	E	29.1	Very low	35.8	Very low	176 Å²	176	124.6 Å²	124.6	82%	0.822	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-61.4	137.5	175.7	-69	-165.3	168.1	0	0	110.7	G55 L59	G55-E57 PolarHBondContact O-N 2.84Å; E57-L59 PolarHBondContact O-N 3.32Å; E57-L59 VanDerWaalsContact O-N 3.12Å
58	P	28.9	Very low	35.8	Very low	124 Å²	124	124.5 Å²	124.5	81%	0.805	67%	0.667	S	S	*	*			trans	-68.7	113	176	26.3	-30.7	0	0	0	109.6	G60	P58-G60 PolarHBondContact O-N 2.86Å
59	L	30.9	Very low	35.3	Very low	180 Å²	180	124.2 Å²	124.2	94%	0.942	67%	0.671	S	S	*	*			trans	-55.8	101.8	173	-83.8	154.6	0	0	0	110.3	E57	E57-L59 PolarHBondContact O-N 3.32Å; E57-L59 VanDerWaalsContact O-N 3.12Å
60	G	30.4	Very low	34.8	Very low	70 Å²	70	127.2 Å²	127.2	72%	0.722	69%	0.69	S	S	*	*			trans	-64.4	132	172.6	0	0	0	0	0	111.4	P58 R62	P58-G60 PolarHBondContact O-N 2.86Å; G60-R62 PolarHBondContact O-N 3.42Å
61	S	29.8	Very low	33.6	Very low	123 Å²	123	139.2 Å²	139.2	86%	0.86	74%	0.735	S	S	*	*			trans	-69.8	119.4	179.1	45.1	0	0	0	0	112.1
62	R	27.3	Very low	32.1	Very low	232 Å²	232	143.4 Å²	143.4	88%	0.875	77%	0.771	S	S	*	*			trans	-123.2	138.3	160.1	-80.4	-173.8	176	177.9	1.1	110.5	G60	G60-R62 PolarHBondContact O-N 3.42Å
63	P	28.7	Very low	31	Very low	132 Å²	132	145.4 Å²	145.4	86%	0.857	80%	0.798	S	S	*	*			trans	-80.5	131.1	-173	32.4	-33.6	0	0	0	111.6
64	R	26.3	Very low	30.7	Very low	251 Å²	251	148 Å²	148	95%	0.947	83%	0.827	S	S	*	*			trans	-82.4	129	172.8	-81.5	-179.7	169	171.3	-4.3	111
65	Q	26.1	Very low	31.3	Very low	193 Å²	193	143.5 Å²	143.5	90%	0.902	83%	0.828	S	S	*	*			trans	-104.8	138.5	157.3	-96.1	-177.9	-17.6	0	0	109.1
66	P	31.3	Very low	32.2	Very low	117 Å²	117	152.7 Å²	152.7	76%	0.76	85%	0.846	S	S	*	*			trans	-94.8	126.6	-177.3	34.2	-28.1	0	0	0	111.6
67	N	26.3	Very low	33.4	Very low	171 Å²	171	157.5 Å²	157.5	91%	0.914	85%	0.849	S	S	*	*			trans	-106.4	118.2	162.2	-86.4	-20	0	0	0	109.3
68	L	32	Very low	34.8	Very low	169 Å²	169	152.2 Å²	152.2	89%	0.885	84%	0.836	S	S	*	*			trans	-89.4	124.9	171.5	-89.3	150.9	0	0	0	109.4
69	I	29.3	Very low	36.1	Very low	155 Å²	155	149.8 Å²	149.8	80%	0.795	83%	0.827	S	S	*	*			trans	-139.1	137.8	154.5	-61.8	-174.1	0	0	0	109.4
70	P	32.8	Very low	37.6	Very low	115 Å²	115	145.2 Å²	145.2	75%	0.747	81%	0.807	S	S	*	*			trans	-97.5	142.2	-161.8	35.4	-27.8	0	0	0	113.2
71	W	28.2	Very low	39.3	Very low	259 Å²	259	149.7 Å²	149.7	98%	0.981	80%	0.804	S	S	*	*			trans	-109.5	114.5	167.7	-84.8	29.4	0	0	0	110.8
72	A	32.4	Very low	41.2	Very low	99 Å²	99	149.7 Å²	149.7	82%	0.818	79%	0.794	S	S	*	*			trans	-141.9	136.7	157.1	0	0	0	0	0	109
73	A	36.4	Very low	43.5	Very low	105 Å²	105	143.2 Å²	143.2	87%	0.868	78%	0.78	S	S	*	*			trans	86.2	103.3	169.3	0	0	0	0	0	117.9
74	A	38.6	Very low	45.7	Very low	102 Å²	102	142.5 Å²	142.5	84%	0.843	77%	0.768	S	S	*	*				-177.8	79.1	123.5	0	0	0	0	0	111
75	G	47.7	Very low	48.4	Very low	73 Å²	73	134.2 Å²	134.2	75%	0.753	75%	0.745	S	S	*	*			trans	-74.6	145.7	161.6	0	0	0	0	0	111
76	R	54.1	Low	51.1	Low	245 Å²	245	127.7 Å²	127.7	93%	0.925	72%	0.724	S	S	*	*	S	Bend	trans	90.8	51	174.1	-53	-173.4	-134.5	-164.4	0.3	118.4
77	R	54.8	Low	53.5	Low	216 Å²	216	127.3 Å²	127.3	82%	0.815	72%	0.715	S	S	*	*			trans	-147.5	21.7	146.7	-67.5	-164.2	-176.9	169.4	1.7	114.3	Y81	R77-Y81 VanDerWaalsContact O-CD2 3.32Å; R77-Y81 WeakPolarHBondContact O-CD2 3.41Å
78	A	57.5	Low	56.3	Low	66 Å²	66	124.7 Å²	124.7	55%	0.545	70%	0.701	S	S	.	*			trans	-86.3	-17.8	-174.2	0	0	0	0	0	115.3	L82	A78-L82 PolarHBondContact O-N 2.71Å
79	A	57.1	Low	59	Low	73 Å²	73	122.2 Å²	122.2	60%	0.603	69%	0.687	S	S	*	*	H	α-helix	trans	-65.6	-42.9	-175.4	0	0	0	0	0	115.4	Y81 V83	A79-Y81 VanDerWaalsContact C-N 3.34Å; A79-Y81 PolarHBondContact O-N 3.37Å; A79-V83 WeakPolarHBondContact O-CG2 3.06Å; A79-V83 PolarHBondContact O-N 3.4Å
80	P	61.5	Low	61.7	Low	83 Å²	83	121.9 Å²	121.9	54%	0.539	68%	0.68	S	S	.	*	H	α-helix	trans	-72	-29.1	-179.9	27.1	-32.8	0	0	0	112.5	L84	P80-L84 PolarHBondContact O-N 2.93Å
81	Y	67.2	Low	64	Low	164 Å²	164	119.4 Å²	119.4	64%	0.643	66%	0.663	S	S	*	*	H	α-helix	trans	-70.3	-42.8	178	-69.8	-77.3	0	0	0	111.7	R77 A79 V83 L84 T85	R77-Y81 VanDerWaalsContact O-CD2 3.32Å; R77-Y81 WeakPolarHBondContact O-CD2 3.41Å; A79-Y81 VanDerWaalsContact C-N 3.34Å; A79-Y81 PolarHBondContact O-N 3.37Å; Y81-V83 VanDerWaalsContact C-N 3.3Å; Y81-V83 PolarHBondContact O-N 2.89Å; Y81-L84 WeakPolarHBondContact O-CB 3.34Å; Y81-L84 PolarHBondContact O-N 3.25Å; Y81-L84 VanDerWaalsContact O-N 3.12Å; Y81-T85 PolarHBondContact O-N 3.35Å; Y81-T85 PolarHBondContact O-OG1 3.47Å
82	L	69.4	Low	66.9	Low	124 Å²	124	108.7 Å²	108.7	65%	0.649	63%	0.633	S	S	*	*	H	α-helix	trans	-61.1	-37.5	175.6	-80.2	166.9	0	0	0	113	A78 A86	A78-L82 PolarHBondContact O-N 2.71Å; L82-A86 WeakPolarHBondContact O-CB 3.38Å; L82-A86 PolarHBondContact O-N 3.2Å
83	V	75.1	Confident	69.3	Low	96 Å²	96	107 Å²	107	58%	0.582	62%	0.619	S	S	*	*	H	α-helix	trans	-67.6	-39.9	175.2	175.9	0	0	0	0	110.9	A79 Y81 A86 L87	A79-V83 WeakPolarHBondContact O-CG2 3.06Å; A79-V83 PolarHBondContact O-N 3.4Å; Y81-V83 VanDerWaalsContact C-N 3.3Å; Y81-V83 PolarHBondContact O-N 2.89Å; V83-A86 PolarHBondContact O-N 3.24Å; V83-L87 WeakPolarHBondContact O-CB 3.23Å; V83-L87 PolarHBondContact O-N 3.39Å; V83-L87 VanDerWaalsContact O-N 3.1Å
84	L	76.6	Confident	71.5	Confident	116 Å²	116	108.4 Å²	108.4	61%	0.607	61%	0.606	S	S	*	*	H	α-helix	trans	-65.7	-42.6	177.9	-148.1	97.2	0	0	0	111.8	P80 Y81 L87 L88	P80-L84 PolarHBondContact O-N 2.93Å; Y81-L84 WeakPolarHBondContact O-CB 3.34Å; Y81-L84 PolarHBondContact O-N 3.25Å; Y81-L84 VanDerWaalsContact O-N 3.12Å; L84-L87 PolarHBondContact O-N 2.92Å; L84-L88 PolarHBondContact O-N 3.22Å; L84-L88 VanDerWaalsContact O-N 3.08Å
85	T	81.8	Confident	73.4	Confident	77 Å²	77	108.6 Å²	108.6	47%	0.472	59%	0.592	S	S	.	*	H	α-helix	trans	-65.3	-42	178.3	-36.1	0	0	0	0	111.4	Y81 L87 L88 I89	Y81-T85 PolarHBondContact O-N 3.35Å; Y81-T85 PolarHBondContact O-OG1 3.47Å; T85-L87 VanDerWaalsContact C-N 3.32Å; T85-L87 PolarHBondContact O-N 3.19Å; T85-L88 PolarHBondContact O-N 3.49Å; T85-I89 HydrophobicContact CG2-CD1 4.36Å; T85-I89 WeakPolarHBondContact O-CG1 3.33Å; T85-I89 PolarHBondContact O-N 2.87Å
86	A	82.1	Confident	74.9	Confident	56 Å²	56	111.9 Å²	111.9	46%	0.463	59%	0.591	S	S	.	*	H	α-helix	trans	-62.9	-38.3	176.7	0	0	0	0	0	112.4	L82 V83 L88 I89 F90	L82-A86 WeakPolarHBondContact O-CB 3.38Å; L82-A86 PolarHBondContact O-N 3.2Å; V83-A86 PolarHBondContact O-N 3.24Å; A86-L88 VanDerWaalsContact C-N 3.35Å; A86-I89 PolarHBondContact O-N 3.38Å; A86-F90 WeakPolarHBondContact O-CB 3.45Å; A86-F90 PolarHBondContact O-N 2.93Å
87	L	82.5	Confident	75.9	Confident	110 Å²	110	102 Å²	102	58%	0.576	57%	0.566	S	S	*	*	H	α-helix	trans	-70	-34.1	179.1	-141.6	142.1	0	0	0	111.7	V83 L84 T85 F90 T91	V83-L87 WeakPolarHBondContact O-CB 3.23Å; V83-L87 PolarHBondContact O-N 3.39Å; V83-L87 VanDerWaalsContact O-N 3.1Å; L84-L87 PolarHBondContact O-N 2.92Å; T85-L87 VanDerWaalsContact C-N 3.32Å; T85-L87 PolarHBondContact O-N 3.19Å; L87-F90 PolarHBondContact O-N 3.3Å; L87-T91 HydrophobicContact CD2-CG2 4.36Å; L87-T91 WeakPolarHBondContact O-CG2 3.41Å; L87-T91 PolarHBondContact O-N 2.74Å; L87-T91 PolarHBondContact O-OG1 3.11Å; L87-T91 VanDerWaalsContact O-OG1 3.07Å
88	L	85.5	Confident	76.9	Confident	115 Å²	115	96.8 Å²	96.8	60%	0.602	55%	0.547	S	S	*	.	H	α-helix	trans	-68.9	-41.3	174.8	-120.9	157.1	0	0	0	112.5	L84 T85 A86 F90 T91 G92	L84-L88 PolarHBondContact O-N 3.22Å; L84-L88 VanDerWaalsContact O-N 3.08Å; T85-L88 PolarHBondContact O-N 3.49Å; A86-L88 VanDerWaalsContact C-N 3.35Å; L88-F90 VanDerWaalsContact C-N 3.34Å; L88-T91 PolarHBondContact O-OG1 2.73Å; L88-T91 VanDerWaalsContact O-OG1 3.08Å; L88-G92 PolarHBondContact O-N 2.98Å
89	I	88.4	Confident	77.7	Confident	118 Å²	118	98.8 Å²	98.8	61%	0.605	55%	0.552	S	S	*	*	H	α-helix	trans	-64.5	-42.4	174.8	-66.8	165.5	0	0	0	110	T85 A86 G92 A93	T85-I89 HydrophobicContact CG2-CD1 4.36Å; T85-I89 WeakPolarHBondContact O-CG1 3.33Å; T85-I89 PolarHBondContact O-N 2.87Å; A86-I89 PolarHBondContact O-N 3.38Å; I89-G92 PolarHBondContact O-N 3.46Å; I89-A93 WeakPolarHBondContact O-CB 3.49Å; I89-A93 PolarHBondContact O-N 3.02Å
90	F	85.7	Confident	78.3	Confident	148 Å²	148	99.1 Å²	99.1	65%	0.649	56%	0.555	S	S	*	*	H	α-helix	trans	-65.4	-42.1	179.6	-169.1	-94	0	0	0	112.6	A86 L87 L88 F94	A86-F90 WeakPolarHBondContact O-CB 3.45Å; A86-F90 PolarHBondContact O-N 2.93Å; L87-F90 PolarHBondContact O-N 3.3Å; L88-F90 VanDerWaalsContact C-N 3.34Å; F90-F94 VanDerWaalsContact O-CB 3.29Å; F90-F94 WeakPolarHBondContact O-CB 3.34Å; F90-F94 PolarHBondContact O-N 3.11Å
91	T	81.2	Confident	78	Confident	62 Å²	62	104 Å²	104	38%	0.38	57%	0.568	S	S	.	*	H	α-helix	trans	-70.6	-36.9	177.4	52.3	0	0	0	0	112.4	L87 L88 F94 L95	L87-T91 HydrophobicContact CD2-CG2 4.36Å; L87-T91 WeakPolarHBondContact O-CG2 3.41Å; L87-T91 PolarHBondContact O-N 2.74Å; L87-T91 PolarHBondContact O-OG1 3.11Å; L87-T91 VanDerWaalsContact O-OG1 3.07Å; L88-T91 PolarHBondContact O-OG1 2.73Å; L88-T91 VanDerWaalsContact O-OG1 3.08Å; T91-F94 PolarHBondContact O-N 3.13Å; T91-L95 WeakPolarHBondContact O-CB 3.5Å; T91-L95 WeakPolarHBondContact O-CG 3.25Å; T91-L95 PolarHBondContact O-N 2.99Å
92	G	88.5	Confident	77.2	Confident	34 Å²	34	105.4 Å²	105.4	35%	0.351	57%	0.572	S	S	.	*	H	α-helix	trans	-61	-48.9	172.7	0	0	0	0	0	112.3	L88 I89 F94 L95 L96	L88-G92 PolarHBondContact O-N 2.98Å; I89-G92 PolarHBondContact O-N 3.46Å; G92-F94 PolarHBondContact O-N 3.11Å; G92-L95 PolarHBondContact O-N 3.05Å; G92-L96 PolarHBondContact O-N 3.09Å
93	A	83.4	Confident	76.3	Confident	64 Å²	64	102.8 Å²	102.8	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-64	-38.6	177	0	0	0	0	0	112.5	I89 L96 G97	I89-A93 WeakPolarHBondContact O-CB 3.49Å; I89-A93 PolarHBondContact O-N 3.02Å; A93-L96 PolarHBondContact O-N 3.03Å; A93-G97 PolarHBondContact O-N 3.17Å
94	F	82.4	Confident	75	Confident	135 Å²	135	103.2 Å²	103.2	59%	0.592	58%	0.582	S	S	*	*	H	α-helix	trans	-66.2	-41.1	176.7	-176.4	-96.1	0	0	0	112.4	F90 T91 G92 G97 Y98	F90-F94 VanDerWaalsContact O-CB 3.29Å; F90-F94 WeakPolarHBondContact O-CB 3.34Å; F90-F94 PolarHBondContact O-N 3.11Å; T91-F94 PolarHBondContact O-N 3.13Å; G92-F94 PolarHBondContact O-N 3.11Å; F94-G97 PolarHBondContact O-N 3.08Å; F94-Y98 VanDerWaalsContact O-CB 3.27Å; F94-Y98 WeakPolarHBondContact O-CB 3.42Å; F94-Y98 PolarHBondContact O-N 2.91Å
95	L	79.7	Confident	73.5	Confident	106 Å²	106	103.8 Å²	103.8	56%	0.555	60%	0.595	S	S	*	*	H	α-helix	trans	-67.2	-40.5	176	-79	165.1	0	0	0	111.8	T91 G92 Y98 V99	T91-L95 WeakPolarHBondContact O-CB 3.5Å; T91-L95 WeakPolarHBondContact O-CG 3.25Å; T91-L95 PolarHBondContact O-N 2.99Å; G92-L95 PolarHBondContact O-N 3.05Å; L95-Y98 PolarHBondContact O-N 3.44Å; L95-V99 WeakPolarHBondContact O-CG2 3.2Å; L95-V99 PolarHBondContact O-N 3.4Å
96	L	78.1	Confident	71.3	Confident	141 Å²	141	109 Å²	109	74%	0.738	61%	0.614	S	S	*	*	H	α-helix	trans	-63.3	-43.3	174.8	-124	111.5	0	0	0	111.5	G92 A93 V99 A100	G92-L96 PolarHBondContact O-N 3.09Å; A93-L96 PolarHBondContact O-N 3.03Å; L96-V99 PolarHBondContact O-N 3.26Å; L96-A100 WeakPolarHBondContact O-CB 3.28Å; L96-A100 PolarHBondContact O-N 3.21Å
97	G	76.3	Confident	69.1	Low	38 Å²	38	113.2 Å²	113.2	39%	0.392	63%	0.634	S	S	.	*	H	α-helix	trans	-63	-40.1	174.1	0	0	0	0	0	112.8	A93 F94 A100 F101	A93-G97 PolarHBondContact O-N 3.17Å; F94-G97 PolarHBondContact O-N 3.08Å; G97-A100 PolarHBondContact O-N 3.16Å; G97-F101 WeakPolarHBondContact O-CB 3.26Å; G97-F101 PolarHBondContact O-N 3.35Å
98	Y	75.9	Confident	66.8	Low	107 Å²	107	114.7 Å²	114.7	42%	0.42	65%	0.652	S	S	.	*	H	α-helix	trans	-66.6	-38.5	178	-177.8	-101	0	0	0	112.8	F94 L95 R102	F94-Y98 VanDerWaalsContact O-CB 3.27Å; F94-Y98 WeakPolarHBondContact O-CB 3.42Å; F94-Y98 PolarHBondContact O-N 2.91Å; L95-Y98 PolarHBondContact O-N 3.44Å; Y98-R102 PolarHBondContact O-N 2.91Å; Y98-R102 PolarHBondContact OH-NE 2.93Å; Y98-R102 VanDerWaalsContact OH-NE 3.13Å; Y98-R102 PolarHBondContact OH-NH1 3.43Å; Y98-R102 PolarHBondContact OH-NH2 2.98Å; Y98-R102 VanDerWaalsContact OH-NH2 3.11Å
99	V	74.1	Confident	64.2	Low	108 Å²	108	112.9 Å²	112.9	66%	0.655	66%	0.661	S	S	*	*	H	α-helix	trans	-70.5	-40.4	175.6	173.6	0	0	0	0	110.9	L95 L96 F101 R102	L95-V99 WeakPolarHBondContact O-CG2 3.2Å; L95-V99 PolarHBondContact O-N 3.4Å; L96-V99 PolarHBondContact O-N 3.26Å; V99-F101 VanDerWaalsContact C-N 3.31Å; V99-F101 PolarHBondContact O-N 2.85Å; V99-R102 PolarHBondContact O-N 3Å
100	A	68.1	Low	61.6	Low	79 Å²	79	115 Å²	115	65%	0.653	67%	0.674	S	S	*	*	H	α-helix	trans	-65.1	-32.1	176.4	0	0	0	0	0	113	L96 G97	L96-A100 WeakPolarHBondContact O-CB 3.28Å; L96-A100 PolarHBondContact O-N 3.21Å; G97-A100 PolarHBondContact O-N 3.16Å
101	F	56.9	Low	58.9	Low	187 Å²	187	113.8 Å²	113.8	82%	0.82	68%	0.684	S	S	*	*	H	α-helix	trans	-90.2	-12	-178.9	-115.2	-91.5	0	0	0	115.2	G97 V99	G97-F101 WeakPolarHBondContact O-CB 3.26Å; G97-F101 PolarHBondContact O-N 3.35Å; V99-F101 VanDerWaalsContact C-N 3.31Å; V99-F101 PolarHBondContact O-N 2.85Å
102	R	50.5	Low	56.8	Low	192 Å²	192	117.4 Å²	117.4	73%	0.725	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-1.8	177.1	-106.8	-166.9	173.5	-170.5	-0	114.8	Y98 V99	Y98-R102 PolarHBondContact O-N 2.91Å; Y98-R102 PolarHBondContact OH-NE 2.93Å; Y98-R102 VanDerWaalsContact OH-NE 3.13Å; Y98-R102 PolarHBondContact OH-NH1 3.43Å; Y98-R102 PolarHBondContact OH-NH2 2.98Å; Y98-R102 VanDerWaalsContact OH-NH2 3.11Å; V99-R102 PolarHBondContact O-N 3Å
103	G	50.7	Low	53.9	Low	70 Å²	70	123.7 Å²	123.7	72%	0.722	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	2.3	-177.1	0	0	0	0	0	117
104	S	47.3	Very low	51.6	Low	104 Å²	104	126.5 Å²	126.5	73%	0.727	74%	0.74	S	S	*	*	S	Bend	trans	-148.1	83.7	-177.1	-170.7	0	0	0	0	113
105	C	44.1	Very low	49.1	Very low	128 Å²	128	126.6 Å²	126.6	87%	0.865	75%	0.752	S	S	*	*			trans	-177.2	79.7	148.1	-109	0	0	0	0	110.1
106	Q	36.5	Very low	46.8	Very low	187 Å²	187	126.4 Å²	126.4	87%	0.874	76%	0.759	S	S	*	*			trans	-150.4	85.4	155.3	-107	-178.5	-6	0	0	107.7
107	T	34.8	Very low	44.6	Very low	144 Å²	144	128.6 Å²	128.6	88%	0.883	77%	0.766	S	S	*	*			trans	174.6	79.1	147.8	27.9	0	0	0	0	109.2
108	C	35.4	Very low	42.5	Very low	142 Å²	142	134.4 Å²	134.4	96%	0.959	79%	0.788	S	S	*	*			trans	-133.4	111.9	152.2	-83.3	0	0	0	0	105.6
109	G	30	Very low	40.4	Very low	77 Å²	77	135.9 Å²	135.9	79%	0.794	81%	0.808	S	S	*	*			trans	159.2	104.9	178.7	0	0	0	0	0	111.7
110	D	34.4	Very low	38.2	Very low	162 Å²	162	138.1 Å²	138.1	87%	0.866	82%	0.816	S	S	*	*			trans	-41.8	142.2	172.5	-72.8	-44.7	0	0	0	114.4
111	S	29.4	Very low	36.4	Very low	123 Å²	123	144.6 Å²	144.6	86%	0.86	83%	0.825	S	S	*	*			trans	-172.1	121.8	136.4	-76.2	0	0	0	0	111.4
112	V	35.8	Very low	35	Very low	137 Å²	137	144 Å²	144	83%	0.83	83%	0.825	S	S	*	*			trans	-55.1	129.5	162.8	171.7	0	0	0	0	110.5
113	L	28	Very low	34.2	Very low	166 Å²	166	139.6 Å²	139.6	87%	0.869	82%	0.821	S	S	*	*			trans	-173.3	127.2	139.7	-103.4	158.4	0	0	0	111.7
114	V	36.2	Very low	33.2	Very low	123 Å²	123	144 Å²	144	75%	0.745	83%	0.828	S	S	*	*			trans	-57.5	138.2	166.7	174.4	0	0	0	0	110.2
115	V	28.2	Very low	32.6	Very low	137 Å²	137	146.8 Å²	146.8	83%	0.83	83%	0.834	S	S	*	*				-174.6	132.1	126.9	164.9	0	0	0	0	108.8
116	S	33.2	Very low	32.2	Very low	103 Å²	103	147.9 Å²	147.9	72%	0.72	83%	0.831	S	S	*	*			trans	-55.8	147.8	175.2	-44.3	0	0	0	0	114.3
117	E	31	Very low	32.1	Very low	187 Å²	187	148 Å²	148	87%	0.874	83%	0.829	S	S	*	*			trans	-156.3	127.8	139.3	-116.5	171.3	-170.2	0	0	109.9	V119	E117-V119 PolarHBondContact O-N 3.27Å
118	D	32	Very low	32	Very low	160 Å²	160	150.5 Å²	150.5	86%	0.856	83%	0.83	S	S	*	*			trans	-58.6	122.5	178.1	-67.1	-57.8	0	0	0	110.9
119	V	31.1	Very low	32.5	Very low	138 Å²	138	152.1 Å²	152.1	84%	0.836	82%	0.816	S	S	*	*			trans	-111.5	104.2	161	-176.4	0	0	0	0	107.2	E117 Y121	E117-V119 PolarHBondContact O-N 3.27Å; V119-Y121 PolarHBondContact O-N 3.17Å
120	N	29.1	Very low	33.8	Very low	154 Å²	154	151.4 Å²	151.4	82%	0.824	81%	0.81	S	S	*	*			trans	-50	107.8	169.2	-85.5	-28.6	0	0	0	109.8	E122	N120-E122 PolarHBondContact O-N 2.94Å
121	Y	29.6	Very low	35.6	Very low	215 Å²	215	148.9 Å²	148.9	84%	0.843	80%	0.8	S	S	*	*			trans	-79.1	103.3	158	-146.4	-89.8	0	0	0	105.8	V119 P123	V119-Y121 PolarHBondContact O-N 3.17Å; Y121-P123 VanDerWaalsContact O-CD 3.3Å; Y121-P123 WeakPolarHBondContact O-CD 3.38Å
122	E	27.2	Very low	38.3	Very low	174 Å²	174	145.3 Å²	145.3	81%	0.813	77%	0.771	S	S	*	*			trans	-59.4	118.2	162.9	-79.4	-173.4	155	0	0	106.9	N120 D124	N120-E122 PolarHBondContact O-N 2.94Å; E122-D124 PolarHBondContact O-N 3.48Å
123	P	33.9	Very low	40.9	Very low	101 Å²	101	146.1 Å²	146.1	66%	0.656	76%	0.76	S	S	*	*			trans	-71.4	122.7	172.8	20.6	-13.6	0	0	0	107	Y121 L125	Y121-P123 VanDerWaalsContact O-CD 3.3Å; Y121-P123 WeakPolarHBondContact O-CD 3.38Å; P123-L125 PolarHBondContact O-N 2.89Å
124	D	29.7	Very low	43.9	Very low	162 Å²	162	140.5 Å²	140.5	87%	0.866	73%	0.728	S	S	*	*			trans	-48.5	110.1	162.1	-96.1	-32.3	0	0	0	108.1	E122 D126	E122-D124 PolarHBondContact O-N 3.48Å; D124-D126 PolarHBondContact O-N 3.16Å
125	L	36	Very low	46.6	Very low	162 Å²	162	138.1 Å²	138.1	85%	0.848	72%	0.716	S	S	*	*			trans	-75.8	65.5	174.4	-87.6	155.9	0	0	0	108.9	P123	P123-L125 PolarHBondContact O-N 2.89Å
126	D	34.8	Very low	49.9	Very low	152 Å²	152	134.9 Å²	134.9	81%	0.813	69%	0.694	S	S	*	*			trans	-106.5	86.9	160.2	-100.2	-13.7	0	0	0	109	D124	D124-D126 PolarHBondContact O-N 3.16Å
127	F	33.9	Very low	52.9	Low	189 Å²	189	130 Å²	130	83%	0.829	66%	0.66	S	S	*	*			trans	28.7	120.7	151.6	-84.5	-95	0	0	0	118.9	R129	F127-R129 PolarHBondContact O-N 3.44Å
128	H	33.4	Very low	56	Low	196 Å²	196	122.8 Å²	122.8	91%	0.907	63%	0.627	S	S	*	*			trans	-34.7	95.3	154.2	-61.5	-40.9	0	0	0	114.2
129	R	45.1	Very low	59	Low	176 Å²	176	118.1 Å²	118.1	66%	0.664	61%	0.61	S	S	*	*			trans	-115.8	105.1	143	-82.5	-173.1	-179.8	-179.3	0.2	106.2	F127	F127-R129 PolarHBondContact O-N 3.44Å
130	G	57	Low	62.1	Low	63 Å²	63	112.8 Å²	112.8	65%	0.649	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-55	154.4	176.6	0	0	0	0	0	111.4	L132	G130-L132 PolarHBondContact O-N 3.5Å; G130-L132 VanDerWaalsContact O-N 3.12Å
131	T	73.4	Confident	65.4	Low	109 Å²	109	105.5 Å²	105.5	67%	0.669	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-54.5	117.7	170.5	-48.3	0	0	0	0	108.8	Y133	T131-Y133 VanDerWaalsContact O-CD2 3.28Å; T131-Y133 WeakPolarHBondContact O-CD2 3.45Å; T131-Y133 WeakPolarHBondContact O-CE2 2.85Å; T131-Y133 PolarHBondContact O-N 2.96Å
132	L	86.5	Confident	68.6	Low	48 Å²	48	98.3 Å²	98.3	25%	0.251	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-72.4	123.1	177.1	-66.1	171.3	0	0	0	108.8	G130 D136 L137 M140	G130-L132 PolarHBondContact O-N 3.5Å; G130-L132 VanDerWaalsContact O-N 3.12Å; L132-D136 HydrophobicContact CB-CB 4.44Å; L132-D136 HydrophobicContact CD2-CB 3.93Å; L132-L137 HydrophobicContact CB-CD2 3.81Å; L132-L137 HydrophobicContact CB-CG 4.07Å; L132-L137 HydrophobicContact CD1-CD2 3.77Å; L132-L137 HydrophobicContact CG-CD2 4.39Å; L132-M140 HydrophobicContact CD1-CE 3.87Å; L132-M140 HydrophobicContact CD2-CE 4.23Å
133	Y	89.6	Confident	71.9	Confident	154 Å²	154	95.6 Å²	95.6	60%	0.604	50%	0.5	S	S	*	.			trans	-93.3	174.3	174.8	-65.9	-83	0	0	0	111.1	T131 S135 D136 L137	T131-Y133 VanDerWaalsContact O-CD2 3.28Å; T131-Y133 WeakPolarHBondContact O-CD2 3.45Å; T131-Y133 WeakPolarHBondContact O-CE2 2.85Å; T131-Y133 PolarHBondContact O-N 2.96Å; Y133-S135 VanDerWaalsContact C-N 3.29Å; Y133-S135 PolarHBondContact O-N 3.33Å; Y133-D136 PolarHBondContact N-OD2 2.99Å; Y133-D136 PolarHBondContact O-N 2.99Å; Y133-L137 PolarHBondContact O-N 2.85Å
134	W	91.9	Very high	74.9	Confident	48 Å²	48	91.8 Å²	91.8	18%	0.182	47%	0.474	C	S	.	.	H	α-helix	trans	-49.1	-47.6	179.1	170.7	-108.6	0	0	0	113.2	D136 L137 Q138 Q532 Q625 I628 R629	W134-D136 VanDerWaalsContact C-N 3.3Å; W134-D136 PolarHBondContact O-N 3.25Å; W134-L137 PolarHBondContact O-N 2.98Å; W134-Q138 HydrophobicContact CZ2-CB 4.45Å; W134-Q138 VanDerWaalsContact O-CB 3.27Å; W134-Q138 WeakPolarHBondContact O-CB 3.43Å; W134-Q138 PolarHBondContact O-N 3Å; W134-Q532 VanDerWaalsContact CZ2-OE1 3.31Å; W134-Q625 HydrophobicContact CH2-CB 4.06Å; W134-Q625 HydrophobicContact CH2-CG 4.3Å; W134-I628 HydrophobicContact CE3-CG2 3.93Å; W134-I628 HydrophobicContact CZ3-CB 3.79Å; W134-I628 HydrophobicContact CZ3-CG2 3.49Å; W134-I628 VanDerWaalsContact CZ3-CG2 3.49Å; W134-R629 VanDerWaalsContact CE3-CD 3.41Å; W134-R629 HydrophobicContact CE3-CG 4.23Å; W134-R629 VanDerWaalsContact CH2-CD 3.46Å; W134-R629 HydrophobicContact CH2-CG 3.56Å; W134-R629 HydrophobicContact CZ2-CG 4.36Å; W134-R629 HydrophobicContact CZ3-CG 3.48Å; W134-R629 VanDerWaalsContact CZ3-CG 3.48Å
135	S	93.1	Very high	78	Confident	72 Å²	72	84.3 Å²	84.3	50%	0.503	43%	0.434	S	S	.	.	H	α-helix	trans	-61.3	-38.6	179.7	51.4	0	0	0	0	112.7	Y133 A139	Y133-S135 VanDerWaalsContact C-N 3.29Å; Y133-S135 PolarHBondContact O-N 3.33Å; S135-A139 VanDerWaalsContact O-CB 3.32Å; S135-A139 WeakPolarHBondContact O-CB 3.35Å; S135-A139 PolarHBondContact O-N 2.98Å
136	D	95.5	Very high	80.6	Confident	70 Å²	70	79 Å²	79	37%	0.374	42%	0.418	S	S	.	.	H	α-helix	trans	-70.5	-43.5	-179.5	-50.9	-42.1	0	0	0	110.5	L132 Y133 W134 A139 M140	L132-D136 HydrophobicContact CB-CB 4.44Å; L132-D136 HydrophobicContact CD2-CB 3.93Å; Y133-D136 PolarHBondContact N-OD2 2.99Å; Y133-D136 PolarHBondContact O-N 2.99Å; W134-D136 VanDerWaalsContact C-N 3.3Å; W134-D136 PolarHBondContact O-N 3.25Å; D136-A139 PolarHBondContact O-N 3.41Å; D136-M140 VanDerWaalsContact O-CB 3.24Å; D136-M140 WeakPolarHBondContact O-CB 3.25Å; D136-M140 PolarHBondContact O-N 3.31Å
137	L	96.4	Very high	83.2	Confident	1 Å²	1	77 Å²	77	1%	0.005	40%	0.403	C	S	.	.	H	α-helix	trans	-66.6	-40.5	177.5	-66.3	178.8	0	0	0	112	L132 Y133 W134 F141 M457 F462 I628 H632	L132-L137 HydrophobicContact CB-CD2 3.81Å; L132-L137 HydrophobicContact CB-CG 4.07Å; L132-L137 HydrophobicContact CD1-CD2 3.77Å; L132-L137 HydrophobicContact CG-CD2 4.39Å; Y133-L137 PolarHBondContact O-N 2.85Å; W134-L137 PolarHBondContact O-N 2.98Å; L137-F141 WeakPolarHBondContact O-CB 3.49Å; L137-F141 PolarHBondContact O-N 2.7Å; L137-M457 HydrophobicContact CB-CE 4.38Å; L137-M457 HydrophobicContact CD2-CE 4.3Å; L137-M457 WeakPolarHBondContact O-CE 3.4Å; L137-F462 HydrophobicContact CD1-CD2 3.85Å; L137-F462 HydrophobicContact CD1-CE2 3.79Å; L137-F462 HydrophobicContact CD2-CB 3.97Å; L137-F462 HydrophobicContact CD2-CD2 3.39Å; L137-F462 HydrophobicContact CD2-CE2 4.15Å; L137-F462 HydrophobicContact CD2-CG 3.9Å; L137-F462 HydrophobicContact CG-CD2 4.27Å; L137-I628 HydrophobicContact CB-CG2 4.08Å; L137-I628 HydrophobicContact CD1-CG2 4.07Å; L137-H632 HydrophobicContact CD1-CB 4.24Å; L137-H632 WeakPolarHBondContact CD1-CD2 3.28Å
138	Q	95.8	Very high	85.5	Confident	35 Å²	35	69.1 Å²	69.1	16%	0.164	38%	0.376	C	S	.	.	H	α-helix	trans	-63.5	-47.7	175.6	-178	178.2	38.5	0	0	111.1	W134 M140 F141 L142	W134-Q138 HydrophobicContact CZ2-CB 4.45Å; W134-Q138 VanDerWaalsContact O-CB 3.27Å; W134-Q138 WeakPolarHBondContact O-CB 3.43Å; W134-Q138 PolarHBondContact O-N 3Å; Q138-M140 PolarHBondContact O-N 3.25Å; Q138-F141 PolarHBondContact O-N 2.99Å; Q138-L142 HydrophobicContact CG-CD1 4.18Å; Q138-L142 WeakPolarHBondContact O-CG 3.32Å; Q138-L142 PolarHBondContact O-N 2.77Å
139	A	96.2	Very high	88	Confident	61 Å²	61	68.2 Å²	68.2	50%	0.504	36%	0.364	S	S	.	.	H	α-helix	trans	-61.3	-45.1	177.5	0	0	0	0	0	111.7	S135 D136 F141 L142 Q143	S135-A139 VanDerWaalsContact O-CB 3.32Å; S135-A139 WeakPolarHBondContact O-CB 3.35Å; S135-A139 PolarHBondContact O-N 2.98Å; D136-A139 PolarHBondContact O-N 3.41Å; A139-F141 PolarHBondContact O-N 3.46Å; A139-L142 PolarHBondContact O-N 2.73Å; A139-Q143 WeakPolarHBondContact O-CB 3.47Å; A139-Q143 PolarHBondContact O-N 2.88Å
140	M	96.9	Very high	90.1	Very high	27 Å²	27	60.5 Å²	60.5	13%	0.133	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-43.8	176	-174.5	-171	-63	0	0	111.9	L132 D136 Q138 Q143 F144 M457 N460	L132-M140 HydrophobicContact CD1-CE 3.87Å; L132-M140 HydrophobicContact CD2-CE 4.23Å; D136-M140 VanDerWaalsContact O-CB 3.24Å; D136-M140 WeakPolarHBondContact O-CB 3.25Å; D136-M140 PolarHBondContact O-N 3.31Å; Q138-M140 PolarHBondContact O-N 3.25Å; M140-Q143 PolarHBondContact O-N 3.25Å; M140-F144 HydrophobicContact CG-CD2 3.74Å; M140-F144 HydrophobicContact CG-CE2 3.48Å; M140-F144 VanDerWaalsContact CG-CE2 3.48Å; M140-F144 VanDerWaalsContact O-CD2 3.23Å; M140-F144 WeakPolarHBondContact O-CD2 3.39Å; M140-F144 PolarHBondContact O-N 2.97Å; M140-F144 HydrophobicContact SD-CE2 4.15Å; M140-M457 HydrophobicContact CG-CG 4.05Å; M140-M457 HydrophobicContact SD-CB 3.92Å; M140-M457 HydrophobicContact SD-CE 4.41Å; M140-M457 HydrophobicContact SD-CG 3.95Å; M140-N460 HydrophobicContact SD-CB 4.25Å
141	F	97.6	Very high	91.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-49.2	177.4	171.3	-98.7	0	0	0	111.7	L137 Q138 A139 Q143 F144 L145 L450 T453 F454 M457 Q625 I628	L137-F141 WeakPolarHBondContact O-CB 3.49Å; L137-F141 PolarHBondContact O-N 2.7Å; Q138-F141 PolarHBondContact O-N 2.99Å; A139-F141 PolarHBondContact O-N 3.46Å; F141-Q143 VanDerWaalsContact C-N 3.31Å; F141-Q143 PolarHBondContact O-N 2.95Å; F141-F144 PolarHBondContact O-N 2.88Å; F141-L145 HydrophobicContact CE1-CD2 3.9Å; F141-L145 HydrophobicContact CZ-CB 4.47Å; F141-L145 HydrophobicContact CZ-CD2 3.85Å; F141-L145 VanDerWaalsContact O-CB 3.25Å; F141-L145 WeakPolarHBondContact O-CB 3.45Å; F141-L145 PolarHBondContact O-N 3.01Å; F141-L450 HydrophobicContact CE2-CD2 3.91Å; F141-L450 HydrophobicContact CZ-CD2 4.01Å; F141-T453 HydrophobicContact CD2-CG2 3.53Å; F141-T453 HydrophobicContact CE2-CG2 3.7Å; F141-T453 HydrophobicContact CG-CG2 4.45Å; F141-F454 HydrophobicContact CD2-CE2 4.5Å; F141-F454 HydrophobicContact CE2-CE2 4.14Å; F141-M457 HydrophobicContact CB-CE 3.87Å; F141-M457 HydrophobicContact CB-SD 3.69Å; F141-M457 HydrophobicContact CD2-SD 3.8Å; F141-M457 HydrophobicContact CG-SD 4.24Å; F141-Q625 HydrophobicContact CD1-CG 4.48Å; F141-Q625 HydrophobicContact CE1-CG 4.44Å; F141-I628 HydrophobicContact CB-CD1 3.6Å; F141-I628 HydrophobicContact CD1-CD1 4.32Å; F141-I628 HydrophobicContact CD2-CD1 3.96Å; F141-I628 HydrophobicContact CG-CD1 3.69Å
142	L	96.1	Very high	92.5	Very high	64 Å²	64	58.7 Å²	58.7	34%	0.335	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-39	179.4	-70.2	175.5	0	0	0	111.9	Q138 A139 G146 Q621	Q138-L142 HydrophobicContact CG-CD1 4.18Å; Q138-L142 WeakPolarHBondContact O-CG 3.32Å; Q138-L142 PolarHBondContact O-N 2.77Å; A139-L142 PolarHBondContact O-N 2.73Å; L142-G146 PolarHBondContact O-N 3.39Å; L142-Q621 HydrophobicContact CD2-CG 3.82Å
143	Q	96.3	Very high	92.8	Very high	117 Å²	117	57.9 Å²	57.9	55%	0.547	30%	0.302	S	S	.	.	H	α-helix	trans	-58.8	-56.6	174	179.6	-174.3	-13.2	0	0	110.7	A139 M140 F141 L145 G146 E147	A139-Q143 WeakPolarHBondContact O-CB 3.47Å; A139-Q143 PolarHBondContact O-N 2.88Å; M140-Q143 PolarHBondContact O-N 3.25Å; F141-Q143 VanDerWaalsContact C-N 3.31Å; F141-Q143 PolarHBondContact O-N 2.95Å; Q143-L145 PolarHBondContact O-N 3.36Å; Q143-G146 PolarHBondContact O-N 3.13Å; Q143-E147 PolarHBondContact O-N 3Å
144	F	96.7	Very high	93	Very high	22 Å²	22	50.5 Å²	50.5	10%	0.096	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-40.9	-177	-74.9	-53	0	0	0	111.9	M140 F141 G146 E147 R452 T453 M457 N460	M140-F144 HydrophobicContact CG-CD2 3.74Å; M140-F144 HydrophobicContact CG-CE2 3.48Å; M140-F144 VanDerWaalsContact CG-CE2 3.48Å; M140-F144 VanDerWaalsContact O-CD2 3.23Å; M140-F144 WeakPolarHBondContact O-CD2 3.39Å; M140-F144 PolarHBondContact O-N 2.97Å; M140-F144 HydrophobicContact SD-CE2 4.15Å; F141-F144 PolarHBondContact O-N 2.88Å; F144-G146 PolarHBondContact O-N 3.33Å; F144-E147 WeakPolarHBondContact O-CB 3.37Å; F144-E147 PolarHBondContact O-N 2.88Å; F144-E147 VanDerWaalsContact O-N 3.12Å; F144-R452 PolarHBondContact O-NH2 2.83Å; F144-T453 HydrophobicContact CB-CG2 3.87Å; F144-M457 HydrophobicContact CD2-CG 3.84Å; F144-M457 HydrophobicContact CE2-CG 4.42Å; F144-N460 HydrophobicContact CE2-CB 4.23Å; F144-N460 HydrophobicContact CZ-CB 4.27Å; F144-N460 VanDerWaalsContact CZ-ND2 3.27Å; F144-N460 WeakPolarHBondContact CZ-ND2 3.45Å
145	L	95.6	Very high	92.9	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-59.2	-37.6	176.7	-174.7	69.2	0	0	0	111.7	F141 Q143 E147 G148 E449 T453 Q617 A620 Q621	F141-L145 HydrophobicContact CE1-CD2 3.9Å; F141-L145 HydrophobicContact CZ-CB 4.47Å; F141-L145 HydrophobicContact CZ-CD2 3.85Å; F141-L145 VanDerWaalsContact O-CB 3.25Å; F141-L145 WeakPolarHBondContact O-CB 3.45Å; F141-L145 PolarHBondContact O-N 3.01Å; Q143-L145 PolarHBondContact O-N 3.36Å; L145-E147 VanDerWaalsContact C-N 3.28Å; L145-E147 PolarHBondContact O-N 2.97Å; L145-G148 PolarHBondContact O-N 3.16Å; L145-G148 VanDerWaalsContact O-N 3.14Å; L145-E449 HydrophobicContact CD1-CG 3.75Å; L145-T453 HydrophobicContact CB-CG2 4.28Å; L145-Q617 HydrophobicContact CD2-CG 4.39Å; L145-A620 HydrophobicContact CD1-CB 3.99Å; L145-A620 HydrophobicContact CD2-CB 4.2Å; L145-Q621 HydrophobicContact CD2-CB 4.3Å; L145-Q621 HydrophobicContact CD2-CG 3.34Å
146	G	89.7	Confident	92.8	Very high	50 Å²	50	55.7 Å²	55.7	52%	0.515	29%	0.287	S	S	.	.	H	α-helix	trans	-67.4	-20.9	177.6	0	0	0	0	0	115	L142 Q143 F144 G148	L142-G146 PolarHBondContact O-N 3.39Å; Q143-G146 PolarHBondContact O-N 3.13Å; F144-G146 PolarHBondContact O-N 3.33Å; G146-G148 PolarHBondContact O-N 3.13Å
147	E	89.9	Confident	92.3	Very high	109 Å²	109	52.9 Å²	52.9	51%	0.509	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-8.9	173.5	-63.3	172.1	-177	0	0	113	Q143 F144 L145	Q143-E147 PolarHBondContact O-N 3Å; F144-E147 WeakPolarHBondContact O-CB 3.37Å; F144-E147 PolarHBondContact O-N 2.88Å; F144-E147 VanDerWaalsContact O-N 3.12Å; L145-E147 VanDerWaalsContact C-N 3.28Å; L145-E147 PolarHBondContact O-N 2.97Å
148	G	81.8	Confident	91.9	Very high	24 Å²	24	53.2 Å²	53.2	25%	0.247	28%	0.275	C	S	.	.			trans	-69.4	167.9	-175.8	0	0	0	0	0	114.5	L145 G146 E449	L145-G148 PolarHBondContact O-N 3.16Å; L145-G148 VanDerWaalsContact O-N 3.14Å; G146-G148 PolarHBondContact O-N 3.13Å; G148-E449 WeakPolarHBondContact CA-OE1 3.41Å; G148-E449 VanDerWaalsContact CA-OE2 3.27Å; G148-E449 WeakPolarHBondContact CA-OE2 3.2Å
149	R	86.2	Confident	91.5	Very high	177 Å²	177	57.6 Å²	57.6	67%	0.668	30%	0.299	S	S	*	.			trans	-127.9	62.9	176.2	-61.4	-167.9	-170.6	-177.8	1.3	110.4	E151 D152 T153 E449	R149-E151 VanDerWaalsContact C-N 3.34Å; R149-E151 PolarHBondContact O-N 2.94Å; R149-D152 HydrophobicContact CB-CB 4.2Å; R149-D152 WeakPolarHBondContact CD-OD2 3.21Å; R149-D152 PolarHBondContact O-N 2.99Å; R149-T153 PolarHBondContact O-N 3.31Å; R149-T153 VanDerWaalsContact O-N 3.15Å; R149-T153 PolarHBondContact O-OG1 3.41Å; R149-E449 PolarHBondContact N-OE2 2.98Å
150	L	89.8	Confident	91.1	Very high	14 Å²	14	60.2 Å²	60.2	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-56.6	-46.2	-179.8	-82.3	169.8	0	0	0	111.8	D152 T153 I154 A445 I446 E449 Q617 A620	L150-D152 PolarHBondContact O-N 3.38Å; L150-T153 PolarHBondContact O-N 3.01Å; L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 PolarHBondContact O-N 3.42Å; L150-A445 HydrophobicContact CD2-CB 4.38Å; L150-I446 HydrophobicContact CD2-CG1 4.27Å; L150-E449 HydrophobicContact CD1-CG 4.42Å; L150-E449 HydrophobicContact CD2-CB 3.61Å; L150-E449 HydrophobicContact CD2-CG 3.85Å; L150-E449 HydrophobicContact CG-CB 4.23Å; L150-E449 HydrophobicContact CG-CG 3.91Å; L150-Q617 HydrophobicContact CD1-CB 4.09Å; L150-A620 HydrophobicContact CD1-CB 4.45Å
151	E	90.3	Very high	90.7	Very high	68 Å²	68	64.2 Å²	64.2	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-58.2	-50.2	-178.4	-171.7	179.6	167.3	0	0	112.6	R149 T153 I154 R155 Y601 P613	R149-E151 VanDerWaalsContact C-N 3.34Å; R149-E151 PolarHBondContact O-N 2.94Å; E151-T153 VanDerWaalsContact C-N 3.26Å; E151-T153 PolarHBondContact O-N 3.39Å; E151-I154 PolarHBondContact O-N 3.48Å; E151-R155 WeakPolarHBondContact O-CB 3.46Å; E151-R155 PolarHBondContact O-N 3.35Å; E151-R155 IonicContact OE1-CZ 3.75Å; E151-R155 IonicContact OE1-NH2 2.86Å; E151-R155 PolarHBondContact OE1-NH2 2.95Å; E151-Y601 VanDerWaalsContact CG-OH 3.29Å; E151-Y601 WeakPolarHBondContact CG-OH 3.44Å; E151-Y601 PolarHBondContact OE1-OH 3.49Å; E151-P613 HydrophobicContact CB-CB 4.21Å; E151-P613 HydrophobicContact CB-CG 3.82Å; E151-P613 HydrophobicContact CG-CG 3.81Å
152	D	91.6	Very high	90.5	Very high	66 Å²	66	64.3 Å²	64.3	35%	0.353	32%	0.315	S	S	.	.	H	α-helix	trans	-58.9	-42	178.7	-70.6	-21	0	0	0	110.9	R149 L150 R155 Q156	R149-D152 HydrophobicContact CB-CB 4.2Å; R149-D152 WeakPolarHBondContact CD-OD2 3.21Å; R149-D152 PolarHBondContact O-N 2.99Å; L150-D152 PolarHBondContact O-N 3.38Å; D152-R155 PolarHBondContact O-N 2.71Å; D152-Q156 WeakPolarHBondContact O-CB 3.4Å; D152-Q156 WeakPolarHBondContact O-CG 3.31Å; D152-Q156 PolarHBondContact O-N 3.19Å
153	T	91.9	Very high	90.3	Very high	31 Å²	31	63 Å²	63	19%	0.19	31%	0.31	C	S	.	.	H	α-helix	trans	-67.6	-43.8	-179.3	-53.4	0	0	0	0	111.4	R149 L150 E151 R155 T157 A445 L448	R149-T153 PolarHBondContact O-N 3.31Å; R149-T153 VanDerWaalsContact O-N 3.15Å; R149-T153 PolarHBondContact O-OG1 3.41Å; L150-T153 PolarHBondContact O-N 3.01Å; E151-T153 VanDerWaalsContact C-N 3.26Å; E151-T153 PolarHBondContact O-N 3.39Å; T153-R155 PolarHBondContact O-N 3.01Å; T153-T157 HydrophobicContact CG2-CG2 4.26Å; T153-T157 WeakPolarHBondContact O-CB 3.38Å; T153-T157 VanDerWaalsContact O-CG2 3.23Å; T153-T157 WeakPolarHBondContact O-CG2 3.3Å; T153-T157 PolarHBondContact O-N 2.67Å; T153-T157 PolarHBondContact O-OG1 3.43Å; T153-A445 HydrophobicContact CG2-CB 3.68Å; T153-L448 HydrophobicContact CG2-CD1 4.12Å
154	I	92.8	Very high	90.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-47.7	176.4	-61.7	163.1	0	0	0	109.2	L150 E151 T157 S158 V442 A445 Y601 L612 A616	L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 PolarHBondContact O-N 3.42Å; E151-I154 PolarHBondContact O-N 3.48Å; I154-T157 PolarHBondContact O-OG1 3.43Å; I154-S158 VanDerWaalsContact O-CB 3.31Å; I154-S158 WeakPolarHBondContact O-CB 3.23Å; I154-S158 PolarHBondContact O-N 3.3Å; I154-S158 PolarHBondContact O-OG 2.88Å; I154-V442 HydrophobicContact CD1-CG2 4.28Å; I154-V442 HydrophobicContact CG1-CG2 4.39Å; I154-V442 HydrophobicContact CG2-CG2 3.82Å; I154-A445 HydrophobicContact CB-CB 4.37Å; I154-A445 HydrophobicContact CG1-CB 3.44Å; I154-A445 VanDerWaalsContact CG1-CB 3.44Å; I154-Y601 HydrophobicContact CB-CE2 4.45Å; I154-Y601 HydrophobicContact CG2-CD2 3.87Å; I154-Y601 HydrophobicContact CG2-CE2 4.16Å; I154-L612 HydrophobicContact CD1-CG 4.41Å; I154-L612 HydrophobicContact CG2-CD2 4.29Å; I154-A616 HydrophobicContact CD1-CB 3.99Å
155	R	91.6	Very high	89.8	Confident	98 Å²	98	58.5 Å²	58.5	37%	0.37	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-49.7	-179.7	-170.3	177.9	-63.1	170.2	9.2	111.8	E151 D152 T153 T157 S158 L159 Y601	E151-R155 WeakPolarHBondContact O-CB 3.46Å; E151-R155 PolarHBondContact O-N 3.35Å; E151-R155 IonicContact OE1-CZ 3.75Å; E151-R155 IonicContact OE1-NH2 2.86Å; E151-R155 PolarHBondContact OE1-NH2 2.95Å; D152-R155 PolarHBondContact O-N 2.71Å; T153-R155 PolarHBondContact O-N 3.01Å; R155-T157 PolarHBondContact O-N 2.94Å; R155-S158 PolarHBondContact O-N 3.36Å; R155-L159 WeakPolarHBondContact O-CG 3.46Å; R155-L159 PolarHBondContact O-N 3.35Å; R155-Y601 HydrophobicContact CB-CD2 4.09Å; R155-Y601 HydrophobicContact CB-CE2 4.09Å; R155-Y601 HydrophobicContact CB-CG 4.33Å; R155-Y601 HydrophobicContact CG-CD1 4.15Å; R155-Y601 HydrophobicContact CG-CE1 4.4Å; R155-Y601 HydrophobicContact CG-CG 4.25Å; R155-Y601 VanDerWaalsContact NE-CE1 3.31Å; R155-Y601 PolarHBondContact NH2-OH 2.97Å; R155-Y601 VanDerWaalsContact NH2-OH 3.17Å
156	Q	89.8	Confident	89.7	Confident	130 Å²	130	59.1 Å²	59.1	61%	0.607	31%	0.305	S	S	*	.	H	α-helix	trans	-62.4	-43.1	-179	-73.8	173.3	15.3	0	0	112.5	D152 L159	D152-Q156 WeakPolarHBondContact O-CB 3.4Å; D152-Q156 WeakPolarHBondContact O-CG 3.31Å; D152-Q156 PolarHBondContact O-N 3.19Å; Q156-L159 PolarHBondContact O-N 3.25Å
157	T	85.7	Confident	89.9	Confident	12 Å²	12	60.8 Å²	60.8	7%	0.074	31%	0.314	C	S	.	.	H	α-helix	trans	-72.1	-30.1	-179.3	59.2	0	0	0	0	112.1	T153 I154 R155 L159 R162	T153-T157 HydrophobicContact CG2-CG2 4.26Å; T153-T157 WeakPolarHBondContact O-CB 3.38Å; T153-T157 VanDerWaalsContact O-CG2 3.23Å; T153-T157 WeakPolarHBondContact O-CG2 3.3Å; T153-T157 PolarHBondContact O-N 2.67Å; T153-T157 PolarHBondContact O-OG1 3.43Å; I154-T157 PolarHBondContact O-OG1 3.43Å; R155-T157 PolarHBondContact O-N 2.94Å; T157-L159 VanDerWaalsContact C-N 3.31Å; T157-L159 PolarHBondContact O-N 2.87Å; T157-R162 PolarHBondContact O-NH1 3.32Å
158	S	88.1	Confident	90	Very high	7 Å²	7	56.3 Å²	56.3	5%	0.049	30%	0.297	C	S	.	.	H	α-helix	trans	-71.8	-20.2	177.2	-56	0	0	0	0	114	I154 R155 R160 A441	I154-S158 VanDerWaalsContact O-CB 3.31Å; I154-S158 WeakPolarHBondContact O-CB 3.23Å; I154-S158 PolarHBondContact O-N 3.3Å; I154-S158 PolarHBondContact O-OG 2.88Å; R155-S158 PolarHBondContact O-N 3.36Å; S158-R160 VanDerWaalsContact C-N 3.34Å; S158-A441 WeakPolarHBondContact OG-CB 3.27Å
159	L	87.9	Confident	90.5	Very high	128 Å²	128	55.3 Å²	55.3	67%	0.67	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.1	-179.3	-70.6	171.2	0	0	0	113.9	R155 Q156 T157	R155-L159 WeakPolarHBondContact O-CG 3.46Å; R155-L159 PolarHBondContact O-N 3.35Å; Q156-L159 PolarHBondContact O-N 3.25Å; T157-L159 VanDerWaalsContact C-N 3.31Å; T157-L159 PolarHBondContact O-N 2.87Å
160	R	85.9	Confident	90.9	Very high	116 Å²	116	49.4 Å²	49.4	44%	0.438	28%	0.275	S	S	.	.	S	Bend	trans	-84.3	153	179.7	-62	-65.3	-158.4	171.1	8.5	110.2	S158 R162 L172 D175	S158-R160 VanDerWaalsContact C-N 3.34Å; R160-R162 WeakPolarHBondContact O-CG 3.35Å; R160-L172 HydrophobicContact CG-CD1 4.45Å; R160-D175 IonicContact CZ-OD2 3.2Å; R160-D175 IonicContact NE-OD2 3.66Å; R160-D175 IonicContact NH2-OD2 2.68Å; R160-D175 PolarHBondContact NH2-OD2 3.03Å
161	E	89.1	Confident	91.1	Very high	111 Å²	111	50.7 Å²	50.7	52%	0.519	29%	0.287	S	S	.	.			trans	-71.8	130.1	164.2	174.2	-170.4	-155.2	0	0	108.9	G168 M169	E161-G168 CarbonylContact O-C 3.41Å; E161-G168 PolarHBondContact OE2-N 3.33Å; E161-M169 PolarHBondContact O-N 3.47Å
162	R	92.9	Very high	91.3	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.008	27%	0.273	C	S	.	.			trans	-122.7	9.8	-169.5	-57.4	-178.6	80.4	120	-6.4	114.3	T157 R160 A164 M169 L172 R430 D431 S432 P435 S440 T444	T157-R162 PolarHBondContact O-NH1 3.32Å; R160-R162 WeakPolarHBondContact O-CG 3.35Å; R162-A164 PolarHBondContact O-N 2.93Å; R162-M169 VanDerWaalsContact C-CE 3.48Å; R162-M169 HydrophobicContact CB-CE 3.98Å; R162-M169 WeakPolarHBondContact O-CE 3.49Å; R162-L172 HydrophobicContact CG-CD2 4.21Å; R162-R430 PolarHBondContact NE-O 3.48Å; R162-R430 PolarHBondContact NH2-O 3.3Å; R162-D431 CarbonylContact O-C 3.52Å; R162-D431 WeakPolarHBondContact O-CA 3.3Å; R162-D431 WeakPolarHBondContact O-CB 3.45Å; R162-S432 CarbonylContact C-O 3.59Å; R162-S432 VanDerWaalsContact CB-OG 3.27Å; R162-S432 WeakPolarHBondContact CB-OG 3.36Å; R162-S432 PolarHBondContact O-N 2.96Å; R162-S432 VanDerWaalsContact O-O 3.12Å; R162-P435 WeakPolarHBondContact CD-O 3.26Å; R162-S440 PolarHBondContact NH2-OG 3.25Å; R162-T444 PolarHBondContact NH2-OG1 3.34Å
163	V	93.4	Very high	91.4	Very high	37 Å²	37	44.8 Å²	44.8	22%	0.224	26%	0.258	C	S	.	.			trans	-66.1	130.2	179.1	-177.3	0	0	0	0	109.6	G165 S166 M169 F199 S432 W433	V163-G165 PolarHBondContact O-N 2.9Å; V163-S166 WeakPolarHBondContact O-CB 3.38Å; V163-S166 PolarHBondContact O-N 3.12Å; V163-S166 PolarHBondContact O-OG 3.37Å; V163-M169 VanDerWaalsContact O-CB 3.26Å; V163-M169 WeakPolarHBondContact O-CB 3.43Å; V163-F199 HydrophobicContact CG1-CE1 4.47Å; V163-S432 WeakPolarHBondContact CA-O 3.45Å; V163-S432 PolarHBondContact N-O 2.97Å; V163-W433 WeakPolarHBondContact CG2-O 3.43Å
164	A	93.1	Very high	91.5	Very high	2 Å²	2	48 Å²	48	2%	0.017	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	132.1	178.4	0	0	0	0	0	111.1	R162 S166 L197 D431 F478	R162-A164 PolarHBondContact O-N 2.93Å; A164-S166 VanDerWaalsContact C-N 3.29Å; A164-S166 PolarHBondContact O-N 3.15Å; A164-L197 HydrophobicContact CB-CD1 4.04Å; A164-D431 HydrophobicContact CB-CB 4.12Å; A164-F478 HydrophobicContact CB-CD2 4.25Å; A164-F478 HydrophobicContact CB-CE2 3.94Å
165	G	89.9	Confident	91.6	Very high	42 Å²	42	51.3 Å²	51.3	43%	0.433	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-4.3	-176.1	0	0	0	0	0	116.5	V163	V163-G165 PolarHBondContact O-N 2.9Å
166	S	92.8	Very high	91.8	Very high	18 Å²	18	46.9 Å²	46.9	13%	0.126	27%	0.273	C	S	.	.	S	Bend	trans	-75.2	161.7	177.3	67.7	0	0	0	0	112.9	V163 A164 G168 M169 A170	V163-S166 WeakPolarHBondContact O-CB 3.38Å; V163-S166 PolarHBondContact O-N 3.12Å; V163-S166 PolarHBondContact O-OG 3.37Å; A164-S166 VanDerWaalsContact C-N 3.29Å; A164-S166 PolarHBondContact O-N 3.15Å; S166-G168 VanDerWaalsContact C-N 3.3Å; S166-G168 PolarHBondContact O-N 3.47Å; S166-M169 PolarHBondContact O-N 2.96Å; S166-M169 WeakPolarHBondContact OG-CB 3.46Å; S166-M169 PolarHBondContact OG-N 3.11Å; S166-M169 VanDerWaalsContact OG-N 3.09Å; S166-A170 PolarHBondContact O-N 3.43Å
167	A	92.6	Very high	92.1	Very high	84 Å²	84	45.6 Å²	45.6	69%	0.694	26%	0.262	S	S	*	.	H	α-helix	trans	-63.9	-36.6	174	0	0	0	0	0	111.9	A170 A171	A167-A170 PolarHBondContact O-N 3.03Å; A167-A171 PolarHBondContact O-N 3.45Å
168	G	92.3	Very high	92.5	Very high	15 Å²	15	46.5 Å²	46.5	16%	0.155	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-42.6	173.5	0	0	0	0	0	112.9	E161 S166 A170 A171 L172	E161-G168 CarbonylContact O-C 3.41Å; E161-G168 PolarHBondContact OE2-N 3.33Å; S166-G168 VanDerWaalsContact C-N 3.3Å; S166-G168 PolarHBondContact O-N 3.47Å; G168-A170 PolarHBondContact O-N 3.45Å; G168-A171 PolarHBondContact O-N 3.06Å; G168-L172 PolarHBondContact O-N 3.15Å
169	M	93.8	Very high	92.8	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-41.1	175.1	179.7	49.6	68.9	0	0	112.1	E161 R162 V163 S166 A171 L172 T173 R430 D431	E161-M169 PolarHBondContact O-N 3.47Å; R162-M169 VanDerWaalsContact C-CE 3.48Å; R162-M169 HydrophobicContact CB-CE 3.98Å; R162-M169 WeakPolarHBondContact O-CE 3.49Å; V163-M169 VanDerWaalsContact O-CB 3.26Å; V163-M169 WeakPolarHBondContact O-CB 3.43Å; S166-M169 PolarHBondContact O-N 2.96Å; S166-M169 WeakPolarHBondContact OG-CB 3.46Å; S166-M169 PolarHBondContact OG-N 3.11Å; S166-M169 VanDerWaalsContact OG-N 3.09Å; M169-A171 VanDerWaalsContact C-N 3.31Å; M169-A171 PolarHBondContact O-N 3.28Å; M169-L172 HydrophobicContact CE-CD2 4.44Å; M169-L172 PolarHBondContact O-N 3.04Å; M169-L172 HydrophobicContact SD-CD2 4.46Å; M169-T173 WeakPolarHBondContact O-CB 3.41Å; M169-T173 PolarHBondContact O-N 3.33Å; M169-T173 PolarHBondContact O-OG1 3.47Å; M169-R430 HydrophobicContact CE-CG 4.16Å; M169-R430 HydrophobicContact SD-CG 4Å; M169-R430 PolarHBondContact SD-NE 2.86Å; M169-D431 VanDerWaalsContact CE-CA 3.4Å; M169-D431 HydrophobicContact CE-CB 3.73Å
170	A	93.4	Very high	93.2	Very high	53 Å²	53	41.4 Å²	41.4	44%	0.438	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-39.9	175.6	0	0	0	0	0	112.1	S166 A167 G168 T173 Q174	S166-A170 PolarHBondContact O-N 3.43Å; A167-A170 PolarHBondContact O-N 3.03Å; G168-A170 PolarHBondContact O-N 3.45Å; A170-T173 WeakPolarHBondContact O-CB 3.49Å; A170-T173 PolarHBondContact O-N 3.46Å; A170-Q174 PolarHBondContact O-N 2.93Å
171	A	93.9	Very high	93.7	Very high	41 Å²	41	39.2 Å²	39.2	34%	0.339	25%	0.249	S	C	.	.	H	α-helix	trans	-66	-45.8	174.4	0	0	0	0	0	112.1	A167 G168 M169 T173 Q174 D175	A167-A171 PolarHBondContact O-N 3.45Å; G168-A171 PolarHBondContact O-N 3.06Å; M169-A171 VanDerWaalsContact C-N 3.31Å; M169-A171 PolarHBondContact O-N 3.28Å; A171-T173 VanDerWaalsContact C-N 3.27Å; A171-T173 PolarHBondContact O-N 3.12Å; A171-Q174 PolarHBondContact O-N 2.66Å; A171-Q174 VanDerWaalsContact O-N 3.14Å; A171-D175 PolarHBondContact O-N 3.03Å
172	L	94.1	Very high	94	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-36.6	176.7	-179.3	61	0	0	0	112.1	R160 R162 G168 M169 Q174 D175 I176 R430	R160-L172 HydrophobicContact CG-CD1 4.45Å; R162-L172 HydrophobicContact CG-CD2 4.21Å; G168-L172 PolarHBondContact O-N 3.15Å; M169-L172 HydrophobicContact CE-CD2 4.44Å; M169-L172 PolarHBondContact O-N 3.04Å; M169-L172 HydrophobicContact SD-CD2 4.46Å; L172-Q174 VanDerWaalsContact C-N 3.33Å; L172-Q174 PolarHBondContact O-N 3.28Å; L172-D175 PolarHBondContact O-N 3.46Å; L172-I176 HydrophobicContact CD1-CD1 4.01Å; L172-I176 HydrophobicContact CD1-CG1 4.29Å; L172-I176 HydrophobicContact CG-CD1 3.98Å; L172-I176 PolarHBondContact O-N 3Å; L172-R430 HydrophobicContact CD2-CG 3.78Å; L172-R430 HydrophobicContact CG-CG 4.31Å
173	T	94.9	Very high	94	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.043	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-44.9	174.6	-60.3	0	0	0	0	110.7	M169 A170 A171 R177 N408 I410 R430	M169-T173 WeakPolarHBondContact O-CB 3.41Å; M169-T173 PolarHBondContact O-N 3.33Å; M169-T173 PolarHBondContact O-OG1 3.47Å; A170-T173 WeakPolarHBondContact O-CB 3.49Å; A170-T173 PolarHBondContact O-N 3.46Å; A171-T173 VanDerWaalsContact C-N 3.27Å; A171-T173 PolarHBondContact O-N 3.12Å; T173-R177 WeakPolarHBondContact O-CB 3.46Å; T173-R177 PolarHBondContact O-N 3.47Å; T173-N408 HydrophobicContact CG2-CB 3.83Å; T173-I410 HydrophobicContact CG2-CD1 3.81Å; T173-I410 HydrophobicContact CG2-CG1 4.16Å; T173-I410 WeakPolarHBondContact O-CD1 3.27Å; T173-R430 PolarHBondContact OG1-NH2 3.2Å
174	Q	94.8	Very high	93.8	Very high	98 Å²	98	51.9 Å²	51.9	46%	0.458	30%	0.296	S	S	.	.	H	α-helix	trans	-66.5	-40.8	176.1	-67.7	-62.4	-20.6	0	0	112.4	A170 A171 L172 R177 A178	A170-Q174 PolarHBondContact O-N 2.93Å; A171-Q174 PolarHBondContact O-N 2.66Å; A171-Q174 VanDerWaalsContact O-N 3.14Å; L172-Q174 VanDerWaalsContact C-N 3.33Å; L172-Q174 PolarHBondContact O-N 3.28Å; Q174-R177 PolarHBondContact O-N 3.26Å; Q174-R177 VanDerWaalsContact OE1-NE 3.1Å; Q174-A178 VanDerWaalsContact O-CB 3.29Å; Q174-A178 WeakPolarHBondContact O-CB 3.37Å; Q174-A178 PolarHBondContact O-N 3.26Å
175	D	94.3	Very high	93.9	Very high	70 Å²	70	52.9 Å²	52.9	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-60.3	-46.4	177.9	-74.5	-14.4	0	0	0	111.4	R160 A171 L172 A178 A179	R160-D175 IonicContact CZ-OD2 3.2Å; R160-D175 IonicContact NE-OD2 3.66Å; R160-D175 IonicContact NH2-OD2 2.68Å; R160-D175 PolarHBondContact NH2-OD2 3.03Å; A171-D175 PolarHBondContact O-N 3.03Å; L172-D175 PolarHBondContact O-N 3.46Å; D175-A178 PolarHBondContact O-N 3.33Å; D175-A179 WeakPolarHBondContact O-CB 3.44Å; D175-A179 PolarHBondContact O-N 3.17Å
176	I	95.1	Very high	94.2	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-68.2	-44.7	179	-72.9	167	0	0	0	111.3	L172 A178 A179 L180 I410 R430 T444 L448	L172-I176 HydrophobicContact CD1-CD1 4.01Å; L172-I176 HydrophobicContact CD1-CG1 4.29Å; L172-I176 HydrophobicContact CG-CD1 3.98Å; L172-I176 PolarHBondContact O-N 3Å; I176-A178 VanDerWaalsContact C-N 3.29Å; I176-A178 PolarHBondContact O-N 3.22Å; I176-A179 WeakPolarHBondContact O-CB 3.49Å; I176-A179 PolarHBondContact O-N 3.29Å; I176-A179 VanDerWaalsContact O-N 3.08Å; I176-L180 HydrophobicContact CG2-CD1 4.28Å; I176-L180 HydrophobicContact CG2-CG 4.47Å; I176-L180 WeakPolarHBondContact O-CG 3.46Å; I176-L180 PolarHBondContact O-N 3.49Å; I176-I410 HydrophobicContact CB-CD1 3.89Å; I176-I410 HydrophobicContact CG2-CD1 3.66Å; I176-R430 HydrophobicContact CD1-CG 3.91Å; I176-T444 HydrophobicContact CD1-CG2 3.73Å; I176-T444 HydrophobicContact CG1-CG2 4.5Å; I176-L448 HydrophobicContact CG1-CD1 4.48Å; I176-L448 HydrophobicContact CG2-CD2 4.28Å
177	R	95.6	Very high	94.4	Very high	102 Å²	102	55.5 Å²	55.5	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-57.3	-46	175.7	-172.5	-178.5	69.6	94.6	-0	110.8	T173 Q174 A179 L180 S181 I410	T173-R177 WeakPolarHBondContact O-CB 3.46Å; T173-R177 PolarHBondContact O-N 3.47Å; Q174-R177 PolarHBondContact O-N 3.26Å; Q174-R177 VanDerWaalsContact OE1-NE 3.1Å; R177-A179 VanDerWaalsContact C-N 3.34Å; R177-A179 PolarHBondContact O-N 2.96Å; R177-L180 PolarHBondContact O-N 3.04Å; R177-S181 WeakPolarHBondContact O-CB 3.27Å; R177-S181 PolarHBondContact O-N 3.34Å; R177-S181 PolarHBondContact O-OG 3.47Å; R177-S181 VanDerWaalsContact O-OG 3.06Å; R177-I410 HydrophobicContact CB-CD1 4.48Å; R177-I410 HydrophobicContact CB-CG2 4.28Å; R177-I410 HydrophobicContact CG-CG2 4.48Å
178	A	95.4	Very high	94.6	Very high	32 Å²	32	53.6 Å²	53.6	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-63.8	-38	175.7	0	0	0	0	0	112.3	Q174 D175 I176 R182	Q174-A178 VanDerWaalsContact O-CB 3.29Å; Q174-A178 WeakPolarHBondContact O-CB 3.37Å; Q174-A178 PolarHBondContact O-N 3.26Å; D175-A178 PolarHBondContact O-N 3.33Å; I176-A178 VanDerWaalsContact C-N 3.29Å; I176-A178 PolarHBondContact O-N 3.22Å; A178-R182 VanDerWaalsContact O-CG 3.27Å; A178-R182 WeakPolarHBondContact O-CG 3.35Å; A178-R182 PolarHBondContact O-N 2.94Å; A178-R182 VanDerWaalsContact O-N 3.11Å
179	A	94.8	Very high	94.7	Very high	23 Å²	23	54 Å²	54	19%	0.19	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-44.3	175.9	0	0	0	0	0	111.9	D175 I176 R177 R182 L448	D175-A179 WeakPolarHBondContact O-CB 3.44Å; D175-A179 PolarHBondContact O-N 3.17Å; I176-A179 WeakPolarHBondContact O-CB 3.49Å; I176-A179 PolarHBondContact O-N 3.29Å; I176-A179 VanDerWaalsContact O-N 3.08Å; R177-A179 VanDerWaalsContact C-N 3.34Å; R177-A179 PolarHBondContact O-N 2.96Å; A179-R182 PolarHBondContact O-N 2.91Å; A179-L448 HydrophobicContact CB-CD2 4.16Å
180	L	95.8	Very high	94.8	Very high	5 Å²	5	56 Å²	56	3%	0.026	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-45.6	175.7	-66.5	176.5	0	0	0	111.8	I176 R177 R182 Q183 L185 V188 I410 L448 V451	I176-L180 HydrophobicContact CG2-CD1 4.28Å; I176-L180 HydrophobicContact CG2-CG 4.47Å; I176-L180 WeakPolarHBondContact O-CG 3.46Å; I176-L180 PolarHBondContact O-N 3.49Å; R177-L180 PolarHBondContact O-N 3.04Å; L180-R182 PolarHBondContact O-N 3.18Å; L180-Q183 WeakPolarHBondContact O-CA 3.32Å; L180-Q183 VanDerWaalsContact O-CB 3.31Å; L180-Q183 WeakPolarHBondContact O-CB 3.15Å; L180-Q183 PolarHBondContact O-N 3.39Å; L180-L185 HydrophobicContact CB-CD1 4.36Å; L180-L185 HydrophobicContact CD2-CD1 4.35Å; L180-V188 HydrophobicContact CB-CG1 3.96Å; L180-V188 HydrophobicContact CB-CG2 4.21Å; L180-I410 HydrophobicContact CD1-CG2 3.62Å; L180-L448 HydrophobicContact CD2-CD2 4.31Å; L180-V451 HydrophobicContact CD2-CB 4.09Å; L180-V451 HydrophobicContact CD2-CG1 3.68Å; L180-V451 HydrophobicContact CD2-CG2 3.73Å
181	S	95	Very high	94.7	Very high	69 Å²	69	54 Å²	54	48%	0.483	27%	0.272	S	S	.	.	H	α-helix	trans	-65.1	-21.8	179.1	-60.3	0	0	0	0	114	R177 Q183	R177-S181 WeakPolarHBondContact O-CB 3.27Å; R177-S181 PolarHBondContact O-N 3.34Å; R177-S181 PolarHBondContact O-OG 3.47Å; R177-S181 VanDerWaalsContact O-OG 3.06Å; S181-Q183 VanDerWaalsContact C-N 3.32Å
182	R	95.3	Very high	94.6	Very high	185 Å²	185	54.9 Å²	54.9	70%	0.698	27%	0.274	S	S	*	.	H	α-helix	trans	-75.5	-24	171.6	-73.9	175.4	-151.7	139.5	4.6	112.4	A178 A179 L180	A178-R182 VanDerWaalsContact O-CG 3.27Å; A178-R182 WeakPolarHBondContact O-CG 3.35Å; A178-R182 PolarHBondContact O-N 2.94Å; A178-R182 VanDerWaalsContact O-N 3.11Å; A179-R182 PolarHBondContact O-N 2.91Å; L180-R182 PolarHBondContact O-N 3.18Å
183	Q	93.6	Very high	94.4	Very high	55 Å²	55	55 Å²	55	26%	0.257	27%	0.274	S	S	.	.	S	Bend	trans	-75	143.1	170.6	-52.3	-52.8	-40	0	0	108	L180 S181 L185 V451	L180-Q183 WeakPolarHBondContact O-CA 3.32Å; L180-Q183 VanDerWaalsContact O-CB 3.31Å; L180-Q183 WeakPolarHBondContact O-CB 3.15Å; L180-Q183 PolarHBondContact O-N 3.39Å; S181-Q183 VanDerWaalsContact C-N 3.32Å; Q183-L185 HydrophobicContact CB-CD1 4.34Å; Q183-L185 HydrophobicContact CB-CD2 4.17Å; Q183-L185 HydrophobicContact CB-CG 3.86Å; Q183-L185 PolarHBondContact O-N 3.37Å; Q183-V451 HydrophobicContact CB-CG1 4.17Å; Q183-V451 HydrophobicContact CG-CG1 3.92Å
184	K	90.1	Very high	94.2	Very high	177 Å²	177	58.8 Å²	58.8	77%	0.77	29%	0.288	S	S	*	.			trans	-79.1	53.3	-178.7	-64.8	-178.7	178.8	179.5	0	110.7	S455	K184-S455 PolarHBondContact N-OG 3.28Å
185	L	95.1	Very high	94	Very high	23 Å²	23	54.1 Å²	54.1	12%	0.12	27%	0.267	C	S	.	.			trans	-74.6	155.2	175.9	-53.6	178.4	0	0	0	109.9	L180 Q183 V188 I414 V451	L180-L185 HydrophobicContact CB-CD1 4.36Å; L180-L185 HydrophobicContact CD2-CD1 4.35Å; Q183-L185 HydrophobicContact CB-CD1 4.34Å; Q183-L185 HydrophobicContact CB-CD2 4.17Å; Q183-L185 HydrophobicContact CB-CG 3.86Å; Q183-L185 PolarHBondContact O-N 3.37Å; L185-V188 HydrophobicContact CB-CG2 4.13Å; L185-V188 HydrophobicContact CD1-CG2 3.87Å; L185-I414 HydrophobicContact CD2-CD1 3.96Å; L185-I414 HydrophobicContact CD2-CG1 3.65Å; L185-V451 HydrophobicContact CD1-CG1 3.69Å; L185-V451 HydrophobicContact CD2-CG1 3.84Å; L185-V451 HydrophobicContact CG-CG1 4.23Å
186	D	95.8	Very high	93.7	Very high	70 Å²	70	50.9 Å²	50.9	37%	0.374	25%	0.25	S	S	.	.	S	Bend	trans	-71.6	-38.4	179.3	-59	-64.1	0	0	0	110.9	C413 I414 E415	D186-C413 PolarHBondContact N-O 2.9Å; D186-I414 WeakPolarHBondContact OD2-CA 3.38Å; D186-E415 HydrophobicContact CB-CB 4.34Å; D186-E415 PolarHBondContact OD2-N 2.9Å
187	H	96.3	Very high	93.6	Very high	44 Å²	44	50.7 Å²	50.7	20%	0.204	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	142.8	177.1	-52.3	-73.9	0	0	0	112.4	W189 G412 C413	H187-W189 HydrophobicContact CB-CE3 3.93Å; H187-W189 HydrophobicContact CB-CZ3 3.78Å; H187-G412 CarbonylContact O-C 3.52Å; H187-G412 WeakPolarHBondContact O-CA 3.3Å; H187-C413 HydrophobicContact CB-CB 4.13Å; H187-C413 PolarHBondContact N-O 3.22Å; H187-C413 PolarHBondContact O-N 3.45Å
188	V	97.1	Very high	93.5	Very high	44 Å²	44	46.1 Å²	46.1	27%	0.267	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	123.4	169.5	-179.5	0	0	0	0	108.6	L180 L185 F411	L180-V188 HydrophobicContact CB-CG1 3.96Å; L180-V188 HydrophobicContact CB-CG2 4.21Å; L185-V188 HydrophobicContact CB-CG2 4.13Å; L185-V188 HydrophobicContact CD1-CG2 3.87Å; V188-F411 VanDerWaalsContact CA-O 3.31Å; V188-F411 WeakPolarHBondContact CA-O 3.32Å
189	W	95.6	Very high	93.4	Very high	23 Å²	23	46.4 Å²	46.4	9%	0.087	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	174.7	-179.9	72.1	100.7	0	0	0	111.8	P50 H187 F411 C413 L469	P50-W189 HydrophobicContact CG-CH2 3.85Å; P50-W189 HydrophobicContact CG-CZ3 4.04Å; P50-W189 WeakPolarHBondContact O-CH2 3.2Å; P50-W189 WeakPolarHBondContact O-CZ2 3.33Å; H187-W189 HydrophobicContact CB-CE3 3.93Å; H187-W189 HydrophobicContact CB-CZ3 3.78Å; W189-F411 HydrophobicContact CD2-CB 3.54Å; W189-F411 HydrophobicContact CD2-CG 4.19Å; W189-F411 AromaticContact CE2-CD2 3.93Å; W189-F411 AromaticContact CE2-CG 3.51Å; W189-F411 HydrophobicContact CE3-CB 3.77Å; W189-F411 HydrophobicContact CG-CB 4.22Å; W189-F411 HydrophobicContact CH2-CB 3.67Å; W189-F411 HydrophobicContact CH2-CD1 4.31Å; W189-F411 HydrophobicContact CH2-CG 4.25Å; W189-F411 HydrophobicContact CZ2-CB 3.41Å; W189-F411 VanDerWaalsContact CZ2-CB 3.41Å; W189-F411 AromaticContact CZ2-CD1 3.64Å; W189-F411 HydrophobicContact CZ2-CD1 3.64Å; W189-F411 HydrophobicContact CZ2-CD2 4.36Å; W189-F411 AromaticContact CZ2-CG 3.56Å; W189-F411 HydrophobicContact CZ2-CG 3.56Å; W189-F411 HydrophobicContact CZ3-CB 3.82Å; W189-F411 PolarHBondContact N-O 2.72Å; W189-F411 VanDerWaalsContact N-O 3.14Å; W189-F411 AromaticContact NE1-CD2 3.55Å; W189-F411 AromaticContact NE1-CG 3.64Å; W189-F411 PolarHBondContact O-N 3.03Å; W189-C413 HydrophobicContact CH2-CB 4.2Å; W189-C413 HydrophobicContact CZ3-CB 3.84Å; W189-L469 HydrophobicContact CH2-CD1 3.51Å; W189-L469 HydrophobicContact CZ2-CD1 4.16Å; W189-L469 HydrophobicContact CZ3-CD1 4.38Å
190	T	94.8	Very high	93.3	Very high	47 Å²	47	46.9 Å²	46.9	29%	0.288	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.5	179	-58.6	0	0	0	0	108.7	N408 N409	T190-N408 HydrophobicContact CG2-CB 3.98Å; T190-N409 CarbonylContact C-O 3.54Å; T190-N409 VanDerWaalsContact CA-O 3.29Å; T190-N409 WeakPolarHBondContact CA-O 3.32Å; T190-N409 WeakPolarHBondContact CG2-O 3.46Å
191	D	92.1	Very high	93.1	Very high	9 Å²	9	48.7 Å²	48.7	5%	0.048	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120	175.9	-176	25.1	0	0	0	108.2	H193 N409 F411	D191-H193 IonicContact OD1-CE1 3.88Å; D191-H193 IonicContact OD1-NE2 3.25Å; D191-H193 PolarHBondContact OD1-NE2 2.91Å; D191-H193 IonicContact OD2-CD2 3.32Å; D191-H193 IonicContact OD2-CE1 2.96Å; D191-H193 IonicContact OD2-NE2 2.8Å; D191-H193 PolarHBondContact OD2-NE2 3.32Å; D191-N409 HydrophobicContact CB-CB 4.3Å; D191-N409 PolarHBondContact N-O 3.4Å; D191-N409 PolarHBondContact O-N 2.65Å; D191-F411 HydrophobicContact CB-CD2 4.35Å; D191-F411 HydrophobicContact CB-CE2 3.59Å; D191-F411 HydrophobicContact CB-CZ 4.39Å
192	T	91.8	Very high	92.8	Very high	60 Å²	60	51 Å²	51	37%	0.368	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.6	-173.1	-57.1	0	0	0	0	110.1	Y194 P406 I407 N408	T192-Y194 HydrophobicContact CG2-CE2 4.02Å; T192-P406 HydrophobicContact CG2-CB 4.35Å; T192-I407 WeakPolarHBondContact CA-O 3.49Å; T192-N408 WeakPolarHBondContact CG2-OD1 3.5Å; T192-N408 PolarHBondContact OG1-OD1 3.21Å
193	H	89.8	Confident	92.6	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.032	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	147.8	175.2	-62.1	-76.9	0	0	0	110.4	D191 V195 P406 I407 E485	D191-H193 IonicContact OD1-CE1 3.88Å; D191-H193 IonicContact OD1-NE2 3.25Å; D191-H193 PolarHBondContact OD1-NE2 2.91Å; D191-H193 IonicContact OD2-CD2 3.32Å; D191-H193 IonicContact OD2-CE1 2.96Å; D191-H193 IonicContact OD2-NE2 2.8Å; D191-H193 PolarHBondContact OD2-NE2 3.32Å; H193-V195 HydrophobicContact CB-CG1 4.14Å; H193-P406 CarbonylContact O-C 3.6Å; H193-P406 WeakPolarHBondContact O-CA 3.46Å; H193-I407 HydrophobicContact CB-CD1 4.1Å; H193-I407 HydrophobicContact CB-CG1 3.76Å; H193-I407 PolarHBondContact N-O 3.08Å; H193-I407 WeakPolarHBondContact O-CG1 3.43Å; H193-I407 PolarHBondContact O-N 2.94Å; H193-E485 HydrophobicContact CB-CG 4.36Å
194	Y	89.6	Confident	92.5	Very high	86 Å²	86	48.5 Å²	48.5	34%	0.337	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	104.1	176.5	-73.4	-99.5	0	0	0	109.1	T192 S334 N336 P406	T192-Y194 HydrophobicContact CG2-CE2 4.02Å; Y194-S334 WeakPolarHBondContact O-CB 3.42Å; Y194-N336 HydrophobicContact CD2-CB 3.46Å; Y194-N336 VanDerWaalsContact CD2-CB 3.46Å; Y194-N336 HydrophobicContact CE2-CB 3.76Å; Y194-N336 VanDerWaalsContact CE2-ND2 3.3Å; Y194-N336 WeakPolarHBondContact CE2-ND2 3.23Å; Y194-N336 HydrophobicContact CG-CB 4Å; Y194-P406 HydrophobicContact CD1-CB 4.16Å; Y194-P406 HydrophobicContact CE1-CB 3.91Å
195	V	90.6	Very high	92.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150	-166	-66.8	0	0	0	0	112.1	H193 L197 D326 T405 I407 V481 E485	H193-V195 HydrophobicContact CB-CG1 4.14Å; V195-L197 HydrophobicContact CB-CD2 4.38Å; V195-L197 HydrophobicContact CG2-CD1 4.36Å; V195-L197 HydrophobicContact CG2-CD2 3.71Å; V195-L197 HydrophobicContact CG2-CG 3.82Å; V195-L197 PolarHBondContact O-N 3.25Å; V195-D326 VanDerWaalsContact CA-OD2 3.29Å; V195-D326 WeakPolarHBondContact CA-OD2 3.17Å; V195-D326 HydrophobicContact CB-CB 4.21Å; V195-D326 WeakPolarHBondContact CB-OD2 3.26Å; V195-D326 HydrophobicContact CG1-CB 4Å; V195-T405 WeakPolarHBondContact CG2-O 3.49Å; V195-T405 PolarHBondContact N-O 2.92Å; V195-T405 PolarHBondContact O-N 3.2Å; V195-I407 HydrophobicContact CG1-CD1 3.88Å; V195-I407 HydrophobicContact CG1-CG1 4.27Å; V195-I407 HydrophobicContact CG2-CB 4.38Å; V195-I407 HydrophobicContact CG2-CD1 3.87Å; V195-I407 HydrophobicContact CG2-CG1 3.94Å; V195-I407 HydrophobicContact CG2-CG2 3.63Å; V195-V481 HydrophobicContact CB-CG1 4.04Å; V195-V481 HydrophobicContact CG1-CG1 3.68Å; V195-V481 HydrophobicContact CG2-CG1 4.11Å; V195-E485 HydrophobicContact CG1-CG 4.15Å
196	G	89.4	Confident	92.6	Very high	2 Å²	2	43 Å²	43	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	63.9	-177.9	0	0	0	0	0	114.8	D326 Y328	G196-D326 PolarHBondContact N-OD2 2.89Å; G196-Y328 WeakPolarHBondContact O-CE2 3.36Å
197	L	92.5	Very high	92.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	154.3	179.2	-54.1	-171.8	0	0	0	111.8	A164 V195 F199 Y232 R402 T403 T405 I407 F478 V481	A164-L197 HydrophobicContact CB-CD1 4.04Å; V195-L197 HydrophobicContact CB-CD2 4.38Å; V195-L197 HydrophobicContact CG2-CD1 4.36Å; V195-L197 HydrophobicContact CG2-CD2 3.71Å; V195-L197 HydrophobicContact CG2-CG 3.82Å; V195-L197 PolarHBondContact O-N 3.25Å; L197-F199 HydrophobicContact CB-CE2 3.7Å; L197-F199 HydrophobicContact CB-CZ 3.9Å; L197-F199 HydrophobicContact CD1-CZ 4.19Å; L197-Y232 WeakPolarHBondContact CD2-OH 3.34Å; L197-R402 CarbonylContact O-C 3.56Å; L197-R402 WeakPolarHBondContact O-CA 3.32Å; L197-T403 PolarHBondContact N-O 3.4Å; L197-T403 VanDerWaalsContact N-O 3.08Å; L197-T403 PolarHBondContact O-N 2.95Å; L197-T405 HydrophobicContact CD1-CG2 3.93Å; L197-I407 HydrophobicContact CD1-CG2 4.37Å; L197-F478 HydrophobicContact CB-CD1 4.18Å; L197-F478 HydrophobicContact CB-CE1 4.03Å; L197-F478 HydrophobicContact CB-CZ 4.39Å; L197-F478 HydrophobicContact CD1-CD2 3.97Å; L197-F478 HydrophobicContact CD1-CE1 4.5Å; L197-F478 HydrophobicContact CD1-CE2 3.95Å; L197-F478 HydrophobicContact CD1-CG 4.27Å; L197-F478 HydrophobicContact CD1-CZ 4.21Å; L197-F478 HydrophobicContact CD2-CB 3.87Å; L197-F478 HydrophobicContact CD2-CD1 3.93Å; L197-F478 HydrophobicContact CD2-CD2 4.25Å; L197-F478 HydrophobicContact CD2-CG 3.75Å; L197-F478 HydrophobicContact CG-CD1 4.42Å; L197-F478 HydrophobicContact CG-CG 4.43Å; L197-V481 HydrophobicContact CD2-CG2 4.35Å
198	Q	93.4	Very high	92.5	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.028	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.1	179.7	-154.5	-167.6	29.3	0	0	110.7	Y229 Y232 S233 N400 H401 F478	Q198-Y229 WeakPolarHBondContact O-CE2 3.22Å; Q198-Y229 PolarHBondContact O-OH 2.82Å; Q198-Y229 VanDerWaalsContact O-OH 3.06Å; Q198-Y232 HydrophobicContact CB-CD1 4.47Å; Q198-S233 PolarHBondContact NE2-O 2.7Å; Q198-N400 HydrophobicContact CG-CB 3.67Å; Q198-N400 VanDerWaalsContact NE2-CB 3.33Å; Q198-N400 PolarHBondContact NE2-O 2.9Å; Q198-H401 CarbonylContact C-O 3.56Å; Q198-H401 VanDerWaalsContact CA-O 3.31Å; Q198-H401 WeakPolarHBondContact CA-O 3.46Å; Q198-H401 WeakPolarHBondContact CG-O 3.48Å; Q198-F478 WeakPolarHBondContact O-CE1 3.31Å
199	F	93.9	Very high	92.4	Very high	39 Å²	39	37.7 Å²	37.7	17%	0.171	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.8	179.1	-58.8	-83.3	0	0	0	110.6	V163 L197 N400 H401 F478	V163-F199 HydrophobicContact CG1-CE1 4.47Å; L197-F199 HydrophobicContact CB-CE2 3.7Å; L197-F199 HydrophobicContact CB-CZ 3.9Å; L197-F199 HydrophobicContact CD1-CZ 4.19Å; F199-N400 CarbonylContact O-C 3.58Å; F199-N400 VanDerWaalsContact O-CA 3.28Å; F199-N400 WeakPolarHBondContact O-CA 3.28Å; F199-H401 PolarHBondContact N-O 2.95Å; F199-H401 PolarHBondContact O-N 3.24Å; F199-H401 PolarHBondContact O-ND1 2.84Å; F199-F478 HydrophobicContact CD1-CZ 4.44Å; F199-F478 HydrophobicContact CE1-CE1 4.5Å; F199-F478 AromaticContact CE1-CZ 3.75Å; F199-F478 HydrophobicContact CE1-CZ 3.75Å; F199-F478 HydrophobicContact CZ-CZ 4.09Å
200	P	92.4	Very high	92.4	Very high	32 Å²	32	37.7 Å²	37.7	21%	0.208	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	142.3	174.3	23.2	-30.3	0	0	0	110.9	P202 Y229 H401	P200-P202 WeakPolarHBondContact O-CD 3.43Å; P200-Y229 VanDerWaalsContact CD-CE1 3.44Å; P200-Y229 HydrophobicContact CG-CD1 3.83Å; P200-Y229 HydrophobicContact CG-CE1 4.12Å; P200-Y229 HydrophobicContact CG-CG 4.25Å; P200-H401 PolarHBondContact O-CE1 2.9Å; P200-H401 VanDerWaalsContact O-CE1 3.31Å; P200-H401 PolarHBondContact O-ND1 3.33Å
201	D	91	Very high	92.3	Very high	43 Å²	43	36 Å²	36	23%	0.23	20%	0.204	C	C	.	.			trans	-79.7	115.7	173.6	-176.8	-7.2	0	0	0	110.6	A203 H204 N399	D201-A203 PolarHBondContact O-N 3.36Å; D201-A203 WeakPolarHBondContact OD1-CB 3.47Å; D201-A203 PolarHBondContact OD1-N 3.2Å; D201-H204 HydrophobicContact CB-CB 4.45Å; D201-H204 CarbonylContact O-C 3.18Å; D201-H204 PolarHBondContact O-N 3.31Å; D201-H204 IonicContact OD2-CE1 3.03Å; D201-H204 IonicContact OD2-CG 2.84Å; D201-H204 IonicContact OD2-ND1 3.17Å; D201-H204 PolarHBondContact OD2-ND1 2.96Å; D201-N399 WeakPolarHBondContact CB-O 3.44Å; D201-N399 PolarHBondContact N-O 2.78Å; D201-N399 VanDerWaalsContact N-O 3.11Å
202	P	88.6	Confident	92	Very high	117 Å²	117	38 Å²	38	76%	0.76	22%	0.215	S	C	*	.	S	Bend	trans	-64.7	-26.4	178.4	-20.5	33.7	0	0	0	113.8	P200	P200-P202 WeakPolarHBondContact O-CD 3.43Å
203	A	91.3	Very high	91.3	Very high	75 Å²	75	45.4 Å²	45.4	62%	0.62	25%	0.245	S	C	*	.	S	Bend	trans	-80.1	-28.5	179.1	0	0	0	0	0	112.2	D201	D201-A203 PolarHBondContact O-N 3.36Å; D201-A203 WeakPolarHBondContact OD1-CB 3.47Å; D201-A203 PolarHBondContact OD1-N 3.2Å
204	H	91.5	Very high	90.6	Very high	113 Å²	113	49.4 Å²	49.4	52%	0.523	28%	0.28	S	S	.	.	S	Bend	trans	-132.5	78.6	-179.3	-50.8	99.5	0	0	0	109.2	D201 N399	D201-H204 HydrophobicContact CB-CB 4.45Å; D201-H204 CarbonylContact O-C 3.18Å; D201-H204 PolarHBondContact O-N 3.31Å; D201-H204 IonicContact OD2-CE1 3.03Å; D201-H204 IonicContact OD2-CG 2.84Å; D201-H204 IonicContact OD2-ND1 3.17Å; D201-H204 PolarHBondContact OD2-ND1 2.96Å; H204-N399 HydrophobicContact CB-CB 4.21Å; H204-N399 WeakPolarHBondContact O-CB 3.35Å; H204-N399 PolarHBondContact O-ND2 3.11Å
205	P	92.4	Very high	89.9	Confident	67 Å²	67	47.7 Å²	47.7	44%	0.435	29%	0.288	S	S	.	.			trans	-64.9	161.7	-176.4	26.9	-35.1	0	0	0	112.1	N399	P205-N399 PolarHBondContact O-ND2 3.16Å; P205-N399 VanDerWaalsContact O-ND2 3.12Å
206	N	95	Very high	89.6	Confident	17 Å²	17	54.7 Å²	54.7	9%	0.091	32%	0.319	C	S	.	.			trans	-65.9	137.8	170.7	-61.4	-15.1	0	0	0	109.1	L223 Q354 A397 N399 N400	N206-L223 HydrophobicContact CB-CD1 4.45Å; N206-Q354 PolarHBondContact ND2-OE1 3.34Å; N206-A397 CarbonylContact C-O 3.57Å; N206-A397 VanDerWaalsContact CA-O 3.29Å; N206-A397 WeakPolarHBondContact CA-O 3.46Å; N206-N399 PolarHBondContact OD1-N 2.79Å; N206-N400 PolarHBondContact ND2-OD1 3.34Å; N206-N400 PolarHBondContact OD1-OD1 3.38Å
207	T	94.9	Very high	89.4	Confident	25 Å²	25	57.3 Å²	57.3	15%	0.153	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150.2	-178	61.7	0	0	0	0	112.3	H209 A397	T207-H209 PolarHBondContact OG1-NE2 3.12Å; T207-A397 PolarHBondContact N-O 3.37Å; T207-A397 PolarHBondContact O-N 2.92Å; T207-A397 WeakPolarHBondContact OG1-CB 3.34Å
208	L	95.5	Very high	89.2	Confident	0 Å²	0	63 Å²	63	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.8	175	-174.7	67.1	0	0	0	108.6	L221 L223 L293 I360 L394 R395 L396	L208-L221 HydrophobicContact CB-CB 4.34Å; L208-L221 HydrophobicContact CD2-CB 4.22Å; L208-L221 HydrophobicContact CD2-CD1 3.67Å; L208-L221 HydrophobicContact CG-CB 4.31Å; L208-L221 HydrophobicContact CG-CD1 3.96Å; L208-L221 PolarHBondContact O-N 3.17Å; L208-L223 HydrophobicContact CB-CD2 4.24Å; L208-L293 HydrophobicContact CD1-CD1 4.23Å; L208-L293 HydrophobicContact CD1-CD2 4.41Å; L208-L293 HydrophobicContact CD2-CD1 4.09Å; L208-I360 HydrophobicContact CD2-CG2 4.35Å; L208-L394 HydrophobicContact CD1-CB 4.4Å; L208-L394 HydrophobicContact CD1-CD2 4.24Å; L208-L394 HydrophobicContact CG-CD2 4.33Å; L208-R395 WeakPolarHBondContact CA-O 3.29Å; L208-L396 HydrophobicContact CD1-CB 4.18Å; L208-L396 HydrophobicContact CD1-CD1 4.36Å
209	H	95.2	Very high	89	Confident	22 Å²	22	68 Å²	68	10%	0.102	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.3	-178.8	-63.6	-98.7	0	0	0	111.5	T207 V217 L394 R395	T207-H209 PolarHBondContact OG1-NE2 3.12Å; H209-V217 HydrophobicContact CB-CG1 3.61Å; H209-L394 CarbonylContact O-C 3.57Å; H209-L394 WeakPolarHBondContact O-CA 3.36Å; H209-L394 WeakPolarHBondContact O-CD2 3.34Å; H209-R395 HydrophobicContact CB-CB 4.46Å; H209-R395 PolarHBondContact CD2-NH2 3.4Å; H209-R395 PolarHBondContact N-O 3.48Å; H209-R395 PolarHBondContact NE2-NH2 3.44Å; H209-R395 PolarHBondContact O-N 3.32Å
210	W	94.4	Very high	88.9	Confident	23 Å²	23	71 Å²	71	9%	0.087	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	152.3	161.7	-65.8	112.4	0	0	0	111	E218 E219 L221 L364 K367 P392 L394	W210-E218 HydrophobicContact CB-CB 4.13Å; W210-E218 PolarHBondContact O-N 2.88Å; W210-E219 PolarHBondContact N-O 3.5Å; W210-L221 HydrophobicContact CD2-CD1 4.34Å; W210-L221 HydrophobicContact CH2-CD1 4.46Å; W210-L221 HydrophobicContact CZ2-CD1 3.96Å; W210-L221 HydrophobicContact CZ2-CD2 4.13Å; W210-L221 HydrophobicContact CZ2-CG 4.49Å; W210-L221 VanDerWaalsContact NE1-CD2 3.34Å; W210-L364 HydrophobicContact CH2-CD2 3.38Å; W210-L364 HydrophobicContact CZ2-CD2 3.91Å; W210-L364 HydrophobicContact CZ3-CD2 3.95Å; W210-K367 HydrophobicContact CH2-CB 4.28Å; W210-K367 HydrophobicContact CH2-CG 4.05Å; W210-K367 HydrophobicContact CZ2-CG 4.32Å; W210-P392 HydrophobicContact CE3-CB 4.16Å; W210-P392 HydrophobicContact CE3-CG 3.79Å; W210-P392 HydrophobicContact CH2-CG 3.94Å; W210-P392 HydrophobicContact CZ3-CB 4.1Å; W210-P392 HydrophobicContact CZ3-CG 3.25Å; W210-L394 HydrophobicContact CD2-CD2 3.96Å; W210-L394 HydrophobicContact CE3-CD2 3.34Å; W210-L394 HydrophobicContact CE3-CG 3.99Å; W210-L394 HydrophobicContact CH2-CD2 4.26Å; W210-L394 HydrophobicContact CZ3-CD1 4.34Å; W210-L394 HydrophobicContact CZ3-CD2 3.44Å; W210-L394 VanDerWaalsContact CZ3-CD2 3.44Å; W210-L394 HydrophobicContact CZ3-CG 3.83Å
211	V	93	Very high	88.8	Confident	11 Å²	11	69.5 Å²	69.5	7%	0.067	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.7	178.7	-171.9	0	0	0	0	109.2	G215 K216 T239 G393 R395	V211-G215 WeakPolarHBondContact CG1-O 3.26Å; V211-K216 WeakPolarHBondContact CA-O 3.37Å; V211-T239 HydrophobicContact CB-CG2 4.41Å; V211-T239 HydrophobicContact CG1-CG2 4.14Å; V211-T239 HydrophobicContact CG2-CG2 4.03Å; V211-G393 PolarHBondContact N-O 2.78Å; V211-R395 HydrophobicContact CG2-CB 3.55Å
212	D	85	Confident	88.7	Confident	53 Å²	53	70.4 Å²	70.4	28%	0.283	40%	0.397	S	S	.	.			trans	-75	174.2	175.1	74.3	8.8	0	0	0	112.5	A214 G215 K216 E218	D212-A214 PolarHBondContact O-N 3.06Å; D212-A214 VanDerWaalsContact O-N 3.13Å; D212-A214 VanDerWaalsContact OD1-C 3.27Å; D212-A214 VanDerWaalsContact OD1-CA 3.29Å; D212-A214 WeakPolarHBondContact OD1-CA 3.19Å; D212-A214 WeakPolarHBondContact OD1-CB 3.37Å; D212-A214 PolarHBondContact OD1-N 3.02Å; D212-G215 PolarHBondContact O-N 3.23Å; D212-G215 PolarHBondContact OD1-N 3.18Å; D212-K216 PolarHBondContact N-O 3.14Å; D212-K216 WeakPolarHBondContact OD1-CB 3.29Å; D212-K216 PolarHBondContact OD1-N 3.36Å; D212-K216 WeakPolarHBondContact OD2-CB 3.42Å; D212-E218 HydrophobicContact CB-CG 4.2Å
213	E	77.3	Confident	88.7	Confident	214 Å²	214	66.1 Å²	66.1	100%	1	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.5	178.2	-64	-176.1	172.9	0	0	113.3
214	A	75.3	Confident	88.2	Confident	92 Å²	92	66.2 Å²	66.2	76%	0.76	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	1.1	177.1	0	0	0	0	0	113.1	D212	D212-A214 PolarHBondContact O-N 3.06Å; D212-A214 VanDerWaalsContact O-N 3.13Å; D212-A214 VanDerWaalsContact OD1-C 3.27Å; D212-A214 VanDerWaalsContact OD1-CA 3.29Å; D212-A214 WeakPolarHBondContact OD1-CA 3.19Å; D212-A214 WeakPolarHBondContact OD1-CB 3.37Å; D212-A214 PolarHBondContact OD1-N 3.02Å
215	G	75.4	Confident	87.7	Confident	49 Å²	49	61.8 Å²	61.8	51%	0.505	34%	0.335	S	S	.	.	S	Bend	trans	82.8	9.2	-179	0	0	0	0	0	114.2	V211 D212	V211-G215 WeakPolarHBondContact CG1-O 3.26Å; D212-G215 PolarHBondContact O-N 3.23Å; D212-G215 PolarHBondContact OD1-N 3.18Å
216	K	84	Confident	86.9	Confident	149 Å²	149	62.6 Å²	62.6	65%	0.648	34%	0.341	S	S	*	.			trans	-84.3	136.2	179.7	-167.5	-176.4	175	-173.7	0	110.6	V211 D212 E218	V211-K216 WeakPolarHBondContact CA-O 3.37Å; D212-K216 PolarHBondContact N-O 3.14Å; D212-K216 WeakPolarHBondContact OD1-CB 3.29Å; D212-K216 PolarHBondContact OD1-N 3.36Å; D212-K216 WeakPolarHBondContact OD2-CB 3.42Å; K216-E218 PolarHBondContact O-N 3.13Å
217	V	86.4	Confident	86.4	Confident	57 Å²	57	66 Å²	66	35%	0.345	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	126.6	179	-170.4	0	0	0	0	110.3	H209	H209-V217 HydrophobicContact CB-CG1 3.61Å
218	E	87.6	Confident	86.3	Confident	119 Å²	119	64.9 Å²	64.9	56%	0.556	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	-135.9	175.1	-60.4	-168.4	147.2	0	0	111	W210 D212 K216	W210-E218 HydrophobicContact CB-CB 4.13Å; W210-E218 PolarHBondContact O-N 2.88Å; D212-E218 HydrophobicContact CB-CG 4.2Å; K216-E218 PolarHBondContact O-N 3.13Å
219	E	89.2	Confident	86.3	Confident	111 Å²	111	65.1 Å²	65.1	52%	0.519	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	135.2	-179.3	-177.9	-166.3	154.3	0	0	111.4	W210 R363	W210-E219 PolarHBondContact N-O 3.5Å; E219-R363 IonicContact OE1-NH2 3.35Å; E219-R363 PolarHBondContact OE1-NH2 3.07Å
220	Q	91	Very high	86.4	Confident	102 Å²	102	64 Å²	64	48%	0.477	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130	169.5	-173.7	175.5	-12.3	0	0	110.3	P222	Q220-P222 WeakPolarHBondContact O-CD 3.28Å
221	L	91	Very high	86.5	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	116.8	167.3	-71.9	170.4	0	0	0	108.2	L208 W210 L223 R363 L364 L394	L208-L221 HydrophobicContact CB-CB 4.34Å; L208-L221 HydrophobicContact CD2-CB 4.22Å; L208-L221 HydrophobicContact CD2-CD1 3.67Å; L208-L221 HydrophobicContact CG-CB 4.31Å; L208-L221 HydrophobicContact CG-CD1 3.96Å; L208-L221 PolarHBondContact O-N 3.17Å; W210-L221 HydrophobicContact CD2-CD1 4.34Å; W210-L221 HydrophobicContact CH2-CD1 4.46Å; W210-L221 HydrophobicContact CZ2-CD1 3.96Å; W210-L221 HydrophobicContact CZ2-CD2 4.13Å; W210-L221 HydrophobicContact CZ2-CG 4.49Å; W210-L221 VanDerWaalsContact NE1-CD2 3.34Å; L221-L223 PolarHBondContact O-N 2.86Å; L221-R363 VanDerWaalsContact CD2-CZ 3.45Å; L221-L364 HydrophobicContact CD1-CD2 3.67Å; L221-L394 HydrophobicContact CD1-CD2 3.85Å
222	P	88.5	Confident	86.7	Confident	62 Å²	62	62.7 Å²	62.7	40%	0.403	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-68.6	118.7	-179.4	28.1	-32.4	0	0	0	109.3	Q220 E224 I360	Q220-P222 WeakPolarHBondContact O-CD 3.28Å; P222-E224 PolarHBondContact O-N 2.85Å; P222-I360 WeakPolarHBondContact O-CD1 3.39Å
223	L	88	Confident	87.2	Confident	27 Å²	27	60.3 Å²	60.3	14%	0.141	33%	0.329	C	S	.	.			trans	-76.6	103.1	169	-59.6	-179.1	0	0	0	107.2	N206 L208 L221 D225 Q354 I356	N206-L223 HydrophobicContact CB-CD1 4.45Å; L208-L223 HydrophobicContact CB-CD2 4.24Å; L221-L223 PolarHBondContact O-N 2.86Å; L223-D225 PolarHBondContact O-N 2.9Å; L223-Q354 HydrophobicContact CD1-CG 4.28Å; L223-I356 HydrophobicContact CD2-CG2 4.02Å
224	E	81.4	Confident	88.2	Confident	77 Å²	77	51 Å²	51	36%	0.36	29%	0.289	S	S	.	.	S	Bend	trans	-63.6	-26.8	-171.4	-66.6	164.7	154.8	0	0	113.2	P222 P226 Q313 S357	P222-E224 PolarHBondContact O-N 2.85Å; E224-P226 WeakPolarHBondContact O-CD 3.47Å; E224-Q313 HydrophobicContact CB-CB 4.37Å; E224-Q313 WeakPolarHBondContact OE2-CA 3.46Å; E224-S357 PolarHBondContact OE2-OG 3.11Å
225	D	80.5	Confident	89.1	Confident	20 Å²	20	51.7 Å²	51.7	11%	0.107	28%	0.279	C	S	.	.	S	Bend	trans	-115.4	81.5	171.1	-159.1	-14.6	0	0	0	109.9	L223 D227 V228 K597	L223-D225 PolarHBondContact O-N 2.9Å; D225-D227 PolarHBondContact O-N 3.21Å; D225-V228 HydrophobicContact CB-CG2 3.75Å; D225-V228 PolarHBondContact O-N 3.4Å; D225-V228 WeakPolarHBondContact OD2-CG2 3.42Å; D225-K597 IonicContact OD1-NZ 3.92Å; D225-K597 PolarHBondContact OD1-NZ 2.8Å
226	P	76	Confident	90	Very high	85 Å²	85	50.5 Å²	50.5	55%	0.552	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.7	-173	28.7	-36.3	0	0	0	113.3	E224	E224-P226 WeakPolarHBondContact O-CD 3.47Å
227	D	84.8	Confident	90.6	Very high	89 Å²	89	48.2 Å²	48.2	48%	0.476	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.7	179.6	-57.9	-31.9	0	0	0	112.5	D225 Y229 W433 K597	D225-D227 PolarHBondContact O-N 3.21Å; D227-Y229 WeakPolarHBondContact O-CD1 3.47Å; D227-W433 HydrophobicContact CB-CZ2 4.14Å; D227-W433 WeakPolarHBondContact O-CZ2 3.37Å; D227-K597 IonicContact OD2-NZ 2.95Å; D227-K597 PolarHBondContact OD2-NZ 2.91Å
228	V	93.6	Very high	91	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.			trans	-84.6	131.4	179.3	-170.1	0	0	0	0	109.4	D225 A315 Q354 P355 W433	D225-V228 HydrophobicContact CB-CG2 3.75Å; D225-V228 PolarHBondContact O-N 3.4Å; D225-V228 WeakPolarHBondContact OD2-CG2 3.42Å; V228-A315 HydrophobicContact CB-CB 4.13Å; V228-A315 HydrophobicContact CG1-CB 4Å; V228-A315 HydrophobicContact CG2-CB 4.2Å; V228-Q354 PolarHBondContact O-NE2 3.45Å; V228-P355 HydrophobicContact CB-CG 4.28Å; V228-P355 HydrophobicContact CG1-CB 4.02Å; V228-P355 HydrophobicContact CG1-CG 3.5Å; V228-P355 VanDerWaalsContact CG1-CG 3.5Å; V228-W433 HydrophobicContact CB-CH2 4.27Å; V228-W433 HydrophobicContact CB-CZ2 4.21Å; V228-W433 HydrophobicContact CG2-CH2 3.23Å; V228-W433 HydrophobicContact CG2-CZ2 3.59Å; V228-W433 HydrophobicContact CG2-CZ3 4.04Å
229	Y	95.6	Very high	91.4	Very high	5 Å²	5	44 Å²	44	2%	0.02	24%	0.244	C	C	.	.			trans	-148.8	169.9	-177.9	68.6	-74.2	0	0	0	110.5	Q198 P200 D227 P231 Y317 W433	Q198-Y229 WeakPolarHBondContact O-CE2 3.22Å; Q198-Y229 PolarHBondContact O-OH 2.82Å; Q198-Y229 VanDerWaalsContact O-OH 3.06Å; P200-Y229 VanDerWaalsContact CD-CE1 3.44Å; P200-Y229 HydrophobicContact CG-CD1 3.83Å; P200-Y229 HydrophobicContact CG-CE1 4.12Å; P200-Y229 HydrophobicContact CG-CG 4.25Å; D227-Y229 WeakPolarHBondContact O-CD1 3.47Å; Y229-P231 HydrophobicContact CD2-CG 4.23Å; Y229-P231 HydrophobicContact CE2-CB 4.01Å; Y229-P231 HydrophobicContact CE2-CG 3.61Å; Y229-P231 WeakPolarHBondContact O-CD 3.29Å; Y229-Y317 HydrophobicContact CD1-CD2 4.5Å; Y229-Y317 HydrophobicContact CD1-CE2 4.34Å; Y229-Y317 HydrophobicContact CE1-CD2 4.33Å; Y229-Y317 AromaticContact CE1-CE2 3.82Å; Y229-Y317 HydrophobicContact CE1-CE2 3.82Å; Y229-Y317 HydrophobicContact CE2-CE2 4.44Å; Y229-Y317 AromaticContact CZ-CE2 3.87Å; Y229-Y317 WeakPolarHBondContact O-CD2 3.25Å; Y229-W433 AromaticContact CE1-NE1 3.86Å
230	C	97.1	Very high	91.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.224	C	C	.	.			trans	-99.9	106.1	168.4	-78.1	0	0	0	0	110.2	Y232 S233 G318 V320 A353 N400	C230-Y232 PolarHBondContact O-N 2.71Å; C230-S233 VanDerWaalsContact O-CB 3.27Å; C230-S233 WeakPolarHBondContact O-CB 3.39Å; C230-S233 PolarHBondContact O-N 3.34Å; C230-S233 VanDerWaalsContact O-N 3.15Å; C230-G318 WeakPolarHBondContact CA-O 3.4Å; C230-G318 PolarHBondContact SG-O 3.08Å; C230-V320 HydrophobicContact CB-CG1 3.69Å; C230-V320 HydrophobicContact CB-CG2 4.08Å; C230-A353 HydrophobicContact CB-CB 4.32Å; C230-N400 PolarHBondContact O-ND2 2.58Å
231	P	96.3	Very high	91.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	139.6	169.2	-18.7	22.4	0	0	0	111.5	Y229 S233 Y317 H319 V320 F478	Y229-P231 HydrophobicContact CD2-CG 4.23Å; Y229-P231 HydrophobicContact CE2-CB 4.01Å; Y229-P231 HydrophobicContact CE2-CG 3.61Å; Y229-P231 WeakPolarHBondContact O-CD 3.29Å; P231-S233 PolarHBondContact O-N 3.24Å; P231-Y317 HydrophobicContact CG-CE1 4.35Å; P231-Y317 HydrophobicContact CG-CE2 3.53Å; P231-Y317 WeakPolarHBondContact CG-OH 3.29Å; P231-H319 HydrophobicContact CB-CB 4.01Å; P231-H319 HydrophobicContact CG-CB 4.1Å; P231-V320 VanDerWaalsContact O-CG2 3.24Å; P231-V320 WeakPolarHBondContact O-CG2 3.42Å; P231-V320 PolarHBondContact O-N 2.93Å; P231-F478 HydrophobicContact CB-CD1 3.83Å; P231-F478 HydrophobicContact CB-CE1 3.97Å; P231-F478 HydrophobicContact CG-CD1 4.17Å; P231-F478 HydrophobicContact CG-CE1 4.07Å
232	Y	96	Very high	92	Very high	5 Å²	5	38.2 Å²	38.2	2%	0.02	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	13.6	-176.2	-45.4	-66.6	0	0	0	115.5	L197 Q198 C230 H319 H321 P327 Y328 L348 P349 F478	L197-Y232 WeakPolarHBondContact CD2-OH 3.34Å; Q198-Y232 HydrophobicContact CB-CD1 4.47Å; C230-Y232 PolarHBondContact O-N 2.71Å; Y232-H319 HydrophobicContact CD2-CB 4.21Å; Y232-H319 HydrophobicContact CE2-CB 4.49Å; Y232-H321 HydrophobicContact CD2-CB 3.64Å; Y232-H321 HydrophobicContact CE2-CB 4.36Å; Y232-H321 HydrophobicContact CG-CB 4.03Å; Y232-P327 HydrophobicContact CD1-CG 3.52Å; Y232-P327 HydrophobicContact CE1-CG 3.31Å; Y232-P327 HydrophobicContact CE2-CG 4.48Å; Y232-P327 HydrophobicContact CG-CG 4.17Å; Y232-Y328 HydrophobicContact CE1-CE2 4.34Å; Y232-L348 HydrophobicContact CD1-CD2 4.25Å; Y232-L348 HydrophobicContact CG-CD2 4.21Å; Y232-P349 VanDerWaalsContact O-CD 3.31Å; Y232-P349 WeakPolarHBondContact O-CD 3.31Å; Y232-P349 VanDerWaalsContact O-CG 3.23Å; Y232-P349 WeakPolarHBondContact O-CG 3.31Å; Y232-F478 HydrophobicContact CE2-CB 4.12Å; Y232-F478 HydrophobicContact CE2-CD1 4.18Å; Y232-F478 VanDerWaalsContact CE2-O 3.29Å; Y232-F478 WeakPolarHBondContact CE2-O 3.27Å
233	S	97.2	Very high	92.5	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.021	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-60.6	142.1	168.9	175.2	0	0	0	0	110.8	Q198 C230 P231 V320 P352 A353	Q198-S233 PolarHBondContact NE2-O 2.7Å; C230-S233 VanDerWaalsContact O-CB 3.27Å; C230-S233 WeakPolarHBondContact O-CB 3.39Å; C230-S233 PolarHBondContact O-N 3.34Å; C230-S233 VanDerWaalsContact O-N 3.15Å; P231-S233 PolarHBondContact O-N 3.24Å; S233-V320 VanDerWaalsContact N-CG2 3.33Å; S233-P352 WeakPolarHBondContact OG-CA 3.34Å; S233-A353 PolarHBondContact OG-N 3.11Å; S233-A353 PolarHBondContact OG-O 3.32Å
234	A	96.6	Very high	92.9	Very high	20 Å²	20	34 Å²	34	17%	0.165	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-59.5	142	169.8	0	0	0	0	0	110.1	I351	A234-I351 VanDerWaalsContact CB-C 3.48Å; A234-I351 WeakPolarHBondContact CB-O 3.38Å
235	I	95.3	Very high	93.7	Very high	105 Å²	105	30.3 Å²	30.3	54%	0.538	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-92.7	136.1	-179.5	-57	164.5	0	0	0	107.9	V398 N400	I235-V398 WeakPolarHBondContact CA-O 3.12Å; I235-V398 WeakPolarHBondContact CG2-O 3.34Å; I235-N400 WeakPolarHBondContact CD1-O 3.47Å; I235-N400 VanDerWaalsContact CG1-O 3.29Å; I235-N400 WeakPolarHBondContact CG1-O 3.32Å
236	G	94.6	Very high	94.4	Very high	25 Å²	25	29.7 Å²	29.7	26%	0.258	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	145.4	-178	174.6	0	0	0	0	0	113.8	V398	G236-V398 PolarHBondContact N-O 3.34Å; G236-V398 PolarHBondContact O-N 2.91Å
237	N	94.9	Very high	95.4	Very high	101 Å²	101	27.2 Å²	27.2	54%	0.54	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.5	-178.6	-61.5	-20.8	0	0	0	109.1	L396 A397	N237-L396 WeakPolarHBondContact CA-O 3.34Å; N237-A397 WeakPolarHBondContact OD1-CA 3.48Å; N237-A397 WeakPolarHBondContact OD1-CB 3.43Å
238	V	95.8	Very high	96	Very high	26 Å²	26	23 Å²	23	16%	0.158	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.9	176.7	-67.1	0	0	0	0	109.6	L267 Q290 P352 R395 L396	V238-L267 HydrophobicContact CG2-CD2 3.79Å; V238-Q290 HydrophobicContact CB-CB 4.32Å; V238-P352 HydrophobicContact CG1-CG 3.9Å; V238-P352 HydrophobicContact CG2-CB 4.41Å; V238-P352 HydrophobicContact CG2-CG 4.01Å; V238-R395 WeakPolarHBondContact O-CA 3.4Å; V238-L396 HydrophobicContact CG2-CB 3.98Å; V238-L396 HydrophobicContact CG2-CD2 4.43Å; V238-L396 HydrophobicContact CG2-CG 4.46Å; V238-L396 PolarHBondContact N-O 2.93Å; V238-L396 PolarHBondContact O-N 2.61Å
239	T	95.1	Very high	96	Very high	62 Å²	62	26.2 Å²	26.2	38%	0.38	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.8	-179.9	-60.9	0	0	0	0	109.4	V211 Q290 L394 R395	V211-T239 HydrophobicContact CB-CG2 4.41Å; V211-T239 HydrophobicContact CG1-CG2 4.14Å; V211-T239 HydrophobicContact CG2-CG2 4.03Å; T239-Q290 PolarHBondContact O-OE1 3.21Å; T239-Q290 VanDerWaalsContact O-OE1 3.11Å; T239-L394 VanDerWaalsContact CA-O 3.25Å; T239-L394 WeakPolarHBondContact CA-O 3.42Å; T239-R395 WeakPolarHBondContact OG1-CG 3.38Å
240	G	93.7	Very high	95.8	Very high	9 Å²	9	28.3 Å²	28.3	9%	0.093	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	163	-178.5	0	0	0	0	0	112.3	L394	G240-L394 PolarHBondContact N-O 2.74Å; G240-L394 PolarHBondContact O-N 3.48Å
241	E	95.1	Very high	95.6	Very high	80 Å²	80	32.6 Å²	32.6	37%	0.374	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	145.6	170.5	-60.5	-179.4	134.6	0	0	110.2	R266 L267 P390	E241-R266 HydrophobicContact CB-CG 4.38Å; E241-R266 WeakPolarHBondContact O-CB 3.06Å; E241-R266 IonicContact OE2-CZ 2.97Å; E241-R266 IonicContact OE2-NE 3.77Å; E241-R266 PolarHBondContact OE2-NE 3Å; E241-R266 IonicContact OE2-NH2 3.2Å; E241-R266 PolarHBondContact OE2-NH2 3.36Å; E241-L267 PolarHBondContact O-N 2.9Å; E241-P390 HydrophobicContact CB-CB 4.17Å; E241-P390 WeakPolarHBondContact OE2-CB 3.42Å
242	L	96.6	Very high	95.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138.2	177.1	-169.3	66.9	0	0	0	112.1	L267 L269 L293 L364 L368 G391 P392 L394	L242-L267 CarbonylContact C-O 3.45Å; L242-L267 WeakPolarHBondContact CA-O 3.24Å; L242-L267 HydrophobicContact CD1-CB 4.3Å; L242-L269 HydrophobicContact CD1-CB 4Å; L242-L269 HydrophobicContact CG-CB 4.42Å; L242-L293 HydrophobicContact CD1-CD1 4.29Å; L242-L364 HydrophobicContact CD2-CB 3.65Å; L242-L364 HydrophobicContact CD2-CD1 4.04Å; L242-L364 HydrophobicContact CD2-CD2 4.19Å; L242-L364 HydrophobicContact CD2-CG 4.16Å; L242-L368 HydrophobicContact CB-CD2 4.02Å; L242-L368 HydrophobicContact CD2-CD2 3.94Å; L242-L368 HydrophobicContact CG-CD2 3.99Å; L242-L368 WeakPolarHBondContact O-CD2 3.37Å; L242-G391 PolarHBondContact O-N 3.33Å; L242-P392 PolarHBondContact N-O 3.24Å; L242-L394 HydrophobicContact CB-CD1 3.98Å; L242-L394 HydrophobicContact CD1-CD1 3.9Å; L242-L394 HydrophobicContact CD2-CD1 4.04Å; L242-L394 HydrophobicContact CG-CD1 4.19Å
243	V	97.3	Very high	95.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.5	172.7	164.7	0	0	0	0	110.4	L256 V261 R266 L267 L268 L269 L388	V243-L256 HydrophobicContact CG1-CD1 3.88Å; V243-L256 HydrophobicContact CG1-CD2 3.48Å; V243-L256 VanDerWaalsContact CG1-CD2 3.48Å; V243-L256 HydrophobicContact CG1-CG 4.15Å; V243-V261 HydrophobicContact CB-CG1 4.28Å; V243-V261 HydrophobicContact CG1-CG1 3.6Å; V243-V261 HydrophobicContact CG2-CG1 3.58Å; V243-R266 HydrophobicContact CG2-CB 4.43Å; V243-L267 PolarHBondContact N-O 2.92Å; V243-L268 HydrophobicContact CB-CD2 3.94Å; V243-L268 HydrophobicContact CG1-CD2 3.98Å; V243-L268 CarbonylContact O-C 3.54Å; V243-L268 WeakPolarHBondContact O-CA 3.24Å; V243-L269 PolarHBondContact O-N 3.46Å; V243-L388 WeakPolarHBondContact CA-O 3.42Å; V243-L388 WeakPolarHBondContact CG1-O 3.36Å
244	Y	97.6	Very high	95.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.7	177.1	174.7	-121.5	0	0	0	111.2	L256 L269 R271 Y295 L365 A373 W377 Y386 L388	Y244-L256 WeakPolarHBondContact O-CD1 3.19Å; Y244-L269 HydrophobicContact CD2-CB 4.5Å; Y244-L269 HydrophobicContact CD2-CD2 4.47Å; Y244-L269 HydrophobicContact CD2-CG 4.43Å; Y244-L269 WeakPolarHBondContact CD2-O 3.46Å; Y244-R271 HydrophobicContact CE2-CG 4.48Å; Y244-R271 PolarHBondContact OH-NE 3.19Å; Y244-R271 PolarHBondContact OH-NH2 2.67Å; Y244-Y295 HydrophobicContact CE2-CE1 4.33Å; Y244-L365 HydrophobicContact CD2-CD2 4.14Å; Y244-L365 HydrophobicContact CG-CD2 4.2Å; Y244-A373 HydrophobicContact CD1-CB 4.33Å; Y244-A373 HydrophobicContact CE1-CB 4.3Å; Y244-W377 HydrophobicContact CD1-CE3 4.46Å; Y244-W377 HydrophobicContact CE1-CB 4.11Å; Y244-W377 HydrophobicContact CE1-CE3 4.23Å; Y244-W377 WeakPolarHBondContact CE1-O 3.48Å; Y244-W377 PolarHBondContact OH-O 3.12Å; Y244-W377 VanDerWaalsContact OH-O 3.08Å; Y244-Y386 HydrophobicContact CE1-CD2 4.01Å; Y244-L388 HydrophobicContact CD1-CD2 4.26Å; Y244-L388 PolarHBondContact N-O 3.04Å
245	A	97.1	Very high	95.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.21	C	C	.	.			trans	-123.8	25.6	-169.9	0	0	0	0	0	113.2	Y247 G248 L253 L256 L268 L269 V270	A245-Y247 PolarHBondContact O-N 2.84Å; A245-G248 WeakPolarHBondContact O-CA 3.45Å; A245-G248 PolarHBondContact O-N 3.1Å; A245-L253 HydrophobicContact CB-CD2 3.76Å; A245-L256 HydrophobicContact CB-CD2 4.14Å; A245-L268 HydrophobicContact CB-CB 4.39Å; A245-L268 HydrophobicContact CB-CD1 4.19Å; A245-L268 HydrophobicContact CB-CD2 4.32Å; A245-L269 PolarHBondContact N-O 3.46Å; A245-V270 HydrophobicContact CB-CG1 3.88Å
246	H	96.6	Very high	95	Very high	8 Å²	8	35 Å²	35	4%	0.037	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	-124.1	175.7	-169.6	-139.1	0	0	0	112.8	G248 D252 V270 R271 E376 W377	H246-G248 VanDerWaalsContact C-N 3.33Å; H246-D252 HydrophobicContact CB-CB 4.34Å; H246-D252 IonicContact CG-OD1 3.34Å; H246-D252 IonicContact ND1-OD1 2.75Å; H246-D252 PolarHBondContact ND1-OD1 3.3Å; H246-D252 IonicContact ND1-OD2 3.17Å; H246-V270 CarbonylContact O-C 3.14Å; H246-V270 VanDerWaalsContact O-CA 3.28Å; H246-V270 WeakPolarHBondContact O-CA 3.34Å; H246-R271 PolarHBondContact O-N 3.32Å; H246-E376 PolarHBondContact NE2-O 3.46Å; H246-W377 HydrophobicContact CB-CD2 3.45Å; H246-W377 VanDerWaalsContact CB-CD2 3.45Å; H246-W377 HydrophobicContact CB-CE3 3.64Å; H246-W377 HydrophobicContact CB-CG 3.84Å; H246-W377 HydrophobicContact CB-CH2 4.17Å; H246-W377 HydrophobicContact CB-CZ2 4.01Å; H246-W377 HydrophobicContact CB-CZ3 3.98Å; H246-W377 AromaticContact CD2-CD1 3.64Å; H246-W377 AromaticContact CD2-CG 3.69Å; H246-W377 AromaticContact CE1-CD1 3.32Å; H246-W377 AromaticContact CE1-NE1 3.66Å; H246-W377 AromaticContact CG-CD1 3.44Å; H246-W377 VanDerWaalsContact CG-CD1 3.44Å; H246-W377 AromaticContact CG-CD2 3.72Å; H246-W377 AromaticContact CG-CE2 3.78Å; H246-W377 AromaticContact CG-CG 3.58Å; H246-W377 AromaticContact CG-NE1 3.65Å; H246-W377 AromaticContact ND1-CD1 3.26Å; H246-W377 VanDerWaalsContact ND1-CD1 3.26Å; H246-W377 AromaticContact ND1-CE2 3.71Å; H246-W377 AromaticContact ND1-CG 3.9Å; H246-W377 AromaticContact ND1-NE1 3.22Å; H246-W377 PolarHBondContact ND1-NE1 2.97Å; H246-W377 AromaticContact NE2-CD1 3.58Å
247	Y	96.8	Very high	94.9	Very high	33 Å²	33	38.8 Å²	38.8	13%	0.129	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.6	176.1	-68.1	-71.6	0	0	0	113.7	A245 R249 D252 R271 V272 V274 K280 D300	A245-Y247 PolarHBondContact O-N 2.84Å; Y247-R249 VanDerWaalsContact C-N 3.31Å; Y247-R249 PolarHBondContact O-N 3.3Å; Y247-D252 PolarHBondContact N-OD2 2.91Å; Y247-R271 HydrophobicContact CD1-CB 3.71Å; Y247-R271 HydrophobicContact CE1-CB 3.7Å; Y247-V272 VanDerWaalsContact CE1-O 3.27Å; Y247-V272 WeakPolarHBondContact CE1-O 3.31Å; Y247-V274 HydrophobicContact CD1-CB 4.19Å; Y247-V274 HydrophobicContact CD1-CG2 3.69Å; Y247-V274 HydrophobicContact CD2-CB 4.49Å; Y247-V274 HydrophobicContact CD2-CG2 3.72Å; Y247-V274 HydrophobicContact CE1-CG2 3.86Å; Y247-V274 HydrophobicContact CE2-CG2 3.89Å; Y247-V274 HydrophobicContact CG-CB 4.06Å; Y247-V274 HydrophobicContact CG-CG2 3.64Å; Y247-K280 PolarHBondContact O-NZ 2.64Å; Y247-D300 VanDerWaalsContact CE1-OD2 3.3Å; Y247-D300 WeakPolarHBondContact CE1-OD2 3.28Å; Y247-D300 PolarHBondContact OH-OD1 3.28Å; Y247-D300 PolarHBondContact OH-OD2 3.25Å
248	G	96.5	Very high	94.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.01	20%	0.2	C	C	.	.			trans	69.3	25.3	178.3	0	0	0	0	0	114.1	A245 H246 D252 I275 N283	A245-G248 WeakPolarHBondContact O-CA 3.45Å; A245-G248 PolarHBondContact O-N 3.1Å; H246-G248 VanDerWaalsContact C-N 3.33Å; G248-D252 PolarHBondContact N-OD2 3.03Å; G248-I275 WeakPolarHBondContact O-CD1 3.22Å; G248-N283 WeakPolarHBondContact O-CB 3.43Å; G248-N283 PolarHBondContact O-ND2 3.03Å
249	R	95.1	Very high	94.5	Very high	67 Å²	67	42.2 Å²	42.2	25%	0.253	21%	0.212	S	C	.	.			trans	-71.8	157.9	173.1	-60.3	174.7	-65.5	166.5	2.2	110.5	Y247 E251 D252 L253 I275	Y247-R249 VanDerWaalsContact C-N 3.31Å; Y247-R249 PolarHBondContact O-N 3.3Å; R249-E251 HydrophobicContact CB-CG 3.82Å; R249-E251 WeakPolarHBondContact CD-OE1 3.31Å; R249-E251 IonicContact NE-OE1 3.47Å; R249-E251 IonicContact NH1-OE1 3.74Å; R249-E251 PolarHBondContact O-N 3.39Å; R249-D252 HydrophobicContact CB-CB 4.4Å; R249-D252 VanDerWaalsContact CB-OD2 3.28Å; R249-D252 WeakPolarHBondContact CB-OD2 3.48Å; R249-D252 WeakPolarHBondContact CG-OD2 3.43Å; R249-D252 IonicContact CZ-OD1 3.62Å; R249-D252 IonicContact CZ-OD2 3.47Å; R249-D252 PolarHBondContact N-OD2 3.38Å; R249-D252 IonicContact NE-OD1 3.71Å; R249-D252 PolarHBondContact NE-OD1 2.87Å; R249-D252 IonicContact NE-OD2 2.64Å; R249-D252 PolarHBondContact NE-OD2 3.33Å; R249-D252 IonicContact NH2-OD1 3.73Å; R249-D252 PolarHBondContact NH2-OD1 3.24Å; R249-D252 IonicContact NH2-OD2 3.54Å; R249-D252 PolarHBondContact O-N 2.74Å; R249-L253 WeakPolarHBondContact O-CG 3.13Å; R249-L253 PolarHBondContact O-N 3Å; R249-I275 HydrophobicContact CG-CD1 4.07Å; R249-I275 HydrophobicContact CG-CG1 4.33Å; R249-I275 HydrophobicContact CG-CG2 4.21Å
250	P	91.3	Very high	94.4	Very high	48 Å²	48	42.6 Å²	42.6	31%	0.312	23%	0.229	S	C	.	.	H	α-helix	trans	-54.8	-41.1	175.2	-24.5	36.2	0	0	0	112.1	L253 Q254 N283	P250-L253 PolarHBondContact O-N 3.36Å; P250-Q254 VanDerWaalsContact O-CG 3.27Å; P250-Q254 WeakPolarHBondContact O-CG 3.29Å; P250-Q254 PolarHBondContact O-N 2.98Å; P250-N283 WeakPolarHBondContact CD-ND2 3.46Å
251	E	91.6	Very high	94.4	Very high	90 Å²	90	42.4 Å²	42.4	42%	0.421	23%	0.226	S	C	.	.	H	α-helix	trans	-62.7	-41.4	173.4	47.4	-89	-158.2	0	0	113.3	R249 L253 Q254 D255	R249-E251 HydrophobicContact CB-CG 3.82Å; R249-E251 WeakPolarHBondContact CD-OE1 3.31Å; R249-E251 IonicContact NE-OE1 3.47Å; R249-E251 IonicContact NH1-OE1 3.74Å; R249-E251 PolarHBondContact O-N 3.39Å; E251-L253 VanDerWaalsContact C-N 3.33Å; E251-L253 PolarHBondContact O-N 3.36Å; E251-Q254 PolarHBondContact O-N 3.21Å; E251-D255 WeakPolarHBondContact O-CB 3.38Å; E251-D255 PolarHBondContact O-N 3.3Å
252	D	95.4	Very high	94.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-42.8	177.1	-60.9	-43.7	0	0	0	110.6	H246 Y247 G248 R249 Q254 D255 L256 W377	H246-D252 HydrophobicContact CB-CB 4.34Å; H246-D252 IonicContact CG-OD1 3.34Å; H246-D252 IonicContact ND1-OD1 2.75Å; H246-D252 PolarHBondContact ND1-OD1 3.3Å; H246-D252 IonicContact ND1-OD2 3.17Å; Y247-D252 PolarHBondContact N-OD2 2.91Å; G248-D252 PolarHBondContact N-OD2 3.03Å; R249-D252 HydrophobicContact CB-CB 4.4Å; R249-D252 VanDerWaalsContact CB-OD2 3.28Å; R249-D252 WeakPolarHBondContact CB-OD2 3.48Å; R249-D252 WeakPolarHBondContact CG-OD2 3.43Å; R249-D252 IonicContact CZ-OD1 3.62Å; R249-D252 IonicContact CZ-OD2 3.47Å; R249-D252 PolarHBondContact N-OD2 3.38Å; R249-D252 IonicContact NE-OD1 3.71Å; R249-D252 PolarHBondContact NE-OD1 2.87Å; R249-D252 IonicContact NE-OD2 2.64Å; R249-D252 PolarHBondContact NE-OD2 3.33Å; R249-D252 IonicContact NH2-OD1 3.73Å; R249-D252 PolarHBondContact NH2-OD1 3.24Å; R249-D252 IonicContact NH2-OD2 3.54Å; R249-D252 PolarHBondContact O-N 2.74Å; D252-Q254 PolarHBondContact O-N 2.84Å; D252-D255 PolarHBondContact O-N 2.86Å; D252-L256 VanDerWaalsContact O-CB 3.3Å; D252-L256 WeakPolarHBondContact O-CB 3.31Å; D252-L256 PolarHBondContact O-N 2.99Å; D252-W377 HydrophobicContact CB-CH2 4.05Å; D252-W377 HydrophobicContact CB-CZ2 3.8Å; D252-W377 VanDerWaalsContact O-CH2 3.29Å; D252-W377 WeakPolarHBondContact O-CH2 3.48Å
253	L	95.3	Very high	94.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-69.8	-31.9	179.5	-61.6	174.8	0	0	0	112.8	A245 R249 P250 E251 L256 R257 L268 N283 F287	A245-L253 HydrophobicContact CB-CD2 3.76Å; R249-L253 WeakPolarHBondContact O-CG 3.13Å; R249-L253 PolarHBondContact O-N 3Å; P250-L253 PolarHBondContact O-N 3.36Å; E251-L253 VanDerWaalsContact C-N 3.33Å; E251-L253 PolarHBondContact O-N 3.36Å; L253-L256 HydrophobicContact CD2-CD2 4.43Å; L253-R257 PolarHBondContact O-N 2.97Å; L253-L268 HydrophobicContact CD2-CD1 3.67Å; L253-N283 HydrophobicContact CD1-CB 3.85Å; L253-N283 WeakPolarHBondContact CD1-O 3.31Å; L253-F287 HydrophobicContact CB-CD1 3.65Å; L253-F287 HydrophobicContact CB-CD2 4.07Å; L253-F287 HydrophobicContact CB-CE1 3.64Å; L253-F287 HydrophobicContact CB-CE2 4.05Å; L253-F287 HydrophobicContact CB-CG 3.86Å; L253-F287 HydrophobicContact CB-CZ 3.84Å; L253-F287 HydrophobicContact CD1-CB 4.12Å; L253-F287 HydrophobicContact CD1-CD1 4.46Å; L253-F287 HydrophobicContact CD1-CD2 3.56Å; L253-F287 HydrophobicContact CD1-CE2 4.01Å; L253-F287 HydrophobicContact CD1-CG 3.8Å; L253-F287 HydrophobicContact CG-CD2 4.47Å; L253-F287 HydrophobicContact CG-CG 4.43Å
254	Q	92.2	Very high	94.2	Very high	114 Å²	114	43.4 Å²	43.4	53%	0.533	24%	0.239	S	C	.	.	H	α-helix	trans	-68.3	-46.1	172.5	-72	171.1	30.5	0	0	111.3	P250 E251 D252 L256 R257 A258 F287	P250-Q254 VanDerWaalsContact O-CG 3.27Å; P250-Q254 WeakPolarHBondContact O-CG 3.29Å; P250-Q254 PolarHBondContact O-N 2.98Å; E251-Q254 PolarHBondContact O-N 3.21Å; D252-Q254 PolarHBondContact O-N 2.84Å; Q254-L256 VanDerWaalsContact C-N 3.29Å; Q254-L256 PolarHBondContact O-N 2.92Å; Q254-R257 PolarHBondContact O-N 3.44Å; Q254-A258 WeakPolarHBondContact O-CB 3.14Å; Q254-A258 PolarHBondContact O-N 3.47Å; Q254-F287 HydrophobicContact CG-CE1 3.93Å; Q254-F287 HydrophobicContact CG-CZ 3.77Å
255	D	92.3	Very high	94	Very high	69 Å²	69	45 Å²	45	37%	0.369	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-38.5	177.7	-76.9	-12.4	0	0	0	111.7	E251 D252 A258 R259 W377	E251-D255 WeakPolarHBondContact O-CB 3.38Å; E251-D255 PolarHBondContact O-N 3.3Å; D252-D255 PolarHBondContact O-N 2.86Å; D255-A258 PolarHBondContact O-N 3.41Å; D255-R259 WeakPolarHBondContact O-CD 3.44Å; D255-R259 VanDerWaalsContact O-CG 3.23Å; D255-R259 WeakPolarHBondContact O-CG 3.34Å; D255-R259 PolarHBondContact O-N 3.19Å; D255-W377 HydrophobicContact CB-CH2 4.48Å; D255-W377 HydrophobicContact CB-CZ2 4.2Å
256	L	94.4	Very high	94	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-49	174.1	-177.7	66.6	0	0	0	111.4	V243 Y244 A245 D252 L253 Q254 R259 V261 P263 W377 L388	V243-L256 HydrophobicContact CG1-CD1 3.88Å; V243-L256 HydrophobicContact CG1-CD2 3.48Å; V243-L256 VanDerWaalsContact CG1-CD2 3.48Å; V243-L256 HydrophobicContact CG1-CG 4.15Å; Y244-L256 WeakPolarHBondContact O-CD1 3.19Å; A245-L256 HydrophobicContact CB-CD2 4.14Å; D252-L256 VanDerWaalsContact O-CB 3.3Å; D252-L256 WeakPolarHBondContact O-CB 3.31Å; D252-L256 PolarHBondContact O-N 2.99Å; L253-L256 HydrophobicContact CD2-CD2 4.43Å; Q254-L256 VanDerWaalsContact C-N 3.29Å; Q254-L256 PolarHBondContact O-N 2.92Å; L256-R259 PolarHBondContact O-N 3.43Å; L256-V261 CarbonylContact C-O 3.58Å; L256-V261 VanDerWaalsContact C-O 3.27Å; L256-V261 HydrophobicContact CD1-CB 3.78Å; L256-V261 HydrophobicContact CD1-CG1 3.93Å; L256-V261 HydrophobicContact CG-CB 4.12Å; L256-V261 HydrophobicContact CG-CG1 4.29Å; L256-V261 PolarHBondContact O-N 2.88Å; L256-V261 VanDerWaalsContact O-O 3.11Å; L256-P263 HydrophobicContact CD2-CB 4.48Å; L256-W377 HydrophobicContact CB-CH2 4.33Å; L256-W377 HydrophobicContact CD1-CZ3 4.46Å; L256-L388 HydrophobicContact CD1-CB 4.05Å; L256-L388 HydrophobicContact CD1-CD1 4.2Å; L256-L388 HydrophobicContact CD1-CD2 4.21Å; L256-L388 HydrophobicContact CD1-CG 4.39Å
257	R	92.6	Very high	94	Very high	104 Å²	104	47.2 Å²	47.2	39%	0.392	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-41.3	176.4	-175.4	178.8	-74.4	152.7	-0.3	112	L253 Q254 R259 G260 V261 D262	L253-R257 PolarHBondContact O-N 2.97Å; Q254-R257 PolarHBondContact O-N 3.44Å; R257-R259 PolarHBondContact O-N 3Å; R257-G260 PolarHBondContact O-N 3.44Å; R257-V261 WeakPolarHBondContact CA-O 3.44Å; R257-V261 PolarHBondContact N-O 3.35Å; R257-D262 IonicContact CZ-OD1 3.02Å; R257-D262 IonicContact NE-OD1 2.82Å; R257-D262 PolarHBondContact NE-OD1 2.88Å; R257-D262 VanDerWaalsContact NE-OD1 3.12Å; R257-D262 IonicContact NH2-OD1 3.63Å; R257-D262 PolarHBondContact NH2-OD1 2.99Å; R257-D262 VanDerWaalsContact NH2-OD1 3.1Å
258	A	90.6	Very high	94.1	Very high	87 Å²	87	45.7 Å²	45.7	72%	0.719	26%	0.257	S	S	*	.	H	α-helix	trans	-60.9	-26.5	177.2	0	0	0	0	0	112.5	Q254 D255 G260	Q254-A258 WeakPolarHBondContact O-CB 3.14Å; Q254-A258 PolarHBondContact O-N 3.47Å; D255-A258 PolarHBondContact O-N 3.41Å; A258-G260 VanDerWaalsContact C-N 3.31Å
259	R	92.2	Very high	94.2	Very high	113 Å²	113	45.6 Å²	45.6	43%	0.426	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	9	176	-66.4	167.4	-171.9	-85.3	1.2	113.7	D255 L256 R257 L388	D255-R259 WeakPolarHBondContact O-CD 3.44Å; D255-R259 VanDerWaalsContact O-CG 3.23Å; D255-R259 WeakPolarHBondContact O-CG 3.34Å; D255-R259 PolarHBondContact O-N 3.19Å; L256-R259 PolarHBondContact O-N 3.43Å; R257-R259 PolarHBondContact O-N 3Å; R259-L388 HydrophobicContact CB-CD1 4.12Å
260	G	91.6	Very high	94.3	Very high	70 Å²	70	42.5 Å²	42.5	72%	0.722	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.9	12.4	173.8	0	0	0	0	0	115.1	R257 A258	R257-G260 PolarHBondContact O-N 3.44Å; A258-G260 VanDerWaalsContact C-N 3.31Å
261	V	94.4	Very high	94.6	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.03	23%	0.231	C	C	.	.			trans	-111.1	112.8	175.7	-175.7	0	0	0	0	108.7	V243 L256 R257 P371 L388	V243-V261 HydrophobicContact CB-CG1 4.28Å; V243-V261 HydrophobicContact CG1-CG1 3.6Å; V243-V261 HydrophobicContact CG2-CG1 3.58Å; L256-V261 CarbonylContact C-O 3.58Å; L256-V261 VanDerWaalsContact C-O 3.27Å; L256-V261 HydrophobicContact CD1-CB 3.78Å; L256-V261 HydrophobicContact CD1-CG1 3.93Å; L256-V261 HydrophobicContact CG-CB 4.12Å; L256-V261 HydrophobicContact CG-CG1 4.29Å; L256-V261 PolarHBondContact O-N 2.88Å; L256-V261 VanDerWaalsContact O-O 3.11Å; R257-V261 WeakPolarHBondContact CA-O 3.44Å; R257-V261 PolarHBondContact N-O 3.35Å; V261-P371 HydrophobicContact CG2-CG 4.27Å; V261-L388 HydrophobicContact CG2-CB 4.05Å
262	D	93.5	Very high	94.7	Very high	60 Å²	60	37.4 Å²	37.4	32%	0.321	22%	0.219	S	C	.	.			trans	-89.8	126.1	-177.2	-165.9	16.5	0	0	0	111.3	R257 A264 R266	R257-D262 IonicContact CZ-OD1 3.02Å; R257-D262 IonicContact NE-OD1 2.82Å; R257-D262 PolarHBondContact NE-OD1 2.88Å; R257-D262 VanDerWaalsContact NE-OD1 3.12Å; R257-D262 IonicContact NH2-OD1 3.63Å; R257-D262 PolarHBondContact NH2-OD1 2.99Å; R257-D262 VanDerWaalsContact NH2-OD1 3.1Å; D262-A264 PolarHBondContact O-N 3.23Å; D262-R266 WeakPolarHBondContact O-CD 3.32Å; D262-R266 PolarHBondContact O-NH1 3.43Å
263	P	94.4	Very high	94.5	Very high	0 Å²	0	39 Å²	39	0%	0	24%	0.235	C	C	.	.			trans	-67	-20	174.2	24.3	-35.6	0	0	0	114	L256 G265 R266 L268 F287 A289	L256-P263 HydrophobicContact CD2-CB 4.48Å; P263-G265 PolarHBondContact O-N 2.97Å; P263-R266 PolarHBondContact O-N 3.43Å; P263-L268 HydrophobicContact CB-CD1 4.23Å; P263-L268 HydrophobicContact CB-CD2 3.99Å; P263-F287 HydrophobicContact CB-CB 4.25Å; P263-F287 HydrophobicContact CG-CB 3.74Å; P263-F287 HydrophobicContact CG-CD1 4Å; P263-F287 HydrophobicContact CG-CG 4.32Å; P263-A289 WeakPolarHBondContact O-CA 3.36Å
264	A	96.1	Very high	94.2	Very high	41 Å²	41	43.9 Å²	43.9	34%	0.339	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	131.2	-174.6	0	0	0	0	0	112.7	D262 R266 G288	D262-A264 PolarHBondContact O-N 3.23Å; A264-R266 PolarHBondContact O-N 3.29Å; A264-G288 CarbonylContact C-O 3.57Å; A264-G288 WeakPolarHBondContact CA-O 3.49Å
265	G	94.7	Very high	94.2	Very high	33 Å²	33	40 Å²	40	34%	0.34	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	5.8	179.7	0	0	0	0	0	115.1	P263 G288 Q290	P263-G265 PolarHBondContact O-N 2.97Å; G265-G288 PolarHBondContact N-O 3.3Å; G265-Q290 PolarHBondContact O-NE2 2.73Å
266	R	96.3	Very high	94.3	Very high	56 Å²	56	37.6 Å²	37.6	21%	0.211	24%	0.236	C	C	.	.	S	Bend	trans	-114.5	167.1	-172.9	-64.9	-166.7	172.2	99.7	0.8	112.8	E241 V243 D262 P263 A264 Q290	E241-R266 HydrophobicContact CB-CG 4.38Å; E241-R266 WeakPolarHBondContact O-CB 3.06Å; E241-R266 IonicContact OE2-CZ 2.97Å; E241-R266 IonicContact OE2-NE 3.77Å; E241-R266 PolarHBondContact OE2-NE 3Å; E241-R266 IonicContact OE2-NH2 3.2Å; E241-R266 PolarHBondContact OE2-NH2 3.36Å; V243-R266 HydrophobicContact CG2-CB 4.43Å; D262-R266 WeakPolarHBondContact O-CD 3.32Å; D262-R266 PolarHBondContact O-NH1 3.43Å; P263-R266 PolarHBondContact O-N 3.43Å; A264-R266 PolarHBondContact O-N 3.29Å; R266-Q290 PolarHBondContact O-N 2.78Å
267	L	97.7	Very high	94.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.8	169.3	-66.4	176.6	0	0	0	109.3	V238 E241 L242 V243 Q290 G291 L394 L396	V238-L267 HydrophobicContact CG2-CD2 3.79Å; E241-L267 PolarHBondContact O-N 2.9Å; L242-L267 CarbonylContact C-O 3.45Å; L242-L267 WeakPolarHBondContact CA-O 3.24Å; L242-L267 HydrophobicContact CD1-CB 4.3Å; V243-L267 PolarHBondContact N-O 2.92Å; L267-Q290 HydrophobicContact CD2-CB 4.48Å; L267-G291 WeakPolarHBondContact CA-O 3.48Å; L267-L394 HydrophobicContact CD1-CB 3.71Å; L267-L394 WeakPolarHBondContact CD1-O 3.48Å; L267-L396 HydrophobicContact CD1-CB 4.49Å
268	L	98.2	Very high	94.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.9	-179.1	-60.7	-170.8	0	0	0	111.4	V243 A245 L253 P263 V270 A284 A289 G291 V292 L293	V243-L268 HydrophobicContact CB-CD2 3.94Å; V243-L268 HydrophobicContact CG1-CD2 3.98Å; V243-L268 CarbonylContact O-C 3.54Å; V243-L268 WeakPolarHBondContact O-CA 3.24Å; A245-L268 HydrophobicContact CB-CB 4.39Å; A245-L268 HydrophobicContact CB-CD1 4.19Å; A245-L268 HydrophobicContact CB-CD2 4.32Å; L253-L268 HydrophobicContact CD2-CD1 3.67Å; P263-L268 HydrophobicContact CB-CD1 4.23Å; P263-L268 HydrophobicContact CB-CD2 3.99Å; L268-V270 HydrophobicContact CB-CG1 4.34Å; L268-A284 HydrophobicContact CD1-CB 3.69Å; L268-A289 HydrophobicContact CD1-CB 3.88Å; L268-A289 HydrophobicContact CG-CB 3.82Å; L268-G291 PolarHBondContact N-O 2.92Å; L268-V292 CarbonylContact O-C 3.56Å; L268-V292 WeakPolarHBondContact O-CA 3.45Å; L268-L293 PolarHBondContact O-N 3.36Å
269	L	98.2	Very high	94.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120	165.8	-177.4	64.3	0	0	0	108.9	L242 V243 Y244 A245 L293 Y295 I356 L364 L365	L242-L269 HydrophobicContact CD1-CB 4Å; L242-L269 HydrophobicContact CG-CB 4.42Å; V243-L269 PolarHBondContact O-N 3.46Å; Y244-L269 HydrophobicContact CD2-CB 4.5Å; Y244-L269 HydrophobicContact CD2-CD2 4.47Å; Y244-L269 HydrophobicContact CD2-CG 4.43Å; Y244-L269 WeakPolarHBondContact CD2-O 3.46Å; A245-L269 PolarHBondContact N-O 3.46Å; L269-L293 WeakPolarHBondContact CA-O 3.37Å; L269-L293 HydrophobicContact CD1-CB 3.98Å; L269-Y295 HydrophobicContact CD1-CD1 3.5Å; L269-Y295 HydrophobicContact CD1-CE1 4.06Å; L269-Y295 HydrophobicContact CD1-CG 4.34Å; L269-Y295 HydrophobicContact CD2-CD1 4.41Å; L269-Y295 HydrophobicContact CD2-CE1 4.19Å; L269-Y295 HydrophobicContact CG-CD1 3.82Å; L269-Y295 HydrophobicContact CG-CE1 3.83Å; L269-I356 HydrophobicContact CD1-CD1 3.78Å; L269-L364 HydrophobicContact CD1-CD1 4.41Å; L269-L364 HydrophobicContact CD2-CB 4.42Å; L269-L365 HydrophobicContact CD2-CD2 3.65Å; L269-L365 HydrophobicContact CD2-CG 3.76Å
270	V	98.1	Very high	95	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.9	-178.4	-59.3	0	0	0	0	111.6	A245 H246 L268 K280 V292 L293 I294 Y295	A245-V270 HydrophobicContact CB-CG1 3.88Å; H246-V270 CarbonylContact O-C 3.14Å; H246-V270 VanDerWaalsContact O-CA 3.28Å; H246-V270 WeakPolarHBondContact O-CA 3.34Å; L268-V270 HydrophobicContact CB-CG1 4.34Å; V270-K280 HydrophobicContact CG2-CB 4.39Å; V270-K280 HydrophobicContact CG2-CD 4.02Å; V270-V292 HydrophobicContact CG1-CG1 4.47Å; V270-V292 HydrophobicContact CG2-CG1 3.53Å; V270-L293 PolarHBondContact N-O 2.71Å; V270-I294 HydrophobicContact CG2-CB 4.3Å; V270-I294 HydrophobicContact CG2-CG1 3.74Å; V270-I294 HydrophobicContact CG2-CG2 4.34Å; V270-I294 WeakPolarHBondContact O-CA 3.26Å; V270-Y295 VanDerWaalsContact O-CD1 3.25Å; V270-Y295 WeakPolarHBondContact O-CD1 3.47Å; V270-Y295 PolarHBondContact O-N 3.05Å
271	R	96.3	Very high	95.3	Very high	5 Å²	5	23.1 Å²	23.1	2%	0.019	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	150.3	176.6	-63.2	-176.1	-179.6	176.5	9.9	111.7	Y244 H246 Y247 K280 Y295 E297 D300 W377 Q378	Y244-R271 HydrophobicContact CE2-CG 4.48Å; Y244-R271 PolarHBondContact OH-NE 3.19Å; Y244-R271 PolarHBondContact OH-NH2 2.67Å; H246-R271 PolarHBondContact O-N 3.32Å; Y247-R271 HydrophobicContact CD1-CB 3.71Å; Y247-R271 HydrophobicContact CE1-CB 3.7Å; R271-K280 WeakPolarHBondContact O-CE 3.32Å; R271-K280 PolarHBondContact O-NZ 3Å; R271-Y295 CarbonylContact C-O 3.57Å; R271-Y295 WeakPolarHBondContact CA-O 3.42Å; R271-Y295 HydrophobicContact CG-CE1 3.75Å; R271-Y295 HydrophobicContact CG-CE2 4.43Å; R271-Y295 WeakPolarHBondContact CG-OH 3.47Å; R271-Y295 PolarHBondContact NE-OH 3.1Å; R271-E297 HydrophobicContact CG-CB 3.97Å; R271-E297 IonicContact CZ-OE2 3.87Å; R271-E297 IonicContact NE-OE2 3.57Å; R271-E297 IonicContact NH2-OE2 3.64Å; R271-D300 IonicContact NH1-OD1 3.54Å; R271-W377 PolarHBondContact NH2-O 3.09Å; R271-Q378 PolarHBondContact NH1-O 2.92Å; R271-Q378 PolarHBondContact NH2-O 3.31Å
272	V	94.6	Very high	95.4	Very high	26 Å²	26	23.9 Å²	23.9	16%	0.158	15%	0.148	C	C	.	.	S	Bend	trans	-62.4	150.5	161.8	174.3	0	0	0	0	110	Y247 F277 I294 Y295 V316	Y247-V272 VanDerWaalsContact CE1-O 3.27Å; Y247-V272 WeakPolarHBondContact CE1-O 3.31Å; V272-F277 HydrophobicContact CB-CE1 4.48Å; V272-F277 HydrophobicContact CG1-CE1 4.18Å; V272-F277 HydrophobicContact CG2-CE1 3.92Å; V272-F277 HydrophobicContact CG2-CZ 3.85Å; V272-I294 HydrophobicContact CG2-CG2 3.79Å; V272-Y295 WeakPolarHBondContact CG2-O 3.46Å; V272-Y295 PolarHBondContact N-O 3.34Å; V272-V316 HydrophobicContact CG1-CG1 4.42Å; V272-V316 HydrophobicContact CG2-CB 4.06Å; V272-V316 HydrophobicContact CG2-CG1 4.49Å; V272-V316 HydrophobicContact CG2-CG2 4.24Å
273	G	90.4	Very high	95.5	Very high	33 Å²	33	21.8 Å²	21.8	34%	0.34	14%	0.137	S	C	.	.	S	Bend	trans	101.2	175.7	173.3	0	0	0	0	0	115.3	I275 K280	G273-I275 PolarHBondContact O-N 2.96Å; G273-K280 WeakPolarHBondContact O-CE 3.46Å; G273-K280 PolarHBondContact O-NZ 3.02Å
274	V	90	Very high	95.7	Very high	103 Å²	103	21.9 Å²	21.9	62%	0.624	14%	0.138	S	C	*	.	S	Bend	trans	61.9	-52.8	-175.4	-172.3	0	0	0	0	115.3	Y247	Y247-V274 HydrophobicContact CD1-CB 4.19Å; Y247-V274 HydrophobicContact CD1-CG2 3.69Å; Y247-V274 HydrophobicContact CD2-CB 4.49Å; Y247-V274 HydrophobicContact CD2-CG2 3.72Å; Y247-V274 HydrophobicContact CE1-CG2 3.86Å; Y247-V274 HydrophobicContact CE2-CG2 3.89Å; Y247-V274 HydrophobicContact CG-CB 4.06Å; Y247-V274 HydrophobicContact CG-CG2 3.64Å
275	I	92.7	Very high	95.7	Very high	34 Å²	34	22.5 Å²	22.5	17%	0.174	13%	0.134	C	C	.	.	S	Bend	trans	-127.6	160.2	175.8	56.1	165.1	0	0	0	110.1	G248 R249 G273 Q279 K280	G248-I275 WeakPolarHBondContact O-CD1 3.22Å; R249-I275 HydrophobicContact CG-CD1 4.07Å; R249-I275 HydrophobicContact CG-CG1 4.33Å; R249-I275 HydrophobicContact CG-CG2 4.21Å; G273-I275 PolarHBondContact O-N 2.96Å; I275-Q279 HydrophobicContact CB-CB 4.09Å; I275-Q279 HydrophobicContact CD1-CB 4.06Å; I275-Q279 HydrophobicContact CG1-CB 4.48Å; I275-K280 HydrophobicContact CD1-CG 3.69Å; I275-K280 HydrophobicContact CG1-CG 3.77Å; I275-K280 WeakPolarHBondContact O-CE 3.44Å
276	S	94.1	Very high	95.7	Very high	18 Å²	18	26.4 Å²	26.4	13%	0.126	15%	0.147	C	C	.	.			trans	-70.1	160.8	-178.6	75.3	0	0	0	0	112.6	A278 Q279 K280	S276-A278 VanDerWaalsContact C-N 3.29Å; S276-A278 PolarHBondContact O-N 3.23Å; S276-Q279 WeakPolarHBondContact O-CB 3.36Å; S276-Q279 PolarHBondContact O-N 3.1Å; S276-Q279 VanDerWaalsContact O-N 3.11Å; S276-Q279 WeakPolarHBondContact OG-CG 3.48Å; S276-Q279 PolarHBondContact OG-N 3.42Å; S276-Q279 PolarHBondContact OG-OE1 3.3Å; S276-K280 WeakPolarHBondContact O-CG 3.29Å; S276-K280 PolarHBondContact O-N 3.17Å
277	F	96.9	Very high	95.6	Very high	18 Å²	18	25.3 Å²	25.3	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-56.3	-45	175.5	-84.7	45.9	0	0	0	111.2	V272 Q279 K280 V281 I294 V316 G318 H319 V320 P355	V272-F277 HydrophobicContact CB-CE1 4.48Å; V272-F277 HydrophobicContact CG1-CE1 4.18Å; V272-F277 HydrophobicContact CG2-CE1 3.92Å; V272-F277 HydrophobicContact CG2-CZ 3.85Å; F277-Q279 VanDerWaalsContact C-N 3.33Å; F277-Q279 PolarHBondContact O-N 3.44Å; F277-K280 WeakPolarHBondContact O-CB 3.27Å; F277-K280 PolarHBondContact O-N 3.29Å; F277-V281 WeakPolarHBondContact O-CG2 3.37Å; F277-V281 PolarHBondContact O-N 3.31Å; F277-I294 HydrophobicContact CB-CD1 4.2Å; F277-I294 HydrophobicContact CD1-CD1 4.47Å; F277-I294 HydrophobicContact CD1-CG2 4.41Å; F277-I294 HydrophobicContact CD2-CD1 3.41Å; F277-I294 VanDerWaalsContact CD2-CD1 3.41Å; F277-I294 HydrophobicContact CD2-CG2 4.37Å; F277-I294 HydrophobicContact CE1-CG2 3.92Å; F277-I294 HydrophobicContact CE2-CB 4.13Å; F277-I294 HydrophobicContact CE2-CD1 3.85Å; F277-I294 HydrophobicContact CE2-CG2 3.86Å; F277-I294 HydrophobicContact CG-CD1 3.77Å; F277-I294 HydrophobicContact CZ-CB 4.36Å; F277-I294 HydrophobicContact CZ-CG2 3.62Å; F277-V316 HydrophobicContact CZ-CB 4.38Å; F277-V316 HydrophobicContact CZ-CG1 4.28Å; F277-G318 WeakPolarHBondContact CD2-O 3.24Å; F277-H319 VanDerWaalsContact CB-O 3.29Å; F277-H319 WeakPolarHBondContact CB-O 3.27Å; F277-V320 HydrophobicContact CB-CG1 4.02Å; F277-P355 HydrophobicContact CE2-CB 4.48Å
278	A	95.4	Very high	95.5	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.6	-42.7	174.5	0	0	0	0	0	113.4	S276 T282 H319 H321 L322 M564	S276-A278 VanDerWaalsContact C-N 3.29Å; S276-A278 PolarHBondContact O-N 3.23Å; A278-T282 WeakPolarHBondContact O-CB 3.44Å; A278-T282 PolarHBondContact O-N 2.87Å; A278-T282 PolarHBondContact O-OG1 2.8Å; A278-H319 PolarHBondContact N-O 3.21Å; A278-H321 VanDerWaalsContact CB-C 3.44Å; A278-H321 WeakPolarHBondContact CB-O 3.41Å; A278-L322 HydrophobicContact CB-CB 4.33Å; A278-L322 HydrophobicContact CB-CD1 4.04Å; A278-M564 HydrophobicContact CB-CE 4.28Å
279	Q	94.7	Very high	95.5	Very high	51 Å²	51	27.3 Å²	27.3	24%	0.238	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-43.8	176.1	-73.6	173.8	-49.6	0	0	111.5	I275 S276 F277 V281 T282 N283 L322 M564	I275-Q279 HydrophobicContact CB-CB 4.09Å; I275-Q279 HydrophobicContact CD1-CB 4.06Å; I275-Q279 HydrophobicContact CG1-CB 4.48Å; S276-Q279 WeakPolarHBondContact O-CB 3.36Å; S276-Q279 PolarHBondContact O-N 3.1Å; S276-Q279 VanDerWaalsContact O-N 3.11Å; S276-Q279 WeakPolarHBondContact OG-CG 3.48Å; S276-Q279 PolarHBondContact OG-N 3.42Å; S276-Q279 PolarHBondContact OG-OE1 3.3Å; F277-Q279 VanDerWaalsContact C-N 3.33Å; F277-Q279 PolarHBondContact O-N 3.44Å; Q279-V281 PolarHBondContact O-N 3.14Å; Q279-T282 PolarHBondContact O-N 2.82Å; Q279-N283 WeakPolarHBondContact O-CB 3.4Å; Q279-N283 PolarHBondContact O-N 2.84Å; Q279-N283 PolarHBondContact O-ND2 3.19Å; Q279-N283 VanDerWaalsContact O-ND2 3.15Å; Q279-N283 PolarHBondContact O-OD1 3.36Å; Q279-L322 HydrophobicContact CG-CD1 3.94Å; Q279-M564 HydrophobicContact CG-CE 4.43Å
280	K	97.4	Very high	95.4	Very high	1 Å²	1	30.8 Å²	30.8	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-57.8	-48.4	177.7	-65.6	170.9	-166.7	-71.9	0	111.7	Y247 V270 R271 G273 I275 S276 F277 N283 A284 I294	Y247-K280 PolarHBondContact O-NZ 2.64Å; V270-K280 HydrophobicContact CG2-CB 4.39Å; V270-K280 HydrophobicContact CG2-CD 4.02Å; R271-K280 WeakPolarHBondContact O-CE 3.32Å; R271-K280 PolarHBondContact O-NZ 3Å; G273-K280 WeakPolarHBondContact O-CE 3.46Å; G273-K280 PolarHBondContact O-NZ 3.02Å; I275-K280 HydrophobicContact CD1-CG 3.69Å; I275-K280 HydrophobicContact CG1-CG 3.77Å; I275-K280 WeakPolarHBondContact O-CE 3.44Å; S276-K280 WeakPolarHBondContact O-CG 3.29Å; S276-K280 PolarHBondContact O-N 3.17Å; F277-K280 WeakPolarHBondContact O-CB 3.27Å; F277-K280 PolarHBondContact O-N 3.29Å; K280-N283 PolarHBondContact O-N 3.34Å; K280-A284 WeakPolarHBondContact O-CB 3.21Å; K280-A284 PolarHBondContact O-N 2.81Å; K280-I294 HydrophobicContact CD-CG2 4.49Å
281	V	97.8	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68	-42.2	-178.1	179.8	0	0	0	0	111.4	F277 Q279 A284 Q285 V292 I294 V320 P349 I351 A353	F277-V281 WeakPolarHBondContact O-CG2 3.37Å; F277-V281 PolarHBondContact O-N 3.31Å; Q279-V281 PolarHBondContact O-N 3.14Å; V281-A284 PolarHBondContact O-N 3.18Å; V281-Q285 WeakPolarHBondContact O-CB 3.27Å; V281-Q285 PolarHBondContact O-N 3.29Å; V281-V292 HydrophobicContact CG2-CB 4.3Å; V281-V292 HydrophobicContact CG2-CG2 4.36Å; V281-I294 HydrophobicContact CG2-CD1 4.36Å; V281-V320 HydrophobicContact CB-CB 4.4Å; V281-V320 HydrophobicContact CB-CG1 4.44Å; V281-V320 HydrophobicContact CG2-CB 4.08Å; V281-V320 HydrophobicContact CG2-CG1 3.61Å; V281-P349 HydrophobicContact CG1-CB 3.59Å; V281-P349 HydrophobicContact CG1-CG 4.32Å; V281-I351 HydrophobicContact CG1-CD1 4.13Å; V281-I351 HydrophobicContact CG1-CG1 3.75Å; V281-A353 HydrophobicContact CG1-CB 4.36Å; V281-A353 HydrophobicContact CG2-CB 3.57Å
282	T	95.6	Very high	95.5	Very high	20 Å²	20	30.4 Å²	30.4	12%	0.123	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-46.6	176.3	-54.1	0	0	0	0	111.4	A278 Q279 A284 Q285 D286 L322	A278-T282 WeakPolarHBondContact O-CB 3.44Å; A278-T282 PolarHBondContact O-N 2.87Å; A278-T282 PolarHBondContact O-OG1 2.8Å; Q279-T282 PolarHBondContact O-N 2.82Å; T282-A284 VanDerWaalsContact C-N 3.32Å; T282-A284 PolarHBondContact O-N 2.96Å; T282-Q285 WeakPolarHBondContact O-CB 3.45Å; T282-Q285 PolarHBondContact O-N 3.24Å; T282-Q285 VanDerWaalsContact O-N 3.17Å; T282-D286 PolarHBondContact O-N 3.16Å; T282-L322 HydrophobicContact CG2-CD2 3.9Å
283	N	96	Very high	95.7	Very high	16 Å²	16	29.2 Å²	29.2	9%	0.086	17%	0.171	C	C	.	.	H	α-helix	trans	-60.4	-43.8	178.1	-63.8	-19.6	0	0	0	110.9	G248 P250 L253 Q279 K280 Q285 D286 F287	G248-N283 WeakPolarHBondContact O-CB 3.43Å; G248-N283 PolarHBondContact O-ND2 3.03Å; P250-N283 WeakPolarHBondContact CD-ND2 3.46Å; L253-N283 HydrophobicContact CD1-CB 3.85Å; L253-N283 WeakPolarHBondContact CD1-O 3.31Å; Q279-N283 WeakPolarHBondContact O-CB 3.4Å; Q279-N283 PolarHBondContact O-N 2.84Å; Q279-N283 PolarHBondContact O-ND2 3.19Å; Q279-N283 VanDerWaalsContact O-ND2 3.15Å; Q279-N283 PolarHBondContact O-OD1 3.36Å; K280-N283 PolarHBondContact O-N 3.34Å; N283-Q285 VanDerWaalsContact C-N 3.31Å; N283-Q285 PolarHBondContact O-N 3.21Å; N283-D286 PolarHBondContact O-N 3.03Å; N283-F287 WeakPolarHBondContact O-CD2 3.27Å; N283-F287 PolarHBondContact O-N 2.77Å; N283-F287 VanDerWaalsContact O-N 3.15Å
284	A	97.6	Very high	96.1	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.017	16%	0.155	C	C	.	.	H	α-helix	trans	-58.4	-44.3	176.2	0	0	0	0	0	111.9	L268 K280 V281 T282 F287 G288 A289 V292 I351	L268-A284 HydrophobicContact CD1-CB 3.69Å; K280-A284 WeakPolarHBondContact O-CB 3.21Å; K280-A284 PolarHBondContact O-N 2.81Å; V281-A284 PolarHBondContact O-N 3.18Å; T282-A284 VanDerWaalsContact C-N 3.32Å; T282-A284 PolarHBondContact O-N 2.96Å; A284-F287 CarbonylContact O-C 3.56Å; A284-F287 PolarHBondContact O-N 2.89Å; A284-G288 PolarHBondContact O-N 3.3Å; A284-A289 HydrophobicContact CB-CB 4.03Å; A284-A289 VanDerWaalsContact O-CB 3.23Å; A284-A289 WeakPolarHBondContact O-CB 3.4Å; A284-A289 PolarHBondContact O-N 3.19Å; A284-V292 HydrophobicContact CB-CG2 3.43Å; A284-V292 VanDerWaalsContact CB-CG2 3.43Å; A284-I351 HydrophobicContact CB-CD1 4.08Å
285	Q	96.7	Very high	96.4	Very high	54 Å²	54	22.8 Å²	22.8	25%	0.252	13%	0.125	S	C	.	.	H	α-helix	trans	-62.3	-45.4	176.7	-179.1	178.9	-64.9	0	0	112.3	V281 T282 N283 F287 G288 S350 I351	V281-Q285 WeakPolarHBondContact O-CB 3.27Å; V281-Q285 PolarHBondContact O-N 3.29Å; T282-Q285 WeakPolarHBondContact O-CB 3.45Å; T282-Q285 PolarHBondContact O-N 3.24Å; T282-Q285 VanDerWaalsContact O-N 3.17Å; N283-Q285 VanDerWaalsContact C-N 3.31Å; N283-Q285 PolarHBondContact O-N 3.21Å; Q285-F287 PolarHBondContact O-N 3.14Å; Q285-G288 WeakPolarHBondContact O-CA 3.37Å; Q285-G288 PolarHBondContact O-N 2.97Å; Q285-S350 PolarHBondContact OE1-OG 2.87Å; Q285-I351 HydrophobicContact CB-CD1 3.87Å; Q285-I351 HydrophobicContact CB-CG1 4.18Å; Q285-I351 HydrophobicContact CB-CG2 4.48Å; Q285-I351 HydrophobicContact CG-CG2 4.29Å
286	D	94.1	Very high	96.5	Very high	116 Å²	116	21.3 Å²	21.3	62%	0.62	12%	0.118	S	C	*	.	H	α-helix	trans	-61.7	-27.1	178.5	-70.6	-17.2	0	0	0	112.3	T282 N283 G288	T282-D286 PolarHBondContact O-N 3.16Å; N283-D286 PolarHBondContact O-N 3.03Å; D286-G288 VanDerWaalsContact C-N 3.35Å
287	F	95.4	Very high	96.5	Very high	33 Å²	33	20.4 Å²	20.4	15%	0.145	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.9	174.5	-80.3	-105.4	0	0	0	113.8	L253 Q254 P263 N283 A284 Q285	L253-F287 HydrophobicContact CB-CD1 3.65Å; L253-F287 HydrophobicContact CB-CD2 4.07Å; L253-F287 HydrophobicContact CB-CE1 3.64Å; L253-F287 HydrophobicContact CB-CE2 4.05Å; L253-F287 HydrophobicContact CB-CG 3.86Å; L253-F287 HydrophobicContact CB-CZ 3.84Å; L253-F287 HydrophobicContact CD1-CB 4.12Å; L253-F287 HydrophobicContact CD1-CD1 4.46Å; L253-F287 HydrophobicContact CD1-CD2 3.56Å; L253-F287 HydrophobicContact CD1-CE2 4.01Å; L253-F287 HydrophobicContact CD1-CG 3.8Å; L253-F287 HydrophobicContact CG-CD2 4.47Å; L253-F287 HydrophobicContact CG-CG 4.43Å; Q254-F287 HydrophobicContact CG-CE1 3.93Å; Q254-F287 HydrophobicContact CG-CZ 3.77Å; P263-F287 HydrophobicContact CB-CB 4.25Å; P263-F287 HydrophobicContact CG-CB 3.74Å; P263-F287 HydrophobicContact CG-CD1 4Å; P263-F287 HydrophobicContact CG-CG 4.32Å; N283-F287 WeakPolarHBondContact O-CD2 3.27Å; N283-F287 PolarHBondContact O-N 2.77Å; N283-F287 VanDerWaalsContact O-N 3.15Å; A284-F287 CarbonylContact O-C 3.56Å; A284-F287 PolarHBondContact O-N 2.89Å; Q285-F287 PolarHBondContact O-N 3.14Å
288	G	96.1	Very high	96.1	Very high	36 Å²	36	21.5 Å²	21.5	37%	0.371	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	14.4	173.5	0	0	0	0	0	115.1	A264 G265 A284 Q285 D286	A264-G288 CarbonylContact C-O 3.57Å; A264-G288 WeakPolarHBondContact CA-O 3.49Å; G265-G288 PolarHBondContact N-O 3.3Å; A284-G288 PolarHBondContact O-N 3.3Å; Q285-G288 WeakPolarHBondContact O-CA 3.37Å; Q285-G288 PolarHBondContact O-N 2.97Å; D286-G288 VanDerWaalsContact C-N 3.35Å
289	A	97.5	Very high	95.7	Very high	5 Å²	5	23.5 Å²	23.5	4%	0.041	14%	0.137	C	C	.	.			trans	-63.3	154.5	173.4	0	0	0	0	0	111.2	P263 L268 A284	P263-A289 WeakPolarHBondContact O-CA 3.36Å; L268-A289 HydrophobicContact CD1-CB 3.88Å; L268-A289 HydrophobicContact CG-CB 3.82Å; A284-A289 HydrophobicContact CB-CB 4.03Å; A284-A289 VanDerWaalsContact O-CB 3.23Å; A284-A289 WeakPolarHBondContact O-CB 3.4Å; A284-A289 PolarHBondContact O-N 3.19Å
290	Q	96.9	Very high	95.3	Very high	73 Å²	73	23.1 Å²	23.1	34%	0.341	14%	0.137	S	C	.	.	S	Bend	trans	-94.6	-16.8	179	-67.7	-169.6	10.7	0	0	113.8	V238 T239 G265 R266 L267 P352	V238-Q290 HydrophobicContact CB-CB 4.32Å; T239-Q290 PolarHBondContact O-OE1 3.21Å; T239-Q290 VanDerWaalsContact O-OE1 3.11Å; G265-Q290 PolarHBondContact O-NE2 2.73Å; R266-Q290 PolarHBondContact O-N 2.78Å; L267-Q290 HydrophobicContact CD2-CB 4.48Å; Q290-P352 WeakPolarHBondContact O-CD 3.46Å
291	G	97.8	Very high	94.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	165.6	-179.2	0	0	0	0	0	112.2	L267 L268 P352	L267-G291 WeakPolarHBondContact CA-O 3.48Å; L268-G291 PolarHBondContact N-O 2.92Å; G291-P352 CarbonylContact C-O 3.17Å; G291-P352 WeakPolarHBondContact CA-O 3.41Å
292	V	98.4	Very high	93.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.6	-171.5	-173.3	0	0	0	0	111.3	L268 V270 V281 A284 I294 I351 P352 A353 Q354	L268-V292 CarbonylContact O-C 3.56Å; L268-V292 WeakPolarHBondContact O-CA 3.45Å; V270-V292 HydrophobicContact CG1-CG1 4.47Å; V270-V292 HydrophobicContact CG2-CG1 3.53Å; V281-V292 HydrophobicContact CG2-CB 4.3Å; V281-V292 HydrophobicContact CG2-CG2 4.36Å; A284-V292 HydrophobicContact CB-CG2 3.43Å; A284-V292 VanDerWaalsContact CB-CG2 3.43Å; V292-I294 HydrophobicContact CG1-CD1 4.4Å; V292-I294 HydrophobicContact CG1-CG1 3.81Å; V292-I351 HydrophobicContact CG2-CD1 3.89Å; V292-P352 PolarHBondContact N-O 3.46Å; V292-A353 HydrophobicContact CB-CB 4.46Å; V292-A353 CarbonylContact O-C 3.56Å; V292-A353 VanDerWaalsContact O-CA 3.27Å; V292-A353 WeakPolarHBondContact O-CA 3.42Å; V292-Q354 PolarHBondContact O-N 2.89Å
293	L	98.3	Very high	92.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.7	168.6	-60.6	177.7	0	0	0	108.7	L208 L242 L268 L269 V270 Q354 I356 L364 L394 L396	L208-L293 HydrophobicContact CD1-CD1 4.23Å; L208-L293 HydrophobicContact CD1-CD2 4.41Å; L208-L293 HydrophobicContact CD2-CD1 4.09Å; L242-L293 HydrophobicContact CD1-CD1 4.29Å; L268-L293 PolarHBondContact O-N 3.36Å; L269-L293 WeakPolarHBondContact CA-O 3.37Å; L269-L293 HydrophobicContact CD1-CB 3.98Å; V270-L293 PolarHBondContact N-O 2.71Å; L293-Q354 WeakPolarHBondContact CA-O 3.46Å; L293-Q354 HydrophobicContact CD2-CB 4.07Å; L293-I356 HydrophobicContact CB-CD1 4.07Å; L293-I356 HydrophobicContact CB-CG1 4.47Å; L293-I356 HydrophobicContact CD1-CD1 4.41Å; L293-I356 HydrophobicContact CD2-CG2 4.13Å; L293-L364 HydrophobicContact CD1-CD1 3.7Å; L293-L394 HydrophobicContact CD1-CD1 4.34Å; L293-L396 HydrophobicContact CD2-CD1 4.23Å; L293-L396 HydrophobicContact CD2-CD2 4.12Å
294	I	98.3	Very high	91.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.9	-175.2	-50.3	176.7	0	0	0	108.9	V270 V272 F277 K280 V281 V292 Q354 P355 I356	V270-I294 HydrophobicContact CG2-CB 4.3Å; V270-I294 HydrophobicContact CG2-CG1 3.74Å; V270-I294 HydrophobicContact CG2-CG2 4.34Å; V270-I294 WeakPolarHBondContact O-CA 3.26Å; V272-I294 HydrophobicContact CG2-CG2 3.79Å; F277-I294 HydrophobicContact CB-CD1 4.2Å; F277-I294 HydrophobicContact CD1-CD1 4.47Å; F277-I294 HydrophobicContact CD1-CG2 4.41Å; F277-I294 HydrophobicContact CD2-CD1 3.41Å; F277-I294 VanDerWaalsContact CD2-CD1 3.41Å; F277-I294 HydrophobicContact CD2-CG2 4.37Å; F277-I294 HydrophobicContact CE1-CG2 3.92Å; F277-I294 HydrophobicContact CE2-CB 4.13Å; F277-I294 HydrophobicContact CE2-CD1 3.85Å; F277-I294 HydrophobicContact CE2-CG2 3.86Å; F277-I294 HydrophobicContact CG-CD1 3.77Å; F277-I294 HydrophobicContact CZ-CB 4.36Å; F277-I294 HydrophobicContact CZ-CG2 3.62Å; K280-I294 HydrophobicContact CD-CG2 4.49Å; V281-I294 HydrophobicContact CG2-CD1 4.36Å; V292-I294 HydrophobicContact CG1-CD1 4.4Å; V292-I294 HydrophobicContact CG1-CG1 3.81Å; I294-Q354 PolarHBondContact N-O 2.96Å; I294-Q354 VanDerWaalsContact N-O 3.12Å; I294-P355 CarbonylContact O-C 3.53Å; I294-P355 VanDerWaalsContact O-CA 3.29Å; I294-P355 WeakPolarHBondContact O-CA 3.22Å; I294-I356 PolarHBondContact O-N 3.4Å
295	Y	96.8	Very high	90.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	147.2	-176.1	82.2	-82.8	0	0	0	113.1	Y244 L269 V270 R271 V272 E297 A361 L381	Y244-Y295 HydrophobicContact CE2-CE1 4.33Å; L269-Y295 HydrophobicContact CD1-CD1 3.5Å; L269-Y295 HydrophobicContact CD1-CE1 4.06Å; L269-Y295 HydrophobicContact CD1-CG 4.34Å; L269-Y295 HydrophobicContact CD2-CD1 4.41Å; L269-Y295 HydrophobicContact CD2-CE1 4.19Å; L269-Y295 HydrophobicContact CG-CD1 3.82Å; L269-Y295 HydrophobicContact CG-CE1 3.83Å; V270-Y295 VanDerWaalsContact O-CD1 3.25Å; V270-Y295 WeakPolarHBondContact O-CD1 3.47Å; V270-Y295 PolarHBondContact O-N 3.05Å; R271-Y295 CarbonylContact C-O 3.57Å; R271-Y295 WeakPolarHBondContact CA-O 3.42Å; R271-Y295 HydrophobicContact CG-CE1 3.75Å; R271-Y295 HydrophobicContact CG-CE2 4.43Å; R271-Y295 WeakPolarHBondContact CG-OH 3.47Å; R271-Y295 PolarHBondContact NE-OH 3.1Å; V272-Y295 WeakPolarHBondContact CG2-O 3.46Å; V272-Y295 PolarHBondContact N-O 3.34Å; Y295-E297 HydrophobicContact CE2-CB 3.76Å; Y295-E297 WeakPolarHBondContact CE2-OE2 3.32Å; Y295-E297 PolarHBondContact O-N 3.1Å; Y295-E297 PolarHBondContact OH-OE2 2.99Å; Y295-A361 HydrophobicContact CD1-CB 3.95Å; Y295-A361 HydrophobicContact CD2-CB 3.37Å; Y295-A361 HydrophobicContact CE1-CB 4.46Å; Y295-A361 HydrophobicContact CE2-CB 3.96Å; Y295-A361 HydrophobicContact CG-CB 3.37Å; Y295-L381 HydrophobicContact CD2-CD1 3.93Å; Y295-L381 HydrophobicContact CE2-CD1 3.37Å
296	P	94.8	Very high	88.9	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.019	24%	0.24	C	C	.	.			trans	-75.3	117.7	170.4	29.1	-30.1	0	0	0	110	P298 F301 L310 V316 I356	P296-P298 WeakPolarHBondContact O-CD 3.42Å; P296-F301 HydrophobicContact CB-CE2 3.79Å; P296-F301 HydrophobicContact CB-CZ 4.14Å; P296-L310 HydrophobicContact CB-CD2 3.86Å; P296-L310 HydrophobicContact CG-CD2 3.88Å; P296-V316 HydrophobicContact CB-CG2 3.87Å; P296-V316 HydrophobicContact CG-CG2 4.09Å; P296-I356 VanDerWaalsContact CD-O 3.25Å; P296-I356 WeakPolarHBondContact CD-O 3.31Å
297	E	93	Very high	88.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.			trans	-83.5	121	173.8	172.9	66	-125	0	0	109.4	R271 Y295 A299 D300 F301 G379 S380 Y386	R271-E297 HydrophobicContact CG-CB 3.97Å; R271-E297 IonicContact CZ-OE2 3.87Å; R271-E297 IonicContact NE-OE2 3.57Å; R271-E297 IonicContact NH2-OE2 3.64Å; Y295-E297 HydrophobicContact CE2-CB 3.76Å; Y295-E297 WeakPolarHBondContact CE2-OE2 3.32Å; Y295-E297 PolarHBondContact O-N 3.1Å; Y295-E297 PolarHBondContact OH-OE2 2.99Å; E297-A299 HydrophobicContact CG-CB 3.87Å; E297-A299 PolarHBondContact O-N 3.2Å; E297-A299 VanDerWaalsContact O-N 3.17Å; E297-D300 WeakPolarHBondContact O-CB 3.49Å; E297-D300 PolarHBondContact O-N 3.38Å; E297-F301 VanDerWaalsContact O-CD2 3.28Å; E297-F301 WeakPolarHBondContact O-CD2 3.45Å; E297-F301 WeakPolarHBondContact O-CE2 3.41Å; E297-G379 WeakPolarHBondContact OE1-CA 3.48Å; E297-S380 PolarHBondContact OE1-N 3.12Å; E297-Y386 PolarHBondContact OE1-OH 3.01Å; E297-Y386 VanDerWaalsContact OE1-OH 3.08Å; E297-Y386 WeakPolarHBondContact OE2-CE2 3.22Å; E297-Y386 PolarHBondContact OE2-OH 3.32Å
298	P	89.8	Confident	87.5	Confident	41 Å²	41	40.3 Å²	40.3	27%	0.266	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-55.8	-35.6	-179.8	-30.2	39	0	0	0	113.2	P296 D300 F301 Q303 A358 L381	P296-P298 WeakPolarHBondContact O-CD 3.42Å; P298-D300 PolarHBondContact O-N 3.45Å; P298-D300 VanDerWaalsContact O-N 3.11Å; P298-F301 PolarHBondContact O-N 2.92Å; P298-Q303 PolarHBondContact O-NE2 3.28Å; P298-A358 HydrophobicContact CG-CB 4.2Å; P298-L381 HydrophobicContact CG-CD2 3.43Å; P298-L381 VanDerWaalsContact CG-CD2 3.43Å; P298-L381 HydrophobicContact CG-CG 4.19Å
299	A	87.4	Confident	87	Confident	42 Å²	42	41.8 Å²	41.8	35%	0.347	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-58.2	-20.9	177.3	0	0	0	0	0	114.3	E297 F301 S380	E297-A299 HydrophobicContact CG-CB 3.87Å; E297-A299 PolarHBondContact O-N 3.2Å; E297-A299 VanDerWaalsContact O-N 3.17Å; A299-F301 VanDerWaalsContact C-N 3.3Å; A299-S380 PolarHBondContact N-OG 3.3Å; A299-S380 VanDerWaalsContact N-OG 3.16Å
300	D	86.4	Confident	86.5	Confident	43 Å²	43	42.6 Å²	42.6	23%	0.23	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-83.7	-8.9	178.8	-60.4	-7.9	0	0	0	112.2	Y247 R271 E297 P298	Y247-D300 VanDerWaalsContact CE1-OD2 3.3Å; Y247-D300 WeakPolarHBondContact CE1-OD2 3.28Å; Y247-D300 PolarHBondContact OH-OD1 3.28Å; Y247-D300 PolarHBondContact OH-OD2 3.25Å; R271-D300 IonicContact NH1-OD1 3.54Å; E297-D300 WeakPolarHBondContact O-CB 3.49Å; E297-D300 PolarHBondContact O-N 3.38Å; P298-D300 PolarHBondContact O-N 3.45Å; P298-D300 VanDerWaalsContact O-N 3.11Å
301	F	83.4	Confident	86.1	Confident	22 Å²	22	41.3 Å²	41.3	10%	0.096	23%	0.233	C	C	.	.	S	Bend	trans	-113.1	178.6	177.2	-53.7	-77.4	0	0	0	111.5	P296 E297 P298 A299 Q303 P592	P296-F301 HydrophobicContact CB-CE2 3.79Å; P296-F301 HydrophobicContact CB-CZ 4.14Å; E297-F301 VanDerWaalsContact O-CD2 3.28Å; E297-F301 WeakPolarHBondContact O-CD2 3.45Å; E297-F301 WeakPolarHBondContact O-CE2 3.41Å; P298-F301 PolarHBondContact O-N 2.92Å; A299-F301 VanDerWaalsContact C-N 3.3Å; F301-Q303 PolarHBondContact O-N 2.9Å; F301-Q303 PolarHBondContact O-NE2 3.17Å; F301-P592 HydrophobicContact CD1-CB 3.74Å; F301-P592 HydrophobicContact CE1-CB 4.25Å; F301-P592 HydrophobicContact CG-CB 4.26Å
302	S	74.5	Confident	85.7	Confident	16 Å²	16	43.7 Å²	43.7	11%	0.112	25%	0.25	C	C	.	.			trans	-55.7	120.5	176.7	-170.5	0	0	0	0	114	D304 K307 Q589	S302-D304 VanDerWaalsContact C-N 3.34Å; S302-D304 WeakPolarHBondContact OG-CB 3.49Å; S302-D304 PolarHBondContact OG-N 3.23Å; S302-D304 VanDerWaalsContact OG-N 3.13Å; S302-K307 WeakPolarHBondContact OG-CB 3.14Å; S302-Q589 VanDerWaalsContact N-CD 3.35Å; S302-Q589 PolarHBondContact OG-OE1 3.4Å
303	Q	71.1	Confident	85.3	Confident	107 Å²	107	48.7 Å²	48.7	50%	0.5	27%	0.273	S	S	.	.			trans	-85.9	-6.7	167.3	-55.3	-49.5	-68.6	0	0	112.6	P298 F301 P305	P298-Q303 PolarHBondContact O-NE2 3.28Å; F301-Q303 PolarHBondContact O-N 2.9Å; F301-Q303 PolarHBondContact O-NE2 3.17Å; Q303-P305 VanDerWaalsContact O-CD 3.25Å; Q303-P305 WeakPolarHBondContact O-CD 3.37Å
304	D	74.1	Confident	85	Confident	71 Å²	71	50.1 Å²	50.1	38%	0.38	28%	0.28	S	S	.	.			trans	-67.6	116.5	174.9	-176.7	-9	0	0	0	109.6	S302 H306 K307	S302-D304 VanDerWaalsContact C-N 3.34Å; S302-D304 WeakPolarHBondContact OG-CB 3.49Å; S302-D304 PolarHBondContact OG-N 3.23Å; S302-D304 VanDerWaalsContact OG-N 3.13Å; D304-H306 PolarHBondContact O-N 2.86Å; D304-H306 WeakPolarHBondContact OD1-CB 3.23Å; D304-H306 IonicContact OD1-CD2 2.97Å; D304-H306 PolarHBondContact OD1-CD2 3.21Å; D304-H306 IonicContact OD1-CG 3.08Å; D304-H306 PolarHBondContact OD1-N 2.91Å; D304-K307 HydrophobicContact CB-CB 4.24Å; D304-K307 HydrophobicContact CB-CG 4.13Å; D304-K307 PolarHBondContact O-N 3.34Å
305	P	70.1	Confident	84.8	Confident	121 Å²	121	50.2 Å²	50.2	79%	0.786	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.4	179.3	-21.2	33.2	0	0	0	114	Q303	Q303-P305 VanDerWaalsContact O-CD 3.25Å; Q303-P305 WeakPolarHBondContact O-CD 3.37Å
306	H	73.5	Confident	84.7	Confident	170 Å²	170	50.7 Å²	50.7	79%	0.787	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-18.2	178.1	-60.5	-62	0	0	0	113.2	D304	D304-H306 PolarHBondContact O-N 2.86Å; D304-H306 WeakPolarHBondContact OD1-CB 3.23Å; D304-H306 IonicContact OD1-CD2 2.97Å; D304-H306 PolarHBondContact OD1-CD2 3.21Å; D304-H306 IonicContact OD1-CG 3.08Å; D304-H306 PolarHBondContact OD1-N 2.91Å
307	K	78.3	Confident	84.8	Confident	72 Å²	72	50.7 Å²	50.7	31%	0.313	28%	0.283	S	S	.	.	S	Bend	trans	-87.7	136.8	173.3	-72	-164.9	177.4	-167.7	0	109.7	S302 D304 S309 E586	S302-K307 WeakPolarHBondContact OG-CB 3.14Å; D304-K307 HydrophobicContact CB-CB 4.24Å; D304-K307 HydrophobicContact CB-CG 4.13Å; D304-K307 PolarHBondContact O-N 3.34Å; K307-S309 PolarHBondContact O-N 2.92Å; K307-E586 IonicContact NZ-OE2 2.86Å; K307-E586 PolarHBondContact NZ-OE2 3.11Å
308	P	81.7	Confident	84.9	Confident	23 Å²	23	51.1 Å²	51.1	15%	0.149	29%	0.288	C	S	.	.			trans	-57.2	135.4	172.1	-22.1	33.3	0	0	0	110.9	F593 K606 V607	P308-F593 HydrophobicContact CB-CE2 3.77Å; P308-F593 HydrophobicContact CB-CZ 3.54Å; P308-K606 HydrophobicContact CG-CD 3.84Å; P308-K606 HydrophobicContact CG-CG 3.96Å; P308-V607 HydrophobicContact CB-CG2 4.03Å; P308-V607 HydrophobicContact CG-CG2 3.87Å
309	S	84.6	Confident	85.2	Confident	68 Å²	68	50.4 Å²	50.4	48%	0.476	28%	0.281	S	S	.	.			trans	-126.8	160.5	175.8	63.3	0	0	0	0	110.3	K307 F593	K307-S309 PolarHBondContact O-N 2.92Å; S309-F593 WeakPolarHBondContact O-CE1 3.21Å
310	L	87.3	Confident	85.6	Confident	21 Å²	21	48.4 Å²	48.4	11%	0.11	26%	0.264	C	S	.	.			trans	-67.2	134.6	178.5	-174.5	65.7	0	0	0	110.3	P296 Q314 V316 P592 F593 T596	P296-L310 HydrophobicContact CB-CD2 3.86Å; P296-L310 HydrophobicContact CG-CD2 3.88Å; L310-Q314 HydrophobicContact CD1-CB 3.87Å; L310-Q314 VanDerWaalsContact CD1-OE1 3.26Å; L310-Q314 HydrophobicContact CG-CB 4.17Å; L310-V316 HydrophobicContact CD2-CG2 4.1Å; L310-P592 HydrophobicContact CB-CB 4.23Å; L310-F593 HydrophobicContact CD1-CD1 4.18Å; L310-T596 HydrophobicContact CD1-CG2 3.77Å; L310-T596 HydrophobicContact CD2-CG2 4.35Å
311	S	88.3	Confident	86	Confident	46 Å²	46	46.5 Å²	46.5	32%	0.322	25%	0.254	S	S	.	.			trans	-56.6	137.9	172.4	177.7	0	0	0	0	111.6	Q313 Q314	S311-Q313 PolarHBondContact O-N 3.47Å; S311-Q313 VanDerWaalsContact O-N 3.08Å; S311-Q313 PolarHBondContact OG-N 3.01Å; S311-Q314 PolarHBondContact O-N 2.84Å
312	S	88.9	Confident	86.4	Confident	50 Å²	50	47.2 Å²	47.2	35%	0.35	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.5	-179.9	60.4	0	0	0	0	113.7	S357 A358 D359	S312-S357 VanDerWaalsContact O-CB 3.32Å; S312-S357 WeakPolarHBondContact O-CB 3.34Å; S312-A358 WeakPolarHBondContact O-CB 3.34Å; S312-A358 PolarHBondContact O-N 2.97Å; S312-A358 VanDerWaalsContact O-N 3.11Å; S312-D359 VanDerWaalsContact CB-CG 3.49Å; S312-D359 WeakPolarHBondContact CB-OD1 3.19Å; S312-D359 WeakPolarHBondContact CB-OD2 2.87Å; S312-D359 PolarHBondContact O-N 3.41Å; S312-D359 VanDerWaalsContact OG-CG 3.24Å; S312-D359 PolarHBondContact OG-OD1 2.79Å; S312-D359 PolarHBondContact OG-OD2 2.92Å
313	Q	90.3	Very high	87.1	Confident	106 Å²	106	46.7 Å²	46.7	50%	0.495	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-6.5	178.9	-63	-176.7	-19.2	0	0	113.5	E224 S311 S357 D359	E224-Q313 HydrophobicContact CB-CB 4.37Å; E224-Q313 WeakPolarHBondContact OE2-CA 3.46Å; S311-Q313 PolarHBondContact O-N 3.47Å; S311-Q313 VanDerWaalsContact O-N 3.08Å; S311-Q313 PolarHBondContact OG-N 3.01Å; Q313-S357 VanDerWaalsContact C-CB 3.42Å; Q313-S357 WeakPolarHBondContact O-CB 3.19Å; Q313-D359 VanDerWaalsContact CG-OD2 3.28Å; Q313-D359 WeakPolarHBondContact CG-OD2 3.08Å
314	Q	91.6	Very high	88	Confident	29 Å²	29	42.4 Å²	42.4	14%	0.136	24%	0.237	C	C	.	.			trans	-93	141	179.3	-74.3	-168.9	0.1	0	0	112.4	L310 S311 S357 T596 E598	L310-Q314 HydrophobicContact CD1-CB 3.87Å; L310-Q314 VanDerWaalsContact CD1-OE1 3.26Å; L310-Q314 HydrophobicContact CG-CB 4.17Å; S311-Q314 PolarHBondContact O-N 2.84Å; Q314-S357 WeakPolarHBondContact O-CA 3.31Å; Q314-T596 PolarHBondContact OE1-OG1 2.92Å; Q314-E598 VanDerWaalsContact NE2-CG 3.31Å; Q314-E598 PolarHBondContact NE2-OE1 2.93Å; Q314-E598 PolarHBondContact OE1-OE1 3.35Å
315	A	94.1	Very high	88.8	Confident	3 Å²	3	39 Å²	39	3%	0.025	22%	0.219	C	C	.	.			trans	-102.3	163.1	169.5	0	0	0	0	0	109.9	V228 P355	V228-A315 HydrophobicContact CB-CB 4.13Å; V228-A315 HydrophobicContact CG1-CB 4Å; V228-A315 HydrophobicContact CG2-CB 4.2Å; A315-P355 HydrophobicContact CB-CB 4.28Å
316	V	95.3	Very high	89.8	Confident	10 Å²	10	33.4 Å²	33.4	6%	0.061	18%	0.182	C	C	.	.			trans	-105.9	127.9	-179.2	-179.6	0	0	0	0	109.4	V272 F277 P296 L310 P355 H595 T596	V272-V316 HydrophobicContact CG1-CG1 4.42Å; V272-V316 HydrophobicContact CG2-CB 4.06Å; V272-V316 HydrophobicContact CG2-CG1 4.49Å; V272-V316 HydrophobicContact CG2-CG2 4.24Å; F277-V316 HydrophobicContact CZ-CB 4.38Å; F277-V316 HydrophobicContact CZ-CG1 4.28Å; P296-V316 HydrophobicContact CB-CG2 3.87Å; P296-V316 HydrophobicContact CG-CG2 4.09Å; L310-V316 HydrophobicContact CD2-CG2 4.1Å; V316-P355 VanDerWaalsContact O-CB 3.28Å; V316-P355 WeakPolarHBondContact O-CB 3.5Å; V316-H595 HydrophobicContact CG1-CB 3.96Å; V316-T596 HydrophobicContact CG2-CG2 4.14Å
317	Y	96.1	Very high	90.6	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.012	15%	0.145	C	C	.	.			trans	-73.4	144.1	175.5	172.6	-88.4	0	0	0	111.3	Y229 P231 W433 D477 H595	Y229-Y317 HydrophobicContact CD1-CD2 4.5Å; Y229-Y317 HydrophobicContact CD1-CE2 4.34Å; Y229-Y317 HydrophobicContact CE1-CD2 4.33Å; Y229-Y317 AromaticContact CE1-CE2 3.82Å; Y229-Y317 HydrophobicContact CE1-CE2 3.82Å; Y229-Y317 HydrophobicContact CE2-CE2 4.44Å; Y229-Y317 AromaticContact CZ-CE2 3.87Å; Y229-Y317 WeakPolarHBondContact O-CD2 3.25Å; P231-Y317 HydrophobicContact CG-CE1 4.35Å; P231-Y317 HydrophobicContact CG-CE2 3.53Å; P231-Y317 WeakPolarHBondContact CG-OH 3.29Å; Y317-W433 HydrophobicContact CD1-CB 3.86Å; Y317-W433 HydrophobicContact CD1-CG 4.18Å; Y317-W433 HydrophobicContact CD2-CB 4.02Å; Y317-W433 AromaticContact CD2-CD1 3.37Å; Y317-W433 AromaticContact CD2-CD2 3.89Å; Y317-W433 HydrophobicContact CD2-CD2 3.89Å; Y317-W433 AromaticContact CD2-CG 3.47Å; Y317-W433 HydrophobicContact CD2-CG 3.47Å; Y317-W433 VanDerWaalsContact CD2-CG 3.47Å; Y317-W433 AromaticContact CD2-NE1 3.74Å; Y317-W433 HydrophobicContact CE1-CB 3.99Å; Y317-W433 HydrophobicContact CE1-CG 4.48Å; Y317-W433 HydrophobicContact CE2-CB 4.13Å; Y317-W433 AromaticContact CE2-CD1 3.41Å; Y317-W433 VanDerWaalsContact CE2-CD1 3.41Å; Y317-W433 AromaticContact CE2-CG 3.8Å; Y317-W433 HydrophobicContact CE2-CG 3.8Å; Y317-W433 HydrophobicContact CG-CB 3.85Å; Y317-W433 AromaticContact CG-CD2 3.96Å; Y317-W433 HydrophobicContact CG-CD2 3.96Å; Y317-W433 HydrophobicContact CG-CE3 4.42Å; Y317-W433 AromaticContact CG-CG 3.66Å; Y317-W433 HydrophobicContact CG-CG 3.66Å; Y317-D477 HydrophobicContact CE1-CB 3.85Å; Y317-H595 WeakPolarHBondContact CB-O 3.33Å; Y317-H595 PolarHBondContact N-O 2.85Å; Y317-H595 VanDerWaalsContact O-CB 3.24Å; Y317-H595 WeakPolarHBondContact O-CB 3.16Å
318	G	95.5	Very high	91	Very high	9 Å²	9	23.5 Å²	23.5	9%	0.093	14%	0.137	C	C	.	.			trans	-175.5	134.4	173.5	0	0	0	0	0	113.2	C230 F277	C230-G318 WeakPolarHBondContact CA-O 3.4Å; C230-G318 PolarHBondContact SG-O 3.08Å; F277-G318 WeakPolarHBondContact CD2-O 3.24Å
319	H	96.4	Very high	91.2	Very high	26 Å²	26	24.2 Å²	24.2	12%	0.12	14%	0.141	C	C	.	.			trans	-72.5	150.7	177.5	77.8	97.3	0	0	0	112.2	P231 Y232 F277 A278 H321	P231-H319 HydrophobicContact CB-CB 4.01Å; P231-H319 HydrophobicContact CG-CB 4.1Å; Y232-H319 HydrophobicContact CD2-CB 4.21Å; Y232-H319 HydrophobicContact CE2-CB 4.49Å; F277-H319 VanDerWaalsContact CB-O 3.29Å; F277-H319 WeakPolarHBondContact CB-O 3.27Å; A278-H319 PolarHBondContact N-O 3.21Å; H319-H321 PolarHBondContact CE1-O 3.22Å; H319-H321 PolarHBondContact ND1-O 3.48Å
320	V	96.7	Very high	91.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.127	C	C	.	.			trans	-114.4	11.3	-177.1	-65.6	0	0	0	0	113.8	C230 P231 S233 F277 V281 L322 P349 A353	C230-V320 HydrophobicContact CB-CG1 3.69Å; C230-V320 HydrophobicContact CB-CG2 4.08Å; P231-V320 VanDerWaalsContact O-CG2 3.24Å; P231-V320 WeakPolarHBondContact O-CG2 3.42Å; P231-V320 PolarHBondContact O-N 2.93Å; S233-V320 VanDerWaalsContact N-CG2 3.33Å; F277-V320 HydrophobicContact CB-CG1 4.02Å; V281-V320 HydrophobicContact CB-CB 4.4Å; V281-V320 HydrophobicContact CB-CG1 4.44Å; V281-V320 HydrophobicContact CG2-CB 4.08Å; V281-V320 HydrophobicContact CG2-CG1 3.61Å; V320-L322 PolarHBondContact O-N 3.32Å; V320-P349 HydrophobicContact CB-CG 4.31Å; V320-P349 HydrophobicContact CG2-CG 3.75Å; V320-A353 HydrophobicContact CG1-CB 4.06Å
321	H	93.8	Very high	90.7	Very high	3 Å²	3	22 Å²	22	1%	0.014	13%	0.128	C	C	.	.			trans	-73.2	118.6	171.2	172	-141.6	0	0	0	111	Y232 A278 H319 G323 S345	Y232-H321 HydrophobicContact CD2-CB 3.64Å; Y232-H321 HydrophobicContact CE2-CB 4.36Å; Y232-H321 HydrophobicContact CG-CB 4.03Å; A278-H321 VanDerWaalsContact CB-C 3.44Å; A278-H321 WeakPolarHBondContact CB-O 3.41Å; H319-H321 PolarHBondContact CE1-O 3.22Å; H319-H321 PolarHBondContact ND1-O 3.48Å; H321-G323 PolarHBondContact O-N 3.38Å; H321-S345 PolarHBondContact NE2-OG 3.49Å
322	L	91.4	Very high	90.4	Very high	37 Å²	37	26.5 Å²	26.5	19%	0.194	14%	0.142	C	C	.	.	S	Bend	trans	-80.1	60.6	175.5	-162.8	83	0	0	0	111.1	A278 Q279 T282 V320 G347 M564	A278-L322 HydrophobicContact CB-CB 4.33Å; A278-L322 HydrophobicContact CB-CD1 4.04Å; Q279-L322 HydrophobicContact CG-CD1 3.94Å; T282-L322 HydrophobicContact CG2-CD2 3.9Å; V320-L322 PolarHBondContact O-N 3.32Å; L322-G347 WeakPolarHBondContact CB-O 3.45Å; L322-G347 PolarHBondContact N-O 3.25Å; L322-M564 HydrophobicContact CD1-CE 4.05Å; L322-M564 HydrophobicContact CD1-SD 4.42Å
323	G	89.5	Confident	90.1	Very high	6 Å²	6	24.9 Å²	24.9	6%	0.062	13%	0.13	C	C	.	.	S	Bend	trans	-168.5	-161.4	-176.8	0	0	0	0	0	110.7	H321	H321-G323 PolarHBondContact O-N 3.38Å
324	T	90.9	Very high	89.6	Confident	16 Å²	16	20 Å²	20	10%	0.098	11%	0.108	C	C	.	.	S	Bend	trans	-140.5	155.3	173.5	-171.8	0	0	0	0	107	G479 T484 S570 F726	T324-G479 CarbonylContact C-O 3.57Å; T324-G479 WeakPolarHBondContact CA-O 3.45Å; T324-G479 PolarHBondContact OG1-O 3.47Å; T324-T484 HydrophobicContact CG2-CG2 3.75Å; T324-T484 PolarHBondContact OG1-OG1 3.22Å; T324-S570 WeakPolarHBondContact CB-OG 3.18Å; T324-S570 WeakPolarHBondContact CG2-OG 3.29Å; T324-S570 PolarHBondContact OG1-OG 2.86Å; T324-F726 HydrophobicContact CG2-CE1 3.51Å; T324-F726 HydrophobicContact CG2-CZ 3.62Å
325	G	91.4	Very high	88.7	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	86	-177.3	-179.7	0	0	0	0	0	114.3	P327 G479 T484	G325-P327 VanDerWaalsContact O-CD 3.29Å; G325-P327 WeakPolarHBondContact O-CD 3.5Å; G325-G479 PolarHBondContact N-O 3.18Å; G325-T484 PolarHBondContact N-OG1 3.11Å
326	D	91.2	Very high	87.3	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.016	15%	0.15	C	C	.	.			trans	-65	117.8	170	-178.6	-12.2	0	0	0	108.6	V195 G196 Y328 T329 S334 V481 E485	V195-D326 VanDerWaalsContact CA-OD2 3.29Å; V195-D326 WeakPolarHBondContact CA-OD2 3.17Å; V195-D326 HydrophobicContact CB-CB 4.21Å; V195-D326 WeakPolarHBondContact CB-OD2 3.26Å; V195-D326 HydrophobicContact CG1-CB 4Å; G196-D326 PolarHBondContact N-OD2 2.89Å; D326-Y328 PolarHBondContact O-N 3.29Å; D326-Y328 VanDerWaalsContact OD1-CB 3.31Å; D326-Y328 WeakPolarHBondContact OD1-CB 3.46Å; D326-Y328 WeakPolarHBondContact OD1-CD2 3.46Å; D326-Y328 PolarHBondContact OD1-N 3.31Å; D326-T329 WeakPolarHBondContact CB-OG1 3.23Å; D326-T329 PolarHBondContact O-N 2.98Å; D326-S334 PolarHBondContact OD2-OG 3.38Å; D326-V481 HydrophobicContact CB-CG1 4.23Å; D326-E485 WeakPolarHBondContact CB-OE1 3.44Å; D326-E485 PolarHBondContact N-OE1 3.12Å
327	P	89.3	Confident	85.3	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-1.5	179.7	26.3	-33.8	0	0	0	113.8	Y232 G325 S345 L348	Y232-P327 HydrophobicContact CD1-CG 3.52Å; Y232-P327 HydrophobicContact CE1-CG 3.31Å; Y232-P327 HydrophobicContact CE2-CG 4.48Å; Y232-P327 HydrophobicContact CG-CG 4.17Å; G325-P327 VanDerWaalsContact O-CD 3.29Å; G325-P327 WeakPolarHBondContact O-CD 3.5Å; P327-S345 WeakPolarHBondContact O-CA 3.41Å; P327-S345 WeakPolarHBondContact O-CB 3.48Å; P327-S345 PolarHBondContact O-N 2.95Å; P327-L348 HydrophobicContact CB-CD1 4.1Å; P327-L348 HydrophobicContact CB-CD2 3.69Å; P327-L348 HydrophobicContact CB-CG 3.87Å; P327-L348 HydrophobicContact CG-CD2 4.01Å
328	Y	87.3	Confident	83.1	Confident	35 Å²	35	41.8 Å²	41.8	14%	0.137	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-1.9	-178.2	-59	-69.1	0	0	0	114.2	G196 Y232 D326 P330 P342 V343 L348 R402	G196-Y328 WeakPolarHBondContact O-CE2 3.36Å; Y232-Y328 HydrophobicContact CE1-CE2 4.34Å; D326-Y328 PolarHBondContact O-N 3.29Å; D326-Y328 VanDerWaalsContact OD1-CB 3.31Å; D326-Y328 WeakPolarHBondContact OD1-CB 3.46Å; D326-Y328 WeakPolarHBondContact OD1-CD2 3.46Å; D326-Y328 PolarHBondContact OD1-N 3.31Å; Y328-P330 VanDerWaalsContact C-CD 3.46Å; Y328-P342 HydrophobicContact CD1-CB 4.46Å; Y328-V343 CarbonylContact C-O 3.46Å; Y328-V343 VanDerWaalsContact C-O 3.25Å; Y328-V343 WeakPolarHBondContact CA-O 3.44Å; Y328-V343 PolarHBondContact O-N 3.44Å; Y328-L348 HydrophobicContact CD1-CD1 4.37Å; Y328-L348 HydrophobicContact CE1-CD1 3.82Å; Y328-R402 VanDerWaalsContact CD1-NH1 3.27Å; Y328-R402 VanDerWaalsContact CD2-NH2 3.33Å; Y328-R402 HydrophobicContact CE2-CG 4.33Å; Y328-R402 VanDerWaalsContact CG-NH2 3.32Å
329	T	84.9	Confident	81.2	Confident	38 Å²	38	48.2 Å²	48.2	23%	0.233	25%	0.247	C	C	.	.	S	Bend	trans	-134.3	43.5	176.5	54.4	0	0	0	0	112.3	D326 G331 F332 S334	D326-T329 WeakPolarHBondContact CB-OG1 3.23Å; D326-T329 PolarHBondContact O-N 2.98Å; T329-G331 PolarHBondContact O-N 3.01Å; T329-G331 VanDerWaalsContact O-N 3.1Å; T329-F332 WeakPolarHBondContact CB-O 3.47Å; T329-F332 PolarHBondContact O-N 2.82Å; T329-F332 VanDerWaalsContact O-N 3.1Å; T329-S334 PolarHBondContact OG1-OG 3.43Å
330	P	83	Confident	79.3	Confident	29 Å²	29	54.1 Å²	54.1	19%	0.188	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	121.4	-171.9	27.4	-36.2	0	0	0	112.4	Y328 V343	Y328-P330 VanDerWaalsContact C-CD 3.46Å; P330-V343 WeakPolarHBondContact CD-O 3.44Å; P330-V343 HydrophobicContact CG-CG1 4.46Å
331	G	78.7	Confident	77.8	Confident	12 Å²	12	58.9 Å²	58.9	12%	0.124	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	2.1	176.8	0	0	0	0	0	115.3	T329 E488	T329-G331 PolarHBondContact O-N 3.01Å; T329-G331 VanDerWaalsContact O-N 3.1Å; G331-E488 WeakPolarHBondContact CA-OE1 3.28Å; G331-E488 PolarHBondContact N-OE1 3.08Å
332	F	81.4	Confident	76.6	Confident	142 Å²	142	62.6 Å²	62.6	62%	0.623	33%	0.328	S	S	*	.	S	Bend	trans	-145.9	138.8	179.6	-57.2	-86.4	0	0	0	111	T329 E488	T329-F332 WeakPolarHBondContact CB-O 3.47Å; T329-F332 PolarHBondContact O-N 2.82Å; T329-F332 VanDerWaalsContact O-N 3.1Å; F332-E488 VanDerWaalsContact C-OE2 3.28Å; F332-E488 VanDerWaalsContact O-OE2 3.1Å
333	P	83.6	Confident	76	Confident	15 Å²	15	65.3 Å²	65.3	10%	0.097	35%	0.346	C	S	.	.			trans	-55.3	143	179.2	-25.9	34.1	0	0	0	113.8	F335 E488 G489	P333-F335 HydrophobicContact CB-CE2 4.49Å; P333-F335 HydrophobicContact CB-CZ 4.15Å; P333-F335 WeakPolarHBondContact O-CD2 3.31Å; P333-F335 WeakPolarHBondContact O-CE2 3.45Å; P333-F335 PolarHBondContact O-N 3.24Å; P333-E488 HydrophobicContact CG-CB 4.2Å; P333-G489 VanDerWaalsContact CG-N 3.35Å
334	S	80.1	Confident	75.7	Confident	5 Å²	5	68.3 Å²	68.3	4%	0.035	37%	0.37	C	S	.	.			trans	-71.6	114.9	174.9	-63.7	0	0	0	0	111.9	Y194 D326 T329 E485	Y194-S334 WeakPolarHBondContact O-CB 3.42Å; D326-S334 PolarHBondContact OD2-OG 3.38Å; T329-S334 PolarHBondContact OG1-OG 3.43Å; S334-E485 WeakPolarHBondContact CB-OE2 3.47Å; S334-E485 PolarHBondContact N-OE2 3.07Å; S334-E485 PolarHBondContact OG-OE2 2.8Å
335	F	71.5	Confident	75.3	Confident	126 Å²	126	68.4 Å²	68.4	55%	0.553	37%	0.372	S	S	*	.			trans	-96.4	150.1	176.6	-58.4	-75.3	0	0	0	112.6	P333 Q337	P333-F335 HydrophobicContact CB-CE2 4.49Å; P333-F335 HydrophobicContact CB-CZ 4.15Å; P333-F335 WeakPolarHBondContact O-CD2 3.31Å; P333-F335 WeakPolarHBondContact O-CE2 3.45Å; P333-F335 PolarHBondContact O-N 3.24Å; F335-Q337 PolarHBondContact O-N 2.95Å
336	N	64.6	Low	74.9	Confident	90 Å²	90	73.4 Å²	73.4	48%	0.481	41%	0.406	S	S	.	.	S	Bend	trans	-74.6	68.7	170.7	-169.9	2.1	0	0	0	110.9	Y194	Y194-N336 HydrophobicContact CD2-CB 3.46Å; Y194-N336 VanDerWaalsContact CD2-CB 3.46Å; Y194-N336 HydrophobicContact CE2-CB 3.76Å; Y194-N336 VanDerWaalsContact CE2-ND2 3.3Å; Y194-N336 WeakPolarHBondContact CE2-ND2 3.23Å; Y194-N336 HydrophobicContact CG-CB 4Å
337	Q	54.4	Low	74.7	Confident	140 Å²	140	73.6 Å²	73.6	65%	0.654	41%	0.41	S	S	*	.	S	Bend	trans	-179.8	156.2	161.6	-102.7	149.1	57.9	0	0	116.8	F335 Q339	F335-Q337 PolarHBondContact O-N 2.95Å; Q337-Q339 PolarHBondContact O-N 3.46Å
338	T	50	Low	74.9	Confident	145 Å²	145	75.5 Å²	75.5	89%	0.89	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	6.6	173.5	51.4	0	0	0	0	116.9
339	Q	55.4	Low	75.3	Confident	145 Å²	145	74.4 Å²	74.4	68%	0.678	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-27.6	-168.3	-163.9	170.8	9.5	0	0	112.9	Q337	Q337-Q339 PolarHBondContact O-N 3.46Å
340	F	57.1	Low	75.8	Confident	149 Å²	149	76.8 Å²	76.8	65%	0.654	44%	0.435	S	S	*	.	S	Bend	trans	-120.1	127.3	174.8	-63.2	-77.3	0	0	0	109.8
341	P	63.6	Low	76.5	Confident	101 Å²	101	76 Å²	76	66%	0.656	43%	0.429	S	S	*	.			trans	-61.7	136.6	171.4	26.5	-31.6	0	0	0	108.5	V343	P341-V343 PolarHBondContact O-N 2.98Å
342	P	70.1	Confident	77.4	Confident	81 Å²	81	75.8 Å²	75.8	53%	0.526	43%	0.425	S	S	.	.			trans	-49.3	126.8	173.8	-29.8	36.2	0	0	0	111.1	Y328	Y328-P342 HydrophobicContact CD1-CB 4.46Å
343	V	77.3	Confident	78.2	Confident	94 Å²	94	69 Å²	69	57%	0.57	40%	0.396	S	S	*	.			trans	-99.7	108.9	172.1	-179.8	0	0	0	0	106.9	Y328 P330 P341 S345	Y328-V343 CarbonylContact C-O 3.46Å; Y328-V343 VanDerWaalsContact C-O 3.25Å; Y328-V343 WeakPolarHBondContact CA-O 3.44Å; Y328-V343 PolarHBondContact O-N 3.44Å; P330-V343 WeakPolarHBondContact CD-O 3.44Å; P330-V343 HydrophobicContact CG-CG1 4.46Å; P341-V343 PolarHBondContact O-N 2.98Å; V343-S345 PolarHBondContact O-N 3.08Å
344	A	83.4	Confident	78.8	Confident	68 Å²	68	68.5 Å²	68.5	56%	0.562	39%	0.392	S	S	*	.			trans	-63.6	124.8	178.3	0	0	0	0	0	110.3	L348	A344-L348 HydrophobicContact CB-CD1 4.03Å
345	S	83.9	Confident	79.7	Confident	18 Å²	18	68.3 Å²	68.3	13%	0.126	39%	0.391	C	S	.	.			trans	-57.6	139.4	172.5	177.6	0	0	0	0	110	H321 P327 V343 G347 L348	H321-S345 PolarHBondContact NE2-OG 3.49Å; P327-S345 WeakPolarHBondContact O-CA 3.41Å; P327-S345 WeakPolarHBondContact O-CB 3.48Å; P327-S345 PolarHBondContact O-N 2.95Å; V343-S345 PolarHBondContact O-N 3.08Å; S345-G347 PolarHBondContact O-N 3.17Å; S345-G347 VanDerWaalsContact O-N 3.11Å; S345-G347 PolarHBondContact OG-N 3.23Å; S345-L348 PolarHBondContact O-N 3.32Å; S345-L348 VanDerWaalsContact O-N 3.16Å
346	S	82.4	Confident	80.9	Confident	105 Å²	105	62.5 Å²	62.5	73%	0.734	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.1	172	55.5	0	0	0	0	113.2
347	G	87.5	Confident	82.3	Confident	8 Å²	8	58.4 Å²	58.4	8%	0.082	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.4	177	0	0	0	0	0	115.1	L322 S345	L322-G347 WeakPolarHBondContact CB-O 3.45Å; L322-G347 PolarHBondContact N-O 3.25Å; S345-G347 PolarHBondContact O-N 3.17Å; S345-G347 VanDerWaalsContact O-N 3.11Å; S345-G347 PolarHBondContact OG-N 3.23Å
348	L	92.6	Very high	84.2	Confident	39 Å²	39	51.9 Å²	51.9	20%	0.204	31%	0.314	C	S	.	.	S	Bend	trans	-73.3	131.4	174.7	-75.9	170.8	0	0	0	110.5	Y232 P327 Y328 A344 S345	Y232-L348 HydrophobicContact CD1-CD2 4.25Å; Y232-L348 HydrophobicContact CG-CD2 4.21Å; P327-L348 HydrophobicContact CB-CD1 4.1Å; P327-L348 HydrophobicContact CB-CD2 3.69Å; P327-L348 HydrophobicContact CB-CG 3.87Å; P327-L348 HydrophobicContact CG-CD2 4.01Å; Y328-L348 HydrophobicContact CD1-CD1 4.37Å; Y328-L348 HydrophobicContact CE1-CD1 3.82Å; A344-L348 HydrophobicContact CB-CD1 4.03Å; S345-L348 PolarHBondContact O-N 3.32Å; S345-L348 VanDerWaalsContact O-N 3.16Å
349	P	95	Very high	86.3	Confident	13 Å²	13	47.4 Å²	47.4	8%	0.084	29%	0.285	C	S	.	.			trans	-71.8	147.5	178.4	30.6	-34.9	0	0	0	111.3	Y232 V281 V320	Y232-P349 VanDerWaalsContact O-CD 3.31Å; Y232-P349 WeakPolarHBondContact O-CD 3.31Å; Y232-P349 VanDerWaalsContact O-CG 3.23Å; Y232-P349 WeakPolarHBondContact O-CG 3.31Å; V281-P349 HydrophobicContact CG1-CB 3.59Å; V281-P349 HydrophobicContact CG1-CG 4.32Å; V320-P349 HydrophobicContact CB-CG 4.31Å; V320-P349 HydrophobicContact CG2-CG 3.75Å
350	S	95.9	Very high	88.1	Confident	88 Å²	88	40.6 Å²	40.6	62%	0.615	25%	0.253	S	S	*	.	S	Bend	trans	-97.1	-2.3	172.4	68	0	0	0	0	113.3	Q285	Q285-S350 PolarHBondContact OE1-OG 2.87Å
351	I	97.8	Very high	89.9	Confident	13 Å²	13	33.5 Å²	33.5	7%	0.067	22%	0.221	C	C	.	.	S	Bend	trans	-115.4	144.5	179.4	65.3	171.2	0	0	0	111.5	A234 V281 A284 Q285 V292	A234-I351 VanDerWaalsContact CB-C 3.48Å; A234-I351 WeakPolarHBondContact CB-O 3.38Å; V281-I351 HydrophobicContact CG1-CD1 4.13Å; V281-I351 HydrophobicContact CG1-CG1 3.75Å; A284-I351 HydrophobicContact CB-CD1 4.08Å; Q285-I351 HydrophobicContact CB-CD1 3.87Å; Q285-I351 HydrophobicContact CB-CG1 4.18Å; Q285-I351 HydrophobicContact CB-CG2 4.48Å; Q285-I351 HydrophobicContact CG-CG2 4.29Å; V292-I351 HydrophobicContact CG2-CD1 3.89Å
352	P	97.9	Very high	91.4	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.039	19%	0.192	C	C	.	.			trans	-68.1	141.9	176.9	-23.1	35.6	0	0	0	112.9	S233 V238 Q290 G291 V292 L396 V398	S233-P352 WeakPolarHBondContact OG-CA 3.34Å; V238-P352 HydrophobicContact CG1-CG 3.9Å; V238-P352 HydrophobicContact CG2-CB 4.41Å; V238-P352 HydrophobicContact CG2-CG 4.01Å; Q290-P352 WeakPolarHBondContact O-CD 3.46Å; G291-P352 CarbonylContact C-O 3.17Å; G291-P352 WeakPolarHBondContact CA-O 3.41Å; V292-P352 PolarHBondContact N-O 3.46Å; P352-L396 HydrophobicContact CB-CD2 4.07Å; P352-V398 HydrophobicContact CB-CB 4.1Å; P352-V398 HydrophobicContact CB-CG2 3.72Å
353	A	98	Very high	92.5	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134.6	174.7	0	0	0	0	0	110.4	C230 S233 V281 V292 V320	C230-A353 HydrophobicContact CB-CB 4.32Å; S233-A353 PolarHBondContact OG-N 3.11Å; S233-A353 PolarHBondContact OG-O 3.32Å; V281-A353 HydrophobicContact CG1-CB 4.36Å; V281-A353 HydrophobicContact CG2-CB 3.57Å; V292-A353 HydrophobicContact CB-CB 4.46Å; V292-A353 CarbonylContact O-C 3.56Å; V292-A353 VanDerWaalsContact O-CA 3.27Å; V292-A353 WeakPolarHBondContact O-CA 3.42Å; V320-A353 HydrophobicContact CG1-CB 4.06Å
354	Q	97.5	Very high	93.3	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.019	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.7	179.5	176.8	61.4	42.5	0	0	110.6	N206 L223 V228 V292 L293 I294 I356 L396 V398	N206-Q354 PolarHBondContact ND2-OE1 3.34Å; L223-Q354 HydrophobicContact CD1-CG 4.28Å; V228-Q354 PolarHBondContact O-NE2 3.45Å; V292-Q354 PolarHBondContact O-N 2.89Å; L293-Q354 WeakPolarHBondContact CA-O 3.46Å; L293-Q354 HydrophobicContact CD2-CB 4.07Å; I294-Q354 PolarHBondContact N-O 2.96Å; I294-Q354 VanDerWaalsContact N-O 3.12Å; Q354-I356 HydrophobicContact CG-CG2 4.4Å; Q354-L396 HydrophobicContact CB-CD1 3.74Å; Q354-L396 HydrophobicContact CB-CD2 4.38Å; Q354-L396 HydrophobicContact CG-CD1 4.24Å; Q354-V398 HydrophobicContact CB-CG2 4.44Å
355	P	97.3	Very high	93.8	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.013	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	143	170	30.1	-32.1	0	0	0	110.2	V228 F277 I294 A315 V316	V228-P355 HydrophobicContact CB-CG 4.28Å; V228-P355 HydrophobicContact CG1-CB 4.02Å; V228-P355 HydrophobicContact CG1-CG 3.5Å; V228-P355 VanDerWaalsContact CG1-CG 3.5Å; F277-P355 HydrophobicContact CE2-CB 4.48Å; I294-P355 CarbonylContact O-C 3.53Å; I294-P355 VanDerWaalsContact O-CA 3.29Å; I294-P355 WeakPolarHBondContact O-CA 3.22Å; A315-P355 HydrophobicContact CB-CB 4.28Å; V316-P355 VanDerWaalsContact O-CB 3.28Å; V316-P355 WeakPolarHBondContact O-CB 3.5Å
356	I	96.8	Very high	94.2	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.015	15%	0.152	C	C	.	.			trans	-134.4	158.6	179.3	63.2	169.4	0	0	0	110.6	L223 L269 L293 I294 P296 Q354 I360 A361 L364	L223-I356 HydrophobicContact CD2-CG2 4.02Å; L269-I356 HydrophobicContact CD1-CD1 3.78Å; L293-I356 HydrophobicContact CB-CD1 4.07Å; L293-I356 HydrophobicContact CB-CG1 4.47Å; L293-I356 HydrophobicContact CD1-CD1 4.41Å; L293-I356 HydrophobicContact CD2-CG2 4.13Å; I294-I356 PolarHBondContact O-N 3.4Å; P296-I356 VanDerWaalsContact CD-O 3.25Å; P296-I356 WeakPolarHBondContact CD-O 3.31Å; Q354-I356 HydrophobicContact CG-CG2 4.4Å; I356-I360 HydrophobicContact CB-CB 4.37Å; I356-I360 HydrophobicContact CB-CG2 4.31Å; I356-I360 HydrophobicContact CD1-CB 4.49Å; I356-I360 HydrophobicContact CD1-CG2 4.06Å; I356-A361 HydrophobicContact CD1-CB 4.16Å; I356-L364 HydrophobicContact CD1-CD1 3.74Å
357	S	95.4	Very high	94.7	Very high	5 Å²	5	29.2 Å²	29.2	4%	0.035	14%	0.142	C	C	.	.			trans	-73.5	161.3	176.9	72.9	0	0	0	0	112.1	E224 S312 Q313 Q314 D359 I360 A361	E224-S357 PolarHBondContact OE2-OG 3.11Å; S312-S357 VanDerWaalsContact O-CB 3.32Å; S312-S357 WeakPolarHBondContact O-CB 3.34Å; Q313-S357 VanDerWaalsContact C-CB 3.42Å; Q313-S357 WeakPolarHBondContact O-CB 3.19Å; Q314-S357 WeakPolarHBondContact O-CA 3.31Å; S357-D359 PolarHBondContact O-N 3.15Å; S357-I360 PolarHBondContact O-N 3.41Å; S357-I360 WeakPolarHBondContact OG-CG1 3.41Å; S357-I360 PolarHBondContact OG-N 2.91Å; S357-A361 PolarHBondContact O-N 3.13Å
358	A	94	Very high	95	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-58.5	-35.3	172.2	0	0	0	0	0	112.3	P298 S312 A361 S362 L381	P298-A358 HydrophobicContact CG-CB 4.2Å; S312-A358 WeakPolarHBondContact O-CB 3.34Å; S312-A358 PolarHBondContact O-N 2.97Å; S312-A358 VanDerWaalsContact O-N 3.11Å; A358-A361 PolarHBondContact O-N 2.95Å; A358-S362 WeakPolarHBondContact O-CB 2.97Å; A358-S362 PolarHBondContact O-N 3.45Å; A358-L381 HydrophobicContact CB-CD2 3.82Å
359	D	93.2	Very high	94.9	Very high	51 Å²	51	34.8 Å²	34.8	27%	0.273	16%	0.163	S	C	.	.	H	α-helix	trans	-67.2	-43.2	178.2	-79.3	-26.9	0	0	0	112.3	S312 Q313 S357 S362 R363	S312-D359 VanDerWaalsContact CB-CG 3.49Å; S312-D359 WeakPolarHBondContact CB-OD1 3.19Å; S312-D359 WeakPolarHBondContact CB-OD2 2.87Å; S312-D359 PolarHBondContact O-N 3.41Å; S312-D359 VanDerWaalsContact OG-CG 3.24Å; S312-D359 PolarHBondContact OG-OD1 2.79Å; S312-D359 PolarHBondContact OG-OD2 2.92Å; Q313-D359 VanDerWaalsContact CG-OD2 3.28Å; Q313-D359 WeakPolarHBondContact CG-OD2 3.08Å; S357-D359 PolarHBondContact O-N 3.15Å; D359-S362 WeakPolarHBondContact O-CB 3.22Å; D359-S362 PolarHBondContact O-N 3.18Å; D359-R363 WeakPolarHBondContact O-CG 2.79Å; D359-R363 PolarHBondContact O-N 3.18Å
360	I	94.3	Very high	94.7	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-44.2	173.1	-60.9	-58.1	0	0	0	110.3	L208 P222 I356 S357 S362 R363 L364	L208-I360 HydrophobicContact CD2-CG2 4.35Å; P222-I360 WeakPolarHBondContact O-CD1 3.39Å; I356-I360 HydrophobicContact CB-CB 4.37Å; I356-I360 HydrophobicContact CB-CG2 4.31Å; I356-I360 HydrophobicContact CD1-CB 4.49Å; I356-I360 HydrophobicContact CD1-CG2 4.06Å; S357-I360 PolarHBondContact O-N 3.41Å; S357-I360 WeakPolarHBondContact OG-CG1 3.41Å; S357-I360 PolarHBondContact OG-N 2.91Å; I360-S362 VanDerWaalsContact C-N 3.3Å; I360-S362 PolarHBondContact O-N 2.95Å; I360-R363 WeakPolarHBondContact O-CB 3.33Å; I360-R363 PolarHBondContact O-N 3.44Å; I360-R363 VanDerWaalsContact O-N 3.11Å; I360-L364 HydrophobicContact CG2-CD1 4.37Å; I360-L364 HydrophobicContact CG2-CG 4.39Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 3.5Å
361	A	95.1	Very high	94.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.3	-40.8	174.7	0	0	0	0	0	112.2	Y295 I356 S357 A358 R363 L364 L365 L381	Y295-A361 HydrophobicContact CD1-CB 3.95Å; Y295-A361 HydrophobicContact CD2-CB 3.37Å; Y295-A361 HydrophobicContact CE1-CB 4.46Å; Y295-A361 HydrophobicContact CE2-CB 3.96Å; Y295-A361 HydrophobicContact CG-CB 3.37Å; I356-A361 HydrophobicContact CD1-CB 4.16Å; S357-A361 PolarHBondContact O-N 3.13Å; A358-A361 PolarHBondContact O-N 2.95Å; A361-R363 PolarHBondContact O-N 3.22Å; A361-L364 WeakPolarHBondContact O-CB 3.41Å; A361-L364 PolarHBondContact O-N 3.32Å; A361-L365 WeakPolarHBondContact O-CB 3.37Å; A361-L365 VanDerWaalsContact O-CG 3.24Å; A361-L365 WeakPolarHBondContact O-CG 3.26Å; A361-L365 PolarHBondContact O-N 3.49Å; A361-L381 HydrophobicContact CB-CD1 4.15Å
362	S	94.1	Very high	94.5	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.028	19%	0.188	C	C	.	.	H	α-helix	trans	-60.6	-43.2	174.6	-170.5	0	0	0	0	111.6	A358 D359 I360 L364 R366 L381 L382	A358-S362 WeakPolarHBondContact O-CB 2.97Å; A358-S362 PolarHBondContact O-N 3.45Å; D359-S362 WeakPolarHBondContact O-CB 3.22Å; D359-S362 PolarHBondContact O-N 3.18Å; I360-S362 VanDerWaalsContact C-N 3.3Å; I360-S362 PolarHBondContact O-N 2.95Å; S362-L364 VanDerWaalsContact C-N 3.32Å; S362-L364 PolarHBondContact O-N 3.12Å; S362-R366 VanDerWaalsContact O-CG 3.27Å; S362-R366 WeakPolarHBondContact O-CG 3.45Å; S362-R366 PolarHBondContact O-N 3.3Å; S362-R366 VanDerWaalsContact O-N 3.15Å; S362-R366 PolarHBondContact OG-NE 3.32Å; S362-R366 PolarHBondContact OG-NH2 3.21Å; S362-L381 PolarHBondContact OG-O 3.2Å; S362-L381 VanDerWaalsContact OG-O 3.07Å; S362-L382 WeakPolarHBondContact OG-CD2 3.38Å
363	R	93	Very high	94.4	Very high	83 Å²	83	37.8 Å²	37.8	31%	0.313	19%	0.188	S	C	.	.	H	α-helix	trans	-61.3	-40.2	174.7	-69.5	177.7	68.8	178.4	1.9	112	E219 L221 D359 I360 A361	E219-R363 IonicContact OE1-NH2 3.35Å; E219-R363 PolarHBondContact OE1-NH2 3.07Å; L221-R363 VanDerWaalsContact CD2-CZ 3.45Å; D359-R363 WeakPolarHBondContact O-CG 2.79Å; D359-R363 PolarHBondContact O-N 3.18Å; I360-R363 WeakPolarHBondContact O-CB 3.33Å; I360-R363 PolarHBondContact O-N 3.44Å; I360-R363 VanDerWaalsContact O-N 3.11Å; A361-R363 PolarHBondContact O-N 3.22Å
364	L	94.3	Very high	94.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-68.6	-50.1	178.6	-68.2	-175.2	0	0	0	112	W210 L221 L242 L269 L293 I356 I360 A361 S362 R366 K367 L368 L394	W210-L364 HydrophobicContact CH2-CD2 3.38Å; W210-L364 HydrophobicContact CZ2-CD2 3.91Å; W210-L364 HydrophobicContact CZ3-CD2 3.95Å; L221-L364 HydrophobicContact CD1-CD2 3.67Å; L242-L364 HydrophobicContact CD2-CB 3.65Å; L242-L364 HydrophobicContact CD2-CD1 4.04Å; L242-L364 HydrophobicContact CD2-CD2 4.19Å; L242-L364 HydrophobicContact CD2-CG 4.16Å; L269-L364 HydrophobicContact CD1-CD1 4.41Å; L269-L364 HydrophobicContact CD2-CB 4.42Å; L293-L364 HydrophobicContact CD1-CD1 3.7Å; I356-L364 HydrophobicContact CD1-CD1 3.74Å; I360-L364 HydrophobicContact CG2-CD1 4.37Å; I360-L364 HydrophobicContact CG2-CG 4.39Å; I360-L364 WeakPolarHBondContact O-CG 3.37Å; I360-L364 PolarHBondContact O-N 3.5Å; A361-L364 WeakPolarHBondContact O-CB 3.41Å; A361-L364 PolarHBondContact O-N 3.32Å; S362-L364 VanDerWaalsContact C-N 3.32Å; S362-L364 PolarHBondContact O-N 3.12Å; L364-R366 VanDerWaalsContact C-N 3.28Å; L364-R366 PolarHBondContact O-N 3.44Å; L364-K367 PolarHBondContact O-N 3.4Å; L364-L368 PolarHBondContact O-N 3.49Å; L364-L394 HydrophobicContact CD1-CD1 4.49Å; L364-L394 HydrophobicContact CD2-CD1 3.82Å; L364-L394 HydrophobicContact CD2-CD2 4.15Å
365	L	94.7	Very high	93.9	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-36	-179.3	-71.6	167.3	0	0	0	112	Y244 L269 A361 K367 L368 L381 L382 Y386	Y244-L365 HydrophobicContact CD2-CD2 4.14Å; Y244-L365 HydrophobicContact CG-CD2 4.2Å; L269-L365 HydrophobicContact CD2-CD2 3.65Å; L269-L365 HydrophobicContact CD2-CG 3.76Å; A361-L365 WeakPolarHBondContact O-CB 3.37Å; A361-L365 VanDerWaalsContact O-CG 3.24Å; A361-L365 WeakPolarHBondContact O-CG 3.26Å; A361-L365 PolarHBondContact O-N 3.49Å; L365-K367 PolarHBondContact O-N 3.01Å; L365-L368 HydrophobicContact CD2-CD1 3.77Å; L365-L368 PolarHBondContact O-N 3.42Å; L365-L381 HydrophobicContact CD1-CD1 3.88Å; L365-L382 HydrophobicContact CB-CD1 3.73Å; L365-L382 HydrophobicContact CB-CG 4.5Å; L365-Y386 HydrophobicContact CD1-CD2 4.4Å; L365-Y386 HydrophobicContact CD1-CE1 4.08Å; L365-Y386 HydrophobicContact CD1-CE2 3.94Å; L365-Y386 HydrophobicContact CD2-CD2 4.4Å; L365-Y386 HydrophobicContact CD2-CG 4.49Å
366	R	92.6	Very high	93.6	Very high	164 Å²	164	52.4 Å²	52.4	62%	0.619	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.3	175.5	-74.2	173.8	-154.5	178.4	7.2	114.2	S362 L364 L382	S362-R366 VanDerWaalsContact O-CG 3.27Å; S362-R366 WeakPolarHBondContact O-CG 3.45Å; S362-R366 PolarHBondContact O-N 3.3Å; S362-R366 VanDerWaalsContact O-N 3.15Å; S362-R366 PolarHBondContact OG-NE 3.32Å; S362-R366 PolarHBondContact OG-NH2 3.21Å; L364-R366 VanDerWaalsContact C-N 3.28Å; L364-R366 PolarHBondContact O-N 3.44Å; R366-L382 HydrophobicContact CG-CD1 4.37Å; R366-L382 HydrophobicContact CG-CD2 3.4Å
367	K	92.1	Very high	93.5	Very high	122 Å²	122	52.4 Å²	52.4	53%	0.53	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-9.2	-177.9	-63.4	-70.7	-171.5	171.2	0	112.5	W210 L364 L365 P392	W210-K367 HydrophobicContact CH2-CB 4.28Å; W210-K367 HydrophobicContact CH2-CG 4.05Å; W210-K367 HydrophobicContact CZ2-CG 4.32Å; L364-K367 PolarHBondContact O-N 3.4Å; L365-K367 PolarHBondContact O-N 3.01Å; K367-P392 HydrophobicContact CB-CG 3.83Å; K367-P392 WeakPolarHBondContact O-CD 3.17Å
368	L	93.3	Very high	93.4	Very high	8 Å²	8	54.7 Å²	54.7	4%	0.042	27%	0.267	C	S	.	.			trans	-67.9	136.6	175.5	-66.6	-178.6	0	0	0	110.4	L242 L364 L365 H387	L242-L368 HydrophobicContact CB-CD2 4.02Å; L242-L368 HydrophobicContact CD2-CD2 3.94Å; L242-L368 HydrophobicContact CG-CD2 3.99Å; L242-L368 WeakPolarHBondContact O-CD2 3.37Å; L364-L368 PolarHBondContact O-N 3.49Å; L365-L368 HydrophobicContact CD2-CD1 3.77Å; L365-L368 PolarHBondContact O-N 3.42Å; L368-H387 HydrophobicContact CB-CB 4.07Å; L368-H387 VanDerWaalsContact CD1-O 3.23Å; L368-H387 WeakPolarHBondContact CD1-O 3.41Å
369	K	90.6	Very high	93.2	Very high	157 Å²	157	55.7 Å²	55.7	68%	0.683	28%	0.278	S	S	*	.			trans	-115.6	-168.8	173.9	-62.8	179.1	-177.3	172.5	0	109.2	H387 G389 P390	K369-H387 WeakPolarHBondContact O-CB 3.19Å; K369-G389 CarbonylContact O-C 3.43Å; K369-G389 WeakPolarHBondContact O-CA 3.31Å; K369-G389 PolarHBondContact O-N 3.06Å; K369-P390 PolarHBondContact N-O 2.87Å
370	G	91.4	Very high	92.8	Very high	43 Å²	43	55.9 Å²	55.9	44%	0.443	28%	0.283	S	S	.	.	S	Bend	trans	86.1	-159.5	175.3	0	0	0	0	0	113.3	H387	G370-H387 PolarHBondContact O-ND1 3.4Å
371	P	94.1	Very high	92.3	Very high	57 Å²	57	57.1 Å²	57.1	37%	0.37	29%	0.29	S	S	.	.	S	Bend	trans	-58.7	143.2	-174.9	-21.6	32.1	0	0	0	112	V261 H387 L388	V261-P371 HydrophobicContact CG2-CG 4.27Å; P371-H387 WeakPolarHBondContact O-CA 3.39Å; P371-L388 HydrophobicContact CB-CD1 4.23Å; P371-L388 PolarHBondContact O-N 2.91Å
372	V	95.1	Very high	91.4	Very high	78 Å²	78	58.4 Å²	58.4	47%	0.473	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-67.6	134	172.6	177.9	0	0	0	0	108.6	P385	V372-P385 HydrophobicContact CG1-CB 3.98Å
373	A	94.7	Very high	90.3	Very high	5 Å²	5	62.9 Å²	62.9	4%	0.041	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-64.4	148.4	177.4	0	0	0	0	0	110.6	Y244 W377 Q378 Y386 L388	Y244-A373 HydrophobicContact CD1-CB 4.33Å; Y244-A373 HydrophobicContact CE1-CB 4.3Å; A373-W377 HydrophobicContact CB-CB 4.06Å; A373-Q378 PolarHBondContact O-NE2 2.67Å; A373-Y386 WeakPolarHBondContact CB-O 3.38Å; A373-Y386 PolarHBondContact N-O 2.87Å; A373-L388 HydrophobicContact CB-CD2 3.59Å; A373-L388 HydrophobicContact CB-CG 4.22Å
374	P	94	Very high	89.7	Confident	14 Å²	14	62 Å²	62	9%	0.091	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-53.9	158	175	-24.4	34.4	0	0	0	112.9	E376 W377 Q378	P374-E376 HydrophobicContact CB-CG 3.95Å; P374-E376 WeakPolarHBondContact CB-OE1 3.21Å; P374-E376 WeakPolarHBondContact CB-OE2 3.49Å; P374-E376 PolarHBondContact O-N 3.46Å; P374-W377 HydrophobicContact CB-CG 4.28Å; P374-W377 HydrophobicContact CG-CD2 4.15Å; P374-W377 HydrophobicContact CG-CG 4.18Å; P374-W377 CarbonylContact O-C 3.57Å; P374-W377 WeakPolarHBondContact O-CA 3.02Å; P374-W377 PolarHBondContact O-N 3.43Å; P374-Q378 PolarHBondContact O-N 3.16Å
375	Q	92.1	Very high	89.5	Confident	175 Å²	175	65.1 Å²	65.1	82%	0.818	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-59.3	-40.2	-177.3	-176.1	176.9	0.6	0	0	111.4	W377 Q378	Q375-W377 PolarHBondContact O-N 2.96Å; Q375-Q378 WeakPolarHBondContact O-CB 3.43Å; Q375-Q378 PolarHBondContact O-N 3.16Å; Q375-Q378 VanDerWaalsContact O-N 3.13Å
376	E	91.5	Very high	89.5	Confident	124 Å²	124	65 Å²	65	58%	0.579	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-63.4	-19.9	175.3	60.8	-89.3	-157.4	0	0	113.7	H246 P374	H246-E376 PolarHBondContact NE2-O 3.46Å; P374-E376 HydrophobicContact CB-CG 3.95Å; P374-E376 WeakPolarHBondContact CB-OE1 3.21Å; P374-E376 WeakPolarHBondContact CB-OE2 3.49Å; P374-E376 PolarHBondContact O-N 3.46Å
377	W	93.9	Very high	89.6	Confident	3 Å²	3	59.9 Å²	59.9	1%	0.011	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-100.6	2.2	177.3	-64.4	13.3	0	0	0	112.5	Y244 H246 D252 D255 L256 R271 A373 P374 Q375 L388	Y244-W377 HydrophobicContact CD1-CE3 4.46Å; Y244-W377 HydrophobicContact CE1-CB 4.11Å; Y244-W377 HydrophobicContact CE1-CE3 4.23Å; Y244-W377 WeakPolarHBondContact CE1-O 3.48Å; Y244-W377 PolarHBondContact OH-O 3.12Å; Y244-W377 VanDerWaalsContact OH-O 3.08Å; H246-W377 HydrophobicContact CB-CD2 3.45Å; H246-W377 VanDerWaalsContact CB-CD2 3.45Å; H246-W377 HydrophobicContact CB-CE3 3.64Å; H246-W377 HydrophobicContact CB-CG 3.84Å; H246-W377 HydrophobicContact CB-CH2 4.17Å; H246-W377 HydrophobicContact CB-CZ2 4.01Å; H246-W377 HydrophobicContact CB-CZ3 3.98Å; H246-W377 AromaticContact CD2-CD1 3.64Å; H246-W377 AromaticContact CD2-CG 3.69Å; H246-W377 AromaticContact CE1-CD1 3.32Å; H246-W377 AromaticContact CE1-NE1 3.66Å; H246-W377 AromaticContact CG-CD1 3.44Å; H246-W377 VanDerWaalsContact CG-CD1 3.44Å; H246-W377 AromaticContact CG-CD2 3.72Å; H246-W377 AromaticContact CG-CE2 3.78Å; H246-W377 AromaticContact CG-CG 3.58Å; H246-W377 AromaticContact CG-NE1 3.65Å; H246-W377 AromaticContact ND1-CD1 3.26Å; H246-W377 VanDerWaalsContact ND1-CD1 3.26Å; H246-W377 AromaticContact ND1-CE2 3.71Å; H246-W377 AromaticContact ND1-CG 3.9Å; H246-W377 AromaticContact ND1-NE1 3.22Å; H246-W377 PolarHBondContact ND1-NE1 2.97Å; H246-W377 AromaticContact NE2-CD1 3.58Å; D252-W377 HydrophobicContact CB-CH2 4.05Å; D252-W377 HydrophobicContact CB-CZ2 3.8Å; D252-W377 VanDerWaalsContact O-CH2 3.29Å; D252-W377 WeakPolarHBondContact O-CH2 3.48Å; D255-W377 HydrophobicContact CB-CH2 4.48Å; D255-W377 HydrophobicContact CB-CZ2 4.2Å; L256-W377 HydrophobicContact CB-CH2 4.33Å; L256-W377 HydrophobicContact CD1-CZ3 4.46Å; R271-W377 PolarHBondContact NH2-O 3.09Å; A373-W377 HydrophobicContact CB-CB 4.06Å; P374-W377 HydrophobicContact CB-CG 4.28Å; P374-W377 HydrophobicContact CG-CD2 4.15Å; P374-W377 HydrophobicContact CG-CG 4.18Å; P374-W377 CarbonylContact O-C 3.57Å; P374-W377 WeakPolarHBondContact O-CA 3.02Å; P374-W377 PolarHBondContact O-N 3.43Å; Q375-W377 PolarHBondContact O-N 2.96Å; W377-L388 HydrophobicContact CE3-CD2 3.57Å; W377-L388 HydrophobicContact CZ3-CD2 3.61Å
378	Q	93.4	Very high	89.8	Confident	52 Å²	52	54.1 Å²	54.1	24%	0.243	33%	0.328	C	S	.	.			trans	-72.2	156.7	173.2	-62.4	-62.2	-34.2	0	0	110	R271 A373 P374 Q375 Y386	R271-Q378 PolarHBondContact NH1-O 2.92Å; R271-Q378 PolarHBondContact NH2-O 3.31Å; A373-Q378 PolarHBondContact O-NE2 2.67Å; P374-Q378 PolarHBondContact O-N 3.16Å; Q375-Q378 WeakPolarHBondContact O-CB 3.43Å; Q375-Q378 PolarHBondContact O-N 3.16Å; Q375-Q378 VanDerWaalsContact O-N 3.13Å; Q378-Y386 PolarHBondContact NE2-O 3.39Å
379	G	88.8	Confident	89.7	Confident	25 Å²	25	53.7 Å²	53.7	26%	0.258	33%	0.326	S	S	.	.			trans	-137	-165.9	178.7	0	0	0	0	0	110.8	E297 Y386	E297-G379 WeakPolarHBondContact OE1-CA 3.48Å; G379-Y386 WeakPolarHBondContact CA-OH 3.2Å
380	S	86.8	Confident	89.7	Confident	54 Å²	54	48.8 Å²	48.8	38%	0.378	31%	0.309	S	S	.	.	S	Bend	trans	-113.6	2.2	-175.6	62.4	0	0	0	0	114.3	E297 A299 L382 Y386	E297-S380 PolarHBondContact OE1-N 3.12Å; A299-S380 PolarHBondContact N-OG 3.3Å; A299-S380 VanDerWaalsContact N-OG 3.16Å; S380-L382 PolarHBondContact O-N 3.08Å; S380-Y386 PolarHBondContact N-OH 2.9Å
381	L	83.1	Confident	89.5	Confident	27 Å²	27	47.1 Å²	47.1	14%	0.141	29%	0.293	C	S	.	.	S	Bend	trans	-70.1	-15.3	-178.3	-67.4	172.5	0	0	0	115.1	Y295 P298 A358 A361 S362 L365 Y386	Y295-L381 HydrophobicContact CD2-CD1 3.93Å; Y295-L381 HydrophobicContact CE2-CD1 3.37Å; P298-L381 HydrophobicContact CG-CD2 3.43Å; P298-L381 VanDerWaalsContact CG-CD2 3.43Å; P298-L381 HydrophobicContact CG-CG 4.19Å; A358-L381 HydrophobicContact CB-CD2 3.82Å; A361-L381 HydrophobicContact CB-CD1 4.15Å; S362-L381 PolarHBondContact OG-O 3.2Å; S362-L381 VanDerWaalsContact OG-O 3.07Å; L365-L381 HydrophobicContact CD1-CD1 3.88Å; L381-Y386 HydrophobicContact CB-CE1 4.48Å; L381-Y386 WeakPolarHBondContact CB-OH 3.46Å; L381-Y386 PolarHBondContact N-OH 3.13Å
382	L	75.3	Confident	89.1	Confident	27 Å²	27	46.7 Å²	46.7	14%	0.141	29%	0.29	C	S	.	.			trans	-131.6	148.2	-172.9	-61	-178	0	0	0	112	S362 L365 R366 S380 S384 Y386	S362-L382 WeakPolarHBondContact OG-CD2 3.38Å; L365-L382 HydrophobicContact CB-CD1 3.73Å; L365-L382 HydrophobicContact CB-CG 4.5Å; R366-L382 HydrophobicContact CG-CD1 4.37Å; R366-L382 HydrophobicContact CG-CD2 3.4Å; S380-L382 PolarHBondContact O-N 3.08Å; L382-S384 VanDerWaalsContact CB-O 3.27Å; L382-S384 WeakPolarHBondContact CB-O 3.17Å; L382-S384 PolarHBondContact O-N 3.16Å; L382-Y386 HydrophobicContact CB-CD1 4.35Å; L382-Y386 HydrophobicContact CB-CE1 3.92Å; L382-Y386 HydrophobicContact CD1-CD1 3.76Å; L382-Y386 HydrophobicContact CD1-CE1 3.83Å; L382-Y386 HydrophobicContact CG-CD1 4.21Å; L382-Y386 HydrophobicContact CG-CE1 3.76Å
383	G	71.1	Confident	89	Confident	99 Å²	99	43.9 Å²	43.9	100%	1.021	28%	0.277	S	S	*	.	S	Bend	trans	-80.8	9.5	164.1	0	0	0	0	0	113.8
384	S	79.9	Confident	89	Confident	65 Å²	65	43.7 Å²	43.7	46%	0.455	28%	0.275	S	S	.	.	S	Bend	trans	-137	152.1	-178.6	62	0	0	0	0	110.1	L382	L382-S384 VanDerWaalsContact CB-O 3.27Å; L382-S384 WeakPolarHBondContact CB-O 3.17Å; L382-S384 PolarHBondContact O-N 3.16Å
385	P	91.1	Very high	89.1	Confident	66 Å²	66	46 Å²	46	43%	0.429	28%	0.282	S	S	.	.			trans	-62.7	145.3	-177.1	26.8	-35.3	0	0	0	112.1	V372 H387	V372-P385 HydrophobicContact CG1-CB 3.98Å; P385-H387 PolarHBondContact O-CD2 3.31Å; P385-H387 VanDerWaalsContact O-CD2 3.27Å
386	Y	94.4	Very high	89.3	Confident	1 Å²	1	37.7 Å²	37.7	0%	0.004	24%	0.243	C	C	.	.			trans	-69.5	139.3	173.5	-68.4	6.5	0	0	0	109.7	Y244 E297 L365 A373 Q378 G379 S380 L381 L382	Y244-Y386 HydrophobicContact CE1-CD2 4.01Å; E297-Y386 PolarHBondContact OE1-OH 3.01Å; E297-Y386 VanDerWaalsContact OE1-OH 3.08Å; E297-Y386 WeakPolarHBondContact OE2-CE2 3.22Å; E297-Y386 PolarHBondContact OE2-OH 3.32Å; L365-Y386 HydrophobicContact CD1-CD2 4.4Å; L365-Y386 HydrophobicContact CD1-CE1 4.08Å; L365-Y386 HydrophobicContact CD1-CE2 3.94Å; L365-Y386 HydrophobicContact CD2-CD2 4.4Å; L365-Y386 HydrophobicContact CD2-CG 4.49Å; A373-Y386 WeakPolarHBondContact CB-O 3.38Å; A373-Y386 PolarHBondContact N-O 2.87Å; Q378-Y386 PolarHBondContact NE2-O 3.39Å; G379-Y386 WeakPolarHBondContact CA-OH 3.2Å; S380-Y386 PolarHBondContact N-OH 2.9Å; L381-Y386 HydrophobicContact CB-CE1 4.48Å; L381-Y386 WeakPolarHBondContact CB-OH 3.46Å; L381-Y386 PolarHBondContact N-OH 3.13Å; L382-Y386 HydrophobicContact CB-CD1 4.35Å; L382-Y386 HydrophobicContact CB-CE1 3.92Å; L382-Y386 HydrophobicContact CD1-CD1 3.76Å; L382-Y386 HydrophobicContact CD1-CE1 3.83Å; L382-Y386 HydrophobicContact CG-CD1 4.21Å; L382-Y386 HydrophobicContact CG-CE1 3.76Å
387	H	95.5	Very high	89.5	Confident	56 Å²	56	32 Å²	32	26%	0.259	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-109.8	152.2	174.2	-70.3	-96.8	0	0	0	110.4	L368 K369 G370 P371 P385	L368-H387 HydrophobicContact CB-CB 4.07Å; L368-H387 VanDerWaalsContact CD1-O 3.23Å; L368-H387 WeakPolarHBondContact CD1-O 3.41Å; K369-H387 WeakPolarHBondContact O-CB 3.19Å; G370-H387 PolarHBondContact O-ND1 3.4Å; P371-H387 WeakPolarHBondContact O-CA 3.39Å; P385-H387 PolarHBondContact O-CD2 3.31Å; P385-H387 VanDerWaalsContact O-CD2 3.27Å
388	L	95.1	Very high	89.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	22%	0.217	C	C	.	.			trans	-78.3	-22.3	-176.8	-63.2	-178.5	0	0	0	113.5	V243 Y244 L256 R259 V261 P371 A373 W377	V243-L388 WeakPolarHBondContact CA-O 3.42Å; V243-L388 WeakPolarHBondContact CG1-O 3.36Å; Y244-L388 HydrophobicContact CD1-CD2 4.26Å; Y244-L388 PolarHBondContact N-O 3.04Å; L256-L388 HydrophobicContact CD1-CB 4.05Å; L256-L388 HydrophobicContact CD1-CD1 4.2Å; L256-L388 HydrophobicContact CD1-CD2 4.21Å; L256-L388 HydrophobicContact CD1-CG 4.39Å; R259-L388 HydrophobicContact CB-CD1 4.12Å; V261-L388 HydrophobicContact CG2-CB 4.05Å; P371-L388 HydrophobicContact CB-CD1 4.23Å; P371-L388 PolarHBondContact O-N 2.91Å; A373-L388 HydrophobicContact CB-CD2 3.59Å; A373-L388 HydrophobicContact CB-CG 4.22Å; W377-L388 HydrophobicContact CE3-CD2 3.57Å; W377-L388 HydrophobicContact CZ3-CD2 3.61Å
389	G	92.4	Very high	89.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	22%	0.216	C	C	.	.			trans	104.4	-177.5	-171.6	0	0	0	0	0	112.9	K369	K369-G389 CarbonylContact O-C 3.43Å; K369-G389 WeakPolarHBondContact O-CA 3.31Å; K369-G389 PolarHBondContact O-N 3.06Å
390	P	89.4	Confident	90	Very high	53 Å²	53	30.4 Å²	30.4	34%	0.344	21%	0.205	S	C	.	.			cis	-72.4	148.6	6.3	29	-34.3	0	0	0	113.1	E241 K369	E241-P390 HydrophobicContact CB-CB 4.17Å; E241-P390 WeakPolarHBondContact OE2-CB 3.42Å; K369-P390 PolarHBondContact N-O 2.87Å
391	G	87.3	Confident	90.3	Very high	9 Å²	9	31.2 Å²	31.2	9%	0.093	20%	0.202	C	C	.	.			trans	-97.1	-175.1	168.5	0	0	0	0	0	112.7	L242	L242-G391 PolarHBondContact O-N 3.33Å
392	P	86.4	Confident	90.6	Very high	48 Å²	48	35 Å²	35	31%	0.312	22%	0.215	S	C	.	.			trans	-60.2	162.5	172.7	28.3	-38.5	0	0	0	112.7	W210 L242 K367	W210-P392 HydrophobicContact CE3-CB 4.16Å; W210-P392 HydrophobicContact CE3-CG 3.79Å; W210-P392 HydrophobicContact CH2-CG 3.94Å; W210-P392 HydrophobicContact CZ3-CB 4.1Å; W210-P392 HydrophobicContact CZ3-CG 3.25Å; L242-P392 PolarHBondContact N-O 3.24Å; K367-P392 HydrophobicContact CB-CG 3.83Å; K367-P392 WeakPolarHBondContact O-CD 3.17Å
393	G	92.4	Very high	91.4	Very high	19 Å²	19	36.2 Å²	36.2	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	138.3	175.2	0	0	0	0	0	112	V211	V211-G393 PolarHBondContact N-O 2.78Å
394	L	95.8	Very high	92.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.6	174.8	-76.7	169.1	0	0	0	109.7	L208 H209 W210 L221 T239 G240 L242 L267 L293 L364	L208-L394 HydrophobicContact CD1-CB 4.4Å; L208-L394 HydrophobicContact CD1-CD2 4.24Å; L208-L394 HydrophobicContact CG-CD2 4.33Å; H209-L394 CarbonylContact O-C 3.57Å; H209-L394 WeakPolarHBondContact O-CA 3.36Å; H209-L394 WeakPolarHBondContact O-CD2 3.34Å; W210-L394 HydrophobicContact CD2-CD2 3.96Å; W210-L394 HydrophobicContact CE3-CD2 3.34Å; W210-L394 HydrophobicContact CE3-CG 3.99Å; W210-L394 HydrophobicContact CH2-CD2 4.26Å; W210-L394 HydrophobicContact CZ3-CD1 4.34Å; W210-L394 HydrophobicContact CZ3-CD2 3.44Å; W210-L394 VanDerWaalsContact CZ3-CD2 3.44Å; W210-L394 HydrophobicContact CZ3-CG 3.83Å; L221-L394 HydrophobicContact CD1-CD2 3.85Å; T239-L394 VanDerWaalsContact CA-O 3.25Å; T239-L394 WeakPolarHBondContact CA-O 3.42Å; G240-L394 PolarHBondContact N-O 2.74Å; G240-L394 PolarHBondContact O-N 3.48Å; L242-L394 HydrophobicContact CB-CD1 3.98Å; L242-L394 HydrophobicContact CD1-CD1 3.9Å; L242-L394 HydrophobicContact CD2-CD1 4.04Å; L242-L394 HydrophobicContact CG-CD1 4.19Å; L267-L394 HydrophobicContact CD1-CB 3.71Å; L267-L394 WeakPolarHBondContact CD1-O 3.48Å; L293-L394 HydrophobicContact CD1-CD1 4.34Å; L364-L394 HydrophobicContact CD1-CD1 4.49Å; L364-L394 HydrophobicContact CD2-CD1 3.82Å; L364-L394 HydrophobicContact CD2-CD2 4.15Å
395	R	96.3	Very high	92.8	Very high	64 Å²	64	32.9 Å²	32.9	24%	0.242	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.5	169.6	-177.7	176.1	70.9	122.2	6.9	109.3	L208 H209 V211 V238 T239	L208-R395 WeakPolarHBondContact CA-O 3.29Å; H209-R395 HydrophobicContact CB-CB 4.46Å; H209-R395 PolarHBondContact CD2-NH2 3.4Å; H209-R395 PolarHBondContact N-O 3.48Å; H209-R395 PolarHBondContact NE2-NH2 3.44Å; H209-R395 PolarHBondContact O-N 3.32Å; V211-R395 HydrophobicContact CG2-CB 3.55Å; V238-R395 WeakPolarHBondContact O-CA 3.4Å; T239-R395 WeakPolarHBondContact OG1-CG 3.38Å
396	L	96.5	Very high	92.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.6	174.9	171.9	63	0	0	0	108.8	L208 N237 V238 L267 L293 P352 Q354 V398	L208-L396 HydrophobicContact CD1-CB 4.18Å; L208-L396 HydrophobicContact CD1-CD1 4.36Å; N237-L396 WeakPolarHBondContact CA-O 3.34Å; V238-L396 HydrophobicContact CG2-CB 3.98Å; V238-L396 HydrophobicContact CG2-CD2 4.43Å; V238-L396 HydrophobicContact CG2-CG 4.46Å; V238-L396 PolarHBondContact N-O 2.93Å; V238-L396 PolarHBondContact O-N 2.61Å; L267-L396 HydrophobicContact CD1-CB 4.49Å; L293-L396 HydrophobicContact CD2-CD1 4.23Å; L293-L396 HydrophobicContact CD2-CD2 4.12Å; P352-L396 HydrophobicContact CB-CD2 4.07Å; Q354-L396 HydrophobicContact CB-CD1 3.74Å; Q354-L396 HydrophobicContact CB-CD2 4.38Å; Q354-L396 HydrophobicContact CG-CD1 4.24Å; L396-V398 HydrophobicContact CD1-CG2 4.01Å; L396-V398 HydrophobicContact CD2-CG2 4.32Å; L396-V398 HydrophobicContact CG-CG2 4.06Å
397	A	95.8	Very high	92.8	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.033	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	119.7	172.5	0	0	0	0	0	109.3	N206 T207 N237	N206-A397 CarbonylContact C-O 3.57Å; N206-A397 VanDerWaalsContact CA-O 3.29Å; N206-A397 WeakPolarHBondContact CA-O 3.46Å; T207-A397 PolarHBondContact N-O 3.37Å; T207-A397 PolarHBondContact O-N 2.92Å; T207-A397 WeakPolarHBondContact OG1-CB 3.34Å; N237-A397 WeakPolarHBondContact OD1-CA 3.48Å; N237-A397 WeakPolarHBondContact OD1-CB 3.43Å
398	V	96.3	Very high	92.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.4	175.2	178.1	0	0	0	0	109.3	I235 G236 P352 Q354 L396	I235-V398 WeakPolarHBondContact CA-O 3.12Å; I235-V398 WeakPolarHBondContact CG2-O 3.34Å; G236-V398 PolarHBondContact N-O 3.34Å; G236-V398 PolarHBondContact O-N 2.91Å; P352-V398 HydrophobicContact CB-CB 4.1Å; P352-V398 HydrophobicContact CB-CG2 3.72Å; Q354-V398 HydrophobicContact CB-CG2 4.44Å; L396-V398 HydrophobicContact CD1-CG2 4.01Å; L396-V398 HydrophobicContact CD2-CG2 4.32Å; L396-V398 HydrophobicContact CG-CG2 4.06Å
399	N	94.9	Very high	92.9	Very high	44 Å²	44	31.2 Å²	31.2	24%	0.235	18%	0.176	C	C	.	.			trans	-132.7	50.6	-169.4	-63	-48.5	0	0	0	110.1	D201 H204 P205 N206	D201-N399 WeakPolarHBondContact CB-O 3.44Å; D201-N399 PolarHBondContact N-O 2.78Å; D201-N399 VanDerWaalsContact N-O 3.11Å; H204-N399 HydrophobicContact CB-CB 4.21Å; H204-N399 WeakPolarHBondContact O-CB 3.35Å; H204-N399 PolarHBondContact O-ND2 3.11Å; P205-N399 PolarHBondContact O-ND2 3.16Å; P205-N399 VanDerWaalsContact O-ND2 3.12Å; N206-N399 PolarHBondContact OD1-N 2.79Å
400	N	94.4	Very high	93.2	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	141.4	174.2	-58.8	-21.2	0	0	0	109.5	Q198 F199 N206 C230 I235	Q198-N400 HydrophobicContact CG-CB 3.67Å; Q198-N400 VanDerWaalsContact NE2-CB 3.33Å; Q198-N400 PolarHBondContact NE2-O 2.9Å; F199-N400 CarbonylContact O-C 3.58Å; F199-N400 VanDerWaalsContact O-CA 3.28Å; F199-N400 WeakPolarHBondContact O-CA 3.28Å; N206-N400 PolarHBondContact ND2-OD1 3.34Å; N206-N400 PolarHBondContact OD1-OD1 3.38Å; C230-N400 PolarHBondContact O-ND2 2.58Å; I235-N400 WeakPolarHBondContact CD1-O 3.47Å; I235-N400 VanDerWaalsContact CG1-O 3.29Å; I235-N400 WeakPolarHBondContact CG1-O 3.32Å
401	H	92	Very high	93.6	Very high	70 Å²	70	28.7 Å²	28.7	32%	0.324	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	147.7	178.5	69.2	-84.2	0	0	0	111.7	Q198 F199 P200 T403	Q198-H401 CarbonylContact C-O 3.56Å; Q198-H401 VanDerWaalsContact CA-O 3.31Å; Q198-H401 WeakPolarHBondContact CA-O 3.46Å; Q198-H401 WeakPolarHBondContact CG-O 3.48Å; F199-H401 PolarHBondContact N-O 2.95Å; F199-H401 PolarHBondContact O-N 3.24Å; F199-H401 PolarHBondContact O-ND1 2.84Å; P200-H401 PolarHBondContact O-CE1 2.9Å; P200-H401 VanDerWaalsContact O-CE1 3.31Å; P200-H401 PolarHBondContact O-ND1 3.33Å; H401-T403 PolarHBondContact CD2-OG1 2.85Å; H401-T403 PolarHBondContact NE2-OG1 2.86Å
402	R	91.3	Very high	94.1	Very high	107 Å²	107	28.3 Å²	28.3	40%	0.404	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	133.9	176.2	-178	-176.9	174.2	-178.9	2.2	110	L197 Y328	L197-R402 CarbonylContact O-C 3.56Å; L197-R402 WeakPolarHBondContact O-CA 3.32Å; Y328-R402 VanDerWaalsContact CD1-NH1 3.27Å; Y328-R402 VanDerWaalsContact CD2-NH2 3.33Å; Y328-R402 HydrophobicContact CE2-CG 4.33Å; Y328-R402 VanDerWaalsContact CG-NH2 3.32Å
403	T	90.1	Very high	94.7	Very high	52 Å²	52	26 Å²	26	32%	0.319	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.6	177.3	-60.5	0	0	0	0	109.5	L197 H401 T405	L197-T403 PolarHBondContact N-O 3.4Å; L197-T403 VanDerWaalsContact N-O 3.08Å; L197-T403 PolarHBondContact O-N 2.95Å; H401-T403 PolarHBondContact CD2-OG1 2.85Å; H401-T403 PolarHBondContact NE2-OG1 2.86Å; T403-T405 PolarHBondContact O-N 2.83Å
404	S	90.3	Very high	94.9	Very high	86 Å²	86	25.4 Å²	25.4	60%	0.601	13%	0.133	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	108.7	172.4	-177.8	0	0	0	0	108.8
405	T	91.7	Very high	95	Very high	8 Å²	8	29.2 Å²	29.2	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129	-172.4	-61.3	0	0	0	0	110.5	V195 L197 T403 I407	V195-T405 WeakPolarHBondContact CG2-O 3.49Å; V195-T405 PolarHBondContact N-O 2.92Å; V195-T405 PolarHBondContact O-N 3.2Å; L197-T405 HydrophobicContact CD1-CG2 3.93Å; T403-T405 PolarHBondContact O-N 2.83Å; T405-I407 PolarHBondContact O-N 2.94Å
406	P	92.2	Very high	95	Very high	53 Å²	53	26.4 Å²	26.4	34%	0.344	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	125.9	171.7	30.2	-32.3	0	0	0	110.2	T192 H193 Y194	T192-P406 HydrophobicContact CG2-CB 4.35Å; H193-P406 CarbonylContact O-C 3.6Å; H193-P406 WeakPolarHBondContact O-CA 3.46Å; Y194-P406 HydrophobicContact CD1-CB 4.16Å; Y194-P406 HydrophobicContact CE1-CB 3.91Å
407	I	93.6	Very high	94.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.3	170.7	62.1	170.3	0	0	0	109.4	T192 H193 V195 L197 T405 D474 V481	T192-I407 WeakPolarHBondContact CA-O 3.49Å; H193-I407 HydrophobicContact CB-CD1 4.1Å; H193-I407 HydrophobicContact CB-CG1 3.76Å; H193-I407 PolarHBondContact N-O 3.08Å; H193-I407 WeakPolarHBondContact O-CG1 3.43Å; H193-I407 PolarHBondContact O-N 2.94Å; V195-I407 HydrophobicContact CG1-CD1 3.88Å; V195-I407 HydrophobicContact CG1-CG1 4.27Å; V195-I407 HydrophobicContact CG2-CB 4.38Å; V195-I407 HydrophobicContact CG2-CD1 3.87Å; V195-I407 HydrophobicContact CG2-CG1 3.94Å; V195-I407 HydrophobicContact CG2-CG2 3.63Å; L197-I407 HydrophobicContact CD1-CG2 4.37Å; T405-I407 PolarHBondContact O-N 2.94Å; I407-D474 HydrophobicContact CB-CB 4.04Å; I407-V481 HydrophobicContact CD1-CB 4.3Å; I407-V481 HydrophobicContact CD1-CG1 3.69Å
408	N	95.1	Very high	94.7	Very high	36 Å²	36	36 Å²	36	19%	0.193	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	106.4	-173.2	-63.6	-79.5	0	0	0	111.7	T173 T190 T192 R430 D474	T173-N408 HydrophobicContact CG2-CB 3.83Å; T190-N408 HydrophobicContact CG2-CB 3.98Å; T192-N408 WeakPolarHBondContact CG2-OD1 3.5Å; T192-N408 PolarHBondContact OG1-OD1 3.21Å; N408-R430 PolarHBondContact O-NH1 2.83Å; N408-R430 PolarHBondContact O-NH2 2.65Å; N408-D474 PolarHBondContact N-OD2 2.9Å
409	N	96.9	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.2	170.4	-62.5	-35.3	0	0	0	109.3	T190 D191 F411 S472 W473 D474 G482	T190-N409 CarbonylContact C-O 3.54Å; T190-N409 VanDerWaalsContact CA-O 3.29Å; T190-N409 WeakPolarHBondContact CA-O 3.32Å; T190-N409 WeakPolarHBondContact CG2-O 3.46Å; D191-N409 HydrophobicContact CB-CB 4.3Å; D191-N409 PolarHBondContact N-O 3.4Å; D191-N409 PolarHBondContact O-N 2.65Å; N409-F411 HydrophobicContact CB-CD2 4.42Å; N409-F411 HydrophobicContact CB-CE2 3.52Å; N409-F411 HydrophobicContact CB-CZ 4.03Å; N409-S472 WeakPolarHBondContact CA-O 3.47Å; N409-W473 HydrophobicContact CB-CE3 4.13Å; N409-W473 HydrophobicContact CB-CZ3 4.29Å; N409-D474 PolarHBondContact OD1-N 2.77Å; N409-D474 VanDerWaalsContact OD1-N 3.16Å; N409-G482 PolarHBondContact ND2-O 3.12Å
410	I	98	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.5	-179.5	-47.8	167.8	0	0	0	108.9	T173 I176 R177 L180 I471 S472	T173-I410 HydrophobicContact CG2-CD1 3.81Å; T173-I410 HydrophobicContact CG2-CG1 4.16Å; T173-I410 WeakPolarHBondContact O-CD1 3.27Å; I176-I410 HydrophobicContact CB-CD1 3.89Å; I176-I410 HydrophobicContact CG2-CD1 3.66Å; R177-I410 HydrophobicContact CB-CD1 4.48Å; R177-I410 HydrophobicContact CB-CG2 4.28Å; R177-I410 HydrophobicContact CG-CG2 4.48Å; L180-I410 HydrophobicContact CD1-CG2 3.62Å; I410-I471 CarbonylContact O-C 3.32Å; I410-I471 WeakPolarHBondContact O-CA 3.23Å; I410-S472 PolarHBondContact N-O 3.43Å; I410-S472 PolarHBondContact O-N 3.34Å
411	F	98.2	Very high	94.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.7	-175.7	-63.2	-103.4	0	0	0	111	V188 W189 D191 N409 L469 F470 I471 W473 W486	V188-F411 VanDerWaalsContact CA-O 3.31Å; V188-F411 WeakPolarHBondContact CA-O 3.32Å; W189-F411 HydrophobicContact CD2-CB 3.54Å; W189-F411 HydrophobicContact CD2-CG 4.19Å; W189-F411 AromaticContact CE2-CD2 3.93Å; W189-F411 AromaticContact CE2-CG 3.51Å; W189-F411 HydrophobicContact CE3-CB 3.77Å; W189-F411 HydrophobicContact CG-CB 4.22Å; W189-F411 HydrophobicContact CH2-CB 3.67Å; W189-F411 HydrophobicContact CH2-CD1 4.31Å; W189-F411 HydrophobicContact CH2-CG 4.25Å; W189-F411 HydrophobicContact CZ2-CB 3.41Å; W189-F411 VanDerWaalsContact CZ2-CB 3.41Å; W189-F411 AromaticContact CZ2-CD1 3.64Å; W189-F411 HydrophobicContact CZ2-CD1 3.64Å; W189-F411 HydrophobicContact CZ2-CD2 4.36Å; W189-F411 AromaticContact CZ2-CG 3.56Å; W189-F411 HydrophobicContact CZ2-CG 3.56Å; W189-F411 HydrophobicContact CZ3-CB 3.82Å; W189-F411 PolarHBondContact N-O 2.72Å; W189-F411 VanDerWaalsContact N-O 3.14Å; W189-F411 AromaticContact NE1-CD2 3.55Å; W189-F411 AromaticContact NE1-CG 3.64Å; W189-F411 PolarHBondContact O-N 3.03Å; D191-F411 HydrophobicContact CB-CD2 4.35Å; D191-F411 HydrophobicContact CB-CE2 3.59Å; D191-F411 HydrophobicContact CB-CZ 4.39Å; N409-F411 HydrophobicContact CB-CD2 4.42Å; N409-F411 HydrophobicContact CB-CE2 3.52Å; N409-F411 HydrophobicContact CB-CZ 4.03Å; F411-L469 HydrophobicContact CD1-CD1 4.12Å; F411-L469 HydrophobicContact CD1-CD2 4.47Å; F411-L469 HydrophobicContact CD1-CG 4.45Å; F411-F470 CarbonylContact C-O 3.57Å; F411-F470 WeakPolarHBondContact CA-O 3.22Å; F411-I471 HydrophobicContact CD1-CB 4.38Å; F411-I471 HydrophobicContact CD1-CD1 3.89Å; F411-I471 HydrophobicContact CD1-CG1 3.67Å; F411-I471 HydrophobicContact CD1-CG2 3.95Å; F411-I471 HydrophobicContact CE1-CB 4.42Å; F411-I471 HydrophobicContact CE1-CD1 3.56Å; F411-I471 HydrophobicContact CE1-CG1 3.82Å; F411-I471 HydrophobicContact CE1-CG2 3.73Å; F411-I471 HydrophobicContact CE2-CG2 4.38Å; F411-I471 HydrophobicContact CG-CG2 4.39Å; F411-I471 HydrophobicContact CZ-CG2 3.94Å; F411-W473 HydrophobicContact CE1-CH2 4.41Å; F411-W473 HydrophobicContact CZ-CH2 4.39Å; F411-W473 HydrophobicContact CZ-CZ3 4.07Å; F411-W486 AromaticContact CE1-CD1 3.98Å; F411-W486 HydrophobicContact CE1-CD2 4.42Å; F411-W486 AromaticContact CE1-CE2 3.9Å; F411-W486 HydrophobicContact CE1-CG 4.45Å; F411-W486 HydrophobicContact CE1-CZ2 4.36Å; F411-W486 AromaticContact CE1-NE1 3.62Å; F411-W486 AromaticContact CZ-CD1 3.56Å; F411-W486 HydrophobicContact CZ-CG 4.08Å; F411-W486 AromaticContact CZ-NE1 3.69Å
412	G	97.9	Very high	94.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	134.9	166.2	0	0	0	0	0	109.8	H187 F470	H187-G412 CarbonylContact O-C 3.52Å; H187-G412 WeakPolarHBondContact O-CA 3.3Å; G412-F470 PolarHBondContact N-O 2.93Å; G412-F470 PolarHBondContact O-N 2.88Å
413	C	98.1	Very high	95.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.007	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	135.2	-177.7	-172.3	0	0	0	0	111.3	P50 D186 H187 W189 L468 L469	P50-C413 HydrophobicContact CG-CB 4.26Å; D186-C413 PolarHBondContact N-O 2.9Å; H187-C413 HydrophobicContact CB-CB 4.13Å; H187-C413 PolarHBondContact N-O 3.22Å; H187-C413 PolarHBondContact O-N 3.45Å; W189-C413 HydrophobicContact CH2-CB 4.2Å; W189-C413 HydrophobicContact CZ3-CB 3.84Å; C413-L468 WeakPolarHBondContact CA-O 3.41Å; C413-L469 HydrophobicContact CB-CD1 4.19Å
414	I	98	Very high	95.6	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.026	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.5	161.9	-60.7	175.6	0	0	0	106.5	L185 D186 F454 V458 P464 S467 L468 F470	L185-I414 HydrophobicContact CD2-CD1 3.96Å; L185-I414 HydrophobicContact CD2-CG1 3.65Å; D186-I414 WeakPolarHBondContact OD2-CA 3.38Å; I414-F454 HydrophobicContact CD1-CB 3.76Å; I414-V458 HydrophobicContact CD1-CG2 4.38Å; I414-V458 HydrophobicContact CG2-CG2 3.86Å; I414-P464 HydrophobicContact CG2-CG 3.88Å; I414-S467 CarbonylContact O-C 3.56Å; I414-S467 VanDerWaalsContact O-CA 3.29Å; I414-S467 WeakPolarHBondContact O-CA 3.33Å; I414-L468 HydrophobicContact CB-CB 4.3Å; I414-L468 PolarHBondContact N-O 2.91Å; I414-L468 PolarHBondContact O-N 2.95Å; I414-F470 HydrophobicContact CD1-CE2 3.91Å; I414-F470 HydrophobicContact CD1-CZ 4.45Å; I414-F470 HydrophobicContact CG1-CE2 4.17Å
415	E	97.3	Very high	96	Very high	80 Å²	80	24 Å²	24	37%	0.374	13%	0.125	S	C	.	.			trans	-74.9	132.8	-174.3	-162.9	-178.4	-176.6	0	0	111.7	D186 P420	D186-E415 HydrophobicContact CB-CB 4.34Å; D186-E415 PolarHBondContact OD2-N 2.9Å; E415-P420 HydrophobicContact CG-CB 3.9Å
416	G	96.1	Very high	96.3	Very high	5 Å²	5	23.7 Å²	23.7	5%	0.052	12%	0.123	C	C	.	.			trans	-69.8	149.9	174.1	0	0	0	0	0	112.2	P420 P464 S467	G416-P420 WeakPolarHBondContact O-CB 3.31Å; G416-P464 CarbonylContact C-O 3.55Å; G416-P464 WeakPolarHBondContact CA-O 3.36Å; G416-S467 PolarHBondContact N-OG 3.43Å
417	R	93.6	Very high	96.6	Very high	151 Å²	151	21.1 Å²	21.1	57%	0.57	11%	0.107	S	C	*	.	S	Bend	trans	-89.7	-29.7	-177.4	-62.4	-58.8	-177.8	-176.1	-7.4	114.9	R463 P464 R465	R417-R463 HydrophobicContact CG-CB 4Å; R417-R463 HydrophobicContact CG-CG 4.4Å; R417-P464 PolarHBondContact N-O 3.43Å; R417-R465 PolarHBondContact N-O 2.85Å
418	S	92.4	Very high	96.8	Very high	54 Å²	54	21.1 Å²	21.1	38%	0.378	11%	0.107	S	C	.	.	S	Bend	trans	-113.9	-31.3	-177.6	-43.3	0	0	0	0	113	P420 R465	S418-P420 VanDerWaalsContact C-CD 3.44Å; S418-R465 VanDerWaalsContact CB-NH1 3.35Å; S418-R465 PolarHBondContact N-O 2.92Å; S418-R465 PolarHBondContact OG-NH1 3.06Å
419	E	95.3	Very high	96.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	62.1	178.9	-66.6	175.2	-152	0	0	109	D421 H422 R465 R466	E419-D421 PolarHBondContact O-N 3.13Å; E419-D421 VanDerWaalsContact O-N 3.16Å; E419-H422 HydrophobicContact CB-CB 4.22Å; E419-H422 PolarHBondContact O-N 3.17Å; E419-H422 VanDerWaalsContact O-N 3.11Å; E419-H422 IonicContact OE2-CE1 3.91Å; E419-H422 IonicContact OE2-CG 2.87Å; E419-H422 IonicContact OE2-ND1 2.84Å; E419-H422 PolarHBondContact OE2-ND1 3.48Å; E419-R465 CarbonylContact C-O 3.6Å; E419-R465 PolarHBondContact N-O 3.3Å; E419-R465 IonicContact OE1-CZ 3.77Å; E419-R465 VanDerWaalsContact OE1-CZ 3.25Å; E419-R465 IonicContact OE1-NE 3.75Å; E419-R465 PolarHBondContact OE1-NE 3.05Å; E419-R465 IonicContact OE1-NH2 2.73Å; E419-R465 PolarHBondContact OE1-NH2 3.31Å; E419-R466 HydrophobicContact CB-CG 4.05Å; E419-R466 IonicContact OE1-NH2 3.69Å; E419-R466 IonicContact OE2-CZ 3.57Å; E419-R466 IonicContact OE2-NE 3.12Å; E419-R466 PolarHBondContact OE2-NE 2.98Å; E419-R466 IonicContact OE2-NH2 3.1Å
420	P	95.8	Very high	96.9	Very high	45 Å²	45	19.8 Å²	19.8	29%	0.292	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	-22.4	-177.5	24.5	-34.1	0	0	0	113.3	E415 G416 S418 S467	E415-P420 HydrophobicContact CG-CB 3.9Å; G416-P420 WeakPolarHBondContact O-CB 3.31Å; S418-P420 VanDerWaalsContact C-CD 3.44Å; P420-S467 WeakPolarHBondContact CA-OG 3.33Å; P420-S467 PolarHBondContact O-OG 3.11Å
421	D	95.1	Very high	96.8	Very high	57 Å²	57	19.8 Å²	19.8	31%	0.305	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-6.2	-179.9	65.7	-54.4	0	0	0	114.2	E419 Y423 R701	E419-D421 PolarHBondContact O-N 3.13Å; E419-D421 VanDerWaalsContact O-N 3.16Å; D421-Y423 VanDerWaalsContact O-CE2 3.27Å; D421-Y423 WeakPolarHBondContact O-CE2 3.25Å; D421-R701 IonicContact OD1-CZ 2.71Å; D421-R701 IonicContact OD1-NH1 3.28Å; D421-R701 PolarHBondContact OD1-NH1 3.36Å; D421-R701 IonicContact OD1-NH2 3.59Å; D421-R701 PolarHBondContact OD1-NH2 2.83Å; D421-R701 IonicContact OD2-CZ 3.22Å; D421-R701 IonicContact OD2-NH2 2.93Å; D421-R701 PolarHBondContact OD2-NH2 3.42Å
422	H	96.6	Very high	96.6	Very high	4 Å²	4	20 Å²	20	2%	0.019	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.3	171.2	-69.1	168.1	0	0	0	110.3	E419 R466 S467 K497 V499	E419-H422 HydrophobicContact CB-CB 4.22Å; E419-H422 PolarHBondContact O-N 3.17Å; E419-H422 VanDerWaalsContact O-N 3.11Å; E419-H422 IonicContact OE2-CE1 3.91Å; E419-H422 IonicContact OE2-CG 2.87Å; E419-H422 IonicContact OE2-ND1 2.84Å; E419-H422 PolarHBondContact OE2-ND1 3.48Å; H422-R466 HydrophobicContact CB-CB 4.38Å; H422-R466 HydrophobicContact CB-CG 4.13Å; H422-R466 WeakPolarHBondContact O-CB 3.34Å; H422-S467 PolarHBondContact O-N 2.83Å; H422-K497 CarbonylContact C-O 3.53Å; H422-K497 VanDerWaalsContact CA-O 3.25Å; H422-K497 WeakPolarHBondContact CA-O 3.49Å; H422-V499 HydrophobicContact CB-CG2 3.92Å
423	Y	97.1	Very high	96.4	Very high	6 Å²	6	21.2 Å²	21.2	2%	0.024	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	129.1	-174.4	-55.2	-88	0	0	0	111.4	P50 M51 D421 S467 L469 K497 A498 V499	P50-Y423 HydrophobicContact CB-CE1 3.85Å; P50-Y423 WeakPolarHBondContact CB-OH 3.46Å; M51-Y423 HydrophobicContact CE-CD1 3.82Å; M51-Y423 HydrophobicContact CE-CD2 3.39Å; M51-Y423 HydrophobicContact CE-CE1 3.95Å; M51-Y423 HydrophobicContact CE-CE2 3.52Å; M51-Y423 HydrophobicContact CE-CG 3.55Å; M51-Y423 HydrophobicContact CG-CE2 4.31Å; M51-Y423 HydrophobicContact SD-CD2 3.97Å; M51-Y423 HydrophobicContact SD-CE2 3.8Å; D421-Y423 VanDerWaalsContact O-CE2 3.27Å; D421-Y423 WeakPolarHBondContact O-CE2 3.25Å; Y423-S467 CarbonylContact C-O 3.56Å; Y423-S467 WeakPolarHBondContact CA-O 3.46Å; Y423-L469 HydrophobicContact CD1-CB 4.35Å; Y423-K497 HydrophobicContact CD2-CB 3.86Å; Y423-K497 HydrophobicContact CE2-CB 4.01Å; Y423-K497 HydrophobicContact CE2-CD 4.21Å; Y423-K497 PolarHBondContact N-O 3.22Å; Y423-A498 CarbonylContact O-C 3.59Å; Y423-A498 WeakPolarHBondContact O-CA 3.39Å; Y423-V499 WeakPolarHBondContact O-CB 3.31Å; Y423-V499 PolarHBondContact O-N 3.42Å
424	V	98.4	Very high	96	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.1	159.9	-170.7	0	0	0	0	106.6	R466 S467 L468 L469 L627 L630	V424-R466 HydrophobicContact CG2-CB 4.45Å; V424-S467 PolarHBondContact N-O 3Å; V424-L468 HydrophobicContact CB-CD2 3.98Å; V424-L468 HydrophobicContact CG2-CD2 4.49Å; V424-L469 PolarHBondContact O-N 2.91Å; V424-L627 HydrophobicContact CB-CD2 4.39Å; V424-L627 HydrophobicContact CG1-CD2 3.41Å; V424-L627 VanDerWaalsContact CG1-CD2 3.41Å; V424-L630 HydrophobicContact CG1-CB 3.94Å; V424-L630 HydrophobicContact CG1-CD1 3.82Å; V424-L630 HydrophobicContact CG2-CB 3.73Å
425	V	98.4	Very high	95.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.8	-171.5	-171	0	0	0	0	109.2	L469 I471 A498 V500 Y501 V502	V425-L469 CarbonylContact C-O 3.53Å; V425-L469 WeakPolarHBondContact CA-O 3.33Å; V425-L469 HydrophobicContact CG1-CD2 4.41Å; V425-L469 HydrophobicContact CG2-CB 4.39Å; V425-L469 HydrophobicContact CG2-CD2 4.28Å; V425-I471 HydrophobicContact CG1-CD1 3.37Å; V425-I471 HydrophobicContact CG1-CG1 4.15Å; V425-A498 HydrophobicContact CG2-CB 4.2Å; V425-V500 PolarHBondContact N-O 3.49Å; V425-Y501 HydrophobicContact CB-CD2 4Å; V425-Y501 HydrophobicContact CG1-CD2 3.72Å; V425-Y501 HydrophobicContact CG1-CE2 4.19Å; V425-Y501 CarbonylContact O-C 3.52Å; V425-Y501 WeakPolarHBondContact O-CA 3.37Å; V425-V502 PolarHBondContact O-N 3.28Å
426	I	98.6	Very high	95.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.1	172	-175.7	163.9	0	0	0	110.1	L447 L450 L469 F470 I471 V502 L504 A623 L627	I426-L447 HydrophobicContact CG1-CD1 4.24Å; I426-L447 HydrophobicContact CG2-CD1 4.12Å; I426-L450 HydrophobicContact CD1-CD1 3.57Å; I426-L469 PolarHBondContact N-O 3.29Å; I426-F470 HydrophobicContact CG2-CB 4.3Å; I426-F470 HydrophobicContact CG2-CD1 3.25Å; I426-F470 HydrophobicContact CG2-CE1 3.73Å; I426-F470 HydrophobicContact CG2-CG 3.94Å; I426-F470 CarbonylContact O-C 3.57Å; I426-F470 WeakPolarHBondContact O-CA 3.39Å; I426-I471 PolarHBondContact O-N 2.94Å; I426-V502 CarbonylContact C-O 3.54Å; I426-V502 VanDerWaalsContact CA-O 3.29Å; I426-V502 WeakPolarHBondContact CA-O 3.39Å; I426-V502 HydrophobicContact CB-CB 4.27Å; I426-V502 HydrophobicContact CD1-CB 4.4Å; I426-V502 HydrophobicContact CD1-CG1 4.2Å; I426-V502 HydrophobicContact CG1-CB 4.1Å; I426-V502 HydrophobicContact CG1-CG1 4.28Å; I426-L504 HydrophobicContact CD1-CD1 3.8Å; I426-L504 HydrophobicContact CD1-CD2 4.21Å; I426-L504 HydrophobicContact CD1-CG 4.02Å; I426-L504 HydrophobicContact CG1-CD1 3.96Å; I426-L504 HydrophobicContact CG1-CG 4.07Å; I426-A623 HydrophobicContact CD1-CB 4.34Å; I426-L627 HydrophobicContact CB-CD1 4.38Å; I426-L627 HydrophobicContact CB-CD2 4.3Å; I426-L627 HydrophobicContact CD1-CD1 3.76Å; I426-L627 HydrophobicContact CD1-CG 4.41Å; I426-L627 HydrophobicContact CG2-CD1 4.14Å
427	G	98.2	Very high	95.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149	-173.4	0	0	0	0	0	113	I471 V502 L504	G427-I471 CarbonylContact C-O 3.21Å; G427-I471 VanDerWaalsContact CA-O 3.27Å; G427-I471 WeakPolarHBondContact CA-O 3.49Å; G427-V502 PolarHBondContact N-O 3.41Å; G427-L504 PolarHBondContact O-N 2.97Å
428	A	97.8	Very high	95.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	130.2	166.2	0	0	0	0	0	110.7	R430 L447 I471 S472 W473 L504	A428-R430 PolarHBondContact O-N 3.5Å; A428-L447 HydrophobicContact CB-CB 4.09Å; A428-L447 HydrophobicContact CB-CD2 4.03Å; A428-I471 PolarHBondContact N-O 2.9Å; A428-S472 WeakPolarHBondContact O-CA 3.45Å; A428-W473 PolarHBondContact O-N 2.88Å; A428-L504 HydrophobicContact CB-CB 4.07Å
429	Q	97	Very high	95.9	Very high	7 Å²	7	10.3 Å²	10.3	3%	0.033	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	131.3	167.2	-179.5	179.2	-7.3	0	0	109.4	D431 S440 T444 D477 D505	Q429-D431 WeakPolarHBondContact CG-O 3.2Å; Q429-D431 WeakPolarHBondContact CG-OD1 3.3Å; Q429-D431 PolarHBondContact NE2-O 2.85Å; Q429-S440 WeakPolarHBondContact O-CB 3.47Å; Q429-S440 PolarHBondContact O-OG 3.19Å; Q429-T444 PolarHBondContact O-OG1 2.94Å; Q429-D477 PolarHBondContact NE2-OD1 3.08Å; Q429-D505 VanDerWaalsContact CB-OD1 3.25Å; Q429-D505 WeakPolarHBondContact CB-OD1 3.3Å; Q429-D505 PolarHBondContact N-OD1 3.16Å
430	R	96.4	Very high	95.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.			trans	-102	-35.3	177.9	-174	178.7	61.6	-112	2.7	113.2	R162 M169 L172 T173 I176 N408 A428 S440 S472 W473 D474	R162-R430 PolarHBondContact NE-O 3.48Å; R162-R430 PolarHBondContact NH2-O 3.3Å; M169-R430 HydrophobicContact CE-CG 4.16Å; M169-R430 HydrophobicContact SD-CG 4Å; M169-R430 PolarHBondContact SD-NE 2.86Å; L172-R430 HydrophobicContact CD2-CG 3.78Å; L172-R430 HydrophobicContact CG-CG 4.31Å; T173-R430 PolarHBondContact OG1-NH2 3.2Å; I176-R430 HydrophobicContact CD1-CG 3.91Å; N408-R430 PolarHBondContact O-NH1 2.83Å; N408-R430 PolarHBondContact O-NH2 2.65Å; A428-R430 PolarHBondContact O-N 3.5Å; R430-S440 WeakPolarHBondContact CA-OG 3.38Å; R430-S440 PolarHBondContact O-OG 3.1Å; R430-S472 PolarHBondContact NH1-O 3.25Å; R430-S472 VanDerWaalsContact NH1-O 3.14Å; R430-S472 PolarHBondContact NH1-OG 3.41Å; R430-W473 WeakPolarHBondContact CB-O 3.33Å; R430-W473 PolarHBondContact N-O 2.83Å; R430-D474 VanDerWaalsContact NH2-CG 3.34Å; R430-D474 IonicContact NH2-OD2 3.75Å; R430-D474 PolarHBondContact NH2-OD2 3.23Å; R430-D474 VanDerWaalsContact NH2-OD2 3.08Å
431	D	96.3	Very high	96	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	5%	0.046	C	C	.	.			trans	-78.6	152.7	-179.1	66.1	-61.9	0	0	0	112.9	R162 A164 M169 Q429 G475 G476 D477	R162-D431 CarbonylContact O-C 3.52Å; R162-D431 WeakPolarHBondContact O-CA 3.3Å; R162-D431 WeakPolarHBondContact O-CB 3.45Å; A164-D431 HydrophobicContact CB-CB 4.12Å; M169-D431 VanDerWaalsContact CE-CA 3.4Å; M169-D431 HydrophobicContact CE-CB 3.73Å; Q429-D431 WeakPolarHBondContact CG-O 3.2Å; Q429-D431 WeakPolarHBondContact CG-OD1 3.3Å; Q429-D431 PolarHBondContact NE2-O 2.85Å; D431-G475 VanDerWaalsContact CG-N 3.25Å; D431-G475 PolarHBondContact OD1-N 2.97Å; D431-G475 VanDerWaalsContact OD1-N 3.08Å; D431-G475 WeakPolarHBondContact OD2-CA 3.27Å; D431-G475 PolarHBondContact OD2-N 2.79Å; D431-G476 PolarHBondContact OD1-N 3.06Å; D431-G476 PolarHBondContact OD2-N 3.32Å; D431-D477 PolarHBondContact OD2-N 2.84Å
432	S	95.3	Very high	96.1	Very high	3 Å²	3	5.5 Å²	5.5	2%	0.021	3%	0.032	C	C	.	.			trans	-156.6	147.8	170.6	57	0	0	0	0	110.2	R162 V163 G434 G436 D477	R162-S432 CarbonylContact C-O 3.59Å; R162-S432 VanDerWaalsContact CB-OG 3.27Å; R162-S432 WeakPolarHBondContact CB-OG 3.36Å; R162-S432 PolarHBondContact O-N 2.96Å; R162-S432 VanDerWaalsContact O-O 3.12Å; V163-S432 WeakPolarHBondContact CA-O 3.45Å; V163-S432 PolarHBondContact N-O 2.97Å; S432-G434 PolarHBondContact OG-O 3.43Å; S432-G436 WeakPolarHBondContact OG-CA 3.1Å; S432-D477 VanDerWaalsContact CA-OD2 3.25Å; S432-D477 WeakPolarHBondContact CA-OD2 3.43Å
433	W	92.2	Very high	96.1	Very high	27 Å²	27	5.5 Å²	5.5	10%	0.102	3%	0.032	C	C	.	.	S	Bend	trans	-64.9	-41.1	176.2	177.9	81	0	0	0	112.2	V163 D227 V228 Y229 Y317 D477 K597	V163-W433 WeakPolarHBondContact CG2-O 3.43Å; D227-W433 HydrophobicContact CB-CZ2 4.14Å; D227-W433 WeakPolarHBondContact O-CZ2 3.37Å; V228-W433 HydrophobicContact CB-CH2 4.27Å; V228-W433 HydrophobicContact CB-CZ2 4.21Å; V228-W433 HydrophobicContact CG2-CH2 3.23Å; V228-W433 HydrophobicContact CG2-CZ2 3.59Å; V228-W433 HydrophobicContact CG2-CZ3 4.04Å; Y229-W433 AromaticContact CE1-NE1 3.86Å; Y317-W433 HydrophobicContact CD1-CB 3.86Å; Y317-W433 HydrophobicContact CD1-CG 4.18Å; Y317-W433 HydrophobicContact CD2-CB 4.02Å; Y317-W433 AromaticContact CD2-CD1 3.37Å; Y317-W433 AromaticContact CD2-CD2 3.89Å; Y317-W433 HydrophobicContact CD2-CD2 3.89Å; Y317-W433 AromaticContact CD2-CG 3.47Å; Y317-W433 HydrophobicContact CD2-CG 3.47Å; Y317-W433 VanDerWaalsContact CD2-CG 3.47Å; Y317-W433 AromaticContact CD2-NE1 3.74Å; Y317-W433 HydrophobicContact CE1-CB 3.99Å; Y317-W433 HydrophobicContact CE1-CG 4.48Å; Y317-W433 HydrophobicContact CE2-CB 4.13Å; Y317-W433 AromaticContact CE2-CD1 3.41Å; Y317-W433 VanDerWaalsContact CE2-CD1 3.41Å; Y317-W433 AromaticContact CE2-CG 3.8Å; Y317-W433 HydrophobicContact CE2-CG 3.8Å; Y317-W433 HydrophobicContact CG-CB 3.85Å; Y317-W433 AromaticContact CG-CD2 3.96Å; Y317-W433 HydrophobicContact CG-CD2 3.96Å; Y317-W433 HydrophobicContact CG-CE3 4.42Å; Y317-W433 AromaticContact CG-CG 3.66Å; Y317-W433 HydrophobicContact CG-CG 3.66Å; W433-D477 PolarHBondContact N-OD2 3.39Å; W433-K597 HydrophobicContact CE3-CG 4.48Å; W433-K597 HydrophobicContact CH2-CD 3.89Å; W433-K597 HydrophobicContact CH2-CG 3.7Å; W433-K597 HydrophobicContact CZ3-CB 4.46Å; W433-K597 HydrophobicContact CZ3-CD 4.35Å; W433-K597 HydrophobicContact CZ3-CG 3.65Å
434	G	91.2	Very high	96.1	Very high	12 Å²	12	5.2 Å²	5.2	12%	0.124	3%	0.031	C	C	.	.	S	Bend	trans	-99.4	-163.6	171.7	0	0	0	0	0	112.8	S432 G436	S432-G434 PolarHBondContact OG-O 3.43Å; G434-G436 PolarHBondContact O-N 3.47Å
435	P	93.2	Very high	96	Very high	37 Å²	37	5.2 Å²	5.2	24%	0.24	3%	0.031	C	C	.	.			trans	-59	-28.8	173.6	-21.7	33.1	0	0	0	113.1	R162 A437 K597 T600	R162-P435 WeakPolarHBondContact CD-O 3.26Å; P435-A437 PolarHBondContact O-N 2.91Å; P435-K597 WeakPolarHBondContact CD-O 3.26Å; P435-T600 HydrophobicContact CG-CG2 4.15Å
436	G	95.1	Very high	96	Very high	2 Å²	2	5.2 Å²	5.2	2%	0.021	3%	0.031	C	C	.	.			trans	65.1	38.4	165.3	0	0	0	0	0	114.3	S432 G434 S440 A441 D599	S432-G436 WeakPolarHBondContact OG-CA 3.1Å; G434-G436 PolarHBondContact O-N 3.47Å; G436-S440 PolarHBondContact O-N 3.03Å; G436-A441 PolarHBondContact O-N 2.95Å; G436-D599 VanDerWaalsContact CA-OD2 3.31Å; G436-D599 WeakPolarHBondContact CA-OD2 3.37Å; G436-D599 PolarHBondContact N-O 3.06Å; G436-D599 VanDerWaalsContact N-O 3.11Å
437	A	95.9	Very high	96	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.032	C	C	.	.	I	π-helix	trans	-56.4	-55	-179.4	0	0	0	0	0	111.4	P435 A441 V442 D599 L604	P435-A437 PolarHBondContact O-N 2.91Å; A437-A441 WeakPolarHBondContact O-CB 3.36Å; A437-A441 PolarHBondContact O-N 3.49Å; A437-V442 WeakPolarHBondContact O-CG2 3.44Å; A437-V442 PolarHBondContact O-N 3.01Å; A437-D599 WeakPolarHBondContact CB-O 3.46Å; A437-D599 PolarHBondContact N-O 3.41Å; A437-D599 PolarHBondContact N-OD2 3.45Å; A437-L604 HydrophobicContact CB-CD2 4.32Å
438	A	95.7	Very high	96	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-76.7	-41.6	177.2	0	0	0	0	0	111.8	S440 L509 Y591 D599 L604	A438-S440 PolarHBondContact O-N 2.67Å; A438-L509 HydrophobicContact CB-CD2 4.05Å; A438-Y591 HydrophobicContact CB-CD1 3.99Å; A438-Y591 HydrophobicContact CB-CE1 3.49Å; A438-Y591 VanDerWaalsContact CB-CE1 3.49Å; A438-D599 VanDerWaalsContact CB-OD1 3.31Å; A438-D599 WeakPolarHBondContact CB-OD1 3.38Å; A438-D599 PolarHBondContact N-OD1 3.43Å; A438-D599 PolarHBondContact N-OD2 2.89Å; A438-L604 HydrophobicContact CB-CD1 3.99Å; A438-L604 HydrophobicContact CB-CD2 3.9Å; A438-L604 HydrophobicContact CB-CG 4.48Å
439	K	95.2	Very high	95.9	Very high	16 Å²	16	7.4 Å²	7.4	7%	0.07	4%	0.042	C	C	.	.	I	π-helix	trans	-59.4	-43.4	-176.5	177.8	55	175.4	165	0	113.2	D477 N506 L594 H595 D599	K439-D477 WeakPolarHBondContact CE-OD1 3.35Å; K439-D477 IonicContact NZ-OD1 2.76Å; K439-N506 WeakPolarHBondContact CD-OD1 3.29Å; K439-L594 HydrophobicContact CB-CD1 4.08Å; K439-L594 HydrophobicContact CD-CD1 4.33Å; K439-H595 WeakPolarHBondContact CE-CE1 3.33Å; K439-D599 WeakPolarHBondContact CB-OD2 3.11Å; K439-D599 PolarHBondContact N-OD2 3.28Å
440	S	95.4	Very high	96	Very high	1 Å²	1	7 Å²	7	1%	0.007	4%	0.041	C	C	.	.	I	π-helix	trans	-140.9	-38.1	-168.8	171.7	0	0	0	0	114.7	R162 Q429 R430 G436 A438 V442 G443 T444	R162-S440 PolarHBondContact NH2-OG 3.25Å; Q429-S440 WeakPolarHBondContact O-CB 3.47Å; Q429-S440 PolarHBondContact O-OG 3.19Å; R430-S440 WeakPolarHBondContact CA-OG 3.38Å; R430-S440 PolarHBondContact O-OG 3.1Å; G436-S440 PolarHBondContact O-N 3.03Å; A438-S440 PolarHBondContact O-N 2.67Å; S440-V442 PolarHBondContact O-N 2.92Å; S440-G443 PolarHBondContact O-N 3.17Å; S440-T444 WeakPolarHBondContact O-CB 3.11Å; S440-T444 PolarHBondContact O-N 3.03Å; S440-T444 PolarHBondContact O-OG1 3.03Å
441	A	96.2	Very high	96.1	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.041	C	C	.	.	I	π-helix	trans	-66	-42	-171.1	0	0	0	0	0	112.8	S158 G436 A437 T444 A445	S158-A441 WeakPolarHBondContact OG-CB 3.27Å; G436-A441 PolarHBondContact O-N 2.95Å; A437-A441 WeakPolarHBondContact O-CB 3.36Å; A437-A441 PolarHBondContact O-N 3.49Å; A441-T444 PolarHBondContact O-N 3.49Å; A441-A445 WeakPolarHBondContact O-CB 3.42Å; A441-A445 PolarHBondContact O-N 3.5Å
442	V	97.4	Very high	96.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-60.3	-48	175.2	174.3	0	0	0	0	111.5	I154 A437 S440 T444 A445 I446 A507 V508 L604 L612 A616	I154-V442 HydrophobicContact CD1-CG2 4.28Å; I154-V442 HydrophobicContact CG1-CG2 4.39Å; I154-V442 HydrophobicContact CG2-CG2 3.82Å; A437-V442 WeakPolarHBondContact O-CG2 3.44Å; A437-V442 PolarHBondContact O-N 3.01Å; S440-V442 PolarHBondContact O-N 2.92Å; V442-T444 VanDerWaalsContact C-N 3.35Å; V442-T444 PolarHBondContact O-N 3.42Å; V442-A445 PolarHBondContact O-N 3.47Å; V442-I446 HydrophobicContact CG1-CD1 3.82Å; V442-I446 HydrophobicContact CG1-CG1 4.46Å; V442-I446 WeakPolarHBondContact O-CG1 3.43Å; V442-I446 PolarHBondContact O-N 3.29Å; V442-A507 HydrophobicContact CG1-CB 4.16Å; V442-V508 HydrophobicContact CG1-CB 4.15Å; V442-V508 HydrophobicContact CG1-CG2 3.77Å; V442-L604 HydrophobicContact CG2-CD2 3.82Å; V442-L612 HydrophobicContact CG2-CD1 3.97Å; V442-A616 HydrophobicContact CG1-CB 4.22Å
443	G	97.1	Very high	96.2	Very high	3 Å²	3	9.4 Å²	9.4	3%	0.031	5%	0.049	C	C	.	.	H	α-helix	trans	-60.2	-43.8	177.3	0	0	0	0	0	112.5	S440 A445 I446 L447 L504	S440-G443 PolarHBondContact O-N 3.17Å; G443-A445 PolarHBondContact O-N 3.08Å; G443-I446 PolarHBondContact O-N 3.07Å; G443-L447 WeakPolarHBondContact O-CB 3.29Å; G443-L447 PolarHBondContact O-N 2.92Å; G443-L504 WeakPolarHBondContact CA-O 3.43Å
444	T	96.9	Very high	96.5	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.006	4%	0.044	C	C	.	.	H	α-helix	trans	-60.8	-43.4	175.4	-57.2	0	0	0	0	111.7	R162 I176 Q429 S440 A441 V442 L447 L448	R162-T444 PolarHBondContact NH2-OG1 3.34Å; I176-T444 HydrophobicContact CD1-CG2 3.73Å; I176-T444 HydrophobicContact CG1-CG2 4.5Å; Q429-T444 PolarHBondContact O-OG1 2.94Å; S440-T444 WeakPolarHBondContact O-CB 3.11Å; S440-T444 PolarHBondContact O-N 3.03Å; S440-T444 PolarHBondContact O-OG1 3.03Å; A441-T444 PolarHBondContact O-N 3.49Å; V442-T444 VanDerWaalsContact C-N 3.35Å; V442-T444 PolarHBondContact O-N 3.42Å; T444-L447 WeakPolarHBondContact O-CB 3.46Å; T444-L447 PolarHBondContact O-N 3.2Å; T444-L448 HydrophobicContact CG2-CD1 4.35Å; T444-L448 WeakPolarHBondContact O-CG 3.42Å; T444-L448 PolarHBondContact O-N 3.17Å
445	A	97.3	Very high	96.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-65.5	-43.4	179.1	0	0	0	0	0	111.9	L150 T153 I154 A441 V442 G443 L447 L448 E449	L150-A445 HydrophobicContact CD2-CB 4.38Å; T153-A445 HydrophobicContact CG2-CB 3.68Å; I154-A445 HydrophobicContact CB-CB 4.37Å; I154-A445 HydrophobicContact CG1-CB 3.44Å; I154-A445 VanDerWaalsContact CG1-CB 3.44Å; A441-A445 WeakPolarHBondContact O-CB 3.42Å; A441-A445 PolarHBondContact O-N 3.5Å; V442-A445 PolarHBondContact O-N 3.47Å; G443-A445 PolarHBondContact O-N 3.08Å; A445-L447 VanDerWaalsContact C-N 3.33Å; A445-L447 PolarHBondContact O-N 3.43Å; A445-L448 PolarHBondContact O-N 3.1Å; A445-E449 WeakPolarHBondContact O-CB 3.28Å; A445-E449 PolarHBondContact O-N 3.42Å
446	I	98.1	Very high	97	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-60.9	-44	174.4	-66.4	167.5	0	0	0	110.2	L150 V442 G443 L448 E449 L450 L504 A507 A616 V619 A620	L150-I446 HydrophobicContact CD2-CG1 4.27Å; V442-I446 HydrophobicContact CG1-CD1 3.82Å; V442-I446 HydrophobicContact CG1-CG1 4.46Å; V442-I446 WeakPolarHBondContact O-CG1 3.43Å; V442-I446 PolarHBondContact O-N 3.29Å; G443-I446 PolarHBondContact O-N 3.07Å; I446-L448 PolarHBondContact O-N 3.16Å; I446-E449 PolarHBondContact O-N 3.17Å; I446-L450 HydrophobicContact CG2-CD1 3.85Å; I446-L450 HydrophobicContact CG2-CG 4.17Å; I446-L450 WeakPolarHBondContact O-CB 3.3Å; I446-L450 VanDerWaalsContact O-CG 3.28Å; I446-L450 WeakPolarHBondContact O-CG 3.21Å; I446-L450 PolarHBondContact O-N 2.71Å; I446-L504 HydrophobicContact CB-CD1 4.17Å; I446-L504 HydrophobicContact CG2-CD1 3.78Å; I446-L504 HydrophobicContact CG2-CD2 3.87Å; I446-L504 HydrophobicContact CG2-CG 4.43Å; I446-A507 HydrophobicContact CD1-CB 3.91Å; I446-A616 HydrophobicContact CD1-CB 4.41Å; I446-V619 HydrophobicContact CD1-CB 4.03Å; I446-V619 HydrophobicContact CD1-CG1 4Å; I446-A620 HydrophobicContact CG1-CB 4.46Å; I446-A620 HydrophobicContact CG2-CB 3.82Å
447	L	98.1	Very high	97.1	Very high	4 Å²	4	7.3 Å²	7.3	2%	0.021	4%	0.038	C	C	.	.	H	α-helix	trans	-57.4	-51.4	177.7	-175.9	71.3	0	0	0	111.5	I426 A428 G443 T444 A445 E449 L450 V451 F470 I471 L504	I426-L447 HydrophobicContact CG1-CD1 4.24Å; I426-L447 HydrophobicContact CG2-CD1 4.12Å; A428-L447 HydrophobicContact CB-CB 4.09Å; A428-L447 HydrophobicContact CB-CD2 4.03Å; G443-L447 WeakPolarHBondContact O-CB 3.29Å; G443-L447 PolarHBondContact O-N 2.92Å; T444-L447 WeakPolarHBondContact O-CB 3.46Å; T444-L447 PolarHBondContact O-N 3.2Å; A445-L447 VanDerWaalsContact C-N 3.33Å; A445-L447 PolarHBondContact O-N 3.43Å; L447-E449 VanDerWaalsContact C-N 3.31Å; L447-E449 PolarHBondContact O-N 2.91Å; L447-L450 PolarHBondContact O-N 2.98Å; L447-V451 VanDerWaalsContact O-CG2 3.26Å; L447-V451 WeakPolarHBondContact O-CG2 3.38Å; L447-V451 PolarHBondContact O-N 2.72Å; L447-F470 HydrophobicContact CD1-CB 4.17Å; L447-F470 HydrophobicContact CD1-CD1 4.07Å; L447-I471 VanDerWaalsContact CD2-O 3.3Å; L447-I471 WeakPolarHBondContact CD2-O 3.49Å; L447-L504 HydrophobicContact CB-CD1 3.89Å; L447-L504 HydrophobicContact CD1-CD1 4.19Å
448	L	97.3	Very high	97.1	Very high	32 Å²	32	9.3 Å²	9.3	17%	0.168	5%	0.05	C	C	.	.	H	α-helix	trans	-61.5	-39.9	179.7	-69.4	175	0	0	0	112.3	T153 I176 A179 L180 T444 A445 I446 V451 R452	T153-L448 HydrophobicContact CG2-CD1 4.12Å; I176-L448 HydrophobicContact CG1-CD1 4.48Å; I176-L448 HydrophobicContact CG2-CD2 4.28Å; A179-L448 HydrophobicContact CB-CD2 4.16Å; L180-L448 HydrophobicContact CD2-CD2 4.31Å; T444-L448 HydrophobicContact CG2-CD1 4.35Å; T444-L448 WeakPolarHBondContact O-CG 3.42Å; T444-L448 PolarHBondContact O-N 3.17Å; A445-L448 PolarHBondContact O-N 3.1Å; I446-L448 PolarHBondContact O-N 3.16Å; L448-V451 PolarHBondContact O-N 2.74Å; L448-R452 PolarHBondContact O-N 2.91Å
449	E	97.6	Very high	97.1	Very high	9 Å²	9	12.3 Å²	12.3	4%	0.042	7%	0.071	C	C	.	.	H	α-helix	trans	-67.1	-40.6	178.1	-171.6	60.7	-115.3	0	0	111.9	L145 G148 R149 L150 A445 I446 L447 R452 T453	L145-E449 HydrophobicContact CD1-CG 3.75Å; G148-E449 WeakPolarHBondContact CA-OE1 3.41Å; G148-E449 VanDerWaalsContact CA-OE2 3.27Å; G148-E449 WeakPolarHBondContact CA-OE2 3.2Å; R149-E449 PolarHBondContact N-OE2 2.98Å; L150-E449 HydrophobicContact CD1-CG 4.42Å; L150-E449 HydrophobicContact CD2-CB 3.61Å; L150-E449 HydrophobicContact CD2-CG 3.85Å; L150-E449 HydrophobicContact CG-CB 4.23Å; L150-E449 HydrophobicContact CG-CG 3.91Å; A445-E449 WeakPolarHBondContact O-CB 3.28Å; A445-E449 PolarHBondContact O-N 3.42Å; I446-E449 PolarHBondContact O-N 3.17Å; L447-E449 VanDerWaalsContact C-N 3.31Å; L447-E449 PolarHBondContact O-N 2.91Å; E449-R452 PolarHBondContact O-N 3.14Å; E449-R452 IonicContact OE1-CZ 3.55Å; E449-R452 IonicContact OE1-NE 3Å; E449-R452 PolarHBondContact OE1-NE 2.62Å; E449-R452 IonicContact OE1-NH2 3.99Å; E449-R452 PolarHBondContact OE1-NH2 3.01Å; E449-T453 VanDerWaalsContact O-CB 3.32Å; E449-T453 WeakPolarHBondContact O-CB 3.34Å; E449-T453 PolarHBondContact O-N 2.91Å; E449-T453 PolarHBondContact O-OG1 2.99Å
450	L	98.1	Very high	97.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.3	-44.6	174.1	-71.1	176.7	0	0	0	111.2	F141 I426 I446 L447 R452 T453 F454 F470 L504 A623	F141-L450 HydrophobicContact CE2-CD2 3.91Å; F141-L450 HydrophobicContact CZ-CD2 4.01Å; I426-L450 HydrophobicContact CD1-CD1 3.57Å; I446-L450 HydrophobicContact CG2-CD1 3.85Å; I446-L450 HydrophobicContact CG2-CG 4.17Å; I446-L450 WeakPolarHBondContact O-CB 3.3Å; I446-L450 VanDerWaalsContact O-CG 3.28Å; I446-L450 WeakPolarHBondContact O-CG 3.21Å; I446-L450 PolarHBondContact O-N 2.71Å; L447-L450 PolarHBondContact O-N 2.98Å; L450-R452 VanDerWaalsContact C-N 3.33Å; L450-R452 PolarHBondContact O-N 2.69Å; L450-T453 PolarHBondContact O-N 3.26Å; L450-F454 HydrophobicContact CB-CD2 4.44Å; L450-F454 HydrophobicContact CD2-CE2 4.32Å; L450-F454 VanDerWaalsContact O-CD2 3.28Å; L450-F454 WeakPolarHBondContact O-CD2 3.29Å; L450-F454 PolarHBondContact O-N 2.73Å; L450-F470 HydrophobicContact CB-CE1 4.3Å; L450-L504 HydrophobicContact CD1-CD1 4.35Å; L450-A623 HydrophobicContact CD1-CB 4.04Å
451	V	97.9	Very high	97.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-56.5	-48.3	176	176.1	0	0	0	0	110.8	L180 Q183 L185 L447 L448 T453 S455 F470	L180-V451 HydrophobicContact CD2-CB 4.09Å; L180-V451 HydrophobicContact CD2-CG1 3.68Å; L180-V451 HydrophobicContact CD2-CG2 3.73Å; Q183-V451 HydrophobicContact CB-CG1 4.17Å; Q183-V451 HydrophobicContact CG-CG1 3.92Å; L185-V451 HydrophobicContact CD1-CG1 3.69Å; L185-V451 HydrophobicContact CD2-CG1 3.84Å; L185-V451 HydrophobicContact CG-CG1 4.23Å; L447-V451 VanDerWaalsContact O-CG2 3.26Å; L447-V451 WeakPolarHBondContact O-CG2 3.38Å; L447-V451 PolarHBondContact O-N 2.72Å; L448-V451 PolarHBondContact O-N 2.74Å; V451-T453 VanDerWaalsContact C-N 3.35Å; V451-T453 PolarHBondContact O-N 2.85Å; V451-S455 VanDerWaalsContact O-CB 3.22Å; V451-S455 WeakPolarHBondContact O-CB 3.27Å; V451-S455 PolarHBondContact O-N 3.36Å; V451-F470 HydrophobicContact CG2-CB 3.72Å; V451-F470 HydrophobicContact CG2-CD1 3.44Å; V451-F470 VanDerWaalsContact CG2-CD1 3.44Å; V451-F470 HydrophobicContact CG2-CD2 4.02Å; V451-F470 HydrophobicContact CG2-CE1 4.01Å; V451-F470 HydrophobicContact CG2-CG 3.45Å; V451-F470 VanDerWaalsContact CG2-CG 3.45Å
452	R	97.3	Very high	97.1	Very high	52 Å²	52	16.3 Å²	16.3	20%	0.196	10%	0.098	C	C	.	.	H	α-helix	trans	-58.6	-47.8	176.7	-173.4	-165.3	70.9	82.4	1.6	111.1	F144 L448 E449 L450 S455 S456	F144-R452 PolarHBondContact O-NH2 2.83Å; L448-R452 PolarHBondContact O-N 2.91Å; E449-R452 PolarHBondContact O-N 3.14Å; E449-R452 IonicContact OE1-CZ 3.55Å; E449-R452 IonicContact OE1-NE 3Å; E449-R452 PolarHBondContact OE1-NE 2.62Å; E449-R452 IonicContact OE1-NH2 3.99Å; E449-R452 PolarHBondContact OE1-NH2 3.01Å; L450-R452 VanDerWaalsContact C-N 3.33Å; L450-R452 PolarHBondContact O-N 2.69Å; R452-S455 PolarHBondContact O-N 3.29Å; R452-S456 PolarHBondContact O-N 2.68Å; R452-S456 PolarHBondContact O-OG 3.47Å
453	T	97.9	Very high	97	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.4	-50.3	-177.8	-60.8	0	0	0	0	111.3	F141 F144 L145 E449 L450 V451 S456 M457	F141-T453 HydrophobicContact CD2-CG2 3.53Å; F141-T453 HydrophobicContact CE2-CG2 3.7Å; F141-T453 HydrophobicContact CG-CG2 4.45Å; F144-T453 HydrophobicContact CB-CG2 3.87Å; L145-T453 HydrophobicContact CB-CG2 4.28Å; E449-T453 VanDerWaalsContact O-CB 3.32Å; E449-T453 WeakPolarHBondContact O-CB 3.34Å; E449-T453 PolarHBondContact O-N 2.91Å; E449-T453 PolarHBondContact O-OG1 2.99Å; L450-T453 PolarHBondContact O-N 3.26Å; V451-T453 VanDerWaalsContact C-N 3.35Å; V451-T453 PolarHBondContact O-N 2.85Å; T453-S456 WeakPolarHBondContact O-CB 3.47Å; T453-S456 PolarHBondContact O-N 2.81Å; T453-M457 HydrophobicContact CG2-SD 4.39Å; T453-M457 WeakPolarHBondContact O-CG 3.19Å; T453-M457 PolarHBondContact O-N 2.95Å
454	F	97.9	Very high	96.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.2	-38.7	178.6	-83.3	-81.2	0	0	0	112.5	F141 I414 L450 S456 M457 V458 F462 L468 F470 L627 I628	F141-F454 HydrophobicContact CD2-CE2 4.5Å; F141-F454 HydrophobicContact CE2-CE2 4.14Å; I414-F454 HydrophobicContact CD1-CB 3.76Å; L450-F454 HydrophobicContact CB-CD2 4.44Å; L450-F454 HydrophobicContact CD2-CE2 4.32Å; L450-F454 VanDerWaalsContact O-CD2 3.28Å; L450-F454 WeakPolarHBondContact O-CD2 3.29Å; L450-F454 PolarHBondContact O-N 2.73Å; F454-S456 VanDerWaalsContact C-N 3.31Å; F454-S456 PolarHBondContact O-N 3.15Å; F454-M457 HydrophobicContact CD1-SD 4.29Å; F454-M457 HydrophobicContact CE1-SD 4.44Å; F454-M457 PolarHBondContact O-N 2.98Å; F454-V458 WeakPolarHBondContact O-CG2 3.43Å; F454-V458 PolarHBondContact O-N 3.29Å; F454-F462 HydrophobicContact CD1-CD1 4.34Å; F454-F462 AromaticContact CD1-CE1 3.87Å; F454-F462 HydrophobicContact CD1-CE1 3.87Å; F454-F462 AromaticContact CE1-CE1 3.96Å; F454-F462 HydrophobicContact CE1-CE1 3.96Å; F454-L468 HydrophobicContact CB-CD1 4.46Å; F454-L468 HydrophobicContact CD1-CD1 3.44Å; F454-L468 VanDerWaalsContact CD1-CD1 3.44Å; F454-L468 HydrophobicContact CE1-CD1 3.74Å; F454-L468 HydrophobicContact CG-CD1 3.96Å; F454-L468 HydrophobicContact CZ-CD1 4.49Å; F454-F470 HydrophobicContact CB-CZ 4.09Å; F454-F470 HydrophobicContact CD2-CE1 4.33Å; F454-F470 HydrophobicContact CD2-CZ 4.03Å; F454-F470 HydrophobicContact CG-CZ 4.17Å; F454-L627 HydrophobicContact CD2-CD1 4.49Å; F454-L627 HydrophobicContact CE1-CB 4.43Å; F454-L627 HydrophobicContact CE2-CB 4.11Å; F454-L627 HydrophobicContact CE2-CD1 3.74Å; F454-L627 HydrophobicContact CZ-CB 3.61Å; F454-L627 HydrophobicContact CZ-CD1 4.11Å; F454-I628 HydrophobicContact CE1-CG1 3.73Å; F454-I628 HydrophobicContact CZ-CG1 3.78Å
455	S	97.2	Very high	96.8	Very high	8 Å²	8	26.3 Å²	26.3	6%	0.056	13%	0.134	C	C	.	.	H	α-helix	trans	-58.8	-42.3	172.6	173.6	0	0	0	0	111.7	K184 V451 R452 S459	K184-S455 PolarHBondContact N-OG 3.28Å; V451-S455 VanDerWaalsContact O-CB 3.22Å; V451-S455 WeakPolarHBondContact O-CB 3.27Å; V451-S455 PolarHBondContact O-N 3.36Å; R452-S455 PolarHBondContact O-N 3.29Å; S455-S459 WeakPolarHBondContact O-CB 3.21Å; S455-S459 PolarHBondContact O-N 2.86Å; S455-S459 PolarHBondContact O-OG 2.95Å
456	S	97.3	Very high	96.8	Very high	27 Å²	27	26.3 Å²	26.3	19%	0.189	13%	0.134	C	C	.	.	H	α-helix	trans	-65.7	-43.8	174.4	-68.1	0	0	0	0	112.3	R452 T453 F454 V458 S459 N460	R452-S456 PolarHBondContact O-N 2.68Å; R452-S456 PolarHBondContact O-OG 3.47Å; T453-S456 WeakPolarHBondContact O-CB 3.47Å; T453-S456 PolarHBondContact O-N 2.81Å; F454-S456 VanDerWaalsContact C-N 3.31Å; F454-S456 PolarHBondContact O-N 3.15Å; S456-V458 VanDerWaalsContact C-N 3.34Å; S456-V458 PolarHBondContact O-N 2.88Å; S456-S459 PolarHBondContact O-N 2.78Å; S456-N460 PolarHBondContact O-N 2.82Å; S456-N460 PolarHBondContact O-ND2 2.85Å
457	M	97.3	Very high	96.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-45	176.1	-69.7	176.9	72.5	0	0	111.7	L137 M140 F141 F144 T453 F454 S459 N460 G461 F462 I628	L137-M457 HydrophobicContact CB-CE 4.38Å; L137-M457 HydrophobicContact CD2-CE 4.3Å; L137-M457 WeakPolarHBondContact O-CE 3.4Å; M140-M457 HydrophobicContact CG-CG 4.05Å; M140-M457 HydrophobicContact SD-CB 3.92Å; M140-M457 HydrophobicContact SD-CE 4.41Å; M140-M457 HydrophobicContact SD-CG 3.95Å; F141-M457 HydrophobicContact CB-CE 3.87Å; F141-M457 HydrophobicContact CB-SD 3.69Å; F141-M457 HydrophobicContact CD2-SD 3.8Å; F141-M457 HydrophobicContact CG-SD 4.24Å; F144-M457 HydrophobicContact CD2-CG 3.84Å; F144-M457 HydrophobicContact CE2-CG 4.42Å; T453-M457 HydrophobicContact CG2-SD 4.39Å; T453-M457 WeakPolarHBondContact O-CG 3.19Å; T453-M457 PolarHBondContact O-N 2.95Å; F454-M457 HydrophobicContact CD1-SD 4.29Å; F454-M457 HydrophobicContact CE1-SD 4.44Å; F454-M457 PolarHBondContact O-N 2.98Å; M457-S459 VanDerWaalsContact C-N 3.35Å; M457-S459 PolarHBondContact O-N 2.94Å; M457-N460 CarbonylContact O-C 3.6Å; M457-N460 VanDerWaalsContact O-C 3.32Å; M457-N460 WeakPolarHBondContact O-CA 3.33Å; M457-N460 PolarHBondContact O-N 2.95Å; M457-G461 PolarHBondContact O-N 2.89Å; M457-G461 VanDerWaalsContact O-N 3.13Å; M457-F462 HydrophobicContact CB-CB 3.86Å; M457-F462 HydrophobicContact CB-CD1 4.05Å; M457-F462 HydrophobicContact CB-CG 4.37Å; M457-F462 HydrophobicContact CE-CD1 4.16Å; M457-F462 HydrophobicContact CE-CG 4.28Å; M457-F462 WeakPolarHBondContact O-CB 3.26Å; M457-F462 PolarHBondContact O-N 3.41Å; M457-I628 HydrophobicContact CE-CD1 4.02Å; M457-I628 HydrophobicContact CE-CG1 4.4Å
458	V	96.6	Very high	96.9	Very high	41 Å²	41	26.2 Å²	26.2	25%	0.248	13%	0.134	C	C	.	.	H	α-helix	trans	-63	-43	178.9	171.1	0	0	0	0	111.3	I414 F454 S456 N460 G461 F462	I414-V458 HydrophobicContact CD1-CG2 4.38Å; I414-V458 HydrophobicContact CG2-CG2 3.86Å; F454-V458 WeakPolarHBondContact O-CG2 3.43Å; F454-V458 PolarHBondContact O-N 3.29Å; S456-V458 VanDerWaalsContact C-N 3.34Å; S456-V458 PolarHBondContact O-N 2.88Å; V458-N460 PolarHBondContact O-N 2.77Å; V458-N460 VanDerWaalsContact O-N 3.17Å; V458-G461 PolarHBondContact O-N 2.94Å; V458-G461 VanDerWaalsContact O-N 3.11Å; V458-F462 WeakPolarHBondContact CA-O 3.22Å; V458-F462 HydrophobicContact CG2-CD1 4.11Å
459	S	95.4	Very high	96.9	Very high	64 Å²	64	24.7 Å²	24.7	45%	0.448	13%	0.126	S	C	.	.	H	α-helix	trans	-60	-26.4	173.6	-60.3	0	0	0	0	112.6	S455 S456 M457	S455-S459 WeakPolarHBondContact O-CB 3.21Å; S455-S459 PolarHBondContact O-N 2.86Å; S455-S459 PolarHBondContact O-OG 2.95Å; S456-S459 PolarHBondContact O-N 2.78Å; M457-S459 VanDerWaalsContact C-N 3.35Å; M457-S459 PolarHBondContact O-N 2.94Å
460	N	95.4	Very high	97	Very high	77 Å²	77	24.3 Å²	24.3	41%	0.412	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	14.7	179.8	-72.4	-78.5	0	0	0	114.2	M140 F144 S456 M457 V458	M140-N460 HydrophobicContact SD-CB 4.25Å; F144-N460 HydrophobicContact CE2-CB 4.23Å; F144-N460 HydrophobicContact CZ-CB 4.27Å; F144-N460 VanDerWaalsContact CZ-ND2 3.27Å; F144-N460 WeakPolarHBondContact CZ-ND2 3.45Å; S456-N460 PolarHBondContact O-N 2.82Å; S456-N460 PolarHBondContact O-ND2 2.85Å; M457-N460 CarbonylContact O-C 3.6Å; M457-N460 VanDerWaalsContact O-C 3.32Å; M457-N460 WeakPolarHBondContact O-CA 3.33Å; M457-N460 PolarHBondContact O-N 2.95Å; V458-N460 PolarHBondContact O-N 2.77Å; V458-N460 VanDerWaalsContact O-N 3.17Å
461	G	94.6	Very high	97	Very high	21 Å²	21	24.3 Å²	24.3	22%	0.216	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.4	-2.9	168.2	0	0	0	0	0	115.5	M457 V458 R463	M457-G461 PolarHBondContact O-N 2.89Å; M457-G461 VanDerWaalsContact O-N 3.13Å; V458-G461 PolarHBondContact O-N 2.94Å; V458-G461 VanDerWaalsContact O-N 3.11Å; G461-R463 PolarHBondContact O-N 3.25Å
462	F	96	Very high	97	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.013	12%	0.124	C	C	.	.			trans	-63.2	128.4	168	176.2	-133.4	0	0	0	109.8	L137 F454 M457 V458 P464 H632	L137-F462 HydrophobicContact CD1-CD2 3.85Å; L137-F462 HydrophobicContact CD1-CE2 3.79Å; L137-F462 HydrophobicContact CD2-CB 3.97Å; L137-F462 HydrophobicContact CD2-CD2 3.39Å; L137-F462 HydrophobicContact CD2-CE2 4.15Å; L137-F462 HydrophobicContact CD2-CG 3.9Å; L137-F462 HydrophobicContact CG-CD2 4.27Å; F454-F462 HydrophobicContact CD1-CD1 4.34Å; F454-F462 AromaticContact CD1-CE1 3.87Å; F454-F462 HydrophobicContact CD1-CE1 3.87Å; F454-F462 AromaticContact CE1-CE1 3.96Å; F454-F462 HydrophobicContact CE1-CE1 3.96Å; M457-F462 HydrophobicContact CB-CB 3.86Å; M457-F462 HydrophobicContact CB-CD1 4.05Å; M457-F462 HydrophobicContact CB-CG 4.37Å; M457-F462 HydrophobicContact CE-CD1 4.16Å; M457-F462 HydrophobicContact CE-CG 4.28Å; M457-F462 WeakPolarHBondContact O-CB 3.26Å; M457-F462 PolarHBondContact O-N 3.41Å; V458-F462 WeakPolarHBondContact CA-O 3.22Å; V458-F462 HydrophobicContact CG2-CD1 4.11Å; F462-P464 HydrophobicContact CE1-CB 3.98Å; F462-P464 HydrophobicContact CE1-CG 4.37Å; F462-P464 HydrophobicContact CE2-CB 4.44Å; F462-P464 HydrophobicContact CZ-CB 3.77Å; F462-H632 HydrophobicContact CE2-CB 4.3Å
463	R	94.8	Very high	97	Very high	191 Å²	191	22.1 Å²	22.1	72%	0.721	12%	0.116	S	C	*	.			trans	-123.3	96.2	177.7	-72.3	-177	-179.4	-178.3	1	107.7	R417 G461 R465	R417-R463 HydrophobicContact CG-CB 4Å; R417-R463 HydrophobicContact CG-CG 4.4Å; G461-R463 PolarHBondContact O-N 3.25Å; R463-R465 PolarHBondContact O-N 2.91Å
464	P	96.1	Very high	97	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.116	C	C	.	.			trans	-63.1	138.5	179	27.7	-34.3	0	0	0	109.3	I414 G416 R417 F462 R466	I414-P464 HydrophobicContact CG2-CG 3.88Å; G416-P464 CarbonylContact C-O 3.55Å; G416-P464 WeakPolarHBondContact CA-O 3.36Å; R417-P464 PolarHBondContact N-O 3.43Å; F462-P464 HydrophobicContact CE1-CB 3.98Å; F462-P464 HydrophobicContact CE1-CG 4.37Å; F462-P464 HydrophobicContact CE2-CB 4.44Å; F462-P464 HydrophobicContact CZ-CB 3.77Å; P464-R466 WeakPolarHBondContact CB-O 3.28Å
465	R	95.4	Very high	96.8	Very high	21 Å²	21	22.1 Å²	22.1	8%	0.079	12%	0.116	C	C	.	.	S	Bend	trans	-70.2	-43.8	175.6	-170.5	-177.4	169.8	78	1.3	110.4	R417 S418 E419 R463 S631 E697	R417-R465 PolarHBondContact N-O 2.85Å; S418-R465 VanDerWaalsContact CB-NH1 3.35Å; S418-R465 PolarHBondContact N-O 2.92Å; S418-R465 PolarHBondContact OG-NH1 3.06Å; E419-R465 CarbonylContact C-O 3.6Å; E419-R465 PolarHBondContact N-O 3.3Å; E419-R465 IonicContact OE1-CZ 3.77Å; E419-R465 VanDerWaalsContact OE1-CZ 3.25Å; E419-R465 IonicContact OE1-NE 3.75Å; E419-R465 PolarHBondContact OE1-NE 3.05Å; E419-R465 IonicContact OE1-NH2 2.73Å; E419-R465 PolarHBondContact OE1-NH2 3.31Å; R463-R465 PolarHBondContact O-N 2.91Å; R465-S631 WeakPolarHBondContact CA-O 3.47Å; R465-S631 WeakPolarHBondContact CB-O 3.48Å; R465-S631 PolarHBondContact N-O 3.34Å; R465-E697 IonicContact CZ-OE1 3.97Å; R465-E697 IonicContact NH1-OE1 2.74Å; R465-E697 PolarHBondContact NH1-OE1 2.92Å; R465-E697 IonicContact NH2-OE1 2.71Å
466	R	97.3	Very high	96.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	151.1	179.8	-57	-172.7	-173.7	82.5	8	110.7	E419 H422 V424 P464 L630 S631 D633 R634 N704	E419-R466 HydrophobicContact CB-CG 4.05Å; E419-R466 IonicContact OE1-NH2 3.69Å; E419-R466 IonicContact OE2-CZ 3.57Å; E419-R466 IonicContact OE2-NE 3.12Å; E419-R466 PolarHBondContact OE2-NE 2.98Å; E419-R466 IonicContact OE2-NH2 3.1Å; H422-R466 HydrophobicContact CB-CB 4.38Å; H422-R466 HydrophobicContact CB-CG 4.13Å; H422-R466 WeakPolarHBondContact O-CB 3.34Å; V424-R466 HydrophobicContact CG2-CB 4.45Å; P464-R466 WeakPolarHBondContact CB-O 3.28Å; R466-L630 PolarHBondContact NH1-O 3.03Å; R466-S631 PolarHBondContact N-O 3.44Å; R466-D633 PolarHBondContact NH1-O 3.22Å; R466-D633 PolarHBondContact NH2-O 3.11Å; R466-R634 PolarHBondContact NH2-O 2.94Å; R466-N704 PolarHBondContact NH2-ND2 3.17Å
467	S	98.4	Very high	96.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	138	179.8	-63.8	0	0	0	0	111.2	I414 G416 P420 H422 Y423 V424	I414-S467 CarbonylContact O-C 3.56Å; I414-S467 VanDerWaalsContact O-CA 3.29Å; I414-S467 WeakPolarHBondContact O-CA 3.33Å; G416-S467 PolarHBondContact N-OG 3.43Å; P420-S467 WeakPolarHBondContact CA-OG 3.33Å; P420-S467 PolarHBondContact O-OG 3.11Å; H422-S467 PolarHBondContact O-N 2.83Å; Y423-S467 CarbonylContact C-O 3.56Å; Y423-S467 WeakPolarHBondContact CA-O 3.46Å; V424-S467 PolarHBondContact N-O 3Å
468	L	98.6	Very high	96.5	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.8	171.3	-63.9	174.4	0	0	0	108.4	C413 I414 V424 F454 F470 L627	C413-L468 WeakPolarHBondContact CA-O 3.41Å; I414-L468 HydrophobicContact CB-CB 4.3Å; I414-L468 PolarHBondContact N-O 2.91Å; I414-L468 PolarHBondContact O-N 2.95Å; V424-L468 HydrophobicContact CB-CD2 3.98Å; V424-L468 HydrophobicContact CG2-CD2 4.49Å; F454-L468 HydrophobicContact CB-CD1 4.46Å; F454-L468 HydrophobicContact CD1-CD1 3.44Å; F454-L468 VanDerWaalsContact CD1-CD1 3.44Å; F454-L468 HydrophobicContact CE1-CD1 3.74Å; F454-L468 HydrophobicContact CG-CD1 3.96Å; F454-L468 HydrophobicContact CZ-CD1 4.49Å; L468-F470 HydrophobicContact CB-CE2 3.77Å; L468-F470 HydrophobicContact CB-CZ 4.1Å; L468-F470 HydrophobicContact CD1-CZ 4.28Å; L468-L627 HydrophobicContact CD2-CB 4.35Å; L468-L627 HydrophobicContact CD2-CD2 4.4Å
469	L	98.4	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	110.8	179.7	-174.5	63.3	0	0	0	110.1	M51 W189 F411 C413 Y423 V424 V425 I426 I471 W486	M51-L469 HydrophobicContact CE-CD2 3.56Å; W189-L469 HydrophobicContact CH2-CD1 3.51Å; W189-L469 HydrophobicContact CZ2-CD1 4.16Å; W189-L469 HydrophobicContact CZ3-CD1 4.38Å; F411-L469 HydrophobicContact CD1-CD1 4.12Å; F411-L469 HydrophobicContact CD1-CD2 4.47Å; F411-L469 HydrophobicContact CD1-CG 4.45Å; C413-L469 HydrophobicContact CB-CD1 4.19Å; Y423-L469 HydrophobicContact CD1-CB 4.35Å; V424-L469 PolarHBondContact O-N 2.91Å; V425-L469 CarbonylContact C-O 3.53Å; V425-L469 WeakPolarHBondContact CA-O 3.33Å; V425-L469 HydrophobicContact CG1-CD2 4.41Å; V425-L469 HydrophobicContact CG2-CB 4.39Å; V425-L469 HydrophobicContact CG2-CD2 4.28Å; I426-L469 PolarHBondContact N-O 3.29Å; L469-I471 HydrophobicContact CD2-CD1 3.92Å; L469-I471 HydrophobicContact CD2-CG1 4.39Å; L469-I471 HydrophobicContact CG-CD1 4.03Å; L469-I471 HydrophobicContact CG-CG1 3.95Å; L469-W486 HydrophobicContact CD2-CH2 4.34Å; L469-W486 HydrophobicContact CD2-CZ2 4.13Å
470	F	98.6	Very high	96.3	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.3	178.3	-57.1	-91.4	0	0	0	109.8	F411 G412 I414 I426 L447 L450 V451 F454 L468 L627	F411-F470 CarbonylContact C-O 3.57Å; F411-F470 WeakPolarHBondContact CA-O 3.22Å; G412-F470 PolarHBondContact N-O 2.93Å; G412-F470 PolarHBondContact O-N 2.88Å; I414-F470 HydrophobicContact CD1-CE2 3.91Å; I414-F470 HydrophobicContact CD1-CZ 4.45Å; I414-F470 HydrophobicContact CG1-CE2 4.17Å; I426-F470 HydrophobicContact CG2-CB 4.3Å; I426-F470 HydrophobicContact CG2-CD1 3.25Å; I426-F470 HydrophobicContact CG2-CE1 3.73Å; I426-F470 HydrophobicContact CG2-CG 3.94Å; I426-F470 CarbonylContact O-C 3.57Å; I426-F470 WeakPolarHBondContact O-CA 3.39Å; L447-F470 HydrophobicContact CD1-CB 4.17Å; L447-F470 HydrophobicContact CD1-CD1 4.07Å; L450-F470 HydrophobicContact CB-CE1 4.3Å; V451-F470 HydrophobicContact CG2-CB 3.72Å; V451-F470 HydrophobicContact CG2-CD1 3.44Å; V451-F470 VanDerWaalsContact CG2-CD1 3.44Å; V451-F470 HydrophobicContact CG2-CD2 4.02Å; V451-F470 HydrophobicContact CG2-CE1 4.01Å; V451-F470 HydrophobicContact CG2-CG 3.45Å; V451-F470 VanDerWaalsContact CG2-CG 3.45Å; F454-F470 HydrophobicContact CB-CZ 4.09Å; F454-F470 HydrophobicContact CD2-CE1 4.33Å; F454-F470 HydrophobicContact CD2-CZ 4.03Å; F454-F470 HydrophobicContact CG-CZ 4.17Å; L468-F470 HydrophobicContact CB-CE2 3.77Å; L468-F470 HydrophobicContact CB-CZ 4.1Å; L468-F470 HydrophobicContact CD1-CZ 4.28Å; F470-L627 HydrophobicContact CE1-CD1 4.3Å
471	I	98.3	Very high	96.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129	-173.8	-43.6	176.1	0	0	0	111.3	I410 F411 V425 I426 G427 A428 L447 L469 W473 W486	I410-I471 CarbonylContact O-C 3.32Å; I410-I471 WeakPolarHBondContact O-CA 3.23Å; F411-I471 HydrophobicContact CD1-CB 4.38Å; F411-I471 HydrophobicContact CD1-CD1 3.89Å; F411-I471 HydrophobicContact CD1-CG1 3.67Å; F411-I471 HydrophobicContact CD1-CG2 3.95Å; F411-I471 HydrophobicContact CE1-CB 4.42Å; F411-I471 HydrophobicContact CE1-CD1 3.56Å; F411-I471 HydrophobicContact CE1-CG1 3.82Å; F411-I471 HydrophobicContact CE1-CG2 3.73Å; F411-I471 HydrophobicContact CE2-CG2 4.38Å; F411-I471 HydrophobicContact CG-CG2 4.39Å; F411-I471 HydrophobicContact CZ-CG2 3.94Å; V425-I471 HydrophobicContact CG1-CD1 3.37Å; V425-I471 HydrophobicContact CG1-CG1 4.15Å; I426-I471 PolarHBondContact O-N 2.94Å; G427-I471 CarbonylContact C-O 3.21Å; G427-I471 VanDerWaalsContact CA-O 3.27Å; G427-I471 WeakPolarHBondContact CA-O 3.49Å; A428-I471 PolarHBondContact N-O 2.9Å; L447-I471 VanDerWaalsContact CD2-O 3.3Å; L447-I471 WeakPolarHBondContact CD2-O 3.49Å; L469-I471 HydrophobicContact CD2-CD1 3.92Å; L469-I471 HydrophobicContact CD2-CG1 4.39Å; L469-I471 HydrophobicContact CG-CD1 4.03Å; L469-I471 HydrophobicContact CG-CG1 3.95Å; I471-W473 HydrophobicContact CB-CD2 4.35Å; I471-W473 HydrophobicContact CB-CH2 4.25Å; I471-W473 HydrophobicContact CB-CZ2 3.88Å; I471-W473 HydrophobicContact CD1-CH2 3.5Å; I471-W473 HydrophobicContact CD1-CZ2 3.38Å; I471-W473 HydrophobicContact CD1-CZ3 4.47Å; I471-W473 HydrophobicContact CG1-CH2 4.43Å; I471-W473 HydrophobicContact CG1-CZ2 4.21Å; I471-W473 HydrophobicContact CG2-CD2 3.62Å; I471-W473 HydrophobicContact CG2-CE3 3.57Å; I471-W473 HydrophobicContact CG2-CG 4.45Å; I471-W473 HydrophobicContact CG2-CH2 3.6Å; I471-W473 HydrophobicContact CG2-CZ2 3.65Å; I471-W473 HydrophobicContact CG2-CZ3 3.56Å; I471-W486 HydrophobicContact CD1-CH2 4.45Å
472	S	98.3	Very high	96.3	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.007	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	105.9	168.4	-179.3	0	0	0	0	109.1	N409 I410 A428 R430	N409-S472 WeakPolarHBondContact CA-O 3.47Å; I410-S472 PolarHBondContact N-O 3.43Å; I410-S472 PolarHBondContact O-N 3.34Å; A428-S472 WeakPolarHBondContact O-CA 3.45Å; R430-S472 PolarHBondContact NH1-O 3.25Å; R430-S472 VanDerWaalsContact NH1-O 3.14Å; R430-S472 PolarHBondContact NH1-OG 3.41Å
473	W	97.8	Very high	96.3	Very high	5 Å²	5	12.1 Å²	12.1	2%	0.019	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	149	-176.6	-58.4	122.2	0	0	0	112.3	N409 F411 A428 R430 I471 S483 W486 Y501 F571	N409-W473 HydrophobicContact CB-CE3 4.13Å; N409-W473 HydrophobicContact CB-CZ3 4.29Å; F411-W473 HydrophobicContact CE1-CH2 4.41Å; F411-W473 HydrophobicContact CZ-CH2 4.39Å; F411-W473 HydrophobicContact CZ-CZ3 4.07Å; A428-W473 PolarHBondContact O-N 2.88Å; R430-W473 WeakPolarHBondContact CB-O 3.33Å; R430-W473 PolarHBondContact N-O 2.83Å; I471-W473 HydrophobicContact CB-CD2 4.35Å; I471-W473 HydrophobicContact CB-CH2 4.25Å; I471-W473 HydrophobicContact CB-CZ2 3.88Å; I471-W473 HydrophobicContact CD1-CH2 3.5Å; I471-W473 HydrophobicContact CD1-CZ2 3.38Å; I471-W473 HydrophobicContact CD1-CZ3 4.47Å; I471-W473 HydrophobicContact CG1-CH2 4.43Å; I471-W473 HydrophobicContact CG1-CZ2 4.21Å; I471-W473 HydrophobicContact CG2-CD2 3.62Å; I471-W473 HydrophobicContact CG2-CE3 3.57Å; I471-W473 HydrophobicContact CG2-CG 4.45Å; I471-W473 HydrophobicContact CG2-CH2 3.6Å; I471-W473 HydrophobicContact CG2-CZ2 3.65Å; I471-W473 HydrophobicContact CG2-CZ3 3.56Å; W473-S483 VanDerWaalsContact CE3-CA 3.48Å; W473-W486 HydrophobicContact CH2-CB 4.09Å; W473-W486 AromaticContact CH2-CD2 3.81Å; W473-W486 HydrophobicContact CH2-CD2 3.81Å; W473-W486 AromaticContact CH2-CE3 3.61Å; W473-W486 HydrophobicContact CH2-CE3 3.61Å; W473-W486 HydrophobicContact CH2-CG 4.03Å; W473-W486 HydrophobicContact CH2-CZ3 4.27Å; W473-W486 HydrophobicContact CZ2-CE3 4.39Å; W473-W486 HydrophobicContact CZ3-CB 3.84Å; W473-W486 HydrophobicContact CZ3-CD2 4.38Å; W473-W486 HydrophobicContact CZ3-CG 4.12Å; W473-Y501 HydrophobicContact CZ2-CE2 4.39Å; W473-Y501 AromaticContact NE1-CE2 3.84Å; W473-Y501 AromaticContact NE1-CZ 3.76Å; W473-Y501 PolarHBondContact NE1-OH 3.31Å; W473-F571 HydrophobicContact CZ2-CE2 4.23Å; W473-F571 AromaticContact CZ2-CZ 3.91Å; W473-F571 HydrophobicContact CZ2-CZ 3.91Å
474	D	96.7	Very high	96.3	Very high	1 Å²	1	3 Å²	3	1%	0.005	2%	0.018	C	C	.	.	S	Bend	trans	-120.1	161.1	172.9	-159.8	-5.4	0	0	0	110.7	I407 N408 N409 R430 G476 G482	I407-D474 HydrophobicContact CB-CB 4.04Å; N408-D474 PolarHBondContact N-OD2 2.9Å; N409-D474 PolarHBondContact OD1-N 2.77Å; N409-D474 VanDerWaalsContact OD1-N 3.16Å; R430-D474 VanDerWaalsContact NH2-CG 3.34Å; R430-D474 IonicContact NH2-OD2 3.75Å; R430-D474 PolarHBondContact NH2-OD2 3.23Å; R430-D474 VanDerWaalsContact NH2-OD2 3.08Å; D474-G476 VanDerWaalsContact C-N 3.28Å; D474-G476 PolarHBondContact O-N 2.88Å; D474-G482 WeakPolarHBondContact O-CA 3.16Å; D474-G482 PolarHBondContact O-N 2.66Å
475	G	95	Very high	96.1	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.018	C	C	.	.			trans	63.6	24.7	-177.6	0	0	0	0	0	115.4	D431 F478 V481	D431-G475 VanDerWaalsContact CG-N 3.25Å; D431-G475 PolarHBondContact OD1-N 2.97Å; D431-G475 VanDerWaalsContact OD1-N 3.08Å; D431-G475 WeakPolarHBondContact OD2-CA 3.27Å; D431-G475 PolarHBondContact OD2-N 2.79Å; G475-F478 PolarHBondContact O-N 3.48Å; G475-V481 WeakPolarHBondContact O-CB 3.32Å; G475-V481 WeakPolarHBondContact O-CG2 3.36Å; G475-V481 PolarHBondContact O-N 3.47Å
476	G	95.1	Very high	96	Very high	10 Å²	10	2 Å²	2	10%	0.103	1%	0.014	C	C	.	.	G	3₁₀ helix	trans	-63.5	-37.6	177.1	0	0	0	0	0	114.2	D431 D474 F478 G479 S480	D431-G476 PolarHBondContact OD1-N 3.06Å; D431-G476 PolarHBondContact OD2-N 3.32Å; D474-G476 VanDerWaalsContact C-N 3.28Å; D474-G476 PolarHBondContact O-N 2.88Å; G476-F478 PolarHBondContact O-N 3.17Å; G476-F478 VanDerWaalsContact O-N 3.17Å; G476-G479 PolarHBondContact O-N 2.99Å; G476-G479 VanDerWaalsContact O-N 3.1Å; G476-S480 PolarHBondContact O-N 3.04Å
477	D	94.5	Very high	95.8	Very high	5 Å²	5	2 Å²	2	3%	0.027	1%	0.014	C	C	.	.	G	3₁₀ helix	trans	-69.3	-14.7	-179	-95.8	8	0	0	0	113.6	Y317 Q429 D431 S432 W433 K439 G479	Y317-D477 HydrophobicContact CE1-CB 3.85Å; Q429-D477 PolarHBondContact NE2-OD1 3.08Å; D431-D477 PolarHBondContact OD2-N 2.84Å; S432-D477 VanDerWaalsContact CA-OD2 3.25Å; S432-D477 WeakPolarHBondContact CA-OD2 3.43Å; W433-D477 PolarHBondContact N-OD2 3.39Å; K439-D477 WeakPolarHBondContact CE-OD1 3.35Å; K439-D477 IonicContact NZ-OD1 2.76Å; D477-G479 VanDerWaalsContact C-N 3.33Å
478	F	95.1	Very high	95.4	Very high	4 Å²	4	2.7 Å²	2.7	2%	0.018	2%	0.017	C	C	.	.	G	3₁₀ helix	trans	-95	17.9	176.1	-68.2	-89.6	0	0	0	112.7	A164 L197 Q198 F199 P231 Y232 G475 G476 V481	A164-F478 HydrophobicContact CB-CD2 4.25Å; A164-F478 HydrophobicContact CB-CE2 3.94Å; L197-F478 HydrophobicContact CB-CD1 4.18Å; L197-F478 HydrophobicContact CB-CE1 4.03Å; L197-F478 HydrophobicContact CB-CZ 4.39Å; L197-F478 HydrophobicContact CD1-CD2 3.97Å; L197-F478 HydrophobicContact CD1-CE1 4.5Å; L197-F478 HydrophobicContact CD1-CE2 3.95Å; L197-F478 HydrophobicContact CD1-CG 4.27Å; L197-F478 HydrophobicContact CD1-CZ 4.21Å; L197-F478 HydrophobicContact CD2-CB 3.87Å; L197-F478 HydrophobicContact CD2-CD1 3.93Å; L197-F478 HydrophobicContact CD2-CD2 4.25Å; L197-F478 HydrophobicContact CD2-CG 3.75Å; L197-F478 HydrophobicContact CG-CD1 4.42Å; L197-F478 HydrophobicContact CG-CG 4.43Å; Q198-F478 WeakPolarHBondContact O-CE1 3.31Å; F199-F478 HydrophobicContact CD1-CZ 4.44Å; F199-F478 HydrophobicContact CE1-CE1 4.5Å; F199-F478 AromaticContact CE1-CZ 3.75Å; F199-F478 HydrophobicContact CE1-CZ 3.75Å; F199-F478 HydrophobicContact CZ-CZ 4.09Å; P231-F478 HydrophobicContact CB-CD1 3.83Å; P231-F478 HydrophobicContact CB-CE1 3.97Å; P231-F478 HydrophobicContact CG-CD1 4.17Å; P231-F478 HydrophobicContact CG-CE1 4.07Å; Y232-F478 HydrophobicContact CE2-CB 4.12Å; Y232-F478 HydrophobicContact CE2-CD1 4.18Å; Y232-F478 VanDerWaalsContact CE2-O 3.29Å; Y232-F478 WeakPolarHBondContact CE2-O 3.27Å; G475-F478 PolarHBondContact O-N 3.48Å; G476-F478 PolarHBondContact O-N 3.17Å; G476-F478 VanDerWaalsContact O-N 3.17Å; F478-V481 HydrophobicContact CB-CG2 3.66Å; F478-V481 WeakPolarHBondContact O-CG2 3.37Å
479	G	93.7	Very high	95	Very high	3 Å²	3	4 Å²	4	3%	0.031	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	48.8	-179.9	0	0	0	0	0	112.7	T324 G325 G476 D477 V481	T324-G479 CarbonylContact C-O 3.57Å; T324-G479 WeakPolarHBondContact CA-O 3.45Å; T324-G479 PolarHBondContact OG1-O 3.47Å; G325-G479 PolarHBondContact N-O 3.18Å; G476-G479 PolarHBondContact O-N 2.99Å; G476-G479 VanDerWaalsContact O-N 3.1Å; D477-G479 VanDerWaalsContact C-N 3.33Å; G479-V481 VanDerWaalsContact C-N 3.25Å; G479-V481 PolarHBondContact O-N 3.38Å
480	S	95.1	Very high	94.5	Very high	7 Å²	7	5.8 Å²	5.8	5%	0.049	4%	0.038	C	C	.	.	S	Bend	trans	57.1	36.5	174.7	-65.5	0	0	0	0	113.6	G476 G482 S483 T484 S567	G476-S480 PolarHBondContact O-N 3.04Å; S480-G482 PolarHBondContact O-N 3.31Å; S480-S483 WeakPolarHBondContact CB-OG 3.47Å; S480-S483 PolarHBondContact O-N 3.22Å; S480-S483 PolarHBondContact O-OG 3.4Å; S480-T484 WeakPolarHBondContact O-CB 3.2Å; S480-T484 PolarHBondContact O-N 2.67Å; S480-T484 PolarHBondContact O-OG1 3.48Å; S480-S567 WeakPolarHBondContact OG-CA 3.38Å; S480-S567 PolarHBondContact OG-N 2.85Å
481	V	95.1	Very high	93.9	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-55.9	-59.8	-170.3	-178.5	0	0	0	0	111.1	V195 L197 D326 I407 G475 F478 G479 S483 T484 E485	V195-V481 HydrophobicContact CB-CG1 4.04Å; V195-V481 HydrophobicContact CG1-CG1 3.68Å; V195-V481 HydrophobicContact CG2-CG1 4.11Å; L197-V481 HydrophobicContact CD2-CG2 4.35Å; D326-V481 HydrophobicContact CB-CG1 4.23Å; I407-V481 HydrophobicContact CD1-CB 4.3Å; I407-V481 HydrophobicContact CD1-CG1 3.69Å; G475-V481 WeakPolarHBondContact O-CB 3.32Å; G475-V481 WeakPolarHBondContact O-CG2 3.36Å; G475-V481 PolarHBondContact O-N 3.47Å; F478-V481 HydrophobicContact CB-CG2 3.66Å; F478-V481 WeakPolarHBondContact O-CG2 3.37Å; G479-V481 VanDerWaalsContact C-N 3.25Å; G479-V481 PolarHBondContact O-N 3.38Å; V481-S483 VanDerWaalsContact C-N 3.31Å; V481-S483 PolarHBondContact O-N 3.34Å; V481-T484 PolarHBondContact O-N 2.87Å; V481-E485 HydrophobicContact CG1-CG 4.07Å; V481-E485 WeakPolarHBondContact O-CG 3.42Å; V481-E485 PolarHBondContact O-N 3.07Å
482	G	94.6	Very high	93.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.7	-39.6	-175.9	0	0	0	0	0	113.9	N409 D474 S480 W486	N409-G482 PolarHBondContact ND2-O 3.12Å; D474-G482 WeakPolarHBondContact O-CA 3.16Å; D474-G482 PolarHBondContact O-N 2.66Å; S480-G482 PolarHBondContact O-N 3.31Å; G482-W486 PolarHBondContact O-N 3.02Å
483	S	95.4	Very high	92.6	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.014	9%	0.092	C	C	.	.	H	α-helix	trans	-66.5	-38.8	175.6	69	0	0	0	0	112.3	W473 S480 V481 W486 L487	W473-S483 VanDerWaalsContact CE3-CA 3.48Å; S480-S483 WeakPolarHBondContact CB-OG 3.47Å; S480-S483 PolarHBondContact O-N 3.22Å; S480-S483 PolarHBondContact O-OG 3.4Å; V481-S483 VanDerWaalsContact C-N 3.31Å; V481-S483 PolarHBondContact O-N 3.34Å; S483-W486 PolarHBondContact O-N 2.91Å; S483-L487 VanDerWaalsContact O-CG 3.26Å; S483-L487 WeakPolarHBondContact O-CG 3.32Å; S483-L487 PolarHBondContact O-N 3.31Å
484	T	94.1	Very high	92.3	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-72.7	-42.4	-177.1	-51.1	0	0	0	0	111.8	T324 G325 S480 V481 W486 L487 E488	T324-T484 HydrophobicContact CG2-CG2 3.75Å; T324-T484 PolarHBondContact OG1-OG1 3.22Å; G325-T484 PolarHBondContact N-OG1 3.11Å; S480-T484 WeakPolarHBondContact O-CB 3.2Å; S480-T484 PolarHBondContact O-N 2.67Å; S480-T484 PolarHBondContact O-OG1 3.48Å; V481-T484 PolarHBondContact O-N 2.87Å; T484-W486 PolarHBondContact O-N 3.39Å; T484-L487 CarbonylContact O-C 3.57Å; T484-L487 WeakPolarHBondContact O-CA 3.38Å; T484-L487 WeakPolarHBondContact O-CB 3.47Å; T484-L487 PolarHBondContact O-N 3.36Å; T484-E488 HydrophobicContact CG2-CG 4.23Å; T484-E488 WeakPolarHBondContact O-CG 3.49Å; T484-E488 PolarHBondContact O-N 3.22Å
485	E	92.3	Very high	91.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.6	-39.1	176.7	-60.6	-50.6	119.4	0	0	111	H193 V195 D326 S334 V481 E488 G489	H193-E485 HydrophobicContact CB-CG 4.36Å; V195-E485 HydrophobicContact CG1-CG 4.15Å; D326-E485 WeakPolarHBondContact CB-OE1 3.44Å; D326-E485 PolarHBondContact N-OE1 3.12Å; S334-E485 WeakPolarHBondContact CB-OE2 3.47Å; S334-E485 PolarHBondContact N-OE2 3.07Å; S334-E485 PolarHBondContact OG-OE2 2.8Å; V481-E485 HydrophobicContact CG1-CG 4.07Å; V481-E485 WeakPolarHBondContact O-CG 3.42Å; V481-E485 PolarHBondContact O-N 3.07Å; E485-E488 PolarHBondContact O-N 3.27Å; E485-G489 PolarHBondContact O-N 2.81Å
486	W	93.3	Very high	91.8	Very high	1 Å²	1	18 Å²	18	0%	0.004	11%	0.112	C	C	.	.	H	α-helix	trans	-66.2	-43.5	173.9	-177.8	78.9	0	0	0	112	M51 F411 L469 I471 W473 G482 S483 T484 E488 G489 Y490 L494 F571	M51-W486 HydrophobicContact CB-CZ2 4.49Å; M51-W486 HydrophobicContact CE-CH2 4.34Å; M51-W486 HydrophobicContact CE-CZ2 3.97Å; M51-W486 HydrophobicContact SD-CZ2 4.29Å; F411-W486 AromaticContact CE1-CD1 3.98Å; F411-W486 HydrophobicContact CE1-CD2 4.42Å; F411-W486 AromaticContact CE1-CE2 3.9Å; F411-W486 HydrophobicContact CE1-CG 4.45Å; F411-W486 HydrophobicContact CE1-CZ2 4.36Å; F411-W486 AromaticContact CE1-NE1 3.62Å; F411-W486 AromaticContact CZ-CD1 3.56Å; F411-W486 HydrophobicContact CZ-CG 4.08Å; F411-W486 AromaticContact CZ-NE1 3.69Å; L469-W486 HydrophobicContact CD2-CH2 4.34Å; L469-W486 HydrophobicContact CD2-CZ2 4.13Å; I471-W486 HydrophobicContact CD1-CH2 4.45Å; W473-W486 HydrophobicContact CH2-CB 4.09Å; W473-W486 AromaticContact CH2-CD2 3.81Å; W473-W486 HydrophobicContact CH2-CD2 3.81Å; W473-W486 AromaticContact CH2-CE3 3.61Å; W473-W486 HydrophobicContact CH2-CE3 3.61Å; W473-W486 HydrophobicContact CH2-CG 4.03Å; W473-W486 HydrophobicContact CH2-CZ3 4.27Å; W473-W486 HydrophobicContact CZ2-CE3 4.39Å; W473-W486 HydrophobicContact CZ3-CB 3.84Å; W473-W486 HydrophobicContact CZ3-CD2 4.38Å; W473-W486 HydrophobicContact CZ3-CG 4.12Å; G482-W486 PolarHBondContact O-N 3.02Å; S483-W486 PolarHBondContact O-N 2.91Å; T484-W486 PolarHBondContact O-N 3.39Å; W486-E488 VanDerWaalsContact C-N 3.34Å; W486-E488 PolarHBondContact O-N 2.96Å; W486-G489 PolarHBondContact O-N 3.2Å; W486-Y490 AromaticContact CD1-CE2 3.96Å; W486-Y490 HydrophobicContact CD2-CD2 4.47Å; W486-Y490 AromaticContact NE1-CD2 3.96Å; W486-Y490 AromaticContact NE1-CE2 3.58Å; W486-Y490 VanDerWaalsContact O-CD2 3.3Å; W486-Y490 WeakPolarHBondContact O-CD2 3.49Å; W486-L494 HydrophobicContact CH2-CD1 3.58Å; W486-L494 HydrophobicContact CH2-CD2 4.26Å; W486-L494 HydrophobicContact CZ2-CD1 4.23Å; W486-L494 HydrophobicContact CZ3-CD1 4.01Å; W486-L494 HydrophobicContact CZ3-CD2 3.81Å; W486-F571 HydrophobicContact CE3-CZ 4.17Å; W486-F571 AromaticContact CZ3-CE1 3.78Å; W486-F571 HydrophobicContact CZ3-CE1 3.78Å; W486-F571 AromaticContact CZ3-CZ 3.77Å; W486-F571 HydrophobicContact CZ3-CZ 3.77Å
487	L	93.6	Very high	91.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.1	-41.7	175.5	-70.8	178.3	0	0	0	112.5	S483 T484 G489 Y490 L491 L494 F571 F574 V575	S483-L487 VanDerWaalsContact O-CG 3.26Å; S483-L487 WeakPolarHBondContact O-CG 3.32Å; S483-L487 PolarHBondContact O-N 3.31Å; T484-L487 CarbonylContact O-C 3.57Å; T484-L487 WeakPolarHBondContact O-CA 3.38Å; T484-L487 WeakPolarHBondContact O-CB 3.47Å; T484-L487 PolarHBondContact O-N 3.36Å; L487-G489 VanDerWaalsContact C-N 3.26Å; L487-G489 PolarHBondContact O-N 2.91Å; L487-Y490 CarbonylContact O-C 3.57Å; L487-Y490 PolarHBondContact O-N 3.16Å; L487-Y490 VanDerWaalsContact O-N 3.1Å; L487-L491 WeakPolarHBondContact O-CA 3.35Å; L487-L491 PolarHBondContact O-N 3.2Å; L487-L494 HydrophobicContact CD2-CD2 3.23Å; L487-F571 HydrophobicContact CD1-CD2 3.89Å; L487-F571 HydrophobicContact CD1-CE2 4.07Å; L487-F571 HydrophobicContact CD1-CG 4.26Å; L487-F571 HydrophobicContact CD2-CD1 3.77Å; L487-F571 HydrophobicContact CD2-CD2 4.19Å; L487-F571 HydrophobicContact CD2-CE1 3.6Å; L487-F571 HydrophobicContact CD2-CE2 4.01Å; L487-F571 HydrophobicContact CD2-CG 4.08Å; L487-F571 HydrophobicContact CD2-CZ 3.71Å; L487-F571 HydrophobicContact CG-CD2 4.48Å; L487-F571 HydrophobicContact CG-CE2 4.25Å; L487-F571 HydrophobicContact CG-CZ 4.34Å; L487-F574 HydrophobicContact CB-CD1 4.25Å; L487-F574 HydrophobicContact CB-CE1 4.41Å; L487-V575 HydrophobicContact CB-CG2 3.82Å; L487-V575 HydrophobicContact CD1-CG2 4.09Å; L487-V575 HydrophobicContact CD2-CG2 3.89Å; L487-V575 HydrophobicContact CG-CG2 4.13Å
488	E	90.4	Very high	91.8	Very high	15 Å²	15	20.3 Å²	20.3	7%	0.07	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-35.4	178.5	-73.4	177.4	154.9	0	0	111.8	G331 F332 P333 T484 E485 W486 Y490 F574	G331-E488 WeakPolarHBondContact CA-OE1 3.28Å; G331-E488 PolarHBondContact N-OE1 3.08Å; F332-E488 VanDerWaalsContact C-OE2 3.28Å; F332-E488 VanDerWaalsContact O-OE2 3.1Å; P333-E488 HydrophobicContact CG-CB 4.2Å; T484-E488 HydrophobicContact CG2-CG 4.23Å; T484-E488 WeakPolarHBondContact O-CG 3.49Å; T484-E488 PolarHBondContact O-N 3.22Å; E485-E488 PolarHBondContact O-N 3.27Å; W486-E488 VanDerWaalsContact C-N 3.34Å; W486-E488 PolarHBondContact O-N 2.96Å; E488-Y490 PolarHBondContact O-N 3.23Å; E488-F574 HydrophobicContact CG-CE1 3.64Å; E488-F574 HydrophobicContact CG-CZ 3.81Å
489	G	89	Confident	91.9	Very high	29 Å²	29	20.1 Å²	20.1	30%	0.299	12%	0.118	S	C	.	.	H	α-helix	trans	-64	-22.8	176	0	0	0	0	0	113.7	P333 E485 W486 L487	P333-G489 VanDerWaalsContact CG-N 3.35Å; E485-G489 PolarHBondContact O-N 2.81Å; W486-G489 PolarHBondContact O-N 3.2Å; L487-G489 VanDerWaalsContact C-N 3.26Å; L487-G489 PolarHBondContact O-N 2.91Å
490	Y	89.4	Confident	92.1	Very high	37 Å²	37	20 Å²	20	15%	0.145	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	17.7	-175.5	-61.4	-73.4	0	0	0	113.9	M51 E52 L53 W486 L487 E488 S492 V493 L494	M51-Y490 WeakPolarHBondContact CA-OH 3.39Å; M51-Y490 HydrophobicContact CB-CE1 4.29Å; M51-Y490 HydrophobicContact CB-CE2 4.21Å; M51-Y490 PolarHBondContact O-OH 3.37Å; E52-Y490 VanDerWaalsContact C-OH 3.31Å; E52-Y490 PolarHBondContact N-OH 2.96Å; E52-Y490 PolarHBondContact O-OH 3.1Å; L53-Y490 HydrophobicContact CD1-CE2 4.22Å; L53-Y490 HydrophobicContact CD2-CE2 3.9Å; L53-Y490 HydrophobicContact CG-CE2 3.79Å; L53-Y490 PolarHBondContact N-OH 3.39Å; W486-Y490 AromaticContact CD1-CE2 3.96Å; W486-Y490 HydrophobicContact CD2-CD2 4.47Å; W486-Y490 AromaticContact NE1-CD2 3.96Å; W486-Y490 AromaticContact NE1-CE2 3.58Å; W486-Y490 VanDerWaalsContact O-CD2 3.3Å; W486-Y490 WeakPolarHBondContact O-CD2 3.49Å; L487-Y490 CarbonylContact O-C 3.57Å; L487-Y490 PolarHBondContact O-N 3.16Å; L487-Y490 VanDerWaalsContact O-N 3.1Å; E488-Y490 PolarHBondContact O-N 3.23Å; Y490-S492 PolarHBondContact O-N 3.1Å; Y490-V493 PolarHBondContact O-N 3.11Å; Y490-L494 WeakPolarHBondContact O-CB 3.45Å; Y490-L494 PolarHBondContact O-N 3Å
491	L	84.9	Confident	92.2	Very high	29 Å²	29	19.6 Å²	19.6	15%	0.152	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-36	-169.5	-175.8	60.3	0	0	0	114.3	L487 F574 V575 P721	L487-L491 WeakPolarHBondContact O-CA 3.35Å; L487-L491 PolarHBondContact O-N 3.2Å; L491-F574 HydrophobicContact CD1-CD1 3.97Å; L491-F574 HydrophobicContact CD1-CD2 4.45Å; L491-F574 HydrophobicContact CD1-CE1 3.65Å; L491-F574 HydrophobicContact CD1-CE2 4.17Å; L491-F574 HydrophobicContact CD1-CG 4.34Å; L491-F574 HydrophobicContact CD1-CZ 3.75Å; L491-F574 HydrophobicContact CD2-CE2 4.44Å; L491-F574 HydrophobicContact CD2-CZ 3.98Å; L491-F574 HydrophobicContact CG-CZ 4.47Å; L491-V575 HydrophobicContact CD1-CG2 3.87Å; L491-P721 HydrophobicContact CD2-CB 3.9Å; L491-P721 HydrophobicContact CD2-CG 4.04Å
492	S	81.1	Confident	92.4	Very high	94 Å²	94	19.6 Å²	19.6	66%	0.657	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-14.2	-178.5	57.2	0	0	0	0	114.8	Y490 H495	Y490-S492 PolarHBondContact O-N 3.1Å; S492-H495 PolarHBondContact O-CE1 3.42Å; S492-H495 VanDerWaalsContact O-CE1 3.22Å
493	V	89.3	Confident	92.6	Very high	56 Å²	56	19.6 Å²	19.6	34%	0.339	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-24.5	-169.4	-167.7	0	0	0	0	112.5	Y490 H495 L496 K497	Y490-V493 PolarHBondContact O-N 3.11Å; V493-H495 VanDerWaalsContact C-N 3.33Å; V493-H495 PolarHBondContact O-N 2.8Å; V493-L496 WeakPolarHBondContact O-CB 3.49Å; V493-L496 PolarHBondContact O-N 3.39Å; V493-K497 HydrophobicContact CG1-CD 4.3Å
494	L	90.3	Very high	92.7	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-61.2	-39.7	-169.7	-169.3	67.8	0	0	0	112.7	M51 W486 L487 Y490 L496 K497 A498 F571 V575 V577	M51-L494 HydrophobicContact SD-CD1 4.02Å; W486-L494 HydrophobicContact CH2-CD1 3.58Å; W486-L494 HydrophobicContact CH2-CD2 4.26Å; W486-L494 HydrophobicContact CZ2-CD1 4.23Å; W486-L494 HydrophobicContact CZ3-CD1 4.01Å; W486-L494 HydrophobicContact CZ3-CD2 3.81Å; L487-L494 HydrophobicContact CD2-CD2 3.23Å; Y490-L494 WeakPolarHBondContact O-CB 3.45Å; Y490-L494 PolarHBondContact O-N 3Å; L494-L496 PolarHBondContact O-N 3.48Å; L494-L496 VanDerWaalsContact O-N 3.09Å; L494-K497 CarbonylContact O-C 3.59Å; L494-K497 PolarHBondContact O-N 2.89Å; L494-A498 HydrophobicContact CD1-CB 3.96Å; L494-A498 HydrophobicContact CG-CB 3.86Å; L494-A498 WeakPolarHBondContact O-CB 3.45Å; L494-A498 PolarHBondContact O-N 3.24Å; L494-F571 HydrophobicContact CD2-CE1 4.36Å; L494-V575 HydrophobicContact CB-CG1 3.79Å; L494-V575 HydrophobicContact CD2-CG1 3.97Å; L494-V575 HydrophobicContact CG-CG1 4.38Å; L494-V577 HydrophobicContact CD2-CG2 4.4Å; L494-V577 HydrophobicContact CG-CG2 4.37Å
495	H	89	Confident	92.7	Very high	15 Å²	15	20 Å²	20	7%	0.069	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-62.6	-16	177.1	71.4	-84.2	0	0	0	114.4	S492 V493 F712	S492-H495 PolarHBondContact O-CE1 3.42Å; S492-H495 VanDerWaalsContact O-CE1 3.22Å; V493-H495 VanDerWaalsContact C-N 3.33Å; V493-H495 PolarHBondContact O-N 2.8Å; H495-F712 HydrophobicContact CB-CB 3.88Å; H495-F712 HydrophobicContact CB-CD2 3.73Å; H495-F712 HydrophobicContact CB-CG 4Å; H495-F712 AromaticContact CD2-CD1 3.75Å; H495-F712 AromaticContact CD2-CD2 3.72Å; H495-F712 AromaticContact CD2-CG 3.45Å; H495-F712 VanDerWaalsContact CD2-CG 3.45Å; H495-F712 WeakPolarHBondContact CD2-CG 3.43Å; H495-F712 AromaticContact CE1-CD2 3.84Å; H495-F712 AromaticContact CE1-CE1 3.98Å; H495-F712 AromaticContact CE1-CE2 3.57Å; H495-F712 AromaticContact CE1-CZ 3.65Å; H495-F712 AromaticContact CG-CD2 3.33Å; H495-F712 AromaticContact CG-CE2 3.85Å; H495-F712 AromaticContact CG-CG 3.54Å; H495-F712 AromaticContact ND1-CD2 3.42Å; H495-F712 WeakPolarHBondContact ND1-CD2 3.38Å; H495-F712 AromaticContact ND1-CE2 3.42Å; H495-F712 WeakPolarHBondContact ND1-CE2 3.35Å; H495-F712 AromaticContact ND1-CG 3.99Å; H495-F712 AromaticContact ND1-CZ 4Å; H495-F712 AromaticContact NE2-CD1 3.76Å; H495-F712 AromaticContact NE2-CE1 3.81Å; H495-F712 AromaticContact NE2-CG 3.88Å; H495-F712 AromaticContact NE2-CZ 3.96Å
496	L	92.1	Very high	92.8	Very high	71 Å²	71	20.9 Å²	20.9	37%	0.372	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-85.9	-16	174.1	-58.5	174	0	0	0	112.4	V493 L494	V493-L496 WeakPolarHBondContact O-CB 3.49Å; V493-L496 PolarHBondContact O-N 3.39Å; L494-L496 PolarHBondContact O-N 3.48Å; L494-L496 VanDerWaalsContact O-N 3.09Å
497	K	94.7	Very high	92.9	Very high	60 Å²	60	20.8 Å²	20.8	26%	0.261	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-50.1	-172.1	-64.6	-171.6	172.5	-167.7	0	111.7	M51 H422 Y423 V493 L494 V499	M51-K497 HydrophobicContact SD-CD 4.2Å; H422-K497 CarbonylContact C-O 3.53Å; H422-K497 VanDerWaalsContact CA-O 3.25Å; H422-K497 WeakPolarHBondContact CA-O 3.49Å; Y423-K497 HydrophobicContact CD2-CB 3.86Å; Y423-K497 HydrophobicContact CE2-CB 4.01Å; Y423-K497 HydrophobicContact CE2-CD 4.21Å; Y423-K497 PolarHBondContact N-O 3.22Å; V493-K497 HydrophobicContact CG1-CD 4.3Å; L494-K497 CarbonylContact O-C 3.59Å; L494-K497 PolarHBondContact O-N 2.89Å; K497-V499 PolarHBondContact O-N 3.03Å
498	A	96	Very high	93	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.017	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	117.3	177.6	0	0	0	0	0	110.7	Y423 V425 L494 V577	Y423-A498 CarbonylContact O-C 3.59Å; Y423-A498 WeakPolarHBondContact O-CA 3.39Å; V425-A498 HydrophobicContact CG2-CB 4.2Å; L494-A498 HydrophobicContact CD1-CB 3.96Å; L494-A498 HydrophobicContact CG-CB 3.86Å; L494-A498 WeakPolarHBondContact O-CB 3.45Å; L494-A498 PolarHBondContact O-N 3.24Å; A498-V577 HydrophobicContact CB-CG1 4Å; A498-V577 HydrophobicContact CB-CG2 4.01Å
499	V	96.3	Very high	93.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-52.7	178.7	173.7	0	0	0	0	110.3	H422 Y423 K497 P578 L636 M708	H422-V499 HydrophobicContact CB-CG2 3.92Å; Y423-V499 WeakPolarHBondContact O-CB 3.31Å; Y423-V499 PolarHBondContact O-N 3.42Å; K497-V499 PolarHBondContact O-N 3.03Å; V499-P578 WeakPolarHBondContact O-CD 3.29Å; V499-P578 WeakPolarHBondContact O-CG 3.48Å; V499-L636 HydrophobicContact CG1-CD1 3.93Å; V499-L636 HydrophobicContact CG1-CD2 3.35Å; V499-L636 HydrophobicContact CG1-CG 4.29Å; V499-L636 HydrophobicContact CG2-CD2 4.47Å; V499-M708 HydrophobicContact CG2-CE 3.93Å; V499-M708 HydrophobicContact CG2-SD 3.94Å
500	V	97.9	Very high	93.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	149.2	-176.9	164.9	0	0	0	0	108.3	V425 V502 L522 P578 L630 L638	V425-V500 PolarHBondContact N-O 3.49Å; V500-V502 HydrophobicContact CG1-CG2 4.08Å; V500-L522 HydrophobicContact CG1-CD1 4.01Å; V500-L522 HydrophobicContact CG1-CD2 4.19Å; V500-L522 HydrophobicContact CG2-CD2 3.87Å; V500-P578 CarbonylContact C-O 3.54Å; V500-P578 VanDerWaalsContact CA-O 3.26Å; V500-P578 WeakPolarHBondContact CA-O 3.42Å; V500-P578 HydrophobicContact CG2-CG 3.95Å; V500-L630 HydrophobicContact CB-CD1 3.82Å; V500-L630 HydrophobicContact CG1-CD1 3.87Å; V500-L630 HydrophobicContact CG2-CD1 3.9Å; V500-L630 HydrophobicContact CG2-CD2 4.09Å; V500-L638 HydrophobicContact CG2-CD1 4.28Å; V500-L638 HydrophobicContact CG2-CD2 3.93Å
501	Y	98.4	Very high	93.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.1	165.6	176.4	-111.5	0	0	0	112	V425 W473 S567 A568 F571 P578 A579 V580	V425-Y501 HydrophobicContact CB-CD2 4Å; V425-Y501 HydrophobicContact CG1-CD2 3.72Å; V425-Y501 HydrophobicContact CG1-CE2 4.19Å; V425-Y501 CarbonylContact O-C 3.52Å; V425-Y501 WeakPolarHBondContact O-CA 3.37Å; W473-Y501 HydrophobicContact CZ2-CE2 4.39Å; W473-Y501 AromaticContact NE1-CE2 3.84Å; W473-Y501 AromaticContact NE1-CZ 3.76Å; W473-Y501 PolarHBondContact NE1-OH 3.31Å; Y501-S567 PolarHBondContact OH-OG 3.28Å; Y501-S567 VanDerWaalsContact OH-OG 3.05Å; Y501-A568 HydrophobicContact CD1-CB 3.95Å; Y501-A568 HydrophobicContact CE1-CB 3.93Å; Y501-F571 VanDerWaalsContact CB-CD1 3.4Å; Y501-F571 HydrophobicContact CD1-CB 4Å; Y501-F571 HydrophobicContact CD1-CD1 4.12Å; Y501-F571 AromaticContact CD1-CD2 3.39Å; Y501-F571 HydrophobicContact CD1-CD2 3.39Å; Y501-F571 HydrophobicContact CD1-CE1 4.45Å; Y501-F571 AromaticContact CD1-CE2 3.82Å; Y501-F571 HydrophobicContact CD1-CE2 3.82Å; Y501-F571 AromaticContact CD1-CG 3.56Å; Y501-F571 HydrophobicContact CD1-CG 3.56Å; Y501-F571 HydrophobicContact CD1-CZ 4.33Å; Y501-F571 HydrophobicContact CD2-CD1 4.02Å; Y501-F571 HydrophobicContact CD2-CD2 4.09Å; Y501-F571 AromaticContact CD2-CE1 3.63Å; Y501-F571 HydrophobicContact CD2-CE1 3.63Å; Y501-F571 AromaticContact CD2-CE2 3.74Å; Y501-F571 HydrophobicContact CD2-CE2 3.74Å; Y501-F571 HydrophobicContact CD2-CG 4.23Å; Y501-F571 AromaticContact CD2-CZ 3.49Å; Y501-F571 HydrophobicContact CD2-CZ 3.49Å; Y501-F571 VanDerWaalsContact CD2-CZ 3.49Å; Y501-F571 AromaticContact CE1-CD2 3.58Å; Y501-F571 HydrophobicContact CE1-CD2 3.58Å; Y501-F571 AromaticContact CE1-CE2 3.73Å; Y501-F571 HydrophobicContact CE1-CE2 3.73Å; Y501-F571 HydrophobicContact CE1-CG 4.24Å; Y501-F571 HydrophobicContact CE1-CZ 4.47Å; Y501-F571 HydrophobicContact CE2-CD2 4.26Å; Y501-F571 HydrophobicContact CE2-CE1 4.3Å; Y501-F571 AromaticContact CE2-CE2 3.66Å; Y501-F571 HydrophobicContact CE2-CE2 3.66Å; Y501-F571 AromaticContact CE2-CZ 3.68Å; Y501-F571 HydrophobicContact CE2-CZ 3.68Å; Y501-F571 HydrophobicContact CG-CB 4.23Å; Y501-F571 AromaticContact CG-CD1 3.59Å; Y501-F571 HydrophobicContact CG-CD1 3.59Å; Y501-F571 AromaticContact CG-CD2 3.66Å; Y501-F571 HydrophobicContact CG-CD2 3.66Å; Y501-F571 AromaticContact CG-CE1 3.71Å; Y501-F571 HydrophobicContact CG-CE1 3.71Å; Y501-F571 AromaticContact CG-CE2 3.81Å; Y501-F571 HydrophobicContact CG-CE2 3.81Å; Y501-F571 AromaticContact CG-CG 3.54Å; Y501-F571 HydrophobicContact CG-CG 3.54Å; Y501-F571 AromaticContact CG-CZ 3.84Å; Y501-F571 HydrophobicContact CG-CZ 3.84Å; Y501-F571 AromaticContact CZ-CE2 3.65Å; Y501-P578 PolarHBondContact N-O 3.42Å; Y501-A579 HydrophobicContact CD1-CB 4.03Å; Y501-A579 CarbonylContact O-C 3.27Å; Y501-A579 WeakPolarHBondContact O-CA 3.42Å; Y501-V580 PolarHBondContact O-N 3.33Å
502	V	98.5	Very high	93.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.4	175.5	-176	0	0	0	0	108.3	V425 I426 G427 V500 V580 F582 A623 L626 L627	V425-V502 PolarHBondContact O-N 3.28Å; I426-V502 CarbonylContact C-O 3.54Å; I426-V502 VanDerWaalsContact CA-O 3.29Å; I426-V502 WeakPolarHBondContact CA-O 3.39Å; I426-V502 HydrophobicContact CB-CB 4.27Å; I426-V502 HydrophobicContact CD1-CB 4.4Å; I426-V502 HydrophobicContact CD1-CG1 4.2Å; I426-V502 HydrophobicContact CG1-CB 4.1Å; I426-V502 HydrophobicContact CG1-CG1 4.28Å; G427-V502 PolarHBondContact N-O 3.41Å; V500-V502 HydrophobicContact CG1-CG2 4.08Å; V502-V580 HydrophobicContact CB-CG1 4.35Å; V502-V580 HydrophobicContact CG1-CG1 4.2Å; V502-V580 HydrophobicContact CG2-CG1 4.06Å; V502-F582 HydrophobicContact CG1-CD2 4.41Å; V502-F582 HydrophobicContact CG1-CE2 4.12Å; V502-A623 HydrophobicContact CG1-CB 4.45Å; V502-L626 HydrophobicContact CG2-CD2 3.4Å; V502-L626 VanDerWaalsContact CG2-CD2 3.4Å; V502-L627 HydrophobicContact CG2-CD2 4.29Å
503	S	98	Very high	93.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135	172.8	178.7	0	0	0	0	110.9	D505 S567 V580	S503-D505 WeakPolarHBondContact OG-CB 3.23Å; S503-D505 PolarHBondContact OG-N 3.26Å; S503-D505 VanDerWaalsContact OG-N 3.12Å; S503-D505 PolarHBondContact OG-OD2 3.49Å; S503-S567 PolarHBondContact OG-OG 3.1Å; S503-V580 PolarHBondContact N-O 3.36Å
504	L	97.7	Very high	94	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.072	C	C	.	.			trans	-102.4	13.1	171.4	-61.2	174.4	0	0	0	112.2	I426 G427 A428 G443 I446 L447 L450 A623	I426-L504 HydrophobicContact CD1-CD1 3.8Å; I426-L504 HydrophobicContact CD1-CD2 4.21Å; I426-L504 HydrophobicContact CD1-CG 4.02Å; I426-L504 HydrophobicContact CG1-CD1 3.96Å; I426-L504 HydrophobicContact CG1-CG 4.07Å; G427-L504 PolarHBondContact O-N 2.97Å; A428-L504 HydrophobicContact CB-CB 4.07Å; G443-L504 WeakPolarHBondContact CA-O 3.43Å; I446-L504 HydrophobicContact CB-CD1 4.17Å; I446-L504 HydrophobicContact CG2-CD1 3.78Å; I446-L504 HydrophobicContact CG2-CD2 3.87Å; I446-L504 HydrophobicContact CG2-CG 4.43Å; L447-L504 HydrophobicContact CB-CD1 3.89Å; L447-L504 HydrophobicContact CD1-CD1 4.19Å; L450-L504 HydrophobicContact CD1-CD1 4.35Å; L504-A623 HydrophobicContact CD2-CB 3.99Å
505	D	94.6	Very high	94.2	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.043	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	139.1	177.4	-56.3	-22.6	0	0	0	109.8	Q429 S503 A507 S567	Q429-D505 VanDerWaalsContact CB-OD1 3.25Å; Q429-D505 WeakPolarHBondContact CB-OD1 3.3Å; Q429-D505 PolarHBondContact N-OD1 3.16Å; S503-D505 WeakPolarHBondContact OG-CB 3.23Å; S503-D505 PolarHBondContact OG-N 3.26Å; S503-D505 VanDerWaalsContact OG-N 3.12Å; S503-D505 PolarHBondContact OG-OD2 3.49Å; D505-A507 PolarHBondContact O-N 3.15Å; D505-A507 VanDerWaalsContact O-N 3.09Å; D505-S567 PolarHBondContact OD2-OG 3.12Å
506	N	93.5	Very high	94.5	Very high	19 Å²	19	17.4 Å²	17.4	10%	0.102	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	34.6	179	-52.4	-54.1	0	0	0	114.3	K439 V508 L509 S583	K439-N506 WeakPolarHBondContact CD-OD1 3.29Å; N506-V508 PolarHBondContact O-N 3.06Å; N506-V508 VanDerWaalsContact O-N 3.17Å; N506-L509 HydrophobicContact CB-CD1 4.07Å; N506-L509 HydrophobicContact CB-CD2 4.21Å; N506-L509 HydrophobicContact CB-CG 4.2Å; N506-S583 WeakPolarHBondContact O-CB 3.49Å; N506-S583 PolarHBondContact O-OG 2.97Å
507	A	95.6	Very high	94.7	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.073	C	C	.	.			trans	-55	-35.6	-174.6	0	0	0	0	0	114	V442 I446 D505 F582 S583 F584 V619	V442-A507 HydrophobicContact CG1-CB 4.16Å; I446-A507 HydrophobicContact CD1-CB 3.91Å; D505-A507 PolarHBondContact O-N 3.15Å; D505-A507 VanDerWaalsContact O-N 3.09Å; A507-F582 WeakPolarHBondContact CA-O 3.48Å; A507-S583 WeakPolarHBondContact O-CA 3.45Å; A507-F584 PolarHBondContact O-N 3.36Å; A507-V619 HydrophobicContact CB-CG1 4.04Å
508	V	96.4	Very high	94.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-135.3	103.7	-177.1	-174.4	0	0	0	0	109.7	V442 N506 L608 L612 V615 A616 V619	V442-V508 HydrophobicContact CG1-CB 4.15Å; V442-V508 HydrophobicContact CG1-CG2 3.77Å; N506-V508 PolarHBondContact O-N 3.06Å; N506-V508 VanDerWaalsContact O-N 3.17Å; V508-L608 HydrophobicContact CG1-CD1 3.53Å; V508-L608 HydrophobicContact CG1-CD2 4.34Å; V508-L612 HydrophobicContact CB-CD1 4.41Å; V508-L612 HydrophobicContact CG1-CD1 4.03Å; V508-V615 HydrophobicContact CB-CG1 4.5Å; V508-V615 HydrophobicContact CG1-CB 4.21Å; V508-V615 HydrophobicContact CG1-CG1 3.77Å; V508-V615 HydrophobicContact CG2-CG1 3.95Å; V508-A616 HydrophobicContact CG2-CB 4.42Å; V508-V619 HydrophobicContact CG2-CG2 4.28Å
509	L	94.2	Very high	94.7	Very high	21 Å²	21	13.3 Å²	13.3	11%	0.11	6%	0.061	C	C	.	.	S	Bend	trans	-113.3	-11.5	173.8	-60.5	-179.6	0	0	0	112.3	A438 N506 F584 V585 Y591 L594	A438-L509 HydrophobicContact CB-CD2 4.05Å; N506-L509 HydrophobicContact CB-CD1 4.07Å; N506-L509 HydrophobicContact CB-CD2 4.21Å; N506-L509 HydrophobicContact CB-CG 4.2Å; L509-F584 CarbonylContact C-O 3.51Å; L509-F584 WeakPolarHBondContact CA-O 2.79Å; L509-F584 WeakPolarHBondContact CB-O 3.49Å; L509-F584 PolarHBondContact N-O 3.15Å; L509-V585 HydrophobicContact CB-CG1 4.43Å; L509-Y591 HydrophobicContact CD2-CD1 4.22Å; L509-Y591 HydrophobicContact CD2-CG 4.47Å; L509-Y591 WeakPolarHBondContact O-CB 3.35Å; L509-L594 HydrophobicContact CD2-CD1 3.91Å; L509-L594 HydrophobicContact CD2-CD2 4.5Å
510	G	92.5	Very high	94.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.069	C	C	.	.			trans	-165.3	-172.7	-178.4	0	0	0	0	0	109.6	F584 E586 L608	G510-F584 PolarHBondContact N-O 3.18Å; G510-F584 VanDerWaalsContact O-CB 3.22Å; G510-F584 WeakPolarHBondContact O-CB 3.46Å; G510-E586 WeakPolarHBondContact CA-OE1 3.17Å; G510-L608 WeakPolarHBondContact O-CD2 3.47Å
511	N	89.7	Confident	94.5	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.021	7%	0.069	C	C	.	.	S	Bend	trans	-126.8	-14.9	173	55.5	39.5	0	0	0	114.3	N537 E586 L608 R611 V615	N511-N537 PolarHBondContact O-ND2 2.87Å; N511-E586 PolarHBondContact N-OE1 3.26Å; N511-E586 PolarHBondContact OD1-OE1 3.37Å; N511-L608 HydrophobicContact CB-CD2 3.93Å; N511-L608 PolarHBondContact ND2-O 3.36Å; N511-R611 PolarHBondContact ND2-NE 3.26Å; N511-R611 PolarHBondContact ND2-NH2 3.13Å; N511-R611 PolarHBondContact OD1-NH2 2.81Å; N511-V615 HydrophobicContact CB-CG2 3.77Å
512	D	86.6	Confident	94.5	Very high	51 Å²	51	14.5 Å²	14.5	27%	0.273	7%	0.069	S	C	.	.	S	Bend	trans	-66.9	-55.5	-172.4	-65.5	-29.9	0	0	0	114.5	Q546 V585	D512-Q546 PolarHBondContact O-NE2 3.47Å; D512-V585 PolarHBondContact N-O 3.01Å
513	K	88.9	Confident	94.3	Very high	47 Å²	47	15 Å²	15	20%	0.204	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.5	-172.1	-87.3	179.2	-174.3	162.9	0	112.8	E557 F584 V585 D587	K513-E557 VanDerWaalsContact CD-OE1 3.22Å; K513-E557 WeakPolarHBondContact CD-OE1 3.34Å; K513-E557 WeakPolarHBondContact CE-OE1 3.09Å; K513-E557 IonicContact NZ-OE1 3.24Å; K513-E557 PolarHBondContact NZ-OE1 3.05Å; K513-F584 CarbonylContact O-C 3.56Å; K513-F584 WeakPolarHBondContact O-CA 3.42Å; K513-V585 HydrophobicContact CB-CG2 4.14Å; K513-V585 PolarHBondContact N-O 3.45Å; K513-V585 PolarHBondContact O-N 3.35Å; K513-D587 WeakPolarHBondContact CD-OD1 3.41Å; K513-D587 WeakPolarHBondContact CE-OD1 3.25Å; K513-D587 WeakPolarHBondContact CE-OD2 3.45Å; K513-D587 WeakPolarHBondContact CG-OD1 3.15Å; K513-D587 IonicContact NZ-OD1 2.91Å; K513-D587 PolarHBondContact NZ-OD1 2.86Å; K513-D587 IonicContact NZ-OD2 3.08Å; K513-D587 PolarHBondContact NZ-OD2 3.39Å
514	F	92.9	Very high	94.2	Very high	8 Å²	8	16.8 Å²	16.8	4%	0.035	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	132.2	169.3	178.4	-102.5	0	0	0	111	A516 L530 V558 F582 F584 L622	F514-A516 HydrophobicContact CE1-CB 4.09Å; F514-A516 HydrophobicContact CZ-CB 4.34Å; F514-L530 HydrophobicContact CD1-CD1 4.38Å; F514-L530 HydrophobicContact CD1-CD2 3.61Å; F514-L530 HydrophobicContact CE1-CD1 4.24Å; F514-L530 HydrophobicContact CE1-CD2 3.56Å; F514-L530 HydrophobicContact CE1-CG 4.34Å; F514-L530 HydrophobicContact CG-CD2 4.4Å; F514-L530 HydrophobicContact CZ-CD2 4.3Å; F514-V558 HydrophobicContact CD1-CG1 3.62Å; F514-V558 HydrophobicContact CE1-CG1 3.78Å; F514-F582 HydrophobicContact CE1-CD1 4.43Å; F514-F582 HydrophobicContact CE2-CB 4.06Å; F514-F582 HydrophobicContact CE2-CD1 4.05Å; F514-F582 HydrophobicContact CE2-CG 4.31Å; F514-F582 HydrophobicContact CZ-CB 4.32Å; F514-F582 AromaticContact CZ-CD1 3.44Å; F514-F582 HydrophobicContact CZ-CD1 3.44Å; F514-F582 VanDerWaalsContact CZ-CD1 3.44Å; F514-F582 AromaticContact CZ-CE1 3.97Å; F514-F582 HydrophobicContact CZ-CE1 3.97Å; F514-F582 HydrophobicContact CZ-CG 4.11Å; F514-F584 HydrophobicContact CB-CD1 4.33Å; F514-F584 HydrophobicContact CB-CE1 3.97Å; F514-F584 HydrophobicContact CB-CZ 4.15Å; F514-F584 AromaticContact CD2-CD2 4Å; F514-F584 HydrophobicContact CD2-CD2 4Å; F514-F584 HydrophobicContact CD2-CE1 4.46Å; F514-F584 AromaticContact CD2-CE2 3.69Å; F514-F584 HydrophobicContact CD2-CE2 3.69Å; F514-F584 AromaticContact CD2-CZ 3.94Å; F514-F584 HydrophobicContact CD2-CZ 3.94Å; F514-F584 HydrophobicContact CE2-CE2 4.38Å; F514-F584 HydrophobicContact CG-CZ 4.44Å; F514-L622 HydrophobicContact CD2-CD1 3.96Å; F514-L622 HydrophobicContact CE1-CD1 4.49Å; F514-L622 HydrophobicContact CE2-CD1 3.37Å; F514-L622 HydrophobicContact CZ-CD1 3.67Å; F514-L622 HydrophobicContact CZ-CD2 4.33Å
515	R	94.3	Very high	94.2	Very high	73 Å²	73	16.9 Å²	16.9	28%	0.275	9%	0.085	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.9	172.7	-66.5	-175.1	-179.9	166.8	7.6	110.5	V558 S583 V585	R515-V558 WeakPolarHBondContact CA-O 3.11Å; R515-S583 PolarHBondContact N-O 3.02Å; R515-S583 PolarHBondContact O-N 2.92Å; R515-V585 HydrophobicContact CG-CG2 3.98Å
516	A	96.2	Very high	94.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	109	170	0	0	0	0	0	109.2	F514 I526 V558 I559 R560 V580 F582	F514-A516 HydrophobicContact CE1-CB 4.09Å; F514-A516 HydrophobicContact CZ-CB 4.34Å; A516-I526 HydrophobicContact CB-CD1 4.09Å; A516-I526 HydrophobicContact CB-CG2 4.25Å; A516-V558 HydrophobicContact CB-CG1 4.14Å; A516-V558 PolarHBondContact N-O 3.45Å; A516-I559 HydrophobicContact CB-CD1 4.24Å; A516-I559 WeakPolarHBondContact O-CA 3.12Å; A516-R560 PolarHBondContact O-N 3.48Å; A516-V580 HydrophobicContact CB-CG2 4.37Å; A516-F582 HydrophobicContact CB-CD1 3.94Å; A516-F582 HydrophobicContact CB-CE1 4.01Å
517	K	96.3	Very high	94.4	Very high	41 Å²	41	17.2 Å²	17.2	18%	0.178	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	113.3	174.1	-58	159.7	-178.1	176.9	0	107	R560 L562 P563 V580 E581	K517-R560 CarbonylContact C-O 3.57Å; K517-R560 VanDerWaalsContact CA-O 3.23Å; K517-R560 WeakPolarHBondContact CA-O 3.48Å; K517-R560 HydrophobicContact CG-CB 4.08Å; K517-L562 HydrophobicContact CB-CD2 3.93Å; K517-L562 WeakPolarHBondContact O-CD2 3.18Å; K517-P563 HydrophobicContact CD-CG 4.14Å; K517-V580 CarbonylContact O-C 3.59Å; K517-V580 WeakPolarHBondContact O-CA 3.3Å; K517-E581 HydrophobicContact CB-CB 4.36Å; K517-E581 HydrophobicContact CD-CB 4.45Å; K517-E581 HydrophobicContact CD-CG 4.49Å; K517-E581 WeakPolarHBondContact CD-OE1 3.46Å; K517-E581 PolarHBondContact N-O 3.22Å; K517-E581 IonicContact NZ-OE1 3.54Å; K517-E581 PolarHBondContact NZ-OE1 3.42Å; K517-E581 PolarHBondContact O-N 3.37Å
518	T	96.6	Very high	94.4	Very high	6 Å²	6	18.9 Å²	18.9	4%	0.037	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	165	-165.8	-167	0	0	0	0	115.7	L522 I526 I559 R560 A579 V580	T518-L522 WeakPolarHBondContact OG1-CB 3.42Å; T518-L522 WeakPolarHBondContact OG1-CD1 3.49Å; T518-I526 HydrophobicContact CG2-CD1 3.78Å; T518-I559 HydrophobicContact CG2-CD1 4.16Å; T518-I559 HydrophobicContact CG2-CG2 4.08Å; T518-R560 PolarHBondContact N-O 2.82Å; T518-A579 VanDerWaalsContact CA-O 3.28Å; T518-A579 WeakPolarHBondContact CA-O 3.31Å; T518-A579 PolarHBondContact OG1-O 3.21Å; T518-V580 WeakPolarHBondContact OG1-CB 3.29Å
519	S	94.4	Very high	94.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.			trans	-66.5	144.1	161.8	161.1	0	0	0	0	111.5	L521 L522 A579 E711	S519-L521 PolarHBondContact O-N 2.53Å; S519-L521 PolarHBondContact OG-N 3.45Å; S519-L522 PolarHBondContact O-N 2.74Å; S519-L522 VanDerWaalsContact O-N 3.16Å; S519-A579 PolarHBondContact N-O 3.05Å; S519-A579 VanDerWaalsContact N-O 3.08Å; S519-E711 WeakPolarHBondContact CB-OE2 3.47Å; S519-E711 PolarHBondContact OG-OE1 2.96Å; S519-E711 PolarHBondContact OG-OE2 2.91Å
520	P	94.3	Very high	94.5	Very high	24 Å²	24	18 Å²	18	16%	0.156	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-50	-29.5	173.2	-27.4	34.9	0	0	0	114.9	L522 T523 R642 Y643 V646	P520-L522 PolarHBondContact O-N 2.77Å; P520-T523 WeakPolarHBondContact O-CB 3.39Å; P520-T523 PolarHBondContact O-N 3.04Å; P520-T523 PolarHBondContact O-OG1 3.12Å; P520-R642 HydrophobicContact CB-CB 4.19Å; P520-Y643 HydrophobicContact CG-CD1 4.43Å; P520-Y643 HydrophobicContact CG-CE1 3.91Å; P520-V646 HydrophobicContact CB-CG2 3.96Å; P520-V646 HydrophobicContact CG-CG2 3.74Å
521	L	95.8	Very high	94.6	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-60.4	-29.5	-178.5	-65.9	-171.8	0	0	0	113.7	S519 P578 L638 D639 F640 Y643 V710 E711	S519-L521 PolarHBondContact O-N 2.53Å; S519-L521 PolarHBondContact OG-N 3.45Å; L521-P578 HydrophobicContact CB-CB 4.39Å; L521-P578 HydrophobicContact CD1-CB 4.12Å; L521-P578 HydrophobicContact CD1-CG 4.32Å; L521-L638 HydrophobicContact CB-CB 4.41Å; L521-D639 WeakPolarHBondContact CD2-O 3.34Å; L521-D639 PolarHBondContact O-N 2.73Å; L521-F640 VanDerWaalsContact CD2-CA 3.48Å; L521-F640 HydrophobicContact CD2-CB 4.29Å; L521-Y643 HydrophobicContact CD1-CE2 4.32Å; L521-Y643 HydrophobicContact CD2-CD2 3.71Å; L521-Y643 HydrophobicContact CD2-CE2 3.85Å; L521-Y643 HydrophobicContact CG-CD2 4.17Å; L521-Y643 HydrophobicContact CG-CE2 3.76Å; L521-V710 HydrophobicContact CD1-CB 4.33Å; L521-V710 HydrophobicContact CD1-CG1 4.3Å; L521-V710 HydrophobicContact CD2-CG1 4.03Å; L521-E711 HydrophobicContact CD1-CB 4.07Å; L521-E711 WeakPolarHBondContact CD1-OE2 3.3Å; L521-E711 WeakPolarHBondContact CG-OE2 3.27Å
522	L	97.1	Very high	94.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-91	-9.3	-174.8	-72.7	164.9	0	0	0	113.4	V500 T518 S519 P520 S524 L525 I526 P578 V580 L638	V500-L522 HydrophobicContact CG1-CD1 4.01Å; V500-L522 HydrophobicContact CG1-CD2 4.19Å; V500-L522 HydrophobicContact CG2-CD2 3.87Å; T518-L522 WeakPolarHBondContact OG1-CB 3.42Å; T518-L522 WeakPolarHBondContact OG1-CD1 3.49Å; S519-L522 PolarHBondContact O-N 2.74Å; S519-L522 VanDerWaalsContact O-N 3.16Å; P520-L522 PolarHBondContact O-N 2.77Å; L522-S524 PolarHBondContact O-N 2.66Å; L522-L525 HydrophobicContact CD2-CD2 4.04Å; L522-L525 PolarHBondContact O-N 3.05Å; L522-L525 VanDerWaalsContact O-N 3.14Å; L522-I526 HydrophobicContact CB-CD1 3.87Å; L522-I526 HydrophobicContact CB-CG1 4.41Å; L522-I526 VanDerWaalsContact O-CG1 3.32Å; L522-I526 WeakPolarHBondContact O-CG1 3.45Å; L522-I526 PolarHBondContact O-N 2.97Å; L522-P578 HydrophobicContact CD1-CB 4.48Å; L522-V580 HydrophobicContact CD1-CB 3.92Å; L522-V580 HydrophobicContact CD1-CG1 4.06Å; L522-L638 HydrophobicContact CD2-CD2 3.49Å; L522-L638 VanDerWaalsContact CD2-CD2 3.49Å; L522-L638 HydrophobicContact CG-CD2 4.15Å
523	T	95.6	Very high	95.1	Very high	11 Å²	11	23 Å²	23	7%	0.067	11%	0.113	C	C	.	.	H	α-helix	trans	-52.4	-51.9	-173.1	-51.1	0	0	0	0	112.7	P520 L525 I526 E527 W554 I559	P520-T523 WeakPolarHBondContact O-CB 3.39Å; P520-T523 PolarHBondContact O-N 3.04Å; P520-T523 PolarHBondContact O-OG1 3.12Å; T523-L525 VanDerWaalsContact C-N 3.34Å; T523-L525 PolarHBondContact O-N 2.82Å; T523-I526 PolarHBondContact O-N 2.68Å; T523-E527 PolarHBondContact O-N 3.41Å; T523-W554 HydrophobicContact CG2-CH2 3.68Å; T523-W554 HydrophobicContact CG2-CZ2 3.91Å; T523-W554 WeakPolarHBondContact O-CH2 3.48Å; T523-I559 HydrophobicContact CG2-CD1 4.31Å; T523-I559 HydrophobicContact CG2-CG1 4.12Å
524	S	95.4	Very high	95.3	Very high	38 Å²	38	25.7 Å²	25.7	27%	0.266	13%	0.13	S	C	.	.	H	α-helix	trans	-69.6	-32.2	-176.4	-58.4	0	0	0	0	112.2	L522 S528 D639 R642	L522-S524 PolarHBondContact O-N 2.66Å; S524-S528 PolarHBondContact O-N 2.84Å; S524-D639 PolarHBondContact OG-OD2 2.83Å; S524-R642 PolarHBondContact OG-NH2 2.88Å
525	L	96.8	Very high	95.2	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-67.8	-47.4	173.2	177.5	59.7	0	0	0	111	L522 T523 E527 S528 V529 L626 R629 L630 P637	L522-L525 HydrophobicContact CD2-CD2 4.04Å; L522-L525 PolarHBondContact O-N 3.05Å; L522-L525 VanDerWaalsContact O-N 3.14Å; T523-L525 VanDerWaalsContact C-N 3.34Å; T523-L525 PolarHBondContact O-N 2.82Å; L525-E527 VanDerWaalsContact C-N 3.3Å; L525-E527 PolarHBondContact O-N 2.95Å; L525-S528 PolarHBondContact O-N 2.83Å; L525-S528 VanDerWaalsContact O-N 3.1Å; L525-S528 PolarHBondContact O-OG 3.43Å; L525-V529 HydrophobicContact CD1-CG2 4.4Å; L525-V529 WeakPolarHBondContact O-CG2 3.4Å; L525-V529 PolarHBondContact O-N 3.22Å; L525-V529 VanDerWaalsContact O-N 3.1Å; L525-L626 HydrophobicContact CD2-CD1 3.98Å; L525-L626 HydrophobicContact CD2-CG 3.91Å; L525-L626 HydrophobicContact CG-CD1 4.31Å; L525-L626 HydrophobicContact CG-CG 4.48Å; L525-R629 HydrophobicContact CD1-CB 3.82Å; L525-R629 HydrophobicContact CD1-CG 4.01Å; L525-L630 HydrophobicContact CD2-CD1 4.35Å; L525-L630 HydrophobicContact CD2-CD2 3.78Å; L525-L630 HydrophobicContact CD2-CG 3.92Å; L525-P637 HydrophobicContact CD1-CB 4.21Å; L525-P637 HydrophobicContact CD1-CG 3.94Å; L525-P637 HydrophobicContact CD2-CG 4.11Å
526	I	97.4	Very high	95	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-58.3	-44.8	177.5	-68.6	162.1	0	0	0	110.1	A516 T518 L522 T523 S528 V529 L530 I559 V580 F582 L626	A516-I526 HydrophobicContact CB-CD1 4.09Å; A516-I526 HydrophobicContact CB-CG2 4.25Å; T518-I526 HydrophobicContact CG2-CD1 3.78Å; L522-I526 HydrophobicContact CB-CD1 3.87Å; L522-I526 HydrophobicContact CB-CG1 4.41Å; L522-I526 VanDerWaalsContact O-CG1 3.32Å; L522-I526 WeakPolarHBondContact O-CG1 3.45Å; L522-I526 PolarHBondContact O-N 2.97Å; T523-I526 PolarHBondContact O-N 2.68Å; I526-S528 VanDerWaalsContact C-N 3.29Å; I526-S528 PolarHBondContact O-N 3.04Å; I526-V529 PolarHBondContact O-N 3.09Å; I526-L530 HydrophobicContact CG2-CD1 3.81Å; I526-L530 HydrophobicContact CG2-CG 4.18Å; I526-L530 VanDerWaalsContact O-CG 3.31Å; I526-L530 WeakPolarHBondContact O-CG 3.39Å; I526-L530 PolarHBondContact O-N 3.29Å; I526-I559 HydrophobicContact CD1-CD1 4.43Å; I526-I559 HydrophobicContact CG2-CD1 4.46Å; I526-V580 HydrophobicContact CD1-CG2 4.05Å; I526-F582 HydrophobicContact CD1-CE1 4.37Å; I526-F582 HydrophobicContact CG1-CE1 4.24Å; I526-F582 HydrophobicContact CG1-CZ 4.49Å; I526-L626 HydrophobicContact CG1-CD1 4.39Å
527	E	96.1	Very high	94.4	Very high	32 Å²	32	25.3 Å²	25.3	15%	0.15	14%	0.136	C	C	.	.	H	α-helix	trans	-54.4	-46.5	175	-165.1	-175.4	161.5	0	0	112	T523 L525 V529 L530 K531 Y544 W554	T523-E527 PolarHBondContact O-N 3.41Å; L525-E527 VanDerWaalsContact C-N 3.3Å; L525-E527 PolarHBondContact O-N 2.95Å; E527-V529 VanDerWaalsContact C-N 3.29Å; E527-V529 PolarHBondContact O-N 3.34Å; E527-L530 PolarHBondContact O-N 3.49Å; E527-K531 WeakPolarHBondContact O-CG 3.47Å; E527-K531 PolarHBondContact O-N 2.92Å; E527-K531 WeakPolarHBondContact OE1-CE 3.31Å; E527-K531 IonicContact OE1-NZ 3.96Å; E527-K531 PolarHBondContact OE1-NZ 3.13Å; E527-Y544 HydrophobicContact CG-CD2 4.1Å; E527-Y544 HydrophobicContact CG-CE2 3.64Å; E527-Y544 PolarHBondContact OE1-OH 3.38Å; E527-W554 HydrophobicContact CB-CH2 3.67Å; E527-W554 HydrophobicContact CB-CZ2 3.44Å; E527-W554 VanDerWaalsContact CB-CZ2 3.44Å; E527-W554 HydrophobicContact CB-CZ3 4.46Å; E527-W554 VanDerWaalsContact CD-NE1 3.34Å; E527-W554 HydrophobicContact CG-CD2 4.29Å; E527-W554 HydrophobicContact CG-CH2 4.12Å; E527-W554 HydrophobicContact CG-CZ2 3.51Å; E527-W554 WeakPolarHBondContact OE2-CZ2 3.48Å; E527-W554 PolarHBondContact OE2-NE1 3.39Å
528	S	95.6	Very high	93.7	Very high	35 Å²	35	27.4 Å²	27.4	25%	0.245	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-33.7	-178.6	77.6	0	0	0	0	112.9	S524 L525 I526 Q532	S524-S528 PolarHBondContact O-N 2.84Å; L525-S528 PolarHBondContact O-N 2.83Å; L525-S528 VanDerWaalsContact O-N 3.1Å; L525-S528 PolarHBondContact O-OG 3.43Å; I526-S528 VanDerWaalsContact C-N 3.29Å; I526-S528 PolarHBondContact O-N 3.04Å; S528-Q532 PolarHBondContact O-NE2 3.41Å
529	V	96.1	Very high	93	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-78.6	-37.7	178.1	-178.9	0	0	0	0	110.7	L525 I526 E527 K531 Q532 V533 L622 Q625	L525-V529 HydrophobicContact CD1-CG2 4.4Å; L525-V529 WeakPolarHBondContact O-CG2 3.4Å; L525-V529 PolarHBondContact O-N 3.22Å; L525-V529 VanDerWaalsContact O-N 3.1Å; I526-V529 PolarHBondContact O-N 3.09Å; E527-V529 VanDerWaalsContact C-N 3.29Å; E527-V529 PolarHBondContact O-N 3.34Å; V529-K531 PolarHBondContact O-N 3.17Å; V529-Q532 PolarHBondContact O-N 3.48Å; V529-V533 HydrophobicContact CG1-CG2 3.98Å; V529-V533 PolarHBondContact O-N 3.41Å; V529-L622 HydrophobicContact CB-CD2 4.44Å; V529-L622 HydrophobicContact CG1-CD2 3.75Å; V529-Q625 HydrophobicContact CG1-CB 3.73Å; V529-Q625 HydrophobicContact CG2-CB 4.46Å
530	L	95.4	Very high	92.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-29.4	177.2	-72.8	171.4	0	0	0	113.1	F514 I526 E527 Q532 L543 Y544 W554 V558 L622	F514-L530 HydrophobicContact CD1-CD1 4.38Å; F514-L530 HydrophobicContact CD1-CD2 3.61Å; F514-L530 HydrophobicContact CE1-CD1 4.24Å; F514-L530 HydrophobicContact CE1-CD2 3.56Å; F514-L530 HydrophobicContact CE1-CG 4.34Å; F514-L530 HydrophobicContact CG-CD2 4.4Å; F514-L530 HydrophobicContact CZ-CD2 4.3Å; I526-L530 HydrophobicContact CG2-CD1 3.81Å; I526-L530 HydrophobicContact CG2-CG 4.18Å; I526-L530 VanDerWaalsContact O-CG 3.31Å; I526-L530 WeakPolarHBondContact O-CG 3.39Å; I526-L530 PolarHBondContact O-N 3.29Å; E527-L530 PolarHBondContact O-N 3.49Å; L530-Q532 PolarHBondContact O-N 3.3Å; L530-L543 HydrophobicContact CD2-CB 3.67Å; L530-L543 HydrophobicContact CD2-CD1 3.93Å; L530-L543 HydrophobicContact CD2-CG 4.47Å; L530-Y544 WeakPolarHBondContact O-CB 3.46Å; L530-Y544 PolarHBondContact O-N 2.95Å; L530-Y544 VanDerWaalsContact O-N 3.11Å; L530-W554 HydrophobicContact CD1-CE3 4.34Å; L530-W554 HydrophobicContact CD1-CZ3 4.17Å; L530-V558 HydrophobicContact CD1-CG1 4.17Å; L530-L622 HydrophobicContact CD2-CD2 3.78Å; L530-L622 HydrophobicContact CG-CD2 4.36Å
531	K	95.4	Very high	92.4	Very high	96 Å²	96	39.1 Å²	39.1	42%	0.417	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-4.7	174.1	-70.5	172.5	-176.8	168.3	0	113.9	E527 V529 Y544	E527-K531 WeakPolarHBondContact O-CG 3.47Å; E527-K531 PolarHBondContact O-N 2.92Å; E527-K531 WeakPolarHBondContact OE1-CE 3.31Å; E527-K531 IonicContact OE1-NZ 3.96Å; E527-K531 PolarHBondContact OE1-NZ 3.13Å; V529-K531 PolarHBondContact O-N 3.17Å; K531-Y544 HydrophobicContact CD-CD1 4.37Å; K531-Y544 HydrophobicContact CD-CE1 4.46Å; K531-Y544 HydrophobicContact CD-CG 4.43Å; K531-Y544 VanDerWaalsContact CE-CE1 3.44Å; K531-Y544 HydrophobicContact CG-CD1 3.7Å; K531-Y544 HydrophobicContact CG-CD2 3.98Å; K531-Y544 HydrophobicContact CG-CE1 4.26Å; K531-Y544 HydrophobicContact CG-CG 3.52Å
532	Q	93.3	Very high	92.3	Very high	63 Å²	63	40 Å²	40	29%	0.294	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-7.5	-173.9	-64.4	178.5	67.3	0	0	113.4	W134 S528 V529 L530	W134-Q532 VanDerWaalsContact CZ2-OE1 3.31Å; S528-Q532 PolarHBondContact O-NE2 3.41Å; V529-Q532 PolarHBondContact O-N 3.48Å; L530-Q532 PolarHBondContact O-N 3.3Å
533	V	93.8	Very high	92.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-106.7	124.2	-179.9	177.3	0	0	0	0	108.6	V529 T542 L543 Q621 L622	V529-V533 HydrophobicContact CG1-CG2 3.98Å; V529-V533 PolarHBondContact O-N 3.41Å; V533-T542 CarbonylContact O-C 3.48Å; V533-T542 VanDerWaalsContact O-CA 3.29Å; V533-T542 WeakPolarHBondContact O-CA 3.4Å; V533-L543 HydrophobicContact CB-CD1 4.15Å; V533-L543 HydrophobicContact CG1-CD1 3.78Å; V533-L543 HydrophobicContact CG1-CG 4.42Å; V533-L543 PolarHBondContact O-N 2.75Å; V533-Q621 HydrophobicContact CG1-CB 4.19Å; V533-Q621 HydrophobicContact CG2-CB 4.32Å; V533-L622 HydrophobicContact CB-CG 4.35Å; V533-L622 HydrophobicContact CG1-CG 4.21Å; V533-L622 HydrophobicContact CG2-CD2 4.22Å; V533-L622 HydrophobicContact CG2-CG 4.06Å
534	D	92.3	Very high	91.9	Very high	103 Å²	103	41.8 Å²	41.8	55%	0.551	24%	0.244	S	C	*	.	B	Isolated β-bridge	trans	-65.2	143.1	177.6	-68	-28	0	0	0	111
535	S	91.2	Very high	91.7	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.063	25%	0.253	C	S	.	.			trans	-69.6	130.4	173.6	176.3	0	0	0	0	110.1	N537 H538 Q541 Q546	S535-N537 PolarHBondContact O-N 3.26Å; S535-N537 PolarHBondContact OG-N 2.81Å; S535-H538 PolarHBondContact OG-N 3.17Å; S535-Q541 WeakPolarHBondContact CB-O 3.4Å; S535-Q541 PolarHBondContact N-O 3.21Å; S535-Q546 PolarHBondContact OG-OE1 3.37Å
536	P	89.4	Confident	91.3	Very high	31 Å²	31	45.7 Å²	45.7	20%	0.201	26%	0.257	C	S	.	.	S	Bend	trans	-68.2	-12.6	173	29.8	-34.3	0	0	0	112.5	F584 A614 V615 A618	P536-F584 HydrophobicContact CG-CE1 4.02Å; P536-F584 HydrophobicContact CG-CZ 4.05Å; P536-A614 HydrophobicContact CB-CB 4.42Å; P536-V615 HydrophobicContact CB-CG2 4.15Å; P536-V615 HydrophobicContact CG-CG2 4.18Å; P536-A618 HydrophobicContact CB-CB 4.38Å; P536-A618 HydrophobicContact CG-CB 4.11Å
537	N	83.9	Confident	90.8	Very high	33 Å²	33	46.3 Å²	46.3	18%	0.176	26%	0.262	C	S	.	.	S	Bend	trans	-102.9	-31.7	-177.5	-66.8	-14.6	0	0	0	113.8	N511 S535 R611	N511-N537 PolarHBondContact O-ND2 2.87Å; S535-N537 PolarHBondContact O-N 3.26Å; S535-N537 PolarHBondContact OG-N 2.81Å; N537-R611 PolarHBondContact OD1-NH1 3.3Å
538	H	81.8	Confident	90.4	Very high	86 Å²	86	47.2 Å²	47.2	40%	0.398	27%	0.269	S	S	.	.	S	Bend	trans	-123.3	103.7	-171.8	-62.1	-75.7	0	0	0	110.3	S535 G540 Q541	S535-H538 PolarHBondContact OG-N 3.17Å; H538-G540 PolarHBondContact O-N 2.9Å; H538-Q541 HydrophobicContact CB-CB 4.1Å; H538-Q541 HydrophobicContact CB-CG 4.42Å; H538-Q541 PolarHBondContact O-N 2.99Å
539	S	82.8	Confident	89.6	Confident	131 Å²	131	54 Å²	54	92%	0.916	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	130.8	178.9	-170.3	0	0	0	0	111.1	Q541	S539-Q541 VanDerWaalsContact C-N 3.32Å
540	G	84.1	Confident	88.7	Confident	72 Å²	72	58.9 Å²	58.9	74%	0.742	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	11.5	179	0	0	0	0	0	114.9	H538	H538-G540 PolarHBondContact O-N 2.9Å
541	Q	91.1	Very high	87.8	Confident	72 Å²	72	61.1 Å²	61.1	34%	0.336	34%	0.336	S	S	.	.			trans	-121.8	144	172.2	-66.2	-177	-10	0	0	110.7	S535 H538 S539 E545	S535-Q541 WeakPolarHBondContact CB-O 3.4Å; S535-Q541 PolarHBondContact N-O 3.21Å; H538-Q541 HydrophobicContact CB-CB 4.1Å; H538-Q541 HydrophobicContact CB-CG 4.42Å; H538-Q541 PolarHBondContact O-N 2.99Å; S539-Q541 VanDerWaalsContact C-N 3.32Å; Q541-E545 WeakPolarHBondContact CA-OE2 3.41Å; Q541-E545 HydrophobicContact CB-CB 4.45Å
542	T	93.6	Very high	87.1	Confident	20 Å²	20	62.2 Å²	62.2	12%	0.123	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-79.2	161.6	170.1	64.4	0	0	0	0	111.1	V533 Y544 E545 Q546	V533-T542 CarbonylContact O-C 3.48Å; V533-T542 VanDerWaalsContact O-CA 3.29Å; V533-T542 WeakPolarHBondContact O-CA 3.4Å; T542-Y544 PolarHBondContact O-N 2.83Å; T542-E545 PolarHBondContact N-OE2 3.23Å; T542-E545 PolarHBondContact O-N 3.49Å; T542-E545 VanDerWaalsContact OG1-CG 3.29Å; T542-E545 WeakPolarHBondContact OG1-CG 3.2Å; T542-E545 PolarHBondContact OG1-N 2.96Å; T542-E545 PolarHBondContact OG1-OE2 2.62Å; T542-Q546 PolarHBondContact O-N 3.14Å; T542-Q546 VanDerWaalsContact O-N 3.08Å
543	L	92.4	Very high	86.8	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-58.4	-34.9	173	-70.9	174.4	0	0	0	112.2	L530 V533 V547 F584 L622	L530-L543 HydrophobicContact CD2-CB 3.67Å; L530-L543 HydrophobicContact CD2-CD1 3.93Å; L530-L543 HydrophobicContact CD2-CG 4.47Å; V533-L543 HydrophobicContact CB-CD1 4.15Å; V533-L543 HydrophobicContact CG1-CD1 3.78Å; V533-L543 HydrophobicContact CG1-CG 4.42Å; V533-L543 PolarHBondContact O-N 2.75Å; L543-V547 WeakPolarHBondContact O-CG2 3.38Å; L543-V547 PolarHBondContact O-N 2.87Å; L543-F584 HydrophobicContact CD1-CZ 4.05Å; L543-F584 HydrophobicContact CD2-CE1 3.94Å; L543-F584 HydrophobicContact CD2-CZ 3.69Å; L543-L622 HydrophobicContact CD1-CD1 3.55Å; L543-L622 HydrophobicContact CD1-CD2 4.48Å; L543-L622 HydrophobicContact CD1-CG 4.18Å
544	Y	92.7	Very high	86.6	Confident	47 Å²	47	62.8 Å²	62.8	18%	0.184	36%	0.361	C	S	.	.	H	α-helix	trans	-64.8	-45.7	175.4	-175.7	-96.9	0	0	0	112.3	E527 L530 K531 T542 Q546 V547 V548 W554	E527-Y544 HydrophobicContact CG-CD2 4.1Å; E527-Y544 HydrophobicContact CG-CE2 3.64Å; E527-Y544 PolarHBondContact OE1-OH 3.38Å; L530-Y544 WeakPolarHBondContact O-CB 3.46Å; L530-Y544 PolarHBondContact O-N 2.95Å; L530-Y544 VanDerWaalsContact O-N 3.11Å; K531-Y544 HydrophobicContact CD-CD1 4.37Å; K531-Y544 HydrophobicContact CD-CE1 4.46Å; K531-Y544 HydrophobicContact CD-CG 4.43Å; K531-Y544 VanDerWaalsContact CE-CE1 3.44Å; K531-Y544 HydrophobicContact CG-CD1 3.7Å; K531-Y544 HydrophobicContact CG-CD2 3.98Å; K531-Y544 HydrophobicContact CG-CE1 4.26Å; K531-Y544 HydrophobicContact CG-CG 3.52Å; T542-Y544 PolarHBondContact O-N 2.83Å; Y544-Q546 VanDerWaalsContact C-N 3.34Å; Y544-Q546 PolarHBondContact O-N 2.9Å; Y544-V547 PolarHBondContact O-N 3.29Å; Y544-V548 HydrophobicContact CD1-CG2 3.96Å; Y544-V548 HydrophobicContact CD2-CG2 4.37Å; Y544-V548 HydrophobicContact CE1-CB 4.42Å; Y544-V548 HydrophobicContact CE1-CG2 3.52Å; Y544-V548 HydrophobicContact CE2-CG2 3.97Å; Y544-V548 HydrophobicContact CG-CG2 4.37Å; Y544-V548 WeakPolarHBondContact O-CG2 3.29Å; Y544-V548 PolarHBondContact O-N 3.3Å; Y544-W554 HydrophobicContact CD2-CG 4.41Å; Y544-W554 HydrophobicContact CE2-CB 4.14Å; Y544-W554 AromaticContact CE2-CD1 3.7Å; Y544-W554 HydrophobicContact CE2-CD2 4.1Å; Y544-W554 AromaticContact CE2-CG 3.69Å; Y544-W554 HydrophobicContact CE2-CG 3.69Å
545	E	91.3	Very high	86.4	Confident	97 Å²	97	60 Å²	60	45%	0.453	35%	0.346	S	S	.	.	H	α-helix	trans	-63.7	-39.6	-179.9	-73.5	165.6	157.9	0	0	112	Q541 T542 V547 V548 F549	Q541-E545 WeakPolarHBondContact CA-OE2 3.41Å; Q541-E545 HydrophobicContact CB-CB 4.45Å; T542-E545 PolarHBondContact N-OE2 3.23Å; T542-E545 PolarHBondContact O-N 3.49Å; T542-E545 VanDerWaalsContact OG1-CG 3.29Å; T542-E545 WeakPolarHBondContact OG1-CG 3.2Å; T542-E545 PolarHBondContact OG1-N 2.96Å; T542-E545 PolarHBondContact OG1-OE2 2.62Å; E545-V547 VanDerWaalsContact C-N 3.29Å; E545-V547 PolarHBondContact O-N 3Å; E545-V548 PolarHBondContact O-N 3.34Å; E545-F549 WeakPolarHBondContact O-CB 3.29Å; E545-F549 PolarHBondContact O-N 3.1Å
546	Q	87.3	Confident	86.2	Confident	25 Å²	25	62.2 Å²	62.2	12%	0.117	37%	0.365	C	S	.	.	H	α-helix	trans	-56.9	-43.8	174.5	-177.5	-173.2	-19.2	0	0	111.7	D512 S535 T542 Y544 T550	D512-Q546 PolarHBondContact O-NE2 3.47Å; S535-Q546 PolarHBondContact OG-OE1 3.37Å; T542-Q546 PolarHBondContact O-N 3.14Å; T542-Q546 VanDerWaalsContact O-N 3.08Å; Y544-Q546 VanDerWaalsContact C-N 3.34Å; Y544-Q546 PolarHBondContact O-N 2.9Å; Q546-T550 PolarHBondContact O-OG1 3.44Å
547	V	86.5	Confident	86.2	Confident	16 Å²	16	62.3 Å²	62.3	10%	0.097	36%	0.363	C	S	.	.	H	α-helix	trans	-71.3	-51.4	-179.3	173.9	0	0	0	0	110.9	L543 Y544 E545 F549 T550 N551 W554 E557 V558	L543-V547 WeakPolarHBondContact O-CG2 3.38Å; L543-V547 PolarHBondContact O-N 2.87Å; Y544-V547 PolarHBondContact O-N 3.29Å; E545-V547 VanDerWaalsContact C-N 3.29Å; E545-V547 PolarHBondContact O-N 3Å; V547-F549 VanDerWaalsContact C-N 3.29Å; V547-F549 PolarHBondContact O-N 2.86Å; V547-T550 PolarHBondContact O-N 2.98Å; V547-N551 PolarHBondContact O-N 3.44Å; V547-W554 HydrophobicContact CG1-CB 3.81Å; V547-E557 HydrophobicContact CG1-CB 3.91Å; V547-E557 HydrophobicContact CG1-CG 4.17Å; V547-V558 HydrophobicContact CB-CG2 4.36Å; V547-V558 HydrophobicContact CG1-CG2 3.87Å; V547-V558 HydrophobicContact CG2-CG2 3.7Å
548	V	87.7	Confident	86.6	Confident	50 Å²	50	60.8 Å²	60.8	30%	0.303	35%	0.354	S	S	.	.	H	α-helix	trans	-65.1	-33.7	-175.1	171.9	0	0	0	0	112.3	Y544 E545 T550 N551 W554	Y544-V548 HydrophobicContact CD1-CG2 3.96Å; Y544-V548 HydrophobicContact CD2-CG2 4.37Å; Y544-V548 HydrophobicContact CE1-CB 4.42Å; Y544-V548 HydrophobicContact CE1-CG2 3.52Å; Y544-V548 HydrophobicContact CE2-CG2 3.97Å; Y544-V548 HydrophobicContact CG-CG2 4.37Å; Y544-V548 WeakPolarHBondContact O-CG2 3.29Å; Y544-V548 PolarHBondContact O-N 3.3Å; E545-V548 PolarHBondContact O-N 3.34Å; V548-T550 PolarHBondContact O-N 3.08Å; V548-N551 WeakPolarHBondContact CA-O 3.33Å; V548-N551 CarbonylContact O-C 3.57Å; V548-W554 HydrophobicContact CG2-CB 3.92Å
549	F	79.6	Confident	87.2	Confident	178 Å²	178	58.3 Å²	58.3	78%	0.781	34%	0.344	S	S	*	.	H	α-helix	trans	-60.1	-35.8	173.6	-176.1	-96.2	0	0	0	112	E545 V547	E545-F549 WeakPolarHBondContact O-CB 3.29Å; E545-F549 PolarHBondContact O-N 3.1Å; V547-F549 VanDerWaalsContact C-N 3.29Å; V547-F549 PolarHBondContact O-N 2.86Å
550	T	76.5	Confident	87.7	Confident	104 Å²	104	55.5 Å²	55.5	64%	0.638	31%	0.313	S	S	*	.	H	α-helix	trans	-86.7	-39.5	-177.6	-50.2	0	0	0	0	112.1	Q546 V547 V548	Q546-T550 PolarHBondContact O-OG1 3.44Å; V547-T550 PolarHBondContact O-N 2.98Å; V548-T550 PolarHBondContact O-N 3.08Å
551	N	77.8	Confident	88.1	Confident	49 Å²	49	56.8 Å²	56.8	26%	0.262	31%	0.308	S	S	.	.			trans	-143	119	-178	-172.9	-17.8	0	0	0	110.4	V547 V548 S553	V547-N551 PolarHBondContact O-N 3.44Å; V548-N551 WeakPolarHBondContact CA-O 3.33Å; V548-N551 CarbonylContact O-C 3.57Å; N551-S553 PolarHBondContact O-N 3Å; N551-S553 VanDerWaalsContact O-N 3.1Å; N551-S553 PolarHBondContact OD1-N 3.24Å
552	P	80.2	Confident	88.3	Confident	119 Å²	119	53.8 Å²	53.8	77%	0.773	30%	0.295	S	S	*	.	S	Bend	trans	-58	-25.5	179	-24.7	33.6	0	0	0	114.5	W554	P552-W554 PolarHBondContact O-N 3.26Å
553	S	86.1	Confident	88.1	Confident	54 Å²	54	54.7 Å²	54.7	38%	0.378	30%	0.301	S	S	.	.			trans	-95.7	83.9	175.4	-155.4	0	0	0	0	110	N551 D555 A556 E557	N551-S553 PolarHBondContact O-N 3Å; N551-S553 VanDerWaalsContact O-N 3.1Å; N551-S553 PolarHBondContact OD1-N 3.24Å; S553-D555 PolarHBondContact O-N 2.98Å; S553-D555 PolarHBondContact OG-OD1 3.1Å; S553-A556 PolarHBondContact O-N 3.22Å; S553-E557 PolarHBondContact O-N 3.26Å
554	W	89.9	Confident	87.9	Confident	20 Å²	20	55.5 Å²	55.5	8%	0.076	31%	0.305	C	S	.	.	H	α-helix	trans	-58.2	-36.2	-177.4	77.9	-93.1	0	0	0	112.9	T523 E527 L530 Y544 V547 V548 P552 E557 V558 I559	T523-W554 HydrophobicContact CG2-CH2 3.68Å; T523-W554 HydrophobicContact CG2-CZ2 3.91Å; T523-W554 WeakPolarHBondContact O-CH2 3.48Å; E527-W554 HydrophobicContact CB-CH2 3.67Å; E527-W554 HydrophobicContact CB-CZ2 3.44Å; E527-W554 VanDerWaalsContact CB-CZ2 3.44Å; E527-W554 HydrophobicContact CB-CZ3 4.46Å; E527-W554 VanDerWaalsContact CD-NE1 3.34Å; E527-W554 HydrophobicContact CG-CD2 4.29Å; E527-W554 HydrophobicContact CG-CH2 4.12Å; E527-W554 HydrophobicContact CG-CZ2 3.51Å; E527-W554 WeakPolarHBondContact OE2-CZ2 3.48Å; E527-W554 PolarHBondContact OE2-NE1 3.39Å; L530-W554 HydrophobicContact CD1-CE3 4.34Å; L530-W554 HydrophobicContact CD1-CZ3 4.17Å; Y544-W554 HydrophobicContact CD2-CG 4.41Å; Y544-W554 HydrophobicContact CE2-CB 4.14Å; Y544-W554 AromaticContact CE2-CD1 3.7Å; Y544-W554 HydrophobicContact CE2-CD2 4.1Å; Y544-W554 AromaticContact CE2-CG 3.69Å; Y544-W554 HydrophobicContact CE2-CG 3.69Å; V547-W554 HydrophobicContact CG1-CB 3.81Å; V548-W554 HydrophobicContact CG2-CB 3.92Å; P552-W554 PolarHBondContact O-N 3.26Å; W554-E557 PolarHBondContact O-N 3.24Å; W554-V558 HydrophobicContact CE3-CB 4.14Å; W554-V558 HydrophobicContact CE3-CG2 4.34Å; W554-V558 HydrophobicContact CZ3-CB 4.32Å; W554-V558 HydrophobicContact CZ3-CG1 4.46Å; W554-V558 WeakPolarHBondContact O-CB 3.25Å; W554-V558 WeakPolarHBondContact O-CG2 3.39Å; W554-V558 PolarHBondContact O-N 3.34Å; W554-I559 HydrophobicContact CH2-CD1 4.08Å; W554-I559 HydrophobicContact CH2-CG1 4.08Å; W554-I559 HydrophobicContact CZ3-CD1 3.86Å; W554-I559 HydrophobicContact CZ3-CG1 3.87Å
555	D	88.9	Confident	87.6	Confident	44 Å²	44	57 Å²	57	24%	0.235	32%	0.316	C	S	.	.	H	α-helix	trans	-67.3	-40.6	-177	65.5	-37.7	0	0	0	111.4	S553 E557 I559	S553-D555 PolarHBondContact O-N 2.98Å; S553-D555 PolarHBondContact OG-OD1 3.1Å; D555-E557 PolarHBondContact O-N 3.1Å; D555-I559 HydrophobicContact CB-CG1 4.29Å; D555-I559 WeakPolarHBondContact O-CA 3.14Å; D555-I559 VanDerWaalsContact O-CB 3.24Å; D555-I559 WeakPolarHBondContact O-CB 3.33Å; D555-I559 PolarHBondContact O-N 2.75Å
556	A	87.6	Confident	87.6	Confident	56 Å²	56	52.7 Å²	52.7	46%	0.463	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-28.3	174.8	0	0	0	0	0	112.3	S553 R560	S553-A556 PolarHBondContact O-N 3.22Å; A556-R560 PolarHBondContact O-NH1 2.92Å; A556-R560 PolarHBondContact O-NH2 3.26Å
557	E	88.3	Confident	87.9	Confident	34 Å²	34	51.6 Å²	51.6	16%	0.159	29%	0.292	C	S	.	.	H	α-helix	trans	-83.1	-43.5	177.9	-167.7	61.3	-154.1	0	0	112.3	K513 V547 S553 W554 D555 R560	K513-E557 VanDerWaalsContact CD-OE1 3.22Å; K513-E557 WeakPolarHBondContact CD-OE1 3.34Å; K513-E557 WeakPolarHBondContact CE-OE1 3.09Å; K513-E557 IonicContact NZ-OE1 3.24Å; K513-E557 PolarHBondContact NZ-OE1 3.05Å; V547-E557 HydrophobicContact CG1-CB 3.91Å; V547-E557 HydrophobicContact CG1-CG 4.17Å; S553-E557 PolarHBondContact O-N 3.26Å; W554-E557 PolarHBondContact O-N 3.24Å; D555-E557 PolarHBondContact O-N 3.1Å; E557-R560 PolarHBondContact O-NH1 3.47Å; E557-R560 PolarHBondContact O-NH2 3.41Å
558	V	92.8	Very high	88.3	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-94.3	-42.4	-169.8	175.3	0	0	0	0	113	F514 R515 A516 L530 V547 W554	F514-V558 HydrophobicContact CD1-CG1 3.62Å; F514-V558 HydrophobicContact CE1-CG1 3.78Å; R515-V558 WeakPolarHBondContact CA-O 3.11Å; A516-V558 HydrophobicContact CB-CG1 4.14Å; A516-V558 PolarHBondContact N-O 3.45Å; L530-V558 HydrophobicContact CD1-CG1 4.17Å; V547-V558 HydrophobicContact CB-CG2 4.36Å; V547-V558 HydrophobicContact CG1-CG2 3.87Å; V547-V558 HydrophobicContact CG2-CG2 3.7Å; W554-V558 HydrophobicContact CE3-CB 4.14Å; W554-V558 HydrophobicContact CE3-CG2 4.34Å; W554-V558 HydrophobicContact CZ3-CB 4.32Å; W554-V558 HydrophobicContact CZ3-CG1 4.46Å; W554-V558 WeakPolarHBondContact O-CB 3.25Å; W554-V558 WeakPolarHBondContact O-CG2 3.39Å; W554-V558 PolarHBondContact O-N 3.34Å
559	I	94.6	Very high	88.7	Confident	34 Å²	34	48.9 Å²	48.9	17%	0.174	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	129	-170.6	-55.1	-62.9	0	0	0	109.8	A516 T518 T523 I526 W554 D555	A516-I559 HydrophobicContact CB-CD1 4.24Å; A516-I559 WeakPolarHBondContact O-CA 3.12Å; T518-I559 HydrophobicContact CG2-CD1 4.16Å; T518-I559 HydrophobicContact CG2-CG2 4.08Å; T523-I559 HydrophobicContact CG2-CD1 4.31Å; T523-I559 HydrophobicContact CG2-CG1 4.12Å; I526-I559 HydrophobicContact CD1-CD1 4.43Å; I526-I559 HydrophobicContact CG2-CD1 4.46Å; W554-I559 HydrophobicContact CH2-CD1 4.08Å; W554-I559 HydrophobicContact CH2-CG1 4.08Å; W554-I559 HydrophobicContact CZ3-CD1 3.86Å; W554-I559 HydrophobicContact CZ3-CG1 3.87Å; D555-I559 HydrophobicContact CB-CG1 4.29Å; D555-I559 WeakPolarHBondContact O-CA 3.14Å; D555-I559 VanDerWaalsContact O-CB 3.24Å; D555-I559 WeakPolarHBondContact O-CB 3.33Å; D555-I559 PolarHBondContact O-N 2.75Å
560	R	93.8	Very high	89.4	Confident	72 Å²	72	40.4 Å²	40.4	27%	0.272	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.9	177	-64.8	-66.5	179.2	-86.8	0	110.2	A516 K517 T518 A556 E557	A516-R560 PolarHBondContact O-N 3.48Å; K517-R560 CarbonylContact C-O 3.57Å; K517-R560 VanDerWaalsContact CA-O 3.23Å; K517-R560 WeakPolarHBondContact CA-O 3.48Å; K517-R560 HydrophobicContact CG-CB 4.08Å; T518-R560 PolarHBondContact N-O 2.82Å; A556-R560 PolarHBondContact O-NH1 2.92Å; A556-R560 PolarHBondContact O-NH2 3.26Å; E557-R560 PolarHBondContact O-NH1 3.47Å; E557-R560 PolarHBondContact O-NH2 3.41Å
561	P	92.5	Very high	90.3	Very high	99 Å²	99	35.4 Å²	35.4	64%	0.643	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-65.5	150.8	169	28.8	-34	0	0	0	110.5
562	L	93.4	Very high	91.2	Very high	9 Å²	9	33.1 Å²	33.1	5%	0.047	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-67.2	128.9	172.7	-66.3	160.7	0	0	0	110	K517 A568 Y569 A579 E581 M731	K517-L562 HydrophobicContact CB-CD2 3.93Å; K517-L562 WeakPolarHBondContact O-CD2 3.18Å; L562-A568 HydrophobicContact CD1-CB 4.4Å; L562-A568 HydrophobicContact CD2-CB 3.6Å; L562-Y569 HydrophobicContact CB-CD2 4.12Å; L562-Y569 WeakPolarHBondContact O-CD2 3.23Å; L562-A579 HydrophobicContact CD1-CB 4.13Å; L562-E581 HydrophobicContact CD2-CB 4.44Å; L562-M731 HydrophobicContact CB-CE 3.44Å; L562-M731 VanDerWaalsContact CB-CE 3.44Å; L562-M731 HydrophobicContact CD1-CE 3.78Å; L562-M731 HydrophobicContact CG-CE 3.87Å
563	P	90.7	Very high	91.8	Very high	40 Å²	40	27.4 Å²	27.4	26%	0.26	16%	0.158	S	C	.	.	P	Polyproline II helix	trans	-81.9	149.6	176.9	37.8	-37.8	0	0	0	110.2	K517 D565 S566 Y569	K517-P563 HydrophobicContact CD-CG 4.14Å; P563-D565 WeakPolarHBondContact CB-OD1 3.46Å; P563-D565 WeakPolarHBondContact CG-OD1 3.47Å; P563-D565 PolarHBondContact O-N 3.24Å; P563-D565 VanDerWaalsContact O-N 3.15Å; P563-S566 VanDerWaalsContact O-CB 3.3Å; P563-S566 WeakPolarHBondContact O-CB 3.34Å; P563-S566 PolarHBondContact O-N 3.46Å; P563-Y569 WeakPolarHBondContact O-CB 3.4Å
564	M	87.4	Confident	92.1	Very high	18 Å²	18	25 Å²	25	9%	0.089	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.2	-170.8	-171.7	-171.3	80	0	0	114.1	A278 Q279 L322 S566 Y569 F726 R733	A278-M564 HydrophobicContact CB-CE 4.28Å; Q279-M564 HydrophobicContact CG-CE 4.43Å; L322-M564 HydrophobicContact CD1-CE 4.05Å; L322-M564 HydrophobicContact CD1-SD 4.42Å; M564-S566 VanDerWaalsContact C-N 3.3Å; M564-Y569 HydrophobicContact CB-CD1 4.34Å; M564-Y569 HydrophobicContact CB-CE1 4.16Å; M564-Y569 HydrophobicContact CG-CD1 4.16Å; M564-Y569 HydrophobicContact CG-CE1 3.73Å; M564-F726 HydrophobicContact CG-CE2 4.25Å; M564-F726 HydrophobicContact CG-CZ 4.46Å; M564-F726 HydrophobicContact SD-CE2 4.38Å; M564-R733 PolarHBondContact SD-NH1 3.33Å
565	D	86.6	Confident	92.2	Very high	80 Å²	80	24 Å²	24	43%	0.428	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.2	178.6	58.9	-23.4	0	0	0	113.8	P563	P563-D565 WeakPolarHBondContact CB-OD1 3.46Å; P563-D565 WeakPolarHBondContact CG-OD1 3.47Å; P563-D565 PolarHBondContact O-N 3.24Å; P563-D565 VanDerWaalsContact O-N 3.15Å
566	S	90.9	Very high	92.5	Very high	5 Å²	5	21.9 Å²	21.9	4%	0.035	13%	0.125	C	C	.	.	S	Bend	trans	-85.5	139.3	175.6	175.7	0	0	0	0	112.1	P563 M564 A568 Y569 E581	P563-S566 VanDerWaalsContact O-CB 3.3Å; P563-S566 WeakPolarHBondContact O-CB 3.34Å; P563-S566 PolarHBondContact O-N 3.46Å; M564-S566 VanDerWaalsContact C-N 3.3Å; S566-A568 PolarHBondContact O-N 3.18Å; S566-A568 PolarHBondContact OG-N 3.15Å; S566-A568 VanDerWaalsContact OG-N 3.13Å; S566-Y569 VanDerWaalsContact O-CB 3.29Å; S566-Y569 WeakPolarHBondContact O-CB 3.42Å; S566-Y569 PolarHBondContact O-N 3.41Å; S566-E581 WeakPolarHBondContact CB-OE2 3.48Å; S566-E581 PolarHBondContact OG-OE2 3.04Å
567	S	93.1	Very high	92.9	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-57.8	-35.1	170.1	64	0	0	0	0	111.9	S480 Y501 S503 D505 Y569 S570 F571	S480-S567 WeakPolarHBondContact OG-CA 3.38Å; S480-S567 PolarHBondContact OG-N 2.85Å; Y501-S567 PolarHBondContact OH-OG 3.28Å; Y501-S567 VanDerWaalsContact OH-OG 3.05Å; S503-S567 PolarHBondContact OG-OG 3.1Å; D505-S567 PolarHBondContact OD2-OG 3.12Å; S567-Y569 VanDerWaalsContact C-N 3.27Å; S567-Y569 PolarHBondContact O-N 3.5Å; S567-S570 PolarHBondContact O-N 2.9Å; S567-S570 VanDerWaalsContact O-N 3.16Å; S567-F571 WeakPolarHBondContact O-CD2 3.39Å; S567-F571 PolarHBondContact O-N 2.95Å
568	A	96.4	Very high	93.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.7	-29.8	177.8	0	0	0	0	0	112.7	Y501 L562 S566 S570 F571 T572 A579 E581	Y501-A568 HydrophobicContact CD1-CB 3.95Å; Y501-A568 HydrophobicContact CE1-CB 3.93Å; L562-A568 HydrophobicContact CD1-CB 4.4Å; L562-A568 HydrophobicContact CD2-CB 3.6Å; S566-A568 PolarHBondContact O-N 3.18Å; S566-A568 PolarHBondContact OG-N 3.15Å; S566-A568 VanDerWaalsContact OG-N 3.13Å; A568-S570 VanDerWaalsContact C-N 3.32Å; A568-S570 PolarHBondContact O-N 3.31Å; A568-F571 PolarHBondContact O-N 2.92Å; A568-T572 PolarHBondContact O-N 3.28Å; A568-A579 HydrophobicContact CB-CB 3.79Å; A568-A579 VanDerWaalsContact O-CB 3.31Å; A568-A579 WeakPolarHBondContact O-CB 3.15Å; A568-E581 HydrophobicContact CB-CB 4.4Å
569	Y	95.6	Very high	93.6	Very high	8 Å²	8	17.8 Å²	17.8	3%	0.031	10%	0.097	C	C	.	.	H	α-helix	trans	-61.5	-41.7	173.2	177.7	-94.3	0	0	0	111.5	L562 P563 M564 S566 S567 F571 T572 A573 F726 M731	L562-Y569 HydrophobicContact CB-CD2 4.12Å; L562-Y569 WeakPolarHBondContact O-CD2 3.23Å; P563-Y569 WeakPolarHBondContact O-CB 3.4Å; M564-Y569 HydrophobicContact CB-CD1 4.34Å; M564-Y569 HydrophobicContact CB-CE1 4.16Å; M564-Y569 HydrophobicContact CG-CD1 4.16Å; M564-Y569 HydrophobicContact CG-CE1 3.73Å; S566-Y569 VanDerWaalsContact O-CB 3.29Å; S566-Y569 WeakPolarHBondContact O-CB 3.42Å; S566-Y569 PolarHBondContact O-N 3.41Å; S567-Y569 VanDerWaalsContact C-N 3.27Å; S567-Y569 PolarHBondContact O-N 3.5Å; Y569-F571 PolarHBondContact O-N 3.22Å; Y569-T572 PolarHBondContact O-N 2.67Å; Y569-A573 HydrophobicContact CD1-CB 3.99Å; Y569-A573 HydrophobicContact CD2-CB 4.19Å; Y569-A573 HydrophobicContact CE1-CB 3.64Å; Y569-A573 HydrophobicContact CE2-CB 3.85Å; Y569-A573 HydrophobicContact CG-CB 4.25Å; Y569-A573 VanDerWaalsContact O-CB 3.22Å; Y569-A573 WeakPolarHBondContact O-CB 3.38Å; Y569-A573 PolarHBondContact O-N 3.25Å; Y569-F726 HydrophobicContact CD1-CD1 4.24Å; Y569-F726 AromaticContact CD1-CE1 3.98Å; Y569-F726 HydrophobicContact CD1-CE1 3.98Å; Y569-F726 HydrophobicContact CD1-CZ 4.41Å; Y569-F726 HydrophobicContact CE1-CB 4.49Å; Y569-F726 AromaticContact CE1-CD1 3.51Å; Y569-F726 HydrophobicContact CE1-CD1 3.51Å; Y569-F726 HydrophobicContact CE1-CD2 4.12Å; Y569-F726 AromaticContact CE1-CE1 3.56Å; Y569-F726 HydrophobicContact CE1-CE1 3.56Å; Y569-F726 HydrophobicContact CE1-CE2 4.16Å; Y569-F726 AromaticContact CE1-CG 3.8Å; Y569-F726 HydrophobicContact CE1-CG 3.8Å; Y569-F726 AromaticContact CE1-CZ 3.89Å; Y569-F726 HydrophobicContact CE1-CZ 3.89Å; Y569-M731 HydrophobicContact CD2-CE 4.43Å; Y569-M731 HydrophobicContact CE2-CB 4.26Å; Y569-M731 WeakPolarHBondContact CE2-O 3.44Å; Y569-M731 VanDerWaalsContact CZ-O 3.29Å; Y569-M731 PolarHBondContact OH-O 3.31Å
570	S	93.9	Very high	93.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.8	-43.2	178.7	-56.6	0	0	0	0	111.5	T324 S567 A568 T572 F574	T324-S570 WeakPolarHBondContact CB-OG 3.18Å; T324-S570 WeakPolarHBondContact CG2-OG 3.29Å; T324-S570 PolarHBondContact OG1-OG 2.86Å; S567-S570 PolarHBondContact O-N 2.9Å; S567-S570 VanDerWaalsContact O-N 3.16Å; A568-S570 VanDerWaalsContact C-N 3.32Å; A568-S570 PolarHBondContact O-N 3.31Å; S570-T572 VanDerWaalsContact C-N 3.32Å; S570-T572 PolarHBondContact O-N 2.95Å; S570-F574 WeakPolarHBondContact O-CA 3.36Å; S570-F574 WeakPolarHBondContact O-CB 3.37Å; S570-F574 PolarHBondContact O-N 2.98Å
571	F	95.9	Very high	94	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-55.9	-44.3	175.4	-84.1	-101.7	0	0	0	112.9	W473 W486 L487 L494 Y501 S567 A568 Y569 V575 G576 V577 A579	W473-F571 HydrophobicContact CZ2-CE2 4.23Å; W473-F571 AromaticContact CZ2-CZ 3.91Å; W473-F571 HydrophobicContact CZ2-CZ 3.91Å; W486-F571 HydrophobicContact CE3-CZ 4.17Å; W486-F571 AromaticContact CZ3-CE1 3.78Å; W486-F571 HydrophobicContact CZ3-CE1 3.78Å; W486-F571 AromaticContact CZ3-CZ 3.77Å; W486-F571 HydrophobicContact CZ3-CZ 3.77Å; L487-F571 HydrophobicContact CD1-CD2 3.89Å; L487-F571 HydrophobicContact CD1-CE2 4.07Å; L487-F571 HydrophobicContact CD1-CG 4.26Å; L487-F571 HydrophobicContact CD2-CD1 3.77Å; L487-F571 HydrophobicContact CD2-CD2 4.19Å; L487-F571 HydrophobicContact CD2-CE1 3.6Å; L487-F571 HydrophobicContact CD2-CE2 4.01Å; L487-F571 HydrophobicContact CD2-CG 4.08Å; L487-F571 HydrophobicContact CD2-CZ 3.71Å; L487-F571 HydrophobicContact CG-CD2 4.48Å; L487-F571 HydrophobicContact CG-CE2 4.25Å; L487-F571 HydrophobicContact CG-CZ 4.34Å; L494-F571 HydrophobicContact CD2-CE1 4.36Å; Y501-F571 VanDerWaalsContact CB-CD1 3.4Å; Y501-F571 HydrophobicContact CD1-CB 4Å; Y501-F571 HydrophobicContact CD1-CD1 4.12Å; Y501-F571 AromaticContact CD1-CD2 3.39Å; Y501-F571 HydrophobicContact CD1-CD2 3.39Å; Y501-F571 HydrophobicContact CD1-CE1 4.45Å; Y501-F571 AromaticContact CD1-CE2 3.82Å; Y501-F571 HydrophobicContact CD1-CE2 3.82Å; Y501-F571 AromaticContact CD1-CG 3.56Å; Y501-F571 HydrophobicContact CD1-CG 3.56Å; Y501-F571 HydrophobicContact CD1-CZ 4.33Å; Y501-F571 HydrophobicContact CD2-CD1 4.02Å; Y501-F571 HydrophobicContact CD2-CD2 4.09Å; Y501-F571 AromaticContact CD2-CE1 3.63Å; Y501-F571 HydrophobicContact CD2-CE1 3.63Å; Y501-F571 AromaticContact CD2-CE2 3.74Å; Y501-F571 HydrophobicContact CD2-CE2 3.74Å; Y501-F571 HydrophobicContact CD2-CG 4.23Å; Y501-F571 AromaticContact CD2-CZ 3.49Å; Y501-F571 HydrophobicContact CD2-CZ 3.49Å; Y501-F571 VanDerWaalsContact CD2-CZ 3.49Å; Y501-F571 AromaticContact CE1-CD2 3.58Å; Y501-F571 HydrophobicContact CE1-CD2 3.58Å; Y501-F571 AromaticContact CE1-CE2 3.73Å; Y501-F571 HydrophobicContact CE1-CE2 3.73Å; Y501-F571 HydrophobicContact CE1-CG 4.24Å; Y501-F571 HydrophobicContact CE1-CZ 4.47Å; Y501-F571 HydrophobicContact CE2-CD2 4.26Å; Y501-F571 HydrophobicContact CE2-CE1 4.3Å; Y501-F571 AromaticContact CE2-CE2 3.66Å; Y501-F571 HydrophobicContact CE2-CE2 3.66Å; Y501-F571 AromaticContact CE2-CZ 3.68Å; Y501-F571 HydrophobicContact CE2-CZ 3.68Å; Y501-F571 HydrophobicContact CG-CB 4.23Å; Y501-F571 AromaticContact CG-CD1 3.59Å; Y501-F571 HydrophobicContact CG-CD1 3.59Å; Y501-F571 AromaticContact CG-CD2 3.66Å; Y501-F571 HydrophobicContact CG-CD2 3.66Å; Y501-F571 AromaticContact CG-CE1 3.71Å; Y501-F571 HydrophobicContact CG-CE1 3.71Å; Y501-F571 AromaticContact CG-CE2 3.81Å; Y501-F571 HydrophobicContact CG-CE2 3.81Å; Y501-F571 AromaticContact CG-CG 3.54Å; Y501-F571 HydrophobicContact CG-CG 3.54Å; Y501-F571 AromaticContact CG-CZ 3.84Å; Y501-F571 HydrophobicContact CG-CZ 3.84Å; Y501-F571 AromaticContact CZ-CE2 3.65Å; S567-F571 WeakPolarHBondContact O-CD2 3.39Å; S567-F571 PolarHBondContact O-N 2.95Å; A568-F571 PolarHBondContact O-N 2.92Å; Y569-F571 PolarHBondContact O-N 3.22Å; F571-V575 CarbonylContact O-C 3.25Å; F571-G576 PolarHBondContact O-N 2.98Å; F571-V577 CarbonylContact C-O 3.57Å; F571-V577 HydrophobicContact CB-CB 4.45Å; F571-V577 HydrophobicContact CD1-CB 4.35Å; F571-V577 HydrophobicContact CD1-CG1 4.37Å; F571-V577 PolarHBondContact O-N 3.03Å; F571-A579 HydrophobicContact CB-CB 4.09Å
572	T	95.8	Very high	94.1	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-80	-52.7	-179.4	-62.1	0	0	0	0	112.8	A568 Y569 S570 G576 V577 A579 E711 M731	A568-T572 PolarHBondContact O-N 3.28Å; Y569-T572 PolarHBondContact O-N 2.67Å; S570-T572 VanDerWaalsContact C-N 3.32Å; S570-T572 PolarHBondContact O-N 2.95Å; T572-G576 VanDerWaalsContact O-CA 3.31Å; T572-G576 WeakPolarHBondContact O-CA 3.36Å; T572-G576 PolarHBondContact O-N 2.99Å; T572-G576 VanDerWaalsContact O-N 3.15Å; T572-V577 WeakPolarHBondContact CA-O 3.42Å; T572-V577 PolarHBondContact N-O 2.78Å; T572-V577 PolarHBondContact OG1-O 3.46Å; T572-A579 WeakPolarHBondContact OG1-CB 3.45Å; T572-A579 PolarHBondContact OG1-N 2.82Å; T572-E711 HydrophobicContact CG2-CG 4.3Å; T572-E711 VanDerWaalsContact CG2-OE1 3.23Å; T572-E711 WeakPolarHBondContact CG2-OE1 3.41Å; T572-M731 HydrophobicContact CG2-CE 4.49Å; T572-M731 HydrophobicContact CG2-SD 3.82Å
573	A	94.7	Very high	94.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	I	π-helix	trans	-77.3	-28.8	-170.3	0	0	0	0	0	114	Y569 L715 F726 R727 H728	Y569-A573 HydrophobicContact CD1-CB 3.99Å; Y569-A573 HydrophobicContact CD2-CB 4.19Å; Y569-A573 HydrophobicContact CE1-CB 3.64Å; Y569-A573 HydrophobicContact CE2-CB 3.85Å; Y569-A573 HydrophobicContact CG-CB 4.25Å; Y569-A573 VanDerWaalsContact O-CB 3.22Å; Y569-A573 WeakPolarHBondContact O-CB 3.38Å; Y569-A573 PolarHBondContact O-N 3.25Å; A573-L715 WeakPolarHBondContact O-CD2 3.48Å; A573-F726 HydrophobicContact CB-CB 4.25Å; A573-F726 HydrophobicContact CB-CD1 3.97Å; A573-F726 HydrophobicContact CB-CG 4.47Å; A573-F726 CarbonylContact O-C 3.58Å; A573-F726 WeakPolarHBondContact O-CA 3.35Å; A573-R727 PolarHBondContact O-N 3.23Å; A573-H728 HydrophobicContact CB-CB 4.42Å; A573-H728 PolarHBondContact O-N 3.46Å
574	F	91.6	Very high	94.3	Very high	2 Å²	2	5.9 Å²	5.9	1%	0.009	3%	0.031	C	C	.	.	I	π-helix	trans	-95.5	-48.5	-178.6	-176.3	-125.1	0	0	0	112.2	L487 E488 L491 S570 P721 P725 F726 R727	L487-F574 HydrophobicContact CB-CD1 4.25Å; L487-F574 HydrophobicContact CB-CE1 4.41Å; E488-F574 HydrophobicContact CG-CE1 3.64Å; E488-F574 HydrophobicContact CG-CZ 3.81Å; L491-F574 HydrophobicContact CD1-CD1 3.97Å; L491-F574 HydrophobicContact CD1-CD2 4.45Å; L491-F574 HydrophobicContact CD1-CE1 3.65Å; L491-F574 HydrophobicContact CD1-CE2 4.17Å; L491-F574 HydrophobicContact CD1-CG 4.34Å; L491-F574 HydrophobicContact CD1-CZ 3.75Å; L491-F574 HydrophobicContact CD2-CE2 4.44Å; L491-F574 HydrophobicContact CD2-CZ 3.98Å; L491-F574 HydrophobicContact CG-CZ 4.47Å; S570-F574 WeakPolarHBondContact O-CA 3.36Å; S570-F574 WeakPolarHBondContact O-CB 3.37Å; S570-F574 PolarHBondContact O-N 2.98Å; F574-P721 HydrophobicContact CE2-CB 4.29Å; F574-P725 HydrophobicContact CD2-CB 3.61Å; F574-P725 VanDerWaalsContact CD2-O 3.3Å; F574-P725 WeakPolarHBondContact CD2-O 3.37Å; F574-P725 HydrophobicContact CE2-CB 3.66Å; F574-F726 HydrophobicContact CB-CD1 4.48Å; F574-R727 PolarHBondContact O-NH2 3.19Å
575	V	92.5	Very high	94.5	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-107.7	-17.4	-171.2	-166.9	0	0	0	0	114	L487 L491 L494 F571 V577 F712	L487-V575 HydrophobicContact CB-CG2 3.82Å; L487-V575 HydrophobicContact CD1-CG2 4.09Å; L487-V575 HydrophobicContact CD2-CG2 3.89Å; L487-V575 HydrophobicContact CG-CG2 4.13Å; L491-V575 HydrophobicContact CD1-CG2 3.87Å; L494-V575 HydrophobicContact CB-CG1 3.79Å; L494-V575 HydrophobicContact CD2-CG1 3.97Å; L494-V575 HydrophobicContact CG-CG1 4.38Å; F571-V575 CarbonylContact O-C 3.25Å; V575-V577 HydrophobicContact CG1-CG2 4.39Å; V575-F712 WeakPolarHBondContact O-CD2 3.3Å
576	G	94.8	Very high	94.5	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.017	C	C	.	.			trans	77.8	37.5	175.9	0	0	0	0	0	112.9	F571 T572 E711 F712	F571-G576 PolarHBondContact O-N 2.98Å; T572-G576 VanDerWaalsContact O-CA 3.31Å; T572-G576 WeakPolarHBondContact O-CA 3.36Å; T572-G576 PolarHBondContact O-N 2.99Å; T572-G576 VanDerWaalsContact O-N 3.15Å; G576-E711 CarbonylContact O-C 3.51Å; G576-E711 WeakPolarHBondContact O-CB 3.36Å; G576-F712 PolarHBondContact O-N 2.71Å; G576-F712 VanDerWaalsContact O-N 3.16Å
577	V	96.8	Very high	93.4	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.006	3%	0.032	C	C	.	.			trans	-103.8	130.3	170.5	176.8	0	0	0	0	108.3	L494 A498 F571 T572 V575 A579	L494-V577 HydrophobicContact CD2-CG2 4.4Å; L494-V577 HydrophobicContact CG-CG2 4.37Å; A498-V577 HydrophobicContact CB-CG1 4Å; A498-V577 HydrophobicContact CB-CG2 4.01Å; F571-V577 CarbonylContact C-O 3.57Å; F571-V577 HydrophobicContact CB-CB 4.45Å; F571-V577 HydrophobicContact CD1-CB 4.35Å; F571-V577 HydrophobicContact CD1-CG1 4.37Å; F571-V577 PolarHBondContact O-N 3.03Å; T572-V577 WeakPolarHBondContact CA-O 3.42Å; T572-V577 PolarHBondContact N-O 2.78Å; T572-V577 PolarHBondContact OG1-O 3.46Å; V575-V577 HydrophobicContact CG1-CG2 4.39Å; V577-A579 PolarHBondContact O-N 2.98Å
578	P	97.3	Very high	92	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.013	7%	0.069	C	C	.	.			trans	-65.1	130.8	178.8	24.6	-31.4	0	0	0	109.9	V499 V500 Y501 L521 L522 L638 E711	V499-P578 WeakPolarHBondContact O-CD 3.29Å; V499-P578 WeakPolarHBondContact O-CG 3.48Å; V500-P578 CarbonylContact C-O 3.54Å; V500-P578 VanDerWaalsContact CA-O 3.26Å; V500-P578 WeakPolarHBondContact CA-O 3.42Å; V500-P578 HydrophobicContact CG2-CG 3.95Å; Y501-P578 PolarHBondContact N-O 3.42Å; L521-P578 HydrophobicContact CB-CB 4.39Å; L521-P578 HydrophobicContact CD1-CB 4.12Å; L521-P578 HydrophobicContact CD1-CG 4.32Å; L522-P578 HydrophobicContact CD1-CB 4.48Å; P578-L638 HydrophobicContact CG-CD1 4.29Å; P578-E711 HydrophobicContact CB-CG 4.32Å
579	A	97.9	Very high	90.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	158.3	-175.2	0	0	0	0	0	113.5	Y501 T518 S519 L562 A568 F571 T572 V577	Y501-A579 HydrophobicContact CD1-CB 4.03Å; Y501-A579 CarbonylContact O-C 3.27Å; Y501-A579 WeakPolarHBondContact O-CA 3.42Å; T518-A579 VanDerWaalsContact CA-O 3.28Å; T518-A579 WeakPolarHBondContact CA-O 3.31Å; T518-A579 PolarHBondContact OG1-O 3.21Å; S519-A579 PolarHBondContact N-O 3.05Å; S519-A579 VanDerWaalsContact N-O 3.08Å; L562-A579 HydrophobicContact CD1-CB 4.13Å; A568-A579 HydrophobicContact CB-CB 3.79Å; A568-A579 VanDerWaalsContact O-CB 3.31Å; A568-A579 WeakPolarHBondContact O-CB 3.15Å; F571-A579 HydrophobicContact CB-CB 4.09Å; T572-A579 WeakPolarHBondContact OG1-CB 3.45Å; T572-A579 PolarHBondContact OG1-N 2.82Å; V577-A579 PolarHBondContact O-N 2.98Å
580	V	98	Very high	90.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.6	173.9	59.3	0	0	0	0	111.4	Y501 V502 S503 A516 K517 T518 L522 I526 F582	Y501-V580 PolarHBondContact O-N 3.33Å; V502-V580 HydrophobicContact CB-CG1 4.35Å; V502-V580 HydrophobicContact CG1-CG1 4.2Å; V502-V580 HydrophobicContact CG2-CG1 4.06Å; S503-V580 PolarHBondContact N-O 3.36Å; A516-V580 HydrophobicContact CB-CG2 4.37Å; K517-V580 CarbonylContact O-C 3.59Å; K517-V580 WeakPolarHBondContact O-CA 3.3Å; T518-V580 WeakPolarHBondContact OG1-CB 3.29Å; L522-V580 HydrophobicContact CD1-CB 3.92Å; L522-V580 HydrophobicContact CD1-CG1 4.06Å; I526-V580 HydrophobicContact CD1-CG2 4.05Å; V580-F582 HydrophobicContact CG1-CE1 4.49Å; V580-F582 HydrophobicContact CG1-CE2 4.24Å; V580-F582 HydrophobicContact CG1-CZ 4.02Å; V580-F582 HydrophobicContact CG2-CD1 3.7Å; V580-F582 HydrophobicContact CG2-CE1 3.33Å; V580-F582 HydrophobicContact CG2-CE2 4.36Å; V580-F582 HydrophobicContact CG2-CG 4.39Å; V580-F582 HydrophobicContact CG2-CZ 3.71Å
581	E	97.5	Very high	90.2	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.1	165.3	-179.2	-172.1	114.4	0	0	108.4	K517 L562 S566 A568	K517-E581 HydrophobicContact CB-CB 4.36Å; K517-E581 HydrophobicContact CD-CB 4.45Å; K517-E581 HydrophobicContact CD-CG 4.49Å; K517-E581 WeakPolarHBondContact CD-OE1 3.46Å; K517-E581 PolarHBondContact N-O 3.22Å; K517-E581 IonicContact NZ-OE1 3.54Å; K517-E581 PolarHBondContact NZ-OE1 3.42Å; K517-E581 PolarHBondContact O-N 3.37Å; L562-E581 HydrophobicContact CD2-CB 4.44Å; S566-E581 WeakPolarHBondContact CB-OE2 3.48Å; S566-E581 PolarHBondContact OG-OE2 3.04Å; A568-E581 HydrophobicContact CB-CB 4.4Å
582	F	94.5	Very high	90	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.009	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	139.2	177.7	-62.8	-51.1	0	0	0	110.8	V502 A507 F514 A516 I526 V580 V619 A623 L626	V502-F582 HydrophobicContact CG1-CD2 4.41Å; V502-F582 HydrophobicContact CG1-CE2 4.12Å; A507-F582 WeakPolarHBondContact CA-O 3.48Å; F514-F582 HydrophobicContact CE1-CD1 4.43Å; F514-F582 HydrophobicContact CE2-CB 4.06Å; F514-F582 HydrophobicContact CE2-CD1 4.05Å; F514-F582 HydrophobicContact CE2-CG 4.31Å; F514-F582 HydrophobicContact CZ-CB 4.32Å; F514-F582 AromaticContact CZ-CD1 3.44Å; F514-F582 HydrophobicContact CZ-CD1 3.44Å; F514-F582 VanDerWaalsContact CZ-CD1 3.44Å; F514-F582 AromaticContact CZ-CE1 3.97Å; F514-F582 HydrophobicContact CZ-CE1 3.97Å; F514-F582 HydrophobicContact CZ-CG 4.11Å; A516-F582 HydrophobicContact CB-CD1 3.94Å; A516-F582 HydrophobicContact CB-CE1 4.01Å; I526-F582 HydrophobicContact CD1-CE1 4.37Å; I526-F582 HydrophobicContact CG1-CE1 4.24Å; I526-F582 HydrophobicContact CG1-CZ 4.49Å; V580-F582 HydrophobicContact CG1-CE1 4.49Å; V580-F582 HydrophobicContact CG1-CE2 4.24Å; V580-F582 HydrophobicContact CG1-CZ 4.02Å; V580-F582 HydrophobicContact CG2-CD1 3.7Å; V580-F582 HydrophobicContact CG2-CE1 3.33Å; V580-F582 HydrophobicContact CG2-CE2 4.36Å; V580-F582 HydrophobicContact CG2-CG 4.39Å; V580-F582 HydrophobicContact CG2-CZ 3.71Å; F582-V619 HydrophobicContact CB-CG1 4.32Å; F582-A623 HydrophobicContact CD2-CB 4.48Å; F582-A623 HydrophobicContact CE2-CB 4.44Å; F582-L626 HydrophobicContact CZ-CD1 3.94Å
583	S	94.4	Very high	89.9	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	128.7	176.7	-167.8	0	0	0	0	111.3	N506 A507 R515	N506-S583 WeakPolarHBondContact O-CB 3.49Å; N506-S583 PolarHBondContact O-OG 2.97Å; A507-S583 WeakPolarHBondContact O-CA 3.45Å; R515-S583 PolarHBondContact N-O 3.02Å; R515-S583 PolarHBondContact O-N 2.92Å
584	F	94.8	Very high	89.9	Confident	1 Å²	1	21.6 Å²	21.6	0%	0.004	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132.8	158.8	-81.8	-94.1	0	0	0	109.7	A507 L509 G510 K513 F514 P536 L543 V615 A618 V619	A507-F584 PolarHBondContact O-N 3.36Å; L509-F584 CarbonylContact C-O 3.51Å; L509-F584 WeakPolarHBondContact CA-O 2.79Å; L509-F584 WeakPolarHBondContact CB-O 3.49Å; L509-F584 PolarHBondContact N-O 3.15Å; G510-F584 PolarHBondContact N-O 3.18Å; G510-F584 VanDerWaalsContact O-CB 3.22Å; G510-F584 WeakPolarHBondContact O-CB 3.46Å; K513-F584 CarbonylContact O-C 3.56Å; K513-F584 WeakPolarHBondContact O-CA 3.42Å; F514-F584 HydrophobicContact CB-CD1 4.33Å; F514-F584 HydrophobicContact CB-CE1 3.97Å; F514-F584 HydrophobicContact CB-CZ 4.15Å; F514-F584 AromaticContact CD2-CD2 4Å; F514-F584 HydrophobicContact CD2-CD2 4Å; F514-F584 HydrophobicContact CD2-CE1 4.46Å; F514-F584 AromaticContact CD2-CE2 3.69Å; F514-F584 HydrophobicContact CD2-CE2 3.69Å; F514-F584 AromaticContact CD2-CZ 3.94Å; F514-F584 HydrophobicContact CD2-CZ 3.94Å; F514-F584 HydrophobicContact CE2-CE2 4.38Å; F514-F584 HydrophobicContact CG-CZ 4.44Å; P536-F584 HydrophobicContact CG-CE1 4.02Å; P536-F584 HydrophobicContact CG-CZ 4.05Å; L543-F584 HydrophobicContact CD1-CZ 4.05Å; L543-F584 HydrophobicContact CD2-CE1 3.94Å; L543-F584 HydrophobicContact CD2-CZ 3.69Å; F584-V615 HydrophobicContact CB-CG1 3.76Å; F584-V615 HydrophobicContact CD1-CG1 4.15Å; F584-V615 HydrophobicContact CD2-CG1 3.62Å; F584-V615 HydrophobicContact CE2-CG1 4.21Å; F584-V615 HydrophobicContact CG-CG1 3.58Å; F584-A618 HydrophobicContact CE2-CB 4.26Å; F584-A618 HydrophobicContact CZ-CB 4.34Å; F584-V619 HydrophobicContact CD2-CG2 3.49Å; F584-V619 VanDerWaalsContact CD2-CG2 3.49Å; F584-V619 HydrophobicContact CE2-CG2 3.7Å
585	V	91.7	Very high	90	Very high	19 Å²	19	23.5 Å²	23.5	12%	0.115	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	165	-177.2	-58.1	0	0	0	0	110.3	L509 D512 K513 R515	L509-V585 HydrophobicContact CB-CG1 4.43Å; D512-V585 PolarHBondContact N-O 3.01Å; K513-V585 HydrophobicContact CB-CG2 4.14Å; K513-V585 PolarHBondContact N-O 3.45Å; K513-V585 PolarHBondContact O-N 3.35Å; R515-V585 HydrophobicContact CG-CG2 3.98Å
586	E	86	Confident	90	Very high	22 Å²	22	23.6 Å²	23.6	10%	0.103	13%	0.131	C	C	.	.			trans	-85.1	156.4	169.4	-60.6	-78.7	119.3	0	0	110.6	K307 G510 N511	K307-E586 IonicContact NZ-OE2 2.86Å; K307-E586 PolarHBondContact NZ-OE2 3.11Å; G510-E586 WeakPolarHBondContact CA-OE1 3.17Å; N511-E586 PolarHBondContact N-OE1 3.26Å; N511-E586 PolarHBondContact OD1-OE1 3.37Å
587	D	69	Low	89.9	Confident	67 Å²	67	27.2 Å²	27.2	36%	0.358	15%	0.147	S	C	.	.	S	Bend	trans	-60	-52.4	-174.9	-100.4	32.7	0	0	0	113.8	K513	K513-D587 WeakPolarHBondContact CD-OD1 3.41Å; K513-D587 WeakPolarHBondContact CE-OD1 3.25Å; K513-D587 WeakPolarHBondContact CE-OD2 3.45Å; K513-D587 WeakPolarHBondContact CG-OD1 3.15Å; K513-D587 IonicContact NZ-OD1 2.91Å; K513-D587 PolarHBondContact NZ-OD1 2.86Å; K513-D587 IonicContact NZ-OD2 3.08Å; K513-D587 PolarHBondContact NZ-OD2 3.39Å
588	D	63	Low	89.8	Confident	149 Å²	149	29.4 Å²	29.4	80%	0.797	16%	0.157	S	C	*	.	S	Bend	trans	-110.5	-11.1	-165.3	-68.8	-40.4	0	0	0	113.8
589	Q	73.2	Confident	89.7	Confident	57 Å²	57	29.4 Å²	29.4	27%	0.266	16%	0.157	S	C	.	.			trans	-143	142.7	-166.8	-76.7	150.9	11.3	0	0	113.4	S302	S302-Q589 VanDerWaalsContact N-CD 3.35Å; S302-Q589 PolarHBondContact OG-OE1 3.4Å
590	A	84.2	Confident	89.5	Confident	64 Å²	64	31 Å²	31	53%	0.529	17%	0.167	S	C	.	.			trans	-73.2	151.1	172.9	0	0	0	0	0	111.1	P592	A590-P592 WeakPolarHBondContact O-CD 3.43Å
591	Y	91.3	Very high	89.4	Confident	12 Å²	12	31.4 Å²	31.4	5%	0.047	17%	0.168	C	C	.	.			trans	-59	118.4	170.7	178.9	-116.5	0	0	0	109.8	A438 L509 F593 L594 D599 L604 V607	A438-Y591 HydrophobicContact CB-CD1 3.99Å; A438-Y591 HydrophobicContact CB-CE1 3.49Å; A438-Y591 VanDerWaalsContact CB-CE1 3.49Å; L509-Y591 HydrophobicContact CD2-CD1 4.22Å; L509-Y591 HydrophobicContact CD2-CG 4.47Å; L509-Y591 WeakPolarHBondContact O-CB 3.35Å; Y591-F593 VanDerWaalsContact C-N 3.33Å; Y591-F593 HydrophobicContact CE1-CB 3.82Å; Y591-F593 AromaticContact CE2-CD2 3.8Å; Y591-F593 HydrophobicContact CE2-CD2 3.8Å; Y591-F593 AromaticContact CZ-CD2 3.77Å; Y591-F593 PolarHBondContact O-N 3.23Å; Y591-L594 HydrophobicContact CD1-CB 3.9Å; Y591-L594 HydrophobicContact CD1-CD1 4.38Å; Y591-D599 WeakPolarHBondContact CE1-OD1 3.28Å; Y591-D599 PolarHBondContact OH-OD1 3.45Å; Y591-L604 HydrophobicContact CD2-CD1 4.39Å; Y591-L604 HydrophobicContact CE2-CD1 3.73Å; Y591-V607 HydrophobicContact CD2-CG1 4.31Å; Y591-V607 HydrophobicContact CE2-CB 4.39Å; Y591-V607 HydrophobicContact CE2-CG1 4.44Å; Y591-V607 HydrophobicContact CE2-CG2 4.16Å
592	P	90.6	Very high	89.2	Confident	12 Å²	12	36.4 Å²	36.4	8%	0.078	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-24.8	-165.6	25.5	-34	0	0	0	114.3	F301 L310 A590	F301-P592 HydrophobicContact CD1-CB 3.74Å; F301-P592 HydrophobicContact CE1-CB 4.25Å; F301-P592 HydrophobicContact CG-CB 4.26Å; L310-P592 HydrophobicContact CB-CB 4.23Å; A590-P592 WeakPolarHBondContact O-CD 3.43Å
593	F	94.3	Very high	89.2	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.018	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	0.4	-173.3	-47.9	-60.2	0	0	0	113.3	P308 S309 L310 Y591 H595 T596 E598 D599 N603 V607	P308-F593 HydrophobicContact CB-CE2 3.77Å; P308-F593 HydrophobicContact CB-CZ 3.54Å; S309-F593 WeakPolarHBondContact O-CE1 3.21Å; L310-F593 HydrophobicContact CD1-CD1 4.18Å; Y591-F593 VanDerWaalsContact C-N 3.33Å; Y591-F593 HydrophobicContact CE1-CB 3.82Å; Y591-F593 AromaticContact CE2-CD2 3.8Å; Y591-F593 HydrophobicContact CE2-CD2 3.8Å; Y591-F593 AromaticContact CZ-CD2 3.77Å; Y591-F593 PolarHBondContact O-N 3.23Å; F593-H595 PolarHBondContact O-N 2.93Å; F593-T596 PolarHBondContact O-N 2.92Å; F593-T596 VanDerWaalsContact O-N 3.11Å; F593-T596 PolarHBondContact O-OG1 3.5Å; F593-T596 VanDerWaalsContact O-OG1 3.12Å; F593-E598 HydrophobicContact CB-CB 4.16Å; F593-E598 HydrophobicContact CD1-CB 3.52Å; F593-E598 HydrophobicContact CD1-CG 4.48Å; F593-E598 WeakPolarHBondContact CD1-OE2 3.42Å; F593-E598 HydrophobicContact CE1-CB 4.21Å; F593-E598 WeakPolarHBondContact CE1-OE2 3.23Å; F593-E598 HydrophobicContact CG-CB 4.06Å; F593-D599 HydrophobicContact CB-CB 4.49Å; F593-D599 WeakPolarHBondContact O-CB 3.45Å; F593-N603 HydrophobicContact CD2-CB 3.8Å; F593-N603 HydrophobicContact CE2-CB 3.79Å; F593-N603 HydrophobicContact CZ-CB 4.48Å; F593-V607 HydrophobicContact CD2-CG2 4.41Å; F593-V607 HydrophobicContact CE2-CG2 3.83Å
594	L	93.6	Very high	89.2	Confident	37 Å²	37	38.1 Å²	38.1	19%	0.194	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	132.4	-179	-163	64.1	0	0	0	110.3	K439 L509 Y591 T596	K439-L594 HydrophobicContact CB-CD1 4.08Å; K439-L594 HydrophobicContact CD-CD1 4.33Å; L509-L594 HydrophobicContact CD2-CD1 3.91Å; L509-L594 HydrophobicContact CD2-CD2 4.5Å; Y591-L594 HydrophobicContact CD1-CB 3.9Å; Y591-L594 HydrophobicContact CD1-CD1 4.38Å; L594-T596 VanDerWaalsContact C-N 3.27Å; L594-T596 PolarHBondContact O-N 3.37Å
595	H	93.9	Very high	89.1	Confident	43 Å²	43	40.6 Å²	40.6	20%	0.199	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	30.7	-177.2	-54.8	-74.8	0	0	0	114.6	V316 Y317 K439 F593	V316-H595 HydrophobicContact CG1-CB 3.96Å; Y317-H595 WeakPolarHBondContact CB-O 3.33Å; Y317-H595 PolarHBondContact N-O 2.85Å; Y317-H595 VanDerWaalsContact O-CB 3.24Å; Y317-H595 WeakPolarHBondContact O-CB 3.16Å; K439-H595 WeakPolarHBondContact CE-CE1 3.33Å; F593-H595 PolarHBondContact O-N 2.93Å
596	T	94.3	Very high	89.1	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.235	C	C	.	.	S	Bend	trans	-125.9	169.7	170.6	84.6	0	0	0	0	111.2	L310 Q314 V316 F593 L594 E598 D599	L310-T596 HydrophobicContact CD1-CG2 3.77Å; L310-T596 HydrophobicContact CD2-CG2 4.35Å; Q314-T596 PolarHBondContact OE1-OG1 2.92Å; V316-T596 HydrophobicContact CG2-CG2 4.14Å; F593-T596 PolarHBondContact O-N 2.92Å; F593-T596 VanDerWaalsContact O-N 3.11Å; F593-T596 PolarHBondContact O-OG1 3.5Å; F593-T596 VanDerWaalsContact O-OG1 3.12Å; L594-T596 VanDerWaalsContact C-N 3.27Å; L594-T596 PolarHBondContact O-N 3.37Å; T596-E598 PolarHBondContact O-N 2.85Å; T596-E598 WeakPolarHBondContact OG1-CB 3.49Å; T596-E598 PolarHBondContact OG1-N 3.2Å; T596-E598 VanDerWaalsContact OG1-N 3.12Å; T596-D599 PolarHBondContact O-N 3.14Å
597	K	92.3	Very high	89.3	Confident	77 Å²	77	46.1 Å²	46.1	34%	0.335	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13.4	173.3	-75.9	167.8	-178.2	163.5	0	112.6	D225 D227 W433 P435 D599	D225-K597 IonicContact OD1-NZ 3.92Å; D225-K597 PolarHBondContact OD1-NZ 2.8Å; D227-K597 IonicContact OD2-NZ 2.95Å; D227-K597 PolarHBondContact OD2-NZ 2.91Å; W433-K597 HydrophobicContact CE3-CG 4.48Å; W433-K597 HydrophobicContact CH2-CD 3.89Å; W433-K597 HydrophobicContact CH2-CG 3.7Å; W433-K597 HydrophobicContact CZ3-CB 4.46Å; W433-K597 HydrophobicContact CZ3-CD 4.35Å; W433-K597 HydrophobicContact CZ3-CG 3.65Å; P435-K597 WeakPolarHBondContact CD-O 3.26Å; K597-D599 VanDerWaalsContact C-N 3.3Å
598	E	93.7	Very high	90.3	Very high	46 Å²	46	42.9 Å²	42.9	22%	0.215	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.2	175.3	-81.4	175.1	-162	0	0	113.5	Q314 F593 T596 T600 N603	Q314-E598 VanDerWaalsContact NE2-CG 3.31Å; Q314-E598 PolarHBondContact NE2-OE1 2.93Å; Q314-E598 PolarHBondContact OE1-OE1 3.35Å; F593-E598 HydrophobicContact CB-CB 4.16Å; F593-E598 HydrophobicContact CD1-CB 3.52Å; F593-E598 HydrophobicContact CD1-CG 4.48Å; F593-E598 WeakPolarHBondContact CD1-OE2 3.42Å; F593-E598 HydrophobicContact CE1-CB 4.21Å; F593-E598 WeakPolarHBondContact CE1-OE2 3.23Å; F593-E598 HydrophobicContact CG-CB 4.06Å; T596-E598 PolarHBondContact O-N 2.85Å; T596-E598 WeakPolarHBondContact OG1-CB 3.49Å; T596-E598 PolarHBondContact OG1-N 3.2Å; T596-E598 VanDerWaalsContact OG1-N 3.12Å; E598-T600 PolarHBondContact O-N 2.76Å; E598-N603 PolarHBondContact O-ND2 3.07Å
599	D	95.1	Very high	91.6	Very high	2 Å²	2	43 Å²	43	1%	0.011	22%	0.215	C	C	.	.			trans	-72.6	64.7	172.3	-165.7	12.5	0	0	0	112	G436 A437 A438 K439 Y591 F593 T596 K597	G436-D599 VanDerWaalsContact CA-OD2 3.31Å; G436-D599 WeakPolarHBondContact CA-OD2 3.37Å; G436-D599 PolarHBondContact N-O 3.06Å; G436-D599 VanDerWaalsContact N-O 3.11Å; A437-D599 WeakPolarHBondContact CB-O 3.46Å; A437-D599 PolarHBondContact N-O 3.41Å; A437-D599 PolarHBondContact N-OD2 3.45Å; A438-D599 VanDerWaalsContact CB-OD1 3.31Å; A438-D599 WeakPolarHBondContact CB-OD1 3.38Å; A438-D599 PolarHBondContact N-OD1 3.43Å; A438-D599 PolarHBondContact N-OD2 2.89Å; K439-D599 WeakPolarHBondContact CB-OD2 3.11Å; K439-D599 PolarHBondContact N-OD2 3.28Å; Y591-D599 WeakPolarHBondContact CE1-OD1 3.28Å; Y591-D599 PolarHBondContact OH-OD1 3.45Å; F593-D599 HydrophobicContact CB-CB 4.49Å; F593-D599 WeakPolarHBondContact O-CB 3.45Å; T596-D599 PolarHBondContact O-N 3.14Å; K597-D599 VanDerWaalsContact C-N 3.3Å
600	T	94.9	Very high	92.5	Very high	33 Å²	33	41.9 Å²	41.9	20%	0.202	22%	0.219	C	C	.	.			trans	-99.6	159.3	-179.1	65.1	0	0	0	0	111.4	P435 E598 E602 N603 L604	P435-T600 HydrophobicContact CG-CG2 4.15Å; E598-T600 PolarHBondContact O-N 2.76Å; T600-E602 PolarHBondContact O-N 2.72Å; T600-N603 PolarHBondContact O-N 2.77Å; T600-N603 WeakPolarHBondContact OG1-CB 3.47Å; T600-N603 PolarHBondContact OG1-N 2.9Å; T600-L604 PolarHBondContact O-N 2.73Å
601	Y	95.2	Very high	92.8	Very high	9 Å²	9	42.4 Å²	42.4	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-56.2	-43.6	174.8	173.3	-92.1	0	0	0	111	E151 I154 R155 L604 H605 L612	E151-Y601 VanDerWaalsContact CG-OH 3.29Å; E151-Y601 WeakPolarHBondContact CG-OH 3.44Å; E151-Y601 PolarHBondContact OE1-OH 3.49Å; I154-Y601 HydrophobicContact CB-CE2 4.45Å; I154-Y601 HydrophobicContact CG2-CD2 3.87Å; I154-Y601 HydrophobicContact CG2-CE2 4.16Å; R155-Y601 HydrophobicContact CB-CD2 4.09Å; R155-Y601 HydrophobicContact CB-CE2 4.09Å; R155-Y601 HydrophobicContact CB-CG 4.33Å; R155-Y601 HydrophobicContact CG-CD1 4.15Å; R155-Y601 HydrophobicContact CG-CE1 4.4Å; R155-Y601 HydrophobicContact CG-CG 4.25Å; R155-Y601 VanDerWaalsContact NE-CE1 3.31Å; R155-Y601 PolarHBondContact NH2-OH 2.97Å; R155-Y601 VanDerWaalsContact NH2-OH 3.17Å; Y601-L604 PolarHBondContact O-N 3.33Å; Y601-H605 HydrophobicContact CE1-CB 4.14Å; Y601-H605 WeakPolarHBondContact O-CB 3.25Å; Y601-H605 PolarHBondContact O-N 3.45Å; Y601-H605 PolarHBondContact OH-ND1 3.37Å; Y601-L612 HydrophobicContact CD2-CD2 4.01Å; Y601-L612 HydrophobicContact CE2-CD2 3.69Å
602	E	94.1	Very high	93	Very high	107 Å²	107	41.8 Å²	41.8	50%	0.5	21%	0.205	S	C	.	.	H	α-helix	trans	-63.2	-44.2	-177.5	-66.3	69.6	-153.7	0	0	111.6	T600 K606	T600-E602 PolarHBondContact O-N 2.72Å; E602-K606 WeakPolarHBondContact O-CB 3.32Å; E602-K606 PolarHBondContact O-N 3.38Å
603	N	93.7	Very high	93.1	Very high	39 Å²	39	42.6 Å²	42.6	21%	0.209	21%	0.21	C	C	.	.	H	α-helix	trans	-67.5	-46.7	178.5	-81.3	-14.9	0	0	0	111.5	F593 E598 T600 H605 K606 V607	F593-N603 HydrophobicContact CD2-CB 3.8Å; F593-N603 HydrophobicContact CE2-CB 3.79Å; F593-N603 HydrophobicContact CZ-CB 4.48Å; E598-N603 PolarHBondContact O-ND2 3.07Å; T600-N603 PolarHBondContact O-N 2.77Å; T600-N603 WeakPolarHBondContact OG1-CB 3.47Å; T600-N603 PolarHBondContact OG1-N 2.9Å; N603-H605 PolarHBondContact O-N 3.23Å; N603-K606 PolarHBondContact O-N 2.95Å; N603-V607 VanDerWaalsContact O-CG2 3.32Å; N603-V607 WeakPolarHBondContact O-CG2 3.24Å; N603-V607 PolarHBondContact O-N 3.47Å
604	L	94.1	Very high	93.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-47.2	176.5	-178.9	60	0	0	0	111.4	A437 A438 V442 Y591 T600 Y601 K606 V607 L608 L612	A437-L604 HydrophobicContact CB-CD2 4.32Å; A438-L604 HydrophobicContact CB-CD1 3.99Å; A438-L604 HydrophobicContact CB-CD2 3.9Å; A438-L604 HydrophobicContact CB-CG 4.48Å; V442-L604 HydrophobicContact CG2-CD2 3.82Å; Y591-L604 HydrophobicContact CD2-CD1 4.39Å; Y591-L604 HydrophobicContact CE2-CD1 3.73Å; T600-L604 PolarHBondContact O-N 2.73Å; Y601-L604 PolarHBondContact O-N 3.33Å; L604-K606 VanDerWaalsContact C-N 3.29Å; L604-K606 PolarHBondContact O-N 2.92Å; L604-V607 PolarHBondContact O-N 3.03Å; L604-L608 HydrophobicContact CD1-CD1 3.78Å; L604-L608 HydrophobicContact CD1-CG 4.25Å; L604-L608 HydrophobicContact CG-CD1 3.97Å; L604-L608 VanDerWaalsContact O-CG 3.29Å; L604-L608 WeakPolarHBondContact O-CG 3.33Å; L604-L608 PolarHBondContact O-N 3.47Å; L604-L612 HydrophobicContact CD2-CD1 3.74Å; L604-L612 HydrophobicContact CD2-CD2 3.94Å; L604-L612 HydrophobicContact CG-CD1 4.07Å; L604-L612 HydrophobicContact CG-CD2 4.11Å
605	H	93	Very high	93.1	Very high	52 Å²	52	42.7 Å²	42.7	24%	0.241	22%	0.217	C	C	.	.	H	α-helix	trans	-62.2	-37.8	178.8	-169.7	78.8	0	0	0	111.7	Y601 N603 Q609 G610 L612	Y601-H605 HydrophobicContact CE1-CB 4.14Å; Y601-H605 WeakPolarHBondContact O-CB 3.25Å; Y601-H605 PolarHBondContact O-N 3.45Å; Y601-H605 PolarHBondContact OH-ND1 3.37Å; N603-H605 PolarHBondContact O-N 3.23Å; H605-Q609 PolarHBondContact O-N 3.27Å; H605-G610 VanDerWaalsContact CE1-CA 3.48Å; H605-G610 WeakPolarHBondContact CE1-CA 3.41Å; H605-G610 PolarHBondContact CE1-O 2.83Å; H605-G610 WeakPolarHBondContact NE2-CA 3.45Å; H605-G610 PolarHBondContact O-N 2.85Å; H605-L612 HydrophobicContact CB-CD2 4.34Å
606	K	91.7	Very high	93.2	Very high	135 Å²	135	40.7 Å²	40.7	59%	0.587	21%	0.207	S	C	*	.	H	α-helix	trans	-68	-45.7	175.3	-175.4	-178.5	177.8	-172	0	112.5	P308 E602 N603 L604 L608 Q609	P308-K606 HydrophobicContact CG-CD 3.84Å; P308-K606 HydrophobicContact CG-CG 3.96Å; E602-K606 WeakPolarHBondContact O-CB 3.32Å; E602-K606 PolarHBondContact O-N 3.38Å; N603-K606 PolarHBondContact O-N 2.95Å; L604-K606 VanDerWaalsContact C-N 3.29Å; L604-K606 PolarHBondContact O-N 2.92Å; K606-L608 PolarHBondContact O-N 3.45Å; K606-Q609 PolarHBondContact O-N 2.92Å
607	V	89.9	Confident	93.3	Very high	22 Å²	22	43.9 Å²	43.9	13%	0.133	22%	0.222	C	C	.	.	H	α-helix	trans	-56.8	-41.9	176.4	167.5	0	0	0	0	110.4	P308 Y591 F593 N603 L604 Q609	P308-V607 HydrophobicContact CB-CG2 4.03Å; P308-V607 HydrophobicContact CG-CG2 3.87Å; Y591-V607 HydrophobicContact CD2-CG1 4.31Å; Y591-V607 HydrophobicContact CE2-CB 4.39Å; Y591-V607 HydrophobicContact CE2-CG1 4.44Å; Y591-V607 HydrophobicContact CE2-CG2 4.16Å; F593-V607 HydrophobicContact CD2-CG2 4.41Å; F593-V607 HydrophobicContact CE2-CG2 3.83Å; N603-V607 VanDerWaalsContact O-CG2 3.32Å; N603-V607 WeakPolarHBondContact O-CG2 3.24Å; N603-V607 PolarHBondContact O-N 3.47Å; L604-V607 PolarHBondContact O-N 3.03Å; V607-Q609 PolarHBondContact O-N 3.4Å
608	L	90.9	Very high	93.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	6.5	179.7	-59.6	171.7	0	0	0	113.9	V508 G510 N511 L604 K606 G610 R611 L612	V508-L608 HydrophobicContact CG1-CD1 3.53Å; V508-L608 HydrophobicContact CG1-CD2 4.34Å; G510-L608 WeakPolarHBondContact O-CD2 3.47Å; N511-L608 HydrophobicContact CB-CD2 3.93Å; N511-L608 PolarHBondContact ND2-O 3.36Å; L604-L608 HydrophobicContact CD1-CD1 3.78Å; L604-L608 HydrophobicContact CD1-CG 4.25Å; L604-L608 HydrophobicContact CG-CD1 3.97Å; L604-L608 VanDerWaalsContact O-CG 3.29Å; L604-L608 WeakPolarHBondContact O-CG 3.33Å; L604-L608 PolarHBondContact O-N 3.47Å; K606-L608 PolarHBondContact O-N 3.45Å; L608-G610 PolarHBondContact O-N 2.84Å; L608-R611 VanDerWaalsContact O-CB 3.31Å; L608-R611 WeakPolarHBondContact O-CB 3.45Å; L608-R611 PolarHBondContact O-N 3.41Å; L608-L612 HydrophobicContact CD1-CB 3.78Å; L608-L612 HydrophobicContact CD1-CD1 3.59Å; L608-L612 HydrophobicContact CD1-CG 4.24Å
609	Q	90.6	Very high	93.6	Very high	151 Å²	151	38.3 Å²	38.3	71%	0.706	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	38.7	-179.7	-54.2	175.6	11.8	0	0	112.7	H605 K606 V607 R611	H605-Q609 PolarHBondContact O-N 3.27Å; K606-Q609 PolarHBondContact O-N 2.92Å; V607-Q609 PolarHBondContact O-N 3.4Å; Q609-R611 VanDerWaalsContact C-N 3.3Å; Q609-R611 PolarHBondContact O-N 3.36Å
610	G	90.5	Very high	93.7	Very high	34 Å²	34	38.2 Å²	38.2	35%	0.351	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-3.2	-179.1	0	0	0	0	0	115.5	H605 L608 L612	H605-G610 VanDerWaalsContact CE1-CA 3.48Å; H605-G610 WeakPolarHBondContact CE1-CA 3.41Å; H605-G610 PolarHBondContact CE1-O 2.83Å; H605-G610 WeakPolarHBondContact NE2-CA 3.45Å; H605-G610 PolarHBondContact O-N 2.85Å; L608-G610 PolarHBondContact O-N 2.84Å; G610-L612 VanDerWaalsContact C-N 3.28Å; G610-L612 PolarHBondContact O-N 2.82Å
611	R	91.9	Very high	93.8	Very high	74 Å²	74	38.2 Å²	38.2	28%	0.279	20%	0.195	S	C	.	.			trans	-81.4	2.7	-176	-60.7	-170.9	-73.3	-178.7	-4.1	115.1	N511 N537 L608 Q609 P613 A614 V615	N511-R611 PolarHBondContact ND2-NE 3.26Å; N511-R611 PolarHBondContact ND2-NH2 3.13Å; N511-R611 PolarHBondContact OD1-NH2 2.81Å; N537-R611 PolarHBondContact OD1-NH1 3.3Å; L608-R611 VanDerWaalsContact O-CB 3.31Å; L608-R611 WeakPolarHBondContact O-CB 3.45Å; L608-R611 PolarHBondContact O-N 3.41Å; Q609-R611 VanDerWaalsContact C-N 3.3Å; Q609-R611 PolarHBondContact O-N 3.36Å; R611-P613 VanDerWaalsContact C-CD 3.5Å; R611-A614 PolarHBondContact O-N 2.77Å; R611-A614 VanDerWaalsContact O-N 3.1Å; R611-V615 HydrophobicContact CB-CG2 4.33Å; R611-V615 WeakPolarHBondContact O-CG2 3.42Å; R611-V615 PolarHBondContact O-N 2.86Å; R611-V615 VanDerWaalsContact O-N 3.08Å
612	L	93.9	Very high	93.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-48.1	-47.9	-177.3	176.1	58.5	0	0	0	113.8	I154 V442 V508 Y601 L604 H605 L608 G610 A614 V615 A616	I154-L612 HydrophobicContact CD1-CG 4.41Å; I154-L612 HydrophobicContact CG2-CD2 4.29Å; V442-L612 HydrophobicContact CG2-CD1 3.97Å; V508-L612 HydrophobicContact CB-CD1 4.41Å; V508-L612 HydrophobicContact CG1-CD1 4.03Å; Y601-L612 HydrophobicContact CD2-CD2 4.01Å; Y601-L612 HydrophobicContact CE2-CD2 3.69Å; L604-L612 HydrophobicContact CD2-CD1 3.74Å; L604-L612 HydrophobicContact CD2-CD2 3.94Å; L604-L612 HydrophobicContact CG-CD1 4.07Å; L604-L612 HydrophobicContact CG-CD2 4.11Å; H605-L612 HydrophobicContact CB-CD2 4.34Å; L608-L612 HydrophobicContact CD1-CB 3.78Å; L608-L612 HydrophobicContact CD1-CD1 3.59Å; L608-L612 HydrophobicContact CD1-CG 4.24Å; G610-L612 VanDerWaalsContact C-N 3.28Å; G610-L612 PolarHBondContact O-N 2.82Å; L612-A614 PolarHBondContact O-N 3.34Å; L612-V615 PolarHBondContact O-N 2.95Å; L612-A616 WeakPolarHBondContact O-CB 3.41Å; L612-A616 PolarHBondContact O-N 3.06Å
613	P	93.3	Very high	94	Very high	29 Å²	29	32.8 Å²	32.8	19%	0.188	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-41.3	-179.7	-22.7	35.6	0	0	0	113.2	E151 R611 A616 Q617	E151-P613 HydrophobicContact CB-CB 4.21Å; E151-P613 HydrophobicContact CB-CG 3.82Å; E151-P613 HydrophobicContact CG-CG 3.81Å; R611-P613 VanDerWaalsContact C-CD 3.5Å; P613-A616 PolarHBondContact O-N 2.89Å; P613-Q617 VanDerWaalsContact O-CB 3.31Å; P613-Q617 WeakPolarHBondContact O-CB 3.27Å; P613-Q617 PolarHBondContact O-N 2.88Å
614	A	93.6	Very high	94.2	Very high	43 Å²	43	30.9 Å²	30.9	36%	0.355	16%	0.16	S	C	.	.	H	α-helix	trans	-66.4	-41.7	-179.6	0	0	0	0	0	111.9	P536 R611 L612 Q617 A618	P536-A614 HydrophobicContact CB-CB 4.42Å; R611-A614 PolarHBondContact O-N 2.77Å; R611-A614 VanDerWaalsContact O-N 3.1Å; L612-A614 PolarHBondContact O-N 3.34Å; A614-Q617 PolarHBondContact O-N 3.18Å; A614-A618 PolarHBondContact O-N 2.98Å
615	V	95.4	Very high	94.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.9	-43.5	177.9	-175.2	0	0	0	0	110.9	V508 N511 P536 F584 R611 L612 Q617 A618 V619	V508-V615 HydrophobicContact CB-CG1 4.5Å; V508-V615 HydrophobicContact CG1-CB 4.21Å; V508-V615 HydrophobicContact CG1-CG1 3.77Å; V508-V615 HydrophobicContact CG2-CG1 3.95Å; N511-V615 HydrophobicContact CB-CG2 3.77Å; P536-V615 HydrophobicContact CB-CG2 4.15Å; P536-V615 HydrophobicContact CG-CG2 4.18Å; F584-V615 HydrophobicContact CB-CG1 3.76Å; F584-V615 HydrophobicContact CD1-CG1 4.15Å; F584-V615 HydrophobicContact CD2-CG1 3.62Å; F584-V615 HydrophobicContact CE2-CG1 4.21Å; F584-V615 HydrophobicContact CG-CG1 3.58Å; R611-V615 HydrophobicContact CB-CG2 4.33Å; R611-V615 WeakPolarHBondContact O-CG2 3.42Å; R611-V615 PolarHBondContact O-N 2.86Å; R611-V615 VanDerWaalsContact O-N 3.08Å; L612-V615 PolarHBondContact O-N 2.95Å; V615-Q617 VanDerWaalsContact C-N 3.28Å; V615-Q617 PolarHBondContact O-N 3.23Å; V615-A618 PolarHBondContact O-N 3.11Å; V615-V619 PolarHBondContact O-N 2.98Å; V615-V619 VanDerWaalsContact O-N 3.08Å
616	A	96.2	Very high	94.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-38.5	174.5	0	0	0	0	0	111.9	I154 V442 I446 V508 L612 P613 V619 A620	I154-A616 HydrophobicContact CD1-CB 3.99Å; V442-A616 HydrophobicContact CG1-CB 4.22Å; I446-A616 HydrophobicContact CD1-CB 4.41Å; V508-A616 HydrophobicContact CG2-CB 4.42Å; L612-A616 WeakPolarHBondContact O-CB 3.41Å; L612-A616 PolarHBondContact O-N 3.06Å; P613-A616 PolarHBondContact O-N 2.89Å; A616-V619 PolarHBondContact O-N 2.87Å; A616-A620 WeakPolarHBondContact O-CB 3.39Å; A616-A620 PolarHBondContact O-N 2.89Å
617	Q	95.2	Very high	94.9	Very high	69 Å²	69	22 Å²	22	32%	0.322	12%	0.121	S	C	.	.	H	α-helix	trans	-65.1	-40.6	174.8	-171.7	175.9	7.6	0	0	112	L145 L150 P613 A614 V615 V619 A620 Q621	L145-Q617 HydrophobicContact CD2-CG 4.39Å; L150-Q617 HydrophobicContact CD1-CB 4.09Å; P613-Q617 VanDerWaalsContact O-CB 3.31Å; P613-Q617 WeakPolarHBondContact O-CB 3.27Å; P613-Q617 PolarHBondContact O-N 2.88Å; A614-Q617 PolarHBondContact O-N 3.18Å; V615-Q617 VanDerWaalsContact C-N 3.28Å; V615-Q617 PolarHBondContact O-N 3.23Å; Q617-V619 VanDerWaalsContact C-N 3.35Å; Q617-V619 PolarHBondContact O-N 3.19Å; Q617-A620 PolarHBondContact O-N 3.15Å; Q617-Q621 WeakPolarHBondContact O-CG 3.38Å; Q617-Q621 PolarHBondContact O-N 3.45Å
618	A	95.6	Very high	95.3	Very high	5 Å²	5	21 Å²	21	4%	0.041	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-41.5	175.2	0	0	0	0	0	112.1	P536 F584 A614 V615 Q621 L622	P536-A618 HydrophobicContact CB-CB 4.38Å; P536-A618 HydrophobicContact CG-CB 4.11Å; F584-A618 HydrophobicContact CE2-CB 4.26Å; F584-A618 HydrophobicContact CZ-CB 4.34Å; A614-A618 PolarHBondContact O-N 2.98Å; V615-A618 PolarHBondContact O-N 3.11Å; A618-Q621 PolarHBondContact O-N 3.42Å; A618-L622 PolarHBondContact O-N 3.13Å
619	V	96.9	Very high	95.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.8	-43	173.9	-179.7	0	0	0	0	111.4	I446 A507 V508 F582 F584 V615 A616 Q617 Q621 L622 A623	I446-V619 HydrophobicContact CD1-CB 4.03Å; I446-V619 HydrophobicContact CD1-CG1 4Å; A507-V619 HydrophobicContact CB-CG1 4.04Å; V508-V619 HydrophobicContact CG2-CG2 4.28Å; F582-V619 HydrophobicContact CB-CG1 4.32Å; F584-V619 HydrophobicContact CD2-CG2 3.49Å; F584-V619 VanDerWaalsContact CD2-CG2 3.49Å; F584-V619 HydrophobicContact CE2-CG2 3.7Å; V615-V619 PolarHBondContact O-N 2.98Å; V615-V619 VanDerWaalsContact O-N 3.08Å; A616-V619 PolarHBondContact O-N 2.87Å; Q617-V619 VanDerWaalsContact C-N 3.35Å; Q617-V619 PolarHBondContact O-N 3.19Å; V619-Q621 VanDerWaalsContact C-N 3.29Å; V619-Q621 PolarHBondContact O-N 3.44Å; V619-L622 WeakPolarHBondContact O-CB 3.46Å; V619-L622 PolarHBondContact O-N 3.04Å; V619-A623 WeakPolarHBondContact O-CB 3.31Å; V619-A623 PolarHBondContact O-N 3.35Å
620	A	97.4	Very high	95.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.3	-40.2	175.2	0	0	0	0	0	111.5	L145 L150 I446 A616 Q617 G624	L145-A620 HydrophobicContact CD1-CB 3.99Å; L145-A620 HydrophobicContact CD2-CB 4.2Å; L150-A620 HydrophobicContact CD1-CB 4.45Å; I446-A620 HydrophobicContact CG1-CB 4.46Å; I446-A620 HydrophobicContact CG2-CB 3.82Å; A616-A620 WeakPolarHBondContact O-CB 3.39Å; A616-A620 PolarHBondContact O-N 2.89Å; Q617-A620 PolarHBondContact O-N 3.15Å; A620-G624 PolarHBondContact O-N 3.29Å
621	Q	96.7	Very high	96.2	Very high	33 Å²	33	15 Å²	15	15%	0.154	8%	0.075	C	C	.	.	H	α-helix	trans	-62.9	-47.6	175.3	-73.4	-178.7	19.6	0	0	112.2	L142 L145 V533 Q617 A618 V619 G624 Q625	L142-Q621 HydrophobicContact CD2-CG 3.82Å; L145-Q621 HydrophobicContact CD2-CB 4.3Å; L145-Q621 HydrophobicContact CD2-CG 3.34Å; V533-Q621 HydrophobicContact CG1-CB 4.19Å; V533-Q621 HydrophobicContact CG2-CB 4.32Å; Q617-Q621 WeakPolarHBondContact O-CG 3.38Å; Q617-Q621 PolarHBondContact O-N 3.45Å; A618-Q621 PolarHBondContact O-N 3.42Å; V619-Q621 VanDerWaalsContact C-N 3.29Å; V619-Q621 PolarHBondContact O-N 3.44Å; Q621-G624 PolarHBondContact O-N 3.28Å; Q621-Q625 WeakPolarHBondContact O-CB 3.38Å; Q621-Q625 VanDerWaalsContact O-CG 3.31Å; Q621-Q625 WeakPolarHBondContact O-CG 3.48Å; Q621-Q625 PolarHBondContact O-N 3.32Å
622	L	96.6	Very high	96.4	Very high	2 Å²	2	14 Å²	14	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-56.8	-54.1	175.9	-87.3	158.2	0	0	0	112	F514 V529 L530 V533 L543 A618 V619 L626	F514-L622 HydrophobicContact CD2-CD1 3.96Å; F514-L622 HydrophobicContact CE1-CD1 4.49Å; F514-L622 HydrophobicContact CE2-CD1 3.37Å; F514-L622 HydrophobicContact CZ-CD1 3.67Å; F514-L622 HydrophobicContact CZ-CD2 4.33Å; V529-L622 HydrophobicContact CB-CD2 4.44Å; V529-L622 HydrophobicContact CG1-CD2 3.75Å; L530-L622 HydrophobicContact CD2-CD2 3.78Å; L530-L622 HydrophobicContact CG-CD2 4.36Å; V533-L622 HydrophobicContact CB-CG 4.35Å; V533-L622 HydrophobicContact CG1-CG 4.21Å; V533-L622 HydrophobicContact CG2-CD2 4.22Å; V533-L622 HydrophobicContact CG2-CG 4.06Å; L543-L622 HydrophobicContact CD1-CD1 3.55Å; L543-L622 HydrophobicContact CD1-CD2 4.48Å; L543-L622 HydrophobicContact CD1-CG 4.18Å; A618-L622 PolarHBondContact O-N 3.13Å; V619-L622 WeakPolarHBondContact O-CB 3.46Å; V619-L622 PolarHBondContact O-N 3.04Å; L622-L626 WeakPolarHBondContact O-CB 3.16Å; L622-L626 PolarHBondContact O-N 3.38Å
623	A	98	Very high	96.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62	-46.5	-179	0	0	0	0	0	111.2	I426 L450 V502 L504 F582 V619 L626 L627	I426-A623 HydrophobicContact CD1-CB 4.34Å; L450-A623 HydrophobicContact CD1-CB 4.04Å; V502-A623 HydrophobicContact CG1-CB 4.45Å; L504-A623 HydrophobicContact CD2-CB 3.99Å; F582-A623 HydrophobicContact CD2-CB 4.48Å; F582-A623 HydrophobicContact CE2-CB 4.44Å; V619-A623 WeakPolarHBondContact O-CB 3.31Å; V619-A623 PolarHBondContact O-N 3.35Å; A623-L626 PolarHBondContact O-N 3.31Å; A623-L627 VanDerWaalsContact O-CG 3.31Å; A623-L627 WeakPolarHBondContact O-CG 3.36Å; A623-L627 PolarHBondContact O-N 3.01Å
624	G	97.8	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.4	-42.4	-180	0	0	0	0	0	113.5	A620 Q621 L626 L627 I628	A620-G624 PolarHBondContact O-N 3.29Å; Q621-G624 PolarHBondContact O-N 3.28Å; G624-L626 VanDerWaalsContact C-N 3.32Å; G624-L626 PolarHBondContact O-N 3.44Å; G624-L627 WeakPolarHBondContact O-CB 3.23Å; G624-L627 PolarHBondContact O-N 2.9Å; G624-I628 VanDerWaalsContact O-CG1 3.31Å; G624-I628 WeakPolarHBondContact O-CG1 3.39Å; G624-I628 PolarHBondContact O-N 3.01Å
625	Q	97.6	Very high	96.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62	-40.9	174.4	-74.8	-171.4	38.4	0	0	111.7	W134 F141 V529 Q621 I628 R629	W134-Q625 HydrophobicContact CH2-CB 4.06Å; W134-Q625 HydrophobicContact CH2-CG 4.3Å; F141-Q625 HydrophobicContact CD1-CG 4.48Å; F141-Q625 HydrophobicContact CE1-CG 4.44Å; V529-Q625 HydrophobicContact CG1-CB 3.73Å; V529-Q625 HydrophobicContact CG2-CB 4.46Å; Q621-Q625 WeakPolarHBondContact O-CB 3.38Å; Q621-Q625 VanDerWaalsContact O-CG 3.31Å; Q621-Q625 WeakPolarHBondContact O-CG 3.48Å; Q621-Q625 PolarHBondContact O-N 3.32Å; Q625-I628 PolarHBondContact O-N 2.87Å; Q625-R629 WeakPolarHBondContact O-CG 3.27Å; Q625-R629 PolarHBondContact O-N 3.42Å
626	L	97.7	Very high	96.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-62.2	-43.6	174.3	-178.8	144.3	0	0	0	111.7	V502 L525 I526 F582 L622 A623 G624 I628 R629 L630	V502-L626 HydrophobicContact CG2-CD2 3.4Å; V502-L626 VanDerWaalsContact CG2-CD2 3.4Å; L525-L626 HydrophobicContact CD2-CD1 3.98Å; L525-L626 HydrophobicContact CD2-CG 3.91Å; L525-L626 HydrophobicContact CG-CD1 4.31Å; L525-L626 HydrophobicContact CG-CG 4.48Å; I526-L626 HydrophobicContact CG1-CD1 4.39Å; F582-L626 HydrophobicContact CZ-CD1 3.94Å; L622-L626 WeakPolarHBondContact O-CB 3.16Å; L622-L626 PolarHBondContact O-N 3.38Å; A623-L626 PolarHBondContact O-N 3.31Å; G624-L626 VanDerWaalsContact C-N 3.32Å; G624-L626 PolarHBondContact O-N 3.44Å; L626-I628 VanDerWaalsContact C-N 3.34Å; L626-I628 PolarHBondContact O-N 3.26Å; L626-R629 PolarHBondContact O-N 2.85Å; L626-L630 HydrophobicContact CD2-CD1 3.35Å; L626-L630 HydrophobicContact CD2-CG 4.34Å; L626-L630 HydrophobicContact CG-CD1 3.96Å; L626-L630 WeakPolarHBondContact O-CB 3.38Å; L626-L630 VanDerWaalsContact O-CG 3.31Å; L626-L630 WeakPolarHBondContact O-CG 3.2Å; L626-L630 PolarHBondContact O-N 3.43Å
627	L	98.2	Very high	96.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.7	-40.5	174.4	-70.4	-177.9	0	0	0	112.2	V424 I426 F454 L468 F470 V502 A623 G624 S631	V424-L627 HydrophobicContact CB-CD2 4.39Å; V424-L627 HydrophobicContact CG1-CD2 3.41Å; V424-L627 VanDerWaalsContact CG1-CD2 3.41Å; I426-L627 HydrophobicContact CB-CD1 4.38Å; I426-L627 HydrophobicContact CB-CD2 4.3Å; I426-L627 HydrophobicContact CD1-CD1 3.76Å; I426-L627 HydrophobicContact CD1-CG 4.41Å; I426-L627 HydrophobicContact CG2-CD1 4.14Å; F454-L627 HydrophobicContact CD2-CD1 4.49Å; F454-L627 HydrophobicContact CE1-CB 4.43Å; F454-L627 HydrophobicContact CE2-CB 4.11Å; F454-L627 HydrophobicContact CE2-CD1 3.74Å; F454-L627 HydrophobicContact CZ-CB 3.61Å; F454-L627 HydrophobicContact CZ-CD1 4.11Å; L468-L627 HydrophobicContact CD2-CB 4.35Å; L468-L627 HydrophobicContact CD2-CD2 4.4Å; F470-L627 HydrophobicContact CE1-CD1 4.3Å; V502-L627 HydrophobicContact CG2-CD2 4.29Å; A623-L627 VanDerWaalsContact O-CG 3.31Å; A623-L627 WeakPolarHBondContact O-CG 3.36Å; A623-L627 PolarHBondContact O-N 3.01Å; G624-L627 WeakPolarHBondContact O-CB 3.23Å; G624-L627 PolarHBondContact O-N 2.9Å; L627-S631 VanDerWaalsContact O-CB 3.23Å; L627-S631 WeakPolarHBondContact O-CB 3.35Å; L627-S631 PolarHBondContact O-N 3.29Å; L627-S631 PolarHBondContact O-OG 3.47Å
628	I	97.9	Very high	96.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.1	-51.3	175.8	-63.1	162.7	0	0	0	109.4	W134 L137 F141 F454 M457 G624 Q625 L626 L630 S631 H632	W134-I628 HydrophobicContact CE3-CG2 3.93Å; W134-I628 HydrophobicContact CZ3-CB 3.79Å; W134-I628 HydrophobicContact CZ3-CG2 3.49Å; W134-I628 VanDerWaalsContact CZ3-CG2 3.49Å; L137-I628 HydrophobicContact CB-CG2 4.08Å; L137-I628 HydrophobicContact CD1-CG2 4.07Å; F141-I628 HydrophobicContact CB-CD1 3.6Å; F141-I628 HydrophobicContact CD1-CD1 4.32Å; F141-I628 HydrophobicContact CD2-CD1 3.96Å; F141-I628 HydrophobicContact CG-CD1 3.69Å; F454-I628 HydrophobicContact CE1-CG1 3.73Å; F454-I628 HydrophobicContact CZ-CG1 3.78Å; M457-I628 HydrophobicContact CE-CD1 4.02Å; M457-I628 HydrophobicContact CE-CG1 4.4Å; G624-I628 VanDerWaalsContact O-CG1 3.31Å; G624-I628 WeakPolarHBondContact O-CG1 3.39Å; G624-I628 PolarHBondContact O-N 3.01Å; Q625-I628 PolarHBondContact O-N 2.87Å; L626-I628 VanDerWaalsContact C-N 3.34Å; L626-I628 PolarHBondContact O-N 3.26Å; I628-L630 VanDerWaalsContact C-N 3.31Å; I628-L630 PolarHBondContact O-N 3.19Å; I628-S631 PolarHBondContact O-N 3.33Å; I628-S631 PolarHBondContact O-OG 3.32Å; I628-H632 HydrophobicContact CG2-CB 4.25Å; I628-H632 WeakPolarHBondContact O-CB 3.45Å; I628-H632 PolarHBondContact O-N 3.16Å
629	R	97.1	Very high	96.4	Very high	59 Å²	59	19.9 Å²	19.9	22%	0.223	9%	0.092	C	C	.	.	H	α-helix	trans	-56	-45.1	179.3	-63.7	-69.5	-76.2	151.4	3.3	111.8	W134 L525 Q625 L626 D633 P637	W134-R629 VanDerWaalsContact CE3-CD 3.41Å; W134-R629 HydrophobicContact CE3-CG 4.23Å; W134-R629 VanDerWaalsContact CH2-CD 3.46Å; W134-R629 HydrophobicContact CH2-CG 3.56Å; W134-R629 HydrophobicContact CZ2-CG 4.36Å; W134-R629 HydrophobicContact CZ3-CG 3.48Å; W134-R629 VanDerWaalsContact CZ3-CG 3.48Å; L525-R629 HydrophobicContact CD1-CB 3.82Å; L525-R629 HydrophobicContact CD1-CG 4.01Å; Q625-R629 WeakPolarHBondContact O-CG 3.27Å; Q625-R629 PolarHBondContact O-N 3.42Å; L626-R629 PolarHBondContact O-N 2.85Å; R629-D633 IonicContact CZ-OD2 3.78Å; R629-D633 IonicContact NE-OD2 2.75Å; R629-D633 IonicContact NH1-OD1 3.11Å; R629-D633 PolarHBondContact NH1-OD1 3.21Å; R629-D633 IonicContact NH1-OD2 2.68Å; R629-D633 PolarHBondContact NH1-OD2 2.73Å; R629-D633 IonicContact NH2-OD2 2.91Å; R629-D633 PolarHBondContact NH2-OD2 3.25Å; R629-D633 VanDerWaalsContact O-CB 3.26Å; R629-D633 WeakPolarHBondContact O-CB 3.31Å; R629-D633 PolarHBondContact O-N 3.34Å; R629-P637 HydrophobicContact CB-CG 4.43Å
630	L	97.5	Very high	96.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-73.2	-28.1	-178.2	-68.7	173.2	0	0	0	114	V424 R466 V500 L525 L626 I628 P637 L638	V424-L630 HydrophobicContact CG1-CB 3.94Å; V424-L630 HydrophobicContact CG1-CD1 3.82Å; V424-L630 HydrophobicContact CG2-CB 3.73Å; R466-L630 PolarHBondContact NH1-O 3.03Å; V500-L630 HydrophobicContact CB-CD1 3.82Å; V500-L630 HydrophobicContact CG1-CD1 3.87Å; V500-L630 HydrophobicContact CG2-CD1 3.9Å; V500-L630 HydrophobicContact CG2-CD2 4.09Å; L525-L630 HydrophobicContact CD2-CD1 4.35Å; L525-L630 HydrophobicContact CD2-CD2 3.78Å; L525-L630 HydrophobicContact CD2-CG 3.92Å; L626-L630 HydrophobicContact CD2-CD1 3.35Å; L626-L630 HydrophobicContact CD2-CG 4.34Å; L626-L630 HydrophobicContact CG-CD1 3.96Å; L626-L630 WeakPolarHBondContact O-CB 3.38Å; L626-L630 VanDerWaalsContact O-CG 3.31Å; L626-L630 WeakPolarHBondContact O-CG 3.2Å; L626-L630 PolarHBondContact O-N 3.43Å; I628-L630 VanDerWaalsContact C-N 3.31Å; I628-L630 PolarHBondContact O-N 3.19Å; L630-P637 HydrophobicContact CD2-CG 4.19Å; L630-L638 HydrophobicContact CD2-CD2 4.3Å
631	S	96.9	Very high	96.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-97.1	-22.8	-178.8	63.9	0	0	0	0	113.9	R465 R466 L627 I628	R465-S631 WeakPolarHBondContact CA-O 3.47Å; R465-S631 WeakPolarHBondContact CB-O 3.48Å; R465-S631 PolarHBondContact N-O 3.34Å; R466-S631 PolarHBondContact N-O 3.44Å; L627-S631 VanDerWaalsContact O-CB 3.23Å; L627-S631 WeakPolarHBondContact O-CB 3.35Å; L627-S631 PolarHBondContact O-N 3.29Å; L627-S631 PolarHBondContact O-OG 3.47Å; I628-S631 PolarHBondContact O-N 3.33Å; I628-S631 PolarHBondContact O-OG 3.32Å
632	H	95	Very high	96	Very high	54 Å²	54	23.2 Å²	23.2	25%	0.25	11%	0.109	C	C	.	.	H	α-helix	trans	-94.4	-46	-178.4	172.9	-95.6	0	0	0	112.7	L137 F462 I628	L137-H632 HydrophobicContact CD1-CB 4.24Å; L137-H632 WeakPolarHBondContact CD1-CD2 3.28Å; F462-H632 HydrophobicContact CE2-CB 4.3Å; I628-H632 HydrophobicContact CG2-CB 4.25Å; I628-H632 WeakPolarHBondContact O-CB 3.45Å; I628-H632 PolarHBondContact O-N 3.16Å
633	D	93.9	Very high	95.8	Very high	25 Å²	25	23.2 Å²	23.2	13%	0.134	11%	0.108	C	C	.	.			trans	-68.2	138	-168.9	-68.3	-0.8	0	0	0	111.7	R466 R629	R466-D633 PolarHBondContact NH1-O 3.22Å; R466-D633 PolarHBondContact NH2-O 3.11Å; R629-D633 IonicContact CZ-OD2 3.78Å; R629-D633 IonicContact NE-OD2 2.75Å; R629-D633 IonicContact NH1-OD1 3.11Å; R629-D633 PolarHBondContact NH1-OD1 3.21Å; R629-D633 IonicContact NH1-OD2 2.68Å; R629-D633 PolarHBondContact NH1-OD2 2.73Å; R629-D633 IonicContact NH2-OD2 2.91Å; R629-D633 PolarHBondContact NH2-OD2 3.25Å; R629-D633 VanDerWaalsContact O-CB 3.26Å; R629-D633 WeakPolarHBondContact O-CB 3.31Å; R629-D633 PolarHBondContact O-N 3.34Å
634	R	93	Very high	95.5	Very high	109 Å²	109	23.2 Å²	23.2	41%	0.411	11%	0.109	S	C	.	.	S	Bend	trans	-61.5	-51.8	-179.5	-69.4	-176	178.3	179.1	2.7	111.4	R466 E694 T700 N704	R466-R634 PolarHBondContact NH2-O 2.94Å; R634-E694 PolarHBondContact NH1-O 3.42Å; R634-T700 HydrophobicContact CB-CG2 4.16Å; R634-T700 VanDerWaalsContact O-CG2 3.29Å; R634-T700 WeakPolarHBondContact O-CG2 3.27Å; R634-N704 PolarHBondContact O-ND2 2.97Å
635	L	94.2	Very high	95.2	Very high	56 Å²	56	27.2 Å²	27.2	29%	0.293	13%	0.13	S	C	.	.	S	Bend	trans	-89.4	136.4	172.1	-172.5	73	0	0	0	109.8	P637 I689 N704 I707	L635-P637 WeakPolarHBondContact O-CD 3.2Å; L635-I689 HydrophobicContact CD1-CD1 4.12Å; L635-I689 HydrophobicContact CD1-CG1 4.43Å; L635-I689 HydrophobicContact CD1-CG2 4.35Å; L635-I689 HydrophobicContact CD2-CD1 4.4Å; L635-I689 HydrophobicContact CD2-CG2 3.64Å; L635-N704 WeakPolarHBondContact CA-OD1 3.45Å; L635-I707 HydrophobicContact CD1-CD1 3.9Å; L635-I707 HydrophobicContact CG-CD1 4.41Å
636	L	95.5	Very high	94.9	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.016	14%	0.137	C	C	.	.			trans	-65.8	122.5	174.6	-73.6	173.6	0	0	0	111.1	V499 L638 N704 I707 M708	V499-L636 HydrophobicContact CG1-CD1 3.93Å; V499-L636 HydrophobicContact CG1-CD2 3.35Å; V499-L636 HydrophobicContact CG1-CG 4.29Å; V499-L636 HydrophobicContact CG2-CD2 4.47Å; L636-L638 HydrophobicContact CB-CG 4.38Å; L636-L638 PolarHBondContact O-N 2.63Å; L636-N704 HydrophobicContact CD1-CB 3.89Å; L636-N704 HydrophobicContact CG-CB 4.19Å; L636-N704 PolarHBondContact N-OD1 2.89Å; L636-I707 HydrophobicContact CB-CG2 4.26Å; L636-M708 HydrophobicContact CD1-CG 3.47Å; L636-M708 VanDerWaalsContact CD1-CG 3.47Å; L636-M708 HydrophobicContact CD1-SD 3.89Å
637	P	95.8	Very high	94.6	Very high	34 Å²	34	28.5 Å²	28.5	22%	0.221	14%	0.138	C	C	.	.			trans	-79.4	51.9	-179.7	33.9	-36.8	0	0	0	112	L525 R629 L630 L635	L525-P637 HydrophobicContact CD1-CB 4.21Å; L525-P637 HydrophobicContact CD1-CG 3.94Å; L525-P637 HydrophobicContact CD2-CG 4.11Å; R629-P637 HydrophobicContact CB-CG 4.43Å; L630-P637 HydrophobicContact CD2-CG 4.19Å; L635-P637 WeakPolarHBondContact O-CD 3.2Å
638	L	96.5	Very high	94.3	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.037	16%	0.158	C	C	.	.			trans	-106.1	130	178	-59.9	179.4	0	0	0	110.5	V500 L521 L522 P578 L630 L636 F640 I707	V500-L638 HydrophobicContact CG2-CD1 4.28Å; V500-L638 HydrophobicContact CG2-CD2 3.93Å; L521-L638 HydrophobicContact CB-CB 4.41Å; L522-L638 HydrophobicContact CD2-CD2 3.49Å; L522-L638 VanDerWaalsContact CD2-CD2 3.49Å; L522-L638 HydrophobicContact CG-CD2 4.15Å; P578-L638 HydrophobicContact CG-CD1 4.29Å; L630-L638 HydrophobicContact CD2-CD2 4.3Å; L636-L638 HydrophobicContact CB-CG 4.38Å; L636-L638 PolarHBondContact O-N 2.63Å; L638-F640 WeakPolarHBondContact O-CD1 3.49Å; L638-F640 PolarHBondContact O-N 2.9Å; L638-F640 VanDerWaalsContact O-N 3.13Å; L638-I707 HydrophobicContact CB-CG2 3.64Å; L638-I707 HydrophobicContact CD1-CG2 3.98Å; L638-I707 HydrophobicContact CG-CG2 4.27Å
639	D	95.1	Very high	93.9	Very high	35 Å²	35	40.6 Å²	40.6	19%	0.187	19%	0.189	C	C	.	.			trans	-90.6	77.5	-173.7	-166.8	-8.7	0	0	0	111.8	L521 S524 G641 R642 R686	L521-D639 WeakPolarHBondContact CD2-O 3.34Å; L521-D639 PolarHBondContact O-N 2.73Å; S524-D639 PolarHBondContact OG-OD2 2.83Å; D639-G641 PolarHBondContact O-N 3.45Å; D639-G641 VanDerWaalsContact O-N 3.14Å; D639-G641 PolarHBondContact OD1-N 2.97Å; D639-R642 HydrophobicContact CB-CG 3.82Å; D639-R642 WeakPolarHBondContact O-CB 3.32Å; D639-R642 PolarHBondContact O-N 3.33Å; D639-R642 WeakPolarHBondContact OD2-CG 3.19Å; D639-R642 IonicContact OD2-NE 3.82Å; D639-R642 PolarHBondContact OD2-NE 3.21Å; D639-R642 VanDerWaalsContact OD2-NE 3.08Å; D639-R686 IonicContact OD1-NH2 2.62Å
640	F	94.4	Very high	93.4	Very high	15 Å²	15	40.3 Å²	40.3	7%	0.066	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.7	178.6	54.9	-95.5	0	0	0	113.9	L521 L638 R642 Y678 A682 L685 R686 I689 I707 V710 L787	L521-F640 VanDerWaalsContact CD2-CA 3.48Å; L521-F640 HydrophobicContact CD2-CB 4.29Å; L638-F640 WeakPolarHBondContact O-CD1 3.49Å; L638-F640 PolarHBondContact O-N 2.9Å; L638-F640 VanDerWaalsContact O-N 3.13Å; F640-R642 VanDerWaalsContact C-N 3.35Å; F640-Y678 PolarHBondContact O-OH 3.11Å; F640-A682 HydrophobicContact CD2-CB 3.87Å; F640-A682 HydrophobicContact CE2-CB 4.08Å; F640-A682 VanDerWaalsContact CE2-O 3.31Å; F640-A682 WeakPolarHBondContact CE2-O 3.41Å; F640-L685 HydrophobicContact CD1-CD2 4.4Å; F640-L685 HydrophobicContact CD2-CD2 4.33Å; F640-L685 HydrophobicContact CE1-CD2 4.06Å; F640-L685 HydrophobicContact CE1-CG 4.43Å; F640-L685 HydrophobicContact CE2-CB 4.24Å; F640-L685 HydrophobicContact CE2-CD2 4.02Å; F640-L685 HydrophobicContact CE2-CG 4.21Å; F640-L685 HydrophobicContact CZ-CB 4.33Å; F640-L685 HydrophobicContact CZ-CD2 3.86Å; F640-L685 HydrophobicContact CZ-CG 3.89Å; F640-R686 HydrophobicContact CZ-CB 4.29Å; F640-I689 HydrophobicContact CE1-CD1 4.29Å; F640-I689 HydrophobicContact CZ-CD1 4.31Å; F640-I707 HydrophobicContact CD1-CD1 4.27Å; F640-I707 HydrophobicContact CD1-CG1 3.77Å; F640-I707 HydrophobicContact CD1-CG2 4.4Å; F640-I707 HydrophobicContact CE1-CD1 4.1Å; F640-I707 HydrophobicContact CE1-CG1 3.95Å; F640-V710 HydrophobicContact CB-CG1 4.38Å; F640-V710 HydrophobicContact CB-CG2 3.84Å; F640-L787 HydrophobicContact CD2-CD1 4.48Å; F640-L787 HydrophobicContact CD2-CD2 4.34Å
641	G	94.1	Very high	92.9	Very high	15 Å²	15	40.4 Å²	40.4	16%	0.155	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-29.7	176.8	0	0	0	0	0	113.6	D639 Y643 G644	D639-G641 PolarHBondContact O-N 3.45Å; D639-G641 VanDerWaalsContact O-N 3.14Å; D639-G641 PolarHBondContact OD1-N 2.97Å; G641-Y643 PolarHBondContact O-N 2.89Å; G641-Y643 VanDerWaalsContact O-N 3.13Å; G641-G644 PolarHBondContact O-N 3.27Å
642	R	92.6	Very high	92.5	Very high	73 Å²	73	42 Å²	42	28%	0.275	21%	0.208	S	C	.	.	H	α-helix	trans	-57.9	-30.7	-175.2	-72.4	-74.5	-175.5	157.7	9.7	113.8	P520 S524 D639 F640 G644 D645 V646	P520-R642 HydrophobicContact CB-CB 4.19Å; S524-R642 PolarHBondContact OG-NH2 2.88Å; D639-R642 HydrophobicContact CB-CG 3.82Å; D639-R642 WeakPolarHBondContact O-CB 3.32Å; D639-R642 PolarHBondContact O-N 3.33Å; D639-R642 WeakPolarHBondContact OD2-CG 3.19Å; D639-R642 IonicContact OD2-NE 3.82Å; D639-R642 PolarHBondContact OD2-NE 3.21Å; D639-R642 VanDerWaalsContact OD2-NE 3.08Å; F640-R642 VanDerWaalsContact C-N 3.35Å; R642-G644 PolarHBondContact O-N 3.39Å; R642-D645 WeakPolarHBondContact O-CB 3.33Å; R642-D645 PolarHBondContact O-N 2.99Å; R642-V646 WeakPolarHBondContact O-CG2 3.12Å; R642-V646 PolarHBondContact O-N 3.37Å
643	Y	93.3	Very high	92.2	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-28.6	176.6	-92.8	-61.3	0	0	0	112.8	P520 L521 G641 D645 V646 V647 Y678 V710 E711 F714 H728 F730	P520-Y643 HydrophobicContact CG-CD1 4.43Å; P520-Y643 HydrophobicContact CG-CE1 3.91Å; L521-Y643 HydrophobicContact CD1-CE2 4.32Å; L521-Y643 HydrophobicContact CD2-CD2 3.71Å; L521-Y643 HydrophobicContact CD2-CE2 3.85Å; L521-Y643 HydrophobicContact CG-CD2 4.17Å; L521-Y643 HydrophobicContact CG-CE2 3.76Å; G641-Y643 PolarHBondContact O-N 2.89Å; G641-Y643 VanDerWaalsContact O-N 3.13Å; Y643-D645 VanDerWaalsContact C-N 3.29Å; Y643-D645 PolarHBondContact O-N 3.28Å; Y643-V646 HydrophobicContact CD1-CB 4.37Å; Y643-V646 PolarHBondContact O-N 2.89Å; Y643-V647 WeakPolarHBondContact O-CG2 3.17Å; Y643-V647 PolarHBondContact O-N 3.17Å; Y643-Y678 WeakPolarHBondContact CB-OH 3.46Å; Y643-V710 HydrophobicContact CD2-CG1 3.84Å; Y643-V710 HydrophobicContact CE2-CG1 4.26Å; Y643-E711 VanDerWaalsContact OH-CD 3.28Å; Y643-E711 PolarHBondContact OH-OE1 3.32Å; Y643-E711 PolarHBondContact OH-OE2 2.98Å; Y643-F714 HydrophobicContact CD1-CD2 4.1Å; Y643-F714 AromaticContact CD1-CE2 3.7Å; Y643-F714 HydrophobicContact CD1-CE2 3.7Å; Y643-F714 AromaticContact CD1-CZ 3.95Å; Y643-F714 HydrophobicContact CD1-CZ 3.95Å; Y643-F714 AromaticContact CD2-CD2 3.83Å; Y643-F714 HydrophobicContact CD2-CD2 3.83Å; Y643-F714 AromaticContact CD2-CE2 3.31Å; Y643-F714 HydrophobicContact CD2-CE2 3.31Å; Y643-F714 HydrophobicContact CD2-CZ 4.17Å; Y643-F714 HydrophobicContact CE1-CD2 4.05Å; Y643-F714 HydrophobicContact CE1-CE2 4.13Å; Y643-F714 AromaticContact CE2-CD2 3.73Å; Y643-F714 HydrophobicContact CE2-CD2 3.73Å; Y643-F714 AromaticContact CE2-CE2 3.74Å; Y643-F714 HydrophobicContact CE2-CE2 3.74Å; Y643-F714 HydrophobicContact CG-CD2 4.01Å; Y643-F714 AromaticContact CG-CE2 3.28Å; Y643-F714 HydrophobicContact CG-CE2 3.28Å; Y643-F714 AromaticContact CG-CZ 3.69Å; Y643-F714 HydrophobicContact CG-CZ 3.69Å; Y643-F714 AromaticContact CZ-CD2 3.87Å; Y643-H728 PolarHBondContact OH-CE1 3.18Å; Y643-H728 PolarHBondContact OH-NE2 2.81Å; Y643-F730 HydrophobicContact CD1-CD2 4.06Å; Y643-F730 AromaticContact CD1-CE2 3.55Å; Y643-F730 HydrophobicContact CD1-CE2 3.55Å; Y643-F730 HydrophobicContact CD1-CZ 4.2Å; Y643-F730 AromaticContact CE1-CD2 3.55Å; Y643-F730 HydrophobicContact CE1-CD2 3.55Å; Y643-F730 AromaticContact CE1-CE2 3.52Å; Y643-F730 HydrophobicContact CE1-CE2 3.52Å
644	G	92.3	Very high	91.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-34.4	172.9	0	0	0	0	0	113.5	G641 R642 L648 R675	G641-G644 PolarHBondContact O-N 3.27Å; R642-G644 PolarHBondContact O-N 3.39Å; G644-L648 PolarHBondContact O-N 3.41Å; G644-L648 VanDerWaalsContact O-N 3.16Å; G644-R675 PolarHBondContact O-NE 3Å; G644-R675 PolarHBondContact O-NH2 2.86Å
645	D	90.8	Very high	91.6	Very high	84 Å²	84	38.9 Å²	38.9	45%	0.449	20%	0.201	S	C	.	.	H	α-helix	trans	-78.1	-39.6	176.9	-61.1	-32.3	0	0	0	111.5	R642 Y643 V647 L648 R649	R642-D645 WeakPolarHBondContact O-CB 3.33Å; R642-D645 PolarHBondContact O-N 2.99Å; Y643-D645 VanDerWaalsContact C-N 3.29Å; Y643-D645 PolarHBondContact O-N 3.28Å; D645-V647 PolarHBondContact O-N 3.43Å; D645-L648 WeakPolarHBondContact O-CB 3.31Å; D645-L648 PolarHBondContact O-N 3.22Å; D645-L648 VanDerWaalsContact O-N 3.17Å; D645-R649 PolarHBondContact O-N 3.34Å
646	V	91	Very high	91.4	Very high	24 Å²	24	41.9 Å²	41.9	15%	0.145	21%	0.214	C	C	.	.	H	α-helix	trans	-58.4	-49.3	174	173.7	0	0	0	0	110.2	P520 R642 Y643 L648 R649 H650 F730	P520-V646 HydrophobicContact CB-CG2 3.96Å; P520-V646 HydrophobicContact CG-CG2 3.74Å; R642-V646 WeakPolarHBondContact O-CG2 3.12Å; R642-V646 PolarHBondContact O-N 3.37Å; Y643-V646 HydrophobicContact CD1-CB 4.37Å; Y643-V646 PolarHBondContact O-N 2.89Å; V646-L648 VanDerWaalsContact C-N 3.3Å; V646-L648 PolarHBondContact O-N 2.75Å; V646-R649 PolarHBondContact O-N 2.83Å; V646-H650 PolarHBondContact O-CD2 2.86Å; V646-H650 PolarHBondContact O-N 2.87Å; V646-F730 HydrophobicContact CG1-CD1 4.01Å; V646-F730 HydrophobicContact CG1-CE1 4.06Å; V646-F730 HydrophobicContact CG1-CG 4.41Å; V646-F730 HydrophobicContact CG1-CZ 4.48Å
647	V	91.1	Very high	91.2	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-41.9	175.8	179.3	0	0	0	0	110.9	Y643 D645 R649 H650 I651 R675 F730 L780	Y643-V647 WeakPolarHBondContact O-CG2 3.17Å; Y643-V647 PolarHBondContact O-N 3.17Å; D645-V647 PolarHBondContact O-N 3.43Å; V647-R649 PolarHBondContact O-N 3.48Å; V647-H650 PolarHBondContact O-N 3.48Å; V647-I651 HydrophobicContact CG1-CD1 3.7Å; V647-I651 HydrophobicContact CG1-CG1 4.19Å; V647-I651 VanDerWaalsContact O-CG1 3.32Å; V647-I651 WeakPolarHBondContact O-CG1 3.5Å; V647-I651 PolarHBondContact O-N 3.02Å; V647-R675 HydrophobicContact CB-CG 4.2Å; V647-R675 HydrophobicContact CG1-CB 3.91Å; V647-R675 HydrophobicContact CG1-CG 3.79Å; V647-F730 HydrophobicContact CG2-CE1 3.96Å; V647-F730 HydrophobicContact CG2-CZ 3.51Å; V647-L780 HydrophobicContact CG1-CD2 3.85Å; V647-L780 HydrophobicContact CG2-CD1 3.87Å
648	L	91.7	Very high	90.8	Very high	81 Å²	81	43.8 Å²	43.8	42%	0.424	23%	0.226	S	C	.	.	H	α-helix	trans	-59.5	-47.9	179	-175.3	58.2	0	0	0	112	G644 D645 V646 H650 I651 G652	G644-L648 PolarHBondContact O-N 3.41Å; G644-L648 VanDerWaalsContact O-N 3.16Å; D645-L648 WeakPolarHBondContact O-CB 3.31Å; D645-L648 PolarHBondContact O-N 3.22Å; D645-L648 VanDerWaalsContact O-N 3.17Å; V646-L648 VanDerWaalsContact C-N 3.3Å; V646-L648 PolarHBondContact O-N 2.75Å; L648-H650 VanDerWaalsContact C-N 3.26Å; L648-H650 PolarHBondContact O-N 3.21Å; L648-I651 PolarHBondContact O-N 3.38Å; L648-G652 PolarHBondContact O-N 2.94Å
649	R	89.3	Confident	90.4	Very high	172 Å²	172	45.8 Å²	45.8	65%	0.649	25%	0.249	S	C	*	.	H	α-helix	trans	-58.9	-42	-178.6	-163.3	-176.3	-70.3	154.8	-6.9	110.6	D645 V646 V647 G652	D645-R649 PolarHBondContact O-N 3.34Å; V646-R649 PolarHBondContact O-N 2.83Å; V647-R649 PolarHBondContact O-N 3.48Å; R649-G652 PolarHBondContact O-N 2.98Å
650	H	87.9	Confident	90.1	Very high	54 Å²	54	46.8 Å²	46.8	25%	0.25	25%	0.254	C	S	.	.	H	α-helix	trans	-69.9	-40.2	176.7	-76.2	-59.7	0	0	0	114	V646 V647 L648 G652 N653 L654 F730 L738	V646-H650 PolarHBondContact O-CD2 2.86Å; V646-H650 PolarHBondContact O-N 2.87Å; V647-H650 PolarHBondContact O-N 3.48Å; L648-H650 VanDerWaalsContact C-N 3.26Å; L648-H650 PolarHBondContact O-N 3.21Å; H650-G652 PolarHBondContact O-N 2.65Å; H650-N653 WeakPolarHBondContact O-CB 3.49Å; H650-N653 PolarHBondContact O-N 2.97Å; H650-L654 PolarHBondContact O-N 3.1Å; H650-F730 AromaticContact CD2-CD1 3.84Å; H650-L738 HydrophobicContact CB-CD1 3.52Å; H650-L738 HydrophobicContact CB-CD2 3.51Å; H650-L738 HydrophobicContact CB-CG 4.17Å; H650-L738 VanDerWaalsContact CG-CD2 3.44Å; H650-L738 VanDerWaalsContact ND1-CD2 3.31Å; H650-L738 WeakPolarHBondContact ND1-CD2 3.5Å
651	I	86.9	Confident	89.9	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-34.6	172.3	-69.5	172.3	0	0	0	110.9	V647 L648 N653 L654 N655 V671 Y672 R675	V647-I651 HydrophobicContact CG1-CD1 3.7Å; V647-I651 HydrophobicContact CG1-CG1 4.19Å; V647-I651 VanDerWaalsContact O-CG1 3.32Å; V647-I651 WeakPolarHBondContact O-CG1 3.5Å; V647-I651 PolarHBondContact O-N 3.02Å; L648-I651 PolarHBondContact O-N 3.38Å; I651-N653 VanDerWaalsContact C-N 3.27Å; I651-N653 PolarHBondContact O-N 3.5Å; I651-L654 WeakPolarHBondContact O-CB 3.29Å; I651-L654 PolarHBondContact O-N 3.17Å; I651-N655 VanDerWaalsContact O-CG 3.29Å; I651-N655 PolarHBondContact O-N 3.43Å; I651-N655 PolarHBondContact O-ND2 2.91Å; I651-V671 HydrophobicContact CD1-CG1 3.72Å; I651-V671 HydrophobicContact CG1-CG1 3.88Å; I651-Y672 HydrophobicContact CD1-CD1 4.46Å; I651-Y672 HydrophobicContact CG2-CD1 4.26Å; I651-Y672 HydrophobicContact CG2-CE1 3.53Å; I651-Y672 HydrophobicContact CG2-CE2 4.23Å; I651-R675 HydrophobicContact CD1-CB 4.26Å
652	G	88.6	Confident	89.7	Confident	35 Å²	35	53.7 Å²	53.7	36%	0.361	28%	0.28	S	S	.	.	H	α-helix	trans	-50.6	-46.8	172.2	0	0	0	0	0	112.5	L648 R649 H650 N655	L648-G652 PolarHBondContact O-N 2.94Å; R649-G652 PolarHBondContact O-N 2.98Å; H650-G652 PolarHBondContact O-N 2.65Å; G652-N655 WeakPolarHBondContact O-CB 3.43Å; G652-N655 PolarHBondContact O-N 2.92Å
653	N	88.9	Confident	89.5	Confident	69 Å²	69	54.6 Å²	54.6	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-67.8	-35	177.1	-59.5	-14.7	0	0	0	112.5	H650 I651 N655 E656 L742	H650-N653 WeakPolarHBondContact O-CB 3.49Å; H650-N653 PolarHBondContact O-N 2.97Å; I651-N653 VanDerWaalsContact C-N 3.27Å; I651-N653 PolarHBondContact O-N 3.5Å; N653-N655 VanDerWaalsContact C-N 3.29Å; N653-N655 PolarHBondContact O-N 2.99Å; N653-E656 WeakPolarHBondContact O-CB 3.46Å; N653-E656 PolarHBondContact O-N 3.35Å; N653-L742 HydrophobicContact CB-CD1 4.33Å; N653-L742 HydrophobicContact CB-CD2 3.83Å
654	L	86.5	Confident	89.3	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-32.6	175.6	-64.5	172.8	0	0	0	111.9	H650 I651 E656 F657 L668 L741 L742 L745	H650-L654 PolarHBondContact O-N 3.1Å; I651-L654 WeakPolarHBondContact O-CB 3.29Å; I651-L654 PolarHBondContact O-N 3.17Å; L654-E656 PolarHBondContact O-N 3.5Å; L654-F657 PolarHBondContact O-N 3.08Å; L654-L668 HydrophobicContact CB-CD1 3.66Å; L654-L741 HydrophobicContact CD1-CD2 4.24Å; L654-L741 HydrophobicContact CD2-CD2 4.06Å; L654-L741 HydrophobicContact CD2-CG 4.37Å; L654-L742 HydrophobicContact CD2-CD2 3.41Å; L654-L742 VanDerWaalsContact CD2-CD2 3.41Å; L654-L742 HydrophobicContact CD2-CG 3.89Å; L654-L742 HydrophobicContact CG-CD2 3.93Å; L654-L745 HydrophobicContact CD2-CD1 3.4Å; L654-L745 VanDerWaalsContact CD2-CD1 3.4Å
655	N	87.9	Confident	89.1	Confident	53 Å²	53	63 Å²	63	28%	0.283	35%	0.354	S	S	.	.	H	α-helix	trans	-67.3	-22.7	-178.3	-71.5	-29.2	0	0	0	114.1	I651 G652 N653 F657 S658 Y672	I651-N655 VanDerWaalsContact O-CG 3.29Å; I651-N655 PolarHBondContact O-N 3.43Å; I651-N655 PolarHBondContact O-ND2 2.91Å; G652-N655 WeakPolarHBondContact O-CB 3.43Å; G652-N655 PolarHBondContact O-N 2.92Å; N653-N655 VanDerWaalsContact C-N 3.29Å; N653-N655 PolarHBondContact O-N 2.99Å; N655-F657 PolarHBondContact O-N 3.16Å; N655-F657 VanDerWaalsContact O-N 3.17Å; N655-S658 WeakPolarHBondContact O-CB 3.5Å; N655-S658 PolarHBondContact O-N 2.7Å; N655-S658 PolarHBondContact O-OG 2.96Å; N655-Y672 PolarHBondContact ND2-OH 2.91Å; N655-Y672 PolarHBondContact OD1-OH 2.78Å
656	E	90.3	Very high	89	Confident	119 Å²	119	59.6 Å²	59.6	56%	0.556	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-33	170.8	-62.2	-175.1	179.5	0	0	110.9	N653 L654 R749	N653-E656 WeakPolarHBondContact O-CB 3.46Å; N653-E656 PolarHBondContact O-N 3.35Å; L654-E656 PolarHBondContact O-N 3.5Å; E656-R749 PolarHBondContact O-NH2 3.41Å
657	F	89.9	Confident	88.8	Confident	11 Å²	11	61.2 Å²	61.2	5%	0.048	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	8.6	-179.4	-58.2	-91.3	0	0	0	113.9	L654 N655 G659 D660 L661 L745 R746 R749	L654-F657 PolarHBondContact O-N 3.08Å; N655-F657 PolarHBondContact O-N 3.16Å; N655-F657 VanDerWaalsContact O-N 3.17Å; F657-G659 VanDerWaalsContact C-N 3.31Å; F657-G659 PolarHBondContact O-N 3.02Å; F657-D660 WeakPolarHBondContact O-CB 3.29Å; F657-D660 PolarHBondContact O-N 2.98Å; F657-D660 VanDerWaalsContact O-N 3.11Å; F657-L661 WeakPolarHBondContact O-CG 3.31Å; F657-L661 PolarHBondContact O-N 2.85Å; F657-L745 HydrophobicContact CB-CD1 4.37Å; F657-L745 HydrophobicContact CB-CD2 4.38Å; F657-L745 HydrophobicContact CD1-CB 4.12Å; F657-L745 HydrophobicContact CD2-CB 4.16Å; F657-L745 HydrophobicContact CD2-CD1 4.31Å; F657-L745 HydrophobicContact CE1-CB 4.29Å; F657-L745 WeakPolarHBondContact CE1-O 3.23Å; F657-L745 HydrophobicContact CE2-CB 4.36Å; F657-L745 HydrophobicContact CG-CB 4.04Å; F657-L745 HydrophobicContact CG-CD1 4.41Å; F657-L745 HydrophobicContact CZ-CB 4.42Å; F657-R746 HydrophobicContact CZ-CG 3.99Å; F657-R749 HydrophobicContact CD1-CG 4.47Å; F657-R749 HydrophobicContact CE1-CG 4Å
658	S	87.5	Confident	88.7	Confident	65 Å²	65	61.6 Å²	61.6	46%	0.455	35%	0.348	S	S	.	.	H	α-helix	trans	-58.2	-38.7	-175.9	57.4	0	0	0	0	113.5	N655 L661 K662	N655-S658 WeakPolarHBondContact O-CB 3.5Å; N655-S658 PolarHBondContact O-N 2.7Å; N655-S658 PolarHBondContact O-OG 2.96Å; S658-L661 PolarHBondContact O-N 3.23Å; S658-K662 WeakPolarHBondContact O-CB 3.41Å; S658-K662 PolarHBondContact O-N 2.94Å
659	G	88.3	Confident	88.6	Confident	49 Å²	49	62.6 Å²	62.6	51%	0.505	35%	0.35	S	S	.	.	H	α-helix	trans	-63.3	-44.8	174.8	0	0	0	0	0	112.6	F657 L661 K662 A663	F657-G659 VanDerWaalsContact C-N 3.31Å; F657-G659 PolarHBondContact O-N 3.02Å; G659-L661 VanDerWaalsContact C-N 3.33Å; G659-L661 PolarHBondContact O-N 2.89Å; G659-K662 PolarHBondContact O-N 2.97Å; G659-A663 PolarHBondContact O-N 3.13Å
660	D	89.4	Confident	88.6	Confident	56 Å²	56	61.1 Å²	61.1	30%	0.299	35%	0.345	S	S	.	.	H	α-helix	trans	-63.3	-40.4	178.7	-58.8	-54.7	0	0	0	111.4	F657 L748 R749	F657-D660 WeakPolarHBondContact O-CB 3.29Å; F657-D660 PolarHBondContact O-N 2.98Å; F657-D660 VanDerWaalsContact O-N 3.11Å; D660-L748 HydrophobicContact CB-CD1 4.01Å; D660-R749 IonicContact OD2-CZ 3.37Å; D660-R749 IonicContact OD2-NE 3.05Å; D660-R749 PolarHBondContact OD2-NE 2.83Å; D660-R749 IonicContact OD2-NH2 3.37Å; D660-R749 PolarHBondContact OD2-NH2 3.36Å
661	L	89.3	Confident	88.7	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.016	33%	0.334	C	S	.	.	H	α-helix	trans	-67	-45.2	175.8	-71.2	174.7	0	0	0	112.1	F657 S658 G659 A663 R664 G665 L666 L668 L745 F769	F657-L661 WeakPolarHBondContact O-CG 3.31Å; F657-L661 PolarHBondContact O-N 2.85Å; S658-L661 PolarHBondContact O-N 3.23Å; G659-L661 VanDerWaalsContact C-N 3.33Å; G659-L661 PolarHBondContact O-N 2.89Å; L661-A663 VanDerWaalsContact C-N 3.32Å; L661-A663 PolarHBondContact O-N 3.46Å; L661-R664 CarbonylContact O-C 3.55Å; L661-R664 WeakPolarHBondContact O-CA 3.5Å; L661-R664 PolarHBondContact O-N 3Å; L661-G665 PolarHBondContact O-N 2.92Å; L661-L666 CarbonylContact C-O 3.58Å; L661-L666 HydrophobicContact CB-CB 4.12Å; L661-L666 HydrophobicContact CD2-CB 3.79Å; L661-L666 HydrophobicContact CD2-CD1 3.73Å; L661-L666 HydrophobicContact CD2-CG 4.42Å; L661-L666 PolarHBondContact O-N 2.9Å; L661-L668 HydrophobicContact CD1-CD1 3.93Å; L661-L668 HydrophobicContact CD1-CD2 3.87Å; L661-L668 HydrophobicContact CD1-CG 3.76Å; L661-L745 HydrophobicContact CD2-CD2 3.83Å; L661-L745 HydrophobicContact CG-CD2 4.29Å; L661-F769 HydrophobicContact CD2-CE1 3.63Å; L661-F769 HydrophobicContact CD2-CZ 3.66Å
662	K	89.8	Confident	88.9	Confident	173 Å²	173	63.4 Å²	63.4	75%	0.752	35%	0.353	S	S	*	.	H	α-helix	trans	-62.3	-39.5	179.9	-171.3	176.7	-178.2	179.2	0	111.9	S658 G659 R664 G665	S658-K662 WeakPolarHBondContact O-CB 3.41Å; S658-K662 PolarHBondContact O-N 2.94Å; G659-K662 PolarHBondContact O-N 2.97Å; K662-R664 PolarHBondContact O-N 3.05Å; K662-R664 VanDerWaalsContact O-N 3.17Å; K662-G665 PolarHBondContact O-N 3.14Å; K662-G665 VanDerWaalsContact O-N 3.09Å
663	A	89.1	Confident	89	Confident	91 Å²	91	63.2 Å²	63.2	75%	0.752	35%	0.345	S	S	*	.	H	α-helix	trans	-60	-23.8	175.2	0	0	0	0	0	113.2	G659 L661	G659-A663 PolarHBondContact O-N 3.13Å; L661-A663 VanDerWaalsContact C-N 3.32Å; L661-A663 PolarHBondContact O-N 3.46Å
664	R	88.8	Confident	89.2	Confident	114 Å²	114	59.9 Å²	59.9	43%	0.43	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	5.5	179.4	-64.9	172	176.3	-94.3	1.8	113.5	L661 K662 L666	L661-R664 CarbonylContact O-C 3.55Å; L661-R664 WeakPolarHBondContact O-CA 3.5Å; L661-R664 PolarHBondContact O-N 3Å; K662-R664 PolarHBondContact O-N 3.05Å; K662-R664 VanDerWaalsContact O-N 3.17Å; R664-L666 HydrophobicContact CB-CD1 4.04Å; R664-L666 HydrophobicContact CB-CG 4.19Å; R664-L666 PolarHBondContact O-N 3.06Å
665	G	88.6	Confident	89.5	Confident	65 Å²	65	62 Å²	62	67%	0.67	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	24.5	-175.4	0	0	0	0	0	113.7	L661 K662	L661-G665 PolarHBondContact O-N 2.92Å; K662-G665 PolarHBondContact O-N 3.14Å; K662-G665 VanDerWaalsContact O-N 3.09Å
666	L	87.8	Confident	89.8	Confident	13 Å²	13	60.3 Å²	60.3	7%	0.068	33%	0.331	C	S	.	.			trans	-97.5	146.3	175	-64.4	168.6	0	0	0	109.8	L661 R664 E766 F769 R770	L661-L666 CarbonylContact C-O 3.58Å; L661-L666 HydrophobicContact CB-CB 4.12Å; L661-L666 HydrophobicContact CD2-CB 3.79Å; L661-L666 HydrophobicContact CD2-CD1 3.73Å; L661-L666 HydrophobicContact CD2-CG 4.42Å; L661-L666 PolarHBondContact O-N 2.9Å; R664-L666 HydrophobicContact CB-CD1 4.04Å; R664-L666 HydrophobicContact CB-CG 4.19Å; R664-L666 PolarHBondContact O-N 3.06Å; L666-E766 HydrophobicContact CD1-CG 4.29Å; L666-F769 HydrophobicContact CD1-CD1 3.84Å; L666-F769 HydrophobicContact CD1-CE1 3.87Å; L666-R770 HydrophobicContact CD2-CG 3.88Å
667	T	87.5	Confident	89.9	Confident	57 Å²	57	55.3 Å²	55.3	35%	0.35	31%	0.308	S	S	.	.			trans	-135.1	145.6	179.9	-177.7	0	0	0	0	111.1	Q669 W670	T667-Q669 VanDerWaalsContact C-N 3.33Å; T667-Q669 HydrophobicContact CG2-CB 4.19Å; T667-Q669 VanDerWaalsContact OG1-CB 3.28Å; T667-Q669 WeakPolarHBondContact OG1-CB 3.32Å; T667-Q669 PolarHBondContact OG1-N 3.38Å; T667-Q669 VanDerWaalsContact OG1-N 3.08Å; T667-W670 HydrophobicContact CG2-CE3 4.24Å; T667-W670 HydrophobicContact CG2-CH2 4.49Å; T667-W670 HydrophobicContact CG2-CZ3 3.98Å
668	L	88.7	Confident	90.1	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.068	31%	0.306	C	S	.	.			trans	-92.5	5.2	171.2	-60.3	177.1	0	0	0	112.1	L654 L661 W670 V671 Y672 L773	L654-L668 HydrophobicContact CB-CD1 3.66Å; L661-L668 HydrophobicContact CD1-CD1 3.93Å; L661-L668 HydrophobicContact CD1-CD2 3.87Å; L661-L668 HydrophobicContact CD1-CG 3.76Å; L668-W670 VanDerWaalsContact C-N 3.26Å; L668-W670 PolarHBondContact O-N 2.86Å; L668-W670 VanDerWaalsContact O-N 3.16Å; L668-V671 WeakPolarHBondContact O-CB 3.35Å; L668-V671 PolarHBondContact O-N 2.91Å; L668-Y672 HydrophobicContact CB-CD2 4.14Å; L668-Y672 HydrophobicContact CB-CE2 3.94Å; L668-Y672 VanDerWaalsContact O-CD2 3.25Å; L668-Y672 WeakPolarHBondContact O-CD2 3.44Å; L668-Y672 PolarHBondContact O-N 3.45Å; L668-Y672 VanDerWaalsContact O-N 3.16Å; L668-L773 HydrophobicContact CD2-CD1 3.81Å
669	Q	90.1	Very high	90.5	Very high	101 Å²	101	54.7 Å²	54.7	47%	0.472	30%	0.299	S	S	.	.	H	α-helix	trans	-51.4	-41.3	-174.5	-179.4	176.2	-6.4	0	0	113.3	T667 V671 Y672 S673 F798	T667-Q669 VanDerWaalsContact C-N 3.33Å; T667-Q669 HydrophobicContact CG2-CB 4.19Å; T667-Q669 VanDerWaalsContact OG1-CB 3.28Å; T667-Q669 WeakPolarHBondContact OG1-CB 3.32Å; T667-Q669 PolarHBondContact OG1-N 3.38Å; T667-Q669 VanDerWaalsContact OG1-N 3.08Å; Q669-V671 VanDerWaalsContact C-N 3.33Å; Q669-V671 PolarHBondContact O-N 3.35Å; Q669-Y672 WeakPolarHBondContact O-CB 3.43Å; Q669-Y672 PolarHBondContact O-N 3.46Å; Q669-S673 PolarHBondContact O-N 2.89Å; Q669-F798 HydrophobicContact CG-CE1 4.17Å; Q669-F798 HydrophobicContact CG-CZ 4.17Å
670	W	88.3	Confident	90.7	Very high	141 Å²	141	58.4 Å²	58.4	53%	0.534	30%	0.298	S	S	.	.	H	α-helix	trans	-66.9	-33.6	178.5	-63.6	-69	0	0	0	113.3	T667 L668 Y672 S673 A674 T777 F798	T667-W670 HydrophobicContact CG2-CE3 4.24Å; T667-W670 HydrophobicContact CG2-CH2 4.49Å; T667-W670 HydrophobicContact CG2-CZ3 3.98Å; L668-W670 VanDerWaalsContact C-N 3.26Å; L668-W670 PolarHBondContact O-N 2.86Å; L668-W670 VanDerWaalsContact O-N 3.16Å; W670-Y672 VanDerWaalsContact C-N 3.34Å; W670-S673 PolarHBondContact O-N 3.08Å; W670-A674 WeakPolarHBondContact O-CB 3.46Å; W670-A674 PolarHBondContact O-N 2.85Å; W670-T777 HydrophobicContact CB-CG2 3.54Å; W670-F798 AromaticContact CD1-CE2 3.8Å; W670-F798 AromaticContact CD1-CZ 3.31Å; W670-F798 HydrophobicContact CG-CZ 4.24Å; W670-F798 AromaticContact NE1-CZ 3.66Å
671	V	90.4	Very high	90.9	Very high	4 Å²	4	56 Å²	56	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-41.3	174.7	-176.3	0	0	0	0	110.1	I651 L668 Q669 A674 R675 L773 T777 L780	I651-V671 HydrophobicContact CD1-CG1 3.72Å; I651-V671 HydrophobicContact CG1-CG1 3.88Å; L668-V671 WeakPolarHBondContact O-CB 3.35Å; L668-V671 PolarHBondContact O-N 2.91Å; Q669-V671 VanDerWaalsContact C-N 3.33Å; Q669-V671 PolarHBondContact O-N 3.35Å; V671-A674 PolarHBondContact O-N 2.81Å; V671-R675 WeakPolarHBondContact O-CB 3.34Å; V671-R675 PolarHBondContact O-N 2.87Å; V671-L773 HydrophobicContact CG2-CD1 3.5Å; V671-L773 VanDerWaalsContact CG2-CD1 3.5Å; V671-T777 WeakPolarHBondContact CG2-OG1 3.19Å; V671-L780 HydrophobicContact CG1-CD2 4.48Å
672	Y	90.8	Very high	91.2	Very high	100 Å²	100	56 Å²	56	39%	0.392	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-42.9	174	-75.9	-75.7	0	0	0	112.7	I651 N655 L668 Q669 W670 R675 G676	I651-Y672 HydrophobicContact CD1-CD1 4.46Å; I651-Y672 HydrophobicContact CG2-CD1 4.26Å; I651-Y672 HydrophobicContact CG2-CE1 3.53Å; I651-Y672 HydrophobicContact CG2-CE2 4.23Å; N655-Y672 PolarHBondContact ND2-OH 2.91Å; N655-Y672 PolarHBondContact OD1-OH 2.78Å; L668-Y672 HydrophobicContact CB-CD2 4.14Å; L668-Y672 HydrophobicContact CB-CE2 3.94Å; L668-Y672 VanDerWaalsContact O-CD2 3.25Å; L668-Y672 WeakPolarHBondContact O-CD2 3.44Å; L668-Y672 PolarHBondContact O-N 3.45Å; L668-Y672 VanDerWaalsContact O-N 3.16Å; Q669-Y672 WeakPolarHBondContact O-CB 3.43Å; Q669-Y672 PolarHBondContact O-N 3.46Å; W670-Y672 VanDerWaalsContact C-N 3.34Å; Y672-R675 PolarHBondContact O-N 3.45Å; Y672-G676 PolarHBondContact O-N 2.98Å
673	S	91.6	Very high	91.4	Very high	30 Å²	30	51.3 Å²	51.3	21%	0.21	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-51.7	176.6	-168.7	0	0	0	0	110.9	Q669 W670 R675 G676 D677 F798	Q669-S673 PolarHBondContact O-N 2.89Å; W670-S673 PolarHBondContact O-N 3.08Å; S673-R675 VanDerWaalsContact C-N 3.3Å; S673-R675 PolarHBondContact O-N 2.89Å; S673-G676 CarbonylContact O-C 3.54Å; S673-G676 WeakPolarHBondContact O-CA 3.12Å; S673-G676 PolarHBondContact O-N 2.59Å; S673-D677 PolarHBondContact O-N 3.46Å; S673-F798 VanDerWaalsContact OG-CE2 3.26Å; S673-F798 WeakPolarHBondContact OG-CE2 3.36Å
674	A	92.7	Very high	91.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.8	-38.1	179.8	0	0	0	0	0	112.3	W670 V671 Y678 T777 L780 Q781	W670-A674 WeakPolarHBondContact O-CB 3.46Å; W670-A674 PolarHBondContact O-N 2.85Å; V671-A674 PolarHBondContact O-N 2.81Å; A674-Y678 PolarHBondContact O-N 3.41Å; A674-T777 HydrophobicContact CB-CG2 4.47Å; A674-L780 HydrophobicContact CB-CB 4.13Å; A674-L780 HydrophobicContact CB-CD2 3.84Å; A674-L780 HydrophobicContact CB-CG 3.83Å; A674-Q781 VanDerWaalsContact CA-OE1 3.31Å; A674-Q781 HydrophobicContact CB-CB 4.21Å
675	R	93.4	Very high	91.8	Very high	44 Å²	44	44.3 Å²	44.3	17%	0.166	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-45.2	171	-178.4	-174.4	169.8	-91.5	-2.3	111.7	G644 V647 I651 V671 Y672 S673 D677 Y678 I679 L780	G644-R675 PolarHBondContact O-NE 3Å; G644-R675 PolarHBondContact O-NH2 2.86Å; V647-R675 HydrophobicContact CB-CG 4.2Å; V647-R675 HydrophobicContact CG1-CB 3.91Å; V647-R675 HydrophobicContact CG1-CG 3.79Å; I651-R675 HydrophobicContact CD1-CB 4.26Å; V671-R675 WeakPolarHBondContact O-CB 3.34Å; V671-R675 PolarHBondContact O-N 2.87Å; Y672-R675 PolarHBondContact O-N 3.45Å; S673-R675 VanDerWaalsContact C-N 3.3Å; S673-R675 PolarHBondContact O-N 2.89Å; R675-D677 VanDerWaalsContact C-N 3.32Å; R675-Y678 WeakPolarHBondContact O-CB 3.36Å; R675-Y678 PolarHBondContact O-N 3.08Å; R675-I679 HydrophobicContact CG-CD1 4.03Å; R675-I679 WeakPolarHBondContact O-CG1 3.42Å; R675-I679 PolarHBondContact O-N 3.46Å; R675-L780 HydrophobicContact CB-CD2 4.21Å
676	G	93.4	Very high	92.1	Very high	17 Å²	17	46 Å²	46	18%	0.175	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-44.1	178.5	0	0	0	0	0	111.9	Y672 S673 I679 R680	Y672-G676 PolarHBondContact O-N 2.98Å; S673-G676 CarbonylContact O-C 3.54Å; S673-G676 WeakPolarHBondContact O-CA 3.12Å; S673-G676 PolarHBondContact O-N 2.59Å; G676-I679 PolarHBondContact O-N 2.86Å; G676-R680 WeakPolarHBondContact O-CG 3.27Å; G676-R680 PolarHBondContact O-N 3.34Å
677	D	92.8	Very high	92.3	Very high	14 Å²	14	50.8 Å²	50.8	8%	0.075	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-45.3	173.3	-76.4	-26.1	0	0	0	111.8	S673 R675 I679 R680 A681 Q781 A784	S673-D677 PolarHBondContact O-N 3.46Å; R675-D677 VanDerWaalsContact C-N 3.32Å; D677-I679 VanDerWaalsContact C-N 3.34Å; D677-I679 PolarHBondContact O-N 2.98Å; D677-R680 PolarHBondContact O-N 2.89Å; D677-R680 IonicContact OD1-CZ 3.69Å; D677-R680 IonicContact OD1-NE 3.73Å; D677-R680 IonicContact OD1-NH2 2.71Å; D677-R680 PolarHBondContact OD1-NH2 2.9Å; D677-A681 VanDerWaalsContact O-CB 3.32Å; D677-A681 WeakPolarHBondContact O-CB 3.24Å; D677-A681 PolarHBondContact O-N 3.39Å; D677-Q781 PolarHBondContact OD2-NE2 2.84Å; D677-Q781 PolarHBondContact OD2-OE1 2.93Å; D677-A784 HydrophobicContact CB-CB 3.84Å
678	Y	94.4	Very high	92.6	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-58.7	-45.7	177.5	-176.4	-90.7	0	0	0	111.9	F640 Y643 A674 R675 A681 A682 V710 F714 A783 A784 L787	F640-Y678 PolarHBondContact O-OH 3.11Å; Y643-Y678 WeakPolarHBondContact CB-OH 3.46Å; A674-Y678 PolarHBondContact O-N 3.41Å; R675-Y678 WeakPolarHBondContact O-CB 3.36Å; R675-Y678 PolarHBondContact O-N 3.08Å; Y678-A681 PolarHBondContact O-N 2.99Å; Y678-A682 WeakPolarHBondContact O-CB 3.05Å; Y678-A682 PolarHBondContact O-N 2.88Å; Y678-V710 VanDerWaalsContact OH-CG1 3.27Å; Y678-V710 WeakPolarHBondContact OH-CG1 3.03Å; Y678-F714 HydrophobicContact CD2-CZ 4.09Å; Y678-F714 AromaticContact CE2-CE2 3.99Å; Y678-F714 HydrophobicContact CE2-CE2 3.99Å; Y678-F714 AromaticContact CE2-CZ 3.53Å; Y678-F714 HydrophobicContact CE2-CZ 3.53Å; Y678-F714 AromaticContact CZ-CZ 3.81Å; Y678-A783 HydrophobicContact CD2-CB 4.27Å; Y678-A783 HydrophobicContact CE2-CB 4.33Å; Y678-A784 HydrophobicContact CD2-CB 4.43Å; Y678-L787 HydrophobicContact CD2-CD2 4.34Å; Y678-L787 HydrophobicContact CE2-CD2 3.81Å
679	I	94.8	Very high	92.8	Very high	62 Å²	62	51.3 Å²	51.3	32%	0.318	23%	0.23	S	C	.	.	H	α-helix	trans	-65.4	-42.8	179.8	-70.4	170.6	0	0	0	111.2	R675 G676 D677 A681 A682 E683	R675-I679 HydrophobicContact CG-CD1 4.03Å; R675-I679 WeakPolarHBondContact O-CG1 3.42Å; R675-I679 PolarHBondContact O-N 3.46Å; G676-I679 PolarHBondContact O-N 2.86Å; D677-I679 VanDerWaalsContact C-N 3.34Å; D677-I679 PolarHBondContact O-N 2.98Å; I679-A681 VanDerWaalsContact C-N 3.35Å; I679-A682 PolarHBondContact O-N 3.27Å; I679-E683 WeakPolarHBondContact O-CB 3.43Å; I679-E683 PolarHBondContact O-N 2.67Å
680	R	93.5	Very high	92.8	Very high	127 Å²	127	56.5 Å²	56.5	48%	0.479	25%	0.247	S	C	.	.	H	α-helix	trans	-62	-43.4	174.8	-75.2	-173.6	-70.3	-96.5	8.9	111.6	G676 D677 E683 K684	G676-R680 WeakPolarHBondContact O-CG 3.27Å; G676-R680 PolarHBondContact O-N 3.34Å; D677-R680 PolarHBondContact O-N 2.89Å; D677-R680 IonicContact OD1-CZ 3.69Å; D677-R680 IonicContact OD1-NE 3.73Å; D677-R680 IonicContact OD1-NH2 2.71Å; D677-R680 PolarHBondContact OD1-NH2 2.9Å; R680-E683 PolarHBondContact O-N 2.83Å; R680-K684 VanDerWaalsContact O-CB 3.23Å; R680-K684 WeakPolarHBondContact O-CB 3.35Å; R680-K684 PolarHBondContact O-N 3.25Å
681	A	93.6	Very high	93	Very high	6 Å²	6	54.5 Å²	54.5	5%	0.05	25%	0.254	C	S	.	.	H	α-helix	trans	-63.2	-42.9	177.7	0	0	0	0	0	111.9	D677 Y678 I679 L685 A784 L787	D677-A681 VanDerWaalsContact O-CB 3.32Å; D677-A681 WeakPolarHBondContact O-CB 3.24Å; D677-A681 PolarHBondContact O-N 3.39Å; Y678-A681 PolarHBondContact O-N 2.99Å; I679-A681 VanDerWaalsContact C-N 3.35Å; A681-L685 PolarHBondContact O-N 3.22Å; A681-A784 WeakPolarHBondContact CB-O 3.4Å; A681-L787 HydrophobicContact CB-CB 4.11Å; A681-L787 HydrophobicContact CB-CD2 4.35Å; A681-L787 HydrophobicContact CB-CG 4.22Å
682	A	94.9	Very high	93	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-50.1	174.7	0	0	0	0	0	111.4	F640 Y678 I679 K684 L685 R686 L787	F640-A682 HydrophobicContact CD2-CB 3.87Å; F640-A682 HydrophobicContact CE2-CB 4.08Å; F640-A682 VanDerWaalsContact CE2-O 3.31Å; F640-A682 WeakPolarHBondContact CE2-O 3.41Å; Y678-A682 WeakPolarHBondContact O-CB 3.05Å; Y678-A682 PolarHBondContact O-N 2.88Å; I679-A682 PolarHBondContact O-N 3.27Å; A682-K684 VanDerWaalsContact C-N 3.31Å; A682-K684 PolarHBondContact O-N 2.97Å; A682-L685 PolarHBondContact O-N 3.12Å; A682-R686 PolarHBondContact O-N 3.36Å; A682-L787 HydrophobicContact CB-CD2 3.75Å
683	E	94.2	Very high	92.7	Very high	74 Å²	74	58.1 Å²	58.1	35%	0.346	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-38.6	-179.7	-175.4	53.4	-151.3	0	0	112	I679 R680 R686 Q687	I679-E683 WeakPolarHBondContact O-CB 3.43Å; I679-E683 PolarHBondContact O-N 2.67Å; R680-E683 PolarHBondContact O-N 2.83Å; E683-R686 WeakPolarHBondContact O-CB 3.49Å; E683-R686 PolarHBondContact O-N 3.37Å; E683-R686 IonicContact OE2-CZ 3.47Å; E683-R686 IonicContact OE2-NH1 3.5Å; E683-R686 PolarHBondContact OE2-NH1 2.89Å; E683-Q687 WeakPolarHBondContact O-CG 3.45Å; E683-Q687 PolarHBondContact O-N 2.99Å; E683-Q687 PolarHBondContact OE1-NE2 3.08Å
684	K	93.1	Very high	92.1	Very high	59 Å²	59	63 Å²	63	26%	0.257	30%	0.297	S	S	.	.	H	α-helix	trans	-60.2	-48.7	173.2	-178.2	177.4	175.6	-177.9	0	111.9	R680 A682 R686 Q687 E688 N793	R680-K684 VanDerWaalsContact O-CB 3.23Å; R680-K684 WeakPolarHBondContact O-CB 3.35Å; R680-K684 PolarHBondContact O-N 3.25Å; A682-K684 VanDerWaalsContact C-N 3.31Å; A682-K684 PolarHBondContact O-N 2.97Å; K684-R686 VanDerWaalsContact C-N 3.28Å; K684-R686 PolarHBondContact O-N 2.94Å; K684-Q687 PolarHBondContact O-N 2.76Å; K684-E688 WeakPolarHBondContact CE-OE1 3.37Å; K684-E688 HydrophobicContact CG-CG 4.46Å; K684-E688 WeakPolarHBondContact O-CB 3.22Å; K684-E688 WeakPolarHBondContact O-CG 2.94Å; K684-E688 PolarHBondContact O-N 3.16Å; K684-N793 VanDerWaalsContact NZ-CG 3.27Å; K684-N793 PolarHBondContact NZ-ND2 3.32Å
685	L	93.4	Very high	91.5	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.1	-41.2	175.9	174	59.3	0	0	0	111.4	F640 A681 A682 Q687 E688 I689 Y703 R706 I707 L787	F640-L685 HydrophobicContact CD1-CD2 4.4Å; F640-L685 HydrophobicContact CD2-CD2 4.33Å; F640-L685 HydrophobicContact CE1-CD2 4.06Å; F640-L685 HydrophobicContact CE1-CG 4.43Å; F640-L685 HydrophobicContact CE2-CB 4.24Å; F640-L685 HydrophobicContact CE2-CD2 4.02Å; F640-L685 HydrophobicContact CE2-CG 4.21Å; F640-L685 HydrophobicContact CZ-CB 4.33Å; F640-L685 HydrophobicContact CZ-CD2 3.86Å; F640-L685 HydrophobicContact CZ-CG 3.89Å; A681-L685 PolarHBondContact O-N 3.22Å; A682-L685 PolarHBondContact O-N 3.12Å; L685-Q687 VanDerWaalsContact C-N 3.35Å; L685-Q687 PolarHBondContact O-N 2.75Å; L685-E688 PolarHBondContact O-N 2.88Å; L685-I689 HydrophobicContact CD1-CD1 3.82Å; L685-I689 HydrophobicContact CD1-CG1 4.02Å; L685-I689 HydrophobicContact CG-CD1 3.84Å; L685-I689 HydrophobicContact CG-CG1 4.47Å; L685-I689 WeakPolarHBondContact O-CB 3.38Å; L685-I689 VanDerWaalsContact O-CG1 3.25Å; L685-I689 WeakPolarHBondContact O-CG1 3.49Å; L685-I689 PolarHBondContact O-N 3.11Å; L685-Y703 HydrophobicContact CD1-CD1 3.5Å; L685-Y703 HydrophobicContact CD1-CE1 4.08Å; L685-Y703 HydrophobicContact CD1-CG 4.28Å; L685-R706 HydrophobicContact CD2-CB 4.27Å; L685-I707 HydrophobicContact CD2-CG1 4.25Å; L685-L787 HydrophobicContact CD2-CD1 3.51Å; L685-L787 HydrophobicContact CD2-CG 4.48Å
686	R	94.4	Very high	91.4	Very high	101 Å²	101	73.8 Å²	73.8	38%	0.381	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-42.8	176.9	-173.7	178.8	-67.7	127.8	-4.2	111.9	D639 F640 A682 E683 K684 I689 Y690	D639-R686 IonicContact OD1-NH2 2.62Å; F640-R686 HydrophobicContact CZ-CB 4.29Å; A682-R686 PolarHBondContact O-N 3.36Å; E683-R686 WeakPolarHBondContact O-CB 3.49Å; E683-R686 PolarHBondContact O-N 3.37Å; E683-R686 IonicContact OE2-CZ 3.47Å; E683-R686 IonicContact OE2-NH1 3.5Å; E683-R686 PolarHBondContact OE2-NH1 2.89Å; K684-R686 VanDerWaalsContact C-N 3.28Å; K684-R686 PolarHBondContact O-N 2.94Å; R686-I689 PolarHBondContact O-N 3.34Å; R686-Y690 WeakPolarHBondContact O-CB 3.45Å; R686-Y690 PolarHBondContact O-N 3.42Å
687	Q	93.3	Very high	91.2	Very high	112 Å²	112	78.1 Å²	78.1	52%	0.523	36%	0.358	S	S	.	.	H	α-helix	trans	-68	-40.5	176.5	-70.7	174.8	5.2	0	0	112.5	E683 K684 L685 Y690 S691	E683-Q687 WeakPolarHBondContact O-CG 3.45Å; E683-Q687 PolarHBondContact O-N 2.99Å; E683-Q687 PolarHBondContact OE1-NE2 3.08Å; K684-Q687 PolarHBondContact O-N 2.76Å; L685-Q687 VanDerWaalsContact C-N 3.35Å; L685-Q687 PolarHBondContact O-N 2.75Å; Q687-Y690 PolarHBondContact O-N 3.21Å; Q687-S691 WeakPolarHBondContact O-CB 3.25Å; Q687-S691 PolarHBondContact O-N 3.03Å; Q687-S691 PolarHBondContact O-OG 3.36Å
688	E	92.3	Very high	91.1	Very high	50 Å²	50	87.6 Å²	87.6	23%	0.234	39%	0.393	C	S	.	.	H	α-helix	trans	-60.8	-43.9	174.1	-74.7	172.4	178	0	0	111.4	K684 L685 S691 S692 Y703 R706	K684-E688 WeakPolarHBondContact CE-OE1 3.37Å; K684-E688 HydrophobicContact CG-CG 4.46Å; K684-E688 WeakPolarHBondContact O-CB 3.22Å; K684-E688 WeakPolarHBondContact O-CG 2.94Å; K684-E688 PolarHBondContact O-N 3.16Å; L685-E688 PolarHBondContact O-N 2.88Å; E688-S691 PolarHBondContact O-OG 3.33Å; E688-S692 WeakPolarHBondContact O-CB 3.29Å; E688-S692 PolarHBondContact O-N 2.65Å; E688-S692 VanDerWaalsContact O-N 3.11Å; E688-S692 PolarHBondContact O-OG 3.45Å; E688-Y703 HydrophobicContact CB-CE1 4.04Å; E688-Y703 PolarHBondContact O-OH 3.49Å; E688-R706 IonicContact OE2-CZ 2.69Å; E688-R706 IonicContact OE2-NH1 3.77Å; E688-R706 PolarHBondContact OE2-NH1 3.17Å; E688-R706 IonicContact OE2-NH2 3.92Å; E688-R706 PolarHBondContact OE2-NH2 2.66Å
689	I	92.8	Very high	91	Very high	32 Å²	32	90.3 Å²	90.3	16%	0.164	41%	0.407	C	S	.	.	H	α-helix	trans	-61.3	-50.3	174.3	-70.2	164.5	0	0	0	110.2	L635 F640 L685 R686 S691 S692 Y703 I707	L635-I689 HydrophobicContact CD1-CD1 4.12Å; L635-I689 HydrophobicContact CD1-CG1 4.43Å; L635-I689 HydrophobicContact CD1-CG2 4.35Å; L635-I689 HydrophobicContact CD2-CD1 4.4Å; L635-I689 HydrophobicContact CD2-CG2 3.64Å; F640-I689 HydrophobicContact CE1-CD1 4.29Å; F640-I689 HydrophobicContact CZ-CD1 4.31Å; L685-I689 HydrophobicContact CD1-CD1 3.82Å; L685-I689 HydrophobicContact CD1-CG1 4.02Å; L685-I689 HydrophobicContact CG-CD1 3.84Å; L685-I689 HydrophobicContact CG-CG1 4.47Å; L685-I689 WeakPolarHBondContact O-CB 3.38Å; L685-I689 VanDerWaalsContact O-CG1 3.25Å; L685-I689 WeakPolarHBondContact O-CG1 3.49Å; L685-I689 PolarHBondContact O-N 3.11Å; R686-I689 PolarHBondContact O-N 3.34Å; I689-S691 VanDerWaalsContact C-N 3.32Å; I689-S691 PolarHBondContact O-N 3.03Å; I689-S692 PolarHBondContact O-N 3.5Å; I689-S692 PolarHBondContact O-OG 2.95Å; I689-Y703 HydrophobicContact CD1-CG 4.43Å; I689-Y703 HydrophobicContact CG1-CD1 4.05Å; I689-Y703 HydrophobicContact CG1-CD2 3.75Å; I689-Y703 HydrophobicContact CG1-CE1 4.41Å; I689-Y703 HydrophobicContact CG1-CE2 4.15Å; I689-Y703 HydrophobicContact CG1-CG 3.7Å; I689-I707 HydrophobicContact CD1-CD1 4.36Å
690	Y	91.4	Very high	90.8	Very high	210 Å²	210	87.7 Å²	87.7	82%	0.824	39%	0.394	S	S	*	.	H	α-helix	trans	-63.3	-35.3	-176.8	-178.6	-97.5	0	0	0	113.6	R686 Q687	R686-Y690 WeakPolarHBondContact O-CB 3.45Å; R686-Y690 PolarHBondContact O-N 3.42Å; Q687-Y690 PolarHBondContact O-N 3.21Å
691	S	91.3	Very high	90.8	Very high	98 Å²	98	85.5 Å²	85.5	69%	0.685	39%	0.386	S	S	*	.	H	α-helix	trans	-87.2	-6.6	179.7	56.7	0	0	0	0	114.1	Q687 E688 I689	Q687-S691 WeakPolarHBondContact O-CB 3.25Å; Q687-S691 PolarHBondContact O-N 3.03Å; Q687-S691 PolarHBondContact O-OG 3.36Å; E688-S691 PolarHBondContact O-OG 3.33Å; I689-S691 VanDerWaalsContact C-N 3.32Å; I689-S691 PolarHBondContact O-N 3.03Å
692	S	90	Very high	90.7	Very high	32 Å²	32	89.5 Å²	89.5	22%	0.224	40%	0.404	C	S	.	.	S	Bend	trans	-88.6	158	179.8	69.2	0	0	0	0	113.4	E688 I689 E694 Y703	E688-S692 WeakPolarHBondContact O-CB 3.29Å; E688-S692 PolarHBondContact O-N 2.65Å; E688-S692 VanDerWaalsContact O-N 3.11Å; E688-S692 PolarHBondContact O-OG 3.45Å; I689-S692 PolarHBondContact O-N 3.5Å; I689-S692 PolarHBondContact O-OG 2.95Å; S692-E694 PolarHBondContact O-N 2.9Å; S692-Y703 WeakPolarHBondContact OG-CE2 3.45Å
693	E	86.3	Confident	90.7	Very high	148 Å²	148	90.1 Å²	90.1	69%	0.692	41%	0.406	S	S	*	.			trans	-80.9	115.1	176.7	-135.5	176.1	-170.1	0	0	110.5	R695 D696	E693-R695 PolarHBondContact O-N 3.3Å; E693-D696 PolarHBondContact O-N 3.35Å
694	E	77.2	Confident	90.7	Very high	132 Å²	132	86.6 Å²	86.6	62%	0.617	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.4	-176.9	-157.2	-167.5	160.5	0	0	114.1	R634 S692	R634-E694 PolarHBondContact NH1-O 3.42Å; S692-E694 PolarHBondContact O-N 2.9Å
695	R	81.4	Confident	90.6	Very high	209 Å²	209	85.5 Å²	85.5	79%	0.789	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-16.7	176.5	-66	-175.8	179.5	-172.7	0.2	112.9	E693 E697	E693-R695 PolarHBondContact O-N 3.3Å; R695-E697 PolarHBondContact O-N 3.48Å; R695-E697 VanDerWaalsContact O-N 3.13Å
696	D	90.4	Very high	90.6	Very high	62 Å²	62	86.5 Å²	86.5	33%	0.332	39%	0.392	S	S	.	.			trans	-76.1	102.1	174.7	-171.9	-31.1	0	0	0	109.7	E693 R698 L699 T700	E693-D696 PolarHBondContact O-N 3.35Å; D696-R698 VanDerWaalsContact C-N 3.27Å; D696-R698 PolarHBondContact O-N 3.46Å; D696-R698 WeakPolarHBondContact OD1-CA 3.29Å; D696-R698 WeakPolarHBondContact OD1-CB 3.28Å; D696-R698 PolarHBondContact OD1-N 3.26Å; D696-L699 HydrophobicContact CB-CB 4.05Å; D696-L699 HydrophobicContact CB-CD1 3.97Å; D696-L699 HydrophobicContact CB-CG 4.18Å; D696-L699 PolarHBondContact OD1-N 3.03Å; D696-L699 WeakPolarHBondContact OD2-CD1 3.34Å; D696-L699 WeakPolarHBondContact OD2-CG 3.25Å; D696-T700 WeakPolarHBondContact O-CB 3.39Å; D696-T700 PolarHBondContact O-N 3.41Å; D696-T700 PolarHBondContact O-OG1 3.02Å
697	E	89.4	Confident	90.6	Very high	109 Å²	109	81.7 Å²	81.7	51%	0.509	37%	0.374	S	S	.	.	H	α-helix	trans	-64.6	-31.5	-179.9	-62.9	-156.5	123	0	0	112.8	R465 R695 R701	R465-E697 IonicContact CZ-OE1 3.97Å; R465-E697 IonicContact NH1-OE1 2.74Å; R465-E697 PolarHBondContact NH1-OE1 2.92Å; R465-E697 IonicContact NH2-OE1 2.71Å; R695-E697 PolarHBondContact O-N 3.48Å; R695-E697 VanDerWaalsContact O-N 3.13Å; E697-R701 WeakPolarHBondContact O-CB 3.16Å; E697-R701 PolarHBondContact O-N 2.91Å
698	R	90.6	Very high	90.6	Very high	213 Å²	213	76.7 Å²	76.7	80%	0.804	35%	0.35	S	S	*	.	H	α-helix	trans	-73.2	-44	-177.9	-174.2	178.9	-180	168.8	0.6	110.5	D696 R701 M702	D696-R698 VanDerWaalsContact C-N 3.27Å; D696-R698 PolarHBondContact O-N 3.46Å; D696-R698 WeakPolarHBondContact OD1-CA 3.29Å; D696-R698 WeakPolarHBondContact OD1-CB 3.28Å; D696-R698 PolarHBondContact OD1-N 3.26Å; R698-R701 PolarHBondContact O-N 2.84Å; R698-M702 PolarHBondContact O-N 3.17Å
699	L	92.1	Very high	90.5	Very high	58 Å²	58	78.6 Å²	78.6	30%	0.304	36%	0.356	S	S	.	.	H	α-helix	trans	-63.2	-46.8	173.7	-72.9	177.3	0	0	0	111.1	D696 R701 M702 Y703	D696-L699 HydrophobicContact CB-CB 4.05Å; D696-L699 HydrophobicContact CB-CD1 3.97Å; D696-L699 HydrophobicContact CB-CG 4.18Å; D696-L699 PolarHBondContact OD1-N 3.03Å; D696-L699 WeakPolarHBondContact OD2-CD1 3.34Å; D696-L699 WeakPolarHBondContact OD2-CG 3.25Å; L699-R701 VanDerWaalsContact C-N 3.31Å; L699-R701 PolarHBondContact O-N 2.86Å; L699-M702 HydrophobicContact CD2-CE 4Å; L699-M702 WeakPolarHBondContact O-CB 3.24Å; L699-M702 PolarHBondContact O-N 2.84Å; L699-M702 VanDerWaalsContact O-N 3.12Å; L699-Y703 HydrophobicContact CB-CE2 4.27Å; L699-Y703 VanDerWaalsContact O-CD2 3.23Å; L699-Y703 WeakPolarHBondContact O-CD2 3.38Å; L699-Y703 PolarHBondContact O-N 3.06Å
700	T	92.1	Very high	90.5	Very high	7 Å²	7	77.3 Å²	77.3	4%	0.043	35%	0.349	C	S	.	.	H	α-helix	trans	-58.5	-44.3	177.6	-57.3	0	0	0	0	111.5	R634 D696 M702 Y703 N704	R634-T700 HydrophobicContact CB-CG2 4.16Å; R634-T700 VanDerWaalsContact O-CG2 3.29Å; R634-T700 WeakPolarHBondContact O-CG2 3.27Å; D696-T700 WeakPolarHBondContact O-CB 3.39Å; D696-T700 PolarHBondContact O-N 3.41Å; D696-T700 PolarHBondContact O-OG1 3.02Å; T700-M702 PolarHBondContact O-N 2.97Å; T700-Y703 PolarHBondContact O-N 2.84Å; T700-N704 PolarHBondContact O-N 2.73Å; T700-N704 PolarHBondContact O-ND2 3.23Å
701	R	92.2	Very high	90.7	Very high	81 Å²	81	67.3 Å²	67.3	31%	0.306	31%	0.31	S	S	.	.	H	α-helix	trans	-62.3	-41.5	176.2	-175.3	170.3	174.9	121.7	7.6	111.8	D421 E697 R698 L699 Y703 N704 V705	D421-R701 IonicContact OD1-CZ 2.71Å; D421-R701 IonicContact OD1-NH1 3.28Å; D421-R701 PolarHBondContact OD1-NH1 3.36Å; D421-R701 IonicContact OD1-NH2 3.59Å; D421-R701 PolarHBondContact OD1-NH2 2.83Å; D421-R701 IonicContact OD2-CZ 3.22Å; D421-R701 IonicContact OD2-NH2 2.93Å; D421-R701 PolarHBondContact OD2-NH2 3.42Å; E697-R701 WeakPolarHBondContact O-CB 3.16Å; E697-R701 PolarHBondContact O-N 2.91Å; R698-R701 PolarHBondContact O-N 2.84Å; L699-R701 VanDerWaalsContact C-N 3.31Å; L699-R701 PolarHBondContact O-N 2.86Å; R701-Y703 VanDerWaalsContact C-N 3.34Å; R701-Y703 PolarHBondContact O-N 2.92Å; R701-N704 PolarHBondContact O-N 2.84Å; R701-V705 WeakPolarHBondContact O-CG2 3.42Å; R701-V705 PolarHBondContact O-N 2.86Å
702	M	92.1	Very high	90.9	Very high	89 Å²	89	63.7 Å²	63.7	44%	0.438	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-43.4	174.8	-179	-171	70.2	0	0	111.8	R698 L699 T700 V705 R706	R698-M702 PolarHBondContact O-N 3.17Å; L699-M702 HydrophobicContact CD2-CE 4Å; L699-M702 WeakPolarHBondContact O-CB 3.24Å; L699-M702 PolarHBondContact O-N 2.84Å; L699-M702 VanDerWaalsContact O-N 3.12Å; T700-M702 PolarHBondContact O-N 2.97Å; M702-V705 PolarHBondContact O-N 3Å; M702-R706 PolarHBondContact O-N 2.94Å; M702-R706 VanDerWaalsContact O-N 3.15Å
703	Y	93.9	Very high	91.1	Very high	16 Å²	16	65.5 Å²	65.5	6%	0.063	29%	0.285	C	S	.	.	H	α-helix	trans	-65	-45.4	175.8	-61.1	-43.4	0	0	0	112	L685 E688 I689 S692 L699 T700 R701 V705 R706 I707	L685-Y703 HydrophobicContact CD1-CD1 3.5Å; L685-Y703 HydrophobicContact CD1-CE1 4.08Å; L685-Y703 HydrophobicContact CD1-CG 4.28Å; E688-Y703 HydrophobicContact CB-CE1 4.04Å; E688-Y703 PolarHBondContact O-OH 3.49Å; I689-Y703 HydrophobicContact CD1-CG 4.43Å; I689-Y703 HydrophobicContact CG1-CD1 4.05Å; I689-Y703 HydrophobicContact CG1-CD2 3.75Å; I689-Y703 HydrophobicContact CG1-CE1 4.41Å; I689-Y703 HydrophobicContact CG1-CE2 4.15Å; I689-Y703 HydrophobicContact CG1-CG 3.7Å; S692-Y703 WeakPolarHBondContact OG-CE2 3.45Å; L699-Y703 HydrophobicContact CB-CE2 4.27Å; L699-Y703 VanDerWaalsContact O-CD2 3.23Å; L699-Y703 WeakPolarHBondContact O-CD2 3.38Å; L699-Y703 PolarHBondContact O-N 3.06Å; T700-Y703 PolarHBondContact O-N 2.84Å; R701-Y703 VanDerWaalsContact C-N 3.34Å; R701-Y703 PolarHBondContact O-N 2.92Å; Y703-V705 VanDerWaalsContact C-N 3.29Å; Y703-V705 PolarHBondContact O-N 3.24Å; Y703-R706 WeakPolarHBondContact O-CB 3.44Å; Y703-R706 PolarHBondContact O-N 2.96Å; Y703-I707 VanDerWaalsContact O-CG1 3.3Å; Y703-I707 WeakPolarHBondContact O-CG1 3.48Å; Y703-I707 PolarHBondContact O-N 3.47Å
704	N	94.6	Very high	91.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-56.5	-43.1	176.5	-72.4	-25	0	0	0	112.1	R466 R634 L635 L636 T700 R701 R706 I707 M708	R466-N704 PolarHBondContact NH2-ND2 3.17Å; R634-N704 PolarHBondContact O-ND2 2.97Å; L635-N704 WeakPolarHBondContact CA-OD1 3.45Å; L636-N704 HydrophobicContact CD1-CB 3.89Å; L636-N704 HydrophobicContact CG-CB 4.19Å; L636-N704 PolarHBondContact N-OD1 2.89Å; T700-N704 PolarHBondContact O-N 2.73Å; T700-N704 PolarHBondContact O-ND2 3.23Å; R701-N704 PolarHBondContact O-N 2.84Å; N704-R706 VanDerWaalsContact C-N 3.34Å; N704-R706 PolarHBondContact O-N 3.15Å; N704-I707 PolarHBondContact O-N 3.08Å; N704-M708 VanDerWaalsContact O-CG 3.31Å; N704-M708 WeakPolarHBondContact O-CG 3.5Å; N704-M708 PolarHBondContact O-N 2.97Å
705	V	92.5	Very high	92.4	Very high	37 Å²	37	52.2 Å²	52.2	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-39.8	176.4	170.6	0	0	0	0	111.6	R701 M702 Y703 R709	R701-V705 WeakPolarHBondContact O-CG2 3.42Å; R701-V705 PolarHBondContact O-N 2.86Å; M702-V705 PolarHBondContact O-N 3Å; Y703-V705 VanDerWaalsContact C-N 3.29Å; Y703-V705 PolarHBondContact O-N 3.24Å; V705-R709 WeakPolarHBondContact O-CB 3.43Å; V705-R709 WeakPolarHBondContact O-CD 3.37Å; V705-R709 VanDerWaalsContact O-CG 3.22Å; V705-R709 WeakPolarHBondContact O-CG 3.46Å; V705-R709 PolarHBondContact O-N 3.43Å
706	R	92.4	Very high	93	Very high	20 Å²	20	42.2 Å²	42.2	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-41.5	174.4	-74.9	170.7	69.5	-172.9	-2.6	111.5	L685 E688 M702 Y703 N704 R709 L787 S788	L685-R706 HydrophobicContact CD2-CB 4.27Å; E688-R706 IonicContact OE2-CZ 2.69Å; E688-R706 IonicContact OE2-NH1 3.77Å; E688-R706 PolarHBondContact OE2-NH1 3.17Å; E688-R706 IonicContact OE2-NH2 3.92Å; E688-R706 PolarHBondContact OE2-NH2 2.66Å; M702-R706 PolarHBondContact O-N 2.94Å; M702-R706 VanDerWaalsContact O-N 3.15Å; Y703-R706 WeakPolarHBondContact O-CB 3.44Å; Y703-R706 PolarHBondContact O-N 2.96Å; N704-R706 VanDerWaalsContact C-N 3.34Å; N704-R706 PolarHBondContact O-N 3.15Å; R706-R709 PolarHBondContact O-N 3.42Å; R706-L787 VanDerWaalsContact CZ-O 3.23Å; R706-L787 PolarHBondContact NE-O 3.4Å; R706-L787 PolarHBondContact NH2-O 3.27Å; R706-S788 PolarHBondContact NH2-O 3.31Å
707	I	94.4	Very high	93.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-48.8	177.7	-66.3	169.8	0	0	0	110.9	L635 L636 L638 F640 L685 I689 Y703 N704 R709 V710	L635-I707 HydrophobicContact CD1-CD1 3.9Å; L635-I707 HydrophobicContact CG-CD1 4.41Å; L636-I707 HydrophobicContact CB-CG2 4.26Å; L638-I707 HydrophobicContact CB-CG2 3.64Å; L638-I707 HydrophobicContact CD1-CG2 3.98Å; L638-I707 HydrophobicContact CG-CG2 4.27Å; F640-I707 HydrophobicContact CD1-CD1 4.27Å; F640-I707 HydrophobicContact CD1-CG1 3.77Å; F640-I707 HydrophobicContact CD1-CG2 4.4Å; F640-I707 HydrophobicContact CE1-CD1 4.1Å; F640-I707 HydrophobicContact CE1-CG1 3.95Å; L685-I707 HydrophobicContact CD2-CG1 4.25Å; I689-I707 HydrophobicContact CD1-CD1 4.36Å; Y703-I707 VanDerWaalsContact O-CG1 3.3Å; Y703-I707 WeakPolarHBondContact O-CG1 3.48Å; Y703-I707 PolarHBondContact O-N 3.47Å; N704-I707 PolarHBondContact O-N 3.08Å; I707-R709 VanDerWaalsContact C-N 3.25Å; I707-R709 PolarHBondContact O-N 2.8Å; I707-V710 WeakPolarHBondContact O-CB 3.46Å; I707-V710 WeakPolarHBondContact O-CG2 3.19Å; I707-V710 PolarHBondContact O-N 2.77Å
708	M	92.9	Very high	93.2	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-59.7	-35.7	179.6	-71.8	168.2	63.7	0	0	112.5	V499 L636 N704 V710	V499-M708 HydrophobicContact CG2-CE 3.93Å; V499-M708 HydrophobicContact CG2-SD 3.94Å; L636-M708 HydrophobicContact CD1-CG 3.47Å; L636-M708 VanDerWaalsContact CD1-CG 3.47Å; L636-M708 HydrophobicContact CD1-SD 3.89Å; N704-M708 VanDerWaalsContact O-CG 3.31Å; N704-M708 WeakPolarHBondContact O-CG 3.5Å; N704-M708 PolarHBondContact O-N 2.97Å; M708-V710 VanDerWaalsContact C-N 3.25Å; M708-V710 PolarHBondContact O-N 3.12Å
709	R	90.7	Very high	93.2	Very high	90 Å²	90	35.8 Å²	35.8	34%	0.34	16%	0.159	S	C	.	.	H	α-helix	trans	-66.8	-22.7	-179.8	-79.1	171.6	178	-172.7	2.5	113.9	V705 R706 I707 E711 F712 Y713	V705-R709 WeakPolarHBondContact O-CB 3.43Å; V705-R709 WeakPolarHBondContact O-CD 3.37Å; V705-R709 VanDerWaalsContact O-CG 3.22Å; V705-R709 WeakPolarHBondContact O-CG 3.46Å; V705-R709 PolarHBondContact O-N 3.43Å; R706-R709 PolarHBondContact O-N 3.42Å; I707-R709 VanDerWaalsContact C-N 3.25Å; I707-R709 PolarHBondContact O-N 2.8Å; R709-E711 VanDerWaalsContact C-N 3.33Å; R709-E711 PolarHBondContact O-N 2.88Å; R709-F712 PolarHBondContact O-N 2.8Å; R709-F712 VanDerWaalsContact O-N 3.14Å; R709-Y713 HydrophobicContact CB-CD2 3.94Å; R709-Y713 HydrophobicContact CB-CE2 3.91Å; R709-Y713 HydrophobicContact CG-CE2 4.13Å; R709-Y713 VanDerWaalsContact O-CD2 3.28Å; R709-Y713 WeakPolarHBondContact O-CD2 3.33Å; R709-Y713 PolarHBondContact O-N 2.91Å; R709-Y713 VanDerWaalsContact O-N 3.1Å
710	V	93.7	Very high	92.8	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.036	16%	0.162	C	C	.	.	H	α-helix	trans	-53.9	-49.9	-172.9	172.1	0	0	0	0	111.9	L521 F640 Y643 Y678 I707 M708 F712 Y713 F714 L787	L521-V710 HydrophobicContact CD1-CB 4.33Å; L521-V710 HydrophobicContact CD1-CG1 4.3Å; L521-V710 HydrophobicContact CD2-CG1 4.03Å; F640-V710 HydrophobicContact CB-CG1 4.38Å; F640-V710 HydrophobicContact CB-CG2 3.84Å; Y643-V710 HydrophobicContact CD2-CG1 3.84Å; Y643-V710 HydrophobicContact CE2-CG1 4.26Å; Y678-V710 VanDerWaalsContact OH-CG1 3.27Å; Y678-V710 WeakPolarHBondContact OH-CG1 3.03Å; I707-V710 WeakPolarHBondContact O-CB 3.46Å; I707-V710 WeakPolarHBondContact O-CG2 3.19Å; I707-V710 PolarHBondContact O-N 2.77Å; M708-V710 VanDerWaalsContact C-N 3.25Å; M708-V710 PolarHBondContact O-N 3.12Å; V710-F712 PolarHBondContact O-N 3.37Å; V710-Y713 PolarHBondContact O-N 3.25Å; V710-F714 HydrophobicContact CG1-CD2 4.26Å; V710-F714 HydrophobicContact CG1-CE2 3.76Å; V710-F714 WeakPolarHBondContact O-CD2 3.31Å; V710-L787 HydrophobicContact CG2-CD1 3.68Å
711	E	94.8	Very high	92.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-42.1	-178.8	-163.1	77.3	-142.4	0	0	111.8	S519 L521 T572 G576 P578 Y643 R709 Y713 F714 H728	S519-E711 WeakPolarHBondContact CB-OE2 3.47Å; S519-E711 PolarHBondContact OG-OE1 2.96Å; S519-E711 PolarHBondContact OG-OE2 2.91Å; L521-E711 HydrophobicContact CD1-CB 4.07Å; L521-E711 WeakPolarHBondContact CD1-OE2 3.3Å; L521-E711 WeakPolarHBondContact CG-OE2 3.27Å; T572-E711 HydrophobicContact CG2-CG 4.3Å; T572-E711 VanDerWaalsContact CG2-OE1 3.23Å; T572-E711 WeakPolarHBondContact CG2-OE1 3.41Å; G576-E711 CarbonylContact O-C 3.51Å; G576-E711 WeakPolarHBondContact O-CB 3.36Å; P578-E711 HydrophobicContact CB-CG 4.32Å; Y643-E711 VanDerWaalsContact OH-CD 3.28Å; Y643-E711 PolarHBondContact OH-OE1 3.32Å; Y643-E711 PolarHBondContact OH-OE2 2.98Å; R709-E711 VanDerWaalsContact C-N 3.33Å; R709-E711 PolarHBondContact O-N 2.88Å; E711-Y713 PolarHBondContact O-N 2.74Å; E711-F714 PolarHBondContact O-N 2.84Å; E711-H728 IonicContact OE1-CE1 2.91Å; E711-H728 IonicContact OE1-NE2 3.87Å; E711-H728 PolarHBondContact OE1-NE2 3.38Å
712	F	94.9	Very high	91.4	Very high	22 Å²	22	35.3 Å²	35.3	10%	0.096	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-41.5	179.5	177.2	-98	0	0	0	113.4	H495 V575 G576 R709 V710 F714 L715	H495-F712 HydrophobicContact CB-CB 3.88Å; H495-F712 HydrophobicContact CB-CD2 3.73Å; H495-F712 HydrophobicContact CB-CG 4Å; H495-F712 AromaticContact CD2-CD1 3.75Å; H495-F712 AromaticContact CD2-CD2 3.72Å; H495-F712 AromaticContact CD2-CG 3.45Å; H495-F712 VanDerWaalsContact CD2-CG 3.45Å; H495-F712 WeakPolarHBondContact CD2-CG 3.43Å; H495-F712 AromaticContact CE1-CD2 3.84Å; H495-F712 AromaticContact CE1-CE1 3.98Å; H495-F712 AromaticContact CE1-CE2 3.57Å; H495-F712 AromaticContact CE1-CZ 3.65Å; H495-F712 AromaticContact CG-CD2 3.33Å; H495-F712 AromaticContact CG-CE2 3.85Å; H495-F712 AromaticContact CG-CG 3.54Å; H495-F712 AromaticContact ND1-CD2 3.42Å; H495-F712 WeakPolarHBondContact ND1-CD2 3.38Å; H495-F712 AromaticContact ND1-CE2 3.42Å; H495-F712 WeakPolarHBondContact ND1-CE2 3.35Å; H495-F712 AromaticContact ND1-CG 3.99Å; H495-F712 AromaticContact ND1-CZ 4Å; H495-F712 AromaticContact NE2-CD1 3.76Å; H495-F712 AromaticContact NE2-CE1 3.81Å; H495-F712 AromaticContact NE2-CG 3.88Å; H495-F712 AromaticContact NE2-CZ 3.96Å; V575-F712 WeakPolarHBondContact O-CD2 3.3Å; G576-F712 PolarHBondContact O-N 2.71Å; G576-F712 VanDerWaalsContact O-N 3.16Å; R709-F712 PolarHBondContact O-N 2.8Å; R709-F712 VanDerWaalsContact O-N 3.14Å; V710-F712 PolarHBondContact O-N 3.37Å; F712-F714 PolarHBondContact O-N 3.47Å; F712-L715 HydrophobicContact CD2-CD1 3.96Å; F712-L715 HydrophobicContact CE2-CD1 4.17Å; F712-L715 VanDerWaalsContact O-CB 3.22Å; F712-L715 WeakPolarHBondContact O-CB 3.5Å; F712-L715 WeakPolarHBondContact O-CG 3.4Å; F712-L715 PolarHBondContact O-N 3.36Å
713	Y	94.3	Very high	90.7	Very high	70 Å²	70	36.7 Å²	36.7	28%	0.275	19%	0.185	S	C	.	.	H	α-helix	trans	-74.1	-6.9	-179	-78.6	-83.5	0	0	0	113.8	R709 V710 E711 L715 A786	R709-Y713 HydrophobicContact CB-CD2 3.94Å; R709-Y713 HydrophobicContact CB-CE2 3.91Å; R709-Y713 HydrophobicContact CG-CE2 4.13Å; R709-Y713 VanDerWaalsContact O-CD2 3.28Å; R709-Y713 WeakPolarHBondContact O-CD2 3.33Å; R709-Y713 PolarHBondContact O-N 2.91Å; R709-Y713 VanDerWaalsContact O-N 3.1Å; V710-Y713 PolarHBondContact O-N 3.25Å; E711-Y713 PolarHBondContact O-N 2.74Å; Y713-L715 VanDerWaalsContact C-N 3.3Å; Y713-A786 HydrophobicContact CD1-CB 3.73Å; Y713-A786 HydrophobicContact CD2-CB 3.31Å; Y713-A786 HydrophobicContact CE1-CB 3.79Å; Y713-A786 HydrophobicContact CE2-CB 3.42Å; Y713-A786 VanDerWaalsContact CE2-CB 3.42Å; Y713-A786 HydrophobicContact CG-CB 3.49Å; Y713-A786 VanDerWaalsContact CG-CB 3.49Å
714	F	95.6	Very high	90.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.1	165.6	-72.7	-60.4	0	0	0	113.6	Y643 Y678 V710 E711 F712 H728 I729 F730 L780 A783	Y643-F714 HydrophobicContact CD1-CD2 4.1Å; Y643-F714 AromaticContact CD1-CE2 3.7Å; Y643-F714 HydrophobicContact CD1-CE2 3.7Å; Y643-F714 AromaticContact CD1-CZ 3.95Å; Y643-F714 HydrophobicContact CD1-CZ 3.95Å; Y643-F714 AromaticContact CD2-CD2 3.83Å; Y643-F714 HydrophobicContact CD2-CD2 3.83Å; Y643-F714 AromaticContact CD2-CE2 3.31Å; Y643-F714 HydrophobicContact CD2-CE2 3.31Å; Y643-F714 HydrophobicContact CD2-CZ 4.17Å; Y643-F714 HydrophobicContact CE1-CD2 4.05Å; Y643-F714 HydrophobicContact CE1-CE2 4.13Å; Y643-F714 AromaticContact CE2-CD2 3.73Å; Y643-F714 HydrophobicContact CE2-CD2 3.73Å; Y643-F714 AromaticContact CE2-CE2 3.74Å; Y643-F714 HydrophobicContact CE2-CE2 3.74Å; Y643-F714 HydrophobicContact CG-CD2 4.01Å; Y643-F714 AromaticContact CG-CE2 3.28Å; Y643-F714 HydrophobicContact CG-CE2 3.28Å; Y643-F714 AromaticContact CG-CZ 3.69Å; Y643-F714 HydrophobicContact CG-CZ 3.69Å; Y643-F714 AromaticContact CZ-CD2 3.87Å; Y678-F714 HydrophobicContact CD2-CZ 4.09Å; Y678-F714 AromaticContact CE2-CE2 3.99Å; Y678-F714 HydrophobicContact CE2-CE2 3.99Å; Y678-F714 AromaticContact CE2-CZ 3.53Å; Y678-F714 HydrophobicContact CE2-CZ 3.53Å; Y678-F714 AromaticContact CZ-CZ 3.81Å; V710-F714 HydrophobicContact CG1-CD2 4.26Å; V710-F714 HydrophobicContact CG1-CE2 3.76Å; V710-F714 WeakPolarHBondContact O-CD2 3.31Å; E711-F714 PolarHBondContact O-N 2.84Å; F712-F714 PolarHBondContact O-N 3.47Å; F714-H728 VanDerWaalsContact CB-NE2 3.29Å; F714-H728 WeakPolarHBondContact CB-NE2 3.39Å; F714-H728 WeakPolarHBondContact O-CA 3.49Å; F714-I729 HydrophobicContact CB-CG1 4.38Å; F714-I729 HydrophobicContact CD1-CD1 3.68Å; F714-I729 HydrophobicContact CD1-CG1 4.12Å; F714-I729 HydrophobicContact CE1-CD1 4.3Å; F714-I729 PolarHBondContact O-N 3.11Å; F714-F730 HydrophobicContact CB-CE2 4.44Å; F714-F730 HydrophobicContact CD1-CD2 4.39Å; F714-F730 AromaticContact CD1-CE2 3.5Å; F714-F730 HydrophobicContact CD1-CE2 3.5Å; F714-F730 VanDerWaalsContact CD1-CE2 3.5Å; F714-F730 HydrophobicContact CD1-CZ 4.21Å; F714-F730 HydrophobicContact CD2-CE2 4.45Å; F714-F730 AromaticContact CE1-CE2 3.71Å; F714-F730 HydrophobicContact CE1-CE2 3.71Å; F714-F730 HydrophobicContact CE1-CZ 4.09Å; F714-F730 HydrophobicContact CG-CD2 4.46Å; F714-F730 AromaticContact CG-CE2 3.89Å; F714-F730 HydrophobicContact CG-CE2 3.89Å; F714-F730 HydrophobicContact CZ-CE2 4.3Å; F714-L780 HydrophobicContact CE1-CD1 3.83Å; F714-A783 HydrophobicContact CD1-CB 4.07Å; F714-A783 HydrophobicContact CE1-CB 3.8Å; F714-A783 HydrophobicContact CE2-CB 4.47Å; F714-A783 HydrophobicContact CZ-CB 4.02Å
715	L	95.3	Very high	89.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-74.2	128.4	161.3	-56.4	-176.7	0	0	0	109.9	A573 F712 Y713 Q717 R727 H728	A573-L715 WeakPolarHBondContact O-CD2 3.48Å; F712-L715 HydrophobicContact CD2-CD1 3.96Å; F712-L715 HydrophobicContact CE2-CD1 4.17Å; F712-L715 VanDerWaalsContact O-CB 3.22Å; F712-L715 WeakPolarHBondContact O-CB 3.5Å; F712-L715 WeakPolarHBondContact O-CG 3.4Å; F712-L715 PolarHBondContact O-N 3.36Å; Y713-L715 VanDerWaalsContact C-N 3.3Å; L715-Q717 PolarHBondContact O-N 3.42Å; L715-Q717 VanDerWaalsContact O-N 3.13Å; L715-Q717 PolarHBondContact O-NE2 3.29Å; L715-R727 HydrophobicContact CB-CB 4.12Å; L715-R727 HydrophobicContact CD2-CB 4.26Å; L715-H728 HydrophobicContact CD2-CB 3.67Å
716	S	94.9	Very high	89.8	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.			trans	-61.3	117.2	172.5	175	0	0	0	0	110.4	Y718 R727	S716-Y718 PolarHBondContact O-N 3.14Å; S716-Y718 PolarHBondContact OG-N 3.23Å; S716-R727 PolarHBondContact N-O 3.27Å
717	Q	91.3	Very high	89.8	Confident	90 Å²	90	38 Å²	38	42%	0.421	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.6	177.6	-55.3	-58.6	-48.4	0	0	112.6	L715	L715-Q717 PolarHBondContact O-N 3.42Å; L715-Q717 VanDerWaalsContact O-N 3.13Å; L715-Q717 PolarHBondContact O-NE2 3.29Å
718	Y	92.6	Very high	89.8	Confident	128 Å²	128	37.9 Å²	37.9	50%	0.502	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-0	-173.1	-56.5	-73.6	0	0	0	113.3	S716 L775 W778	S716-Y718 PolarHBondContact O-N 3.14Å; S716-Y718 PolarHBondContact OG-N 3.23Å; Y718-L775 HydrophobicContact CD2-CD2 4.15Å; Y718-L775 HydrophobicContact CG-CD2 3.87Å; Y718-W778 HydrophobicContact CE2-CB 3.69Å; Y718-W778 WeakPolarHBondContact OH-CB 3.33Å
719	V	89.8	Confident	89.9	Confident	31 Å²	31	37.7 Å²	37.7	19%	0.188	19%	0.194	C	C	.	.	S	Bend	trans	-122.8	142.3	177	-66.2	0	0	0	0	110.6	R727 H736	V719-R727 HydrophobicContact CG2-CB 4.16Å; V719-R727 HydrophobicContact CG2-CG 3.66Å; V719-R727 WeakPolarHBondContact O-CD 3.43Å; V719-H736 HydrophobicContact CG1-CB 4.2Å
720	S	84.6	Confident	90	Very high	53 Å²	53	35.1 Å²	35.1	37%	0.371	19%	0.186	S	C	.	.			trans	-72.8	133.9	179.5	179.8	0	0	0	0	110.6	A722 D723 S724	S720-A722 PolarHBondContact O-N 3.47Å; S720-A722 PolarHBondContact OG-N 2.87Å; S720-D723 WeakPolarHBondContact CB-OD2 3.2Å; S720-D723 PolarHBondContact O-N 2.85Å; S720-S724 PolarHBondContact O-N 2.96Å
721	P	79.6	Confident	89.9	Confident	35 Å²	35	36.3 Å²	36.3	23%	0.227	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.7	171.2	-20.3	29.8	0	0	0	113.5	L491 F574 P725	L491-P721 HydrophobicContact CD2-CB 3.9Å; L491-P721 HydrophobicContact CD2-CG 4.04Å; F574-P721 HydrophobicContact CE2-CB 4.29Å; P721-P725 WeakPolarHBondContact O-CA 3.27Å
722	A	75.2	Confident	89.7	Confident	47 Å²	47	36.9 Å²	36.9	39%	0.388	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-34.5	178.7	0	0	0	0	0	112.5	S720	S720-A722 PolarHBondContact O-N 3.47Å; S720-A722 PolarHBondContact OG-N 2.87Å
723	D	77	Confident	89.4	Confident	119 Å²	119	39.8 Å²	39.8	64%	0.636	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-35.8	-179.4	-61.2	-39.6	0	0	0	112.2	S720	S720-D723 WeakPolarHBondContact CB-OD2 3.2Å; S720-D723 PolarHBondContact O-N 2.85Å
724	S	84.4	Confident	89.1	Confident	33 Å²	33	37.9 Å²	37.9	23%	0.231	21%	0.208	C	C	.	.			trans	-141.7	82.8	-176.6	-67.4	0	0	0	0	108.7	S720 F726 R727	S720-S724 PolarHBondContact O-N 2.96Å; S724-F726 VanDerWaalsContact C-N 3.32Å; S724-F726 PolarHBondContact O-N 2.71Å; S724-R727 WeakPolarHBondContact O-CG 3.26Å
725	P	84.4	Confident	88.8	Confident	38 Å²	38	40.3 Å²	40.3	25%	0.247	22%	0.221	C	C	.	.	S	Bend	trans	-60.2	-43.2	-175.1	20.9	-32	0	0	0	111.6	F574 P721 R727	F574-P725 HydrophobicContact CD2-CB 3.61Å; F574-P725 VanDerWaalsContact CD2-O 3.3Å; F574-P725 WeakPolarHBondContact CD2-O 3.37Å; F574-P725 HydrophobicContact CE2-CB 3.66Å; P721-P725 WeakPolarHBondContact O-CA 3.27Å; P725-R727 WeakPolarHBondContact O-CG 3.21Å; P725-R727 PolarHBondContact O-N 2.95Å
726	F	92	Very high	88.7	Confident	9 Å²	9	40.3 Å²	40.3	4%	0.039	22%	0.222	C	C	.	.			trans	-80.8	79.7	-178.4	-51.8	-53.2	0	0	0	111.8	T324 M564 Y569 A573 F574 S724 G732 R733 H736	T324-F726 HydrophobicContact CG2-CE1 3.51Å; T324-F726 HydrophobicContact CG2-CZ 3.62Å; M564-F726 HydrophobicContact CG-CE2 4.25Å; M564-F726 HydrophobicContact CG-CZ 4.46Å; M564-F726 HydrophobicContact SD-CE2 4.38Å; Y569-F726 HydrophobicContact CD1-CD1 4.24Å; Y569-F726 AromaticContact CD1-CE1 3.98Å; Y569-F726 HydrophobicContact CD1-CE1 3.98Å; Y569-F726 HydrophobicContact CD1-CZ 4.41Å; Y569-F726 HydrophobicContact CE1-CB 4.49Å; Y569-F726 AromaticContact CE1-CD1 3.51Å; Y569-F726 HydrophobicContact CE1-CD1 3.51Å; Y569-F726 HydrophobicContact CE1-CD2 4.12Å; Y569-F726 AromaticContact CE1-CE1 3.56Å; Y569-F726 HydrophobicContact CE1-CE1 3.56Å; Y569-F726 HydrophobicContact CE1-CE2 4.16Å; Y569-F726 AromaticContact CE1-CG 3.8Å; Y569-F726 HydrophobicContact CE1-CG 3.8Å; Y569-F726 AromaticContact CE1-CZ 3.89Å; Y569-F726 HydrophobicContact CE1-CZ 3.89Å; A573-F726 HydrophobicContact CB-CB 4.25Å; A573-F726 HydrophobicContact CB-CD1 3.97Å; A573-F726 HydrophobicContact CB-CG 4.47Å; A573-F726 CarbonylContact O-C 3.58Å; A573-F726 WeakPolarHBondContact O-CA 3.35Å; F574-F726 HydrophobicContact CB-CD1 4.48Å; S724-F726 VanDerWaalsContact C-N 3.32Å; S724-F726 PolarHBondContact O-N 2.71Å; F726-G732 CarbonylContact O-C 3.47Å; F726-G732 WeakPolarHBondContact O-CA 3.37Å; F726-R733 PolarHBondContact O-N 3.23Å; F726-H736 PolarHBondContact O-NE2 3.46Å; F726-H736 VanDerWaalsContact O-NE2 3.16Å
727	R	92.9	Very high	88.6	Confident	19 Å²	19	40.7 Å²	40.7	7%	0.072	22%	0.224	C	C	.	.			trans	-83.1	-10.4	-171.1	-62.9	-179.3	-66.5	146.3	2.1	114.7	A573 F574 L715 S716 V719 S724 P725 I729 H736	A573-R727 PolarHBondContact O-N 3.23Å; F574-R727 PolarHBondContact O-NH2 3.19Å; L715-R727 HydrophobicContact CB-CB 4.12Å; L715-R727 HydrophobicContact CD2-CB 4.26Å; S716-R727 PolarHBondContact N-O 3.27Å; V719-R727 HydrophobicContact CG2-CB 4.16Å; V719-R727 HydrophobicContact CG2-CG 3.66Å; V719-R727 WeakPolarHBondContact O-CD 3.43Å; S724-R727 WeakPolarHBondContact O-CG 3.26Å; P725-R727 WeakPolarHBondContact O-CG 3.21Å; P725-R727 PolarHBondContact O-N 2.95Å; R727-I729 PolarHBondContact O-N 3.42Å; R727-H736 WeakPolarHBondContact CA-NE2 3.09Å; R727-H736 PolarHBondContact O-CD2 2.76Å; R727-H736 PolarHBondContact O-NE2 3Å
728	H	95.5	Very high	88.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-62.7	128.3	-177.1	-163	-106.4	0	0	0	112.3	A573 Y643 E711 F714 L715 F730 M731 G732	A573-H728 HydrophobicContact CB-CB 4.42Å; A573-H728 PolarHBondContact O-N 3.46Å; Y643-H728 PolarHBondContact OH-CE1 3.18Å; Y643-H728 PolarHBondContact OH-NE2 2.81Å; E711-H728 IonicContact OE1-CE1 2.91Å; E711-H728 IonicContact OE1-NE2 3.87Å; E711-H728 PolarHBondContact OE1-NE2 3.38Å; F714-H728 VanDerWaalsContact CB-NE2 3.29Å; F714-H728 WeakPolarHBondContact CB-NE2 3.39Å; F714-H728 WeakPolarHBondContact O-CA 3.49Å; L715-H728 HydrophobicContact CD2-CB 3.67Å; H728-F730 VanDerWaalsContact C-N 3.27Å; H728-F730 AromaticContact CE1-CD2 3.66Å; H728-F730 PolarHBondContact O-N 3.12Å; H728-M731 HydrophobicContact CB-CB 4.49Å; H728-M731 PolarHBondContact ND1-N 3.31Å; H728-G732 WeakPolarHBondContact O-CA 3.33Å; H728-G732 PolarHBondContact O-N 2.81Å
729	I	95.1	Very high	88.4	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.4	-172.2	61.4	172.3	0	0	0	114	F714 R727 T737 L738 L776 T779	F714-I729 HydrophobicContact CB-CG1 4.38Å; F714-I729 HydrophobicContact CD1-CD1 3.68Å; F714-I729 HydrophobicContact CD1-CG1 4.12Å; F714-I729 HydrophobicContact CE1-CD1 4.3Å; F714-I729 PolarHBondContact O-N 3.11Å; R727-I729 PolarHBondContact O-N 3.42Å; I729-T737 WeakPolarHBondContact O-CA 3.35Å; I729-L738 PolarHBondContact O-N 3.08Å; I729-L776 HydrophobicContact CB-CD1 3.99Å; I729-L776 HydrophobicContact CD1-CD1 3.91Å; I729-L776 HydrophobicContact CG1-CD1 4.43Å; I729-L776 HydrophobicContact CG2-CD1 4.38Å; I729-T779 HydrophobicContact CD1-CG2 4.48Å; I729-T779 HydrophobicContact CG2-CG2 3.61Å
730	F	92.7	Very high	88.3	Confident	37 Å²	37	31.6 Å²	31.6	16%	0.162	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-38.5	179.7	-57.4	-69.5	0	0	0	113.4	Y643 V646 V647 H650 F714 H728	Y643-F730 HydrophobicContact CD1-CD2 4.06Å; Y643-F730 AromaticContact CD1-CE2 3.55Å; Y643-F730 HydrophobicContact CD1-CE2 3.55Å; Y643-F730 HydrophobicContact CD1-CZ 4.2Å; Y643-F730 AromaticContact CE1-CD2 3.55Å; Y643-F730 HydrophobicContact CE1-CD2 3.55Å; Y643-F730 AromaticContact CE1-CE2 3.52Å; Y643-F730 HydrophobicContact CE1-CE2 3.52Å; V646-F730 HydrophobicContact CG1-CD1 4.01Å; V646-F730 HydrophobicContact CG1-CE1 4.06Å; V646-F730 HydrophobicContact CG1-CG 4.41Å; V646-F730 HydrophobicContact CG1-CZ 4.48Å; V647-F730 HydrophobicContact CG2-CE1 3.96Å; V647-F730 HydrophobicContact CG2-CZ 3.51Å; H650-F730 AromaticContact CD2-CD1 3.84Å; F714-F730 HydrophobicContact CB-CE2 4.44Å; F714-F730 HydrophobicContact CD1-CD2 4.39Å; F714-F730 AromaticContact CD1-CE2 3.5Å; F714-F730 HydrophobicContact CD1-CE2 3.5Å; F714-F730 VanDerWaalsContact CD1-CE2 3.5Å; F714-F730 HydrophobicContact CD1-CZ 4.21Å; F714-F730 HydrophobicContact CD2-CE2 4.45Å; F714-F730 AromaticContact CE1-CE2 3.71Å; F714-F730 HydrophobicContact CE1-CE2 3.71Å; F714-F730 HydrophobicContact CE1-CZ 4.09Å; F714-F730 HydrophobicContact CG-CD2 4.46Å; F714-F730 AromaticContact CG-CE2 3.89Å; F714-F730 HydrophobicContact CG-CE2 3.89Å; F714-F730 HydrophobicContact CZ-CE2 4.3Å; H728-F730 VanDerWaalsContact C-N 3.27Å; H728-F730 AromaticContact CE1-CD2 3.66Å; H728-F730 PolarHBondContact O-N 3.12Å
731	M	90.5	Very high	88.6	Confident	31 Å²	31	29.1 Å²	29.1	15%	0.153	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-16.8	-168.6	-59.9	177.6	67.5	0	0	112.5	L562 Y569 T572 H728	L562-M731 HydrophobicContact CB-CE 3.44Å; L562-M731 VanDerWaalsContact CB-CE 3.44Å; L562-M731 HydrophobicContact CD1-CE 3.78Å; L562-M731 HydrophobicContact CG-CE 3.87Å; Y569-M731 HydrophobicContact CD2-CE 4.43Å; Y569-M731 HydrophobicContact CE2-CB 4.26Å; Y569-M731 WeakPolarHBondContact CE2-O 3.44Å; Y569-M731 VanDerWaalsContact CZ-O 3.29Å; Y569-M731 PolarHBondContact OH-O 3.31Å; T572-M731 HydrophobicContact CG2-CE 4.49Å; T572-M731 HydrophobicContact CG2-SD 3.82Å; H728-M731 HydrophobicContact CB-CB 4.49Å; H728-M731 PolarHBondContact ND1-N 3.31Å
732	G	91.8	Very high	89.1	Confident	11 Å²	11	28 Å²	28	11%	0.113	17%	0.171	C	C	.	.	S	Bend	trans	-75.6	-169.1	-178.5	0	0	0	0	0	113.1	F726 H728 T737	F726-G732 CarbonylContact O-C 3.47Å; F726-G732 WeakPolarHBondContact O-CA 3.37Å; H728-G732 WeakPolarHBondContact O-CA 3.33Å; H728-G732 PolarHBondContact O-N 2.81Å; G732-T737 VanDerWaalsContact C-CG2 3.49Å
733	R	87.6	Confident	89.7	Confident	83 Å²	83	29.9 Å²	29.9	31%	0.313	18%	0.175	S	C	.	.			trans	-137.3	137.1	-179.7	-61.9	-175.5	73.8	166.9	-2	110.2	M564 F726 H736	M564-R733 PolarHBondContact SD-NH1 3.33Å; F726-R733 PolarHBondContact O-N 3.23Å; R733-H736 PolarHBondContact O-CE1 3.11Å
734	G	88.3	Confident	90.3	Very high	30 Å²	30	24.6 Å²	24.6	31%	0.309	15%	0.146	S	C	.	.	S	Bend	trans	130.3	177	-179.8	0	0	0	0	0	113	H736 T737 A740	G734-H736 PolarHBondContact O-N 2.98Å; G734-T737 WeakPolarHBondContact O-CB 3.27Å; G734-T737 WeakPolarHBondContact O-CG2 3.44Å; G734-T737 PolarHBondContact O-N 3.47Å; G734-T737 PolarHBondContact O-OG1 3.07Å; G734-A740 WeakPolarHBondContact O-CB 3.49Å
735	D	90.3	Very high	90.6	Very high	51 Å²	51	23 Å²	23	27%	0.273	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.1	-175.1	-89.2	-3.7	0	0	0	114	T737 R768 Q772	D735-T737 PolarHBondContact O-N 2.98Å; D735-R768 IonicContact OD1-CZ 3.54Å; D735-R768 IonicContact OD1-NE 2.74Å; D735-R768 PolarHBondContact OD1-NE 3.11Å; D735-R768 IonicContact OD1-NH2 3.77Å; D735-R768 PolarHBondContact OD1-NH2 3.35Å; D735-R768 IonicContact OD2-CZ 2.7Å; D735-R768 IonicContact OD2-NE 3.34Å; D735-R768 PolarHBondContact OD2-NE 3.03Å; D735-R768 IonicContact OD2-NH2 2.88Å; D735-Q772 HydrophobicContact CB-CG 3.99Å; D735-Q772 WeakPolarHBondContact O-CB 3.14Å; D735-Q772 WeakPolarHBondContact O-CG 3.43Å; D735-Q772 PolarHBondContact OD1-NE2 3.45Å
736	H	92.4	Very high	90.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.7	174.6	55.9	-77.3	0	0	0	113.7	V719 F726 R727 R733 G734 L775	V719-H736 HydrophobicContact CG1-CB 4.2Å; F726-H736 PolarHBondContact O-NE2 3.46Å; F726-H736 VanDerWaalsContact O-NE2 3.16Å; R727-H736 WeakPolarHBondContact CA-NE2 3.09Å; R727-H736 PolarHBondContact O-CD2 2.76Å; R727-H736 PolarHBondContact O-NE2 3Å; R733-H736 PolarHBondContact O-CE1 3.11Å; G734-H736 PolarHBondContact O-N 2.98Å; H736-L775 HydrophobicContact CB-CB 4.35Å; H736-L775 HydrophobicContact CB-CD1 4.36Å
737	T	92.5	Very high	90.5	Very high	8 Å²	8	29.4 Å²	29.4	5%	0.049	16%	0.157	C	C	.	.	S	Bend	trans	-86.4	151.7	-173.6	67.5	0	0	0	0	112.5	I729 G732 G734 D735 G739 A740 L741	I729-T737 WeakPolarHBondContact O-CA 3.35Å; G732-T737 VanDerWaalsContact C-CG2 3.49Å; G734-T737 WeakPolarHBondContact O-CB 3.27Å; G734-T737 WeakPolarHBondContact O-CG2 3.44Å; G734-T737 PolarHBondContact O-N 3.47Å; G734-T737 PolarHBondContact O-OG1 3.07Å; D735-T737 PolarHBondContact O-N 2.98Å; T737-G739 VanDerWaalsContact C-N 3.31Å; T737-G739 PolarHBondContact O-N 3.42Å; T737-A740 PolarHBondContact O-N 3.26Å; T737-A740 VanDerWaalsContact OG1-CB 3.26Å; T737-A740 WeakPolarHBondContact OG1-CB 3.45Å; T737-A740 PolarHBondContact OG1-N 3.03Å; T737-L741 PolarHBondContact O-N 3.34Å
738	L	90.6	Very high	90	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-67.6	-33.9	175.7	-172.2	144	0	0	0	111.8	H650 I729 L741 L742 L776	H650-L738 HydrophobicContact CB-CD1 3.52Å; H650-L738 HydrophobicContact CB-CD2 3.51Å; H650-L738 HydrophobicContact CB-CG 4.17Å; H650-L738 VanDerWaalsContact CG-CD2 3.44Å; H650-L738 VanDerWaalsContact ND1-CD2 3.31Å; H650-L738 WeakPolarHBondContact ND1-CD2 3.5Å; I729-L738 PolarHBondContact O-N 3.08Å; L738-L741 WeakPolarHBondContact O-CB 3.32Å; L738-L741 PolarHBondContact O-N 2.78Å; L738-L742 HydrophobicContact CD2-CD1 3.56Å; L738-L742 HydrophobicContact CD2-CG 4.2Å; L738-L742 PolarHBondContact O-N 3.22Å; L738-L776 HydrophobicContact CB-CD1 4.01Å; L738-L776 HydrophobicContact CB-CD2 4.39Å; L738-L776 HydrophobicContact CD1-CD1 4.3Å; L738-L776 HydrophobicContact CD1-CD2 4Å; L738-L776 HydrophobicContact CG-CD2 4.26Å
739	G	88.9	Confident	89.3	Confident	34 Å²	34	34.4 Å²	34.4	35%	0.351	18%	0.177	S	C	.	.	H	α-helix	trans	-58.8	-49.9	173.5	0	0	0	0	0	111.9	T737 L741 L742 D743	T737-G739 VanDerWaalsContact C-N 3.31Å; T737-G739 PolarHBondContact O-N 3.42Å; G739-L741 VanDerWaalsContact C-N 3.28Å; G739-L741 PolarHBondContact O-N 2.84Å; G739-L742 WeakPolarHBondContact O-CB 3.36Å; G739-L742 PolarHBondContact O-N 3.37Å; G739-L742 VanDerWaalsContact O-N 3.13Å; G739-D743 PolarHBondContact O-N 3.4Å
740	A	88.8	Confident	88	Confident	19 Å²	19	37.2 Å²	37.2	16%	0.157	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-35	177.5	0	0	0	0	0	113	G734 T737 H744	G734-A740 WeakPolarHBondContact O-CB 3.49Å; T737-A740 PolarHBondContact O-N 3.26Å; T737-A740 VanDerWaalsContact OG1-CB 3.26Å; T737-A740 WeakPolarHBondContact OG1-CB 3.45Å; T737-A740 PolarHBondContact OG1-N 3.03Å; A740-H744 WeakPolarHBondContact O-CB 3.35Å; A740-H744 PolarHBondContact O-N 2.9Å
741	L	91.3	Very high	86.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-45.2	174.4	-173.6	73	0	0	0	111.7	L654 T737 L738 G739 H744 L745 F769 Q772 L773 L776	L654-L741 HydrophobicContact CD1-CD2 4.24Å; L654-L741 HydrophobicContact CD2-CD2 4.06Å; L654-L741 HydrophobicContact CD2-CG 4.37Å; T737-L741 PolarHBondContact O-N 3.34Å; L738-L741 WeakPolarHBondContact O-CB 3.32Å; L738-L741 PolarHBondContact O-N 2.78Å; G739-L741 VanDerWaalsContact C-N 3.28Å; G739-L741 PolarHBondContact O-N 2.84Å; L741-H744 PolarHBondContact O-N 3.12Å; L741-L745 WeakPolarHBondContact O-CG 3.32Å; L741-L745 PolarHBondContact O-N 2.8Å; L741-L745 VanDerWaalsContact O-N 3.07Å; L741-F769 HydrophobicContact CD1-CD2 3.59Å; L741-F769 HydrophobicContact CD1-CE2 3.29Å; L741-F769 HydrophobicContact CD1-CZ 4.08Å; L741-F769 HydrophobicContact CG-CE2 3.94Å; L741-Q772 HydrophobicContact CD1-CB 3.68Å; L741-L773 HydrophobicContact CD1-CB 4.18Å; L741-L773 HydrophobicContact CD2-CD1 4.1Å; L741-L776 HydrophobicContact CD2-CD2 3.59Å
742	L	90.1	Very high	84	Confident	13 Å²	13	42.7 Å²	42.7	7%	0.068	24%	0.237	C	C	.	.	H	α-helix	trans	-63.9	-44.9	176.6	-78.9	169.1	0	0	0	111.7	N653 L654 L738 G739 H744 L745 R746	N653-L742 HydrophobicContact CB-CD1 4.33Å; N653-L742 HydrophobicContact CB-CD2 3.83Å; L654-L742 HydrophobicContact CD2-CD2 3.41Å; L654-L742 VanDerWaalsContact CD2-CD2 3.41Å; L654-L742 HydrophobicContact CD2-CG 3.89Å; L654-L742 HydrophobicContact CG-CD2 3.93Å; L738-L742 HydrophobicContact CD2-CD1 3.56Å; L738-L742 HydrophobicContact CD2-CG 4.2Å; L738-L742 PolarHBondContact O-N 3.22Å; G739-L742 WeakPolarHBondContact O-CB 3.36Å; G739-L742 PolarHBondContact O-N 3.37Å; G739-L742 VanDerWaalsContact O-N 3.13Å; L742-H744 VanDerWaalsContact C-N 3.28Å; L742-H744 PolarHBondContact O-N 3.11Å; L742-L745 WeakPolarHBondContact O-CB 3.28Å; L742-L745 PolarHBondContact O-N 3.08Å; L742-L745 VanDerWaalsContact O-N 3.12Å; L742-R746 WeakPolarHBondContact O-CG 3.36Å; L742-R746 PolarHBondContact O-N 3.28Å
743	D	87.4	Confident	81.7	Confident	86 Å²	86	46.2 Å²	46.2	46%	0.46	26%	0.259	S	S	.	.	H	α-helix	trans	-61.6	-39.4	178.1	-69.7	-26.1	0	0	0	111.7	G739 L745 R746	G739-D743 PolarHBondContact O-N 3.4Å; D743-L745 PolarHBondContact O-N 3.07Å; D743-R746 WeakPolarHBondContact O-CB 3.36Å; D743-R746 PolarHBondContact O-N 2.86Å; D743-R746 IonicContact OD1-CZ 3.78Å; D743-R746 IonicContact OD1-NH1 3.77Å; D743-R746 PolarHBondContact OD1-NH1 2.88Å
744	H	89.6	Confident	79.3	Confident	8 Å²	8	45.9 Å²	45.9	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-64.9	-39.8	174.5	-159.7	167.7	0	0	0	111.8	A740 L741 L742 R746 L747 F764 Q765 F769 Q772	A740-H744 WeakPolarHBondContact O-CB 3.35Å; A740-H744 PolarHBondContact O-N 2.9Å; L741-H744 PolarHBondContact O-N 3.12Å; L742-H744 VanDerWaalsContact C-N 3.28Å; L742-H744 PolarHBondContact O-N 3.11Å; H744-R746 VanDerWaalsContact C-N 3.32Å; H744-R746 PolarHBondContact O-N 3.49Å; H744-L747 VanDerWaalsContact O-CB 3.27Å; H744-L747 WeakPolarHBondContact O-CB 2.99Å; H744-L747 PolarHBondContact O-N 3.26Å; H744-F764 AromaticContact CD2-CD2 3.55Å; H744-F764 AromaticContact NE2-CD2 3.81Å; H744-F764 WeakPolarHBondContact O-CD2 3.25Å; H744-Q765 PolarHBondContact CE1-O 3.46Å; H744-Q765 PolarHBondContact NE2-N 3.5Å; H744-Q765 PolarHBondContact NE2-O 3.29Å; H744-F769 PolarHBondContact CE1-N 3.3Å; H744-Q772 PolarHBondContact ND1-OE1 3.46Å
745	L	89.3	Confident	76.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-36.2	175.5	-75.7	172	0	0	0	113.1	L654 F657 L661 L741 L742 D743 L747 L748 F764 F769	L654-L745 HydrophobicContact CD2-CD1 3.4Å; L654-L745 VanDerWaalsContact CD2-CD1 3.4Å; F657-L745 HydrophobicContact CB-CD1 4.37Å; F657-L745 HydrophobicContact CB-CD2 4.38Å; F657-L745 HydrophobicContact CD1-CB 4.12Å; F657-L745 HydrophobicContact CD2-CB 4.16Å; F657-L745 HydrophobicContact CD2-CD1 4.31Å; F657-L745 HydrophobicContact CE1-CB 4.29Å; F657-L745 WeakPolarHBondContact CE1-O 3.23Å; F657-L745 HydrophobicContact CE2-CB 4.36Å; F657-L745 HydrophobicContact CG-CB 4.04Å; F657-L745 HydrophobicContact CG-CD1 4.41Å; F657-L745 HydrophobicContact CZ-CB 4.42Å; L661-L745 HydrophobicContact CD2-CD2 3.83Å; L661-L745 HydrophobicContact CG-CD2 4.29Å; L741-L745 WeakPolarHBondContact O-CG 3.32Å; L741-L745 PolarHBondContact O-N 2.8Å; L741-L745 VanDerWaalsContact O-N 3.07Å; L742-L745 WeakPolarHBondContact O-CB 3.28Å; L742-L745 PolarHBondContact O-N 3.08Å; L742-L745 VanDerWaalsContact O-N 3.12Å; D743-L745 PolarHBondContact O-N 3.07Å; L745-L747 PolarHBondContact O-N 2.93Å; L745-L747 VanDerWaalsContact O-N 3.16Å; L745-L748 HydrophobicContact CD2-CD1 3.78Å; L745-L748 VanDerWaalsContact O-CB 3.24Å; L745-L748 WeakPolarHBondContact O-CB 3.29Å; L745-L748 PolarHBondContact O-N 3.24Å; L745-F764 HydrophobicContact CD2-CE2 4.44Å; L745-F769 HydrophobicContact CD1-CE2 3.95Å; L745-F769 HydrophobicContact CD1-CZ 4.41Å; L745-F769 HydrophobicContact CD2-CD2 4.02Å; L745-F769 HydrophobicContact CD2-CE2 3.38Å; L745-F769 HydrophobicContact CD2-CZ 3.75Å; L745-F769 HydrophobicContact CG-CD2 4.2Å; L745-F769 HydrophobicContact CG-CE2 3.52Å; L745-F769 HydrophobicContact CG-CZ 4.25Å
746	R	88.6	Confident	74.1	Confident	142 Å²	142	53.6 Å²	53.6	54%	0.536	33%	0.328	S	S	.	.	H	α-helix	trans	-58.2	-28.3	176	-69.5	168.6	179.5	162.9	-8.8	112.1	F657 L742 D743 H744 L748 R749 S750	F657-R746 HydrophobicContact CZ-CG 3.99Å; L742-R746 WeakPolarHBondContact O-CG 3.36Å; L742-R746 PolarHBondContact O-N 3.28Å; D743-R746 WeakPolarHBondContact O-CB 3.36Å; D743-R746 PolarHBondContact O-N 2.86Å; D743-R746 IonicContact OD1-CZ 3.78Å; D743-R746 IonicContact OD1-NH1 3.77Å; D743-R746 PolarHBondContact OD1-NH1 2.88Å; H744-R746 VanDerWaalsContact C-N 3.32Å; H744-R746 PolarHBondContact O-N 3.49Å; R746-L748 PolarHBondContact O-N 3.24Å; R746-R749 PolarHBondContact O-N 3.06Å; R746-R749 VanDerWaalsContact O-N 3.08Å; R746-S750 PolarHBondContact O-N 3.39Å
747	L	85.8	Confident	71.6	Confident	38 Å²	38	57.2 Å²	57.2	20%	0.199	37%	0.365	C	S	.	.	H	α-helix	trans	-62.8	-19.7	174.5	-57.1	-180	0	0	0	114	H744 L745 R749 S750 A762 F764	H744-L747 VanDerWaalsContact O-CB 3.27Å; H744-L747 WeakPolarHBondContact O-CB 2.99Å; H744-L747 PolarHBondContact O-N 3.26Å; L745-L747 PolarHBondContact O-N 2.93Å; L745-L747 VanDerWaalsContact O-N 3.16Å; L747-R749 VanDerWaalsContact C-N 3.28Å; L747-R749 PolarHBondContact O-N 3.05Å; L747-S750 WeakPolarHBondContact CA-OG 3.42Å; L747-S750 PolarHBondContact O-OG 2.85Å; L747-A762 HydrophobicContact CD1-CB 3.97Å; L747-A762 HydrophobicContact CD2-CB 4.17Å; L747-F764 HydrophobicContact CB-CB 4.2Å
748	L	83.5	Confident	69	Low	25 Å²	25	60.1 Å²	60.1	13%	0.131	39%	0.389	C	S	.	.	H	α-helix	trans	-66.1	-33.4	174.1	-70.1	169.4	0	0	0	112	D660 L745 R746 F764	D660-L748 HydrophobicContact CB-CD1 4.01Å; L745-L748 HydrophobicContact CD2-CD1 3.78Å; L745-L748 VanDerWaalsContact O-CB 3.24Å; L745-L748 WeakPolarHBondContact O-CB 3.29Å; L745-L748 PolarHBondContact O-N 3.24Å; R746-L748 PolarHBondContact O-N 3.24Å; L748-F764 HydrophobicContact CD1-CD2 4.27Å; L748-F764 HydrophobicContact CD1-CE2 4Å; L748-F764 HydrophobicContact CD1-CZ 4.32Å; L748-F764 HydrophobicContact CD2-CB 4.04Å; L748-F764 HydrophobicContact CD2-CD1 3.56Å; L748-F764 HydrophobicContact CD2-CD2 3.67Å; L748-F764 HydrophobicContact CD2-CE1 3.87Å; L748-F764 HydrophobicContact CD2-CE2 3.97Å; L748-F764 HydrophobicContact CD2-CG 3.46Å; L748-F764 VanDerWaalsContact CD2-CG 3.46Å; L748-F764 HydrophobicContact CD2-CZ 4.06Å; L748-F764 HydrophobicContact CG-CB 4.5Å; L748-F764 HydrophobicContact CG-CD1 4.43Å; L748-F764 HydrophobicContact CG-CD2 3.62Å; L748-F764 HydrophobicContact CG-CE2 3.86Å; L748-F764 HydrophobicContact CG-CG 3.93Å; L748-F764 HydrophobicContact CG-CZ 4.37Å
749	R	80.6	Confident	66.5	Low	100 Å²	100	66.4 Å²	66.4	38%	0.377	43%	0.428	S	S	.	.	H	α-helix	trans	-96.1	-31.4	-174.9	-65.6	-176	180	172.1	-1.8	112.7	E656 F657 D660 R746 L747 N751 S752	E656-R749 PolarHBondContact O-NH2 3.41Å; F657-R749 HydrophobicContact CD1-CG 4.47Å; F657-R749 HydrophobicContact CE1-CG 4Å; D660-R749 IonicContact OD2-CZ 3.37Å; D660-R749 IonicContact OD2-NE 3.05Å; D660-R749 PolarHBondContact OD2-NE 2.83Å; D660-R749 IonicContact OD2-NH2 3.37Å; D660-R749 PolarHBondContact OD2-NH2 3.36Å; R746-R749 PolarHBondContact O-N 3.06Å; R746-R749 VanDerWaalsContact O-N 3.08Å; L747-R749 VanDerWaalsContact C-N 3.28Å; L747-R749 PolarHBondContact O-N 3.05Å; R749-N751 PolarHBondContact O-N 3.02Å; R749-S752 PolarHBondContact O-N 3.09Å; R749-S752 VanDerWaalsContact O-N 3.12Å; R749-S752 PolarHBondContact O-OG 3.28Å
750	S	66.8	Low	64.3	Low	60 Å²	60	67.6 Å²	67.6	42%	0.42	43%	0.431	S	S	.	.	H	α-helix	trans	-63.1	-29.2	178.3	61.3	0	0	0	0	113.4	R746 L747 S752 S753	R746-S750 PolarHBondContact O-N 3.39Å; L747-S750 WeakPolarHBondContact CA-OG 3.42Å; L747-S750 PolarHBondContact O-OG 2.85Å; S750-S752 VanDerWaalsContact C-N 3.28Å; S750-S752 PolarHBondContact O-N 3.28Å; S750-S753 PolarHBondContact O-OG 2.86Å; S750-S753 VanDerWaalsContact O-OG 3.14Å
751	N	53.4	Low	62.3	Low	83 Å²	83	72.6 Å²	72.6	44%	0.444	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-7	177	-79.1	-13.2	0	0	0	114.5	R749	R749-N751 PolarHBondContact O-N 3.02Å
752	S	46.7	Very low	60.8	Low	100 Å²	100	75 Å²	75	70%	0.699	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-14	-178.1	68.6	0	0	0	0	113.8	R749 S750 G754	R749-S752 PolarHBondContact O-N 3.09Å; R749-S752 VanDerWaalsContact O-N 3.12Å; R749-S752 PolarHBondContact O-OG 3.28Å; S750-S752 VanDerWaalsContact C-N 3.28Å; S750-S752 PolarHBondContact O-N 3.28Å; S752-G754 PolarHBondContact O-N 2.62Å
753	S	43.8	Very low	60.2	Low	84 Å²	84	78.2 Å²	78.2	59%	0.587	51%	0.505	S	S	*	.	S	Bend	trans	-86.4	88.3	168.7	54.8	0	0	0	0	109.8	S750 T755	S750-S753 PolarHBondContact O-OG 2.86Å; S750-S753 VanDerWaalsContact O-OG 3.14Å; S753-T755 PolarHBondContact O-N 3.46Å
754	G	37	Very low	60.2	Low	77 Å²	77	75 Å²	75	79%	0.794	49%	0.487	S	S	*	.			trans	-66.3	86	-174	0	0	0	0	0	115.5	S752	S752-G754 PolarHBondContact O-N 2.62Å
755	T	36.9	Very low	60.2	Low	109 Å²	109	79.7 Å²	79.7	67%	0.669	51%	0.509	S	S	*	.			trans	-95.7	110.2	160.6	20.7	0	0	0	0	110.1	S753 G757	S753-T755 PolarHBondContact O-N 3.46Å; T755-G757 PolarHBondContact O-N 3.06Å
756	P	32.4	Very low	60.3	Low	134 Å²	134	82.9 Å²	82.9	87%	0.87	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	111.7	177.9	28.7	-29.7	0	0	0	109.3
757	G	39.4	Very low	60.4	Low	76 Å²	76	80 Å²	80	78%	0.784	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	137.3	-9.4	174.7	0	0	0	0	0	115.7	T755 T759	T755-G757 PolarHBondContact O-N 3.06Å; G757-T759 PolarHBondContact O-N 3.06Å
758	A	37.8	Very low	60.8	Low	69 Å²	69	83.2 Å²	83.2	57%	0.57	54%	0.535	S	S	*	.			trans	-76.5	108.6	172.7	0	0	0	0	0	109.7	S760	A758-S760 PolarHBondContact O-N 3.02Å
759	T	38.2	Very low	61.2	Low	137 Å²	137	82 Å²	82	84%	0.84	53%	0.529	S	S	*	.			trans	-65.9	77.3	156	43.3	0	0	0	0	108.2	G757 S761	G757-T759 PolarHBondContact O-N 3.06Å; T759-S761 PolarHBondContact O-N 3.32Å
760	S	42.8	Very low	61.8	Low	59 Å²	59	82.9 Å²	82.9	41%	0.413	53%	0.532	S	S	.	.			trans	-72.3	103.4	173.1	58.2	0	0	0	0	108.5	A758 A762	A758-S760 PolarHBondContact O-N 3.02Å; S760-A762 PolarHBondContact O-N 3.26Å; S760-A762 VanDerWaalsContact O-N 3.16Å
761	S	47	Very low	63.1	Low	125 Å²	125	87.8 Å²	87.8	87%	0.874	54%	0.541	S	S	*	.	S	Bend	trans	-68.9	-3.1	179.4	56.7	0	0	0	0	114.4	T759	T759-S761 PolarHBondContact O-N 3.32Å
762	A	60	Low	65	Low	49 Å²	49	83.9 Å²	83.9	41%	0.405	52%	0.521	S	S	.	.			trans	-123	87	178.8	0	0	0	0	0	111.5	L747 S760	L747-A762 HydrophobicContact CD1-CB 3.97Å; L747-A762 HydrophobicContact CD2-CB 4.17Å; S760-A762 PolarHBondContact O-N 3.26Å; S760-A762 VanDerWaalsContact O-N 3.16Å
763	V	77.7	Confident	67.2	Low	82 Å²	82	79.7 Å²	79.7	50%	0.497	49%	0.49	S	S	.	.			trans	-82.8	141.9	168.3	178.7	0	0	0	0	108.7	Q765	V763-Q765 PolarHBondContact O-N 3.19Å; V763-Q765 VanDerWaalsContact O-N 3.11Å
764	F	86.8	Confident	69.6	Low	19 Å²	19	77.6 Å²	77.6	8%	0.083	48%	0.478	C	S	.	.			trans	-55.6	117.5	170.6	177.2	-93.9	0	0	0	110.5	H744 L745 L747 L748 E766 F769	H744-F764 AromaticContact CD2-CD2 3.55Å; H744-F764 AromaticContact NE2-CD2 3.81Å; H744-F764 WeakPolarHBondContact O-CD2 3.25Å; L745-F764 HydrophobicContact CD2-CE2 4.44Å; L747-F764 HydrophobicContact CB-CB 4.2Å; L748-F764 HydrophobicContact CD1-CD2 4.27Å; L748-F764 HydrophobicContact CD1-CE2 4Å; L748-F764 HydrophobicContact CD1-CZ 4.32Å; L748-F764 HydrophobicContact CD2-CB 4.04Å; L748-F764 HydrophobicContact CD2-CD1 3.56Å; L748-F764 HydrophobicContact CD2-CD2 3.67Å; L748-F764 HydrophobicContact CD2-CE1 3.87Å; L748-F764 HydrophobicContact CD2-CE2 3.97Å; L748-F764 HydrophobicContact CD2-CG 3.46Å; L748-F764 VanDerWaalsContact CD2-CG 3.46Å; L748-F764 HydrophobicContact CD2-CZ 4.06Å; L748-F764 HydrophobicContact CG-CB 4.5Å; L748-F764 HydrophobicContact CG-CD1 4.43Å; L748-F764 HydrophobicContact CG-CD2 3.62Å; L748-F764 HydrophobicContact CG-CE2 3.86Å; L748-F764 HydrophobicContact CG-CG 3.93Å; L748-F764 HydrophobicContact CG-CZ 4.37Å; F764-E766 HydrophobicContact CE1-CB 4.05Å; F764-E766 HydrophobicContact CE1-CG 4.5Å; F764-F769 HydrophobicContact CE2-CB 3.96Å; F764-F769 HydrophobicContact CE2-CD2 4.12Å; F764-F769 AromaticContact CE2-CG 3.99Å; F764-F769 HydrophobicContact CE2-CG 3.99Å; F764-F769 HydrophobicContact CZ-CB 3.83Å; F764-F769 HydrophobicContact CZ-CD1 4.22Å; F764-F769 HydrophobicContact CZ-CD2 4.44Å; F764-F769 AromaticContact CZ-CG 3.89Å; F764-F769 HydrophobicContact CZ-CG 3.89Å
765	Q	90.1	Very high	72.3	Confident	105 Å²	105	75.3 Å²	75.3	49%	0.491	45%	0.447	S	S	.	.			trans	-108.9	106.2	179.4	-72.1	-179.3	13.3	0	0	110.1	H744 V763 S767 R768 F769	H744-Q765 PolarHBondContact CE1-O 3.46Å; H744-Q765 PolarHBondContact NE2-N 3.5Å; H744-Q765 PolarHBondContact NE2-O 3.29Å; V763-Q765 PolarHBondContact O-N 3.19Å; V763-Q765 VanDerWaalsContact O-N 3.11Å; Q765-S767 VanDerWaalsContact C-N 3.29Å; Q765-S767 PolarHBondContact O-N 2.94Å; Q765-R768 HydrophobicContact CB-CB 4.11Å; Q765-R768 PolarHBondContact O-N 3.44Å; Q765-R768 VanDerWaalsContact O-N 3.17Å; Q765-F769 PolarHBondContact O-N 2.98Å
766	E	90.6	Very high	75	Confident	67 Å²	67	70.3 Å²	70.3	31%	0.313	42%	0.417	S	S	.	.	H	α-helix	trans	-59	-38.2	-176.6	-170.2	179.8	141.1	0	0	113.2	L666 F764 R768 F769 R770	L666-E766 HydrophobicContact CD1-CG 4.29Å; F764-E766 HydrophobicContact CE1-CB 4.05Å; F764-E766 HydrophobicContact CE1-CG 4.5Å; E766-R768 PolarHBondContact O-N 2.96Å; E766-F769 PolarHBondContact O-N 3.02Å; E766-R770 HydrophobicContact CG-CG 4.41Å; E766-R770 WeakPolarHBondContact O-CB 3.45Å; E766-R770 WeakPolarHBondContact O-CG 3.29Å; E766-R770 PolarHBondContact O-N 3.21Å; E766-R770 IonicContact OE1-CZ 3.64Å; E766-R770 IonicContact OE1-NE 2.62Å; E766-R770 PolarHBondContact OE1-NE 3.39Å; E766-R770 IonicContact OE1-NH2 3.51Å; E766-R770 PolarHBondContact OE1-NH2 2.93Å
767	S	91.9	Very high	77.9	Confident	83 Å²	83	64.6 Å²	64.6	58%	0.58	38%	0.379	S	S	*	.	H	α-helix	trans	-63.2	-41.4	178.8	56.9	0	0	0	0	112.5	Q765 R771	Q765-S767 VanDerWaalsContact C-N 3.29Å; Q765-S767 PolarHBondContact O-N 2.94Å; S767-R771 PolarHBondContact O-N 3.15Å
768	R	92.8	Very high	80.5	Confident	105 Å²	105	68.5 Å²	68.5	40%	0.396	37%	0.37	S	S	.	.	H	α-helix	trans	-68.8	-44.5	174.5	173.9	-177.7	-174	-162.8	-1.2	110.4	D735 Q765 E766 R770 R771 Q772	D735-R768 IonicContact OD1-CZ 3.54Å; D735-R768 IonicContact OD1-NE 2.74Å; D735-R768 PolarHBondContact OD1-NE 3.11Å; D735-R768 IonicContact OD1-NH2 3.77Å; D735-R768 PolarHBondContact OD1-NH2 3.35Å; D735-R768 IonicContact OD2-CZ 2.7Å; D735-R768 IonicContact OD2-NE 3.34Å; D735-R768 PolarHBondContact OD2-NE 3.03Å; D735-R768 IonicContact OD2-NH2 2.88Å; Q765-R768 HydrophobicContact CB-CB 4.11Å; Q765-R768 PolarHBondContact O-N 3.44Å; Q765-R768 VanDerWaalsContact O-N 3.17Å; E766-R768 PolarHBondContact O-N 2.96Å; R768-R770 PolarHBondContact O-N 3.36Å; R768-R771 WeakPolarHBondContact O-CB 3.45Å; R768-R771 PolarHBondContact O-N 2.74Å; R768-R771 VanDerWaalsContact O-N 3.11Å; R768-Q772 HydrophobicContact CG-CG 4.32Å; R768-Q772 VanDerWaalsContact O-CG 3.31Å; R768-Q772 WeakPolarHBondContact O-CG 3.34Å; R768-Q772 PolarHBondContact O-N 3.48Å
769	F	92.4	Very high	83.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-57.3	-46.9	176.1	176.3	-97.7	0	0	0	112.4	L661 L666 L741 H744 L745 F764 Q765 E766 R771 Q772 L773	L661-F769 HydrophobicContact CD2-CE1 3.63Å; L661-F769 HydrophobicContact CD2-CZ 3.66Å; L666-F769 HydrophobicContact CD1-CD1 3.84Å; L666-F769 HydrophobicContact CD1-CE1 3.87Å; L741-F769 HydrophobicContact CD1-CD2 3.59Å; L741-F769 HydrophobicContact CD1-CE2 3.29Å; L741-F769 HydrophobicContact CD1-CZ 4.08Å; L741-F769 HydrophobicContact CG-CE2 3.94Å; H744-F769 PolarHBondContact CE1-N 3.3Å; L745-F769 HydrophobicContact CD1-CE2 3.95Å; L745-F769 HydrophobicContact CD1-CZ 4.41Å; L745-F769 HydrophobicContact CD2-CD2 4.02Å; L745-F769 HydrophobicContact CD2-CE2 3.38Å; L745-F769 HydrophobicContact CD2-CZ 3.75Å; L745-F769 HydrophobicContact CG-CD2 4.2Å; L745-F769 HydrophobicContact CG-CE2 3.52Å; L745-F769 HydrophobicContact CG-CZ 4.25Å; F764-F769 HydrophobicContact CE2-CB 3.96Å; F764-F769 HydrophobicContact CE2-CD2 4.12Å; F764-F769 AromaticContact CE2-CG 3.99Å; F764-F769 HydrophobicContact CE2-CG 3.99Å; F764-F769 HydrophobicContact CZ-CB 3.83Å; F764-F769 HydrophobicContact CZ-CD1 4.22Å; F764-F769 HydrophobicContact CZ-CD2 4.44Å; F764-F769 AromaticContact CZ-CG 3.89Å; F764-F769 HydrophobicContact CZ-CG 3.89Å; Q765-F769 PolarHBondContact O-N 2.98Å; E766-F769 PolarHBondContact O-N 3.02Å; F769-R771 VanDerWaalsContact C-N 3.26Å; F769-R771 PolarHBondContact O-N 3Å; F769-Q772 PolarHBondContact O-N 3.29Å; F769-L773 HydrophobicContact CE1-CD2 4.15Å; F769-L773 HydrophobicContact CZ-CD2 4.47Å; F769-L773 WeakPolarHBondContact O-CB 3.47Å; F769-L773 PolarHBondContact O-N 2.67Å
770	R	92.6	Very high	85.9	Confident	118 Å²	118	59 Å²	59	45%	0.445	31%	0.305	S	S	.	.	H	α-helix	trans	-58.1	-39.2	176.4	-74.5	175.8	-179.2	-84.6	0.1	112	L666 E766 R768 A774	L666-R770 HydrophobicContact CD2-CG 3.88Å; E766-R770 HydrophobicContact CG-CG 4.41Å; E766-R770 WeakPolarHBondContact O-CB 3.45Å; E766-R770 WeakPolarHBondContact O-CG 3.29Å; E766-R770 PolarHBondContact O-N 3.21Å; E766-R770 IonicContact OE1-CZ 3.64Å; E766-R770 IonicContact OE1-NE 2.62Å; E766-R770 PolarHBondContact OE1-NE 3.39Å; E766-R770 IonicContact OE1-NH2 3.51Å; E766-R770 PolarHBondContact OE1-NH2 2.93Å; R768-R770 PolarHBondContact O-N 3.36Å; R770-A774 WeakPolarHBondContact O-CB 3.33Å; R770-A774 PolarHBondContact O-N 3.38Å
771	R	93.9	Very high	88.3	Confident	162 Å²	162	57.5 Å²	57.5	61%	0.611	29%	0.292	S	S	*	.	H	α-helix	trans	-66.4	-49.1	176	-170.8	-173.8	-55.3	178.5	2.9	111.6	S767 R768 F769 L773 A774 L775	S767-R771 PolarHBondContact O-N 3.15Å; R768-R771 WeakPolarHBondContact O-CB 3.45Å; R768-R771 PolarHBondContact O-N 2.74Å; R768-R771 VanDerWaalsContact O-N 3.11Å; F769-R771 VanDerWaalsContact C-N 3.26Å; F769-R771 PolarHBondContact O-N 3Å; R771-L773 VanDerWaalsContact C-N 3.32Å; R771-L773 PolarHBondContact O-N 3.25Å; R771-A774 PolarHBondContact O-N 3.5Å; R771-L775 HydrophobicContact CG-CD1 4.08Å; R771-L775 HydrophobicContact CG-CG 4.4Å; R771-L775 VanDerWaalsContact O-CG 3.27Å; R771-L775 WeakPolarHBondContact O-CG 3.28Å; R771-L775 PolarHBondContact O-N 2.93Å
772	Q	94.1	Very high	90.4	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.009	26%	0.261	C	S	.	.	H	α-helix	trans	-58.1	-46.1	178	-64.2	175.6	-43.1	0	0	110.9	D735 L741 H744 R768 F769 A774 L775 L776	D735-Q772 HydrophobicContact CB-CG 3.99Å; D735-Q772 WeakPolarHBondContact O-CB 3.14Å; D735-Q772 WeakPolarHBondContact O-CG 3.43Å; D735-Q772 PolarHBondContact OD1-NE2 3.45Å; L741-Q772 HydrophobicContact CD1-CB 3.68Å; H744-Q772 PolarHBondContact ND1-OE1 3.46Å; R768-Q772 HydrophobicContact CG-CG 4.32Å; R768-Q772 VanDerWaalsContact O-CG 3.31Å; R768-Q772 WeakPolarHBondContact O-CG 3.34Å; R768-Q772 PolarHBondContact O-N 3.48Å; F769-Q772 PolarHBondContact O-N 3.29Å; Q772-A774 PolarHBondContact O-N 2.75Å; Q772-L775 PolarHBondContact O-N 3.03Å; Q772-L776 WeakPolarHBondContact O-CB 3.33Å; Q772-L776 PolarHBondContact O-N 2.95Å
773	L	93.1	Very high	92	Very high	12 Å²	12	50.5 Å²	50.5	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-43.8	176.4	-176.2	65.7	0	0	0	111.9	L668 V671 L741 F769 R771 T777	L668-L773 HydrophobicContact CD2-CD1 3.81Å; V671-L773 HydrophobicContact CG2-CD1 3.5Å; V671-L773 VanDerWaalsContact CG2-CD1 3.5Å; L741-L773 HydrophobicContact CD1-CB 4.18Å; L741-L773 HydrophobicContact CD2-CD1 4.1Å; F769-L773 HydrophobicContact CE1-CD2 4.15Å; F769-L773 HydrophobicContact CZ-CD2 4.47Å; F769-L773 WeakPolarHBondContact O-CB 3.47Å; F769-L773 PolarHBondContact O-N 2.67Å; R771-L773 VanDerWaalsContact C-N 3.32Å; R771-L773 PolarHBondContact O-N 3.25Å; L773-T777 VanDerWaalsContact O-CB 3.26Å; L773-T777 WeakPolarHBondContact O-CB 3.36Å; L773-T777 PolarHBondContact O-N 3.16Å; L773-T777 PolarHBondContact O-OG1 2.96Å
774	A	93.3	Very high	92.7	Very high	40 Å²	40	46.6 Å²	46.6	33%	0.331	22%	0.22	S	C	.	.	H	α-helix	trans	-64.1	-48	177.5	0	0	0	0	0	111.9	R770 R771 Q772 L776 T777 W778	R770-A774 WeakPolarHBondContact O-CB 3.33Å; R770-A774 PolarHBondContact O-N 3.38Å; R771-A774 PolarHBondContact O-N 3.5Å; Q772-A774 PolarHBondContact O-N 2.75Å; A774-L776 VanDerWaalsContact C-N 3.35Å; A774-L776 PolarHBondContact O-N 2.75Å; A774-T777 PolarHBondContact O-N 3.26Å; A774-W778 WeakPolarHBondContact O-CB 3.04Å; A774-W778 PolarHBondContact O-N 3.42Å
775	L	94.4	Very high	92.8	Very high	29 Å²	29	48.1 Å²	48.1	15%	0.152	23%	0.229	C	C	.	.	H	α-helix	trans	-57.8	-47.2	178.6	-68.4	169.9	0	0	0	111.4	Y718 H736 R771 Q772 T779	Y718-L775 HydrophobicContact CD2-CD2 4.15Å; Y718-L775 HydrophobicContact CG-CD2 3.87Å; H736-L775 HydrophobicContact CB-CB 4.35Å; H736-L775 HydrophobicContact CB-CD1 4.36Å; R771-L775 HydrophobicContact CG-CD1 4.08Å; R771-L775 HydrophobicContact CG-CG 4.4Å; R771-L775 VanDerWaalsContact O-CG 3.27Å; R771-L775 WeakPolarHBondContact O-CG 3.28Å; R771-L775 PolarHBondContact O-N 2.93Å; Q772-L775 PolarHBondContact O-N 3.03Å; L775-T779 WeakPolarHBondContact O-CB 3.38Å; L775-T779 PolarHBondContact O-N 2.9Å; L775-T779 PolarHBondContact O-OG1 3.46Å
776	L	93.3	Very high	92.7	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-60.4	-50.6	177.1	177.8	69.4	0	0	0	111.4	I729 L738 L741 Q772 A774 T779 L780	I729-L776 HydrophobicContact CB-CD1 3.99Å; I729-L776 HydrophobicContact CD1-CD1 3.91Å; I729-L776 HydrophobicContact CG1-CD1 4.43Å; I729-L776 HydrophobicContact CG2-CD1 4.38Å; L738-L776 HydrophobicContact CB-CD1 4.01Å; L738-L776 HydrophobicContact CB-CD2 4.39Å; L738-L776 HydrophobicContact CD1-CD1 4.3Å; L738-L776 HydrophobicContact CD1-CD2 4Å; L738-L776 HydrophobicContact CG-CD2 4.26Å; L741-L776 HydrophobicContact CD2-CD2 3.59Å; Q772-L776 WeakPolarHBondContact O-CB 3.33Å; Q772-L776 PolarHBondContact O-N 2.95Å; A774-L776 VanDerWaalsContact C-N 3.35Å; A774-L776 PolarHBondContact O-N 2.75Å; L776-T779 PolarHBondContact O-N 2.77Å; L776-L780 WeakPolarHBondContact O-CB 3.4Å; L776-L780 PolarHBondContact O-N 3.03Å
777	T	93.2	Very high	92.6	Very high	14 Å²	14	41 Å²	41	9%	0.086	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-49.9	-177.4	-60.7	0	0	0	0	111.3	W670 V671 A674 L773 A774 T779 L780 Q781	W670-T777 HydrophobicContact CB-CG2 3.54Å; V671-T777 WeakPolarHBondContact CG2-OG1 3.19Å; A674-T777 HydrophobicContact CB-CG2 4.47Å; L773-T777 VanDerWaalsContact O-CB 3.26Å; L773-T777 WeakPolarHBondContact O-CB 3.36Å; L773-T777 PolarHBondContact O-N 3.16Å; L773-T777 PolarHBondContact O-OG1 2.96Å; A774-T777 PolarHBondContact O-N 3.26Å; T777-T779 VanDerWaalsContact C-N 3.31Å; T777-T779 PolarHBondContact O-N 2.89Å; T777-L780 PolarHBondContact O-N 2.96Å; T777-Q781 WeakPolarHBondContact O-CB 3.29Å; T777-Q781 PolarHBondContact O-N 3.31Å
778	W	94.1	Very high	92.2	Very high	158 Å²	158	37.5 Å²	37.5	60%	0.598	17%	0.174	S	C	*	.	H	α-helix	trans	-69.2	-29.8	-178.2	-77.7	115.2	0	0	0	112.8	Y718 A774 G782	Y718-W778 HydrophobicContact CE2-CB 3.69Å; Y718-W778 WeakPolarHBondContact OH-CB 3.33Å; A774-W778 WeakPolarHBondContact O-CB 3.04Å; A774-W778 PolarHBondContact O-N 3.42Å; W778-G782 PolarHBondContact O-N 3.23Å
779	T	95.3	Very high	91.1	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.025	18%	0.181	C	C	.	.	H	α-helix	trans	-68.8	-46	172.9	-54.1	0	0	0	0	110.6	I729 L775 L776 T777 Q781 G782 A783	I729-T779 HydrophobicContact CD1-CG2 4.48Å; I729-T779 HydrophobicContact CG2-CG2 3.61Å; L775-T779 WeakPolarHBondContact O-CB 3.38Å; L775-T779 PolarHBondContact O-N 2.9Å; L775-T779 PolarHBondContact O-OG1 3.46Å; L776-T779 PolarHBondContact O-N 2.77Å; T777-T779 VanDerWaalsContact C-N 3.31Å; T777-T779 PolarHBondContact O-N 2.89Å; T779-Q781 VanDerWaalsContact C-N 3.33Å; T779-Q781 PolarHBondContact O-N 3.47Å; T779-G782 PolarHBondContact O-N 3.17Å; T779-G782 VanDerWaalsContact O-N 3.15Å; T779-A783 PolarHBondContact O-N 2.68Å
780	L	94.1	Very high	89.8	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-61.2	-41.4	175.6	-179.5	60.6	0	0	0	112	V647 V671 A674 R675 F714 L776 T777 A783 A784	V647-L780 HydrophobicContact CG1-CD2 3.85Å; V647-L780 HydrophobicContact CG2-CD1 3.87Å; V671-L780 HydrophobicContact CG1-CD2 4.48Å; A674-L780 HydrophobicContact CB-CB 4.13Å; A674-L780 HydrophobicContact CB-CD2 3.84Å; A674-L780 HydrophobicContact CB-CG 3.83Å; R675-L780 HydrophobicContact CB-CD2 4.21Å; F714-L780 HydrophobicContact CE1-CD1 3.83Å; L776-L780 WeakPolarHBondContact O-CB 3.4Å; L776-L780 PolarHBondContact O-N 3.03Å; T777-L780 PolarHBondContact O-N 2.96Å; L780-A783 PolarHBondContact O-N 3.21Å; L780-A784 PolarHBondContact O-N 3.11Å
781	Q	93.2	Very high	88	Confident	27 Å²	27	38 Å²	38	13%	0.126	21%	0.209	C	C	.	.	H	α-helix	trans	-63.3	-43.8	173.8	-169.8	67.3	45.4	0	0	111.2	A674 D677 T777 T779 A783 A784 N785	A674-Q781 VanDerWaalsContact CA-OE1 3.31Å; A674-Q781 HydrophobicContact CB-CB 4.21Å; D677-Q781 PolarHBondContact OD2-NE2 2.84Å; D677-Q781 PolarHBondContact OD2-OE1 2.93Å; T777-Q781 WeakPolarHBondContact O-CB 3.29Å; T777-Q781 PolarHBondContact O-N 3.31Å; T779-Q781 VanDerWaalsContact C-N 3.33Å; T779-Q781 PolarHBondContact O-N 3.47Å; Q781-A783 VanDerWaalsContact C-N 3.27Å; Q781-A783 PolarHBondContact O-N 3.2Å; Q781-A784 WeakPolarHBondContact O-CB 3.41Å; Q781-A784 PolarHBondContact O-N 3.22Å; Q781-A784 VanDerWaalsContact O-N 3.12Å; Q781-N785 PolarHBondContact NE2-OD1 2.92Å; Q781-N785 PolarHBondContact O-N 2.76Å; Q781-N785 PolarHBondContact O-OD1 3.35Å
782	G	91.9	Very high	86.4	Confident	23 Å²	23	40.3 Å²	40.3	24%	0.237	22%	0.218	C	C	.	.	H	α-helix	trans	-55.9	-42.4	175	0	0	0	0	0	112.4	W778 T779 N785 A786	W778-G782 PolarHBondContact O-N 3.23Å; T779-G782 PolarHBondContact O-N 3.17Å; T779-G782 VanDerWaalsContact O-N 3.15Å; G782-N785 PolarHBondContact O-N 2.95Å; G782-A786 WeakPolarHBondContact O-CB 3.49Å; G782-A786 PolarHBondContact O-N 3.28Å
783	A	93.3	Very high	84.4	Confident	3 Å²	3	44.5 Å²	44.5	3%	0.025	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-42.8	174.3	0	0	0	0	0	112.8	Y678 F714 T779 L780 Q781 A786 L787	Y678-A783 HydrophobicContact CD2-CB 4.27Å; Y678-A783 HydrophobicContact CE2-CB 4.33Å; F714-A783 HydrophobicContact CD1-CB 4.07Å; F714-A783 HydrophobicContact CE1-CB 3.8Å; F714-A783 HydrophobicContact CE2-CB 4.47Å; F714-A783 HydrophobicContact CZ-CB 4.02Å; T779-A783 PolarHBondContact O-N 2.68Å; L780-A783 PolarHBondContact O-N 3.21Å; Q781-A783 VanDerWaalsContact C-N 3.27Å; Q781-A783 PolarHBondContact O-N 3.2Å; A783-A786 PolarHBondContact O-N 3.12Å; A783-L787 WeakPolarHBondContact O-CB 2.95Å; A783-L787 PolarHBondContact O-N 2.9Å
784	A	92.6	Very high	82.7	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-45.5	174.5	0	0	0	0	0	111.9	D677 Y678 A681 L780 Q781 L787 S788	D677-A784 HydrophobicContact CB-CB 3.84Å; Y678-A784 HydrophobicContact CD2-CB 4.43Å; A681-A784 WeakPolarHBondContact CB-O 3.4Å; L780-A784 PolarHBondContact O-N 3.11Å; Q781-A784 WeakPolarHBondContact O-CB 3.41Å; Q781-A784 PolarHBondContact O-N 3.22Å; Q781-A784 VanDerWaalsContact O-N 3.12Å; A784-L787 PolarHBondContact O-N 3.13Å; A784-S788 PolarHBondContact O-N 2.85Å
785	N	89.2	Confident	80.8	Confident	50 Å²	50	48.3 Å²	48.3	27%	0.267	26%	0.255	S	S	.	.	H	α-helix	trans	-63.6	-44.5	-179.5	-60.7	2.5	0	0	0	111.5	Q781 G782 L787 S788 I794	Q781-N785 PolarHBondContact NE2-OD1 2.92Å; Q781-N785 PolarHBondContact O-N 2.76Å; Q781-N785 PolarHBondContact O-OD1 3.35Å; G782-N785 PolarHBondContact O-N 2.95Å; N785-L787 VanDerWaalsContact C-N 3.29Å; N785-L787 PolarHBondContact O-N 3.02Å; N785-S788 PolarHBondContact O-N 3.46Å; N785-I794 HydrophobicContact CB-CD1 3.9Å; N785-I794 WeakPolarHBondContact OD1-CD1 3.46Å
786	A	87.1	Confident	79	Confident	21 Å²	21	53.6 Å²	53.6	17%	0.174	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-36.1	177.2	0	0	0	0	0	112.3	Y713 G782 A783	Y713-A786 HydrophobicContact CD1-CB 3.73Å; Y713-A786 HydrophobicContact CD2-CB 3.31Å; Y713-A786 HydrophobicContact CE1-CB 3.79Å; Y713-A786 HydrophobicContact CE2-CB 3.42Å; Y713-A786 VanDerWaalsContact CE2-CB 3.42Å; Y713-A786 HydrophobicContact CG-CB 3.49Å; Y713-A786 VanDerWaalsContact CG-CB 3.49Å; G782-A786 WeakPolarHBondContact O-CB 3.49Å; G782-A786 PolarHBondContact O-N 3.28Å; A783-A786 PolarHBondContact O-N 3.12Å
787	L	88.9	Confident	77.2	Confident	3 Å²	3	60 Å²	60	2%	0.016	32%	0.318	C	S	.	.	H	α-helix	trans	-73.2	-34.6	178.6	-171	57.1	0	0	0	112.7	F640 Y678 A681 A682 L685 R706 V710 A783 A784 N785 G789	F640-L787 HydrophobicContact CD2-CD1 4.48Å; F640-L787 HydrophobicContact CD2-CD2 4.34Å; Y678-L787 HydrophobicContact CD2-CD2 4.34Å; Y678-L787 HydrophobicContact CE2-CD2 3.81Å; A681-L787 HydrophobicContact CB-CB 4.11Å; A681-L787 HydrophobicContact CB-CD2 4.35Å; A681-L787 HydrophobicContact CB-CG 4.22Å; A682-L787 HydrophobicContact CB-CD2 3.75Å; L685-L787 HydrophobicContact CD2-CD1 3.51Å; L685-L787 HydrophobicContact CD2-CG 4.48Å; R706-L787 VanDerWaalsContact CZ-O 3.23Å; R706-L787 PolarHBondContact NE-O 3.4Å; R706-L787 PolarHBondContact NH2-O 3.27Å; V710-L787 HydrophobicContact CG2-CD1 3.68Å; A783-L787 WeakPolarHBondContact O-CB 2.95Å; A783-L787 PolarHBondContact O-N 2.9Å; A784-L787 PolarHBondContact O-N 3.13Å; N785-L787 VanDerWaalsContact C-N 3.29Å; N785-L787 PolarHBondContact O-N 3.02Å; L787-G789 PolarHBondContact O-N 3.01Å
788	S	83.6	Confident	75.4	Confident	8 Å²	8	67.1 Å²	67.1	6%	0.056	35%	0.348	C	S	.	.	H	α-helix	trans	-63.5	-24.7	-179.7	-176.7	0	0	0	0	113.7	R706 A784 N785 D790	R706-S788 PolarHBondContact NH2-O 3.31Å; A784-S788 PolarHBondContact O-N 2.85Å; N785-S788 PolarHBondContact O-N 3.46Å; S788-D790 PolarHBondContact O-N 3.44Å; S788-D790 PolarHBondContact OG-O 2.87Å
789	G	68.9	Low	74.5	Confident	51 Å²	51	62.6 Å²	62.6	53%	0.526	34%	0.335	S	S	.	.	S	Bend	trans	77.9	-38.4	179.2	0	0	0	0	0	114.4	L787	L787-G789 PolarHBondContact O-N 3.01Å
790	D	65.4	Low	73.4	Confident	84 Å²	84	65.6 Å²	65.6	45%	0.449	35%	0.352	S	S	.	.	S	Bend	trans	-115.5	114	176	-152.4	-7.7	0	0	0	109.9	S788 W792 N793	S788-D790 PolarHBondContact O-N 3.44Å; S788-D790 PolarHBondContact OG-O 2.87Å; D790-W792 PolarHBondContact O-N 2.95Å; D790-W792 VanDerWaalsContact O-N 3.11Å; D790-N793 HydrophobicContact CB-CB 4.3Å; D790-N793 WeakPolarHBondContact CB-ND2 3.38Å; D790-N793 PolarHBondContact O-N 2.83Å; D790-N793 VanDerWaalsContact O-N 3.14Å
791	V	55.8	Low	72.2	Confident	99 Å²	99	69.1 Å²	69.1	60%	0.6	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-62.7	-23.7	-170.3	-178.2	0	0	0	0	111.8
792	W	59.3	Low	71	Confident	211 Å²	211	71.6 Å²	71.6	80%	0.799	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-88.8	-6.8	-177.5	-56.9	108	0	0	0	114.7	D790 I794	D790-W792 PolarHBondContact O-N 2.95Å; D790-W792 VanDerWaalsContact O-N 3.11Å; W792-I794 VanDerWaalsContact C-N 3.26Å; W792-I794 PolarHBondContact O-N 3.41Å
793	N	52.3	Low	69.7	Low	90 Å²	90	74.6 Å²	74.6	48%	0.481	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-86.7	10.7	-177.9	-91.2	-37	0	0	0	114	K684 D790	K684-N793 VanDerWaalsContact NZ-CG 3.27Å; K684-N793 PolarHBondContact NZ-ND2 3.32Å; D790-N793 HydrophobicContact CB-CB 4.3Å; D790-N793 WeakPolarHBondContact CB-ND2 3.38Å; D790-N793 PolarHBondContact O-N 2.83Å; D790-N793 VanDerWaalsContact O-N 3.14Å
794	I	57.2	Low	68.1	Low	29 Å²	29	79.4 Å²	79.4	15%	0.149	42%	0.418	C	S	.	.	S	Bend	trans	-92.7	136.4	180	-49.1	-177.1	0	0	0	107.9	N785 W792 N796	N785-I794 HydrophobicContact CB-CD1 3.9Å; N785-I794 WeakPolarHBondContact OD1-CD1 3.46Å; W792-I794 VanDerWaalsContact C-N 3.26Å; W792-I794 PolarHBondContact O-N 3.41Å; I794-N796 PolarHBondContact O-N 2.95Å
795	D	53.3	Low	66.3	Low	102 Å²	102	85 Å²	85	55%	0.545	45%	0.448	S	S	.	.			trans	-61.4	108.2	-173.8	-146.8	-18.6	0	0	0	109.4	N797	D795-N797 PolarHBondContact O-N 2.84Å
796	N	56.3	Low	64.6	Low	141 Å²	141	87.7 Å²	87.7	75%	0.754	46%	0.462	S	S	*	.			trans	-74.4	-2.3	179.6	-70.9	-43.5	0	0	0	112.3	I794	I794-N796 PolarHBondContact O-N 2.95Å
797	N	56.7	Low	62.7	Low	138 Å²	138	93.3 Å²	93.3	74%	0.738	49%	0.486	S	S	*	.			trans	-92.3	102	174.9	-68.8	-38.2	0	0	0	109.5	D795	D795-N797 PolarHBondContact O-N 2.84Å
798	F	54.8	Low	60.3	Low	163 Å²	163	101.5 Å²	101.5	72%	0.715	53%	0.528	S	S	*	.			trans	-86.9	0	172.4	-159.9	-90	0	0	0	112.1	Q669 W670 S673	Q669-F798 HydrophobicContact CG-CE1 4.17Å; Q669-F798 HydrophobicContact CG-CZ 4.17Å; W670-F798 AromaticContact CD1-CE2 3.8Å; W670-F798 AromaticContact CD1-CZ 3.31Å; W670-F798 HydrophobicContact CG-CZ 4.24Å; W670-F798 AromaticContact NE1-CZ 3.66Å; S673-F798 VanDerWaalsContact OG-CE2 3.26Å; S673-F798 WeakPolarHBondContact OG-CE2 3.36Å

Retrieved 798 of 798 residues in 343.5 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).