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5'-AMP-activated protein kinase subunit gamma-2

AMP/ATP-binding subunit of AMP-activated protein kinase (AMPK), an energy sensor protein kinase that plays a key role in regulating cellular energy metabolism^1,2. In response to reduction of intracellular ATP levels, AMPK activates energy-producing pathways and inhibits energy-consuming processes: inhibits protein, carbohydrate and lipid biosynthesis, as well as cell growth and proliferation^3,4. AMPK acts via direct phosphorylation of metabolic enzymes, and by longer-term effects via phosphorylation of transcription regulators^5,6. Also acts as a regulator of cellular polarity by remodeling the actin cytoskeleton; probably by indirectly activating myosin^7,8. Gamma non-catalytic subunit mediates binding to AMP, ADP and ATP, leading to activate or inhibit AMPK: AMP-binding results in allosteric activation of alpha catalytic subunit (PRKAA1 or PRKAA2) both by inducing phosphorylation and preventing dephosphorylation of catalytic subunits^9,10. ADP also stimulates phosphorylation, without stimulating already phosphorylated catalytic subunit^11,12. ATP promotes dephosphorylation of catalytic subunit, rendering the AMPK enzyme inactive^13,14.

AlphaFold DB , UniProt , Accession Q9UGJ0, Species HUMAN (Homo sapiens, Human), Gene PRKAG2, Length 569 aa.

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(Predicted Aligned Error values between residue pairs)

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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	36.8	Very low	39.3	Very low	227 Å²	227	151.1 Å²	151.1	100%	1.118	83%	0.834	S	S	*	*				0	147.2	0	-69.8	177.7	174.6	0	0	107.9
2	G	39.3	Very low	39.3	Very low	75 Å²	75	152.8 Å²	152.8	77%	0.773	83%	0.826	S	S	*	*			trans	-156.7	120.1	172.4	0	0	0	0	0	109.6
3	S	35.1	Very low	39	Very low	121 Å²	121	151.1 Å²	151.1	85%	0.846	82%	0.816	S	S	*	*			trans	-92.1	103.7	177.9	-61.1	0	0	0	0	109.4	V5	S3-V5 PolarHBondContact O-N 3.21Å
4	A	37.5	Very low	39.1	Very low	93 Å²	93	151.1 Å²	151.1	77%	0.769	82%	0.824	S	S	*	*			trans	-76	115	169.5	0	0	0	0	0	109.4
5	V	41.9	Very low	38.8	Very low	129 Å²	129	148 Å²	148	78%	0.782	82%	0.817	S	S	*	*			trans	-110.4	112.1	170.4	179.4	0	0	0	0	107.4	S3	S3-V5 PolarHBondContact O-N 3.21Å
6	M	42.5	Very low	38.9	Very low	146 Å²	146	146.3 Å²	146.3	72%	0.719	82%	0.819	S	S	*	*			trans	-95	107.5	179.3	-69.8	-167.3	-178.6	0	0	111.2
7	D	37.8	Very low	38.9	Very low	138 Å²	138	145.6 Å²	145.6	74%	0.738	82%	0.822	S	S	*	*			trans	-93.1	98	177.2	-132.2	-42.4	0	0	0	109.6	K9	D7-K9 VanDerWaalsContact C-N 3.32Å; D7-K9 PolarHBondContact O-N 3.06Å
8	T	42.5	Very low	39	Very low	133 Å²	133	142.1 Å²	142.1	82%	0.816	82%	0.824	S	S	*	*			trans	-83.2	66.6	-173.4	44.9	0	0	0	0	113.1	K10	T8-K10 PolarHBondContact O-N 2.65Å
9	K	39.7	Very low	38.9	Very low	193 Å²	193	139.3 Å²	139.3	84%	0.839	83%	0.829	S	S	*	*			trans	-79.4	87.7	-175.2	-159.9	161.6	-168.5	164.3	0	114.1	D7 K11	D7-K9 VanDerWaalsContact C-N 3.32Å; D7-K9 PolarHBondContact O-N 3.06Å; K9-K11 PolarHBondContact O-N 3.12Å
10	K	37.8	Very low	38.8	Very low	202 Å²	202	138.8 Å²	138.8	88%	0.878	83%	0.832	S	S	*	*			trans	-46.3	116.9	171.6	-172.1	173.3	-174.9	172	0	112.5	T8	T8-K10 PolarHBondContact O-N 2.65Å
11	K	41.1	Very low	38.9	Very low	205 Å²	205	136.2 Å²	136.2	89%	0.891	83%	0.834	S	S	*	*			trans	-95.5	151.7	168.6	-160.3	176.1	-179.5	-174	0	110	K9	K9-K11 PolarHBondContact O-N 3.12Å
12	K	40.2	Very low	38.7	Very low	171 Å²	171	129.1 Å²	129.1	74%	0.743	82%	0.819	S	S	*	*			trans	-118.7	139.6	-163.1	-176.8	177	175.7	-177.3	0	112.3
13	D	34.5	Very low	38.8	Very low	131 Å²	131	135.8 Å²	135.8	70%	0.701	83%	0.827	S	S	*	*			trans	31.6	125.9	158.1	-44.2	-14.4	0	0	0	121
14	V	40.4	Very low	38.8	Very low	152 Å²	152	139.3 Å²	139.3	92%	0.921	83%	0.827	S	S	*	*			trans	-133.7	146.4	140.5	-180	0	0	0	0	107.9
15	S	35.3	Very low	38.7	Very low	104 Å²	104	142.6 Å²	142.6	73%	0.727	83%	0.832	S	S	*	*			trans	-88.7	153.2	-162.6	52.9	0	0	0	0	116.7
16	S	40	Very low	38.4	Very low	121 Å²	121	141.3 Å²	141.3	85%	0.846	84%	0.835	S	S	*	*			trans	-156.5	134.8	141	-78.3	0	0	0	0	110.4
17	P	38.9	Very low	38	Very low	134 Å²	134	140 Å²	140	87%	0.87	84%	0.84	S	S	*	*			trans	-104.1	154.3	-175.4	38.4	-33.7	0	0	0	114.3
18	G	40	Very low	37.9	Very low	82 Å²	82	142.6 Å²	142.6	85%	0.845	85%	0.848	S	S	*	*			trans	165.6	144.8	165.6	0	0	0	0	0	114.2
19	G	38.8	Very low	37.5	Very low	90 Å²	90	146.2 Å²	146.2	93%	0.928	85%	0.852	S	S	*	*			trans	98.4	97.6	168.7	0	0	0	0	0	116
20	S	36	Very low	37.2	Very low	128 Å²	128	148.7 Å²	148.7	90%	0.895	86%	0.856	S	S	*	*			trans	-102.6	131.1	172.4	57.5	0	0	0	0	112.2
21	G	41.3	Very low	36.9	Very low	85 Å²	85	151 Å²	151	88%	0.876	86%	0.859	S	S	*	*			trans	175.2	122.2	169.2	0	0	0	0	0	111.2
22	G	32.6	Very low	36.4	Very low	78 Å²	78	146 Å²	146	80%	0.804	85%	0.851	S	S	*	*			trans	-141.5	159.7	-174.1	0	0	0	0	0	114.1
23	K	40.6	Very low	36	Very low	216 Å²	216	145.3 Å²	145.3	94%	0.939	85%	0.854	S	S	*	*			trans	-148.3	156	163	-106.3	166.8	-177.2	175	0	109.4
24	K	34.7	Very low	35.8	Very low	195 Å²	195	150.3 Å²	150.3	85%	0.848	86%	0.863	S	S	*	*			trans	-100.2	173	-171.5	-63.4	177.6	179.2	176	0	111.9
25	N	35.9	Very low	35.6	Very low	162 Å²	162	146.7 Å²	146.7	87%	0.866	84%	0.841	S	S	*	*			trans	112.2	137.6	163.4	-59.5	-7.5	0	0	0	113.4
26	A	37	Very low	35.5	Very low	102 Å²	102	149.8 Å²	149.8	84%	0.843	84%	0.844	S	S	*	*			cis	-146.6	156	-11	0	0	0	0	0	110.6
27	S	33	Very low	35.6	Very low	117 Å²	117	148.7 Å²	148.7	82%	0.818	83%	0.827	S	S	*	*			trans	-98.5	111.7	-171.8	57.6	0	0	0	0	113.8
28	Q	36.7	Very low	35.7	Very low	194 Å²	194	145.4 Å²	145.4	91%	0.907	81%	0.806	S	S	*	*			trans	-84.9	121.8	162.8	-80.2	-173.9	-24.3	0	0	111	R30	Q28-R30 PolarHBondContact O-N 3.45Å; Q28-R30 VanDerWaalsContact O-N 3.12Å
29	K	32.3	Very low	35.4	Very low	209 Å²	209	146 Å²	146	91%	0.909	79%	0.79	S	S	*	*			trans	-79.1	85.7	173.5	-81.1	-179.8	172.6	174.1	0	111.1	R31	K29-R31 PolarHBondContact O-N 3.25Å
30	R	33.8	Very low	35.6	Very low	245 Å²	245	143.9 Å²	143.9	93%	0.925	76%	0.757	S	S	*	*			trans	-72.7	118.7	158.5	-111.6	-178.3	167.1	-171.6	-5.5	108.8	Q28 S32	Q28-R30 PolarHBondContact O-N 3.45Å; Q28-R30 VanDerWaalsContact O-N 3.12Å; R30-S32 PolarHBondContact O-N 3.1Å; R30-S32 VanDerWaalsContact O-N 3.1Å
31	R	32.1	Very low	35.5	Very low	249 Å²	249	141.6 Å²	141.6	94%	0.94	74%	0.741	S	S	*	*			trans	-69.2	101.6	170.1	-88.6	-178.6	166	172.8	-4.8	108.7	K29 L33	K29-R31 PolarHBondContact O-N 3.25Å; R31-L33 PolarHBondContact O-N 3.29Å
32	S	30.9	Very low	35.2	Very low	102 Å²	102	141.6 Å²	141.6	71%	0.713	73%	0.728	S	S	*	*			trans	-70.8	112.1	166.4	173	0	0	0	0	109	R30 R34	R30-S32 PolarHBondContact O-N 3.1Å; R30-S32 VanDerWaalsContact O-N 3.1Å; S32-R34 PolarHBondContact O-N 3.37Å
33	L	30.9	Very low	35.3	Very low	155 Å²	155	145 Å²	145	81%	0.812	72%	0.721	S	S	*	*			trans	-71.2	104.6	160.7	-77.9	165.7	0	0	0	107.6	R31 V35	R31-L33 PolarHBondContact O-N 3.29Å; L33-V35 VanDerWaalsContact C-N 3.31Å; L33-V35 HydrophobicContact CB-CG2 4.4Å; L33-V35 PolarHBondContact O-N 3.06Å; L33-V35 VanDerWaalsContact O-N 3.08Å
34	R	29.7	Very low	34.9	Very low	236 Å²	236	138.9 Å²	138.9	89%	0.891	71%	0.71	S	S	*	*			trans	-75.9	87.1	164.4	-79	-174.1	178.1	160	-1	108.6	S32	S32-R34 PolarHBondContact O-N 3.37Å
35	V	36.5	Very low	35	Very low	77 Å²	77	136.5 Å²	136.5	47%	0.467	70%	0.704	S	S	.	*			trans	-73.9	127.9	166.1	-168.4	0	0	0	0	107.9	L33 I37 F411	L33-V35 VanDerWaalsContact C-N 3.31Å; L33-V35 HydrophobicContact CB-CG2 4.4Å; L33-V35 PolarHBondContact O-N 3.06Å; L33-V35 VanDerWaalsContact O-N 3.08Å; V35-I37 PolarHBondContact O-N 3.08Å; V35-I37 VanDerWaalsContact O-N 3.15Å; V35-F411 HydrophobicContact CB-CE1 4.48Å; V35-F411 HydrophobicContact CG1-CD1 4.18Å; V35-F411 HydrophobicContact CG1-CE1 3.78Å
36	H	33	Very low	34.8	Very low	169 Å²	169	134.2 Å²	134.2	78%	0.782	70%	0.698	S	S	*	*			trans	-81.8	92.1	-179.1	179.5	-68.8	0	0	0	109.5	P38	H36-P38 WeakPolarHBondContact O-CD 3.46Å
37	I	42.2	Very low	34.6	Very low	97 Å²	97	136.1 Å²	136.1	50%	0.497	69%	0.693	S	S	.	*	P	Polyproline II helix	trans	-59.6	118.7	176.8	-55.9	175.2	0	0	0	108.8	V35	V35-I37 PolarHBondContact O-N 3.08Å; V35-I37 VanDerWaalsContact O-N 3.15Å
38	P	41.9	Very low	34.6	Very low	66 Å²	66	137.4 Å²	137.4	43%	0.429	69%	0.69	S	S	.	*	P	Polyproline II helix	trans	-69.5	143.5	175.4	29.4	-33.9	0	0	0	110.1	H36 L40	H36-P38 WeakPolarHBondContact O-CD 3.46Å; P38-L40 PolarHBondContact O-N 3.29Å
39	D	33.9	Very low	34.3	Very low	95 Å²	95	135.1 Å²	135.1	51%	0.508	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-66.5	123.6	-178.2	-175.9	21.8	0	0	0	111.4	S41	D39-S41 VanDerWaalsContact C-N 3.28Å; D39-S41 VanDerWaalsContact CG-OG 3.23Å; D39-S41 PolarHBondContact O-N 3.05Å; D39-S41 PolarHBondContact OD1-N 3.28Å; D39-S41 VanDerWaalsContact OD2-CB 3.31Å; D39-S41 WeakPolarHBondContact OD2-CB 3.46Å; D39-S41 PolarHBondContact OD2-OG 2.97Å
40	L	42.7	Very low	34.3	Very low	45 Å²	45	128.6 Å²	128.6	24%	0.236	68%	0.676	C	S	.	*	G	3₁₀ helix	trans	-88.9	6.9	-174.2	-61.2	172.5	0	0	0	112.6	P38 S42 R403 L410	P38-L40 PolarHBondContact O-N 3.29Å; L40-S42 VanDerWaalsContact C-N 3.3Å; L40-S42 PolarHBondContact O-N 3.3Å; L40-R403 VanDerWaalsContact CD1-NH2 3.32Å; L40-L410 HydrophobicContact CD2-CD1 4.09Å
41	S	34.8	Very low	34.2	Very low	79 Å²	79	125 Å²	125	55%	0.552	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-64	-29.5	178.1	65.8	0	0	0	0	114.1	D39 F43	D39-S41 VanDerWaalsContact C-N 3.28Å; D39-S41 VanDerWaalsContact CG-OG 3.23Å; D39-S41 PolarHBondContact O-N 3.05Å; D39-S41 PolarHBondContact OD1-N 3.28Å; D39-S41 VanDerWaalsContact OD2-CB 3.31Å; D39-S41 WeakPolarHBondContact OD2-CB 3.46Å; D39-S41 PolarHBondContact OD2-OG 2.97Å; S41-F43 PolarHBondContact O-N 3.12Å
42	S	34	Very low	34.3	Very low	86 Å²	86	120.9 Å²	120.9	60%	0.601	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-71.9	-6.8	-173.7	53.3	0	0	0	0	115.5	L40	L40-S42 VanDerWaalsContact C-N 3.3Å; L40-S42 PolarHBondContact O-N 3.3Å
43	F	34.9	Very low	34.4	Very low	150 Å²	150	125 Å²	125	66%	0.658	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-112.9	31.6	-178.5	-66.4	-81.7	0	0	0	113.4	S41	S41-F43 PolarHBondContact O-N 3.12Å
44	A	31.1	Very low	34.3	Very low	86 Å²	86	121 Å²	121	71%	0.711	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-67.1	128.8	164.9	0	0	0	0	0	110
45	M	38	Very low	34.6	Very low	146 Å²	146	115.7 Å²	115.7	72%	0.719	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-62.1	145.6	-180	-66.3	-67.8	-104.2	0	0	111.2	L47	M45-L47 PolarHBondContact O-N 2.91Å
46	P	31	Very low	34.3	Very low	113 Å²	113	115 Å²	115	73%	0.734	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-54.8	132.1	173.1	-24.8	34.3	0	0	0	111.7
47	L	32.2	Very low	34.3	Very low	142 Å²	142	115.9 Å²	115.9	74%	0.743	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-74.7	123.9	166.4	-171.8	68.7	0	0	0	107.7	M45 D49	M45-L47 PolarHBondContact O-N 2.91Å; L47-D49 PolarHBondContact O-N 2.76Å; L47-D49 VanDerWaalsContact O-N 3.16Å
48	L	34.8	Very low	33.7	Very low	144 Å²	144	119.7 Å²	119.7	75%	0.754	70%	0.7	S	S	*	*			trans	-82.9	84.9	174	-73.1	170.3	0	0	0	109.3
49	D	30.1	Very low	33.2	Very low	146 Å²	146	122.1 Å²	122.1	78%	0.781	72%	0.718	S	S	*	*			trans	-72.7	125.6	156.6	-73.1	-44.3	0	0	0	108.2	L47	L47-D49 PolarHBondContact O-N 2.76Å; L47-D49 VanDerWaalsContact O-N 3.16Å
50	G	32.4	Very low	33	Very low	72 Å²	72	122.8 Å²	122.8	74%	0.742	73%	0.731	S	S	*	*			trans	-133.7	69	-171.6	0	0	0	0	0	111.8
51	D	31.7	Very low	32.6	Very low	171 Å²	171	132.5 Å²	132.5	91%	0.914	76%	0.764	S	S	*	*			trans	-74.1	133.8	166.8	-97.8	-37.2	0	0	0	110.4
52	L	34.3	Very low	32.4	Very low	162 Å²	162	138.6 Å²	138.6	85%	0.848	78%	0.781	S	S	*	*			trans	-136.9	51.5	-168.8	-143.2	169	0	0	0	111.8	G54	L52-G54 PolarHBondContact O-N 3.15Å
53	E	32.2	Very low	32.6	Very low	189 Å²	189	140.9 Å²	140.9	88%	0.883	79%	0.791	S	S	*	*			trans	-79.5	105.6	167.8	-91.4	-74.2	116.3	0	0	110.2
54	G	29.7	Very low	32.6	Very low	71 Å²	71	140.5 Å²	140.5	73%	0.732	80%	0.796	S	S	*	*			trans	-101.2	111.9	-176.5	0	0	0	0	0	113.7	L52	L52-G54 PolarHBondContact O-N 3.15Å
55	S	35.4	Very low	32.7	Very low	123 Å²	123	141.8 Å²	141.8	86%	0.86	80%	0.799	S	S	*	*			trans	-152.6	129.2	171.2	-169.7	0	0	0	0	115
56	G	29.8	Very low	32.9	Very low	64 Å²	64	139.2 Å²	139.2	66%	0.66	79%	0.794	S	S	*	*			trans	90.9	80.4	134.9	0	0	0	0	0	121.7
57	K	32.1	Very low	33.3	Very low	186 Å²	186	144 Å²	144	81%	0.809	80%	0.803	S	S	*	*			trans	66.7	127.1	134.2	-72.9	179.2	175.5	176.2	0	122.5
58	H	30.6	Very low	33.5	Very low	177 Å²	177	140.6 Å²	140.6	82%	0.819	80%	0.802	S	S	*	*			trans	55.5	129.3	146.3	-57.2	-64	0	0	0	118.8
59	S	31.9	Very low	34	Very low	117 Å²	117	140.4 Å²	140.4	82%	0.818	81%	0.81	S	S	*	*				-176.5	160.8	52.5	-167.2	0	0	0	0	111
60	S	30.1	Very low	34.6	Very low	110 Å²	110	137.2 Å²	137.2	77%	0.769	81%	0.812	S	S	*	*			trans	-91.2	150.4	-179.2	55.1	0	0	0	0	114
61	R	34	Very low	35.2	Very low	248 Å²	248	139.6 Å²	139.6	94%	0.936	82%	0.816	S	S	*	*			trans	-138	129.9	160.6	-75.9	-171.6	173.2	177	-1.5	110.4
62	K	30.1	Very low	35.8	Very low	207 Å²	207	136.9 Å²	136.9	90%	0.9	81%	0.808	S	S	*	*			trans	-99.5	153.5	159	-83.9	-174.2	170.4	-174.7	0	108.5
63	V	38	Very low	36.3	Very low	135 Å²	135	134.3 Å²	134.3	82%	0.818	80%	0.804	S	S	*	*			trans	-136.9	142.4	158.6	-177.6	0	0	0	0	108.4
64	D	35.4	Very low	36.8	Very low	142 Å²	142	135.1 Å²	135.1	76%	0.759	80%	0.804	S	S	*	*			trans	-70.9	145	-159.1	-54.8	-79.3	0	0	0	117.6
65	S	32.4	Very low	37.3	Very low	112 Å²	112	134.9 Å²	134.9	78%	0.783	80%	0.802	S	S	*	*				38.4	167.5	110.5	-115.4	0	0	0	0	121.6
66	P	43.5	Very low	37.6	Very low	93 Å²	93	137.6 Å²	137.6	60%	0.604	80%	0.799	S	S	*	*			cis	-134.9	178.3	-2.5	41.7	-25.1	0	0	0	115.5
67	F	38	Very low	38.2	Very low	213 Å²	213	143.4 Å²	143.4	93%	0.934	81%	0.806	S	S	*	*				170.8	155.5	128.9	-85.7	-60.2	0	0	0	110.2
68	G	37.4	Very low	38.6	Very low	70 Å²	70	139 Å²	139	72%	0.722	80%	0.799	S	S	*	*			trans	-153.7	-145.2	-176.4	0	0	0	0	0	111.1
69	P	45.6	Very low	39	Very low	141 Å²	141	142.6 Å²	142.6	92%	0.916	81%	0.805	S	S	*	*			cis	-141.5	-175.4	-9.3	43.1	-25.1	0	0	0	115.5
70	G	41	Very low	39.5	Very low	79 Å²	79	140.2 Å²	140.2	81%	0.814	80%	0.8	S	S	*	*			trans	123.7	145.7	162.8	0	0	0	0	0	115
71	S	45.2	Very low	40.3	Very low	121 Å²	121	140.5 Å²	140.5	85%	0.846	80%	0.799	S	S	*	*			cis	-152.6	155.4	-5.5	-159.2	0	0	0	0	110.3
72	P	45.3	Very low	41	Very low	114 Å²	114	136.8 Å²	136.8	74%	0.74	79%	0.792	S	S	*	*			trans	-115.7	167.2	-159.5	41.4	-33.7	0	0	0	117.4
73	S	45.2	Very low	41.5	Very low	108 Å²	108	132.5 Å²	132.5	76%	0.755	79%	0.785	S	S	*	*			trans	-164.7	126.5	157.5	-89.2	0	0	0	0	115.2
74	K	42	Very low	41.4	Very low	206 Å²	206	137.5 Å²	137.5	90%	0.896	79%	0.789	S	S	*	*			trans	51.7	134	150.6	-51.9	173.4	-173.9	175.3	0	119.5
75	G	39.4	Very low	41.9	Very low	67 Å²	67	136.6 Å²	136.6	69%	0.691	79%	0.791	S	S	*	*			cis	161.4	177.1	-6.8	0	0	0	0	0	113.6
76	F	41.9	Very low	42.3	Very low	180 Å²	180	136.9 Å²	136.9	79%	0.789	79%	0.794	S	S	*	*			trans	81.9	97.5	163.3	-63.9	-101.8	0	0	0	121.9
77	F	42.5	Very low	41.9	Very low	185 Å²	185	137.5 Å²	137.5	81%	0.811	80%	0.8	S	S	*	*			trans	45.1	160.4	135.4	-49.1	-75.9	0	0	0	122.8
78	S	41.4	Very low	42.1	Very low	94 Å²	94	132.5 Å²	132.5	66%	0.657	79%	0.789	S	S	*	*			cis	-162.9	152.9	13.3	-146.4	0	0	0	0	114.1
79	R	39.1	Very low	42.2	Very low	252 Å²	252	137.4 Å²	137.4	95%	0.951	80%	0.795	S	S	*	*			trans	39.3	150.6	153.4	-65.3	175.5	174.9	174	-2.1	121.1
80	G	42.1	Very low	42	Very low	68 Å²	68	136 Å²	136	70%	0.701	79%	0.788	S	S	*	*			cis	-165.6	-171	15.7	0	0	0	0	0	114
81	P	46.2	Very low	42	Very low	115 Å²	115	136.8 Å²	136.8	75%	0.747	79%	0.787	S	S	*	*				-141.6	-179.2	-129.8	40.9	-22.2	0	0	0	120.6
82	Q	48.3	Very low	41.5	Very low	171 Å²	171	137 Å²	137	80%	0.799	79%	0.786	S	S	*	*			trans	86.6	158.9	158.6	-58.9	-56	-14.5	0	0	120.6
83	P	42.1	Very low	41.2	Very low	116 Å²	116	138.1 Å²	138.1	75%	0.753	79%	0.79	S	S	*	*			cis	-131.8	179.3	-23.9	29.2	-7.9	0	0	0	115.7
84	R	36	Very low	41	Very low	240 Å²	240	144.7 Å²	144.7	91%	0.906	80%	0.799	S	S	*	*			trans	-108.3	162.1	165.9	-77.4	-171.2	179.8	-176.1	0.8	112.4
85	P	46.3	Very low	41	Very low	123 Å²	123	140.4 Å²	140.4	80%	0.799	79%	0.792	S	S	*	*				-135.6	176.1	108.9	30.7	-15.6	0	0	0	112.4
86	S	39.1	Very low	41	Very low	119 Å²	119	145.9 Å²	145.9	83%	0.832	80%	0.796	S	S	*	*			cis	-160.5	-146.9	-20.9	56.9	0	0	0	0	109.3
87	S	36.3	Very low	41	Very low	105 Å²	105	143.5 Å²	143.5	73%	0.734	80%	0.797	S	S	*	*			trans	-156.9	174.7	167.4	68.4	0	0	0	0	109.2
88	P	42.1	Very low	40.9	Very low	109 Å²	109	139.7 Å²	139.7	71%	0.708	79%	0.793	S	S	*	*				-157.4	170.3	73.6	41.2	-19.3	0	0	0	119.6
89	M	39.5	Very low	40.8	Very low	173 Å²	173	141.7 Å²	141.7	85%	0.852	80%	0.804	S	S	*	*			trans	24.8	136.5	145.7	-57	171.3	65.3	0	0	121.9
90	S	41.2	Very low	40.7	Very low	110 Å²	110	133.5 Å²	133.5	77%	0.769	80%	0.798	S	S	*	*				-179.3	154	78.7	-68.6	0	0	0	0	116.5
91	A	40	Very low	40.5	Very low	96 Å²	96	135.8 Å²	135.8	79%	0.793	80%	0.803	S	S	*	*			trans	54.1	128.1	147.8	0	0	0	0	0	124.3
92	P	34.6	Very low	40.3	Very low	127 Å²	127	136.3 Å²	136.3	83%	0.825	81%	0.807	S	S	*	*			trans	-112.2	164.5	161.3	39.8	-31	0	0	0	114.2
93	V	40.6	Very low	39.6	Very low	137 Å²	137	137.2 Å²	137.2	83%	0.83	81%	0.808	S	S	*	*			trans	-136.4	144.7	178.1	178.7	0	0	0	0	112.7
94	R	40.1	Very low	39.5	Very low	246 Å²	246	138.6 Å²	138.6	93%	0.928	81%	0.814	S	S	*	*			trans	-130.6	140.2	170.6	-95.4	-170.7	173.3	-168.5	-0.6	112
95	P	42.4	Very low	39.6	Very low	115 Å²	115	132.2 Å²	132.2	75%	0.747	80%	0.802	S	S	*	*			trans	-137	174.5	142.8	21.6	0.2	0	0	0	112.6
96	K	39	Very low	39.1	Very low	182 Å²	182	135.7 Å²	135.7	79%	0.791	81%	0.805	S	S	*	*			cis	-165.8	128.4	-37.8	-110.7	-173.4	-179.5	-178.6	0	108.7
97	T	41.4	Very low	39.1	Very low	130 Å²	130	134.6 Å²	134.6	80%	0.798	80%	0.795	S	S	*	*			trans	61	165.4	154.3	57.1	0	0	0	0	117.7
98	S	40.6	Very low	38.9	Very low	106 Å²	106	137.9 Å²	137.9	74%	0.741	80%	0.796	S	S	*	*			cis	-145.7	161.7	12.7	-56	0	0	0	0	112.3
99	P	40.2	Very low	38.6	Very low	136 Å²	136	138.4 Å²	138.4	88%	0.883	80%	0.803	S	S	*	*			trans	-108	170.1	179.3	40.4	-34	0	0	0	115.3
100	G	37.2	Very low	38.3	Very low	80 Å²	80	140.1 Å²	140.1	83%	0.825	80%	0.801	S	S	*	*			trans	-164.8	147.1	170	0	0	0	0	0	114.4
101	S	36.9	Very low	38	Very low	115 Å²	115	143.6 Å²	143.6	80%	0.804	81%	0.805	S	S	*	*			trans	-152.8	169.8	174.8	79.4	0	0	0	0	108.8
102	P	43.4	Very low	37.7	Very low	127 Å²	127	147.6 Å²	147.6	83%	0.825	81%	0.807	S	S	*	*				-147.7	-153.2	63	40.8	-18.4	0	0	0	114.8
103	K	32.7	Very low	37.7	Very low	190 Å²	190	147 Å²	147	83%	0.826	81%	0.806	S	S	*	*			trans	-103.7	148.5	-165.5	-57.3	170	-179.9	173.7	0	114.6
104	T	39.5	Very low	37.9	Very low	144 Å²	144	146.2 Å²	146.2	88%	0.883	80%	0.804	S	S	*	*			trans	-132.5	-179.8	149.2	49.8	0	0	0	0	111.3
105	V	38.2	Very low	38.3	Very low	106 Å²	106	140.6 Å²	140.6	64%	0.642	80%	0.799	S	S	*	*				-173.2	159.9	-113.3	146.9	0	0	0	0	110.7
106	F	36.2	Very low	38.2	Very low	196 Å²	196	146.7 Å²	146.7	86%	0.86	81%	0.807	S	S	*	*			trans	73.6	152.2	172.1	-72.7	-42.9	0	0	0	118.7
107	P	39.2	Very low	38.3	Very low	96 Å²	96	143.1 Å²	143.1	62%	0.623	81%	0.805	S	S	*	*			trans	-141.7	-172.6	-135.9	36.9	-13	0	0	0	117.2
108	F	31.8	Very low	38.7	Very low	174 Å²	174	142.9 Å²	142.9	76%	0.763	81%	0.806	S	S	*	*			trans	63	118.9	162	-68.7	-63.5	0	0	0	120.8	Y110	F108-Y110 HydrophobicContact CD1-CD2 4.5Å; F108-Y110 HydrophobicContact CD1-CE2 4.18Å; F108-Y110 HydrophobicContact CE1-CE2 4.16Å
109	S	35.7	Very low	38.6	Very low	121 Å²	121	149.4 Å²	149.4	85%	0.846	81%	0.814	S	S	*	*				-151.8	151.8	122.6	52.4	0	0	0	0	110
110	Y	34	Very low	38.4	Very low	209 Å²	209	153.8 Å²	153.8	82%	0.82	81%	0.814	S	S	*	*			trans	-108.1	121.7	176.9	-85.1	-101.7	0	0	0	109.6	F108	F108-Y110 HydrophobicContact CD1-CD2 4.5Å; F108-Y110 HydrophobicContact CD1-CE2 4.18Å; F108-Y110 HydrophobicContact CE1-CE2 4.16Å
111	Q	35.2	Very low	38.3	Very low	183 Å²	183	158.3 Å²	158.3	86%	0.855	82%	0.815	S	S	*	*			trans	-156.8	94.5	149.4	-144.1	165.9	4.7	0	0	114.4
112	E	32	Very low	38.3	Very low	180 Å²	180	157.5 Å²	157.5	84%	0.841	81%	0.809	S	S	*	*			trans	31.7	101.2	130.5	-164.7	160.8	-136.7	0	0	120.1
113	S	35.7	Very low	38.1	Very low	114 Å²	114	161.4 Å²	161.4	80%	0.797	81%	0.814	S	S	*	*			trans	-166.6	132.9	149.7	-85.6	0	0	0	0	111.8
114	P	44.1	Very low	38.4	Very low	120 Å²	120	156.6 Å²	156.6	78%	0.779	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-81.8	139.7	-178.8	31.6	-34.3	0	0	0	113
115	P	49.5	Very low	38.2	Very low	129 Å²	129	153.6 Å²	153.6	84%	0.838	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-72.9	140.8	180	29.3	-34.5	0	0	0	112.7
116	R	40.2	Very low	38.3	Very low	242 Å²	242	155 Å²	155	91%	0.913	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-75.1	149.3	177.4	-72.2	176.9	170.8	169.3	-3.5	112.2
117	S	41.1	Very low	38.4	Very low	107 Å²	107	153.9 Å²	153.9	75%	0.748	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-59.1	139	177.7	56.2	0	0	0	0	113.9
118	P	49.9	Very low	38.3	Very low	126 Å²	126	159 Å²	159	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-60	146.7	167.6	-21.9	33.5	0	0	0	112.4
119	R	38.3	Very low	38.3	Very low	242 Å²	242	156.1 Å²	156.1	91%	0.913	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-78.9	123.9	175.3	-56.9	-178.6	-167.1	178.6	5	109.8
120	R	35.5	Very low	38.4	Very low	229 Å²	229	155.7 Å²	155.7	86%	0.864	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-78.9	122.4	165.4	-172.5	179.7	-175.7	-167.8	2.5	108.9
121	M	35.7	Very low	38.6	Very low	174 Å²	174	150.9 Å²	150.9	86%	0.857	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.9	129.9	169	-69.7	-64.5	-162.4	0	0	109.7
122	S	36.9	Very low	38.9	Very low	98 Å²	98	151.9 Å²	151.9	69%	0.685	80%	0.803	S	S	*	*			trans	-113	110.7	168	55.7	0	0	0	0	108.9	S124	S122-S124 PolarHBondContact O-N 3.19Å
123	F	39	Very low	39	Very low	210 Å²	210	152.5 Å²	152.5	92%	0.921	81%	0.806	S	S	*	*			trans	-82.6	82.4	-179.9	-134.2	-85.3	0	0	0	110.4	G125	F123-G125 PolarHBondContact O-N 3.43Å
124	S	39.4	Very low	39.3	Very low	89 Å²	89	152.7 Å²	152.7	62%	0.622	81%	0.807	S	S	*	*			trans	-80.1	95.7	176.1	-56.7	0	0	0	0	110	S122 I126	S122-S124 PolarHBondContact O-N 3.19Å; S124-I126 PolarHBondContact O-N 3.04Å
125	G	33.9	Very low	39.2	Very low	81 Å²	81	152.9 Å²	152.9	84%	0.835	81%	0.812	S	S	*	*			trans	-67.4	98.3	176.4	0	0	0	0	0	112.3	F123	F123-G125 PolarHBondContact O-N 3.43Å
126	I	40.8	Very low	39	Very low	136 Å²	136	152.3 Å²	152.3	70%	0.697	81%	0.808	S	S	*	*			trans	-112.7	122.4	168.2	-54.7	170.4	0	0	0	107.4	S124	S124-I126 PolarHBondContact O-N 3.04Å
127	F	38.7	Very low	39	Very low	172 Å²	172	148.5 Å²	148.5	75%	0.754	81%	0.806	S	S	*	*			trans	-167.8	134.4	137.3	-95.6	-51.3	0	0	0	113.4
128	R	36.3	Very low	39	Very low	202 Å²	202	147.8 Å²	147.8	76%	0.762	80%	0.801	S	S	*	*			trans	58.4	89.5	147.7	-65.1	159.9	-162.5	-83.4	-0.6	117.4
129	S	31.6	Very low	38.7	Very low	115 Å²	115	149.6 Å²	149.6	80%	0.804	80%	0.804	S	S	*	*			trans	-55.7	143.3	133.8	-179.8	0	0	0	0	109.6
130	S	38.9	Very low	39.1	Very low	111 Å²	111	144 Å²	144	78%	0.776	80%	0.798	S	S	*	*			trans	-119.5	83.3	179	61.6	0	0	0	0	111.2
131	S	37.1	Very low	39.4	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	79%	0.793	S	S	*	*			trans	-64.7	135.4	164.8	-53.8	0	0	0	0	109.7
132	K	41.6	Very low	39.6	Very low	204 Å²	204	135.3 Å²	135.3	89%	0.887	79%	0.79	S	S	*	*			trans	-142.3	100.5	169.8	-138.1	-175.8	-174.9	-171.4	0	109.4
133	E	36	Very low	39.8	Very low	194 Å²	194	136.1 Å²	136.1	91%	0.907	80%	0.796	S	S	*	*			trans	-84.9	143.5	171	-67.6	168.6	111.3	0	0	109.8
134	S	41.4	Very low	40.2	Very low	117 Å²	117	132.3 Å²	132.3	82%	0.818	79%	0.793	S	S	*	*			trans	-153.1	132.3	165.5	54.7	0	0	0	0	109.3
135	S	41.6	Very low	40.1	Very low	124 Å²	124	132 Å²	132	87%	0.867	80%	0.804	S	S	*	*			trans	-75.9	166.8	-157.4	-50.1	0	0	0	0	115.9
136	P	45.5	Very low	40.3	Very low	117 Å²	117	131.6 Å²	131.6	76%	0.76	80%	0.799	S	S	*	*			trans	-107.2	165.2	-160.5	40.5	-35.7	0	0	0	116.5
137	N	39.5	Very low	40.6	Very low	162 Å²	162	132.1 Å²	132.1	87%	0.866	80%	0.802	S	S	*	*			trans	-169	152.3	153.6	-102	-20.8	0	0	0	108
138	S	42.2	Very low	40.6	Very low	93 Å²	93	134.2 Å²	134.2	65%	0.65	81%	0.805	S	S	*	*			cis	-163.5	129.8	-8.5	50.7	0	0	0	0	112.6
139	N	42.4	Very low	40.6	Very low	164 Å²	164	132.2 Å²	132.2	88%	0.877	80%	0.802	S	S	*	*			trans	66.5	156.4	152.1	-65.8	-6.2	0	0	0	123.7
140	P	47.2	Very low	40.9	Very low	123 Å²	123	135.4 Å²	135.4	80%	0.799	80%	0.801	S	S	*	*			trans	-135.7	169.2	-162.8	42.9	-24.5	0	0	0	117.6
141	A	41.4	Very low	40.8	Very low	91 Å²	91	134.6 Å²	134.6	75%	0.752	80%	0.796	S	S	*	*			trans	175.5	153.5	155.7	0	0	0	0	0	109.5
142	T	40.9	Very low	41	Very low	130 Å²	130	140.1 Å²	140.1	80%	0.798	80%	0.8	S	S	*	*			cis	-154.3	137.7	-5.9	-0.5	0	0	0	0	111.7
143	S	41.3	Very low	40.8	Very low	115 Å²	115	135 Å²	135	80%	0.804	79%	0.79	S	S	*	*			trans	32.2	158.1	145.4	-54.9	0	0	0	0	126
144	P	46	Very low	41	Very low	131 Å²	131	136.8 Å²	136.8	85%	0.851	79%	0.788	S	S	*	*			trans	-132.9	176.1	-159.3	43.1	-25.3	0	0	0	118.4
145	G	38.8	Very low	41	Very low	83 Å²	83	139.3 Å²	139.3	86%	0.856	79%	0.785	S	S	*	*			trans	149.7	152.1	163.4	0	0	0	0	0	113.1
146	G	37.8	Very low	41	Very low	72 Å²	72	139.2 Å²	139.2	74%	0.742	78%	0.779	S	S	*	*			cis	169.2	170.2	-10.1	0	0	0	0	0	113.2
147	I	46.5	Very low	40.8	Very low	146 Å²	146	138.9 Å²	138.9	75%	0.749	78%	0.779	S	S	*	*			trans	78.9	102.5	151	-58.7	176	0	0	0	120.4
148	R	38.7	Very low	40.8	Very low	217 Å²	217	134.7 Å²	134.7	82%	0.819	77%	0.774	S	S	*	*			trans	63.2	166.3	133.6	-55.8	-176.6	-170.3	173.8	2.3	120.2
149	F	36.9	Very low	40.8	Very low	160 Å²	160	138.2 Å²	138.2	70%	0.702	79%	0.785	S	S	*	*			cis	-166.9	162.6	-37.4	-111.8	-58.7	0	0	0	109.3
150	F	38.2	Very low	40.6	Very low	181 Å²	181	135.3 Å²	135.3	79%	0.794	78%	0.778	S	S	*	*			trans	65.7	168.9	163	-52.4	-57.9	0	0	0	118.8
151	S	36.8	Very low	40.3	Very low	95 Å²	95	135 Å²	135	66%	0.664	78%	0.779	S	S	*	*				-166.9	167.3	-51.3	71.5	0	0	0	0	112
152	R	39.6	Very low	40	Very low	224 Å²	224	135.8 Å²	135.8	85%	0.845	78%	0.778	S	S	*	*			trans	74.4	101.1	154.8	-74.3	-177.7	166.8	-171.2	-1.9	122.6
153	S	38.4	Very low	40.1	Very low	96 Å²	96	135.1 Å²	135.1	67%	0.671	78%	0.776	S	S	*	*				82.6	137.7	105.6	-60.7	0	0	0	0	124.2
154	R	40.3	Very low	40.1	Very low	231 Å²	231	134.8 Å²	134.8	87%	0.872	77%	0.774	S	S	*	*			trans	77	152.6	155.9	-67.3	168.9	-165.6	-171.1	4.1	115.5
155	K	40.1	Very low	39.6	Very low	170 Å²	170	135 Å²	135	74%	0.739	77%	0.773	S	S	*	*			cis	-162.1	160	11.5	-138.6	-178.7	177.8	-172.5	0	111.2
156	T	41.8	Very low	39.5	Very low	122 Å²	122	136.3 Å²	136.3	75%	0.748	77%	0.767	S	S	*	*			trans	60	152.1	151.5	43	0	0	0	0	120.5
157	S	42.2	Very low	39.3	Very low	110 Å²	110	138.8 Å²	138.8	77%	0.769	77%	0.768	S	S	*	*			cis	-175.7	147.7	-17.4	47.8	0	0	0	0	113.1
158	G	39.1	Very low	38.9	Very low	74 Å²	74	140.5 Å²	140.5	76%	0.763	77%	0.772	S	S	*	*			trans	84	161.1	165.4	0	0	0	0	0	115.7
159	L	42.1	Very low	38.6	Very low	168 Å²	168	136.4 Å²	136.4	88%	0.88	77%	0.771	S	S	*	*			cis	-158.1	170.4	-8.4	-112.1	160.4	0	0	0	109.2
160	S	38.6	Very low	38.4	Very low	103 Å²	103	134.5 Å²	134.5	72%	0.72	77%	0.773	S	S	*	*			trans	-9	146.2	166.2	51.9	0	0	0	0	120
161	S	40.7	Very low	38.2	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	77%	0.773	S	S	*	*			cis	-164.8	166.8	16.7	48.8	0	0	0	0	113.9
162	S	35.9	Very low	37.7	Very low	107 Å²	107	138.4 Å²	138.4	75%	0.748	78%	0.78	S	S	*	*			trans	-63.6	174.2	159.4	-45.4	0	0	0	0	112.1
163	P	41.4	Very low	37.4	Very low	116 Å²	116	136 Å²	136	75%	0.753	78%	0.778	S	S	*	*			cis	-143.6	-152.2	17.9	43.3	-20.9	0	0	0	115.6
164	S	42.6	Very low	36.9	Very low	109 Å²	109	136.8 Å²	136.8	76%	0.762	78%	0.779	S	S	*	*			trans	99.6	110.7	159.2	-56.4	0	0	0	0	118.8
165	T	34.2	Very low	36.5	Very low	135 Å²	135	134.6 Å²	134.6	83%	0.828	78%	0.776	S	S	*	*			trans	-76.9	143.2	167.9	-35.6	0	0	0	0	111.6
166	P	37.6	Very low	36.1	Very low	111 Å²	111	132 Å²	132	72%	0.721	78%	0.777	S	S	*	*			trans	-123.2	127.6	148	34.3	-24.4	0	0	0	111.8	Q168	P166-Q168 PolarHBondContact O-N 2.97Å
167	T	32.6	Very low	35.6	Very low	124 Å²	124	134.6 Å²	134.6	76%	0.761	79%	0.785	S	S	*	*			trans	-66.9	128.3	174.4	-49	0	0	0	0	110.9	V169	T167-V169 HydrophobicContact CG2-CG2 4.35Å
168	Q	39.2	Very low	35	Very low	182 Å²	182	137.7 Å²	137.7	85%	0.85	79%	0.787	S	S	*	*			trans	-126.7	127.3	158.5	-73.4	-156.7	6.5	0	0	111.4	P166	P166-Q168 PolarHBondContact O-N 2.97Å
169	V	31.6	Very low	34.5	Very low	130 Å²	130	139 Å²	139	79%	0.788	79%	0.785	S	S	*	*			trans	-93.8	118	-179.8	176.2	0	0	0	0	108.7	T167	T167-V169 HydrophobicContact CG2-CG2 4.35Å
170	T	33.3	Very low	34	Very low	120 Å²	120	142.5 Å²	142.5	74%	0.736	79%	0.788	S	S	*	*			trans	-133.1	95.3	165.8	-64.1	0	0	0	0	111.6
171	K	33.4	Very low	33.5	Very low	184 Å²	184	147.4 Å²	147.4	80%	0.8	80%	0.796	S	S	*	*			trans	50.3	117	143.4	-63	179.7	178.6	177.3	0	119.2
172	Q	27.4	Very low	33.2	Very low	175 Å²	175	150.6 Å²	150.6	82%	0.818	80%	0.798	S	S	*	*			trans	-53.2	143.5	164.3	-58.9	138.9	-65.5	0	0	111.9
173	H	33.4	Very low	32.9	Very low	174 Å²	174	153.8 Å²	153.8	81%	0.806	80%	0.801	S	S	*	*			trans	-99.1	99.3	153.1	-111.1	-84.9	0	0	0	109	F175	H173-F175 PolarHBondContact O-N 3.29Å
174	T	27.8	Very low	32.6	Very low	112 Å²	112	153.1 Å²	153.1	69%	0.687	80%	0.797	S	S	*	*			trans	-71.4	115.6	174.6	-54.5	0	0	0	0	109.5
175	F	31.6	Very low	31.9	Very low	185 Å²	185	157 Å²	157	81%	0.811	80%	0.803	S	S	*	*			trans	-80.6	125.1	165	-84.7	-85.7	0	0	0	109.4	H173 L177	H173-F175 PolarHBondContact O-N 3.29Å; F175-L177 PolarHBondContact O-N 3.18Å
176	P	32.3	Very low	31.9	Very low	115 Å²	115	161.5 Å²	161.5	75%	0.747	81%	0.805	S	S	*	*			trans	-64.1	129.5	177.4	-23.5	35	0	0	0	112.4	E178	P176-E178 PolarHBondContact O-N 3.07Å
177	L	30.8	Very low	31.5	Very low	176 Å²	176	162.9 Å²	162.9	92%	0.921	81%	0.805	S	S	*	*			trans	-84.1	84.7	171.1	178.6	69.9	0	0	0	109.3	F175	F175-L177 PolarHBondContact O-N 3.18Å
178	E	28.7	Very low	31.4	Very low	175 Å²	175	165.9 Å²	165.9	82%	0.818	81%	0.811	S	S	*	*			trans	-155.4	167.6	173.7	-124.8	168.3	-158.2	0	0	112.2	P176	P176-E178 PolarHBondContact O-N 3.07Å
179	S	28.7	Very low	31	Very low	102 Å²	102	164 Å²	164	71%	0.713	81%	0.806	S	S	*	*			trans	75.7	49.7	173.3	-50.8	0	0	0	0	119.1
180	Y	32.9	Very low	31.1	Very low	242 Å²	242	169.1 Å²	169.1	95%	0.949	81%	0.811	S	S	*	*			trans	-132.2	61	146.7	-91.9	-77.7	0	0	0	111.6
181	K	28	Very low	31	Very low	206 Å²	206	170 Å²	170	90%	0.896	81%	0.81	S	S	*	*			trans	-109.4	84.7	165.6	-79.1	-172.1	174.6	-179.6	0	109.9
182	H	33.2	Very low	30.9	Very low	182 Å²	182	171.4 Å²	171.4	84%	0.843	81%	0.812	S	S	*	*			trans	-161.2	80.9	160.5	-125.1	-55.8	0	0	0	112.1
183	E	29.8	Very low	31	Very low	175 Å²	175	167.3 Å²	167.3	82%	0.818	81%	0.808	S	S	*	*			trans	-83.6	129.8	161.4	-108	-80.3	98.8	0	0	108.3
184	P	36.2	Very low	30.9	Very low	101 Å²	101	164.2 Å²	164.2	66%	0.656	81%	0.806	S	S	*	*			trans	-92.4	105.8	176.2	33.1	-29.5	0	0	0	111.4	R186	P184-R186 PolarHBondContact O-N 3.42Å
185	E	28.4	Very low	31.2	Very low	192 Å²	192	164.3 Å²	164.3	90%	0.897	81%	0.811	S	S	*	*			trans	-48.8	121.2	178.8	-56.3	171.9	117.7	0	0	113.1
186	R	32.2	Very low	31.1	Very low	229 Å²	229	161 Å²	161	86%	0.864	81%	0.811	S	S	*	*			trans	-150.9	86.5	157	-148.9	165.9	-175	81.6	2.7	117.2	P184	P184-R186 PolarHBondContact O-N 3.42Å
187	L	31.2	Very low	31.8	Very low	139 Å²	139	161.3 Å²	161.3	73%	0.728	81%	0.813	S	S	*	*			trans	72	81.8	138	-159.5	76.3	0	0	0	117.4	N189	L187-N189 PolarHBondContact O-N 3.2Å
188	E	29.1	Very low	32.1	Very low	188 Å²	188	158.9 Å²	158.9	88%	0.879	81%	0.808	S	S	*	*			trans	-54.6	129.3	146.2	-57.1	178.9	111.1	0	0	109.6
189	N	31.9	Very low	32.3	Very low	141 Å²	141	157.9 Å²	157.9	75%	0.754	81%	0.808	S	S	*	*			trans	-178.2	73	157.3	-106.7	-61	0	0	0	113.4	L187	L187-N189 PolarHBondContact O-N 3.2Å
190	R	31.9	Very low	32.6	Very low	238 Å²	238	159.9 Å²	159.9	90%	0.898	82%	0.816	S	S	*	*			trans	-160.7	104.1	148.4	-145.9	162.3	-68.1	-167.6	-0.7	113.3
191	I	32.3	Very low	32.7	Very low	138 Å²	138	151.9 Å²	151.9	71%	0.708	81%	0.808	S	S	*	*			trans	-102.2	151.6	167.2	-48.6	177.1	0	0	0	107.7
192	Y	30.2	Very low	33.1	Very low	215 Å²	215	149.8 Å²	149.8	84%	0.843	80%	0.801	S	S	*	*			trans	71.3	148.2	-178.9	-48	-78.7	0	0	0	114.3
193	A	29.6	Very low	32.9	Very low	89 Å²	89	150.8 Å²	150.8	74%	0.736	80%	0.797	S	S	*	*			cis	-150.3	-165.6	17.2	0	0	0	0	0	112.9
194	S	32.9	Very low	33	Very low	109 Å²	109	151.9 Å²	151.9	76%	0.762	80%	0.8	S	S	*	*			trans	70.6	112.8	-171.4	72	0	0	0	0	113.7
195	S	32.4	Very low	32.5	Very low	113 Å²	113	152.8 Å²	152.8	79%	0.79	81%	0.807	S	S	*	*			cis	71.7	92.2	13.7	92.5	0	0	0	0	116.2
196	S	31.5	Very low	33.1	Very low	117 Å²	117	150.1 Å²	150.1	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-70.1	141.4	171.1	3.5	0	0	0	0	112.3
197	P	45.2	Very low	32.9	Very low	121 Å²	121	144.4 Å²	144.4	79%	0.786	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-82.6	151.1	169.9	34	-33.7	0	0	0	111.9
198	P	38	Very low	33.1	Very low	125 Å²	125	142.8 Å²	142.8	81%	0.812	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-83.7	165.7	174.5	35.1	-35.5	0	0	0	113.1
199	D	32.7	Very low	33.6	Very low	153 Å²	153	142.9 Å²	142.9	82%	0.818	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-81.8	130.8	-179.3	-179.3	15.6	0	0	0	112.8
200	T	34.9	Very low	33.9	Very low	144 Å²	144	145 Å²	145	88%	0.883	81%	0.805	S	S	*	*			trans	-171.2	117.5	154.4	0.2	0	0	0	0	111.5
201	G	34.6	Very low	34.2	Very low	75 Å²	75	139 Å²	139	77%	0.773	80%	0.8	S	S	*	*			trans	-163.3	115.8	173.5	0	0	0	0	0	113.3
202	Q	37.1	Very low	34.6	Very low	161 Å²	161	137.6 Å²	137.6	75%	0.752	80%	0.799	S	S	*	*			trans	-93.7	145.6	-175.4	-68.8	-171.4	6.5	0	0	113.7
203	R	29.7	Very low	35.1	Very low	204 Å²	204	134.1 Å²	134.1	77%	0.77	80%	0.801	S	S	*	*			trans	59.6	135.4	149.9	-68.7	169.1	175.5	-179.5	-0.8	118
204	F	31.9	Very low	35.3	Very low	197 Å²	197	141.1 Å²	141.1	86%	0.864	81%	0.808	S	S	*	*				-172.9	146.7	98.7	-96.3	-69.2	0	0	0	110.3
205	C	25.4	Very low	35.7	Very low	121 Å²	121	141.1 Å²	141.1	82%	0.818	81%	0.806	S	S	*	*			trans	-130.5	132.4	172.7	-64.3	0	0	0	0	108.7
206	P	40.1	Very low	36.2	Very low	135 Å²	135	141 Å²	141	88%	0.877	80%	0.802	S	S	*	*			trans	-93.6	130.9	168.2	33.8	-28.6	0	0	0	110.7
207	S	27.6	Very low	36.6	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	81%	0.805	S	S	*	*			trans	-132.5	140.5	165.9	59.4	0	0	0	0	110.4
208	S	37	Very low	36.4	Very low	105 Å²	105	141.5 Å²	141.5	73%	0.734	80%	0.8	S	S	*	*			trans	-160.2	120.6	175.6	-74.8	0	0	0	0	106.5
209	F	38.4	Very low	36.6	Very low	190 Å²	190	141.3 Å²	141.3	83%	0.833	80%	0.802	S	S	*	*				59.2	118.5	91.6	-64.6	-57.5	0	0	0	111.6
210	Q	39.3	Very low	37.2	Very low	185 Å²	185	139.9 Å²	139.9	86%	0.864	80%	0.801	S	S	*	*			cis	-143.1	-173	16.7	-100.4	158.8	9.3	0	0	112.8
211	S	36.6	Very low	37.3	Very low	113 Å²	113	140 Å²	140	79%	0.79	80%	0.801	S	S	*	*			trans	-120.7	-156.7	-163.7	56	0	0	0	0	113.5
212	P	42.5	Very low	37.5	Very low	108 Å²	108	144.8 Å²	144.8	70%	0.701	80%	0.803	S	S	*	*				-133.1	165.6	-103.3	40.7	-23.2	0	0	0	116.9
213	T	39.6	Very low	37.5	Very low	143 Å²	143	148.8 Å²	148.8	88%	0.877	81%	0.813	S	S	*	*			trans	-165.6	127.3	146.7	19.3	0	0	0	0	116.1
214	R	33.9	Very low	37.8	Very low	235 Å²	235	143.3 Å²	143.3	89%	0.887	81%	0.812	S	S	*	*			trans	53.7	124.7	135.2	-140.4	-178.5	-177.3	-178.3	0.9	123.7
215	P	40.9	Very low	38.1	Very low	109 Å²	109	140.4 Å²	140.4	71%	0.708	81%	0.812	S	S	*	*			trans	-92.5	-167.1	163.3	42.3	-37.2	0	0	0	111.4
216	P	44.4	Very low	38.7	Very low	111 Å²	111	140.2 Å²	140.2	72%	0.721	81%	0.813	S	S	*	*			cis	-150.8	-162.8	18.6	44.3	-20.7	0	0	0	118.9
217	L	39.2	Very low	38.4	Very low	167 Å²	167	144 Å²	144	87%	0.874	82%	0.815	S	S	*	*			trans	109.4	150.7	142.9	-133.5	75.7	0	0	0	120.8
218	A	40.1	Very low	38.9	Very low	82 Å²	82	143.9 Å²	143.9	68%	0.678	82%	0.82	S	S	*	*			trans	79.4	84.7	159.4	0	0	0	0	0	121.8
219	S	43.4	Very low	38.6	Very low	121 Å²	121	143.7 Å²	143.7	85%	0.846	83%	0.825	S	S	*	*				52.8	159.1	101.1	-53.4	0	0	0	0	122.3
220	P	44.2	Very low	38.5	Very low	123 Å²	123	138.7 Å²	138.7	80%	0.799	82%	0.819	S	S	*	*			trans	-127.8	-173.3	-136.1	43.4	-29.3	0	0	0	117.1
221	T	37.3	Very low	38.3	Very low	145 Å²	145	138 Å²	138	89%	0.89	82%	0.821	S	S	*	*			trans	-140.4	150.3	169.5	16.5	0	0	0	0	113.5
222	H	38.1	Very low	38.2	Very low	177 Å²	177	136.9 Å²	136.9	82%	0.819	82%	0.818	S	S	*	*			trans	-77.7	164.4	-176.6	-58.7	-105.8	0	0	0	114
223	Y	37.9	Very low	37.9	Very low	244 Å²	244	136.5 Å²	136.5	96%	0.957	82%	0.824	S	S	*	*				-155.9	153.6	122.9	-97.8	-67.2	0	0	0	110.6
224	A	36.5	Very low	37.5	Very low	90 Å²	90	134.2 Å²	134.2	74%	0.744	82%	0.819	S	S	*	*			trans	-123.6	163.1	-171	0	0	0	0	0	111.9
225	P	38.4	Very low	37.6	Very low	135 Å²	135	131.6 Å²	131.6	88%	0.877	82%	0.822	S	S	*	*			trans	-92.4	165.7	-162.3	36.8	-36.8	0	0	0	114.9
226	S	37.5	Very low	37.3	Very low	118 Å²	118	129.7 Å²	129.7	83%	0.825	82%	0.822	S	S	*	*			trans	-119.2	127.4	171	56.9	0	0	0	0	111.7
227	K	34.4	Very low	36.8	Very low	215 Å²	215	130.9 Å²	130.9	94%	0.935	83%	0.83	S	S	*	*			trans	-79.6	145.4	164.6	-72.8	-179.4	175.5	179.3	0	109.9
228	A	36.5	Very low	36.7	Very low	105 Å²	105	127.4 Å²	127.4	87%	0.868	83%	0.826	S	S	*	*			trans	-136.3	132.9	159.5	0	0	0	0	0	108.5
229	A	32.3	Very low	36.4	Very low	101 Å²	101	133.3 Å²	133.3	84%	0.835	84%	0.839	S	S	*	*			trans	-139.8	150.3	177.4	0	0	0	0	0	109.2
230	A	35.2	Very low	35.8	Very low	86 Å²	86	132.6 Å²	132.6	71%	0.711	84%	0.841	S	S	*	*			trans	149.3	155.5	133.5	0	0	0	0	0	113
231	L	35.7	Very low	35.2	Very low	171 Å²	171	130.2 Å²	130.2	90%	0.895	84%	0.839	S	S	*	*			trans	69.9	150.5	163.5	-46.9	-177.4	0	0	0	117.7
232	A	33.7	Very low	34.9	Very low	88 Å²	88	131.6 Å²	131.6	73%	0.727	84%	0.837	S	S	*	*			cis	-170.2	161.6	-27.8	0	0	0	0	0	109.6
233	A	35.8	Very low	34.9	Very low	100 Å²	100	130.2 Å²	130.2	83%	0.826	84%	0.835	S	S	*	*			trans	63.2	129.4	173.3	0	0	0	0	0	116.9
234	A	32	Very low	34.6	Very low	95 Å²	95	125.9 Å²	125.9	79%	0.785	82%	0.823	S	S	*	*			cis	104.5	115	18.3	0	0	0	0	0	114.5
235	L	36.6	Very low	34.5	Very low	180 Å²	180	129.1 Å²	129.1	94%	0.942	82%	0.82	S	S	*	*			trans	-175.8	132.6	157.7	-108.7	164.3	0	0	0	112.7
236	G	33.6	Very low	34.4	Very low	69 Å²	69	127.9 Å²	127.9	71%	0.711	81%	0.806	S	S	*	*			trans	72.9	113.5	148	0	0	0	0	0	121
237	P	35.3	Very low	34.1	Very low	136 Å²	136	129.3 Å²	129.3	88%	0.883	80%	0.8	S	S	*	*			trans	-97	153.7	171.6	37.2	-32.9	0	0	0	114
238	A	35.8	Very low	34.4	Very low	95 Å²	95	125.6 Å²	125.6	79%	0.785	78%	0.784	S	S	*	*			trans	-152.7	128.6	165.9	0	0	0	0	0	112.8
239	E	33.7	Very low	34.6	Very low	205 Å²	205	128.3 Å²	128.3	96%	0.958	78%	0.779	S	S	*	*			trans	56	143.3	166.7	-52.4	-139.7	128.7	0	0	120
240	A	31.6	Very low	35.4	Very low	107 Å²	107	126.2 Å²	126.2	88%	0.884	75%	0.753	S	S	*	*			trans	-116.1	121.4	-165.4	0	0	0	0	0	113.4
241	G	32.1	Very low	35.8	Very low	73 Å²	73	130.8 Å²	130.8	75%	0.753	76%	0.76	S	S	*	*			trans	-126.1	100.9	162.1	0	0	0	0	0	108.7	L243	G241-L243 PolarHBondContact O-N 3.21Å
242	M	29.5	Very low	36.2	Very low	174 Å²	174	126.5 Å²	126.5	86%	0.857	75%	0.749	S	S	*	*			trans	-72.3	85.8	-164.3	-166.6	172.7	82.6	0	0	113
243	L	38.5	Very low	37	Very low	148 Å²	148	124.7 Å²	124.7	78%	0.775	73%	0.729	S	S	*	*			trans	-92.6	93.6	166.7	-157.5	169.3	0	0	0	107.7	G241 K245	G241-L243 PolarHBondContact O-N 3.21Å; L243-K245 PolarHBondContact O-N 3.26Å
244	E	33	Very low	37.7	Very low	152 Å²	152	122.1 Å²	122.1	71%	0.71	70%	0.7	S	S	*	*			trans	-59.8	101.2	168.3	-79.7	-176.9	129	0	0	108.9	L246	E244-L246 PolarHBondContact O-N 2.77Å
245	K	34.2	Very low	38.6	Very low	158 Å²	158	123.8 Å²	123.8	69%	0.687	70%	0.695	S	S	*	*			trans	-71.6	86	172.2	-170.4	-168	-179.1	-162.4	0	107.3	L243 E247	L243-K245 PolarHBondContact O-N 3.26Å; K245-E247 HydrophobicContact CD-CG 3.92Å; K245-E247 WeakPolarHBondContact CD-OE1 3.45Å; K245-E247 WeakPolarHBondContact CE-OE1 3.24Å; K245-E247 HydrophobicContact CG-CG 3.98Å; K245-E247 IonicContact NZ-OE1 2.72Å; K245-E247 PolarHBondContact NZ-OE1 3.02Å; K245-E247 PolarHBondContact O-N 2.92Å
246	L	36.2	Very low	39.7	Very low	109 Å²	109	117.2 Å²	117.2	57%	0.571	67%	0.665	S	S	*	*			trans	-63.8	93	166	-73.9	166.1	0	0	0	107.7	E244 F248	E244-L246 PolarHBondContact O-N 2.77Å; L246-F248 HydrophobicContact CB-CD2 3.75Å; L246-F248 HydrophobicContact CB-CE2 3.53Å; L246-F248 HydrophobicContact CB-CZ 4.24Å; L246-F248 HydrophobicContact CD1-CE2 3.75Å; L246-F248 HydrophobicContact CD1-CZ 3.98Å; L246-F248 HydrophobicContact CG-CE2 4.18Å; L246-F248 PolarHBondContact O-N 3.23Å
247	E	30.1	Very low	41.2	Very low	149 Å²	149	121 Å²	121	70%	0.696	66%	0.664	S	S	*	*			trans	-71.6	72.2	167.3	-63.6	-173.7	152.6	0	0	108.2	K245	K245-E247 HydrophobicContact CD-CG 3.92Å; K245-E247 WeakPolarHBondContact CD-OE1 3.45Å; K245-E247 WeakPolarHBondContact CE-OE1 3.24Å; K245-E247 HydrophobicContact CG-CG 3.98Å; K245-E247 IonicContact NZ-OE1 2.72Å; K245-E247 PolarHBondContact NZ-OE1 3.02Å; K245-E247 PolarHBondContact O-N 2.92Å
248	F	41.8	Very low	42.7	Very low	136 Å²	136	115.4 Å²	115.4	60%	0.596	63%	0.628	S	S	*	*			trans	-60.2	159.5	164.2	-72.9	-73.5	0	0	0	110	L246 D250	L246-F248 HydrophobicContact CB-CD2 3.75Å; L246-F248 HydrophobicContact CB-CE2 3.53Å; L246-F248 HydrophobicContact CB-CZ 4.24Å; L246-F248 HydrophobicContact CD1-CE2 3.75Å; L246-F248 HydrophobicContact CD1-CZ 3.98Å; L246-F248 HydrophobicContact CG-CE2 4.18Å; L246-F248 PolarHBondContact O-N 3.23Å; F248-D250 PolarHBondContact O-N 3.24Å
249	E	39.1	Very low	44.8	Very low	163 Å²	163	110.9 Å²	110.9	76%	0.762	59%	0.591	S	S	*	*			trans	-76.3	43.5	-176.6	-61.6	161.6	127.4	0	0	112.4	E251 A252	E249-E251 VanDerWaalsContact C-N 3.28Å; E249-E251 PolarHBondContact O-N 2.63Å; E249-E251 VanDerWaalsContact O-N 3.17Å; E249-A252 PolarHBondContact O-N 3.17Å
250	D	49.3	Very low	47.4	Very low	57 Å²	57	102.8 Å²	102.8	31%	0.305	56%	0.555	S	S	.	*	H	α-helix	trans	-51.3	-41.2	-171.7	-99.2	-9	0	0	0	113	F248 A252 V253 E254 R266	F248-D250 PolarHBondContact O-N 3.24Å; D250-A252 VanDerWaalsContact C-N 3.25Å; D250-A252 PolarHBondContact O-N 2.98Å; D250-V253 PolarHBondContact O-N 2.76Å; D250-V253 VanDerWaalsContact O-N 3.17Å; D250-E254 WeakPolarHBondContact O-CB 3.37Å; D250-E254 PolarHBondContact O-N 3.07Å; D250-R266 IonicContact OD1-CZ 2.85Å; D250-R266 IonicContact OD1-NH1 2.78Å; D250-R266 IonicContact OD1-NH2 2.67Å; D250-R266 PolarHBondContact OD1-NH2 3.42Å; D250-R266 IonicContact OD2-CZ 2.86Å; D250-R266 VanDerWaalsContact OD2-CZ 3.23Å; D250-R266 IonicContact OD2-NH1 3.62Å; D250-R266 PolarHBondContact OD2-NH1 3.16Å; D250-R266 IonicContact OD2-NH2 3.61Å; D250-R266 PolarHBondContact OD2-NH2 2.9Å
251	E	43.9	Very low	50.2	Low	182 Å²	182	97.7 Å²	97.7	85%	0.85	51%	0.513	S	S	*	.	H	α-helix	trans	-58.6	-33.9	-179.8	-66.2	-93.8	125.9	0	0	112.6	E249	E249-E251 VanDerWaalsContact C-N 3.28Å; E249-E251 PolarHBondContact O-N 2.63Å; E249-E251 VanDerWaalsContact O-N 3.17Å
252	A	44	Very low	53	Low	80 Å²	80	94.6 Å²	94.6	66%	0.661	48%	0.479	S	S	*	.	H	α-helix	trans	-81.9	-25.9	-179.7	0	0	0	0	0	112.9	E249 D250	E249-A252 PolarHBondContact O-N 3.17Å; D250-A252 VanDerWaalsContact C-N 3.25Å; D250-A252 PolarHBondContact O-N 2.98Å
253	V	51.8	Low	55.9	Low	50 Å²	50	91.7 Å²	91.7	30%	0.303	46%	0.458	S	S	.	.	H	α-helix	trans	-88.6	-31	-178.9	-176.5	0	0	0	0	111.7	D250 D255 S256 M262	D250-V253 PolarHBondContact O-N 2.76Å; D250-V253 VanDerWaalsContact O-N 3.17Å; V253-D255 VanDerWaalsContact C-N 3.34Å; V253-D255 PolarHBondContact O-N 3.38Å; V253-S256 PolarHBondContact O-N 2.85Å; V253-M262 HydrophobicContact CG1-CE 4.41Å
254	E	49.2	Very low	58.5	Low	47 Å²	47	85.7 Å²	85.7	22%	0.22	43%	0.426	C	S	.	.	H	α-helix	trans	-66.1	-27.4	-177.3	-91.4	-145.6	-166.8	0	0	115	D250 R263 R266	D250-E254 WeakPolarHBondContact O-CB 3.37Å; D250-E254 PolarHBondContact O-N 3.07Å; E254-R263 VanDerWaalsContact O-CZ 3.3Å; E254-R263 PolarHBondContact O-NH1 3.25Å; E254-R263 IonicContact OE2-CZ 3.07Å; E254-R263 VanDerWaalsContact OE2-CZ 3.22Å; E254-R263 IonicContact OE2-NE 3.59Å; E254-R263 PolarHBondContact OE2-NE 3.46Å; E254-R263 IonicContact OE2-NH2 2.63Å; E254-R263 PolarHBondContact OE2-NH2 2.99Å; E254-R266 WeakPolarHBondContact OE1-CD 3.45Å; E254-R266 IonicContact OE1-NE 3.05Å; E254-R266 IonicContact OE1-NH1 3.69Å
255	D	50.7	Low	61.3	Low	129 Å²	129	78.4 Å²	78.4	69%	0.69	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-0.7	179.5	-84.9	6.5	0	0	0	113.9	V253 R263	V253-D255 VanDerWaalsContact C-N 3.34Å; V253-D255 PolarHBondContact O-N 3.38Å; D255-R263 IonicContact OD1-CZ 3.56Å; D255-R263 IonicContact OD1-NH1 2.62Å; D255-R263 PolarHBondContact OD1-NH1 2.86Å; D255-R263 IonicContact OD1-NH2 2.7Å; D255-R263 PolarHBondContact OD1-NH2 3.03Å
256	S	60.5	Low	64.2	Low	43 Å²	43	74.3 Å²	74.3	30%	0.301	37%	0.373	S	S	.	.	S	Bend	trans	-75.5	144	164.6	178.7	0	0	0	0	110.4	V253 S258 G259	V253-S256 PolarHBondContact O-N 2.85Å; S256-S258 WeakPolarHBondContact CB-OG 3.29Å; S256-S258 PolarHBondContact O-N 2.85Å; S256-S258 PolarHBondContact OG-N 3.03Å; S256-S258 PolarHBondContact OG-OG 3.35Å; S256-G259 PolarHBondContact O-N 2.76Å
257	E	65.2	Low	66.9	Low	148 Å²	148	73.1 Å²	73.1	69%	0.692	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-54.8	-28.2	174.8	-64.7	-170	157.3	0	0	112.5	G259 V260	E257-G259 PolarHBondContact O-N 3.48Å; E257-V260 VanDerWaalsContact O-CG2 3.24Å; E257-V260 WeakPolarHBondContact O-CG2 3.36Å; E257-V260 PolarHBondContact O-N 3.18Å
258	S	65.6	Low	70	Confident	18 Å²	18	68.2 Å²	68.2	13%	0.126	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-59.8	-22.3	173.8	56.1	0	0	0	0	114.3	S256	S256-S258 WeakPolarHBondContact CB-OG 3.29Å; S256-S258 PolarHBondContact O-N 2.85Å; S256-S258 PolarHBondContact OG-N 3.03Å; S256-S258 PolarHBondContact OG-OG 3.35Å
259	G	80.7	Confident	72.7	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.01	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-80.3	-7.5	-177.8	0	0	0	0	0	115.3	S256 E257 Y261 M262 R263	S256-G259 PolarHBondContact O-N 2.76Å; E257-G259 PolarHBondContact O-N 3.48Å; G259-Y261 PolarHBondContact O-N 2.97Å; G259-M262 WeakPolarHBondContact O-CA 3.31Å; G259-M262 WeakPolarHBondContact O-CB 3.37Å; G259-M262 PolarHBondContact O-N 3.2Å; G259-R263 PolarHBondContact O-N 3.01Å
260	V	88.5	Confident	75.4	Confident	34 Å²	34	58 Å²	58	21%	0.206	30%	0.303	C	S	.	.	H	α-helix	trans	-52.4	-48.8	-171.8	169.1	0	0	0	0	113.2	E257 R263 F264 M415 P416	E257-V260 VanDerWaalsContact O-CG2 3.24Å; E257-V260 WeakPolarHBondContact O-CG2 3.36Å; E257-V260 PolarHBondContact O-N 3.18Å; V260-R263 PolarHBondContact O-N 3.37Å; V260-F264 WeakPolarHBondContact O-CB 3.5Å; V260-F264 PolarHBondContact O-N 2.86Å; V260-M415 HydrophobicContact CG1-CB 4.12Å; V260-M415 HydrophobicContact CG1-CG 4.46Å; V260-M415 HydrophobicContact CG1-SD 4.02Å; V260-P416 HydrophobicContact CG1-CG 4.23Å; V260-P416 HydrophobicContact CG2-CG 4.04Å
261	Y	90.3	Very high	77.7	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-71.3	-32.3	178.9	-57.4	-43.1	0	0	0	112.8	G259 M265 L408 M412 M415 P418 F420 M421 L554	G259-Y261 PolarHBondContact O-N 2.97Å; Y261-M265 WeakPolarHBondContact O-CB 3.23Å; Y261-M265 WeakPolarHBondContact O-CG 3.47Å; Y261-M265 PolarHBondContact O-N 2.86Å; Y261-L408 HydrophobicContact CD1-CD1 4.2Å; Y261-M412 HydrophobicContact CE1-CE 4.4Å; Y261-M412 HydrophobicContact CE1-CG 3.85Å; Y261-M412 HydrophobicContact CE2-CE 4.43Å; Y261-M415 HydrophobicContact CD1-CE 3.94Å; Y261-M415 HydrophobicContact CD1-SD 4.37Å; Y261-M415 HydrophobicContact CE1-CE 4.06Å; Y261-P418 HydrophobicContact CD2-CG 4.19Å; Y261-P418 HydrophobicContact CE2-CG 3.65Å; Y261-F420 HydrophobicContact CD2-CZ 4.11Å; Y261-F420 HydrophobicContact CE2-CE2 4.34Å; Y261-F420 HydrophobicContact CE2-CZ 4.25Å; Y261-M421 HydrophobicContact CE2-CG 3.96Å; Y261-M421 HydrophobicContact CE2-SD 3.74Å; Y261-L554 WeakPolarHBondContact CB-O 3.37Å; Y261-L554 HydrophobicContact CD2-CB 4.49Å; Y261-L554 HydrophobicContact CD2-CD2 4.09Å; Y261-L554 HydrophobicContact CE2-CD2 4.12Å
262	M	90.3	Very high	80.1	Confident	9 Å²	9	56.7 Å²	56.7	4%	0.044	29%	0.292	C	S	.	.	H	α-helix	trans	-63.6	-49.1	173.1	-169.2	-166	-67.6	0	0	110.5	V253 G259 F264 M265 R266 F371 I555 P558	V253-M262 HydrophobicContact CG1-CE 4.41Å; G259-M262 WeakPolarHBondContact O-CA 3.31Å; G259-M262 WeakPolarHBondContact O-CB 3.37Å; G259-M262 PolarHBondContact O-N 3.2Å; M262-F264 VanDerWaalsContact C-N 3.35Å; M262-F264 PolarHBondContact O-N 3.02Å; M262-M265 CarbonylContact O-C 3.53Å; M262-M265 PolarHBondContact O-N 2.97Å; M262-M265 VanDerWaalsContact O-N 3.1Å; M262-R266 WeakPolarHBondContact O-CG 3.34Å; M262-R266 PolarHBondContact O-N 3.14Å; M262-R266 PolarHBondContact SD-NH2 3.44Å; M262-R266 VanDerWaalsContact SD-NH2 3.41Å; M262-F371 HydrophobicContact CE-CE2 4.38Å; M262-F371 HydrophobicContact CG-CD2 3.69Å; M262-F371 HydrophobicContact CG-CE2 3.57Å; M262-F371 HydrophobicContact SD-CE2 4Å; M262-I555 WeakPolarHBondContact CE-O 3.26Å; M262-P558 HydrophobicContact CE-CG 4.27Å
263	R	90.6	Very high	82.6	Confident	112 Å²	112	52.9 Å²	52.9	42%	0.423	26%	0.26	S	S	.	.	H	α-helix	trans	-63.5	-37.9	179.5	-168.9	168.7	-102.9	175	-11.8	111.9	E254 D255 G259 V260 S267	E254-R263 VanDerWaalsContact O-CZ 3.3Å; E254-R263 PolarHBondContact O-NH1 3.25Å; E254-R263 IonicContact OE2-CZ 3.07Å; E254-R263 VanDerWaalsContact OE2-CZ 3.22Å; E254-R263 IonicContact OE2-NE 3.59Å; E254-R263 PolarHBondContact OE2-NE 3.46Å; E254-R263 IonicContact OE2-NH2 2.63Å; E254-R263 PolarHBondContact OE2-NH2 2.99Å; D255-R263 IonicContact OD1-CZ 3.56Å; D255-R263 IonicContact OD1-NH1 2.62Å; D255-R263 PolarHBondContact OD1-NH1 2.86Å; D255-R263 IonicContact OD1-NH2 2.7Å; D255-R263 PolarHBondContact OD1-NH2 3.03Å; G259-R263 PolarHBondContact O-N 3.01Å; V260-R263 PolarHBondContact O-N 3.37Å; R263-S267 WeakPolarHBondContact O-CB 3.38Å; R263-S267 PolarHBondContact O-N 3.23Å; R263-S267 PolarHBondContact O-OG 2.92Å
264	F	92.6	Very high	84.6	Confident	22 Å²	22	52.1 Å²	52.1	10%	0.096	26%	0.256	C	S	.	.	H	α-helix	trans	-61.8	-42.5	170.1	178.2	-85.5	0	0	0	112.8	V260 M262 S267 H268 F407 L408 F411 M415	V260-F264 WeakPolarHBondContact O-CB 3.5Å; V260-F264 PolarHBondContact O-N 2.86Å; M262-F264 VanDerWaalsContact C-N 3.35Å; M262-F264 PolarHBondContact O-N 3.02Å; F264-S267 PolarHBondContact O-N 3.31Å; F264-S267 PolarHBondContact O-OG 3.2Å; F264-H268 AromaticContact CD1-ND1 3.9Å; F264-H268 AromaticContact CD2-CE1 3.59Å; F264-H268 AromaticContact CD2-ND1 3.82Å; F264-H268 AromaticContact CE1-ND1 3.69Å; F264-H268 AromaticContact CE2-CE1 3.16Å; F264-H268 WeakPolarHBondContact CE2-CE1 3.47Å; F264-H268 AromaticContact CE2-ND1 3.62Å; F264-H268 AromaticContact CG-ND1 3.95Å; F264-H268 AromaticContact CZ-CE1 3.39Å; F264-H268 WeakPolarHBondContact CZ-CE1 3.39Å; F264-H268 AromaticContact CZ-ND1 3.52Å; F264-H268 PolarHBondContact O-N 3.16Å; F264-H268 PolarHBondContact O-ND1 3.31Å; F264-F407 HydrophobicContact CE1-CD1 4.23Å; F264-F407 AromaticContact CE1-CE1 3.9Å; F264-F407 HydrophobicContact CE1-CE1 3.9Å; F264-F407 AromaticContact CZ-CE1 3.97Å; F264-F407 HydrophobicContact CZ-CE1 3.97Å; F264-L408 HydrophobicContact CD1-CD1 3.55Å; F264-L408 HydrophobicContact CE1-CD1 3.82Å; F264-L408 HydrophobicContact CG-CD1 4.34Å; F264-F411 HydrophobicContact CE1-CD2 4.37Å; F264-F411 HydrophobicContact CE2-CB 3.71Å; F264-F411 HydrophobicContact CE2-CD2 4.05Å; F264-F411 AromaticContact CE2-CG 3.85Å; F264-F411 HydrophobicContact CE2-CG 3.85Å; F264-F411 HydrophobicContact CZ-CB 3.83Å; F264-F411 AromaticContact CZ-CD2 3.42Å; F264-F411 HydrophobicContact CZ-CD2 3.42Å; F264-F411 VanDerWaalsContact CZ-CD2 3.42Å; F264-F411 HydrophobicContact CZ-CE2 4.09Å; F264-F411 AromaticContact CZ-CG 3.72Å; F264-F411 HydrophobicContact CZ-CG 3.72Å; F264-M415 HydrophobicContact CB-CE 4.36Å; F264-M415 HydrophobicContact CB-SD 3.74Å; F264-M415 HydrophobicContact CD1-CE 4.34Å; F264-M415 HydrophobicContact CD2-CE 3.73Å; F264-M415 HydrophobicContact CD2-SD 3.41Å; F264-M415 WeakPolarHBondContact CD2-SD 3.35Å; F264-M415 HydrophobicContact CE2-CE 4.09Å; F264-M415 HydrophobicContact CE2-SD 4.22Å; F264-M415 HydrophobicContact CG-CE 3.88Å; F264-M415 HydrophobicContact CG-SD 3.71Å
265	M	93.7	Very high	86.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-76.5	-27.1	-178.6	-68.9	-68.2	-78.6	0	0	113	Y261 M262 L370 F371 V374 I404 L408 I555	Y261-M265 WeakPolarHBondContact O-CB 3.23Å; Y261-M265 WeakPolarHBondContact O-CG 3.47Å; Y261-M265 PolarHBondContact O-N 2.86Å; M262-M265 CarbonylContact O-C 3.53Å; M262-M265 PolarHBondContact O-N 2.97Å; M262-M265 VanDerWaalsContact O-N 3.1Å; M265-L370 HydrophobicContact CE-CB 3.54Å; M265-L370 HydrophobicContact CE-CD1 4.49Å; M265-L370 PolarHBondContact O-N 3.12Å; M265-L370 VanDerWaalsContact O-N 3.15Å; M265-L370 HydrophobicContact SD-CB 3.86Å; M265-L370 HydrophobicContact SD-CD1 4.16Å; M265-F371 HydrophobicContact CB-CB 4.18Å; M265-F371 PolarHBondContact O-N 3.44Å; M265-V374 HydrophobicContact CE-CG2 3.65Å; M265-I404 HydrophobicContact CE-CG2 3.4Å; M265-L408 HydrophobicContact CG-CD1 4.47Å; M265-L408 HydrophobicContact SD-CD1 4.34Å; M265-I555 HydrophobicContact CB-CG2 4.22Å; M265-I555 HydrophobicContact CE-CD1 3.67Å; M265-I555 HydrophobicContact CG-CD1 3.87Å; M265-I555 HydrophobicContact CG-CG1 4.14Å; M265-I555 HydrophobicContact CG-CG2 4.38Å; M265-I555 HydrophobicContact SD-CD1 4.39Å
266	R	93.9	Very high	88.9	Confident	72 Å²	72	51.4 Å²	51.4	27%	0.272	26%	0.26	S	S	.	.	H	α-helix	trans	-72.4	-30.8	168.3	-70.4	-178.4	-174	-137.7	3.5	112.2	D250 E254 M262 F371	D250-R266 IonicContact OD1-CZ 2.85Å; D250-R266 IonicContact OD1-NH1 2.78Å; D250-R266 IonicContact OD1-NH2 2.67Å; D250-R266 PolarHBondContact OD1-NH2 3.42Å; D250-R266 IonicContact OD2-CZ 2.86Å; D250-R266 VanDerWaalsContact OD2-CZ 3.23Å; D250-R266 IonicContact OD2-NH1 3.62Å; D250-R266 PolarHBondContact OD2-NH1 3.16Å; D250-R266 IonicContact OD2-NH2 3.61Å; D250-R266 PolarHBondContact OD2-NH2 2.9Å; E254-R266 WeakPolarHBondContact OE1-CD 3.45Å; E254-R266 IonicContact OE1-NE 3.05Å; E254-R266 IonicContact OE1-NH1 3.69Å; M262-R266 WeakPolarHBondContact O-CG 3.34Å; M262-R266 PolarHBondContact O-N 3.14Å; M262-R266 PolarHBondContact SD-NH2 3.44Å; M262-R266 VanDerWaalsContact SD-NH2 3.41Å; R266-F371 HydrophobicContact CG-CB 3.72Å; R266-F371 HydrophobicContact CG-CD1 4.25Å; R266-F371 HydrophobicContact CG-CD2 4.17Å; R266-F371 HydrophobicContact CG-CG 3.8Å
267	S	94	Very high	90.5	Very high	84 Å²	84	54.5 Å²	54.5	59%	0.587	28%	0.282	S	S	*	.	H	α-helix	trans	-82	-18.4	-178.1	72	0	0	0	0	115.4	R263 F264	R263-S267 WeakPolarHBondContact O-CB 3.38Å; R263-S267 PolarHBondContact O-N 3.23Å; R263-S267 PolarHBondContact O-OG 2.92Å; F264-S267 PolarHBondContact O-N 3.31Å; F264-S267 PolarHBondContact O-OG 3.2Å
268	H	95.3	Very high	91.9	Very high	45 Å²	45	50.1 Å²	50.1	21%	0.208	27%	0.267	C	S	.	.	S	Bend	trans	-103.4	146.5	179.2	-71	88.9	0	0	0	112.2	F264 D272 S369 L370 F407	F264-H268 AromaticContact CD1-ND1 3.9Å; F264-H268 AromaticContact CD2-CE1 3.59Å; F264-H268 AromaticContact CD2-ND1 3.82Å; F264-H268 AromaticContact CE1-ND1 3.69Å; F264-H268 AromaticContact CE2-CE1 3.16Å; F264-H268 WeakPolarHBondContact CE2-CE1 3.47Å; F264-H268 AromaticContact CE2-ND1 3.62Å; F264-H268 AromaticContact CG-ND1 3.95Å; F264-H268 AromaticContact CZ-CE1 3.39Å; F264-H268 WeakPolarHBondContact CZ-CE1 3.39Å; F264-H268 AromaticContact CZ-ND1 3.52Å; F264-H268 PolarHBondContact O-N 3.16Å; F264-H268 PolarHBondContact O-ND1 3.31Å; H268-D272 IonicContact CD2-OD2 2.71Å; H268-S369 CarbonylContact O-C 3.59Å; H268-S369 VanDerWaalsContact O-CA 3.31Å; H268-S369 WeakPolarHBondContact O-CA 3.14Å; H268-L370 HydrophobicContact CB-CD1 3.74Å; H268-L370 HydrophobicContact CB-CG 4.17Å; H268-L370 PolarHBondContact O-N 2.8Å; H268-F407 HydrophobicContact CB-CE1 4.39Å
269	K	97	Very high	93.2	Very high	84 Å²	84	55.3 Å²	55.3	37%	0.365	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-93.3	158.1	-178	-73.6	-176.7	164.7	-172.9	0	113.2	Y271 D272 D367 A368 L370	K269-Y271 PolarHBondContact O-N 3.49Å; K269-D272 PolarHBondContact N-OD2 3.09Å; K269-D272 PolarHBondContact O-N 3.4Å; K269-D272 VanDerWaalsContact O-N 3.07Å; K269-D367 WeakPolarHBondContact CE-O 3.45Å; K269-D367 IonicContact NZ-OD1 3.44Å; K269-D367 PolarHBondContact NZ-OD1 3.21Å; K269-A368 CarbonylContact C-O 3.5Å; K269-A368 WeakPolarHBondContact CA-O 3.16Å; K269-L370 WeakPolarHBondContact O-CD2 3.41Å
270	C	97.2	Very high	93.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.5	167.9	-71.7	0	0	0	0	113.5	I273 V274 S365 P366 A368 S369 V387	C270-I273 WeakPolarHBondContact O-CG2 3.49Å; C270-V274 WeakPolarHBondContact O-CG2 3.43Å; C270-S365 WeakPolarHBondContact CB-O 3.28Å; C270-P366 CarbonylContact C-O 3.57Å; C270-P366 PolarHBondContact N-O 2.82Å; C270-A368 PolarHBondContact N-O 3.31Å; C270-A368 PolarHBondContact SG-O 3.32Å; C270-A368 VanDerWaalsContact SG-O 3.34Å; C270-S369 PolarHBondContact SG-O 3.01Å; C270-V387 HydrophobicContact CB-CG1 4.45Å
271	Y	96.3	Very high	94.3	Very high	151 Å²	151	56.9 Å²	56.9	59%	0.592	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-42.4	171	-173.9	-99.3	0	0	0	113.2	K269 I273 V274 P366	K269-Y271 PolarHBondContact O-N 3.49Å; Y271-I273 PolarHBondContact O-N 2.89Å; Y271-V274 WeakPolarHBondContact O-CB 3.42Å; Y271-V274 PolarHBondContact O-N 3.26Å; Y271-P366 WeakPolarHBondContact CB-O 3.48Å; Y271-P366 HydrophobicContact CD2-CB 4.39Å; Y271-P366 PolarHBondContact N-O 3.02Å
272	D	95.5	Very high	94.7	Very high	62 Å²	62	59.9 Å²	59.9	33%	0.332	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19	-168.2	-54.9	-24.8	0	0	0	113.4	H268 K269 F407	H268-D272 IonicContact CD2-OD2 2.71Å; K269-D272 PolarHBondContact N-OD2 3.09Å; K269-D272 PolarHBondContact O-N 3.4Å; K269-D272 VanDerWaalsContact O-N 3.07Å; D272-F407 HydrophobicContact CB-CZ 4.31Å
273	I	94.7	Very high	95	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-9.5	179.8	-164	163.5	0	0	0	113.6	C270 Y271 L370 L399 R403 I404 F407	C270-I273 WeakPolarHBondContact O-CG2 3.49Å; Y271-I273 PolarHBondContact O-N 2.89Å; I273-L370 HydrophobicContact CB-CD2 4.27Å; I273-L370 HydrophobicContact CD1-CD2 4.46Å; I273-L370 HydrophobicContact CG2-CD2 3.74Å; I273-L399 HydrophobicContact CD1-CD1 4.05Å; I273-L399 HydrophobicContact CG1-CD1 4.4Å; I273-L399 HydrophobicContact CG2-CD1 3.62Å; I273-R403 HydrophobicContact CD1-CG 4.01Å; I273-R403 HydrophobicContact CG1-CG 3.82Å; I273-R403 VanDerWaalsContact O-CZ 3.32Å; I273-R403 PolarHBondContact O-NE 3.12Å; I273-R403 PolarHBondContact O-NH2 2.87Å; I273-I404 HydrophobicContact CD1-CB 4.46Å; I273-I404 HydrophobicContact CD1-CG1 4.12Å; I273-F407 HydrophobicContact CB-CD2 4.12Å; I273-F407 HydrophobicContact CB-CE2 4.38Å; I273-F407 HydrophobicContact CB-CG 4.36Å; I273-F407 HydrophobicContact CD1-CB 3.35Å; I273-F407 HydrophobicContact CD1-CD1 4.2Å; I273-F407 HydrophobicContact CD1-CD2 4.2Å; I273-F407 HydrophobicContact CD1-CG 3.69Å; I273-F407 HydrophobicContact CG1-CB 3.79Å; I273-F407 HydrophobicContact CG1-CD2 3.82Å; I273-F407 HydrophobicContact CG1-CG 3.85Å
274	V	94.4	Very high	95.4	Very high	34 Å²	34	56.7 Å²	56.7	21%	0.206	30%	0.304	C	S	.	.	S	Bend	trans	-70.7	130.3	176.7	-178.9	0	0	0	0	109.1	C270 Y271 Y397	C270-V274 WeakPolarHBondContact O-CG2 3.43Å; Y271-V274 WeakPolarHBondContact O-CB 3.42Å; Y271-V274 PolarHBondContact O-N 3.26Å; V274-Y397 HydrophobicContact CG1-CD2 4.4Å; V274-Y397 HydrophobicContact CG1-CG 4.21Å; V274-Y397 HydrophobicContact CG2-CD1 4.31Å; V274-Y397 HydrophobicContact CG2-CG 4.26Å
275	P	94.9	Very high	95.5	Very high	29 Å²	29	55.8 Å²	55.8	19%	0.188	30%	0.3	C	S	.	.			trans	-63.5	145.3	176	-19.1	30.9	0	0	0	112.4	S277 Y397	P275-S277 WeakPolarHBondContact CB-O 3.26Å; P275-S277 PolarHBondContact O-N 3.33Å; P275-Y397 VanDerWaalsContact CD-CE2 3.48Å; P275-Y397 HydrophobicContact CG-CE2 3.9Å
276	T	95.3	Very high	95.6	Very high	131 Å²	131	58.9 Å²	58.9	80%	0.804	32%	0.319	S	S	*	.	S	Bend	trans	-48.9	-30.3	176.8	-37.7	0	0	0	0	113.8
277	S	95.3	Very high	95.7	Very high	109 Å²	109	58.1 Å²	58.1	76%	0.762	32%	0.32	S	S	*	.	S	Bend	trans	-143.6	137.7	168.2	-179.7	0	0	0	0	109	P275	P275-S277 WeakPolarHBondContact CB-O 3.26Å; P275-S277 PolarHBondContact O-N 3.33Å
278	S	93.2	Very high	95.7	Very high	55 Å²	55	57.4 Å²	57.4	39%	0.385	31%	0.308	S	S	.	.			trans	-150.7	157.2	175.9	77.9	0	0	0	0	112.1
279	K	94.6	Very high	95.5	Very high	127 Å²	127	55.4 Å²	55.4	55%	0.552	30%	0.298	S	S	*	.			trans	-100	120.1	173.9	-177.6	-179.7	67.6	174.6	0	109.8	N299	K279-N299 WeakPolarHBondContact CE-OD1 3.19Å; K279-N299 PolarHBondContact NZ-O 3.22Å; K279-N299 PolarHBondContact NZ-OD1 2.86Å
280	L	95.4	Very high	95.2	Very high	51 Å²	51	53.9 Å²	53.9	27%	0.267	29%	0.292	S	S	.	.			trans	-102	133.8	166.6	-172.2	64	0	0	0	110	V282 P305 A395 I398	L280-V282 HydrophobicContact CD2-CG2 4.09Å; L280-V282 HydrophobicContact CG-CG2 4.14Å; L280-P305 HydrophobicContact CD1-CG 4.14Å; L280-P305 HydrophobicContact CD2-CG 4.44Å; L280-A395 HydrophobicContact CD2-CB 3.64Å; L280-A395 WeakPolarHBondContact CD2-O 3.31Å; L280-I398 HydrophobicContact CD1-CD1 3.72Å; L280-I398 HydrophobicContact CD1-CG1 3.67Å
281	V	96.8	Very high	95	Very high	18 Å²	18	59.5 Å²	59.5	11%	0.109	32%	0.316	C	S	.	.			trans	-106.2	127.4	170.7	-179.8	0	0	0	0	107.8	F283 N299 V301 A304 P305	V281-F283 HydrophobicContact CG1-CD1 4.17Å; V281-F283 HydrophobicContact CG1-CE1 3.47Å; V281-F283 VanDerWaalsContact CG1-CE1 3.47Å; V281-F283 HydrophobicContact CG1-CZ 3.79Å; V281-N299 HydrophobicContact CG2-CB 3.83Å; V281-V301 HydrophobicContact CB-CG2 4.15Å; V281-V301 HydrophobicContact CG2-CG1 4.24Å; V281-V301 HydrophobicContact CG2-CG2 3.89Å; V281-A304 HydrophobicContact CG1-CB 4.44Å; V281-A304 WeakPolarHBondContact O-CA 3.37Å; V281-A304 WeakPolarHBondContact O-CB 3.41Å; V281-P305 WeakPolarHBondContact O-CD 3.39Å
282	V	97.4	Very high	94.9	Very high	63 Å²	63	52.3 Å²	52.3	38%	0.382	29%	0.288	S	S	.	.			trans	-121.1	141.1	177.3	175.9	0	0	0	0	108.3	L280 P305 W307 F314	L280-V282 HydrophobicContact CD2-CG2 4.09Å; L280-V282 HydrophobicContact CG-CG2 4.14Å; V282-P305 HydrophobicContact CG2-CG 4.41Å; V282-W307 HydrophobicContact CG1-CB 3.83Å; V282-F314 HydrophobicContact CG1-CE1 3.81Å; V282-F314 HydrophobicContact CG2-CE1 4.08Å; V282-F314 HydrophobicContact CG2-CZ 4.49Å
283	F	97.6	Very high	94.8	Very high	11 Å²	11	49.5 Å²	49.5	5%	0.048	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.8	173.6	-57.3	-43	0	0	0	111.1	V281 L287 A292 A295 L296 A304 P305 L306 W307 L318 I346	V281-F283 HydrophobicContact CG1-CD1 4.17Å; V281-F283 HydrophobicContact CG1-CE1 3.47Å; V281-F283 VanDerWaalsContact CG1-CE1 3.47Å; V281-F283 HydrophobicContact CG1-CZ 3.79Å; F283-L287 HydrophobicContact CB-CD2 4.05Å; F283-L287 HydrophobicContact CD1-CD2 3.7Å; F283-L287 HydrophobicContact CE1-CD2 4.34Å; F283-L287 HydrophobicContact CG-CD2 3.92Å; F283-A292 HydrophobicContact CD2-CB 3.96Å; F283-A292 HydrophobicContact CE2-CB 3.95Å; F283-A292 HydrophobicContact CG-CB 4.46Å; F283-A292 HydrophobicContact CZ-CB 4.44Å; F283-A292 VanDerWaalsContact CZ-O 3.32Å; F283-A292 WeakPolarHBondContact CZ-O 3.45Å; F283-A295 HydrophobicContact CE1-CB 3.64Å; F283-A295 HydrophobicContact CZ-CB 3.77Å; F283-L296 HydrophobicContact CE2-CD1 4.49Å; F283-L296 HydrophobicContact CE2-CD2 3.66Å; F283-L296 HydrophobicContact CE2-CG 3.77Å; F283-L296 HydrophobicContact CZ-CD2 3.81Å; F283-L296 HydrophobicContact CZ-CG 3.93Å; F283-A304 HydrophobicContact CD2-CB 3.62Å; F283-A304 HydrophobicContact CE2-CB 3.52Å; F283-A304 HydrophobicContact CG-CB 4.3Å; F283-A304 HydrophobicContact CZ-CB 4.13Å; F283-P305 PolarHBondContact N-O 2.59Å; F283-P305 VanDerWaalsContact N-O 3.09Å; F283-L306 HydrophobicContact CB-CD2 4.06Å; F283-L306 WeakPolarHBondContact O-CA 3.31Å; F283-W307 PolarHBondContact O-N 3Å; F283-L318 HydrophobicContact CD2-CD2 3.93Å; F283-L318 HydrophobicContact CE2-CD2 4.01Å; F283-I346 HydrophobicContact CB-CD1 3.81Å; F283-I346 HydrophobicContact CD2-CD1 4.31Å; F283-I346 HydrophobicContact CG-CD1 4.38Å
284	D	97.4	Very high	94.6	Very high	42 Å²	42	52.3 Å²	52.3	23%	0.225	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.6	165.5	-175.5	-82.8	0	0	0	109.7	T286 L287 W307 S309	D284-T286 PolarHBondContact O-N 3.27Å; D284-T286 VanDerWaalsContact O-N 3.09Å; D284-T286 VanDerWaalsContact OD1-CB 3.27Å; D284-T286 WeakPolarHBondContact OD1-CB 3.42Å; D284-T286 WeakPolarHBondContact OD1-CG2 3.28Å; D284-T286 PolarHBondContact OD1-N 2.67Å; D284-T286 PolarHBondContact OD1-OG1 3.06Å; D284-L287 VanDerWaalsContact O-CB 3.23Å; D284-L287 WeakPolarHBondContact O-CB 3.48Å; D284-L287 PolarHBondContact O-N 3.45Å; D284-W307 CarbonylContact C-O 3.55Å; D284-W307 WeakPolarHBondContact CA-O 3.45Å; D284-S309 VanDerWaalsContact OD2-CB 3.26Å; D284-S309 WeakPolarHBondContact OD2-CB 3.48Å; D284-S309 PolarHBondContact OD2-OG 2.95Å
285	T	95.6	Very high	94.6	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.018	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.9	-178.4	50.3	0	0	0	0	114	L287 L306 W307 E308 V315 I346 E347	T285-L287 VanDerWaalsContact C-N 3.28Å; T285-L287 PolarHBondContact O-N 3.46Å; T285-L306 HydrophobicContact CG2-CB 4.31Å; T285-W307 PolarHBondContact N-O 3.23Å; T285-E308 HydrophobicContact CG2-CB 4.19Å; T285-V315 HydrophobicContact CG2-CG2 3.82Å; T285-I346 HydrophobicContact CG2-CG2 4.5Å; T285-I346 CarbonylContact O-C 3.58Å; T285-I346 WeakPolarHBondContact O-CB 3.37Å; T285-I346 PolarHBondContact O-N 2.89Å; T285-E347 WeakPolarHBondContact O-CB 3.44Å; T285-E347 PolarHBondContact O-N 2.99Å
286	T	95.5	Very high	94.6	Very high	66 Å²	66	50 Å²	50	41%	0.405	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-8.5	176	65.3	0	0	0	0	114	D284 K345	D284-T286 PolarHBondContact O-N 3.27Å; D284-T286 VanDerWaalsContact O-N 3.09Å; D284-T286 VanDerWaalsContact OD1-CB 3.27Å; D284-T286 WeakPolarHBondContact OD1-CB 3.42Å; D284-T286 WeakPolarHBondContact OD1-CG2 3.28Å; D284-T286 PolarHBondContact OD1-N 2.67Å; D284-T286 PolarHBondContact OD1-OG1 3.06Å; T286-K345 WeakPolarHBondContact O-CD 3.47Å; T286-K345 WeakPolarHBondContact O-CG 3.4Å
287	L	95.8	Very high	94.4	Very high	56 Å²	56	46.2 Å²	46.2	29%	0.293	25%	0.249	S	C	.	.	S	Bend	trans	-66.4	141.3	178.6	-176.2	62.6	0	0	0	111.9	F283 D284 T285 K291 A292 K345 I346	F283-L287 HydrophobicContact CB-CD2 4.05Å; F283-L287 HydrophobicContact CD1-CD2 3.7Å; F283-L287 HydrophobicContact CE1-CD2 4.34Å; F283-L287 HydrophobicContact CG-CD2 3.92Å; D284-L287 VanDerWaalsContact O-CB 3.23Å; D284-L287 WeakPolarHBondContact O-CB 3.48Å; D284-L287 PolarHBondContact O-N 3.45Å; T285-L287 VanDerWaalsContact C-N 3.28Å; T285-L287 PolarHBondContact O-N 3.46Å; L287-K291 HydrophobicContact CD1-CB 4.1Å; L287-A292 HydrophobicContact CD2-CB 3.92Å; L287-A292 HydrophobicContact CG-CB 4.41Å; L287-K345 CarbonylContact O-C 3.47Å; L287-K345 VanDerWaalsContact O-CA 3.31Å; L287-K345 WeakPolarHBondContact O-CA 3.31Å; L287-I346 HydrophobicContact CB-CD1 4.11Å; L287-I346 PolarHBondContact O-N 2.98Å
288	Q	94.1	Very high	94.2	Very high	69 Å²	69	45 Å²	45	32%	0.322	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-64.6	137	173.1	-72.3	175.8	-64.9	0	0	111.7	K290 K291 A292 E342 H344	Q288-K290 PolarHBondContact O-N 2.84Å; Q288-K291 HydrophobicContact CB-CB 4.31Å; Q288-K291 HydrophobicContact CB-CD 4.28Å; Q288-K291 HydrophobicContact CB-CG 4.33Å; Q288-K291 WeakPolarHBondContact O-CB 3.43Å; Q288-K291 PolarHBondContact O-N 2.78Å; Q288-K291 VanDerWaalsContact O-N 3.08Å; Q288-K291 VanDerWaalsContact OE1-CE 3.24Å; Q288-A292 PolarHBondContact O-N 3.2Å; Q288-E342 PolarHBondContact NE2-O 2.9Å; Q288-H344 CarbonylContact C-O 3.53Å; Q288-H344 WeakPolarHBondContact CA-O 3.08Å
289	V	92.5	Very high	94.2	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-49.6	-174.5	176	0	0	0	0	111.7	K291 A292 F293 I326 L341 H344 K345 I346 W349	V289-K291 VanDerWaalsContact C-N 3.29Å; V289-K291 PolarHBondContact O-N 3.03Å; V289-A292 WeakPolarHBondContact O-CB 3.36Å; V289-A292 PolarHBondContact O-N 2.75Å; V289-F293 HydrophobicContact CG1-CD2 3.79Å; V289-F293 HydrophobicContact CG1-CE2 3.38Å; V289-F293 HydrophobicContact CG1-CZ 4.45Å; V289-F293 WeakPolarHBondContact O-CD2 3.27Å; V289-F293 PolarHBondContact O-N 2.68Å; V289-F293 VanDerWaalsContact O-N 3.08Å; V289-I326 HydrophobicContact CG1-CD1 3.58Å; V289-L341 HydrophobicContact CB-CD1 4.49Å; V289-L341 HydrophobicContact CG1-CD1 3.7Å; V289-H344 HydrophobicContact CG2-CB 4Å; V289-H344 WeakPolarHBondContact CG2-O 3.38Å; V289-H344 PolarHBondContact N-O 3.27Å; V289-K345 VanDerWaalsContact CG2-C 3.42Å; V289-K345 WeakPolarHBondContact CG2-O 3.36Å; V289-I346 HydrophobicContact CG2-CG1 4.44Å; V289-W349 HydrophobicContact CG2-CB 4.12Å
290	K	90	Very high	94.1	Very high	52 Å²	52	42 Å²	42	23%	0.226	25%	0.247	C	C	.	.	H	α-helix	trans	-50.7	-45	172.1	173.8	167.7	179	171.7	0	112.9	Q288 F293 F294 L341 E342 Y487	Q288-K290 PolarHBondContact O-N 2.84Å; K290-F293 PolarHBondContact O-N 3.26Å; K290-F294 HydrophobicContact CD-CE2 4.14Å; K290-F294 HydrophobicContact CG-CD2 3.96Å; K290-F294 HydrophobicContact CG-CE2 3.5Å; K290-F294 VanDerWaalsContact CG-CE2 3.5Å; K290-F294 HydrophobicContact CG-CZ 4.44Å; K290-F294 WeakPolarHBondContact O-CD2 3.42Å; K290-F294 PolarHBondContact O-N 3.17Å; K290-L341 WeakPolarHBondContact CB-O 3.18Å; K290-L341 PolarHBondContact N-O 3.01Å; K290-E342 HydrophobicContact CD-CB 4.42Å; K290-E342 VanDerWaalsContact CD-CD 3.45Å; K290-E342 HydrophobicContact CD-CG 4.33Å; K290-E342 WeakPolarHBondContact CD-OE1 3.43Å; K290-E342 WeakPolarHBondContact CD-OE2 3.15Å; K290-E342 WeakPolarHBondContact CE-OE1 3.43Å; K290-E342 WeakPolarHBondContact CE-OE2 3.23Å; K290-E342 IonicContact NZ-OE1 3.92Å; K290-E342 PolarHBondContact NZ-OE1 3Å; K290-E342 IonicContact NZ-OE2 2.72Å; K290-E342 PolarHBondContact NZ-OE2 3.22Å; K290-Y487 WeakPolarHBondContact CD-OH 3.47Å; K290-Y487 VanDerWaalsContact CE-OH 3.24Å; K290-Y487 WeakPolarHBondContact CE-OH 3.42Å; K290-Y487 PolarHBondContact NZ-OH 3.08Å; K290-Y487 VanDerWaalsContact NZ-OH 3.14Å
291	K	92.9	Very high	93.9	Very high	119 Å²	119	41.1 Å²	41.1	52%	0.517	24%	0.244	S	C	.	.	H	α-helix	trans	-68.8	-33.9	178.3	-71.2	178.8	178.8	158.2	0	112.6	L287 Q288 V289 A295	L287-K291 HydrophobicContact CD1-CB 4.1Å; Q288-K291 HydrophobicContact CB-CB 4.31Å; Q288-K291 HydrophobicContact CB-CD 4.28Å; Q288-K291 HydrophobicContact CB-CG 4.33Å; Q288-K291 WeakPolarHBondContact O-CB 3.43Å; Q288-K291 PolarHBondContact O-N 2.78Å; Q288-K291 VanDerWaalsContact O-N 3.08Å; Q288-K291 VanDerWaalsContact OE1-CE 3.24Å; V289-K291 VanDerWaalsContact C-N 3.29Å; V289-K291 PolarHBondContact O-N 3.03Å; K291-A295 VanDerWaalsContact O-CB 3.27Å; K291-A295 WeakPolarHBondContact O-CB 3.37Å; K291-A295 PolarHBondContact O-N 3.26Å
292	A	94.5	Very high	93.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-43.1	176.2	0	0	0	0	0	112	F283 L287 Q288 V289 A295 L296 L318 I346	F283-A292 HydrophobicContact CD2-CB 3.96Å; F283-A292 HydrophobicContact CE2-CB 3.95Å; F283-A292 HydrophobicContact CG-CB 4.46Å; F283-A292 HydrophobicContact CZ-CB 4.44Å; F283-A292 VanDerWaalsContact CZ-O 3.32Å; F283-A292 WeakPolarHBondContact CZ-O 3.45Å; L287-A292 HydrophobicContact CD2-CB 3.92Å; L287-A292 HydrophobicContact CG-CB 4.41Å; Q288-A292 PolarHBondContact O-N 3.2Å; V289-A292 WeakPolarHBondContact O-CB 3.36Å; V289-A292 PolarHBondContact O-N 2.75Å; A292-A295 PolarHBondContact O-N 3.03Å; A292-L296 PolarHBondContact O-N 2.95Å; A292-L318 HydrophobicContact CB-CD2 3.59Å; A292-I346 HydrophobicContact CB-CD1 3.84Å; A292-I346 HydrophobicContact CB-CG1 4.33Å
293	F	92.8	Very high	93.6	Very high	3 Å²	3	40.9 Å²	40.9	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-68.6	-40.6	177	-68.7	-58.4	0	0	0	113.1	V289 K290 A295 L296 V297 L318 D322 F323 I326 L341 I479 A482	V289-F293 HydrophobicContact CG1-CD2 3.79Å; V289-F293 HydrophobicContact CG1-CE2 3.38Å; V289-F293 HydrophobicContact CG1-CZ 4.45Å; V289-F293 WeakPolarHBondContact O-CD2 3.27Å; V289-F293 PolarHBondContact O-N 2.68Å; V289-F293 VanDerWaalsContact O-N 3.08Å; K290-F293 PolarHBondContact O-N 3.26Å; F293-A295 VanDerWaalsContact C-N 3.28Å; F293-A295 PolarHBondContact O-N 3.17Å; F293-L296 HydrophobicContact CD1-CD1 3.92Å; F293-L296 HydrophobicContact CE1-CD1 4.24Å; F293-L296 PolarHBondContact O-N 3.46Å; F293-V297 PolarHBondContact O-N 3.16Å; F293-V297 VanDerWaalsContact O-N 3.13Å; F293-L318 HydrophobicContact CD1-CD2 4.49Å; F293-L318 HydrophobicContact CE1-CD1 4.18Å; F293-L318 HydrophobicContact CE1-CD2 4.01Å; F293-L318 HydrophobicContact CE1-CG 3.95Å; F293-L318 HydrophobicContact CZ-CD1 3.83Å; F293-L318 HydrophobicContact CZ-CD2 4.19Å; F293-L318 HydrophobicContact CZ-CG 4.11Å; F293-D322 HydrophobicContact CZ-CB 4.34Å; F293-F323 HydrophobicContact CD1-CB 4Å; F293-F323 HydrophobicContact CD1-CD2 4.28Å; F293-F323 HydrophobicContact CD1-CG 4.28Å; F293-F323 HydrophobicContact CD2-CB 4.44Å; F293-F323 AromaticContact CD2-CD2 3.54Å; F293-F323 HydrophobicContact CD2-CD2 3.54Å; F293-F323 HydrophobicContact CD2-CE2 4.2Å; F293-F323 HydrophobicContact CD2-CG 4.31Å; F293-F323 HydrophobicContact CE1-CB 3.6Å; F293-F323 HydrophobicContact CE1-CD2 4.46Å; F293-F323 HydrophobicContact CE1-CG 4.33Å; F293-F323 HydrophobicContact CE2-CB 4.01Å; F293-F323 AromaticContact CE2-CD2 3.68Å; F293-F323 HydrophobicContact CE2-CD2 3.68Å; F293-F323 HydrophobicContact CE2-CG 4.28Å; F293-F323 HydrophobicContact CG-CB 4.44Å; F293-F323 AromaticContact CG-CD2 3.87Å; F293-F323 HydrophobicContact CG-CD2 3.87Å; F293-F323 HydrophobicContact CG-CE2 4.48Å; F293-F323 HydrophobicContact CG-CG 4.31Å; F293-F323 HydrophobicContact CZ-CB 3.6Å; F293-F323 HydrophobicContact CZ-CD2 4.18Å; F293-F323 HydrophobicContact CZ-CG 4.33Å; F293-I326 HydrophobicContact CE2-CD1 3.69Å; F293-I326 HydrophobicContact CZ-CD1 4.09Å; F293-L341 HydrophobicContact CD2-CD1 4.37Å; F293-I479 HydrophobicContact CD1-CD1 4.09Å; F293-A482 HydrophobicContact CB-CB 4.32Å
294	F	91.5	Very high	93.6	Very high	59 Å²	59	40.3 Å²	40.3	26%	0.259	23%	0.233	S	C	.	.	H	α-helix	trans	-57.9	-41.6	168.4	-73.8	-56.1	0	0	0	112.2	K290 L296 V297 A298 A482 K485	K290-F294 HydrophobicContact CD-CE2 4.14Å; K290-F294 HydrophobicContact CG-CD2 3.96Å; K290-F294 HydrophobicContact CG-CE2 3.5Å; K290-F294 VanDerWaalsContact CG-CE2 3.5Å; K290-F294 HydrophobicContact CG-CZ 4.44Å; K290-F294 WeakPolarHBondContact O-CD2 3.42Å; K290-F294 PolarHBondContact O-N 3.17Å; F294-L296 VanDerWaalsContact C-N 3.32Å; F294-L296 PolarHBondContact O-N 3.41Å; F294-V297 PolarHBondContact O-N 3.29Å; F294-A298 WeakPolarHBondContact O-CB 3.35Å; F294-A298 PolarHBondContact O-N 2.84Å; F294-A482 WeakPolarHBondContact CD1-O 3.48Å; F294-A482 WeakPolarHBondContact CE1-O 3.15Å; F294-K485 HydrophobicContact CE1-CD 4.37Å; F294-K485 HydrophobicContact CE1-CG 3.81Å; F294-K485 HydrophobicContact CZ-CD 4.13Å; F294-K485 HydrophobicContact CZ-CG 3.8Å
295	A	93.9	Very high	93.5	Very high	14 Å²	14	38.4 Å²	38.4	12%	0.116	22%	0.223	C	C	.	.	H	α-helix	trans	-68.3	-28	179.1	0	0	0	0	0	113.3	F283 K291 A292 F293 N299	F283-A295 HydrophobicContact CE1-CB 3.64Å; F283-A295 HydrophobicContact CZ-CB 3.77Å; K291-A295 VanDerWaalsContact O-CB 3.27Å; K291-A295 WeakPolarHBondContact O-CB 3.37Å; K291-A295 PolarHBondContact O-N 3.26Å; A292-A295 PolarHBondContact O-N 3.03Å; F293-A295 VanDerWaalsContact C-N 3.28Å; F293-A295 PolarHBondContact O-N 3.17Å; A295-N299 VanDerWaalsContact O-CB 3.31Å; A295-N299 WeakPolarHBondContact O-CB 3.34Å; A295-N299 PolarHBondContact O-N 3.04Å; A295-N299 PolarHBondContact O-ND2 3.1Å
296	L	93.6	Very high	93.6	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-51	169.7	-71.7	-179.7	0	0	0	111	F283 A292 F293 F294 N299 G300 V301 A304	F283-L296 HydrophobicContact CE2-CD1 4.49Å; F283-L296 HydrophobicContact CE2-CD2 3.66Å; F283-L296 HydrophobicContact CE2-CG 3.77Å; F283-L296 HydrophobicContact CZ-CD2 3.81Å; F283-L296 HydrophobicContact CZ-CG 3.93Å; A292-L296 PolarHBondContact O-N 2.95Å; F293-L296 HydrophobicContact CD1-CD1 3.92Å; F293-L296 HydrophobicContact CE1-CD1 4.24Å; F293-L296 PolarHBondContact O-N 3.46Å; F294-L296 VanDerWaalsContact C-N 3.32Å; F294-L296 PolarHBondContact O-N 3.41Å; L296-N299 PolarHBondContact O-N 3.35Å; L296-G300 PolarHBondContact O-N 3.08Å; L296-G300 VanDerWaalsContact O-N 3.17Å; L296-V301 HydrophobicContact CB-CG2 4.42Å; L296-V301 WeakPolarHBondContact CB-O 3.28Å; L296-V301 HydrophobicContact CD2-CG2 3.64Å; L296-V301 PolarHBondContact O-N 2.79Å; L296-A304 HydrophobicContact CD2-CB 3.8Å
297	V	91.4	Very high	93.6	Very high	51 Å²	51	38.5 Å²	38.5	31%	0.309	22%	0.216	S	C	.	.	H	α-helix	trans	-56.5	-57.1	177.4	171.5	0	0	0	0	111	F293 F294 N299 G300 I479 A482 A483	F293-V297 PolarHBondContact O-N 3.16Å; F293-V297 VanDerWaalsContact O-N 3.13Å; F294-V297 PolarHBondContact O-N 3.29Å; V297-N299 PolarHBondContact O-N 2.85Å; V297-G300 PolarHBondContact O-N 3.3Å; V297-I479 HydrophobicContact CG2-CG1 3.74Å; V297-A482 HydrophobicContact CG2-CB 4.41Å; V297-A483 HydrophobicContact CB-CB 4.5Å; V297-A483 HydrophobicContact CG1-CB 3.54Å; V297-A483 HydrophobicContact CG2-CB 4.2Å
298	A	92.3	Very high	93.6	Very high	83 Å²	83	36.7 Å²	36.7	69%	0.686	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-11.2	-177.2	0	0	0	0	0	113.8	F294	F294-A298 WeakPolarHBondContact O-CB 3.35Å; F294-A298 PolarHBondContact O-N 2.84Å
299	N	93.5	Very high	93.6	Very high	48 Å²	48	36.1 Å²	36.1	26%	0.257	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-3.6	172.9	-84.2	-82.6	0	0	0	114.3	K279 V281 A295 L296 V297 V301	K279-N299 WeakPolarHBondContact CE-OD1 3.19Å; K279-N299 PolarHBondContact NZ-O 3.22Å; K279-N299 PolarHBondContact NZ-OD1 2.86Å; V281-N299 HydrophobicContact CG2-CB 3.83Å; A295-N299 VanDerWaalsContact O-CB 3.31Å; A295-N299 WeakPolarHBondContact O-CB 3.34Å; A295-N299 PolarHBondContact O-N 3.04Å; A295-N299 PolarHBondContact O-ND2 3.1Å; L296-N299 PolarHBondContact O-N 3.35Å; V297-N299 PolarHBondContact O-N 2.85Å; N299-V301 HydrophobicContact CB-CG1 4.44Å; N299-V301 HydrophobicContact CB-CG2 3.79Å; N299-V301 PolarHBondContact O-N 3.31Å
300	G	90.6	Very high	93.7	Very high	70 Å²	70	43 Å²	43	72%	0.722	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.9	17.3	-174.9	0	0	0	0	0	114.3	L296 V297	L296-G300 PolarHBondContact O-N 3.08Å; L296-G300 VanDerWaalsContact O-N 3.17Å; V297-G300 PolarHBondContact O-N 3.3Å
301	V	92.5	Very high	93.8	Very high	33 Å²	33	46.5 Å²	46.5	20%	0.2	26%	0.255	C	S	.	.			trans	-105.7	141.2	-172.5	-67	0	0	0	0	112.2	V281 L296 N299	V281-V301 HydrophobicContact CB-CG2 4.15Å; V281-V301 HydrophobicContact CG2-CG1 4.24Å; V281-V301 HydrophobicContact CG2-CG2 3.89Å; L296-V301 HydrophobicContact CB-CG2 4.42Å; L296-V301 WeakPolarHBondContact CB-O 3.28Å; L296-V301 HydrophobicContact CD2-CG2 3.64Å; L296-V301 PolarHBondContact O-N 2.79Å; N299-V301 HydrophobicContact CB-CG1 4.44Å; N299-V301 HydrophobicContact CB-CG2 3.79Å; N299-V301 PolarHBondContact O-N 3.31Å
302	R	91.3	Very high	93.8	Very high	71 Å²	71	47.2 Å²	47.2	27%	0.268	26%	0.259	S	S	.	.	S	Bend	trans	-97.3	-0.4	-174.5	-62.7	-179.5	178.6	-178.6	-1.6	114.3	I320 F476 H530	R302-I320 HydrophobicContact CB-CD1 4.2Å; R302-I320 HydrophobicContact CG-CD1 4.34Å; R302-F476 HydrophobicContact CG-CD2 4.02Å; R302-F476 HydrophobicContact CG-CE2 4.08Å; R302-H530 PolarHBondContact NH1-NE2 2.78Å
303	A	95.6	Very high	93.8	Very high	5 Å²	5	49.3 Å²	49.3	4%	0.041	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.1	160	174.4	0	0	0	0	0	110.5	M317 L318 T319 R384	A303-M317 HydrophobicContact CB-CE 4.17Å; A303-L318 CarbonylContact C-O 3.56Å; A303-L318 WeakPolarHBondContact CA-O 3.42Å; A303-L318 WeakPolarHBondContact CB-O 3.39Å; A303-T319 HydrophobicContact CB-CG2 4.14Å; A303-R384 HydrophobicContact CB-CG 3.85Å
304	A	97.3	Very high	93.9	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.8	173.4	0	0	0	0	0	110.8	V281 F283 L296 M317 L318	V281-A304 HydrophobicContact CG1-CB 4.44Å; V281-A304 WeakPolarHBondContact O-CA 3.37Å; V281-A304 WeakPolarHBondContact O-CB 3.41Å; F283-A304 HydrophobicContact CD2-CB 3.62Å; F283-A304 HydrophobicContact CE2-CB 3.52Å; F283-A304 HydrophobicContact CG-CB 4.3Å; F283-A304 HydrophobicContact CZ-CB 4.13Å; L296-A304 HydrophobicContact CD2-CB 3.8Å; A304-M317 CarbonylContact O-C 3.55Å; A304-M317 WeakPolarHBondContact O-CA 3.38Å; A304-L318 PolarHBondContact N-O 3.15Å; A304-L318 PolarHBondContact O-N 2.96Å
305	P	96.7	Very high	93.9	Very high	2 Å²	2	49 Å²	49	1%	0.013	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	150.4	168.5	-16.6	33.2	0	0	0	111.3	L280 V281 V282 F283 F314 M317 A395	L280-P305 HydrophobicContact CD1-CG 4.14Å; L280-P305 HydrophobicContact CD2-CG 4.44Å; V281-P305 WeakPolarHBondContact O-CD 3.39Å; V282-P305 HydrophobicContact CG2-CG 4.41Å; F283-P305 PolarHBondContact N-O 2.59Å; F283-P305 VanDerWaalsContact N-O 3.09Å; P305-F314 HydrophobicContact CB-CD1 3.69Å; P305-F314 HydrophobicContact CB-CE1 3.83Å; P305-M317 HydrophobicContact CB-SD 3.93Å; P305-M317 HydrophobicContact CG-CE 4.12Å; P305-M317 HydrophobicContact CG-SD 3.99Å; P305-A395 HydrophobicContact CG-CB 4.48Å
306	L	96.7	Very high	93.9	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	120.4	179.3	-63.6	-178.9	0	0	0	110.7	F283 T285 F314 V315 G316 L318 I346	F283-L306 HydrophobicContact CB-CD2 4.06Å; F283-L306 WeakPolarHBondContact O-CA 3.31Å; T285-L306 HydrophobicContact CG2-CB 4.31Å; L306-F314 CarbonylContact O-C 3.51Å; L306-F314 VanDerWaalsContact O-CA 3.3Å; L306-F314 WeakPolarHBondContact O-CA 3.24Å; L306-V315 HydrophobicContact CB-CG2 4.25Å; L306-V315 PolarHBondContact O-N 2.99Å; L306-G316 PolarHBondContact N-O 3.05Å; L306-L318 HydrophobicContact CD1-CB 4.43Å; L306-L318 HydrophobicContact CD2-CB 3.92Å; L306-L318 HydrophobicContact CG-CB 4.32Å; L306-I346 HydrophobicContact CD1-CG2 3.55Å; L306-I346 HydrophobicContact CD2-CD1 3.89Å; L306-I346 HydrophobicContact CD2-CG2 3.74Å; L306-I346 HydrophobicContact CG-CG2 4.24Å
307	W	96.6	Very high	94	Very high	66 Å²	66	50.2 Å²	50.2	25%	0.25	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.7	176.1	177.9	-98.5	0	0	0	110.2	V282 F283 D284 T285 S309 Q312 F314	V282-W307 HydrophobicContact CG1-CB 3.83Å; F283-W307 PolarHBondContact O-N 3Å; D284-W307 CarbonylContact C-O 3.55Å; D284-W307 WeakPolarHBondContact CA-O 3.45Å; T285-W307 PolarHBondContact N-O 3.23Å; W307-S309 PolarHBondContact NE1-OG 3.49Å; W307-Q312 HydrophobicContact CH2-CB 4.37Å; W307-Q312 VanDerWaalsContact CH2-O 3.25Å; W307-Q312 WeakPolarHBondContact CH2-O 3.49Å; W307-Q312 HydrophobicContact CZ2-CB 4.15Å; W307-F314 HydrophobicContact CB-CE1 4.48Å; W307-F314 HydrophobicContact CE3-CD1 4.22Å; W307-F314 HydrophobicContact CE3-CD2 4.1Å; W307-F314 HydrophobicContact CE3-CE1 4.12Å; W307-F314 AromaticContact CE3-CE2 3.98Å; W307-F314 HydrophobicContact CE3-CE2 3.98Å; W307-F314 HydrophobicContact CE3-CG 4.21Å; W307-F314 AromaticContact CE3-CZ 3.99Å; W307-F314 HydrophobicContact CE3-CZ 3.99Å; W307-F314 HydrophobicContact CZ3-CD2 4.17Å; W307-F314 HydrophobicContact CZ3-CE2 4.03Å; W307-F314 HydrophobicContact CZ3-CZ 4.43Å
308	E	95	Very high	94.2	Very high	18 Å²	18	47.9 Å²	47.9	8%	0.084	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	98.5	173.7	-172	179.4	161.9	0	0	109.8	T285 K310 K311 Q312 S313 V315	T285-E308 HydrophobicContact CG2-CB 4.19Å; E308-K310 HydrophobicContact CG-CB 4.18Å; E308-K310 PolarHBondContact O-N 3.01Å; E308-K311 HydrophobicContact CB-CB 4.45Å; E308-K311 HydrophobicContact CG-CB 4.42Å; E308-K311 HydrophobicContact CG-CG 4.34Å; E308-K311 CarbonylContact O-C 3.57Å; E308-K311 PolarHBondContact O-N 3.36Å; E308-K311 IonicContact OE1-NZ 3.2Å; E308-K311 PolarHBondContact OE1-NZ 2.89Å; E308-K311 IonicContact OE2-NZ 2.6Å; E308-K311 PolarHBondContact OE2-NZ 3.28Å; E308-Q312 PolarHBondContact O-N 3.06Å; E308-S313 PolarHBondContact N-O 2.79Å; E308-V315 HydrophobicContact CB-CB 4.39Å; E308-V315 HydrophobicContact CB-CG1 3.59Å; E308-V315 HydrophobicContact CB-CG2 3.89Å
309	S	95.2	Very high	94.2	Very high	56 Å²	56	45.2 Å²	45.2	39%	0.392	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.7	-178.5	-71.5	0	0	0	0	114.4	D284 W307 K311 Q312	D284-S309 VanDerWaalsContact OD2-CB 3.26Å; D284-S309 WeakPolarHBondContact OD2-CB 3.48Å; D284-S309 PolarHBondContact OD2-OG 2.95Å; W307-S309 PolarHBondContact NE1-OG 3.49Å; S309-K311 VanDerWaalsContact C-N 3.34Å; S309-Q312 PolarHBondContact O-NE2 2.62Å
310	K	94.3	Very high	94.2	Very high	146 Å²	146	43.6 Å²	43.6	64%	0.635	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-30.2	173.2	-61.9	165.2	-178.9	161.7	0	113.1	E308 E347	E308-K310 HydrophobicContact CG-CB 4.18Å; E308-K310 PolarHBondContact O-N 3.01Å; K310-E347 IonicContact NZ-OE2 2.65Å; K310-E347 PolarHBondContact NZ-OE2 2.93Å
311	K	91.7	Very high	94.3	Very high	127 Å²	127	42.8 Å²	42.8	55%	0.552	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	0.6	-178.4	-63.1	-169.7	-175.9	76.4	0	113.8	E308 S309 S313	E308-K311 HydrophobicContact CB-CB 4.45Å; E308-K311 HydrophobicContact CG-CB 4.42Å; E308-K311 HydrophobicContact CG-CG 4.34Å; E308-K311 CarbonylContact O-C 3.57Å; E308-K311 PolarHBondContact O-N 3.36Å; E308-K311 IonicContact OE1-NZ 3.2Å; E308-K311 PolarHBondContact OE1-NZ 2.89Å; E308-K311 IonicContact OE2-NZ 2.6Å; E308-K311 PolarHBondContact OE2-NZ 3.28Å; S309-K311 VanDerWaalsContact C-N 3.34Å; K311-S313 WeakPolarHBondContact CB-OG 3.04Å; K311-S313 PolarHBondContact O-N 3.13Å; K311-S313 VanDerWaalsContact O-N 3.16Å; K311-S313 PolarHBondContact O-OG 3.41Å
312	Q	93.1	Very high	94.3	Very high	133 Å²	133	42.5 Å²	42.5	62%	0.621	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.3	45.1	-177.3	-65.4	-67.6	-64.5	0	0	113.3	W307 E308 S309	W307-Q312 HydrophobicContact CH2-CB 4.37Å; W307-Q312 VanDerWaalsContact CH2-O 3.25Å; W307-Q312 WeakPolarHBondContact CH2-O 3.49Å; W307-Q312 HydrophobicContact CZ2-CB 4.15Å; E308-Q312 PolarHBondContact O-N 3.06Å; S309-Q312 PolarHBondContact O-NE2 2.62Å
313	S	93.6	Very high	94.4	Very high	44 Å²	44	39.2 Å²	39.2	31%	0.308	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	160.6	-172.6	42	0	0	0	0	112.9	E308 K311	E308-S313 PolarHBondContact N-O 2.79Å; K311-S313 WeakPolarHBondContact CB-OG 3.04Å; K311-S313 PolarHBondContact O-N 3.13Å; K311-S313 VanDerWaalsContact O-N 3.16Å; K311-S313 PolarHBondContact O-OG 3.41Å
314	F	94.9	Very high	94.3	Very high	39 Å²	39	39 Å²	39	17%	0.171	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127	170.9	-69.7	-76.8	0	0	0	110.6	V282 P305 L306 W307 L361 I388 G393 A395	V282-F314 HydrophobicContact CG1-CE1 3.81Å; V282-F314 HydrophobicContact CG2-CE1 4.08Å; V282-F314 HydrophobicContact CG2-CZ 4.49Å; P305-F314 HydrophobicContact CB-CD1 3.69Å; P305-F314 HydrophobicContact CB-CE1 3.83Å; L306-F314 CarbonylContact O-C 3.51Å; L306-F314 VanDerWaalsContact O-CA 3.3Å; L306-F314 WeakPolarHBondContact O-CA 3.24Å; W307-F314 HydrophobicContact CB-CE1 4.48Å; W307-F314 HydrophobicContact CE3-CD1 4.22Å; W307-F314 HydrophobicContact CE3-CD2 4.1Å; W307-F314 HydrophobicContact CE3-CE1 4.12Å; W307-F314 AromaticContact CE3-CE2 3.98Å; W307-F314 HydrophobicContact CE3-CE2 3.98Å; W307-F314 HydrophobicContact CE3-CG 4.21Å; W307-F314 AromaticContact CE3-CZ 3.99Å; W307-F314 HydrophobicContact CE3-CZ 3.99Å; W307-F314 HydrophobicContact CZ3-CD2 4.17Å; W307-F314 HydrophobicContact CZ3-CE2 4.03Å; W307-F314 HydrophobicContact CZ3-CZ 4.43Å; F314-L361 HydrophobicContact CB-CD2 3.61Å; F314-I388 HydrophobicContact CB-CD1 4.18Å; F314-I388 HydrophobicContact CD2-CD1 4.17Å; F314-I388 HydrophobicContact CG-CD1 4.33Å; F314-G393 WeakPolarHBondContact CE2-O 3.35Å; F314-A395 HydrophobicContact CD2-CB 4.44Å; F314-A395 HydrophobicContact CE1-CB 4.08Å; F314-A395 HydrophobicContact CE2-CB 3.83Å; F314-A395 HydrophobicContact CZ-CB 3.63Å
315	V	93	Very high	94	Very high	16 Å²	16	39.7 Å²	39.7	10%	0.097	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	-3.5	-167.7	-56.8	0	0	0	0	114.7	T285 L306 E308 R350	T285-V315 HydrophobicContact CG2-CG2 3.82Å; L306-V315 HydrophobicContact CB-CG2 4.25Å; L306-V315 PolarHBondContact O-N 2.99Å; E308-V315 HydrophobicContact CB-CB 4.39Å; E308-V315 HydrophobicContact CB-CG1 3.59Å; E308-V315 HydrophobicContact CB-CG2 3.89Å; V315-R350 PolarHBondContact O-NE 2.95Å; V315-R350 PolarHBondContact O-NH2 3.46Å
316	G	93.5	Very high	93.7	Very high	10 Å²	10	39.7 Å²	39.7	10%	0.103	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-175.6	-179	0	0	0	0	0	112.9	L306	L306-G316 PolarHBondContact N-O 3.05Å
317	M	94.9	Very high	93.4	Very high	31 Å²	31	39.5 Å²	39.5	15%	0.153	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.3	168.4	-63.7	-64.7	-62.1	0	0	108.1	A303 A304 P305 T319 L361 R384 P386 I398	A303-M317 HydrophobicContact CB-CE 4.17Å; A304-M317 CarbonylContact O-C 3.55Å; A304-M317 WeakPolarHBondContact O-CA 3.38Å; P305-M317 HydrophobicContact CB-SD 3.93Å; P305-M317 HydrophobicContact CG-CE 4.12Å; P305-M317 HydrophobicContact CG-SD 3.99Å; M317-T319 HydrophobicContact CB-CG2 4.19Å; M317-L361 HydrophobicContact CG-CD1 3.91Å; M317-L361 HydrophobicContact SD-CD1 4.44Å; M317-R384 HydrophobicContact CE-CB 4.44Å; M317-P386 HydrophobicContact SD-CB 4.08Å; M317-P386 HydrophobicContact SD-CG 3.86Å; M317-I398 HydrophobicContact CE-CD1 3.84Å; M317-I398 HydrophobicContact CE-CG1 4.14Å; M317-I398 HydrophobicContact CE-CG2 4.23Å
318	L	95	Very high	93.1	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	130.9	163.3	-170.7	70.8	0	0	0	108.9	F283 A292 F293 A303 A304 L306 D322 I346	F283-L318 HydrophobicContact CD2-CD2 3.93Å; F283-L318 HydrophobicContact CE2-CD2 4.01Å; A292-L318 HydrophobicContact CB-CD2 3.59Å; F293-L318 HydrophobicContact CD1-CD2 4.49Å; F293-L318 HydrophobicContact CE1-CD1 4.18Å; F293-L318 HydrophobicContact CE1-CD2 4.01Å; F293-L318 HydrophobicContact CE1-CG 3.95Å; F293-L318 HydrophobicContact CZ-CD1 3.83Å; F293-L318 HydrophobicContact CZ-CD2 4.19Å; F293-L318 HydrophobicContact CZ-CG 4.11Å; A303-L318 CarbonylContact C-O 3.56Å; A303-L318 WeakPolarHBondContact CA-O 3.42Å; A303-L318 WeakPolarHBondContact CB-O 3.39Å; A304-L318 PolarHBondContact N-O 3.15Å; A304-L318 PolarHBondContact O-N 2.96Å; L306-L318 HydrophobicContact CD1-CB 4.43Å; L306-L318 HydrophobicContact CD2-CB 3.92Å; L306-L318 HydrophobicContact CG-CB 4.32Å; L318-D322 HydrophobicContact CD1-CB 3.86Å; L318-I346 HydrophobicContact CD2-CD1 4.26Å
319	T	94.3	Very high	92.8	Very high	27 Å²	27	42.7 Å²	42.7	17%	0.166	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	171.1	-175.7	79	0	0	0	0	111.4	A303 M317 T321 D322 F323	A303-T319 HydrophobicContact CB-CG2 4.14Å; M317-T319 HydrophobicContact CB-CG2 4.19Å; T319-T321 PolarHBondContact O-N 3.45Å; T319-T321 WeakPolarHBondContact OG1-CB 3.45Å; T319-T321 PolarHBondContact OG1-N 2.76Å; T319-T321 VanDerWaalsContact OG1-N 3.13Å; T319-D322 WeakPolarHBondContact CA-OD2 3.15Å; T319-D322 WeakPolarHBondContact CB-OD2 3.29Å; T319-D322 PolarHBondContact N-OD2 2.92Å; T319-D322 WeakPolarHBondContact O-CB 3.27Å; T319-D322 PolarHBondContact O-N 3.26Å; T319-D322 VanDerWaalsContact O-N 3.11Å; T319-D322 PolarHBondContact OG1-OD2 2.87Å; T319-F323 PolarHBondContact O-N 3.11Å
320	I	93.2	Very high	92.5	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.067	20%	0.201	C	C	.	.	H	α-helix	trans	-67.4	-19	174.3	-41.8	168.2	0	0	0	111.9	R302 D322 F323 I324 K475 F476 I479	R302-I320 HydrophobicContact CB-CD1 4.2Å; R302-I320 HydrophobicContact CG-CD1 4.34Å; I320-D322 VanDerWaalsContact C-N 3.3Å; I320-D322 PolarHBondContact O-N 3.11Å; I320-F323 HydrophobicContact CG2-CB 4.46Å; I320-F323 WeakPolarHBondContact O-CB 3.32Å; I320-F323 PolarHBondContact O-N 2.63Å; I320-I324 WeakPolarHBondContact O-CD1 3.47Å; I320-I324 WeakPolarHBondContact O-CG1 3.32Å; I320-I324 PolarHBondContact O-N 3.29Å; I320-I324 VanDerWaalsContact O-N 3.09Å; I320-K475 WeakPolarHBondContact CG2-O 3.21Å; I320-F476 HydrophobicContact CD1-CD2 4.12Å; I320-I479 HydrophobicContact CD1-CB 4.13Å; I320-I479 HydrophobicContact CD1-CG2 4.4Å; I320-I479 HydrophobicContact CG1-CB 4.36Å; I320-I479 HydrophobicContact CG1-CD1 4.24Å; I320-I479 HydrophobicContact CG1-CG1 4.4Å; I320-I479 HydrophobicContact CG2-CB 4.06Å; I320-I479 HydrophobicContact CG2-CD1 4.05Å
321	T	92.9	Very high	92.2	Very high	54 Å²	54	35.5 Å²	35.5	33%	0.331	17%	0.174	S	C	.	.	H	α-helix	trans	-67.1	-35	171.9	-55.2	0	0	0	0	111.1	T319 I324 N325	T319-T321 PolarHBondContact O-N 3.45Å; T319-T321 WeakPolarHBondContact OG1-CB 3.45Å; T319-T321 PolarHBondContact OG1-N 2.76Å; T319-T321 VanDerWaalsContact OG1-N 3.13Å; T321-I324 PolarHBondContact O-N 3.38Å; T321-N325 PolarHBondContact O-N 3.34Å; T321-N325 PolarHBondContact O-ND2 3.46Å; T321-N325 PolarHBondContact O-OD1 2.95Å
322	D	92.4	Very high	91.9	Very high	27 Å²	27	36.4 Å²	36.4	14%	0.144	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	-40.8	175.9	-52.4	-85.7	0	0	0	110.7	F293 L318 T319 I320 I324 N325 I326	F293-D322 HydrophobicContact CZ-CB 4.34Å; L318-D322 HydrophobicContact CD1-CB 3.86Å; T319-D322 WeakPolarHBondContact CA-OD2 3.15Å; T319-D322 WeakPolarHBondContact CB-OD2 3.29Å; T319-D322 PolarHBondContact N-OD2 2.92Å; T319-D322 WeakPolarHBondContact O-CB 3.27Å; T319-D322 PolarHBondContact O-N 3.26Å; T319-D322 VanDerWaalsContact O-N 3.11Å; T319-D322 PolarHBondContact OG1-OD2 2.87Å; I320-D322 VanDerWaalsContact C-N 3.3Å; I320-D322 PolarHBondContact O-N 3.11Å; D322-I324 PolarHBondContact O-N 3.08Å; D322-N325 PolarHBondContact O-N 2.83Å; D322-I326 VanDerWaalsContact O-CD1 3.31Å; D322-I326 WeakPolarHBondContact O-CD1 3.46Å; D322-I326 VanDerWaalsContact O-CG1 3.23Å; D322-I326 WeakPolarHBondContact O-CG1 3.35Å; D322-I326 PolarHBondContact O-N 3.41Å
323	F	92.1	Very high	91.3	Very high	2 Å²	2	32 Å²	32	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-57.5	-47.8	173	-171.1	-129.8	0	0	0	111.7	F293 T319 I320 N325 I326 L327 L341 V478 I479 A482	F293-F323 HydrophobicContact CD1-CB 4Å; F293-F323 HydrophobicContact CD1-CD2 4.28Å; F293-F323 HydrophobicContact CD1-CG 4.28Å; F293-F323 HydrophobicContact CD2-CB 4.44Å; F293-F323 AromaticContact CD2-CD2 3.54Å; F293-F323 HydrophobicContact CD2-CD2 3.54Å; F293-F323 HydrophobicContact CD2-CE2 4.2Å; F293-F323 HydrophobicContact CD2-CG 4.31Å; F293-F323 HydrophobicContact CE1-CB 3.6Å; F293-F323 HydrophobicContact CE1-CD2 4.46Å; F293-F323 HydrophobicContact CE1-CG 4.33Å; F293-F323 HydrophobicContact CE2-CB 4.01Å; F293-F323 AromaticContact CE2-CD2 3.68Å; F293-F323 HydrophobicContact CE2-CD2 3.68Å; F293-F323 HydrophobicContact CE2-CG 4.28Å; F293-F323 HydrophobicContact CG-CB 4.44Å; F293-F323 AromaticContact CG-CD2 3.87Å; F293-F323 HydrophobicContact CG-CD2 3.87Å; F293-F323 HydrophobicContact CG-CE2 4.48Å; F293-F323 HydrophobicContact CG-CG 4.31Å; F293-F323 HydrophobicContact CZ-CB 3.6Å; F293-F323 HydrophobicContact CZ-CD2 4.18Å; F293-F323 HydrophobicContact CZ-CG 4.33Å; T319-F323 PolarHBondContact O-N 3.11Å; I320-F323 HydrophobicContact CG2-CB 4.46Å; I320-F323 WeakPolarHBondContact O-CB 3.32Å; I320-F323 PolarHBondContact O-N 2.63Å; F323-N325 VanDerWaalsContact C-N 3.35Å; F323-N325 PolarHBondContact O-N 3.41Å; F323-I326 PolarHBondContact O-N 3.18Å; F323-L327 HydrophobicContact CD1-CD1 4.1Å; F323-L327 HydrophobicContact CD2-CG 4.43Å; F323-L327 HydrophobicContact CE1-CD1 3.69Å; F323-L327 HydrophobicContact CE1-CG 4.42Å; F323-L327 HydrophobicContact CE2-CD1 4.28Å; F323-L327 HydrophobicContact CE2-CD2 4.13Å; F323-L327 HydrophobicContact CE2-CG 4.16Å; F323-L327 HydrophobicContact CZ-CD1 3.79Å; F323-L327 HydrophobicContact CZ-CD2 4.17Å; F323-L327 HydrophobicContact CZ-CG 4.16Å; F323-L327 WeakPolarHBondContact O-CG 3.32Å; F323-L327 PolarHBondContact O-N 2.72Å; F323-L341 HydrophobicContact CE2-CD1 4.4Å; F323-L341 HydrophobicContact CE2-CD2 4.16Å; F323-V478 HydrophobicContact CD1-CG1 4.12Å; F323-V478 HydrophobicContact CE1-CG1 4.26Å; F323-V478 WeakPolarHBondContact CE1-O 3.18Å; F323-I479 HydrophobicContact CD1-CD1 4.08Å; F323-I479 HydrophobicContact CG-CD1 4.44Å; F323-A482 HydrophobicContact CE1-CB 3.89Å; F323-A482 HydrophobicContact CE2-CB 4.29Å; F323-A482 HydrophobicContact CZ-CB 3.68Å
324	I	93.1	Very high	90.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-44.5	176.6	-68.5	162.8	0	0	0	111.3	I320 T321 D322 I326 L327 H328 L449 F452 V453 K475 V478	I320-I324 WeakPolarHBondContact O-CD1 3.47Å; I320-I324 WeakPolarHBondContact O-CG1 3.32Å; I320-I324 PolarHBondContact O-N 3.29Å; I320-I324 VanDerWaalsContact O-N 3.09Å; T321-I324 PolarHBondContact O-N 3.38Å; D322-I324 PolarHBondContact O-N 3.08Å; I324-I326 VanDerWaalsContact C-N 3.32Å; I324-I326 PolarHBondContact O-N 3.3Å; I324-L327 PolarHBondContact O-N 3.44Å; I324-H328 WeakPolarHBondContact O-CB 3.37Å; I324-H328 PolarHBondContact O-N 2.9Å; I324-L449 HydrophobicContact CG1-CD2 4.24Å; I324-L449 HydrophobicContact CG2-CB 4.37Å; I324-L449 HydrophobicContact CG2-CD2 4.25Å; I324-F452 HydrophobicContact CD1-CD2 4.13Å; I324-F452 HydrophobicContact CG2-CB 4.11Å; I324-V453 HydrophobicContact CG2-CG2 3.9Å; I324-K475 HydrophobicContact CD1-CB 3.89Å; I324-K475 HydrophobicContact CD1-CD 3.73Å; I324-K475 HydrophobicContact CD1-CG 3.48Å; I324-K475 VanDerWaalsContact CD1-CG 3.48Å; I324-V478 HydrophobicContact CD1-CB 4.38Å; I324-V478 HydrophobicContact CD1-CG2 4.03Å; I324-V478 HydrophobicContact CG1-CB 4.2Å; I324-V478 HydrophobicContact CG1-CG1 3.86Å; I324-V478 HydrophobicContact CG1-CG2 4.15Å
325	N	92	Very high	89.8	Confident	14 Å²	14	38.7 Å²	38.7	8%	0.075	20%	0.195	C	C	.	.	H	α-helix	trans	-62.2	-38	178	-66.4	-19.2	0	0	0	112.2	T321 D322 F323 R329 W349 Y353	T321-N325 PolarHBondContact O-N 3.34Å; T321-N325 PolarHBondContact O-ND2 3.46Å; T321-N325 PolarHBondContact O-OD1 2.95Å; D322-N325 PolarHBondContact O-N 2.83Å; F323-N325 VanDerWaalsContact C-N 3.35Å; F323-N325 PolarHBondContact O-N 3.41Å; N325-R329 WeakPolarHBondContact O-CB 3.41Å; N325-R329 PolarHBondContact O-N 3.41Å; N325-W349 HydrophobicContact CB-CH2 4.12Å; N325-W349 HydrophobicContact CB-CZ2 3.8Å; N325-Y353 HydrophobicContact CB-CE2 4.22Å; N325-Y353 WeakPolarHBondContact ND2-CE2 3.38Å; N325-Y353 VanDerWaalsContact ND2-CZ 3.28Å; N325-Y353 PolarHBondContact ND2-OH 2.76Å; N325-Y353 VanDerWaalsContact ND2-OH 3.15Å
326	I	90.8	Very high	89.2	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-68.9	-50.7	178	-64.3	155.2	0	0	0	110.3	V289 F293 D322 F323 I324 H328 R329 Y330 L341 W349	V289-I326 HydrophobicContact CG1-CD1 3.58Å; F293-I326 HydrophobicContact CE2-CD1 3.69Å; F293-I326 HydrophobicContact CZ-CD1 4.09Å; D322-I326 VanDerWaalsContact O-CD1 3.31Å; D322-I326 WeakPolarHBondContact O-CD1 3.46Å; D322-I326 VanDerWaalsContact O-CG1 3.23Å; D322-I326 WeakPolarHBondContact O-CG1 3.35Å; D322-I326 PolarHBondContact O-N 3.41Å; F323-I326 PolarHBondContact O-N 3.18Å; I324-I326 VanDerWaalsContact C-N 3.32Å; I324-I326 PolarHBondContact O-N 3.3Å; I326-H328 VanDerWaalsContact C-N 3.32Å; I326-H328 PolarHBondContact O-N 2.86Å; I326-R329 PolarHBondContact O-N 2.65Å; I326-Y330 HydrophobicContact CG2-CD2 3.84Å; I326-Y330 HydrophobicContact CG2-CE2 4.23Å; I326-Y330 WeakPolarHBondContact O-CD2 3.48Å; I326-Y330 PolarHBondContact O-N 3.4Å; I326-Y330 VanDerWaalsContact O-N 3.07Å; I326-L341 HydrophobicContact CG2-CB 4.22Å; I326-L341 HydrophobicContact CG2-CD1 3.84Å; I326-W349 HydrophobicContact CB-CH2 4.43Å; I326-W349 HydrophobicContact CB-CZ3 4.5Å; I326-W349 HydrophobicContact CD1-CD2 3.98Å; I326-W349 HydrophobicContact CD1-CG 4.16Å; I326-W349 HydrophobicContact CD1-CZ2 4.4Å; I326-W349 HydrophobicContact CG1-CD2 3.51Å; I326-W349 VanDerWaalsContact CG1-CE2 3.41Å; I326-W349 HydrophobicContact CG1-CE3 3.68Å; I326-W349 HydrophobicContact CG1-CG 4.22Å; I326-W349 HydrophobicContact CG1-CH2 3.66Å; I326-W349 HydrophobicContact CG1-CZ2 3.52Å; I326-W349 HydrophobicContact CG1-CZ3 3.74Å
327	L	90.8	Very high	88.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.8	-48.5	176.5	-67.4	-177.5	0	0	0	110.9	F323 I324 R329 Y330 Y331 I338 L341 L449 V478 L490	F323-L327 HydrophobicContact CD1-CD1 4.1Å; F323-L327 HydrophobicContact CD2-CG 4.43Å; F323-L327 HydrophobicContact CE1-CD1 3.69Å; F323-L327 HydrophobicContact CE1-CG 4.42Å; F323-L327 HydrophobicContact CE2-CD1 4.28Å; F323-L327 HydrophobicContact CE2-CD2 4.13Å; F323-L327 HydrophobicContact CE2-CG 4.16Å; F323-L327 HydrophobicContact CZ-CD1 3.79Å; F323-L327 HydrophobicContact CZ-CD2 4.17Å; F323-L327 HydrophobicContact CZ-CG 4.16Å; F323-L327 WeakPolarHBondContact O-CG 3.32Å; F323-L327 PolarHBondContact O-N 2.72Å; I324-L327 PolarHBondContact O-N 3.44Å; L327-R329 VanDerWaalsContact C-N 3.34Å; L327-R329 PolarHBondContact O-N 2.6Å; L327-Y330 PolarHBondContact O-N 3.01Å; L327-Y331 WeakPolarHBondContact O-CB 3.33Å; L327-Y331 PolarHBondContact O-N 2.8Å; L327-I338 HydrophobicContact CD2-CD1 3.69Å; L327-L341 HydrophobicContact CD2-CD2 4.25Å; L327-L449 HydrophobicContact CB-CD1 3.85Å; L327-L449 HydrophobicContact CD1-CD1 3.98Å; L327-V478 HydrophobicContact CD1-CG1 4.25Å; L327-L490 HydrophobicContact CB-CD1 4Å; L327-L490 HydrophobicContact CD1-CD1 4.35Å; L327-L490 HydrophobicContact CD1-CD2 4.39Å; L327-L490 HydrophobicContact CD2-CD1 4.46Å
328	H	90.1	Very high	87.9	Confident	64 Å²	64	44.5 Å²	44.5	30%	0.296	22%	0.223	S	C	.	.	H	α-helix	trans	-59.2	-38.7	177.7	-179.5	-86.8	0	0	0	113.6	I324 I326 N450 V453	I324-H328 WeakPolarHBondContact O-CB 3.37Å; I324-H328 PolarHBondContact O-N 2.9Å; I326-H328 VanDerWaalsContact C-N 3.32Å; I326-H328 PolarHBondContact O-N 2.86Å; H328-N450 PolarHBondContact CD2-OD1 2.82Å; H328-N450 PolarHBondContact NE2-OD1 2.72Å; H328-V453 HydrophobicContact CB-CG2 3.98Å
329	R	88.8	Confident	87.2	Confident	88 Å²	88	50.6 Å²	50.6	33%	0.332	25%	0.247	S	C	.	.	H	α-helix	trans	-72.7	-44.2	-178.1	-167.1	-178.4	-169	104.8	-1.7	112.2	N325 I326 L327 K332 E356	N325-R329 WeakPolarHBondContact O-CB 3.41Å; N325-R329 PolarHBondContact O-N 3.41Å; I326-R329 PolarHBondContact O-N 2.65Å; L327-R329 VanDerWaalsContact C-N 3.34Å; L327-R329 PolarHBondContact O-N 2.6Å; R329-K332 PolarHBondContact O-NZ 3.08Å; R329-E356 IonicContact CZ-OE1 2.68Å; R329-E356 IonicContact CZ-OE2 2.65Å; R329-E356 IonicContact NH1-OE1 2.67Å; R329-E356 PolarHBondContact NH1-OE1 3.34Å; R329-E356 IonicContact NH1-OE2 2.65Å; R329-E356 PolarHBondContact NH1-OE2 3.1Å; R329-E356 IonicContact NH2-OE1 2.82Å; R329-E356 PolarHBondContact NH2-OE1 3.15Å
330	Y	88	Confident	86.6	Confident	31 Å²	31	52.5 Å²	52.5	12%	0.122	25%	0.254	C	S	.	.	H	α-helix	trans	-101.1	-20.6	-168.4	-63.4	-71.3	0	0	0	114.8	I326 L327 K332 I338 E340 H344 W349	I326-Y330 HydrophobicContact CG2-CD2 3.84Å; I326-Y330 HydrophobicContact CG2-CE2 4.23Å; I326-Y330 WeakPolarHBondContact O-CD2 3.48Å; I326-Y330 PolarHBondContact O-N 3.4Å; I326-Y330 VanDerWaalsContact O-N 3.07Å; L327-Y330 PolarHBondContact O-N 3.01Å; Y330-K332 PolarHBondContact O-N 2.94Å; Y330-I338 HydrophobicContact CG-CG2 4.44Å; Y330-E340 HydrophobicContact CD1-CB 3.73Å; Y330-E340 HydrophobicContact CD1-CG 3.59Å; Y330-E340 WeakPolarHBondContact CD1-OE1 3.11Å; Y330-E340 HydrophobicContact CD2-CB 4.19Å; Y330-E340 HydrophobicContact CE1-CB 3.7Å; Y330-E340 HydrophobicContact CE1-CG 3.58Å; Y330-E340 HydrophobicContact CE2-CB 4.18Å; Y330-E340 HydrophobicContact CG-CB 3.97Å; Y330-E340 HydrophobicContact CG-CG 4.29Å; Y330-H344 PolarHBondContact OH-CE1 3.05Å; Y330-H344 VanDerWaalsContact OH-CE1 3.23Å; Y330-W349 HydrophobicContact CE2-CE3 4.18Å; Y330-W349 AromaticContact CE2-CZ3 3.83Å; Y330-W349 HydrophobicContact CE2-CZ3 3.83Å
331	Y	87.9	Confident	86	Confident	19 Å²	19	52 Å²	52	8%	0.075	25%	0.251	C	S	.	.			trans	-59.1	140.4	175.4	-172.3	-108.6	0	0	0	112	L327 P334 I338 I446 L490 D491	L327-Y331 WeakPolarHBondContact O-CB 3.33Å; L327-Y331 PolarHBondContact O-N 2.8Å; Y331-P334 VanDerWaalsContact OH-CD 3.32Å; Y331-P334 WeakPolarHBondContact OH-CD 3.48Å; Y331-P334 WeakPolarHBondContact OH-CG 3.49Å; Y331-I338 HydrophobicContact CD2-CD1 4.33Å; Y331-I446 HydrophobicContact CD1-CB 4.26Å; Y331-I446 HydrophobicContact CD1-CD1 3.62Å; Y331-I446 HydrophobicContact CD1-CG1 3.74Å; Y331-I446 HydrophobicContact CE1-CB 4.07Å; Y331-I446 HydrophobicContact CE1-CD1 4.31Å; Y331-I446 HydrophobicContact CE1-CG1 3.98Å; Y331-I446 HydrophobicContact CE1-CG2 4.35Å; Y331-I446 HydrophobicContact CG-CD1 4.29Å; Y331-L490 HydrophobicContact CD1-CB 4.37Å; Y331-L490 HydrophobicContact CD1-CD1 4.29Å; Y331-L490 HydrophobicContact CD2-CB 4.22Å; Y331-L490 HydrophobicContact CD2-CD1 3.7Å; Y331-L490 HydrophobicContact CD2-CG 3.87Å; Y331-L490 HydrophobicContact CE1-CB 3.97Å; Y331-L490 HydrophobicContact CE2-CB 3.83Å; Y331-L490 HydrophobicContact CE2-CD1 4.16Å; Y331-L490 HydrophobicContact CE2-CG 3.8Å; Y331-L490 HydrophobicContact CG-CB 4.46Å; Y331-L490 HydrophobicContact CG-CD1 3.75Å; Y331-L490 HydrophobicContact CG-CG 4.31Å; Y331-L490 PolarHBondContact OH-N 3.23Å; Y331-L490 VanDerWaalsContact OH-N 3.13Å; Y331-D491 WeakPolarHBondContact CE1-OD1 3.39Å; Y331-D491 PolarHBondContact OH-N 3.07Å; Y331-D491 PolarHBondContact OH-OD1 2.88Å
332	K	85.2	Confident	85.2	Confident	146 Å²	146	51.9 Å²	51.9	64%	0.635	25%	0.247	S	C	*	.			trans	-137.7	-41.7	179	-55.2	-65.3	157.4	-114	0	112.5	R329 Y330	R329-K332 PolarHBondContact O-NZ 3.08Å; Y330-K332 PolarHBondContact O-N 2.94Å
333	S	81.1	Confident	84.9	Confident	40 Å²	40	57.5 Å²	57.5	28%	0.28	27%	0.272	S	S	.	.			trans	-167.1	149.7	-177.9	173.6	0	0	0	0	109.5	M335 V336	S333-M335 PolarHBondContact O-N 2.65Å; S333-M335 PolarHBondContact OG-N 2.9Å; S333-V336 PolarHBondContact O-N 3.4Å
334	P	78.9	Confident	84.6	Confident	46 Å²	46	59.2 Å²	59.2	30%	0.299	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.9	173.5	-25.1	33	0	0	0	115	Y331 N489 D491	Y331-P334 VanDerWaalsContact OH-CD 3.32Å; Y331-P334 WeakPolarHBondContact OH-CD 3.48Å; Y331-P334 WeakPolarHBondContact OH-CG 3.49Å; P334-N489 HydrophobicContact CB-CB 4.28Å; P334-D491 WeakPolarHBondContact CD-OD2 3.46Å; P334-D491 HydrophobicContact CG-CB 3.94Å; P334-D491 WeakPolarHBondContact CG-OD2 3.33Å
335	M	76.9	Confident	84.6	Confident	179 Å²	179	63 Å²	63	88%	0.882	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.6	-179.5	-59.1	-175.4	-176.5	0	0	113.5	S333	S333-M335 PolarHBondContact O-N 2.65Å; S333-M335 PolarHBondContact OG-N 2.9Å
336	V	80.9	Confident	84.7	Confident	74 Å²	74	62.4 Å²	62.4	45%	0.448	29%	0.293	S	S	.	.	S	Bend	trans	-114.1	113.7	-176.5	-177.2	0	0	0	0	109	S333	S333-V336 PolarHBondContact O-N 3.4Å
337	Q	78.2	Confident	84.8	Confident	101 Å²	101	63.3 Å²	63.3	47%	0.472	30%	0.297	S	S	.	.			trans	-63.9	144.5	174.8	-63.7	-176.3	9.6	0	0	110.7	Y339	Q337-Y339 VanDerWaalsContact C-N 3.26Å; Q337-Y339 HydrophobicContact CB-CE1 4.16Å; Q337-Y339 HydrophobicContact CB-CE2 4.19Å; Q337-Y339 WeakPolarHBondContact O-CD2 3.41Å; Q337-Y339 WeakPolarHBondContact O-CE2 3.31Å; Q337-Y339 PolarHBondContact O-N 2.82Å
338	I	82.9	Confident	84.8	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.015	31%	0.312	C	S	.	.			trans	-82.2	73.2	179.7	-50	-179.3	0	0	0	109.1	L327 Y330 Y331 E340 L341	L327-I338 HydrophobicContact CD2-CD1 3.69Å; Y330-I338 HydrophobicContact CG-CG2 4.44Å; Y331-I338 HydrophobicContact CD2-CD1 4.33Å; I338-E340 PolarHBondContact O-N 2.91Å; I338-L341 HydrophobicContact CB-CB 4.24Å; I338-L341 HydrophobicContact CG2-CB 3.7Å; I338-L341 WeakPolarHBondContact O-CB 3.4Å; I338-L341 PolarHBondContact O-N 3.46Å; I338-L341 VanDerWaalsContact O-N 3.12Å
339	Y	80.5	Confident	84.8	Confident	132 Å²	132	63 Å²	63	52%	0.518	30%	0.299	S	S	.	.	H	α-helix	trans	-56.3	-36.4	-176.3	-62.3	-75.8	0	0	0	112.5	Q337 L341 E342 E343	Q337-Y339 VanDerWaalsContact C-N 3.26Å; Q337-Y339 HydrophobicContact CB-CE1 4.16Å; Q337-Y339 HydrophobicContact CB-CE2 4.19Å; Q337-Y339 WeakPolarHBondContact O-CD2 3.41Å; Q337-Y339 WeakPolarHBondContact O-CE2 3.31Å; Q337-Y339 PolarHBondContact O-N 2.82Å; Y339-L341 VanDerWaalsContact C-N 3.27Å; Y339-L341 PolarHBondContact O-N 3.2Å; Y339-E342 WeakPolarHBondContact O-CA 3.33Å; Y339-E342 VanDerWaalsContact O-CB 3.26Å; Y339-E342 WeakPolarHBondContact O-CB 3.49Å; Y339-E342 PolarHBondContact O-N 3.32Å; Y339-E343 PolarHBondContact O-N 3.34Å
340	E	82	Confident	84.7	Confident	67 Å²	67	61.6 Å²	61.6	31%	0.313	29%	0.294	S	S	.	.	H	α-helix	trans	-63.7	-31.5	-179.4	-54.8	95.6	141.7	0	0	112.4	Y330 I338 E342 H344	Y330-E340 HydrophobicContact CD1-CB 3.73Å; Y330-E340 HydrophobicContact CD1-CG 3.59Å; Y330-E340 WeakPolarHBondContact CD1-OE1 3.11Å; Y330-E340 HydrophobicContact CD2-CB 4.19Å; Y330-E340 HydrophobicContact CE1-CB 3.7Å; Y330-E340 HydrophobicContact CE1-CG 3.58Å; Y330-E340 HydrophobicContact CE2-CB 4.18Å; Y330-E340 HydrophobicContact CG-CB 3.97Å; Y330-E340 HydrophobicContact CG-CG 4.29Å; I338-E340 PolarHBondContact O-N 2.91Å; E340-E342 VanDerWaalsContact C-N 3.31Å; E340-E342 PolarHBondContact O-N 3.41Å; E340-H344 WeakPolarHBondContact O-CB 3.48Å; E340-H344 PolarHBondContact O-CD2 2.89Å; E340-H344 VanDerWaalsContact O-CD2 3.25Å; E340-H344 PolarHBondContact O-N 3.14Å
341	L	79.5	Confident	84.7	Confident	2 Å²	2	65.2 Å²	65.2	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-30.5	174.4	172.9	65.8	0	0	0	112	V289 K290 F293 F323 I326 L327 I338 Y339 Y487	V289-L341 HydrophobicContact CB-CD1 4.49Å; V289-L341 HydrophobicContact CG1-CD1 3.7Å; K290-L341 WeakPolarHBondContact CB-O 3.18Å; K290-L341 PolarHBondContact N-O 3.01Å; F293-L341 HydrophobicContact CD2-CD1 4.37Å; F323-L341 HydrophobicContact CE2-CD1 4.4Å; F323-L341 HydrophobicContact CE2-CD2 4.16Å; I326-L341 HydrophobicContact CG2-CB 4.22Å; I326-L341 HydrophobicContact CG2-CD1 3.84Å; L327-L341 HydrophobicContact CD2-CD2 4.25Å; I338-L341 HydrophobicContact CB-CB 4.24Å; I338-L341 HydrophobicContact CG2-CB 3.7Å; I338-L341 WeakPolarHBondContact O-CB 3.4Å; I338-L341 PolarHBondContact O-N 3.46Å; I338-L341 VanDerWaalsContact O-N 3.12Å; Y339-L341 VanDerWaalsContact C-N 3.27Å; Y339-L341 PolarHBondContact O-N 3.2Å; L341-Y487 HydrophobicContact CD2-CD2 3.75Å; L341-Y487 HydrophobicContact CD2-CE2 3.63Å; L341-Y487 HydrophobicContact CD2-CG 4.3Å
342	E	77.8	Confident	84.5	Confident	52 Å²	52	67 Å²	67	24%	0.243	32%	0.323	C	S	.	.	H	α-helix	trans	-76.1	-46.2	178.7	-48.2	-92.9	138.2	0	0	111.2	Q288 K290 Y339 E340 Y487	Q288-E342 PolarHBondContact NE2-O 2.9Å; K290-E342 HydrophobicContact CD-CB 4.42Å; K290-E342 VanDerWaalsContact CD-CD 3.45Å; K290-E342 HydrophobicContact CD-CG 4.33Å; K290-E342 WeakPolarHBondContact CD-OE1 3.43Å; K290-E342 WeakPolarHBondContact CD-OE2 3.15Å; K290-E342 WeakPolarHBondContact CE-OE1 3.43Å; K290-E342 WeakPolarHBondContact CE-OE2 3.23Å; K290-E342 IonicContact NZ-OE1 3.92Å; K290-E342 PolarHBondContact NZ-OE1 3Å; K290-E342 IonicContact NZ-OE2 2.72Å; K290-E342 PolarHBondContact NZ-OE2 3.22Å; Y339-E342 WeakPolarHBondContact O-CA 3.33Å; Y339-E342 VanDerWaalsContact O-CB 3.26Å; Y339-E342 WeakPolarHBondContact O-CB 3.49Å; Y339-E342 PolarHBondContact O-N 3.32Å; E340-E342 VanDerWaalsContact C-N 3.31Å; E340-E342 PolarHBondContact O-N 3.41Å; E342-Y487 PolarHBondContact OE1-OH 3.27Å
343	E	85	Confident	84.2	Confident	145 Å²	145	62.4 Å²	62.4	68%	0.678	30%	0.302	S	S	*	.	H	α-helix	trans	-83.7	-36.7	-172.8	-66.3	-172.1	167.3	0	0	113.2	Y339	Y339-E343 PolarHBondContact O-N 3.34Å
344	H	87	Confident	83.8	Confident	38 Å²	38	62.2 Å²	62.2	18%	0.176	30%	0.297	C	S	.	.			trans	-62.6	146.7	-174.4	-80.5	-153.9	0	0	0	113	Q288 V289 Y330 E340	Q288-H344 CarbonylContact C-O 3.53Å; Q288-H344 WeakPolarHBondContact CA-O 3.08Å; V289-H344 HydrophobicContact CG2-CB 4Å; V289-H344 WeakPolarHBondContact CG2-O 3.38Å; V289-H344 PolarHBondContact N-O 3.27Å; Y330-H344 PolarHBondContact OH-CE1 3.05Å; Y330-H344 VanDerWaalsContact OH-CE1 3.23Å; E340-H344 WeakPolarHBondContact O-CB 3.48Å; E340-H344 PolarHBondContact O-CD2 2.89Å; E340-H344 VanDerWaalsContact O-CD2 3.25Å; E340-H344 PolarHBondContact O-N 3.14Å
345	K	92.9	Very high	83.3	Confident	79 Å²	79	67.3 Å²	67.3	34%	0.343	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-94.7	162.6	164.7	-63.1	174.6	168	175.7	0	110.3	T286 L287 V289 E347 T348 W349	T286-K345 WeakPolarHBondContact O-CD 3.47Å; T286-K345 WeakPolarHBondContact O-CG 3.4Å; L287-K345 CarbonylContact O-C 3.47Å; L287-K345 VanDerWaalsContact O-CA 3.31Å; L287-K345 WeakPolarHBondContact O-CA 3.31Å; V289-K345 VanDerWaalsContact CG2-C 3.42Å; V289-K345 WeakPolarHBondContact CG2-O 3.36Å; K345-E347 HydrophobicContact CB-CG 3.81Å; K345-E347 HydrophobicContact CD-CG 3.81Å; K345-E347 WeakPolarHBondContact CD-OE1 3.39Å; K345-E347 WeakPolarHBondContact CE-OE1 3.43Å; K345-E347 IonicContact NZ-OE1 2.74Å; K345-E347 PolarHBondContact NZ-OE1 3.4Å; K345-E347 PolarHBondContact O-N 3.21Å; K345-T348 PolarHBondContact N-OG1 3.47Å; K345-T348 VanDerWaalsContact N-OG1 3.11Å; K345-T348 PolarHBondContact O-N 2.91Å; K345-T348 PolarHBondContact O-OG1 3.46Å; K345-W349 PolarHBondContact O-N 3.07Å
346	I	93.2	Very high	82.8	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-38	171.7	-62.2	169.3	0	0	0	110.5	F283 T285 L287 V289 A292 L306 L318 R350	F283-I346 HydrophobicContact CB-CD1 3.81Å; F283-I346 HydrophobicContact CD2-CD1 4.31Å; F283-I346 HydrophobicContact CG-CD1 4.38Å; T285-I346 HydrophobicContact CG2-CG2 4.5Å; T285-I346 CarbonylContact O-C 3.58Å; T285-I346 WeakPolarHBondContact O-CB 3.37Å; T285-I346 PolarHBondContact O-N 2.89Å; L287-I346 HydrophobicContact CB-CD1 4.11Å; L287-I346 PolarHBondContact O-N 2.98Å; V289-I346 HydrophobicContact CG2-CG1 4.44Å; A292-I346 HydrophobicContact CB-CD1 3.84Å; A292-I346 HydrophobicContact CB-CG1 4.33Å; L306-I346 HydrophobicContact CD1-CG2 3.55Å; L306-I346 HydrophobicContact CD2-CD1 3.89Å; L306-I346 HydrophobicContact CD2-CG2 3.74Å; L306-I346 HydrophobicContact CG-CG2 4.24Å; L318-I346 HydrophobicContact CD2-CD1 4.26Å; I346-R350 WeakPolarHBondContact O-CB 3.43Å; I346-R350 PolarHBondContact O-N 3.41Å
347	E	92.6	Very high	82.1	Confident	21 Å²	21	62.3 Å²	62.3	10%	0.098	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-51	175.5	60.6	-172.6	169.7	0	0	112	T285 K310 K345 R350 E351	T285-E347 WeakPolarHBondContact O-CB 3.44Å; T285-E347 PolarHBondContact O-N 2.99Å; K310-E347 IonicContact NZ-OE2 2.65Å; K310-E347 PolarHBondContact NZ-OE2 2.93Å; K345-E347 HydrophobicContact CB-CG 3.81Å; K345-E347 HydrophobicContact CD-CG 3.81Å; K345-E347 WeakPolarHBondContact CD-OE1 3.39Å; K345-E347 WeakPolarHBondContact CE-OE1 3.43Å; K345-E347 IonicContact NZ-OE1 2.74Å; K345-E347 PolarHBondContact NZ-OE1 3.4Å; K345-E347 PolarHBondContact O-N 3.21Å; E347-R350 PolarHBondContact O-N 3.08Å; E347-E351 WeakPolarHBondContact O-CG 3.37Å; E347-E351 PolarHBondContact O-N 3.15Å
348	T	91.4	Very high	81.5	Confident	51 Å²	51	65.5 Å²	65.5	31%	0.313	30%	0.302	S	S	.	.	H	α-helix	trans	-70.1	-38.7	-177.1	61.6	0	0	0	0	112.8	K345 L352	K345-T348 PolarHBondContact N-OG1 3.47Å; K345-T348 VanDerWaalsContact N-OG1 3.11Å; K345-T348 PolarHBondContact O-N 2.91Å; K345-T348 PolarHBondContact O-OG1 3.46Å; T348-L352 WeakPolarHBondContact O-CG 3.41Å; T348-L352 PolarHBondContact O-N 3.35Å
349	W	89.3	Confident	81.2	Confident	7 Å²	7	70.7 Å²	70.7	3%	0.027	32%	0.324	C	S	.	.	H	α-helix	trans	-62.3	-46.4	171.7	168.5	-108.4	0	0	0	111.8	V289 N325 I326 Y330 K345 E351 L352 Y353	V289-W349 HydrophobicContact CG2-CB 4.12Å; N325-W349 HydrophobicContact CB-CH2 4.12Å; N325-W349 HydrophobicContact CB-CZ2 3.8Å; I326-W349 HydrophobicContact CB-CH2 4.43Å; I326-W349 HydrophobicContact CB-CZ3 4.5Å; I326-W349 HydrophobicContact CD1-CD2 3.98Å; I326-W349 HydrophobicContact CD1-CG 4.16Å; I326-W349 HydrophobicContact CD1-CZ2 4.4Å; I326-W349 HydrophobicContact CG1-CD2 3.51Å; I326-W349 VanDerWaalsContact CG1-CE2 3.41Å; I326-W349 HydrophobicContact CG1-CE3 3.68Å; I326-W349 HydrophobicContact CG1-CG 4.22Å; I326-W349 HydrophobicContact CG1-CH2 3.66Å; I326-W349 HydrophobicContact CG1-CZ2 3.52Å; I326-W349 HydrophobicContact CG1-CZ3 3.74Å; Y330-W349 HydrophobicContact CE2-CE3 4.18Å; Y330-W349 AromaticContact CE2-CZ3 3.83Å; Y330-W349 HydrophobicContact CE2-CZ3 3.83Å; K345-W349 PolarHBondContact O-N 3.07Å; W349-E351 VanDerWaalsContact C-N 3.34Å; W349-E351 PolarHBondContact O-N 2.96Å; W349-L352 PolarHBondContact O-N 3.17Å; W349-Y353 HydrophobicContact CH2-CD2 4.02Å; W349-Y353 AromaticContact CZ2-CD2 3.71Å; W349-Y353 HydrophobicContact CZ2-CD2 3.71Å; W349-Y353 HydrophobicContact CZ2-CE2 4.47Å; W349-Y353 HydrophobicContact CZ2-CG 4Å; W349-Y353 WeakPolarHBondContact O-CB 3.2Å; W349-Y353 PolarHBondContact O-N 3.16Å
350	R	88.4	Confident	81.4	Confident	59 Å²	59	69 Å²	69	22%	0.223	33%	0.329	C	S	.	.	H	α-helix	trans	-65.9	-36.3	-178.1	179.7	171.5	166.6	-82	-2.9	111.6	V315 I346 E347 L354	V315-R350 PolarHBondContact O-NE 2.95Å; V315-R350 PolarHBondContact O-NH2 3.46Å; I346-R350 WeakPolarHBondContact O-CB 3.43Å; I346-R350 PolarHBondContact O-N 3.41Å; E347-R350 PolarHBondContact O-N 3.08Å; R350-L354 HydrophobicContact CG-CD1 3.54Å; R350-L354 HydrophobicContact CG-CG 3.94Å; R350-L354 WeakPolarHBondContact O-CB 3.26Å; R350-L354 WeakPolarHBondContact O-CG 3.44Å; R350-L354 PolarHBondContact O-N 3.11Å
351	E	86.9	Confident	81.9	Confident	107 Å²	107	67.3 Å²	67.3	50%	0.5	32%	0.323	S	S	.	.	H	α-helix	trans	-62.6	-48.9	173.4	-76.3	169.2	-172.3	0	0	111.6	E347 W349 Y353 L354 Q355	E347-E351 WeakPolarHBondContact O-CG 3.37Å; E347-E351 PolarHBondContact O-N 3.15Å; W349-E351 VanDerWaalsContact C-N 3.34Å; W349-E351 PolarHBondContact O-N 2.96Å; E351-Y353 PolarHBondContact O-N 3.4Å; E351-L354 PolarHBondContact O-N 2.85Å; E351-Q355 WeakPolarHBondContact O-CG 3.27Å; E351-Q355 PolarHBondContact O-N 2.99Å
352	L	83.7	Confident	82.6	Confident	56 Å²	56	69 Å²	69	29%	0.293	33%	0.333	S	S	.	.	H	α-helix	trans	-60.6	-42.4	177.1	-68.5	168	0	0	0	112.8	T348 W349	T348-L352 WeakPolarHBondContact O-CG 3.41Å; T348-L352 PolarHBondContact O-N 3.35Å; W349-L352 PolarHBondContact O-N 3.17Å
353	Y	80	Confident	83.5	Confident	50 Å²	50	70.4 Å²	70.4	20%	0.196	34%	0.342	C	S	.	.	H	α-helix	trans	-78.7	-31.3	-178	-167.9	-98.6	0	0	0	113.7	N325 W349 E351 E356 T357	N325-Y353 HydrophobicContact CB-CE2 4.22Å; N325-Y353 WeakPolarHBondContact ND2-CE2 3.38Å; N325-Y353 VanDerWaalsContact ND2-CZ 3.28Å; N325-Y353 PolarHBondContact ND2-OH 2.76Å; N325-Y353 VanDerWaalsContact ND2-OH 3.15Å; W349-Y353 HydrophobicContact CH2-CD2 4.02Å; W349-Y353 AromaticContact CZ2-CD2 3.71Å; W349-Y353 HydrophobicContact CZ2-CD2 3.71Å; W349-Y353 HydrophobicContact CZ2-CE2 4.47Å; W349-Y353 HydrophobicContact CZ2-CG 4Å; W349-Y353 WeakPolarHBondContact O-CB 3.2Å; W349-Y353 PolarHBondContact O-N 3.16Å; E351-Y353 PolarHBondContact O-N 3.4Å; Y353-E356 PolarHBondContact O-N 3.28Å; Y353-T357 PolarHBondContact O-N 3.49Å; Y353-T357 PolarHBondContact O-OG1 2.59Å
354	L	72.2	Confident	84.1	Confident	35 Å²	35	64.1 Å²	64.1	18%	0.183	31%	0.313	C	S	.	.	H	α-helix	trans	-80	-22	175.9	-68.4	-177.4	0	0	0	113.3	R350 E351 E356 T357 F358	R350-L354 HydrophobicContact CG-CD1 3.54Å; R350-L354 HydrophobicContact CG-CG 3.94Å; R350-L354 WeakPolarHBondContact O-CB 3.26Å; R350-L354 WeakPolarHBondContact O-CG 3.44Å; R350-L354 PolarHBondContact O-N 3.11Å; E351-L354 PolarHBondContact O-N 2.85Å; L354-E356 PolarHBondContact O-N 3.26Å; L354-T357 WeakPolarHBondContact CD2-O 3.16Å; L354-T357 CarbonylContact O-C 3.56Å; L354-T357 VanDerWaalsContact O-C 3.29Å; L354-T357 PolarHBondContact O-N 2.99Å; L354-F358 PolarHBondContact O-N 3.22Å
355	Q	68	Low	84.6	Confident	154 Å²	154	64 Å²	64	72%	0.72	32%	0.316	S	S	*	.	H	α-helix	trans	-59.6	-35.7	166.7	-78.1	166.5	21.5	0	0	111.4	E351	E351-Q355 WeakPolarHBondContact O-CG 3.27Å; E351-Q355 PolarHBondContact O-N 2.99Å
356	E	66.2	Low	84.8	Confident	111 Å²	111	60.6 Å²	60.6	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-82	-33.3	174.7	-68.7	165.9	-169.9	0	0	112.5	R329 Y353 L354	R329-E356 IonicContact CZ-OE1 2.68Å; R329-E356 IonicContact CZ-OE2 2.65Å; R329-E356 IonicContact NH1-OE1 2.67Å; R329-E356 PolarHBondContact NH1-OE1 3.34Å; R329-E356 IonicContact NH1-OE2 2.65Å; R329-E356 PolarHBondContact NH1-OE2 3.1Å; R329-E356 IonicContact NH2-OE1 2.82Å; R329-E356 PolarHBondContact NH2-OE1 3.15Å; Y353-E356 PolarHBondContact O-N 3.28Å; L354-E356 PolarHBondContact O-N 3.26Å
357	T	66.8	Low	85	Confident	36 Å²	36	65 Å²	65	22%	0.221	33%	0.326	C	S	.	.	S	Bend	trans	-145.9	85.1	-179.5	55.9	0	0	0	0	113.9	Y353 L354 K359	Y353-T357 PolarHBondContact O-N 3.49Å; Y353-T357 PolarHBondContact O-OG1 2.59Å; L354-T357 WeakPolarHBondContact CD2-O 3.16Å; L354-T357 CarbonylContact O-C 3.56Å; L354-T357 VanDerWaalsContact O-C 3.29Å; L354-T357 PolarHBondContact O-N 2.99Å; T357-K359 PolarHBondContact O-N 3.23Å; T357-K359 VanDerWaalsContact O-N 3.16Å
358	F	64.8	Low	85.2	Confident	168 Å²	168	65.3 Å²	65.3	74%	0.737	33%	0.332	S	S	*	.			trans	-62.1	120.6	174.6	-176.2	-94	0	0	0	111.3	L354	L354-F358 PolarHBondContact O-N 3.22Å
359	K	76.6	Confident	85.5	Confident	112 Å²	112	63.7 Å²	63.7	49%	0.487	32%	0.323	S	S	.	.			trans	-141.6	117.8	178.1	-68.4	179.6	-177	173.2	0	109.8	T357	T357-K359 PolarHBondContact O-N 3.23Å; T357-K359 VanDerWaalsContact O-N 3.16Å
360	P	85.6	Confident	85.8	Confident	96 Å²	96	63.4 Å²	63.4	62%	0.623	32%	0.321	S	S	*	.			trans	-70.5	162.8	174.4	30.3	-34.7	0	0	0	111.5	V362	P360-V362 PolarHBondContact O-N 2.85Å; P360-V362 VanDerWaalsContact O-N 3.1Å
361	L	91.5	Very high	86.2	Confident	33 Å²	33	62 Å²	62	17%	0.173	32%	0.317	C	S	.	.			trans	-73.2	102.2	175.9	178.2	58.5	0	0	0	111.1	F314 M317 N363 P386 I388	F314-L361 HydrophobicContact CB-CD2 3.61Å; M317-L361 HydrophobicContact CG-CD1 3.91Å; M317-L361 HydrophobicContact SD-CD1 4.44Å; L361-N363 PolarHBondContact O-N 3.09Å; L361-N363 PolarHBondContact O-ND2 2.97Å; L361-N363 VanDerWaalsContact O-ND2 3.09Å; L361-P386 HydrophobicContact CD1-CG 4.04Å; L361-I388 HydrophobicContact CD2-CD1 4.39Å
362	V	94.9	Very high	86.6	Confident	38 Å²	38	60.3 Å²	60.3	23%	0.23	31%	0.312	C	S	.	.			trans	-66.1	124.2	165.4	-173.3	0	0	0	0	108.9	P360 S376 N380 I382 L385 P386	P360-V362 PolarHBondContact O-N 2.85Å; P360-V362 VanDerWaalsContact O-N 3.1Å; V362-S376 WeakPolarHBondContact CG1-OG 3.43Å; V362-N380 HydrophobicContact CG2-CB 4.17Å; V362-I382 HydrophobicContact CB-CD1 3.87Å; V362-I382 HydrophobicContact CG1-CD1 3.89Å; V362-I382 HydrophobicContact CG2-CD1 4.47Å; V362-L385 HydrophobicContact CG1-CD1 3.85Å; V362-P386 WeakPolarHBondContact O-CD 3.18Å
363	N	96.2	Very high	87.2	Confident	80 Å²	80	57.7 Å²	57.7	43%	0.428	30%	0.298	S	S	.	.			trans	-141.6	174.5	179.4	67.8	91.1	0	0	0	109.4	L361 P386 I388	L361-N363 PolarHBondContact O-N 3.09Å; L361-N363 PolarHBondContact O-ND2 2.97Å; L361-N363 VanDerWaalsContact O-ND2 3.09Å; N363-P386 WeakPolarHBondContact CA-O 3.5Å; N363-P386 HydrophobicContact CB-CG 3.99Å; N363-I388 HydrophobicContact CB-CD1 3.72Å; N363-I388 HydrophobicContact CB-CG1 4.09Å
364	I	97.3	Very high	88	Confident	14 Å²	14	55.3 Å²	55.3	7%	0.072	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-144.7	145.7	178.8	-165.4	158.5	0	0	0	112	A368 D372 A373 L385 P386 V387 I388	I364-A368 HydrophobicContact CD1-CB 3.97Å; I364-A368 HydrophobicContact CG1-CB 3.71Å; I364-D372 HydrophobicContact CD1-CB 4.03Å; I364-A373 HydrophobicContact CD1-CB 3.83Å; I364-L385 HydrophobicContact CB-CD1 4.38Å; I364-L385 HydrophobicContact CB-CD2 4.05Å; I364-L385 HydrophobicContact CB-CG 4.24Å; I364-L385 HydrophobicContact CD1-CD2 4.22Å; I364-L385 HydrophobicContact CG2-CD1 4.41Å; I364-L385 HydrophobicContact CG2-CD2 3.74Å; I364-L385 HydrophobicContact CG2-CG 3.79Å; I364-P386 PolarHBondContact N-O 3.05Å; I364-V387 HydrophobicContact CG2-CB 4.47Å; I364-V387 HydrophobicContact CG2-CG2 4Å; I364-V387 CarbonylContact O-C 3.55Å; I364-V387 VanDerWaalsContact O-CA 3.31Å; I364-V387 WeakPolarHBondContact O-CA 3.27Å; I364-I388 PolarHBondContact O-N 2.81Å
365	S	97.5	Very high	89.2	Confident	34 Å²	34	57.7 Å²	57.7	24%	0.238	30%	0.295	C	S	.	.			trans	-70.3	144.1	173.1	173.8	0	0	0	0	111.1	C270 D367 A368	C270-S365 WeakPolarHBondContact CB-O 3.28Å; S365-D367 PolarHBondContact O-N 2.98Å; S365-D367 PolarHBondContact OG-N 3.21Å; S365-A368 PolarHBondContact O-N 2.8Å
366	P	97.3	Very high	90.5	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.058	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.9	170.1	24.8	-35	0	0	0	113.4	C270 Y271 V387 I388 D389 L396	C270-P366 CarbonylContact C-O 3.57Å; C270-P366 PolarHBondContact N-O 2.82Å; Y271-P366 WeakPolarHBondContact CB-O 3.48Å; Y271-P366 HydrophobicContact CD2-CB 4.39Å; Y271-P366 PolarHBondContact N-O 3.02Å; P366-V387 HydrophobicContact CB-CG1 3.94Å; P366-I388 VanDerWaalsContact CD-O 3.27Å; P366-I388 WeakPolarHBondContact CD-O 3.41Å; P366-D389 HydrophobicContact CG-CB 4.46Å; P366-L396 HydrophobicContact CB-CD1 4.04Å; P366-L396 HydrophobicContact CG-CD1 4.01Å
367	D	97	Very high	91.9	Very high	95 Å²	95	45.9 Å²	45.9	51%	0.508	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-13.1	179.9	-78	-60.3	0	0	0	114.9	K269 S365	K269-D367 WeakPolarHBondContact CE-O 3.45Å; K269-D367 IonicContact NZ-OD1 3.44Å; K269-D367 PolarHBondContact NZ-OD1 3.21Å; S365-D367 PolarHBondContact O-N 2.98Å; S365-D367 PolarHBondContact OG-N 3.21Å
368	A	97.4	Very high	93.2	Very high	27 Å²	27	45.5 Å²	45.5	22%	0.223	24%	0.239	C	C	.	.	S	Bend	trans	-74.1	159.5	177.5	0	0	0	0	0	111.7	K269 C270 I364 S365	K269-A368 CarbonylContact C-O 3.5Å; K269-A368 WeakPolarHBondContact CA-O 3.16Å; C270-A368 PolarHBondContact N-O 3.31Å; C270-A368 PolarHBondContact SG-O 3.32Å; C270-A368 VanDerWaalsContact SG-O 3.34Å; I364-A368 HydrophobicContact CD1-CB 3.97Å; I364-A368 HydrophobicContact CG1-CB 3.71Å; S365-A368 PolarHBondContact O-N 2.8Å
369	S	97.2	Very high	94.5	Very high	17 Å²	17	43.8 Å²	43.8	12%	0.119	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-74.9	159.4	-174.8	75.3	0	0	0	0	112.8	H268 C270 F371 D372 A373	H268-S369 CarbonylContact O-C 3.59Å; H268-S369 VanDerWaalsContact O-CA 3.31Å; H268-S369 WeakPolarHBondContact O-CA 3.14Å; C270-S369 PolarHBondContact SG-O 3.01Å; S369-F371 PolarHBondContact O-N 2.95Å; S369-F371 PolarHBondContact OG-N 3.05Å; S369-D372 WeakPolarHBondContact CB-OD2 3.36Å; S369-D372 PolarHBondContact N-OD2 2.62Å; S369-D372 PolarHBondContact O-N 3.33Å; S369-D372 PolarHBondContact OG-N 3Å; S369-D372 VanDerWaalsContact OG-N 3.08Å; S369-D372 PolarHBondContact OG-OD2 3.36Å; S369-A373 PolarHBondContact O-N 2.95Å
370	L	96.4	Very high	95.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-22.3	170.9	-64.3	-179	0	0	0	112.3	M265 H268 K269 I273 A373 V374 F407	M265-L370 HydrophobicContact CE-CB 3.54Å; M265-L370 HydrophobicContact CE-CD1 4.49Å; M265-L370 PolarHBondContact O-N 3.12Å; M265-L370 VanDerWaalsContact O-N 3.15Å; M265-L370 HydrophobicContact SD-CB 3.86Å; M265-L370 HydrophobicContact SD-CD1 4.16Å; H268-L370 HydrophobicContact CB-CD1 3.74Å; H268-L370 HydrophobicContact CB-CG 4.17Å; H268-L370 PolarHBondContact O-N 2.8Å; K269-L370 WeakPolarHBondContact O-CD2 3.41Å; I273-L370 HydrophobicContact CB-CD2 4.27Å; I273-L370 HydrophobicContact CD1-CD2 4.46Å; I273-L370 HydrophobicContact CG2-CD2 3.74Å; L370-A373 WeakPolarHBondContact O-CB 3.19Å; L370-A373 PolarHBondContact O-N 2.7Å; L370-V374 WeakPolarHBondContact O-CG2 3.46Å; L370-V374 PolarHBondContact O-N 2.86Å; L370-F407 HydrophobicContact CD1-CD1 3.78Å; L370-F407 HydrophobicContact CD1-CE1 3.58Å; L370-F407 HydrophobicContact CD1-CZ 4.38Å
371	F	95.7	Very high	95.6	Very high	30 Å²	30	46.3 Å²	46.3	13%	0.132	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-49.7	169.4	177	-90.8	0	0	0	111.1	M262 M265 R266 S369 A373 V374 Y375 I555 L556	M262-F371 HydrophobicContact CE-CE2 4.38Å; M262-F371 HydrophobicContact CG-CD2 3.69Å; M262-F371 HydrophobicContact CG-CE2 3.57Å; M262-F371 HydrophobicContact SD-CE2 4Å; M265-F371 HydrophobicContact CB-CB 4.18Å; M265-F371 PolarHBondContact O-N 3.44Å; R266-F371 HydrophobicContact CG-CB 3.72Å; R266-F371 HydrophobicContact CG-CD1 4.25Å; R266-F371 HydrophobicContact CG-CD2 4.17Å; R266-F371 HydrophobicContact CG-CG 3.8Å; S369-F371 PolarHBondContact O-N 2.95Å; S369-F371 PolarHBondContact OG-N 3.05Å; F371-A373 PolarHBondContact O-N 3.26Å; F371-V374 PolarHBondContact O-N 3.16Å; F371-V374 VanDerWaalsContact O-N 3.14Å; F371-Y375 WeakPolarHBondContact O-CB 3.2Å; F371-Y375 PolarHBondContact O-N 3.43Å; F371-I555 HydrophobicContact CD2-CG2 3.6Å; F371-I555 HydrophobicContact CE2-CG2 4.12Å; F371-L556 HydrophobicContact CD2-CD2 4.37Å; F371-L556 HydrophobicContact CE2-CD2 3.79Å; F371-L556 HydrophobicContact CZ-CD2 4.02Å
372	D	96.4	Very high	95.7	Very high	72 Å²	72	46.8 Å²	46.8	39%	0.385	24%	0.238	S	C	.	.	H	α-helix	trans	-57.6	-38.6	175.7	-56.6	-51.6	0	0	0	111.3	I364 S369 S376	I364-D372 HydrophobicContact CD1-CB 4.03Å; S369-D372 WeakPolarHBondContact CB-OD2 3.36Å; S369-D372 PolarHBondContact N-OD2 2.62Å; S369-D372 PolarHBondContact O-N 3.33Å; S369-D372 PolarHBondContact OG-N 3Å; S369-D372 VanDerWaalsContact OG-N 3.08Å; S369-D372 PolarHBondContact OG-OD2 3.36Å; D372-S376 WeakPolarHBondContact O-CB 3.37Å; D372-S376 PolarHBondContact O-N 2.92Å
373	A	97	Very high	95.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-43.6	177.2	0	0	0	0	0	113.2	I364 S369 L370 F371 S376 L377 L385 L399	I364-A373 HydrophobicContact CD1-CB 3.83Å; S369-A373 PolarHBondContact O-N 2.95Å; L370-A373 WeakPolarHBondContact O-CB 3.19Å; L370-A373 PolarHBondContact O-N 2.7Å; F371-A373 PolarHBondContact O-N 3.26Å; A373-S376 PolarHBondContact O-N 3.2Å; A373-L377 WeakPolarHBondContact O-CB 3.24Å; A373-L377 VanDerWaalsContact O-CG 3.29Å; A373-L377 WeakPolarHBondContact O-CG 3.47Å; A373-L377 PolarHBondContact O-N 2.88Å; A373-L385 HydrophobicContact CB-CD2 4.04Å; A373-L399 HydrophobicContact CB-CD2 3.54Å
374	V	96.4	Very high	95.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.1	-45.8	176.4	167.7	0	0	0	0	110.8	M265 L370 F371 S376 L377 I378 I404 L551 I555 L556	M265-V374 HydrophobicContact CE-CG2 3.65Å; L370-V374 WeakPolarHBondContact O-CG2 3.46Å; L370-V374 PolarHBondContact O-N 2.86Å; F371-V374 PolarHBondContact O-N 3.16Å; F371-V374 VanDerWaalsContact O-N 3.14Å; V374-S376 VanDerWaalsContact C-N 3.31Å; V374-S376 PolarHBondContact O-N 3.19Å; V374-L377 PolarHBondContact O-N 3.19Å; V374-I378 HydrophobicContact CG1-CD1 3.67Å; V374-I378 WeakPolarHBondContact O-CB 3.41Å; V374-I378 WeakPolarHBondContact O-CG1 3.44Å; V374-I378 PolarHBondContact O-N 3.47Å; V374-I404 HydrophobicContact CG2-CD1 3.95Å; V374-I404 HydrophobicContact CG2-CG2 3.82Å; V374-L551 HydrophobicContact CG1-CB 4.27Å; V374-I555 HydrophobicContact CB-CD1 4.46Å; V374-I555 HydrophobicContact CG1-CB 4.34Å; V374-I555 HydrophobicContact CG1-CD1 4.12Å; V374-I555 HydrophobicContact CG1-CG2 4.31Å; V374-I555 HydrophobicContact CG2-CD1 3.91Å; V374-L556 HydrophobicContact CG1-CD1 4.43Å; V374-L556 HydrophobicContact CG1-CD2 4.36Å; V374-L556 HydrophobicContact CG1-CG 4.17Å
375	Y	96.1	Very high	95.6	Very high	85 Å²	85	46.5 Å²	46.5	33%	0.333	23%	0.229	S	C	.	.	H	α-helix	trans	-56.4	-46.2	173.9	-178.7	-100.7	0	0	0	111.3	F371 I378 K379 L556	F371-Y375 WeakPolarHBondContact O-CB 3.2Å; F371-Y375 PolarHBondContact O-N 3.43Å; Y375-I378 PolarHBondContact O-N 2.85Å; Y375-K379 HydrophobicContact CD1-CD 4.34Å; Y375-K379 HydrophobicContact CE1-CD 3.52Å; Y375-K379 HydrophobicContact CE2-CD 4.5Å; Y375-K379 WeakPolarHBondContact O-CB 3.46Å; Y375-K379 PolarHBondContact O-N 2.88Å; Y375-K379 PolarHBondContact OH-NZ 2.95Å; Y375-L556 HydrophobicContact CD2-CD1 4.42Å; Y375-L556 HydrophobicContact CD2-CD2 4.2Å
376	S	95.8	Very high	95.6	Very high	18 Å²	18	45 Å²	45	13%	0.126	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-42.5	179.2	-173.2	0	0	0	0	113.1	V362 D372 A373 V374 N380	V362-S376 WeakPolarHBondContact CG1-OG 3.43Å; D372-S376 WeakPolarHBondContact O-CB 3.37Å; D372-S376 PolarHBondContact O-N 2.92Å; A373-S376 PolarHBondContact O-N 3.2Å; V374-S376 VanDerWaalsContact C-N 3.31Å; V374-S376 PolarHBondContact O-N 3.19Å; S376-N380 WeakPolarHBondContact O-CB 3.14Å; S376-N380 PolarHBondContact O-N 3.42Å; S376-N380 PolarHBondContact O-ND2 3.34Å
377	L	95.6	Very high	95.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-47.6	174.5	-76.6	163.6	0	0	0	111.8	A373 V374 K381 I382 L385 I404	A373-L377 WeakPolarHBondContact O-CB 3.24Å; A373-L377 VanDerWaalsContact O-CG 3.29Å; A373-L377 WeakPolarHBondContact O-CG 3.47Å; A373-L377 PolarHBondContact O-N 2.88Å; V374-L377 PolarHBondContact O-N 3.19Å; L377-K381 WeakPolarHBondContact O-CA 3.29Å; L377-K381 PolarHBondContact O-N 2.84Å; L377-K381 VanDerWaalsContact O-N 3.13Å; L377-I382 HydrophobicContact CD2-CG1 4.28Å; L377-I382 VanDerWaalsContact CD2-O 3.27Å; L377-I382 WeakPolarHBondContact CD2-O 3.47Å; L377-I382 PolarHBondContact O-N 3.03Å; L377-L385 HydrophobicContact CD2-CB 3.69Å; L377-L385 HydrophobicContact CG-CB 4.08Å; L377-L385 HydrophobicContact CG-CD2 4.28Å; L377-I404 HydrophobicContact CD1-CD1 3.37Å
378	I	93.6	Very high	95.6	Very high	28 Å²	28	41 Å²	41	14%	0.144	20%	0.196	C	C	.	.	H	α-helix	trans	-74.4	-50	-175	-68.3	166.7	0	0	0	111.4	V374 Y375 N380 K381 Q552 L556	V374-I378 HydrophobicContact CG1-CD1 3.67Å; V374-I378 WeakPolarHBondContact O-CB 3.41Å; V374-I378 WeakPolarHBondContact O-CG1 3.44Å; V374-I378 PolarHBondContact O-N 3.47Å; Y375-I378 PolarHBondContact O-N 2.85Å; I378-N380 VanDerWaalsContact C-N 3.33Å; I378-N380 PolarHBondContact O-N 3.02Å; I378-K381 WeakPolarHBondContact O-CG 3.16Å; I378-K381 PolarHBondContact O-N 3.41Å; I378-Q552 HydrophobicContact CD1-CB 3.93Å; I378-L556 HydrophobicContact CB-CD1 4.08Å; I378-L556 HydrophobicContact CD1-CD1 3.6Å; I378-L556 HydrophobicContact CD1-CG 4.35Å; I378-L556 HydrophobicContact CG1-CD1 4.43Å; I378-L556 HydrophobicContact CG2-CD1 4.11Å
379	K	93.1	Very high	95.5	Very high	132 Å²	132	41.1 Å²	41.1	57%	0.574	19%	0.193	S	C	*	.	H	α-helix	trans	-57	-44.6	-179.8	-177.2	172	-171.9	169.9	0	112.2	Y375 K381	Y375-K379 HydrophobicContact CD1-CD 4.34Å; Y375-K379 HydrophobicContact CE1-CD 3.52Å; Y375-K379 HydrophobicContact CE2-CD 4.5Å; Y375-K379 WeakPolarHBondContact O-CB 3.46Å; Y375-K379 PolarHBondContact O-N 2.88Å; Y375-K379 PolarHBondContact OH-NZ 2.95Å; K379-K381 VanDerWaalsContact C-N 3.31Å
380	N	92.2	Very high	95.4	Very high	73 Å²	73	44.8 Å²	44.8	39%	0.39	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.5	179.9	-60.8	-73.2	0	0	0	113.2	V362 S376 I378 I382	V362-N380 HydrophobicContact CG2-CB 4.17Å; S376-N380 WeakPolarHBondContact O-CB 3.14Å; S376-N380 PolarHBondContact O-N 3.42Å; S376-N380 PolarHBondContact O-ND2 3.34Å; I378-N380 VanDerWaalsContact C-N 3.33Å; I378-N380 PolarHBondContact O-N 3.02Å; N380-I382 VanDerWaalsContact C-N 3.31Å; N380-I382 HydrophobicContact CB-CD1 4.02Å; N380-I382 HydrophobicContact CB-CG1 4.02Å; N380-I382 HydrophobicContact CB-CG2 4.28Å; N380-I382 PolarHBondContact O-N 3.25Å
381	K	92.2	Very high	95.3	Very high	187 Å²	187	52.2 Å²	52.2	81%	0.813	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	44.3	-178	-58.1	-176.9	179.5	-177.4	0	112.5	L377 I378 K379	L377-K381 WeakPolarHBondContact O-CA 3.29Å; L377-K381 PolarHBondContact O-N 2.84Å; L377-K381 VanDerWaalsContact O-N 3.13Å; I378-K381 WeakPolarHBondContact O-CG 3.16Å; I378-K381 PolarHBondContact O-N 3.41Å; K379-K381 VanDerWaalsContact C-N 3.31Å
382	I	93.7	Very high	95.2	Very high	44 Å²	44	53.8 Å²	53.8	23%	0.226	27%	0.269	C	S	.	.			trans	-112.6	144	-177.5	56.8	178.8	0	0	0	111.7	V362 L377 N380 L385 H401	V362-I382 HydrophobicContact CB-CD1 3.87Å; V362-I382 HydrophobicContact CG1-CD1 3.89Å; V362-I382 HydrophobicContact CG2-CD1 4.47Å; L377-I382 HydrophobicContact CD2-CG1 4.28Å; L377-I382 VanDerWaalsContact CD2-O 3.27Å; L377-I382 WeakPolarHBondContact CD2-O 3.47Å; L377-I382 PolarHBondContact O-N 3.03Å; N380-I382 VanDerWaalsContact C-N 3.31Å; N380-I382 HydrophobicContact CB-CD1 4.02Å; N380-I382 HydrophobicContact CB-CG1 4.02Å; N380-I382 HydrophobicContact CB-CG2 4.28Å; N380-I382 PolarHBondContact O-N 3.25Å; I382-L385 HydrophobicContact CD1-CD1 4.32Å; I382-H401 PolarHBondContact O-CE1 3.01Å; I382-H401 VanDerWaalsContact O-CE1 3.25Å
383	H	93.5	Very high	95	Very high	75 Å²	75	52.1 Å²	52.1	35%	0.347	27%	0.269	S	S	.	.	S	Bend	trans	-97.3	-1.9	-178.5	-72.5	-123	0	0	0	113.6
384	R	95.6	Very high	94.9	Very high	51 Å²	51	55.3 Å²	55.3	19%	0.192	29%	0.286	C	S	.	.			trans	-143.2	121.4	-172.9	-55.2	-66.2	170	-174.4	-9.3	107.4	A303 M317 I398 T400	A303-R384 HydrophobicContact CB-CG 3.85Å; M317-R384 HydrophobicContact CE-CB 4.44Å; R384-I398 HydrophobicContact CB-CG2 3.81Å; R384-I398 HydrophobicContact CG-CG2 4.39Å; R384-T400 VanDerWaalsContact NH1-CG2 3.3Å
385	L	97.4	Very high	94.9	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	108.6	175.8	177.4	64.6	0	0	0	108	V362 I364 A373 L377 I382 V387 L399	V362-L385 HydrophobicContact CG1-CD1 3.85Å; I364-L385 HydrophobicContact CB-CD1 4.38Å; I364-L385 HydrophobicContact CB-CD2 4.05Å; I364-L385 HydrophobicContact CB-CG 4.24Å; I364-L385 HydrophobicContact CD1-CD2 4.22Å; I364-L385 HydrophobicContact CG2-CD1 4.41Å; I364-L385 HydrophobicContact CG2-CD2 3.74Å; I364-L385 HydrophobicContact CG2-CG 3.79Å; A373-L385 HydrophobicContact CB-CD2 4.04Å; L377-L385 HydrophobicContact CD2-CB 3.69Å; L377-L385 HydrophobicContact CG-CB 4.08Å; L377-L385 HydrophobicContact CG-CD2 4.28Å; I382-L385 HydrophobicContact CD1-CD1 4.32Å; L385-V387 PolarHBondContact O-N 3.49Å; L385-L399 HydrophobicContact CB-CB 4.4Å; L385-L399 PolarHBondContact N-O 2.85Å; L385-L399 WeakPolarHBondContact O-CB 3.45Å; L385-L399 PolarHBondContact O-N 2.8Å
386	P	97.4	Very high	94.8	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	128.9	177	27.9	-33	0	0	0	110.4	M317 L361 V362 N363 I364 I388 Y397	M317-P386 HydrophobicContact SD-CB 4.08Å; M317-P386 HydrophobicContact SD-CG 3.86Å; L361-P386 HydrophobicContact CD1-CG 4.04Å; V362-P386 WeakPolarHBondContact O-CD 3.18Å; N363-P386 WeakPolarHBondContact CA-O 3.5Å; N363-P386 HydrophobicContact CB-CG 3.99Å; I364-P386 PolarHBondContact N-O 3.05Å; P386-I388 HydrophobicContact CB-CD1 4.43Å; P386-I388 HydrophobicContact CB-CG1 4.21Å; P386-Y397 WeakPolarHBondContact CA-O 3.5Å
387	V	97.6	Very high	94.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	116.9	168.2	-174.7	0	0	0	0	106.8	C270 I364 P366 L385 L396 Y397 L399	C270-V387 HydrophobicContact CB-CG1 4.45Å; I364-V387 HydrophobicContact CG2-CB 4.47Å; I364-V387 HydrophobicContact CG2-CG2 4Å; I364-V387 CarbonylContact O-C 3.55Å; I364-V387 VanDerWaalsContact O-CA 3.31Å; I364-V387 WeakPolarHBondContact O-CA 3.27Å; P366-V387 HydrophobicContact CB-CG1 3.94Å; L385-V387 PolarHBondContact O-N 3.49Å; V387-L396 PolarHBondContact O-N 2.81Å; V387-Y397 PolarHBondContact N-O 3.08Å; V387-L399 HydrophobicContact CG2-CB 4.15Å
388	I	96.6	Very high	95	Very high	21 Å²	21	57.2 Å²	57.2	11%	0.108	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.4	-178	-55.5	-176.7	0	0	0	108	F314 L361 N363 I364 P366 P386 P390 N394 A395	F314-I388 HydrophobicContact CB-CD1 4.18Å; F314-I388 HydrophobicContact CD2-CD1 4.17Å; F314-I388 HydrophobicContact CG-CD1 4.33Å; L361-I388 HydrophobicContact CD2-CD1 4.39Å; N363-I388 HydrophobicContact CB-CD1 3.72Å; N363-I388 HydrophobicContact CB-CG1 4.09Å; I364-I388 PolarHBondContact O-N 2.81Å; P366-I388 VanDerWaalsContact CD-O 3.27Å; P366-I388 WeakPolarHBondContact CD-O 3.41Å; P386-I388 HydrophobicContact CB-CD1 4.43Å; P386-I388 HydrophobicContact CB-CG1 4.21Å; I388-P390 WeakPolarHBondContact O-CD 3.39Å; I388-N394 WeakPolarHBondContact CA-O 3.27Å; I388-A395 HydrophobicContact CG1-CB 4.22Å
389	D	96.1	Very high	95.1	Very high	29 Å²	29	55.9 Å²	55.9	16%	0.155	29%	0.293	C	S	.	.			trans	-71.4	119.1	172.8	168.9	28.4	0	0	0	110.2	P366 I391 S392 G393 N394 L396	P366-D389 HydrophobicContact CG-CB 4.46Å; D389-I391 PolarHBondContact O-N 3.06Å; D389-I391 WeakPolarHBondContact OD1-CB 3.49Å; D389-I391 PolarHBondContact OD1-N 2.83Å; D389-S392 WeakPolarHBondContact OD2-CB 3.32Å; D389-S392 PolarHBondContact OD2-N 3.02Å; D389-S392 PolarHBondContact OD2-OG 3.06Å; D389-G393 WeakPolarHBondContact O-CA 3.4Å; D389-G393 PolarHBondContact O-N 2.98Å; D389-N394 PolarHBondContact N-O 3.01Å; D389-L396 HydrophobicContact CB-CD1 4.17Å; D389-L396 HydrophobicContact CB-CD2 4.38Å; D389-L396 HydrophobicContact CB-CG 4.3Å
390	P	95	Very high	95.2	Very high	95 Å²	95	50.2 Å²	50.2	62%	0.617	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-17	177.9	29.5	-35.9	0	0	0	113.6	I388	I388-P390 WeakPolarHBondContact O-CD 3.39Å
391	I	94.2	Very high	95.4	Very high	155 Å²	155	47 Å²	47	80%	0.795	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-50.2	-177.9	-56.1	178.1	0	0	0	111	D389	D389-I391 PolarHBondContact O-N 3.06Å; D389-I391 WeakPolarHBondContact OD1-CB 3.49Å; D389-I391 PolarHBondContact OD1-N 2.83Å
392	S	93.6	Very high	95.5	Very high	63 Å²	63	40.1 Å²	40.1	44%	0.441	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-7.4	-179.8	70.5	0	0	0	0	114.6	D389 N394	D389-S392 WeakPolarHBondContact OD2-CB 3.32Å; D389-S392 PolarHBondContact OD2-N 3.02Å; D389-S392 PolarHBondContact OD2-OG 3.06Å; S392-N394 VanDerWaalsContact CB-ND2 3.29Å; S392-N394 WeakPolarHBondContact CB-ND2 3.24Å; S392-N394 PolarHBondContact O-N 3.11Å; S392-N394 PolarHBondContact OG-ND2 3.41Å
393	G	92.9	Very high	95.5	Very high	37 Å²	37	40 Å²	40	38%	0.381	22%	0.219	S	C	.	.			trans	71	0.4	-176.1	0	0	0	0	0	114.6	F314 D389	F314-G393 WeakPolarHBondContact CE2-O 3.35Å; D389-G393 WeakPolarHBondContact O-CA 3.4Å; D389-G393 PolarHBondContact O-N 2.98Å
394	N	94.6	Very high	95.6	Very high	67 Å²	67	36.5 Å²	36.5	36%	0.358	20%	0.202	S	C	.	.			trans	-76.4	132.1	-175.4	-71.9	-65.4	0	0	0	111.9	I388 D389 S392 L396	I388-N394 WeakPolarHBondContact CA-O 3.27Å; D389-N394 PolarHBondContact N-O 3.01Å; S392-N394 VanDerWaalsContact CB-ND2 3.29Å; S392-N394 WeakPolarHBondContact CB-ND2 3.24Å; S392-N394 PolarHBondContact O-N 3.11Å; S392-N394 PolarHBondContact OG-ND2 3.41Å; N394-L396 HydrophobicContact CB-CD2 4.23Å; N394-L396 PolarHBondContact O-N 2.56Å
395	A	95.1	Very high	95.5	Very high	15 Å²	15	34 Å²	34	12%	0.124	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	119.8	162.5	0	0	0	0	0	109.2	L280 P305 F314 I388	L280-A395 HydrophobicContact CD2-CB 3.64Å; L280-A395 WeakPolarHBondContact CD2-O 3.31Å; P305-A395 HydrophobicContact CG-CB 4.48Å; F314-A395 HydrophobicContact CD2-CB 4.44Å; F314-A395 HydrophobicContact CE1-CB 4.08Å; F314-A395 HydrophobicContact CE2-CB 3.83Å; F314-A395 HydrophobicContact CZ-CB 3.63Å; I388-A395 HydrophobicContact CG1-CB 4.22Å
396	L	95.5	Very high	95.4	Very high	61 Å²	61	36.4 Å²	36.4	32%	0.319	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-41.7	-175.6	-55.6	-177.4	0	0	0	112.1	P366 V387 D389 N394	P366-L396 HydrophobicContact CB-CD1 4.04Å; P366-L396 HydrophobicContact CG-CD1 4.01Å; V387-L396 PolarHBondContact O-N 2.81Å; D389-L396 HydrophobicContact CB-CD1 4.17Å; D389-L396 HydrophobicContact CB-CD2 4.38Å; D389-L396 HydrophobicContact CB-CG 4.3Å; N394-L396 HydrophobicContact CB-CD2 4.23Å; N394-L396 PolarHBondContact O-N 2.56Å
397	Y	96.8	Very high	95.2	Very high	44 Å²	44	36.7 Å²	36.7	17%	0.173	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	165.8	-173	-167.6	-116.8	0	0	0	111.8	V274 P275 P386 V387 R403	V274-Y397 HydrophobicContact CG1-CD2 4.4Å; V274-Y397 HydrophobicContact CG1-CG 4.21Å; V274-Y397 HydrophobicContact CG2-CD1 4.31Å; V274-Y397 HydrophobicContact CG2-CG 4.26Å; P275-Y397 VanDerWaalsContact CD-CE2 3.48Å; P275-Y397 HydrophobicContact CG-CE2 3.9Å; P386-Y397 WeakPolarHBondContact CA-O 3.5Å; V387-Y397 PolarHBondContact N-O 3.08Å; Y397-R403 HydrophobicContact CE1-CG 4.3Å
398	I	97.3	Very high	94.9	Very high	24 Å²	24	36.7 Å²	36.7	12%	0.123	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	105.8	170.5	-54.3	168.5	0	0	0	108.5	L280 M317 R384	L280-I398 HydrophobicContact CD1-CD1 3.72Å; L280-I398 HydrophobicContact CD1-CG1 3.67Å; M317-I398 HydrophobicContact CE-CD1 3.84Å; M317-I398 HydrophobicContact CE-CG1 4.14Å; M317-I398 HydrophobicContact CE-CG2 4.23Å; R384-I398 HydrophobicContact CB-CG2 3.81Å; R384-I398 HydrophobicContact CG-CG2 4.39Å
399	L	96.8	Very high	94.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	149.1	178	-166	60.1	0	0	0	111.3	I273 A373 L385 V387 I404	I273-L399 HydrophobicContact CD1-CD1 4.05Å; I273-L399 HydrophobicContact CG1-CD1 4.4Å; I273-L399 HydrophobicContact CG2-CD1 3.62Å; A373-L399 HydrophobicContact CB-CD2 3.54Å; L385-L399 HydrophobicContact CB-CB 4.4Å; L385-L399 PolarHBondContact N-O 2.85Å; L385-L399 WeakPolarHBondContact O-CB 3.45Å; L385-L399 PolarHBondContact O-N 2.8Å; V387-L399 HydrophobicContact CG2-CB 4.15Å; L399-I404 HydrophobicContact CD1-CD1 4.33Å; L399-I404 HydrophobicContact CD1-CG1 3.85Å; L399-I404 HydrophobicContact CD2-CD1 4.02Å; L399-I404 HydrophobicContact CD2-CG1 4.28Å; L399-I404 HydrophobicContact CG-CD1 3.89Å; L399-I404 HydrophobicContact CG-CG1 3.99Å
400	T	95.8	Very high	94.3	Very high	13 Å²	13	39.9 Å²	39.9	8%	0.08	22%	0.22	C	C	.	.			trans	-148.7	150.1	-173.9	73	0	0	0	0	111.1	R384 K402 R403 I404	R384-T400 VanDerWaalsContact NH1-CG2 3.3Å; T400-K402 PolarHBondContact O-N 2.77Å; T400-R403 PolarHBondContact O-N 2.85Å; T400-R403 VanDerWaalsContact O-N 3.1Å; T400-R403 WeakPolarHBondContact OG1-CB 3.33Å; T400-R403 PolarHBondContact OG1-N 2.91Å; T400-R403 VanDerWaalsContact OG1-N 3.15Å; T400-I404 WeakPolarHBondContact O-CG1 3.29Å; T400-I404 PolarHBondContact O-N 2.88Å
401	H	95.2	Very high	94	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.028	20%	0.195	C	C	.	.	H	α-helix	trans	-49	-44	173.2	-59.1	110.3	0	0	0	112.9	I382 R403 I404 L405 L547 S548 L551	I382-H401 PolarHBondContact O-CE1 3.01Å; I382-H401 VanDerWaalsContact O-CE1 3.25Å; H401-R403 PolarHBondContact O-N 3.17Å; H401-I404 PolarHBondContact O-N 3.35Å; H401-L405 PolarHBondContact O-N 3.18Å; H401-L547 HydrophobicContact CB-CB 3.78Å; H401-L547 HydrophobicContact CB-CD1 4.33Å; H401-S548 PolarHBondContact CE1-OG 2.84Å; H401-S548 PolarHBondContact ND1-OG 3.12Å; H401-S548 PolarHBondContact NE2-OG 2.84Å; H401-L551 HydrophobicContact CB-CD1 3.77Å
402	K	94.1	Very high	93.5	Very high	42 Å²	42	29.6 Å²	29.6	18%	0.183	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-45.7	179.2	174.6	174.5	169.9	175.7	0	112.3	T400 K406 E528 H530 L547	T400-K402 PolarHBondContact O-N 2.77Å; K402-K406 WeakPolarHBondContact O-CB 3.4Å; K402-K406 PolarHBondContact O-N 3.34Å; K402-E528 VanDerWaalsContact CE-O 3.27Å; K402-E528 WeakPolarHBondContact CE-O 3.37Å; K402-E528 WeakPolarHBondContact CE-OE2 3.21Å; K402-E528 PolarHBondContact NZ-O 3.43Å; K402-E528 IonicContact NZ-OE2 3.52Å; K402-E528 PolarHBondContact NZ-OE2 3.26Å; K402-H530 WeakPolarHBondContact CD-NE2 3.17Å; K402-L547 HydrophobicContact CB-CD1 3.71Å
403	R	94.7	Very high	92.8	Very high	42 Å²	42	31.2 Å²	31.2	16%	0.158	17%	0.171	C	C	.	.	H	α-helix	trans	-66.1	-41.2	179.4	179	60.3	174	-173.9	1.9	110.6	L40 I273 Y397 T400 H401 F407	L40-R403 VanDerWaalsContact CD1-NH2 3.32Å; I273-R403 HydrophobicContact CD1-CG 4.01Å; I273-R403 HydrophobicContact CG1-CG 3.82Å; I273-R403 VanDerWaalsContact O-CZ 3.32Å; I273-R403 PolarHBondContact O-NE 3.12Å; I273-R403 PolarHBondContact O-NH2 2.87Å; Y397-R403 HydrophobicContact CE1-CG 4.3Å; T400-R403 PolarHBondContact O-N 2.85Å; T400-R403 VanDerWaalsContact O-N 3.1Å; T400-R403 WeakPolarHBondContact OG1-CB 3.33Å; T400-R403 PolarHBondContact OG1-N 2.91Å; T400-R403 VanDerWaalsContact OG1-N 3.15Å; H401-R403 PolarHBondContact O-N 3.17Å; R403-F407 WeakPolarHBondContact O-CB 3.45Å; R403-F407 PolarHBondContact O-N 3.3Å
404	I	95.6	Very high	92.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-52.5	176.6	-66.6	164.8	0	0	0	111.5	M265 I273 V374 L377 L399 T400 H401 K406 F407 L408 L551	M265-I404 HydrophobicContact CE-CG2 3.4Å; I273-I404 HydrophobicContact CD1-CB 4.46Å; I273-I404 HydrophobicContact CD1-CG1 4.12Å; V374-I404 HydrophobicContact CG2-CD1 3.95Å; V374-I404 HydrophobicContact CG2-CG2 3.82Å; L377-I404 HydrophobicContact CD1-CD1 3.37Å; L399-I404 HydrophobicContact CD1-CD1 4.33Å; L399-I404 HydrophobicContact CD1-CG1 3.85Å; L399-I404 HydrophobicContact CD2-CD1 4.02Å; L399-I404 HydrophobicContact CD2-CG1 4.28Å; L399-I404 HydrophobicContact CG-CD1 3.89Å; L399-I404 HydrophobicContact CG-CG1 3.99Å; T400-I404 WeakPolarHBondContact O-CG1 3.29Å; T400-I404 PolarHBondContact O-N 2.88Å; H401-I404 PolarHBondContact O-N 3.35Å; I404-K406 VanDerWaalsContact C-N 3.33Å; I404-K406 PolarHBondContact O-N 3.09Å; I404-F407 WeakPolarHBondContact O-CB 3.16Å; I404-F407 PolarHBondContact O-N 3.19Å; I404-F407 VanDerWaalsContact O-N 3.13Å; I404-L408 PolarHBondContact O-N 3.28Å; I404-L551 HydrophobicContact CB-CD1 4.3Å; I404-L551 HydrophobicContact CG2-CD1 4.22Å; I404-L551 HydrophobicContact CG2-CD2 3.84Å
405	L	94.2	Very high	91.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-38.7	-178.7	-169.3	66.8	0	0	0	111.7	H401 F407 L408 Q409 V521 I524 V525 L547 I550 L551 L554	H401-L405 PolarHBondContact O-N 3.18Å; L405-F407 VanDerWaalsContact C-N 3.33Å; L405-F407 PolarHBondContact O-N 2.98Å; L405-L408 HydrophobicContact CD1-CD2 4.48Å; L405-L408 PolarHBondContact O-N 3.18Å; L405-Q409 VanDerWaalsContact O-CB 3.28Å; L405-Q409 WeakPolarHBondContact O-CB 3.23Å; L405-Q409 PolarHBondContact O-N 3.26Å; L405-V521 HydrophobicContact CD1-CG1 4.24Å; L405-I524 HydrophobicContact CD2-CG2 3.78Å; L405-V525 HydrophobicContact CB-CG2 4.47Å; L405-V525 HydrophobicContact CD2-CG2 3.78Å; L405-V525 HydrophobicContact CG-CG2 3.77Å; L405-L547 HydrophobicContact CB-CD2 4.31Å; L405-L547 HydrophobicContact CD2-CD2 3.44Å; L405-L547 VanDerWaalsContact CD2-CD2 3.44Å; L405-I550 HydrophobicContact CD1-CG2 3.94Å; L405-I550 HydrophobicContact CD2-CG2 4.03Å; L405-L551 HydrophobicContact CB-CD2 4.25Å; L405-L551 HydrophobicContact CD1-CD2 3.96Å; L405-L554 HydrophobicContact CD1-CD1 3.82Å
406	K	93.6	Very high	91.2	Very high	49 Å²	49	37.5 Å²	37.5	21%	0.213	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-33.9	174.1	-170.2	168.8	-172.1	174.5	0	112.7	K402 I404 L410 V525 E528	K402-K406 WeakPolarHBondContact O-CB 3.4Å; K402-K406 PolarHBondContact O-N 3.34Å; I404-K406 VanDerWaalsContact C-N 3.33Å; I404-K406 PolarHBondContact O-N 3.09Å; K406-L410 WeakPolarHBondContact O-CG 3.39Å; K406-L410 PolarHBondContact O-N 3.44Å; K406-V525 HydrophobicContact CB-CG1 4.19Å; K406-V525 HydrophobicContact CG-CG1 4.01Å; K406-E528 IonicContact NZ-OE1 3.32Å; K406-E528 PolarHBondContact NZ-OE1 3.17Å
407	F	93.6	Very high	90.7	Very high	7 Å²	7	38.5 Å²	38.5	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-67.9	-47.8	172.9	-179.6	-92.4	0	0	0	111.4	F264 H268 D272 I273 L370 R403 I404 L405 Q409 L410 F411	F264-F407 HydrophobicContact CE1-CD1 4.23Å; F264-F407 AromaticContact CE1-CE1 3.9Å; F264-F407 HydrophobicContact CE1-CE1 3.9Å; F264-F407 AromaticContact CZ-CE1 3.97Å; F264-F407 HydrophobicContact CZ-CE1 3.97Å; H268-F407 HydrophobicContact CB-CE1 4.39Å; D272-F407 HydrophobicContact CB-CZ 4.31Å; I273-F407 HydrophobicContact CB-CD2 4.12Å; I273-F407 HydrophobicContact CB-CE2 4.38Å; I273-F407 HydrophobicContact CB-CG 4.36Å; I273-F407 HydrophobicContact CD1-CB 3.35Å; I273-F407 HydrophobicContact CD1-CD1 4.2Å; I273-F407 HydrophobicContact CD1-CD2 4.2Å; I273-F407 HydrophobicContact CD1-CG 3.69Å; I273-F407 HydrophobicContact CG1-CB 3.79Å; I273-F407 HydrophobicContact CG1-CD2 3.82Å; I273-F407 HydrophobicContact CG1-CG 3.85Å; L370-F407 HydrophobicContact CD1-CD1 3.78Å; L370-F407 HydrophobicContact CD1-CE1 3.58Å; L370-F407 HydrophobicContact CD1-CZ 4.38Å; R403-F407 WeakPolarHBondContact O-CB 3.45Å; R403-F407 PolarHBondContact O-N 3.3Å; I404-F407 WeakPolarHBondContact O-CB 3.16Å; I404-F407 PolarHBondContact O-N 3.19Å; I404-F407 VanDerWaalsContact O-N 3.13Å; L405-F407 VanDerWaalsContact C-N 3.33Å; L405-F407 PolarHBondContact O-N 2.98Å; F407-Q409 VanDerWaalsContact C-N 3.34Å; F407-Q409 PolarHBondContact O-N 3.25Å; F407-L410 PolarHBondContact O-N 2.74Å; F407-F411 HydrophobicContact CD1-CE2 4.25Å; F407-F411 HydrophobicContact CD2-CE2 4.15Å; F407-F411 HydrophobicContact CE1-CD2 4.4Å; F407-F411 AromaticContact CE1-CE2 3.92Å; F407-F411 HydrophobicContact CE1-CE2 3.92Å; F407-F411 AromaticContact CE2-CE2 3.83Å; F407-F411 HydrophobicContact CE2-CE2 3.83Å; F407-F411 HydrophobicContact CE2-CZ 4.37Å; F407-F411 HydrophobicContact CG-CE2 4.36Å; F407-F411 AromaticContact CZ-CE2 3.71Å; F407-F411 HydrophobicContact CZ-CE2 3.71Å; F407-F411 HydrophobicContact CZ-CZ 4.3Å; F407-F411 WeakPolarHBondContact O-CD2 3.26Å
408	L	92.5	Very high	90.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-46.8	176.5	-175.9	64	0	0	0	111.2	Y261 F264 M265 I404 L405 L410 F411 M412 M415 L554	Y261-L408 HydrophobicContact CD1-CD1 4.2Å; F264-L408 HydrophobicContact CD1-CD1 3.55Å; F264-L408 HydrophobicContact CE1-CD1 3.82Å; F264-L408 HydrophobicContact CG-CD1 4.34Å; M265-L408 HydrophobicContact CG-CD1 4.47Å; M265-L408 HydrophobicContact SD-CD1 4.34Å; I404-L408 PolarHBondContact O-N 3.28Å; L405-L408 HydrophobicContact CD1-CD2 4.48Å; L405-L408 PolarHBondContact O-N 3.18Å; L408-L410 VanDerWaalsContact C-N 3.26Å; L408-L410 PolarHBondContact O-N 3.28Å; L408-F411 PolarHBondContact O-N 2.88Å; L408-M412 HydrophobicContact CD2-SD 4.26Å; L408-M412 HydrophobicContact CG-CG 4Å; L408-M412 HydrophobicContact CG-SD 3.94Å; L408-M412 WeakPolarHBondContact O-CG 3.3Å; L408-M412 PolarHBondContact O-N 2.93Å; L408-M415 HydrophobicContact CD1-CE 3.98Å; L408-L554 HydrophobicContact CD2-CD1 4.03Å
409	Q	89.6	Confident	89.6	Confident	46 Å²	46	38.9 Å²	38.9	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-29	-177.6	-167.6	-102.8	-4.6	0	0	113.7	L405 F407 F411 M412 D522 V525	L405-Q409 VanDerWaalsContact O-CB 3.28Å; L405-Q409 WeakPolarHBondContact O-CB 3.23Å; L405-Q409 PolarHBondContact O-N 3.26Å; F407-Q409 VanDerWaalsContact C-N 3.34Å; F407-Q409 PolarHBondContact O-N 3.25Å; Q409-F411 PolarHBondContact O-N 2.92Å; Q409-M412 HydrophobicContact CB-SD 4.3Å; Q409-M412 PolarHBondContact O-N 2.9Å; Q409-D522 PolarHBondContact NE2-OD1 3.32Å; Q409-V525 HydrophobicContact CB-CG1 4.32Å; Q409-V525 HydrophobicContact CB-CG2 4.23Å; Q409-V525 HydrophobicContact CG-CB 4.36Å; Q409-V525 HydrophobicContact CG-CG1 4.21Å; Q409-V525 HydrophobicContact CG-CG2 4.29Å
410	L	89.7	Confident	89.1	Confident	72 Å²	72	39.1 Å²	39.1	38%	0.377	22%	0.217	S	C	.	.	H	α-helix	trans	-63.1	-25.3	172.9	-71.9	167.5	0	0	0	113.6	L40 K406 F407 L408	L40-L410 HydrophobicContact CD2-CD1 4.09Å; K406-L410 WeakPolarHBondContact O-CG 3.39Å; K406-L410 PolarHBondContact O-N 3.44Å; F407-L410 PolarHBondContact O-N 2.74Å; L408-L410 VanDerWaalsContact C-N 3.26Å; L408-L410 PolarHBondContact O-N 3.28Å
411	F	88.7	Confident	88.7	Confident	20 Å²	20	38.5 Å²	38.5	9%	0.088	21%	0.213	C	C	.	.	H	α-helix	trans	-110.9	-7.1	179.9	-53.2	-84.5	0	0	0	113.2	V35 F264 F407 L408 Q409 S413 D414 M415	V35-F411 HydrophobicContact CB-CE1 4.48Å; V35-F411 HydrophobicContact CG1-CD1 4.18Å; V35-F411 HydrophobicContact CG1-CE1 3.78Å; F264-F411 HydrophobicContact CE1-CD2 4.37Å; F264-F411 HydrophobicContact CE2-CB 3.71Å; F264-F411 HydrophobicContact CE2-CD2 4.05Å; F264-F411 AromaticContact CE2-CG 3.85Å; F264-F411 HydrophobicContact CE2-CG 3.85Å; F264-F411 HydrophobicContact CZ-CB 3.83Å; F264-F411 AromaticContact CZ-CD2 3.42Å; F264-F411 HydrophobicContact CZ-CD2 3.42Å; F264-F411 VanDerWaalsContact CZ-CD2 3.42Å; F264-F411 HydrophobicContact CZ-CE2 4.09Å; F264-F411 AromaticContact CZ-CG 3.72Å; F264-F411 HydrophobicContact CZ-CG 3.72Å; F407-F411 HydrophobicContact CD1-CE2 4.25Å; F407-F411 HydrophobicContact CD2-CE2 4.15Å; F407-F411 HydrophobicContact CE1-CD2 4.4Å; F407-F411 AromaticContact CE1-CE2 3.92Å; F407-F411 HydrophobicContact CE1-CE2 3.92Å; F407-F411 AromaticContact CE2-CE2 3.83Å; F407-F411 HydrophobicContact CE2-CE2 3.83Å; F407-F411 HydrophobicContact CE2-CZ 4.37Å; F407-F411 HydrophobicContact CG-CE2 4.36Å; F407-F411 AromaticContact CZ-CE2 3.71Å; F407-F411 HydrophobicContact CZ-CE2 3.71Å; F407-F411 HydrophobicContact CZ-CZ 4.3Å; F407-F411 WeakPolarHBondContact O-CD2 3.26Å; L408-F411 PolarHBondContact O-N 2.88Å; Q409-F411 PolarHBondContact O-N 2.92Å; F411-S413 PolarHBondContact O-N 3.3Å; F411-D414 PolarHBondContact O-N 2.83Å; F411-M415 HydrophobicContact CB-CE 4.05Å; F411-M415 PolarHBondContact O-N 3.24Å
412	M	83.8	Confident	88.4	Confident	13 Å²	13	45.1 Å²	45.1	6%	0.064	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.8	178.2	-79.3	173.5	74.5	0	0	113.9	Y261 L408 Q409 M415 K417 M421 V521	Y261-M412 HydrophobicContact CE1-CE 4.4Å; Y261-M412 HydrophobicContact CE1-CG 3.85Å; Y261-M412 HydrophobicContact CE2-CE 4.43Å; L408-M412 HydrophobicContact CD2-SD 4.26Å; L408-M412 HydrophobicContact CG-CG 4Å; L408-M412 HydrophobicContact CG-SD 3.94Å; L408-M412 WeakPolarHBondContact O-CG 3.3Å; L408-M412 PolarHBondContact O-N 2.93Å; Q409-M412 HydrophobicContact CB-SD 4.3Å; Q409-M412 PolarHBondContact O-N 2.9Å; M412-M415 HydrophobicContact CG-CE 4.35Å; M412-K417 WeakPolarHBondContact O-CE 3.46Å; M412-M421 HydrophobicContact CE-CE 3.49Å; M412-M421 VanDerWaalsContact CE-CE 3.49Å; M412-M421 HydrophobicContact CE-SD 4.3Å; M412-V521 HydrophobicContact CE-CG1 4.05Å; M412-V521 HydrophobicContact SD-CG1 4.13Å
413	S	77.9	Confident	88.3	Confident	98 Å²	98	45.4 Å²	45.4	69%	0.685	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-29.7	172.6	-59.5	0	0	0	0	113.4	F411	F411-S413 PolarHBondContact O-N 3.3Å
414	D	82.7	Confident	88.1	Confident	127 Å²	127	45.3 Å²	45.3	68%	0.679	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-11.4	-176.8	-65.7	-15.4	0	0	0	112.5	F411	F411-D414 PolarHBondContact O-N 2.83Å
415	M	83.4	Confident	87.9	Confident	30 Å²	30	45.3 Å²	45.3	15%	0.148	25%	0.246	C	C	.	.	S	Bend	trans	-98.3	147.9	-179.4	-72.5	-170.5	-78.2	0	0	112.4	V260 Y261 F264 L408 F411 M412 K417	V260-M415 HydrophobicContact CG1-CB 4.12Å; V260-M415 HydrophobicContact CG1-CG 4.46Å; V260-M415 HydrophobicContact CG1-SD 4.02Å; Y261-M415 HydrophobicContact CD1-CE 3.94Å; Y261-M415 HydrophobicContact CD1-SD 4.37Å; Y261-M415 HydrophobicContact CE1-CE 4.06Å; F264-M415 HydrophobicContact CB-CE 4.36Å; F264-M415 HydrophobicContact CB-SD 3.74Å; F264-M415 HydrophobicContact CD1-CE 4.34Å; F264-M415 HydrophobicContact CD2-CE 3.73Å; F264-M415 HydrophobicContact CD2-SD 3.41Å; F264-M415 WeakPolarHBondContact CD2-SD 3.35Å; F264-M415 HydrophobicContact CE2-CE 4.09Å; F264-M415 HydrophobicContact CE2-SD 4.22Å; F264-M415 HydrophobicContact CG-CE 3.88Å; F264-M415 HydrophobicContact CG-SD 3.71Å; L408-M415 HydrophobicContact CD1-CE 3.98Å; F411-M415 HydrophobicContact CB-CE 4.05Å; F411-M415 PolarHBondContact O-N 3.24Å; M412-M415 HydrophobicContact CG-CE 4.35Å; M415-K417 PolarHBondContact O-N 3.35Å
416	P	84.4	Confident	87.7	Confident	93 Å²	93	49.4 Å²	49.4	60%	0.604	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-61.8	121.9	169.2	26.5	-32.6	0	0	0	109.7	V260 P418	V260-P416 HydrophobicContact CG1-CG 4.23Å; V260-P416 HydrophobicContact CG2-CG 4.04Å; P416-P418 WeakPolarHBondContact O-CD 3.5Å
417	K	83.9	Confident	87.5	Confident	83 Å²	83	51.7 Å²	51.7	36%	0.361	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-78.8	116.9	-178.7	-64	179.8	178.3	176.2	0	109.6	M412 M415 E518	M412-K417 WeakPolarHBondContact O-CE 3.46Å; M415-K417 PolarHBondContact O-N 3.35Å; K417-E518 WeakPolarHBondContact CD-OE2 3.38Å; K417-E518 IonicContact NZ-OE1 2.65Å; K417-E518 PolarHBondContact NZ-OE1 3.02Å; K417-E518 IonicContact NZ-OE2 3.84Å
418	P	85.4	Confident	87.2	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.019	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-66.3	153.2	-179.3	27.4	-33.6	0	0	0	111.4	Y261 P416 F420 M421	Y261-P418 HydrophobicContact CD2-CG 4.19Å; Y261-P418 HydrophobicContact CE2-CG 3.65Å; P416-P418 WeakPolarHBondContact O-CD 3.5Å; P418-F420 HydrophobicContact CB-CD1 3.93Å; P418-F420 HydrophobicContact CB-CE1 3.67Å; P418-F420 HydrophobicContact CB-CZ 4.15Å; P418-F420 HydrophobicContact CG-CD1 4.07Å; P418-F420 HydrophobicContact CG-CE1 3.5Å; P418-F420 VanDerWaalsContact CG-CE1 3.5Å; P418-F420 HydrophobicContact CG-CE2 3.96Å; P418-F420 HydrophobicContact CG-CZ 3.43Å; P418-F420 VanDerWaalsContact CG-CZ 3.43Å; P418-F420 PolarHBondContact O-N 2.54Å; P418-M421 HydrophobicContact CG-CG 4.02Å; P418-M421 WeakPolarHBondContact O-CB 3.43Å; P418-M421 PolarHBondContact O-N 2.87Å
419	A	85.2	Confident	87.1	Confident	72 Å²	72	55 Å²	55	60%	0.595	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-51.1	-38	-172.7	0	0	0	0	0	114.2	M421 K422	A419-M421 PolarHBondContact O-N 2.86Å; A419-M421 VanDerWaalsContact O-N 3.12Å; A419-K422 PolarHBondContact O-N 3.19Å
420	F	87.2	Confident	87.2	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.026	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-62.7	-17.7	-179.7	68.5	-110.3	0	0	0	114.5	Y261 P418 K422 Q423 L428 L517 L554 P558	Y261-F420 HydrophobicContact CD2-CZ 4.11Å; Y261-F420 HydrophobicContact CE2-CE2 4.34Å; Y261-F420 HydrophobicContact CE2-CZ 4.25Å; P418-F420 HydrophobicContact CB-CD1 3.93Å; P418-F420 HydrophobicContact CB-CE1 3.67Å; P418-F420 HydrophobicContact CB-CZ 4.15Å; P418-F420 HydrophobicContact CG-CD1 4.07Å; P418-F420 HydrophobicContact CG-CE1 3.5Å; P418-F420 VanDerWaalsContact CG-CE1 3.5Å; P418-F420 HydrophobicContact CG-CE2 3.96Å; P418-F420 HydrophobicContact CG-CZ 3.43Å; P418-F420 VanDerWaalsContact CG-CZ 3.43Å; P418-F420 PolarHBondContact O-N 2.54Å; F420-K422 PolarHBondContact O-N 2.89Å; F420-Q423 PolarHBondContact O-N 2.93Å; F420-L428 HydrophobicContact CB-CD2 3.96Å; F420-L517 HydrophobicContact CD2-CD2 4.15Å; F420-L517 HydrophobicContact CE2-CD2 4.4Å; F420-L554 HydrophobicContact CE2-CD2 3.86Å; F420-P558 HydrophobicContact CE1-CB 4.04Å
421	M	88.4	Confident	87.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-65.3	-22.9	173.8	-70.4	-61.3	-59.7	0	0	113	Y261 M412 P418 A419 L517 E518 V521 L554	Y261-M421 HydrophobicContact CE2-CG 3.96Å; Y261-M421 HydrophobicContact CE2-SD 3.74Å; M412-M421 HydrophobicContact CE-CE 3.49Å; M412-M421 VanDerWaalsContact CE-CE 3.49Å; M412-M421 HydrophobicContact CE-SD 4.3Å; P418-M421 HydrophobicContact CG-CG 4.02Å; P418-M421 WeakPolarHBondContact O-CB 3.43Å; P418-M421 PolarHBondContact O-N 2.87Å; A419-M421 PolarHBondContact O-N 2.86Å; A419-M421 VanDerWaalsContact O-N 3.12Å; M421-L517 HydrophobicContact CE-CG 4.46Å; M421-L517 HydrophobicContact SD-CD2 3.93Å; M421-L517 HydrophobicContact SD-CG 4.26Å; M421-E518 HydrophobicContact CE-CB 3.96Å; M421-E518 HydrophobicContact CE-CG 4.35Å; M421-E518 WeakPolarHBondContact O-CB 3.2Å; M421-E518 PolarHBondContact O-N 3.14Å; M421-E518 VanDerWaalsContact O-N 3.07Å; M421-V521 HydrophobicContact CE-CG2 4.47Å; M421-L554 HydrophobicContact SD-CD2 3.66Å
422	K	88.7	Confident	87.7	Confident	145 Å²	145	53.2 Å²	53.2	63%	0.63	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-98.7	-4.3	-179.6	-58.3	178.2	-177.1	173.7	0	113.4	A419 F420 I516	A419-K422 PolarHBondContact O-N 3.19Å; F420-K422 PolarHBondContact O-N 2.89Å; K422-I516 VanDerWaalsContact O-CG2 3.29Å; K422-I516 WeakPolarHBondContact O-CG2 3.4Å
423	Q	90.4	Very high	88.2	Confident	47 Å²	47	54.2 Å²	54.2	22%	0.22	31%	0.314	C	S	.	.	S	Bend	trans	-80.1	156.7	173	-75.5	175	-39.4	0	0	110.3	F420 E427 L428 I516 L517	F420-Q423 PolarHBondContact O-N 2.93Å; Q423-E427 WeakPolarHBondContact CA-OE2 3.21Å; Q423-E427 VanDerWaalsContact CB-OE2 3.31Å; Q423-E427 WeakPolarHBondContact CB-OE2 3.35Å; Q423-L428 HydrophobicContact CB-CD1 3.97Å; Q423-L428 HydrophobicContact CB-CD2 3.82Å; Q423-L428 HydrophobicContact CB-CG 3.78Å; Q423-L428 WeakPolarHBondContact O-CD1 3.29Å; Q423-L428 VanDerWaalsContact OE1-CD2 3.31Å; Q423-I516 WeakPolarHBondContact O-CA 3.23Å; Q423-L517 PolarHBondContact O-N 2.89Å
424	N	91.7	Very high	88.9	Confident	40 Å²	40	56.6 Å²	56.6	21%	0.214	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-83.1	155.4	-177.5	-62.1	-56.7	0	0	0	111.8	D426 E427 L428 L514	N424-D426 PolarHBondContact O-N 2.86Å; N424-D426 VanDerWaalsContact O-N 3.14Å; N424-E427 HydrophobicContact CB-CG 4.38Å; N424-E427 PolarHBondContact N-OE2 3.13Å; N424-E427 PolarHBondContact ND2-OE1 3.4Å; N424-E427 PolarHBondContact O-N 3.44Å; N424-E427 VanDerWaalsContact O-N 3.16Å; N424-L428 WeakPolarHBondContact O-CD1 3.16Å; N424-L428 VanDerWaalsContact O-CG 3.26Å; N424-L428 WeakPolarHBondContact O-CG 3.37Å; N424-L428 PolarHBondContact O-N 3.38Å; N424-L428 VanDerWaalsContact O-N 3.12Å; N424-L514 PolarHBondContact OD1-O 3.4Å
425	L	90.8	Very high	89.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-53.6	-35.9	177.5	-79.5	-176.7	0	0	0	113.8	L428 G429 I430 K513 E515 I520 V534 I545	L425-L428 PolarHBondContact O-N 2.81Å; L425-G429 PolarHBondContact O-N 2.87Å; L425-I430 HydrophobicContact CD2-CB 4.17Å; L425-K513 PolarHBondContact N-O 3.05Å; L425-E515 PolarHBondContact N-O 3.05Å; L425-E515 VanDerWaalsContact N-O 3.16Å; L425-I520 HydrophobicContact CD1-CD1 3.41Å; L425-I520 VanDerWaalsContact CD1-CD1 3.41Å; L425-I520 HydrophobicContact CD2-CD1 3.9Å; L425-I520 HydrophobicContact CG-CD1 3.39Å; L425-V534 HydrophobicContact CD1-CG2 4.45Å; L425-I545 HydrophobicContact CD2-CD1 3.6Å
426	D	89.5	Confident	89.9	Confident	86 Å²	86	58.1 Å²	58.1	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-69.3	-38.3	-178.3	-134.6	31.8	0	0	0	112.8	N424 L428 K513	N424-D426 PolarHBondContact O-N 2.86Å; N424-D426 VanDerWaalsContact O-N 3.14Å; D426-L428 VanDerWaalsContact C-N 3.35Å; D426-K513 HydrophobicContact CB-CB 4.34Å; D426-K513 PolarHBondContact N-O 2.96Å; D426-K513 VanDerWaalsContact OD1-CD 3.24Å; D426-K513 WeakPolarHBondContact OD1-CD 3.48Å; D426-K513 WeakPolarHBondContact OD1-CE 3.4Å; D426-K513 IonicContact OD1-NZ 3.22Å; D426-K513 PolarHBondContact OD1-NZ 3.14Å; D426-K513 IonicContact OD2-NZ 3.12Å
427	E	89.9	Confident	90.4	Very high	98 Å²	98	54.2 Å²	54.2	46%	0.458	30%	0.298	S	S	.	.	H	α-helix	trans	-68.7	-35.6	175.6	-65.4	154.2	-159.5	0	0	111.7	Q423 N424	Q423-E427 WeakPolarHBondContact CA-OE2 3.21Å; Q423-E427 VanDerWaalsContact CB-OE2 3.31Å; Q423-E427 WeakPolarHBondContact CB-OE2 3.35Å; N424-E427 HydrophobicContact CB-CG 4.38Å; N424-E427 PolarHBondContact N-OE2 3.13Å; N424-E427 PolarHBondContact ND2-OE1 3.4Å; N424-E427 PolarHBondContact O-N 3.44Å; N424-E427 VanDerWaalsContact O-N 3.16Å
428	L	88.4	Confident	90.9	Very high	23 Å²	23	54.7 Å²	54.7	12%	0.12	30%	0.3	C	S	.	.	H	α-helix	trans	-85.2	-19.2	-176.2	-64.3	165.5	0	0	0	113.2	F420 Q423 N424 L425 D426 I430 L517 A559	F420-L428 HydrophobicContact CB-CD2 3.96Å; Q423-L428 HydrophobicContact CB-CD1 3.97Å; Q423-L428 HydrophobicContact CB-CD2 3.82Å; Q423-L428 HydrophobicContact CB-CG 3.78Å; Q423-L428 WeakPolarHBondContact O-CD1 3.29Å; Q423-L428 VanDerWaalsContact OE1-CD2 3.31Å; N424-L428 WeakPolarHBondContact O-CD1 3.16Å; N424-L428 VanDerWaalsContact O-CG 3.26Å; N424-L428 WeakPolarHBondContact O-CG 3.37Å; N424-L428 PolarHBondContact O-N 3.38Å; N424-L428 VanDerWaalsContact O-N 3.12Å; L425-L428 PolarHBondContact O-N 2.81Å; D426-L428 VanDerWaalsContact C-N 3.35Å; L428-I430 HydrophobicContact CB-CD1 3.69Å; L428-I430 HydrophobicContact CB-CG1 3.76Å; L428-I430 HydrophobicContact CD1-CD1 3.97Å; L428-I430 HydrophobicContact CG-CD1 4.34Å; L428-I430 PolarHBondContact O-N 2.84Å; L428-L517 HydrophobicContact CD1-CB 3.81Å; L428-L517 HydrophobicContact CD1-CD2 4.21Å; L428-A559 HydrophobicContact CB-CB 4.48Å; L428-A559 HydrophobicContact CD2-CB 3.53Å
429	G	90.2	Very high	91.4	Very high	52 Å²	52	54.8 Å²	54.8	54%	0.536	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	22.9	-177.7	0	0	0	0	0	114.9	L425 G431	L425-G429 PolarHBondContact O-N 2.87Å; G429-G431 PolarHBondContact O-N 3.43Å
430	I	91.9	Very high	92	Very high	8 Å²	8	55.2 Å²	55.2	4%	0.041	29%	0.29	C	S	.	.			trans	-84.2	116.6	-171.4	-57.3	167.2	0	0	0	111.2	L425 L428 Y433 L517 I545 D549 A553 A559	L425-I430 HydrophobicContact CD2-CB 4.17Å; L428-I430 HydrophobicContact CB-CD1 3.69Å; L428-I430 HydrophobicContact CB-CG1 3.76Å; L428-I430 HydrophobicContact CD1-CD1 3.97Å; L428-I430 HydrophobicContact CG-CD1 4.34Å; L428-I430 PolarHBondContact O-N 2.84Å; I430-Y433 PolarHBondContact O-OH 2.99Å; I430-Y433 VanDerWaalsContact O-OH 3.06Å; I430-L517 HydrophobicContact CD1-CD1 3.95Å; I430-L517 HydrophobicContact CD1-CD2 3.85Å; I430-L517 HydrophobicContact CD1-CG 4.48Å; I430-I545 HydrophobicContact CB-CD1 4.27Å; I430-I545 HydrophobicContact CG2-CD1 3.61Å; I430-I545 HydrophobicContact CG2-CG1 4.17Å; I430-D549 HydrophobicContact CG2-CB 4.08Å; I430-A553 HydrophobicContact CD1-CB 3.53Å; I430-A553 HydrophobicContact CG1-CB 3.69Å; I430-A553 HydrophobicContact CG2-CB 4.17Å; I430-A559 HydrophobicContact CD1-CB 4.43Å
431	G	92.6	Very high	92.3	Very high	21 Å²	21	56.5 Å²	56.5	22%	0.216	30%	0.299	C	S	.	.	S	Bend	trans	119	-171.3	176.5	0	0	0	0	0	112.5	G429	G429-G431 PolarHBondContact O-N 3.43Å
432	T	94.7	Very high	92.7	Very high	72 Å²	72	62.3 Å²	62.3	44%	0.442	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-109.8	114.9	179.4	-59.1	0	0	0	0	110.6	H434 G543 I544	T432-H434 WeakPolarHBondContact CG2-O 3.43Å; T432-G543 CarbonylContact O-C 3.55Å; T432-G543 WeakPolarHBondContact O-CA 3.21Å; T432-I544 PolarHBondContact N-O 3.46Å; T432-I544 PolarHBondContact O-N 3.36Å
433	Y	94.3	Very high	93	Very high	34 Å²	34	56 Å²	56	13%	0.133	30%	0.303	C	S	.	.			trans	-112	3.6	-178.5	-62.1	-76.8	0	0	0	113.9	I430 K513 V534 V542	I430-Y433 PolarHBondContact O-OH 2.99Å; I430-Y433 VanDerWaalsContact O-OH 3.06Å; Y433-K513 HydrophobicContact CE1-CG 4.11Å; Y433-V534 HydrophobicContact CE1-CB 4.18Å; Y433-V534 HydrophobicContact CE1-CG1 4.1Å; Y433-V534 HydrophobicContact CE1-CG2 4.03Å; Y433-V542 HydrophobicContact CD1-CG1 4.4Å
434	H	93.2	Very high	93.2	Very high	149 Å²	149	56 Å²	56	69%	0.69	31%	0.308	S	S	*	.	S	Bend	trans	-134	147.6	-174.4	-46.8	-43.7	0	0	0	110.2	T432 I436	T432-H434 WeakPolarHBondContact CG2-O 3.43Å; H434-I436 PolarHBondContact O-N 2.85Å; H434-I436 VanDerWaalsContact O-N 3.08Å
435	N	91.9	Very high	93.3	Very high	154 Å²	154	54.1 Å²	54.1	82%	0.824	30%	0.297	S	S	*	.	S	Bend	trans	50.7	33.1	179	-62.6	-29.5	0	0	0	114.3	A437 R455	N435-A437 PolarHBondContact O-N 3.41Å; N435-R455 PolarHBondContact O-NH1 3.47Å
436	I	94.3	Very high	93.4	Very high	34 Å²	34	55.6 Å²	55.6	17%	0.174	31%	0.305	C	S	.	.			trans	-60.8	134.7	-178.4	-56.3	153.9	0	0	0	109.1	H434 I541 V542 I544	H434-I436 PolarHBondContact O-N 2.85Å; H434-I436 VanDerWaalsContact O-N 3.08Å; I436-I541 HydrophobicContact CG2-CD1 3.71Å; I436-I541 HydrophobicContact CG2-CG1 4.45Å; I436-V542 VanDerWaalsContact CD1-O 3.28Å; I436-V542 WeakPolarHBondContact CD1-O 3.41Å; I436-I544 HydrophobicContact CG2-CD1 3.91Å; I436-I544 HydrophobicContact CG2-CG1 4.1Å
437	A	95.2	Very high	93.7	Very high	11 Å²	11	57.5 Å²	57.5	9%	0.091	31%	0.309	C	S	.	.			trans	-97	121.8	176.5	0	0	0	0	0	109.9	N435 I451 I457 L460 P461	N435-A437 PolarHBondContact O-N 3.41Å; A437-I451 HydrophobicContact CB-CG2 3.94Å; A437-I457 HydrophobicContact CB-CD1 3.55Å; A437-L460 HydrophobicContact CB-CD2 3.62Å; A437-P461 WeakPolarHBondContact O-CD 3.42Å
438	F	95.5	Very high	94	Very high	93 Å²	93	52.9 Å²	52.9	41%	0.408	29%	0.288	S	S	.	.			trans	-129.6	172.1	174.7	59.8	-99.5	0	0	0	109.7	P461 V463	F438-P461 VanDerWaalsContact CA-O 3.31Å; F438-P461 WeakPolarHBondContact CA-O 3.31Å; F438-P461 WeakPolarHBondContact CB-O 3.49Å; F438-V463 HydrophobicContact CB-CG1 4.26Å; F438-V463 HydrophobicContact CB-CG2 4.19Å; F438-V463 HydrophobicContact CD2-CG2 3.34Å; F438-V463 HydrophobicContact CE2-CG2 3.86Å; F438-V463 HydrophobicContact CG-CG2 3.9Å
439	I	96.5	Very high	94.3	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.031	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-140.4	163.2	177	54.3	176.4	0	0	0	109.8	T443 A448 I451 L460 P461 V462 V463 V494	I439-T443 HydrophobicContact CB-CG2 4.11Å; I439-T443 HydrophobicContact CG2-CG2 4Å; I439-A448 HydrophobicContact CD1-CB 4.14Å; I439-I451 HydrophobicContact CG2-CD1 3.9Å; I439-L460 HydrophobicContact CD1-CB 3.99Å; I439-L460 HydrophobicContact CD1-CD1 4.26Å; I439-L460 HydrophobicContact CG1-CB 4Å; I439-L460 HydrophobicContact CG2-CB 4.41Å; I439-L460 HydrophobicContact CG2-CD1 3.99Å; I439-L460 HydrophobicContact CG2-CD2 4.44Å; I439-P461 PolarHBondContact N-O 2.86Å; I439-V462 HydrophobicContact CD1-CG2 4.18Å; I439-V462 HydrophobicContact CG1-CG2 4.09Å; I439-V462 CarbonylContact O-C 3.56Å; I439-V462 VanDerWaalsContact O-CA 3.29Å; I439-V462 WeakPolarHBondContact O-CA 3.44Å; I439-V463 PolarHBondContact O-N 3.09Å; I439-V494 HydrophobicContact CD1-CB 4.22Å; I439-V494 HydrophobicContact CD1-CG1 3.88Å; I439-V494 HydrophobicContact CD1-CG2 3.92Å
440	H	96.5	Very high	94.5	Very high	81 Å²	81	51.8 Å²	51.8	38%	0.375	27%	0.27	S	S	.	.			trans	-98.2	157.5	174.4	-62.4	-63.1	0	0	0	111.8	D442 T443 V463	H440-D442 PolarHBondContact O-N 3.02Å; H440-D442 VanDerWaalsContact O-N 3.1Å; H440-T443 PolarHBondContact N-OG1 3Å; H440-T443 WeakPolarHBondContact O-CB 3.48Å; H440-T443 PolarHBondContact O-N 3.03Å; H440-T443 PolarHBondContact O-OG1 3.25Å; H440-V463 PolarHBondContact ND1-O 2.85Å
441	P	94.4	Very high	94.7	Very high	33 Å²	33	52.6 Å²	52.6	21%	0.214	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.9	-41.6	179	-34.5	37.8	0	0	0	115.3	T443 V462 V463 V470 T495	P441-T443 VanDerWaalsContact C-N 3.32Å; P441-T443 PolarHBondContact O-N 2.89Å; P441-V462 HydrophobicContact CG-CG1 4Å; P441-V463 VanDerWaalsContact CD-O 3.3Å; P441-V463 WeakPolarHBondContact CD-O 3.37Å; P441-V470 HydrophobicContact CG-CG2 4.27Å; P441-T495 VanDerWaalsContact C-OG1 3.23Å; P441-T495 VanDerWaalsContact CA-OG1 3.23Å; P441-T495 WeakPolarHBondContact CA-OG1 3.43Å; P441-T495 VanDerWaalsContact CB-OG1 3.26Å; P441-T495 WeakPolarHBondContact CB-OG1 3.47Å; P441-T495 WeakPolarHBondContact O-CB 3.04Å; P441-T495 PolarHBondContact O-N 3.21Å; P441-T495 PolarHBondContact O-OG1 3.24Å
442	D	95.5	Very high	94.8	Very high	122 Å²	122	51.6 Å²	51.6	65%	0.652	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	6.5	-177	-53.9	-64	0	0	0	114.1	H440 P444 T493	H440-D442 PolarHBondContact O-N 3.02Å; H440-D442 VanDerWaalsContact O-N 3.1Å; D442-P444 WeakPolarHBondContact O-CD 3.08Å; D442-T493 HydrophobicContact CB-CG2 4.39Å
443	T	95.7	Very high	94.7	Very high	12 Å²	12	50 Å²	50	7%	0.074	25%	0.253	C	S	.	.			trans	-65.9	125.7	177.7	-57.2	0	0	0	0	110	I439 H440 P441 K447 V494	I439-T443 HydrophobicContact CB-CG2 4.11Å; I439-T443 HydrophobicContact CG2-CG2 4Å; H440-T443 PolarHBondContact N-OG1 3Å; H440-T443 WeakPolarHBondContact O-CB 3.48Å; H440-T443 PolarHBondContact O-N 3.03Å; H440-T443 PolarHBondContact O-OG1 3.25Å; P441-T443 VanDerWaalsContact C-N 3.32Å; P441-T443 PolarHBondContact O-N 2.89Å; T443-K447 HydrophobicContact CG2-CB 3.95Å; T443-K447 HydrophobicContact CG2-CD 4.05Å; T443-K447 HydrophobicContact CG2-CG 4.05Å; T443-V494 WeakPolarHBondContact O-CG2 3.36Å; T443-V494 PolarHBondContact O-N 3.35Å
444	P	94.8	Very high	94.6	Very high	47 Å²	47	54.7 Å²	54.7	31%	0.305	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-61.3	144.8	174.7	-26.7	36.8	0	0	0	112.5	D442 I446 K447 A448 I492	D442-P444 WeakPolarHBondContact O-CD 3.08Å; P444-I446 HydrophobicContact CB-CG2 4.03Å; P444-I446 PolarHBondContact O-N 3.32Å; P444-K447 PolarHBondContact O-N 3.17Å; P444-A448 PolarHBondContact O-N 3.38Å; P444-I492 WeakPolarHBondContact CA-O 3.16Å
445	I	94.2	Very high	94.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-51.2	-45.6	178.3	-67.4	178.5	0	0	0	111.1	K447 A448 L449 L481 L490 I492 V494 A497	I445-K447 VanDerWaalsContact C-N 3.27Å; I445-K447 PolarHBondContact O-N 3.04Å; I445-A448 CarbonylContact O-C 3.29Å; I445-A448 WeakPolarHBondContact O-CA 3.44Å; I445-A448 WeakPolarHBondContact O-CB 3.17Å; I445-A448 PolarHBondContact O-N 3.15Å; I445-L449 HydrophobicContact CG2-CD1 4.21Å; I445-L449 HydrophobicContact CG2-CD2 4.12Å; I445-L449 HydrophobicContact CG2-CG 3.91Å; I445-L449 WeakPolarHBondContact O-CG 3.49Å; I445-L449 PolarHBondContact O-N 3.24Å; I445-L481 HydrophobicContact CD1-CD1 3.98Å; I445-L481 HydrophobicContact CD1-CD2 3.86Å; I445-L481 HydrophobicContact CG2-CD1 4.1Å; I445-L490 HydrophobicContact CB-CB 4.45Å; I445-L490 WeakPolarHBondContact CB-O 3.21Å; I445-L490 HydrophobicContact CG2-CB 4.44Å; I445-L490 HydrophobicContact CG2-CD2 4.22Å; I445-L490 PolarHBondContact N-O 2.87Å; I445-I492 HydrophobicContact CD1-CD1 3.71Å; I445-I492 HydrophobicContact CD1-CG1 3.49Å; I445-I492 VanDerWaalsContact CD1-CG1 3.49Å; I445-I492 HydrophobicContact CG1-CG1 4.05Å; I445-I492 PolarHBondContact N-O 3.13Å; I445-V494 HydrophobicContact CG1-CG2 4.36Å; I445-A497 HydrophobicContact CD1-CB 3.54Å; I445-A497 HydrophobicContact CG1-CB 3.9Å
446	I	93.1	Very high	94.6	Very high	31 Å²	31	54.5 Å²	54.5	16%	0.159	26%	0.258	C	S	.	.	H	α-helix	trans	-54	-42.6	-179	-176.3	59.2	0	0	0	112.2	Y331 P444 A448 L449 N450 L490	Y331-I446 HydrophobicContact CD1-CB 4.26Å; Y331-I446 HydrophobicContact CD1-CD1 3.62Å; Y331-I446 HydrophobicContact CD1-CG1 3.74Å; Y331-I446 HydrophobicContact CE1-CB 4.07Å; Y331-I446 HydrophobicContact CE1-CD1 4.31Å; Y331-I446 HydrophobicContact CE1-CG1 3.98Å; Y331-I446 HydrophobicContact CE1-CG2 4.35Å; Y331-I446 HydrophobicContact CG-CD1 4.29Å; P444-I446 HydrophobicContact CB-CG2 4.03Å; P444-I446 PolarHBondContact O-N 3.32Å; I446-A448 VanDerWaalsContact C-N 3.33Å; I446-A448 PolarHBondContact O-N 3.08Å; I446-L449 WeakPolarHBondContact O-CB 3Å; I446-L449 PolarHBondContact O-N 2.86Å; I446-L449 VanDerWaalsContact O-N 3.12Å; I446-N450 PolarHBondContact O-N 2.76Å; I446-N450 PolarHBondContact O-OD1 3.06Å; I446-L490 HydrophobicContact CB-CB 4Å; I446-L490 HydrophobicContact CD1-CD1 4.46Å; I446-L490 PolarHBondContact N-O 3.31Å
447	K	94.9	Very high	94.5	Very high	127 Å²	127	55.6 Å²	55.6	55%	0.552	26%	0.264	S	S	*	.	H	α-helix	trans	-66.1	-34.8	177.1	-176.3	170.6	171.8	-172.4	0	111.9	T443 P444 I445 I451	T443-K447 HydrophobicContact CG2-CB 3.95Å; T443-K447 HydrophobicContact CG2-CD 4.05Å; T443-K447 HydrophobicContact CG2-CG 4.05Å; P444-K447 PolarHBondContact O-N 3.17Å; I445-K447 VanDerWaalsContact C-N 3.27Å; I445-K447 PolarHBondContact O-N 3.04Å; K447-I451 WeakPolarHBondContact O-CD1 3.44Å; K447-I451 WeakPolarHBondContact O-CG1 3.06Å; K447-I451 PolarHBondContact O-N 2.98Å
448	A	95.7	Very high	94.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.8	-36	171.8	0	0	0	0	0	112.5	I439 P444 I445 I446 I451 F452 L460 Y473 V494	I439-A448 HydrophobicContact CD1-CB 4.14Å; P444-A448 PolarHBondContact O-N 3.38Å; I445-A448 CarbonylContact O-C 3.29Å; I445-A448 WeakPolarHBondContact O-CA 3.44Å; I445-A448 WeakPolarHBondContact O-CB 3.17Å; I445-A448 PolarHBondContact O-N 3.15Å; I446-A448 VanDerWaalsContact C-N 3.33Å; I446-A448 PolarHBondContact O-N 3.08Å; A448-I451 PolarHBondContact O-N 2.92Å; A448-F452 WeakPolarHBondContact O-CD2 3.36Å; A448-F452 WeakPolarHBondContact O-CG 3.49Å; A448-F452 PolarHBondContact O-N 3.1Å; A448-F452 VanDerWaalsContact O-N 3.11Å; A448-L460 HydrophobicContact CB-CD1 3.8Å; A448-Y473 HydrophobicContact CB-CD1 4.01Å; A448-Y473 HydrophobicContact CB-CE1 4.15Å; A448-V494 HydrophobicContact CB-CG2 4.12Å
449	L	94.8	Very high	94.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-41.3	175	-59.5	-166.5	0	0	0	112.2	I324 L327 I445 I446 I451 F452 V453 V478 L490	I324-L449 HydrophobicContact CG1-CD2 4.24Å; I324-L449 HydrophobicContact CG2-CB 4.37Å; I324-L449 HydrophobicContact CG2-CD2 4.25Å; L327-L449 HydrophobicContact CB-CD1 3.85Å; L327-L449 HydrophobicContact CD1-CD1 3.98Å; I445-L449 HydrophobicContact CG2-CD1 4.21Å; I445-L449 HydrophobicContact CG2-CD2 4.12Å; I445-L449 HydrophobicContact CG2-CG 3.91Å; I445-L449 WeakPolarHBondContact O-CG 3.49Å; I445-L449 PolarHBondContact O-N 3.24Å; I446-L449 WeakPolarHBondContact O-CB 3Å; I446-L449 PolarHBondContact O-N 2.86Å; I446-L449 VanDerWaalsContact O-N 3.12Å; L449-I451 VanDerWaalsContact C-N 3.33Å; L449-I451 PolarHBondContact O-N 3.48Å; L449-F452 HydrophobicContact CD2-CD2 4.05Å; L449-F452 WeakPolarHBondContact O-CB 3.49Å; L449-F452 PolarHBondContact O-N 3.04Å; L449-F452 VanDerWaalsContact O-N 3.13Å; L449-V453 WeakPolarHBondContact O-CG2 3.31Å; L449-V453 PolarHBondContact O-N 3Å; L449-V453 VanDerWaalsContact O-N 3.08Å; L449-V478 HydrophobicContact CD2-CG1 3.93Å; L449-V478 HydrophobicContact CD2-CG2 3.88Å; L449-L490 HydrophobicContact CD1-CD1 3.99Å
450	N	95.1	Very high	94.3	Very high	52 Å²	52	51.5 Å²	51.5	28%	0.278	25%	0.247	S	C	.	.	H	α-helix	trans	-54.9	-50.1	174.8	-65.2	15.6	0	0	0	110.8	H328 I446 F452 V453 E454	H328-N450 PolarHBondContact CD2-OD1 2.82Å; H328-N450 PolarHBondContact NE2-OD1 2.72Å; I446-N450 PolarHBondContact O-N 2.76Å; I446-N450 PolarHBondContact O-OD1 3.06Å; N450-F452 VanDerWaalsContact C-N 3.28Å; N450-F452 PolarHBondContact O-N 2.97Å; N450-V453 PolarHBondContact O-N 3.23Å; N450-E454 WeakPolarHBondContact O-CB 3.24Å; N450-E454 WeakPolarHBondContact O-CG 3.49Å; N450-E454 PolarHBondContact O-N 3.22Å
451	I	95.8	Very high	94.3	Very high	25 Å²	25	47.7 Å²	47.7	13%	0.128	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-32.9	179.9	-53.4	160.4	0	0	0	111.6	A437 I439 K447 A448 L449 V453 R455 I457 L460	A437-I451 HydrophobicContact CB-CG2 3.94Å; I439-I451 HydrophobicContact CG2-CD1 3.9Å; K447-I451 WeakPolarHBondContact O-CD1 3.44Å; K447-I451 WeakPolarHBondContact O-CG1 3.06Å; K447-I451 PolarHBondContact O-N 2.98Å; A448-I451 PolarHBondContact O-N 2.92Å; L449-I451 VanDerWaalsContact C-N 3.33Å; L449-I451 PolarHBondContact O-N 3.48Å; I451-V453 VanDerWaalsContact C-N 3.34Å; I451-V453 PolarHBondContact O-N 2.96Å; I451-R455 HydrophobicContact CG2-CB 4.49Å; I451-R455 HydrophobicContact CG2-CG 4.13Å; I451-R455 WeakPolarHBondContact O-CB 3.3Å; I451-R455 PolarHBondContact O-N 3.1Å; I451-I457 HydrophobicContact CG2-CD1 4.34Å; I451-L460 HydrophobicContact CB-CD1 4.3Å; I451-L460 HydrophobicContact CB-CD2 4.29Å; I451-L460 HydrophobicContact CG2-CD2 3.72Å
452	F	95	Very high	94.4	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-67	-27.8	173	-78.5	-29.2	0	0	0	114.8	I324 A448 L449 N450 R456 I457 L460 Y473 K475 V478	I324-F452 HydrophobicContact CD1-CD2 4.13Å; I324-F452 HydrophobicContact CG2-CB 4.11Å; A448-F452 WeakPolarHBondContact O-CD2 3.36Å; A448-F452 WeakPolarHBondContact O-CG 3.49Å; A448-F452 PolarHBondContact O-N 3.1Å; A448-F452 VanDerWaalsContact O-N 3.11Å; L449-F452 HydrophobicContact CD2-CD2 4.05Å; L449-F452 WeakPolarHBondContact O-CB 3.49Å; L449-F452 PolarHBondContact O-N 3.04Å; L449-F452 VanDerWaalsContact O-N 3.13Å; N450-F452 VanDerWaalsContact C-N 3.28Å; N450-F452 PolarHBondContact O-N 2.97Å; F452-R456 WeakPolarHBondContact O-CA 3.37Å; F452-I457 HydrophobicContact CD1-CG1 4.19Å; F452-L460 HydrophobicContact CD1-CD1 4.15Å; F452-L460 HydrophobicContact CD1-CG 4.3Å; F452-L460 HydrophobicContact CE1-CD1 3.78Å; F452-L460 HydrophobicContact CE1-CG 3.74Å; F452-L460 HydrophobicContact CZ-CD1 3.98Å; F452-L460 HydrophobicContact CZ-CG 4.26Å; F452-Y473 AromaticContact CE2-CD1 3.8Å; F452-Y473 HydrophobicContact CE2-CD1 3.8Å; F452-Y473 AromaticContact CE2-CE1 3.84Å; F452-Y473 HydrophobicContact CE2-CE1 3.84Å; F452-Y473 AromaticContact CZ-CD1 3.93Å; F452-Y473 HydrophobicContact CZ-CD1 3.93Å; F452-Y473 HydrophobicContact CZ-CE1 4.43Å; F452-K475 HydrophobicContact CD1-CG 4.06Å; F452-K475 HydrophobicContact CD2-CG 4.13Å; F452-K475 HydrophobicContact CE1-CG 4.17Å; F452-K475 HydrophobicContact CE2-CG 4.22Å; F452-K475 HydrophobicContact CG-CG 4.07Å; F452-K475 HydrophobicContact CZ-CG 4.25Å; F452-K475 PolarHBondContact O-NZ 2.88Å; F452-V478 HydrophobicContact CD2-CG2 4.46Å; F452-V478 HydrophobicContact CE2-CG2 4.01Å
453	V	92.5	Very high	94.4	Very high	38 Å²	38	40.5 Å²	40.5	23%	0.23	19%	0.189	C	C	.	.	H	α-helix	trans	-84.3	-51.4	176.4	175.3	0	0	0	0	109.9	I324 H328 L449 N450 I451 R456	I324-V453 HydrophobicContact CG2-CG2 3.9Å; H328-V453 HydrophobicContact CB-CG2 3.98Å; L449-V453 WeakPolarHBondContact O-CG2 3.31Å; L449-V453 PolarHBondContact O-N 3Å; L449-V453 VanDerWaalsContact O-N 3.08Å; N450-V453 PolarHBondContact O-N 3.23Å; I451-V453 VanDerWaalsContact C-N 3.34Å; I451-V453 PolarHBondContact O-N 2.96Å; V453-R456 WeakPolarHBondContact O-CG 3.46Å
454	E	93	Very high	94.3	Very high	132 Å²	132	42.1 Å²	42.1	62%	0.617	20%	0.198	S	C	*	.	H	α-helix	trans	-58.4	-60.7	179.9	-70.5	168.1	-165.2	0	0	112.2	N450 R456	N450-E454 WeakPolarHBondContact O-CB 3.24Å; N450-E454 WeakPolarHBondContact O-CG 3.49Å; N450-E454 PolarHBondContact O-N 3.22Å; E454-R456 VanDerWaalsContact C-N 3.32Å; E454-R456 PolarHBondContact O-N 3.05Å
455	R	92.7	Very high	94.3	Very high	130 Å²	130	49.6 Å²	49.6	49%	0.491	23%	0.228	S	C	.	.	S	Bend	trans	-86	-5.4	-174	-59	-171.6	-177.8	-151.9	4	113.1	N435 I451 I457	N435-R455 PolarHBondContact O-NH1 3.47Å; I451-R455 HydrophobicContact CG2-CB 4.49Å; I451-R455 HydrophobicContact CG2-CG 4.13Å; I451-R455 WeakPolarHBondContact O-CB 3.3Å; I451-R455 PolarHBondContact O-N 3.1Å; R455-I457 HydrophobicContact CB-CD1 4.24Å; R455-I457 HydrophobicContact CB-CG1 4.24Å; R455-I457 HydrophobicContact CB-CG2 4.28Å; R455-I457 PolarHBondContact O-N 2.85Å
456	R	91.6	Very high	94.2	Very high	169 Å²	169	53.1 Å²	53.1	64%	0.638	25%	0.253	S	S	*	.			trans	56.3	2.3	179.9	-62.3	-174.5	172.9	176.6	-0.3	116.8	F452 V453 E454 K475	F452-R456 WeakPolarHBondContact O-CA 3.37Å; V453-R456 WeakPolarHBondContact O-CG 3.46Å; E454-R456 VanDerWaalsContact C-N 3.32Å; E454-R456 PolarHBondContact O-N 3.05Å; R456-K475 PolarHBondContact O-NZ 2.71Å
457	I	93.1	Very high	94	Very high	57 Å²	57	53 Å²	53	29%	0.292	26%	0.259	S	S	.	.			trans	-58.1	169.9	175.5	60.7	-176.2	0	0	0	113.6	A437 I451 F452 R455 L460 K475	A437-I457 HydrophobicContact CB-CD1 3.55Å; I451-I457 HydrophobicContact CG2-CD1 4.34Å; F452-I457 HydrophobicContact CD1-CG1 4.19Å; R455-I457 HydrophobicContact CB-CD1 4.24Å; R455-I457 HydrophobicContact CB-CG1 4.24Å; R455-I457 HydrophobicContact CB-CG2 4.28Å; R455-I457 PolarHBondContact O-N 2.85Å; I457-L460 HydrophobicContact CD1-CD2 3.69Å; I457-L460 HydrophobicContact CD1-CG 4.32Å; I457-K475 WeakPolarHBondContact O-CD 3.38Å; I457-K475 WeakPolarHBondContact O-CE 3.47Å; I457-K475 PolarHBondContact O-NZ 3.09Å
458	S	92.3	Very high	94	Very high	23 Å²	23	51 Å²	51	16%	0.161	25%	0.25	C	S	.	.	S	Bend	trans	-118.3	-1.7	-172.3	53.6	0	0	0	0	116	K475 R531	S458-K475 PolarHBondContact O-N 3.39Å; S458-R531 PolarHBondContact O-NH2 3.33Å; S458-R531 PolarHBondContact OG-NH1 3.1Å
459	A	94.8	Very high	93.9	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.017	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	165.2	160.8	0	0	0	0	0	110.4	I472 Y473 R531	A459-I472 HydrophobicContact CB-CD1 3.93Å; A459-I472 HydrophobicContact CB-CG1 3.79Å; A459-Y473 CarbonylContact C-O 3.6Å; A459-Y473 VanDerWaalsContact CA-O 3.24Å; A459-Y473 WeakPolarHBondContact CA-O 3.16Å; A459-Y473 WeakPolarHBondContact CB-O 3.32Å; A459-R531 VanDerWaalsContact CB-NE 3.3Å
460	L	95.9	Very high	93.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.9	173.6	-68.4	158.3	0	0	0	106.9	A437 I439 A448 I451 F452 I457 I472 Y473	A437-L460 HydrophobicContact CB-CD2 3.62Å; I439-L460 HydrophobicContact CD1-CB 3.99Å; I439-L460 HydrophobicContact CD1-CD1 4.26Å; I439-L460 HydrophobicContact CG1-CB 4Å; I439-L460 HydrophobicContact CG2-CB 4.41Å; I439-L460 HydrophobicContact CG2-CD1 3.99Å; I439-L460 HydrophobicContact CG2-CD2 4.44Å; A448-L460 HydrophobicContact CB-CD1 3.8Å; I451-L460 HydrophobicContact CB-CD1 4.3Å; I451-L460 HydrophobicContact CB-CD2 4.29Å; I451-L460 HydrophobicContact CG2-CD2 3.72Å; F452-L460 HydrophobicContact CD1-CD1 4.15Å; F452-L460 HydrophobicContact CD1-CG 4.3Å; F452-L460 HydrophobicContact CE1-CD1 3.78Å; F452-L460 HydrophobicContact CE1-CG 3.74Å; F452-L460 HydrophobicContact CZ-CD1 3.98Å; F452-L460 HydrophobicContact CZ-CG 4.26Å; I457-L460 HydrophobicContact CD1-CD2 3.69Å; I457-L460 HydrophobicContact CD1-CG 4.32Å; L460-I472 CarbonylContact O-C 3.55Å; L460-Y473 PolarHBondContact N-O 3.49Å; L460-Y473 PolarHBondContact O-N 3.08Å
461	P	95.7	Very high	93.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	138.1	165.9	-25.5	38.4	0	0	0	110	A437 F438 I439 V533 I541 I544	A437-P461 WeakPolarHBondContact O-CD 3.42Å; F438-P461 VanDerWaalsContact CA-O 3.31Å; F438-P461 WeakPolarHBondContact CA-O 3.31Å; F438-P461 WeakPolarHBondContact CB-O 3.49Å; I439-P461 PolarHBondContact N-O 2.86Å; P461-V533 HydrophobicContact CB-CG1 4.44Å; P461-V533 HydrophobicContact CB-CG2 4.36Å; P461-V533 HydrophobicContact CG-CG1 4.22Å; P461-V533 HydrophobicContact CG-CG2 3.97Å; P461-I541 HydrophobicContact CB-CD1 3.74Å; P461-I541 HydrophobicContact CG-CD1 3.69Å; P461-I544 HydrophobicContact CG-CD1 3.7Å; P461-I544 HydrophobicContact CG-CG1 4.19Å
462	V	95.8	Very high	93.6	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123	171.9	-171.2	0	0	0	0	107	I439 P441 V470 D471 V494 L498	I439-V462 HydrophobicContact CD1-CG2 4.18Å; I439-V462 HydrophobicContact CG1-CG2 4.09Å; I439-V462 CarbonylContact O-C 3.56Å; I439-V462 VanDerWaalsContact O-CA 3.29Å; I439-V462 WeakPolarHBondContact O-CA 3.44Å; P441-V462 HydrophobicContact CG-CG1 4Å; V462-V470 HydrophobicContact CB-CG2 4.19Å; V462-V470 HydrophobicContact CG1-CG2 3.91Å; V462-V470 WeakPolarHBondContact O-CG2 3.4Å; V462-V470 PolarHBondContact O-N 3.48Å; V462-D471 HydrophobicContact CB-CB 3.96Å; V462-D471 HydrophobicContact CG2-CB 4Å; V462-D471 PolarHBondContact N-O 2.93Å; V462-D471 PolarHBondContact O-N 3Å; V462-V494 HydrophobicContact CG2-CG1 3.99Å; V462-L498 HydrophobicContact CG2-CD1 4.3Å
463	V	95.5	Very high	93.6	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141	-178.6	-56.6	0	0	0	0	112	F438 I439 H440 P441 K468 V469 I541	F438-V463 HydrophobicContact CB-CG1 4.26Å; F438-V463 HydrophobicContact CB-CG2 4.19Å; F438-V463 HydrophobicContact CD2-CG2 3.34Å; F438-V463 HydrophobicContact CE2-CG2 3.86Å; F438-V463 HydrophobicContact CG-CG2 3.9Å; I439-V463 PolarHBondContact O-N 3.09Å; H440-V463 PolarHBondContact ND1-O 2.85Å; P441-V463 VanDerWaalsContact CD-O 3.3Å; P441-V463 WeakPolarHBondContact CD-O 3.37Å; V463-K468 CarbonylContact C-O 3.58Å; V463-K468 WeakPolarHBondContact CA-O 3.39Å; V463-K468 WeakPolarHBondContact CB-O 3.45Å; V463-V469 HydrophobicContact CG1-CG2 4.24Å; V463-I541 HydrophobicContact CG1-CB 4.33Å; V463-I541 HydrophobicContact CG1-CG2 4.09Å
464	D	94.6	Very high	93.6	Very high	47 Å²	47	52.4 Å²	52.4	25%	0.251	26%	0.261	S	S	.	.			trans	-73.3	178.6	173.8	68.6	22.7	0	0	0	112.5	S466 G467 K468 V470	D464-S466 VanDerWaalsContact CG-OG 3.3Å; D464-S466 PolarHBondContact O-N 2.78Å; D464-S466 VanDerWaalsContact OD1-C 3.28Å; D464-S466 VanDerWaalsContact OD1-CA 3.24Å; D464-S466 WeakPolarHBondContact OD1-CA 3.45Å; D464-S466 WeakPolarHBondContact OD1-CB 3.34Å; D464-S466 PolarHBondContact OD1-N 2.64Å; D464-S466 PolarHBondContact OD1-OG 3.11Å; D464-S466 PolarHBondContact OD2-OG 3.5Å; D464-G467 PolarHBondContact O-N 3.13Å; D464-G467 PolarHBondContact OD1-N 3.28Å; D464-K468 PolarHBondContact N-O 3.36Å; D464-K468 PolarHBondContact OD1-N 3.02Å; D464-V470 HydrophobicContact CB-CG1 4.11Å
465	E	93.4	Very high	93.6	Very high	204 Å²	204	47 Å²	47	95%	0.953	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.5	178	-58.7	-174.4	146.6	0	0	113.2	G467	E465-G467 VanDerWaalsContact C-N 3.31Å
466	S	92	Very high	93.4	Very high	74 Å²	74	44.6 Å²	44.6	52%	0.517	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	2.9	172.5	79.3	0	0	0	0	113.4	D464 K468	D464-S466 VanDerWaalsContact CG-OG 3.3Å; D464-S466 PolarHBondContact O-N 2.78Å; D464-S466 VanDerWaalsContact OD1-C 3.28Å; D464-S466 VanDerWaalsContact OD1-CA 3.24Å; D464-S466 WeakPolarHBondContact OD1-CA 3.45Å; D464-S466 WeakPolarHBondContact OD1-CB 3.34Å; D464-S466 PolarHBondContact OD1-N 2.64Å; D464-S466 PolarHBondContact OD1-OG 3.11Å; D464-S466 PolarHBondContact OD2-OG 3.5Å; S466-K468 VanDerWaalsContact C-N 3.32Å; S466-K468 WeakPolarHBondContact OG-CG 3.33Å
467	G	90.8	Very high	93.3	Very high	27 Å²	27	37.1 Å²	37.1	28%	0.278	20%	0.201	S	C	.	.			trans	78.4	9.7	179.6	0	0	0	0	0	114.7	D464 E465 S540 I541	D464-G467 PolarHBondContact O-N 3.13Å; D464-G467 PolarHBondContact OD1-N 3.28Å; E465-G467 VanDerWaalsContact C-N 3.31Å; G467-S540 WeakPolarHBondContact O-CA 3.38Å; G467-I541 PolarHBondContact O-N 3.49Å
468	K	94.1	Very high	93.2	Very high	85 Å²	85	34.4 Å²	34.4	37%	0.37	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-83.5	144.4	-178.8	-63.5	-178.5	-173.6	-157	0	112.2	V463 D464 S466 V470 A538 D539	V463-K468 CarbonylContact C-O 3.58Å; V463-K468 WeakPolarHBondContact CA-O 3.39Å; V463-K468 WeakPolarHBondContact CB-O 3.45Å; D464-K468 PolarHBondContact N-O 3.36Å; D464-K468 PolarHBondContact OD1-N 3.02Å; S466-K468 VanDerWaalsContact C-N 3.32Å; S466-K468 WeakPolarHBondContact OG-CG 3.33Å; K468-V470 PolarHBondContact O-N 3.37Å; K468-A538 WeakPolarHBondContact CD-O 3.17Å; K468-A538 WeakPolarHBondContact CE-O 3.26Å; K468-A538 PolarHBondContact NZ-O 2.79Å; K468-D539 WeakPolarHBondContact CA-O 3.04Å; K468-D539 HydrophobicContact CD-CB 4.44Å; K468-D539 HydrophobicContact CG-CB 4.48Å
469	V	94.2	Very high	93	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.03	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	110.1	-178	-177.1	0	0	0	0	110.3	V463 V508 K510 V533 V535 D539 I541	V463-V469 HydrophobicContact CG1-CG2 4.24Å; V469-V508 HydrophobicContact CG1-CB 4.29Å; V469-V508 HydrophobicContact CG1-CG1 3.99Å; V469-V508 HydrophobicContact CG1-CG2 4.19Å; V469-K510 WeakPolarHBondContact O-CE 3.39Å; V469-K510 PolarHBondContact O-NZ 2.97Å; V469-V533 HydrophobicContact CG1-CB 4.47Å; V469-V533 HydrophobicContact CG1-CG1 4.25Å; V469-V533 HydrophobicContact CG1-CG2 4.44Å; V469-V533 HydrophobicContact CG2-CG1 3.84Å; V469-V535 HydrophobicContact CB-CG1 4.41Å; V469-V535 HydrophobicContact CG2-CG1 3.84Å; V469-D539 PolarHBondContact N-O 2.92Å; V469-D539 VanDerWaalsContact N-O 3.08Å; V469-I541 HydrophobicContact CG2-CB 3.78Å; V469-I541 HydrophobicContact CG2-CG1 4.36Å
470	V	92.5	Very high	92.5	Very high	68 Å²	68	35.6 Å²	35.6	41%	0.412	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-39	-178.6	-64.9	0	0	0	0	113.2	P441 V462 D464 K468	P441-V470 HydrophobicContact CG-CG2 4.27Å; V462-V470 HydrophobicContact CB-CG2 4.19Å; V462-V470 HydrophobicContact CG1-CG2 3.91Å; V462-V470 WeakPolarHBondContact O-CG2 3.4Å; V462-V470 PolarHBondContact O-N 3.48Å; D464-V470 HydrophobicContact CB-CG1 4.11Å; K468-V470 PolarHBondContact O-N 3.37Å
471	D	93.2	Very high	92.1	Very high	27 Å²	27	35.9 Å²	35.9	14%	0.144	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	-171.3	175.9	-150.5	-39.9	0	0	0	110.4	V462 L498 R501 F505 V508	V462-D471 HydrophobicContact CB-CB 3.96Å; V462-D471 HydrophobicContact CG2-CB 4Å; V462-D471 PolarHBondContact N-O 2.93Å; V462-D471 PolarHBondContact O-N 3Å; D471-L498 HydrophobicContact CB-CD1 4.15Å; D471-R501 IonicContact OD1-CZ 2.68Å; D471-R501 IonicContact OD1-NH1 3.78Å; D471-R501 PolarHBondContact OD1-NH1 3.04Å; D471-R501 IonicContact OD2-NH1 3.88Å; D471-F505 WeakPolarHBondContact OD1-CZ 3.32Å; D471-V508 VanDerWaalsContact C-CG2 3.4Å
472	I	93.7	Very high	91.4	Very high	26 Å²	26	36 Å²	36	13%	0.133	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	109.4	179.3	-179.7	164.4	0	0	0	109.4	A459 L460 R501 V508 R531 V533	A459-I472 HydrophobicContact CB-CD1 3.93Å; A459-I472 HydrophobicContact CB-CG1 3.79Å; L460-I472 CarbonylContact O-C 3.55Å; I472-R501 PolarHBondContact O-NH2 3.33Å; I472-V508 HydrophobicContact CB-CG1 4.36Å; I472-V508 HydrophobicContact CB-CG2 4.37Å; I472-V508 HydrophobicContact CG2-CG1 4.18Å; I472-V508 HydrophobicContact CG2-CG2 4.07Å; I472-R531 HydrophobicContact CD1-CG 3.97Å; I472-V533 HydrophobicContact CD1-CG2 4.12Å
473	Y	94.5	Very high	90.7	Very high	1 Å²	1	38 Å²	38	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.5	174.5	-169.3	-112.4	0	0	0	109.9	A448 F452 A459 L460 D477 V478 V494 A497 L498	A448-Y473 HydrophobicContact CB-CD1 4.01Å; A448-Y473 HydrophobicContact CB-CE1 4.15Å; F452-Y473 AromaticContact CE2-CD1 3.8Å; F452-Y473 HydrophobicContact CE2-CD1 3.8Å; F452-Y473 AromaticContact CE2-CE1 3.84Å; F452-Y473 HydrophobicContact CE2-CE1 3.84Å; F452-Y473 AromaticContact CZ-CD1 3.93Å; F452-Y473 HydrophobicContact CZ-CD1 3.93Å; F452-Y473 HydrophobicContact CZ-CE1 4.43Å; A459-Y473 CarbonylContact C-O 3.6Å; A459-Y473 VanDerWaalsContact CA-O 3.24Å; A459-Y473 WeakPolarHBondContact CA-O 3.16Å; A459-Y473 WeakPolarHBondContact CB-O 3.32Å; L460-Y473 PolarHBondContact N-O 3.49Å; L460-Y473 PolarHBondContact O-N 3.08Å; Y473-D477 HydrophobicContact CD2-CB 4.14Å; Y473-D477 HydrophobicContact CE2-CB 3.9Å; Y473-V478 HydrophobicContact CE1-CG2 3.95Å; Y473-V494 HydrophobicContact CD1-CG2 4.14Å; Y473-V494 HydrophobicContact CD2-CG1 3.77Å; Y473-V494 HydrophobicContact CD2-CG2 4.29Å; Y473-V494 HydrophobicContact CE1-CG2 4.33Å; Y473-V494 HydrophobicContact CE2-CG2 4.49Å; Y473-V494 HydrophobicContact CG-CG1 3.79Å; Y473-V494 HydrophobicContact CG-CG2 4.12Å; Y473-A497 HydrophobicContact CE2-CB 4.06Å; Y473-L498 HydrophobicContact CD2-CD1 4.36Å; Y473-L498 HydrophobicContact CD2-CD2 3.86Å; Y473-L498 HydrophobicContact CD2-CG 4.02Å
474	S	93.2	Very high	90	Very high	20 Å²	20	41.7 Å²	41.7	14%	0.14	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	162.1	-173.9	84.1	0	0	0	0	113.6	F476 D477	S474-F476 PolarHBondContact O-N 3.44Å; S474-F476 WeakPolarHBondContact OG-CB 3.33Å; S474-F476 PolarHBondContact OG-N 3.11Å; S474-F476 VanDerWaalsContact OG-N 3.11Å; S474-D477 WeakPolarHBondContact CA-OD2 3.34Å; S474-D477 WeakPolarHBondContact CB-OD2 3.5Å; S474-D477 PolarHBondContact N-OD2 3.03Å; S474-D477 PolarHBondContact O-N 3.13Å; S474-D477 PolarHBondContact OG-OD2 3.29Å
475	K	92.1	Very high	89.4	Confident	19 Å²	19	45.7 Å²	45.7	8%	0.083	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-10.3	169.6	-70.5	-165.1	163.2	159.4	0	113.6	I320 I324 F452 R456 I457 S458	I320-K475 WeakPolarHBondContact CG2-O 3.21Å; I324-K475 HydrophobicContact CD1-CB 3.89Å; I324-K475 HydrophobicContact CD1-CD 3.73Å; I324-K475 HydrophobicContact CD1-CG 3.48Å; I324-K475 VanDerWaalsContact CD1-CG 3.48Å; F452-K475 HydrophobicContact CD1-CG 4.06Å; F452-K475 HydrophobicContact CD2-CG 4.13Å; F452-K475 HydrophobicContact CE1-CG 4.17Å; F452-K475 HydrophobicContact CE2-CG 4.22Å; F452-K475 HydrophobicContact CG-CG 4.07Å; F452-K475 HydrophobicContact CZ-CG 4.25Å; F452-K475 PolarHBondContact O-NZ 2.88Å; R456-K475 PolarHBondContact O-NZ 2.71Å; I457-K475 WeakPolarHBondContact O-CD 3.38Å; I457-K475 WeakPolarHBondContact O-CE 3.47Å; I457-K475 PolarHBondContact O-NZ 3.09Å; S458-K475 PolarHBondContact O-N 3.39Å
476	F	88.3	Confident	88.9	Confident	78 Å²	78	38.5 Å²	38.5	34%	0.342	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-42.8	170.4	175.8	-119.8	0	0	0	111.4	R302 I320 S474 V478 I479	R302-F476 HydrophobicContact CG-CD2 4.02Å; R302-F476 HydrophobicContact CG-CE2 4.08Å; I320-F476 HydrophobicContact CD1-CD2 4.12Å; S474-F476 PolarHBondContact O-N 3.44Å; S474-F476 WeakPolarHBondContact OG-CB 3.33Å; S474-F476 PolarHBondContact OG-N 3.11Å; S474-F476 VanDerWaalsContact OG-N 3.11Å; F476-V478 PolarHBondContact O-N 3.46Å; F476-I479 HydrophobicContact CD2-CG2 4.27Å; F476-I479 HydrophobicContact CE2-CG2 4.18Å; F476-I479 VanDerWaalsContact O-CG2 3.24Å; F476-I479 WeakPolarHBondContact O-CG2 3.47Å; F476-I479 PolarHBondContact O-N 3.09Å; F476-I479 VanDerWaalsContact O-N 3.08Å
477	D	90.2	Very high	88.5	Confident	12 Å²	12	35.3 Å²	35.3	6%	0.064	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-63.3	-30.3	-175.7	-51.6	-81	0	0	0	112.4	Y473 S474 I479 N480 R501	Y473-D477 HydrophobicContact CD2-CB 4.14Å; Y473-D477 HydrophobicContact CE2-CB 3.9Å; S474-D477 WeakPolarHBondContact CA-OD2 3.34Å; S474-D477 WeakPolarHBondContact CB-OD2 3.5Å; S474-D477 PolarHBondContact N-OD2 3.03Å; S474-D477 PolarHBondContact O-N 3.13Å; S474-D477 PolarHBondContact OG-OD2 3.29Å; D477-I479 PolarHBondContact O-N 3.45Å; D477-I479 VanDerWaalsContact O-N 3.15Å; D477-N480 WeakPolarHBondContact O-CB 3.34Å; D477-N480 PolarHBondContact O-N 3.41Å; D477-R501 VanDerWaalsContact CG-NH2 3.25Å; D477-R501 IonicContact OD1-CZ 3.76Å; D477-R501 VanDerWaalsContact OD1-CZ 3.26Å; D477-R501 IonicContact OD1-NE 2.75Å; D477-R501 PolarHBondContact OD1-NE 3.46Å; D477-R501 IonicContact OD1-NH2 2.9Å; D477-R501 PolarHBondContact OD1-NH2 3.41Å; D477-R501 IonicContact OD2-NH2 3.98Å; D477-R501 PolarHBondContact OD2-NH2 3.41Å; D477-R501 VanDerWaalsContact OD2-NH2 3.12Å
478	V	91.3	Very high	88.2	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-57.4	-28.3	175.4	-167.9	0	0	0	0	112.6	F323 I324 L327 L449 F452 Y473 F476 N480 L481	F323-V478 HydrophobicContact CD1-CG1 4.12Å; F323-V478 HydrophobicContact CE1-CG1 4.26Å; F323-V478 WeakPolarHBondContact CE1-O 3.18Å; I324-V478 HydrophobicContact CD1-CB 4.38Å; I324-V478 HydrophobicContact CD1-CG2 4.03Å; I324-V478 HydrophobicContact CG1-CB 4.2Å; I324-V478 HydrophobicContact CG1-CG1 3.86Å; I324-V478 HydrophobicContact CG1-CG2 4.15Å; L327-V478 HydrophobicContact CD1-CG1 4.25Å; L449-V478 HydrophobicContact CD2-CG1 3.93Å; L449-V478 HydrophobicContact CD2-CG2 3.88Å; F452-V478 HydrophobicContact CD2-CG2 4.46Å; F452-V478 HydrophobicContact CE2-CG2 4.01Å; Y473-V478 HydrophobicContact CE1-CG2 3.95Å; F476-V478 PolarHBondContact O-N 3.46Å; V478-N480 PolarHBondContact O-N 2.94Å; V478-L481 HydrophobicContact CG1-CD1 4.07Å; V478-L481 WeakPolarHBondContact O-CB 3.32Å; V478-L481 PolarHBondContact O-N 3.36Å
479	I	87.3	Confident	87.8	Confident	12 Å²	12	34.9 Å²	34.9	6%	0.062	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-71.1	-18	179.9	-151.9	63.5	0	0	0	112.9	F293 V297 I320 F323 F476 D477 L481 A482 A483	F293-I479 HydrophobicContact CD1-CD1 4.09Å; V297-I479 HydrophobicContact CG2-CG1 3.74Å; I320-I479 HydrophobicContact CD1-CB 4.13Å; I320-I479 HydrophobicContact CD1-CG2 4.4Å; I320-I479 HydrophobicContact CG1-CB 4.36Å; I320-I479 HydrophobicContact CG1-CD1 4.24Å; I320-I479 HydrophobicContact CG1-CG1 4.4Å; I320-I479 HydrophobicContact CG2-CB 4.06Å; I320-I479 HydrophobicContact CG2-CD1 4.05Å; F323-I479 HydrophobicContact CD1-CD1 4.08Å; F323-I479 HydrophobicContact CG-CD1 4.44Å; F476-I479 HydrophobicContact CD2-CG2 4.27Å; F476-I479 HydrophobicContact CE2-CG2 4.18Å; F476-I479 VanDerWaalsContact O-CG2 3.24Å; F476-I479 WeakPolarHBondContact O-CG2 3.47Å; F476-I479 PolarHBondContact O-N 3.09Å; F476-I479 VanDerWaalsContact O-N 3.08Å; D477-I479 PolarHBondContact O-N 3.45Å; D477-I479 VanDerWaalsContact O-N 3.15Å; I479-L481 PolarHBondContact O-N 2.99Å; I479-A482 HydrophobicContact CD1-CB 4.14Å; I479-A482 VanDerWaalsContact O-CB 3.3Å; I479-A482 WeakPolarHBondContact O-CB 3.49Å; I479-A482 PolarHBondContact O-N 3.12Å; I479-A483 PolarHBondContact O-N 2.87Å; I479-A483 VanDerWaalsContact O-N 3.17Å
480	N	85	Confident	87.6	Confident	38 Å²	38	34.6 Å²	34.6	20%	0.203	18%	0.183	C	C	.	.	H	α-helix	trans	-65.6	-31.6	175.9	-63	5	0	0	0	110.7	D477 V478 A482 A483 E484	D477-N480 WeakPolarHBondContact O-CB 3.34Å; D477-N480 PolarHBondContact O-N 3.41Å; V478-N480 PolarHBondContact O-N 2.94Å; N480-A482 PolarHBondContact O-N 3.34Å; N480-A483 WeakPolarHBondContact O-CA 3.49Å; N480-A483 WeakPolarHBondContact O-CB 3.4Å; N480-A483 PolarHBondContact O-N 2.93Å; N480-E484 PolarHBondContact O-N 3.44Å
481	L	86	Confident	87.5	Confident	7 Å²	7	35.2 Å²	35.2	4%	0.037	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-30.7	172.4	-53.7	175.1	0	0	0	112.6	I445 V478 I479 K485 T486 Y487 L490	I445-L481 HydrophobicContact CD1-CD1 3.98Å; I445-L481 HydrophobicContact CD1-CD2 3.86Å; I445-L481 HydrophobicContact CG2-CD1 4.1Å; V478-L481 HydrophobicContact CG1-CD1 4.07Å; V478-L481 WeakPolarHBondContact O-CB 3.32Å; V478-L481 PolarHBondContact O-N 3.36Å; I479-L481 PolarHBondContact O-N 2.99Å; L481-K485 WeakPolarHBondContact O-CA 3.32Å; L481-K485 PolarHBondContact O-N 3.21Å; L481-T486 WeakPolarHBondContact CA-OG1 3.45Å; L481-T486 PolarHBondContact O-N 2.95Å; L481-Y487 WeakPolarHBondContact O-CD1 3.44Å; L481-Y487 PolarHBondContact O-N 2.96Å; L481-L490 HydrophobicContact CD1-CD2 3.89Å
482	A	82.3	Confident	87.4	Confident	3 Å²	3	35.7 Å²	35.7	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-74.8	-39.8	172.3	0	0	0	0	0	111.7	F293 F294 V297 F323 I479 N480	F293-A482 HydrophobicContact CB-CB 4.32Å; F294-A482 WeakPolarHBondContact CD1-O 3.48Å; F294-A482 WeakPolarHBondContact CE1-O 3.15Å; V297-A482 HydrophobicContact CG2-CB 4.41Å; F323-A482 HydrophobicContact CE1-CB 3.89Å; F323-A482 HydrophobicContact CE2-CB 4.29Å; F323-A482 HydrophobicContact CZ-CB 3.68Å; I479-A482 HydrophobicContact CD1-CB 4.14Å; I479-A482 VanDerWaalsContact O-CB 3.3Å; I479-A482 WeakPolarHBondContact O-CB 3.49Å; I479-A482 PolarHBondContact O-N 3.12Å; N480-A482 PolarHBondContact O-N 3.34Å
483	A	80.9	Confident	87.4	Confident	43 Å²	43	35.7 Å²	35.7	36%	0.355	19%	0.187	S	C	.	.	H	α-helix	trans	-59.4	-48.9	177.7	0	0	0	0	0	111.8	V297 I479 N480	V297-A483 HydrophobicContact CB-CB 4.5Å; V297-A483 HydrophobicContact CG1-CB 3.54Å; V297-A483 HydrophobicContact CG2-CB 4.2Å; I479-A483 PolarHBondContact O-N 2.87Å; I479-A483 VanDerWaalsContact O-N 3.17Å; N480-A483 WeakPolarHBondContact O-CA 3.49Å; N480-A483 WeakPolarHBondContact O-CB 3.4Å; N480-A483 PolarHBondContact O-N 2.93Å
484	E	81.3	Confident	87.3	Confident	80 Å²	80	35.6 Å²	35.6	37%	0.374	19%	0.187	S	C	.	.	H	α-helix	trans	-88.5	-8.8	-173.1	-60	179.1	150.3	0	0	113.7	N480 T486 H500	N480-E484 PolarHBondContact O-N 3.44Å; E484-T486 HydrophobicContact CB-CG2 3.88Å; E484-T486 PolarHBondContact O-N 3.39Å; E484-H500 IonicContact OE1-CE1 2.63Å; E484-H500 IonicContact OE1-CG 2.82Å; E484-H500 IonicContact OE1-ND1 3.75Å; E484-H500 PolarHBondContact OE1-ND1 3.36Å; E484-H500 IonicContact OE2-CE1 2.62Å; E484-H500 PolarHBondContact OE2-CE1 3.15Å; E484-H500 IonicContact OE2-CG 2.86Å; E484-H500 IonicContact OE2-ND1 3.23Å; E484-H500 PolarHBondContact OE2-ND1 2.86Å
485	K	81.7	Confident	87.2	Confident	131 Å²	131	37.4 Å²	37.4	57%	0.57	20%	0.197	S	C	*	.	S	Bend	trans	66	17.3	-175.8	-42.4	173.9	-171.9	158.2	0	113.2	F294 L481 Y487	F294-K485 HydrophobicContact CE1-CD 4.37Å; F294-K485 HydrophobicContact CE1-CG 3.81Å; F294-K485 HydrophobicContact CZ-CD 4.13Å; F294-K485 HydrophobicContact CZ-CG 3.8Å; L481-K485 WeakPolarHBondContact O-CA 3.32Å; L481-K485 PolarHBondContact O-N 3.21Å; K485-Y487 VanDerWaalsContact C-N 3.26Å; K485-Y487 HydrophobicContact CB-CE1 4.38Å; K485-Y487 PolarHBondContact O-N 3.49Å
486	T	83.4	Confident	87.1	Confident	52 Å²	52	40.8 Å²	40.8	32%	0.319	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-77.8	-6.8	179.4	45.3	0	0	0	0	113.3	L481 E484 N488 N489	L481-T486 WeakPolarHBondContact CA-OG1 3.45Å; L481-T486 PolarHBondContact O-N 2.95Å; E484-T486 HydrophobicContact CB-CG2 3.88Å; E484-T486 PolarHBondContact O-N 3.39Å; T486-N488 PolarHBondContact O-N 3.22Å; T486-N489 PolarHBondContact O-N 3.17Å
487	Y	83.3	Confident	87.1	Confident	7 Å²	7	37.5 Å²	37.5	3%	0.027	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-54.6	-11.5	179.5	63.8	-107.1	0	0	0	116.8	K290 L341 E342 L481 K485 N489 L490	K290-Y487 WeakPolarHBondContact CD-OH 3.47Å; K290-Y487 VanDerWaalsContact CE-OH 3.24Å; K290-Y487 WeakPolarHBondContact CE-OH 3.42Å; K290-Y487 PolarHBondContact NZ-OH 3.08Å; K290-Y487 VanDerWaalsContact NZ-OH 3.14Å; L341-Y487 HydrophobicContact CD2-CD2 3.75Å; L341-Y487 HydrophobicContact CD2-CE2 3.63Å; L341-Y487 HydrophobicContact CD2-CG 4.3Å; E342-Y487 PolarHBondContact OE1-OH 3.27Å; L481-Y487 WeakPolarHBondContact O-CD1 3.44Å; L481-Y487 PolarHBondContact O-N 2.96Å; K485-Y487 VanDerWaalsContact C-N 3.26Å; K485-Y487 HydrophobicContact CB-CE1 4.38Å; K485-Y487 PolarHBondContact O-N 3.49Å; Y487-N489 VanDerWaalsContact C-N 3.35Å; Y487-L490 WeakPolarHBondContact O-CD2 3.27Å
488	N	83.7	Confident	86.9	Confident	41 Å²	41	37.6 Å²	37.6	22%	0.219	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-74.2	-22.2	174.2	-70.4	-41.1	0	0	0	113.2	T486	T486-N488 PolarHBondContact O-N 3.22Å
489	N	86.8	Confident	86.5	Confident	62 Å²	62	44.5 Å²	44.5	33%	0.332	23%	0.233	S	C	.	.			trans	-118.4	100.3	177.4	-176.1	1.2	0	0	0	110.1	P334 T486 Y487 D491 I492	P334-N489 HydrophobicContact CB-CB 4.28Å; T486-N489 PolarHBondContact O-N 3.17Å; Y487-N489 VanDerWaalsContact C-N 3.35Å; N489-D491 PolarHBondContact OD1-N 3.21Å; N489-D491 VanDerWaalsContact OD1-N 3.15Å; N489-I492 WeakPolarHBondContact ND2-CG2 3.39Å
490	L	88.9	Confident	85.7	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.			trans	-101.9	6.7	178.9	-51.2	-179.8	0	0	0	112.3	L327 Y331 I445 I446 L449 L481 Y487	L327-L490 HydrophobicContact CB-CD1 4Å; L327-L490 HydrophobicContact CD1-CD1 4.35Å; L327-L490 HydrophobicContact CD1-CD2 4.39Å; L327-L490 HydrophobicContact CD2-CD1 4.46Å; Y331-L490 HydrophobicContact CD1-CB 4.37Å; Y331-L490 HydrophobicContact CD1-CD1 4.29Å; Y331-L490 HydrophobicContact CD2-CB 4.22Å; Y331-L490 HydrophobicContact CD2-CD1 3.7Å; Y331-L490 HydrophobicContact CD2-CG 3.87Å; Y331-L490 HydrophobicContact CE1-CB 3.97Å; Y331-L490 HydrophobicContact CE2-CB 3.83Å; Y331-L490 HydrophobicContact CE2-CD1 4.16Å; Y331-L490 HydrophobicContact CE2-CG 3.8Å; Y331-L490 HydrophobicContact CG-CB 4.46Å; Y331-L490 HydrophobicContact CG-CD1 3.75Å; Y331-L490 HydrophobicContact CG-CG 4.31Å; Y331-L490 PolarHBondContact OH-N 3.23Å; Y331-L490 VanDerWaalsContact OH-N 3.13Å; I445-L490 HydrophobicContact CB-CB 4.45Å; I445-L490 WeakPolarHBondContact CB-O 3.21Å; I445-L490 HydrophobicContact CG2-CB 4.44Å; I445-L490 HydrophobicContact CG2-CD2 4.22Å; I445-L490 PolarHBondContact N-O 2.87Å; I446-L490 HydrophobicContact CB-CB 4Å; I446-L490 HydrophobicContact CD1-CD1 4.46Å; I446-L490 PolarHBondContact N-O 3.31Å; L449-L490 HydrophobicContact CD1-CD1 3.99Å; L481-L490 HydrophobicContact CD1-CD2 3.89Å; Y487-L490 WeakPolarHBondContact O-CD2 3.27Å
491	D	90.9	Very high	85.2	Confident	81 Å²	81	48.5 Å²	48.5	43%	0.433	25%	0.248	S	C	.	.			trans	-87.6	-10.9	176.5	-67.5	1.5	0	0	0	112	Y331 P334 N489	Y331-D491 WeakPolarHBondContact CE1-OD1 3.39Å; Y331-D491 PolarHBondContact OH-N 3.07Å; Y331-D491 PolarHBondContact OH-OD1 2.88Å; P334-D491 WeakPolarHBondContact CD-OD2 3.46Å; P334-D491 HydrophobicContact CG-CB 3.94Å; P334-D491 WeakPolarHBondContact CG-OD2 3.33Å; N489-D491 PolarHBondContact OD1-N 3.21Å; N489-D491 VanDerWaalsContact OD1-N 3.15Å
492	I	91.6	Very high	83.9	Confident	37 Å²	37	52 Å²	52	19%	0.19	27%	0.273	C	S	.	.	S	Bend	trans	-59	149.8	170.5	65.5	175.4	0	0	0	111.1	P444 I445 N489	P444-I492 WeakPolarHBondContact CA-O 3.16Å; I445-I492 HydrophobicContact CD1-CD1 3.71Å; I445-I492 HydrophobicContact CD1-CG1 3.49Å; I445-I492 VanDerWaalsContact CD1-CG1 3.49Å; I445-I492 HydrophobicContact CG1-CG1 4.05Å; I445-I492 PolarHBondContact N-O 3.13Å; N489-I492 WeakPolarHBondContact ND2-CG2 3.39Å
493	T	93.5	Very high	82.3	Confident	25 Å²	25	61 Å²	61	15%	0.153	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-72.4	152.9	-178.4	74.2	0	0	0	0	111.2	D442 T495 Q496 A497	D442-T493 HydrophobicContact CB-CG2 4.39Å; T493-T495 PolarHBondContact O-N 3.02Å; T493-Q496 WeakPolarHBondContact O-CB 3.44Å; T493-Q496 PolarHBondContact O-N 3.19Å; T493-Q496 VanDerWaalsContact O-N 3.1Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.47Å; T493-Q496 PolarHBondContact OG1-N 3.17Å; T493-A497 PolarHBondContact O-N 3.42Å
494	V	92.3	Very high	80.9	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.7	-32.2	173.8	158.1	0	0	0	0	111.6	I439 T443 I445 A448 V462 Y473 A497 L498	I439-V494 HydrophobicContact CD1-CB 4.22Å; I439-V494 HydrophobicContact CD1-CG1 3.88Å; I439-V494 HydrophobicContact CD1-CG2 3.92Å; T443-V494 WeakPolarHBondContact O-CG2 3.36Å; T443-V494 PolarHBondContact O-N 3.35Å; I445-V494 HydrophobicContact CG1-CG2 4.36Å; A448-V494 HydrophobicContact CB-CG2 4.12Å; V462-V494 HydrophobicContact CG2-CG1 3.99Å; Y473-V494 HydrophobicContact CD1-CG2 4.14Å; Y473-V494 HydrophobicContact CD2-CG1 3.77Å; Y473-V494 HydrophobicContact CD2-CG2 4.29Å; Y473-V494 HydrophobicContact CE1-CG2 4.33Å; Y473-V494 HydrophobicContact CE2-CG2 4.49Å; Y473-V494 HydrophobicContact CG-CG1 3.79Å; Y473-V494 HydrophobicContact CG-CG2 4.12Å; V494-A497 WeakPolarHBondContact O-CB 3.37Å; V494-A497 PolarHBondContact O-N 2.97Å; V494-L498 HydrophobicContact CG1-CD1 3.61Å; V494-L498 HydrophobicContact CG1-CG 4.23Å; V494-L498 WeakPolarHBondContact O-CB 3.4Å; V494-L498 WeakPolarHBondContact O-CD1 3.46Å; V494-L498 WeakPolarHBondContact O-CG 3.49Å; V494-L498 PolarHBondContact O-N 2.89Å
495	T	91	Very high	80.1	Confident	57 Å²	57	70 Å²	70	35%	0.35	34%	0.34	S	S	.	.	H	α-helix	trans	-62.9	-43.4	173	-57.2	0	0	0	0	112.2	P441 T493 L498 Q499	P441-T495 VanDerWaalsContact C-OG1 3.23Å; P441-T495 VanDerWaalsContact CA-OG1 3.23Å; P441-T495 WeakPolarHBondContact CA-OG1 3.43Å; P441-T495 VanDerWaalsContact CB-OG1 3.26Å; P441-T495 WeakPolarHBondContact CB-OG1 3.47Å; P441-T495 WeakPolarHBondContact O-CB 3.04Å; P441-T495 PolarHBondContact O-N 3.21Å; P441-T495 PolarHBondContact O-OG1 3.24Å; T493-T495 PolarHBondContact O-N 3.02Å; T495-L498 PolarHBondContact O-N 3.03Å; T495-Q499 PolarHBondContact O-N 3.16Å
496	Q	89.4	Confident	79	Confident	90 Å²	90	73.4 Å²	73.4	42%	0.421	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-46.6	173.3	-70.1	164.9	-20.8	0	0	110.5	T493 L498 Q499 H500	T493-Q496 WeakPolarHBondContact O-CB 3.44Å; T493-Q496 PolarHBondContact O-N 3.19Å; T493-Q496 VanDerWaalsContact O-N 3.1Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.47Å; T493-Q496 PolarHBondContact OG1-N 3.17Å; Q496-L498 PolarHBondContact O-N 3.32Å; Q496-Q499 WeakPolarHBondContact O-CB 3.47Å; Q496-Q499 PolarHBondContact O-N 2.96Å; Q496-H500 PolarHBondContact O-CD2 3.33Å; Q496-H500 VanDerWaalsContact O-CD2 3.26Å
497	A	87.6	Confident	78.5	Confident	10 Å²	10	72.5 Å²	72.5	8%	0.083	36%	0.359	C	S	.	.	H	α-helix	trans	-56.2	-33.1	177.2	0	0	0	0	0	113.9	I445 Y473 T493 V494	I445-A497 HydrophobicContact CD1-CB 3.54Å; I445-A497 HydrophobicContact CG1-CB 3.9Å; Y473-A497 HydrophobicContact CE2-CB 4.06Å; T493-A497 PolarHBondContact O-N 3.42Å; V494-A497 WeakPolarHBondContact O-CB 3.37Å; V494-A497 PolarHBondContact O-N 2.97Å
498	L	86.5	Confident	78.6	Confident	13 Å²	13	73.2 Å²	73.2	7%	0.068	36%	0.364	C	S	.	.	H	α-helix	trans	-82.8	-19.7	-176.5	-73.3	170.1	0	0	0	113.7	V462 D471 Y473 V494 T495 Q496 H500 R501	V462-L498 HydrophobicContact CG2-CD1 4.3Å; D471-L498 HydrophobicContact CB-CD1 4.15Å; Y473-L498 HydrophobicContact CD2-CD1 4.36Å; Y473-L498 HydrophobicContact CD2-CD2 3.86Å; Y473-L498 HydrophobicContact CD2-CG 4.02Å; V494-L498 HydrophobicContact CG1-CD1 3.61Å; V494-L498 HydrophobicContact CG1-CG 4.23Å; V494-L498 WeakPolarHBondContact O-CB 3.4Å; V494-L498 WeakPolarHBondContact O-CD1 3.46Å; V494-L498 WeakPolarHBondContact O-CG 3.49Å; V494-L498 PolarHBondContact O-N 2.89Å; T495-L498 PolarHBondContact O-N 3.03Å; Q496-L498 PolarHBondContact O-N 3.32Å; L498-H500 PolarHBondContact O-N 2.78Å; L498-R501 WeakPolarHBondContact O-CB 3.25Å; L498-R501 WeakPolarHBondContact O-CG 3.3Å; L498-R501 PolarHBondContact O-N 3.26Å; L498-R501 VanDerWaalsContact O-N 3.09Å
499	Q	83	Confident	79	Confident	146 Å²	146	73.2 Å²	73.2	68%	0.682	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.6	171.8	-68.4	169.8	7.6	0	0	112.6	T495 Q496 R501	T495-Q499 PolarHBondContact O-N 3.16Å; Q496-Q499 WeakPolarHBondContact O-CB 3.47Å; Q496-Q499 PolarHBondContact O-N 2.96Å; Q499-R501 PolarHBondContact O-N 2.92Å
500	H	70.4	Confident	79.3	Confident	86 Å²	86	72.6 Å²	72.6	40%	0.398	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	6.1	176	-62.9	-93.4	0	0	0	113.9	E484 Q496 L498	E484-H500 IonicContact OE1-CE1 2.63Å; E484-H500 IonicContact OE1-CG 2.82Å; E484-H500 IonicContact OE1-ND1 3.75Å; E484-H500 PolarHBondContact OE1-ND1 3.36Å; E484-H500 IonicContact OE2-CE1 2.62Å; E484-H500 PolarHBondContact OE2-CE1 3.15Å; E484-H500 IonicContact OE2-CG 2.86Å; E484-H500 IonicContact OE2-ND1 3.23Å; E484-H500 PolarHBondContact OE2-ND1 2.86Å; Q496-H500 PolarHBondContact O-CD2 3.33Å; Q496-H500 VanDerWaalsContact O-CD2 3.26Å; L498-H500 PolarHBondContact O-N 2.78Å
501	R	74.1	Confident	79.6	Confident	47 Å²	47	72.6 Å²	72.6	18%	0.177	36%	0.36	C	S	.	.	S	Bend	trans	-71.8	135.4	166.3	-74.6	179.8	167.6	159.6	2.8	110.1	D471 I472 D477 L498 Q499 Q503	D471-R501 IonicContact OD1-CZ 2.68Å; D471-R501 IonicContact OD1-NH1 3.78Å; D471-R501 PolarHBondContact OD1-NH1 3.04Å; D471-R501 IonicContact OD2-NH1 3.88Å; I472-R501 PolarHBondContact O-NH2 3.33Å; D477-R501 VanDerWaalsContact CG-NH2 3.25Å; D477-R501 IonicContact OD1-CZ 3.76Å; D477-R501 VanDerWaalsContact OD1-CZ 3.26Å; D477-R501 IonicContact OD1-NE 2.75Å; D477-R501 PolarHBondContact OD1-NE 3.46Å; D477-R501 IonicContact OD1-NH2 2.9Å; D477-R501 PolarHBondContact OD1-NH2 3.41Å; D477-R501 IonicContact OD2-NH2 3.98Å; D477-R501 PolarHBondContact OD2-NH2 3.41Å; D477-R501 VanDerWaalsContact OD2-NH2 3.12Å; L498-R501 WeakPolarHBondContact O-CB 3.25Å; L498-R501 WeakPolarHBondContact O-CG 3.3Å; L498-R501 PolarHBondContact O-N 3.26Å; L498-R501 VanDerWaalsContact O-N 3.09Å; Q499-R501 PolarHBondContact O-N 2.92Å; R501-Q503 PolarHBondContact O-N 2.89Å
502	S	58.6	Low	79.8	Confident	80 Å²	80	71.9 Å²	71.9	56%	0.559	36%	0.356	S	S	*	.			trans	-50.5	136	168.6	53.2	0	0	0	0	110.7	Y504	S502-Y504 PolarHBondContact O-N 3.09Å
503	Q	50	Low	79.8	Confident	194 Å²	194	73 Å²	73	91%	0.907	36%	0.36	S	S	*	.	S	Bend	trans	-55.3	-1.7	-157.4	-65.7	171.3	-10.5	0	0	118.6	R501	R501-Q503 PolarHBondContact O-N 2.89Å
504	Y	51.5	Low	79.8	Confident	221 Å²	221	78 Å²	78	87%	0.867	39%	0.385	S	S	*	.			trans	-100.2	73.5	175.2	-68.8	-87.4	0	0	0	111.2	S502	S502-Y504 PolarHBondContact O-N 3.09Å
505	F	62.9	Low	79.9	Confident	89 Å²	89	79.5 Å²	79.5	39%	0.39	39%	0.392	S	S	.	.			trans	-97.2	103.1	165.5	-176.9	-120.8	0	0	0	109.8	D471 G507 V508	D471-F505 WeakPolarHBondContact OD1-CZ 3.32Å; F505-G507 WeakPolarHBondContact CE2-O 3.48Å; F505-G507 VanDerWaalsContact CZ-C 3.46Å; F505-G507 PolarHBondContact O-N 2.98Å; F505-V508 HydrophobicContact CZ-CG2 4.28Å
506	E	59.8	Low	80	Confident	204 Å²	204	79.5 Å²	79.5	95%	0.953	39%	0.389	S	S	*	.			trans	-76.8	8.1	-179.7	-151.8	179.8	163.3	0	0	113.3
507	G	72.4	Confident	80.2	Confident	32 Å²	32	75.2 Å²	75.2	33%	0.33	37%	0.369	S	S	.	.			trans	91.9	-177.7	-175.1	0	0	0	0	0	114.1	F505	F505-G507 WeakPolarHBondContact CE2-O 3.48Å; F505-G507 VanDerWaalsContact CZ-C 3.46Å; F505-G507 PolarHBondContact O-N 2.98Å
508	V	85.6	Confident	80.4	Confident	23 Å²	23	76.9 Å²	76.9	14%	0.139	38%	0.375	C	S	.	.			trans	-79.9	129	175.1	-172.7	0	0	0	0	109.7	V469 D471 I472 F505 K510 V533	V469-V508 HydrophobicContact CG1-CB 4.29Å; V469-V508 HydrophobicContact CG1-CG1 3.99Å; V469-V508 HydrophobicContact CG1-CG2 4.19Å; D471-V508 VanDerWaalsContact C-CG2 3.4Å; I472-V508 HydrophobicContact CB-CG1 4.36Å; I472-V508 HydrophobicContact CB-CG2 4.37Å; I472-V508 HydrophobicContact CG2-CG1 4.18Å; I472-V508 HydrophobicContact CG2-CG2 4.07Å; F505-V508 HydrophobicContact CZ-CG2 4.28Å; V508-K510 HydrophobicContact CG1-CG 4.47Å; V508-K510 PolarHBondContact O-N 3.45Å; V508-V533 HydrophobicContact CG1-CB 4.39Å; V508-V533 HydrophobicContact CG1-CG2 3.8Å
509	V	91.8	Very high	80.7	Confident	40 Å²	40	79 Å²	79	24%	0.242	39%	0.389	C	S	.	.			trans	-77.7	112.2	174.5	-159.6	0	0	0	0	109.7	R523 A527 V529 L532 V533	V509-R523 HydrophobicContact CG1-CG 3.81Å; V509-A527 HydrophobicContact CG1-CB 4.11Å; V509-A527 HydrophobicContact CG2-CB 3.89Å; V509-V529 HydrophobicContact CB-CG2 4.44Å; V509-V529 HydrophobicContact CG2-CG1 3.85Å; V509-V529 HydrophobicContact CG2-CG2 4.27Å; V509-L532 HydrophobicContact CB-CD2 3.76Å; V509-L532 HydrophobicContact CG1-CD2 3.52Å; V509-V533 PolarHBondContact O-N 3.23Å
510	K	94.2	Very high	81.3	Confident	49 Å²	49	72.1 Å²	72.1	21%	0.213	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	165.2	-174.9	-61.2	174.6	-173.1	-169.9	0	112.2	V469 V508 R523 V533 V535 D539	V469-K510 WeakPolarHBondContact O-CE 3.39Å; V469-K510 PolarHBondContact O-NZ 2.97Å; V508-K510 HydrophobicContact CG1-CG 4.47Å; V508-K510 PolarHBondContact O-N 3.45Å; K510-R523 WeakPolarHBondContact O-CD 3.39Å; K510-R523 PolarHBondContact O-NH1 3.03Å; K510-V533 CarbonylContact C-O 3.57Å; K510-V533 WeakPolarHBondContact CA-O 3.18Å; K510-V535 HydrophobicContact CB-CG2 4.13Å; K510-V535 HydrophobicContact CD-CG1 4.15Å; K510-V535 HydrophobicContact CD-CG2 4.29Å; K510-V535 HydrophobicContact CG-CG1 4.28Å; K510-D539 WeakPolarHBondContact CD-OD1 3.5Å; K510-D539 WeakPolarHBondContact CE-OD1 3.27Å; K510-D539 IonicContact NZ-OD1 3.47Å; K510-D539 PolarHBondContact NZ-OD1 3.46Å; K510-D539 IonicContact NZ-OD2 2.87Å; K510-D539 PolarHBondContact NZ-OD2 3.45Å
511	C	94.7	Very high	82.3	Confident	1 Å²	1	68 Å²	68	1%	0.007	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	160.3	166.7	56.5	0	0	0	0	111.6	E515 I520 L532 V533 V534 V535	C511-E515 WeakPolarHBondContact CA-OE1 3.31Å; C511-E515 WeakPolarHBondContact CB-OE1 3.46Å; C511-I520 HydrophobicContact CB-CG1 4.12Å; C511-L532 HydrophobicContact CB-CD1 3.89Å; C511-V533 PolarHBondContact N-O 3.43Å; C511-V534 CarbonylContact O-C 3.53Å; C511-V534 WeakPolarHBondContact O-CA 3.35Å; C511-V534 WeakPolarHBondContact O-CG1 3.32Å; C511-V535 PolarHBondContact O-N 3.21Å
512	N	94.4	Very high	83.2	Confident	65 Å²	65	68.6 Å²	68.6	35%	0.348	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	155.5	177.8	-62.3	-2.7	0	0	0	111.4	L514 E515 V535	N512-L514 PolarHBondContact O-N 3.44Å; N512-E515 HydrophobicContact CB-CG 4.23Å; N512-E515 PolarHBondContact N-OE1 3.05Å; N512-E515 WeakPolarHBondContact O-CB 3.23Å; N512-E515 PolarHBondContact O-N 2.97Å; N512-V535 WeakPolarHBondContact OD1-CG2 3.34Å
513	K	92.6	Very high	84.9	Confident	61 Å²	61	67.7 Å²	67.7	27%	0.265	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-27.9	175.8	-80.8	-175.8	151.1	-147.6	0	114.2	L425 D426 Y433 E515 V534 V542	L425-K513 PolarHBondContact N-O 3.05Å; D426-K513 HydrophobicContact CB-CB 4.34Å; D426-K513 PolarHBondContact N-O 2.96Å; D426-K513 VanDerWaalsContact OD1-CD 3.24Å; D426-K513 WeakPolarHBondContact OD1-CD 3.48Å; D426-K513 WeakPolarHBondContact OD1-CE 3.4Å; D426-K513 IonicContact OD1-NZ 3.22Å; D426-K513 PolarHBondContact OD1-NZ 3.14Å; D426-K513 IonicContact OD2-NZ 3.12Å; Y433-K513 HydrophobicContact CE1-CG 4.11Å; K513-E515 VanDerWaalsContact C-N 3.29Å; K513-E515 PolarHBondContact O-N 2.91Å; K513-V534 HydrophobicContact CG-CG1 3.99Å; K513-V542 HydrophobicContact CD-CG1 3.88Å; K513-V542 HydrophobicContact CG-CG1 4.26Å
514	L	92.7	Very high	87	Confident	130 Å²	130	58.5 Å²	58.5	68%	0.681	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	14	-179	-54.2	179	0	0	0	113.1	N424 N512	N424-L514 PolarHBondContact OD1-O 3.4Å; N512-L514 PolarHBondContact O-N 3.44Å
515	E	94.3	Very high	89	Confident	32 Å²	32	48.5 Å²	48.5	15%	0.15	25%	0.248	C	C	.	.	S	Bend	trans	-92.3	141	172.2	-68.1	-171	-124.3	0	0	111.5	L425 C511 N512 K513 I520 R523	L425-E515 PolarHBondContact N-O 3.05Å; L425-E515 VanDerWaalsContact N-O 3.16Å; C511-E515 WeakPolarHBondContact CA-OE1 3.31Å; C511-E515 WeakPolarHBondContact CB-OE1 3.46Å; N512-E515 HydrophobicContact CB-CG 4.23Å; N512-E515 PolarHBondContact N-OE1 3.05Å; N512-E515 WeakPolarHBondContact O-CB 3.23Å; N512-E515 PolarHBondContact O-N 2.97Å; K513-E515 VanDerWaalsContact C-N 3.29Å; K513-E515 PolarHBondContact O-N 2.91Å; E515-I520 HydrophobicContact CB-CD1 3.66Å; E515-I520 HydrophobicContact CB-CG1 4.17Å; E515-R523 VanDerWaalsContact CD-NH1 3.33Å; E515-R523 IonicContact OE1-CZ 2.98Å; E515-R523 IonicContact OE1-NH1 2.76Å; E515-R523 PolarHBondContact OE1-NH1 2.83Å; E515-R523 IonicContact OE1-NH2 3.14Å; E515-R523 IonicContact OE2-CZ 2.8Å; E515-R523 IonicContact OE2-NH1 3.74Å; E515-R523 PolarHBondContact OE2-NH1 3.08Å; E515-R523 IonicContact OE2-NH2 3.26Å; E515-R523 PolarHBondContact OE2-NH2 3.47Å
516	I	93.9	Very high	90.3	Very high	57 Å²	57	53.3 Å²	53.3	29%	0.292	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-69.4	144.9	174.2	64.9	174.8	0	0	0	111.7	K422 Q423 E518 T519 I520	K422-I516 VanDerWaalsContact O-CG2 3.29Å; K422-I516 WeakPolarHBondContact O-CG2 3.4Å; Q423-I516 WeakPolarHBondContact O-CA 3.23Å; I516-E518 HydrophobicContact CD1-CB 4.24Å; I516-E518 HydrophobicContact CG1-CB 4.42Å; I516-E518 PolarHBondContact O-N 3.13Å; I516-T519 WeakPolarHBondContact CG1-OG1 3.34Å; I516-T519 PolarHBondContact O-N 3.28Å; I516-I520 PolarHBondContact O-N 3.23Å
517	L	92.8	Very high	91.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55.8	-36.6	-177.7	-178.8	61.3	0	0	0	113	F420 M421 Q423 L428 I430 I520 V521 L554	F420-L517 HydrophobicContact CD2-CD2 4.15Å; F420-L517 HydrophobicContact CE2-CD2 4.4Å; M421-L517 HydrophobicContact CE-CG 4.46Å; M421-L517 HydrophobicContact SD-CD2 3.93Å; M421-L517 HydrophobicContact SD-CG 4.26Å; Q423-L517 PolarHBondContact O-N 2.89Å; L428-L517 HydrophobicContact CD1-CB 3.81Å; L428-L517 HydrophobicContact CD1-CD2 4.21Å; I430-L517 HydrophobicContact CD1-CD1 3.95Å; I430-L517 HydrophobicContact CD1-CD2 3.85Å; I430-L517 HydrophobicContact CD1-CG 4.48Å; L517-I520 PolarHBondContact O-N 2.92Å; L517-V521 HydrophobicContact CD1-CG2 4.16Å; L517-V521 HydrophobicContact CG-CG2 4.27Å; L517-V521 WeakPolarHBondContact O-CG2 3.35Å; L517-V521 PolarHBondContact O-N 2.71Å; L517-L554 HydrophobicContact CD2-CD2 3.94Å
518	E	92.4	Very high	92.7	Very high	44 Å²	44	47 Å²	47	21%	0.206	23%	0.232	C	C	.	.	H	α-helix	trans	-55.2	-52.3	176.9	-171.6	170.7	155.4	0	0	112.9	K417 M421 I516 I520 V521 D522	K417-E518 WeakPolarHBondContact CD-OE2 3.38Å; K417-E518 IonicContact NZ-OE1 2.65Å; K417-E518 PolarHBondContact NZ-OE1 3.02Å; K417-E518 IonicContact NZ-OE2 3.84Å; M421-E518 HydrophobicContact CE-CB 3.96Å; M421-E518 HydrophobicContact CE-CG 4.35Å; M421-E518 WeakPolarHBondContact O-CB 3.2Å; M421-E518 PolarHBondContact O-N 3.14Å; M421-E518 VanDerWaalsContact O-N 3.07Å; I516-E518 HydrophobicContact CD1-CB 4.24Å; I516-E518 HydrophobicContact CG1-CB 4.42Å; I516-E518 PolarHBondContact O-N 3.13Å; E518-I520 PolarHBondContact O-N 2.6Å; E518-V521 PolarHBondContact O-N 3.26Å; E518-D522 PolarHBondContact O-N 3.15Å
519	T	93.6	Very high	93	Very high	59 Å²	59	48 Å²	48	36%	0.362	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-34.7	178.2	-61.6	0	0	0	0	112.2	I516 R523	I516-T519 WeakPolarHBondContact CG1-OG1 3.34Å; I516-T519 PolarHBondContact O-N 3.28Å; T519-R523 VanDerWaalsContact O-CB 3.23Å; T519-R523 WeakPolarHBondContact O-CB 3.43Å; T519-R523 PolarHBondContact O-N 3.16Å
520	I	93.8	Very high	92.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-75.7	-40.1	-180	-75.8	151	0	0	0	112	L425 C511 E515 I516 L517 E518 R523 I524 L532 I545 I550	L425-I520 HydrophobicContact CD1-CD1 3.41Å; L425-I520 VanDerWaalsContact CD1-CD1 3.41Å; L425-I520 HydrophobicContact CD2-CD1 3.9Å; L425-I520 HydrophobicContact CG-CD1 3.39Å; C511-I520 HydrophobicContact CB-CG1 4.12Å; E515-I520 HydrophobicContact CB-CD1 3.66Å; E515-I520 HydrophobicContact CB-CG1 4.17Å; I516-I520 PolarHBondContact O-N 3.23Å; L517-I520 PolarHBondContact O-N 2.92Å; E518-I520 PolarHBondContact O-N 2.6Å; I520-R523 PolarHBondContact O-N 2.82Å; I520-I524 WeakPolarHBondContact O-CB 3.49Å; I520-I524 WeakPolarHBondContact O-CG2 3.13Å; I520-I524 PolarHBondContact O-N 3.04Å; I520-L532 HydrophobicContact CG2-CD1 3.97Å; I520-I545 HydrophobicContact CG2-CD1 4.18Å; I520-I550 HydrophobicContact CG2-CD1 4.38Å
521	V	93.1	Very high	93	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-62.9	-44.9	173.6	172.8	0	0	0	0	110.4	L405 M412 M421 L517 E518 I524 V525 I550 L554	L405-V521 HydrophobicContact CD1-CG1 4.24Å; M412-V521 HydrophobicContact CE-CG1 4.05Å; M412-V521 HydrophobicContact SD-CG1 4.13Å; M421-V521 HydrophobicContact CE-CG2 4.47Å; L517-V521 HydrophobicContact CD1-CG2 4.16Å; L517-V521 HydrophobicContact CG-CG2 4.27Å; L517-V521 WeakPolarHBondContact O-CG2 3.35Å; L517-V521 PolarHBondContact O-N 2.71Å; E518-V521 PolarHBondContact O-N 3.26Å; V521-I524 WeakPolarHBondContact O-CG2 3.32Å; V521-V525 WeakPolarHBondContact O-CB 3.5Å; V521-V525 VanDerWaalsContact O-CG2 3.31Å; V521-V525 WeakPolarHBondContact O-CG2 3.46Å; V521-V525 PolarHBondContact O-N 3.43Å; V521-V525 VanDerWaalsContact O-N 3.09Å; V521-I550 HydrophobicContact CG2-CG2 3.96Å; V521-L554 HydrophobicContact CG2-CD1 4.42Å
522	D	92.9	Very high	93	Very high	59 Å²	59	47.2 Å²	47.2	32%	0.316	23%	0.232	S	C	.	.	H	α-helix	trans	-66.6	-38	175	-84.8	-22.9	0	0	0	112.5	Q409 E518 R526	Q409-D522 PolarHBondContact NE2-OD1 3.32Å; E518-D522 PolarHBondContact O-N 3.15Å; D522-R526 WeakPolarHBondContact O-CB 3.24Å; D522-R526 PolarHBondContact O-N 3.03Å
523	R	93.9	Very high	93.1	Very high	60 Å²	60	44.1 Å²	44.1	23%	0.226	22%	0.215	C	C	.	.	H	α-helix	trans	-64.5	-47.2	176.6	-174.3	176.5	-60.2	156	15	112	V509 K510 E515 T519 I520 A527 L532	V509-R523 HydrophobicContact CG1-CG 3.81Å; K510-R523 WeakPolarHBondContact O-CD 3.39Å; K510-R523 PolarHBondContact O-NH1 3.03Å; E515-R523 VanDerWaalsContact CD-NH1 3.33Å; E515-R523 IonicContact OE1-CZ 2.98Å; E515-R523 IonicContact OE1-NH1 2.76Å; E515-R523 PolarHBondContact OE1-NH1 2.83Å; E515-R523 IonicContact OE1-NH2 3.14Å; E515-R523 IonicContact OE2-CZ 2.8Å; E515-R523 IonicContact OE2-NH1 3.74Å; E515-R523 PolarHBondContact OE2-NH1 3.08Å; E515-R523 IonicContact OE2-NH2 3.26Å; E515-R523 PolarHBondContact OE2-NH2 3.47Å; T519-R523 VanDerWaalsContact O-CB 3.23Å; T519-R523 WeakPolarHBondContact O-CB 3.43Å; T519-R523 PolarHBondContact O-N 3.16Å; I520-R523 PolarHBondContact O-N 2.82Å; R523-A527 VanDerWaalsContact O-CB 3.27Å; R523-A527 WeakPolarHBondContact O-CB 3.09Å; R523-A527 PolarHBondContact O-N 2.72Å; R523-L532 HydrophobicContact CB-CD1 4.41Å; R523-L532 HydrophobicContact CG-CD1 4.29Å
524	I	94.3	Very high	93.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-70	-34.2	-177.1	-158.1	175.1	0	0	0	112	L405 I520 V521 E528 V529 L532 L547 I550	L405-I524 HydrophobicContact CD2-CG2 3.78Å; I520-I524 WeakPolarHBondContact O-CB 3.49Å; I520-I524 WeakPolarHBondContact O-CG2 3.13Å; I520-I524 PolarHBondContact O-N 3.04Å; V521-I524 WeakPolarHBondContact O-CG2 3.32Å; I524-E528 PolarHBondContact O-N 2.89Å; I524-V529 HydrophobicContact CG1-CG2 3.83Å; I524-V529 PolarHBondContact O-N 2.9Å; I524-L532 HydrophobicContact CB-CD1 4.46Å; I524-L532 HydrophobicContact CB-CD2 4.12Å; I524-L532 HydrophobicContact CB-CG 4.19Å; I524-L532 HydrophobicContact CD1-CG 4.3Å; I524-L532 HydrophobicContact CG1-CD2 4.02Å; I524-L532 HydrophobicContact CG1-CG 4.18Å; I524-L547 HydrophobicContact CD1-CD2 3.72Å; I524-L547 HydrophobicContact CD1-CG 3.97Å; I524-L547 HydrophobicContact CG1-CD2 4.12Å; I524-L547 HydrophobicContact CG2-CD2 4.23Å; I524-I550 HydrophobicContact CD1-CD1 3.92Å; I524-I550 HydrophobicContact CG2-CD1 3.95Å
525	V	92.5	Very high	93.4	Very high	12 Å²	12	35.3 Å²	35.3	7%	0.073	17%	0.172	C	C	.	.	H	α-helix	trans	-74	-46.4	174.9	176.4	0	0	0	0	111.2	L405 K406 Q409 V521 A527 E528	L405-V525 HydrophobicContact CB-CG2 4.47Å; L405-V525 HydrophobicContact CD2-CG2 3.78Å; L405-V525 HydrophobicContact CG-CG2 3.77Å; K406-V525 HydrophobicContact CB-CG1 4.19Å; K406-V525 HydrophobicContact CG-CG1 4.01Å; Q409-V525 HydrophobicContact CB-CG1 4.32Å; Q409-V525 HydrophobicContact CB-CG2 4.23Å; Q409-V525 HydrophobicContact CG-CB 4.36Å; Q409-V525 HydrophobicContact CG-CG1 4.21Å; Q409-V525 HydrophobicContact CG-CG2 4.29Å; V521-V525 WeakPolarHBondContact O-CB 3.5Å; V521-V525 VanDerWaalsContact O-CG2 3.31Å; V521-V525 WeakPolarHBondContact O-CG2 3.46Å; V521-V525 PolarHBondContact O-N 3.43Å; V521-V525 VanDerWaalsContact O-N 3.09Å; V525-A527 PolarHBondContact O-N 2.94Å; V525-E528 PolarHBondContact O-N 2.87Å
526	R	91.7	Very high	93.4	Very high	189 Å²	189	36.9 Å²	36.9	71%	0.713	18%	0.181	S	C	*	.	H	α-helix	trans	-61.9	-41.9	179	-176.7	173	69.3	-123.6	6.8	112.6	D522 E528	D522-R526 WeakPolarHBondContact O-CB 3.24Å; D522-R526 PolarHBondContact O-N 3.03Å; R526-E528 PolarHBondContact O-N 3.49Å
527	A	91	Very high	93.3	Very high	42 Å²	42	43.2 Å²	43.2	35%	0.347	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-1	176.7	0	0	0	0	0	113.5	V509 R523 V525 V529	V509-A527 HydrophobicContact CG1-CB 4.11Å; V509-A527 HydrophobicContact CG2-CB 3.89Å; R523-A527 VanDerWaalsContact O-CB 3.27Å; R523-A527 WeakPolarHBondContact O-CB 3.09Å; R523-A527 PolarHBondContact O-N 2.72Å; V525-A527 PolarHBondContact O-N 2.94Å; A527-V529 HydrophobicContact CB-CG1 4.33Å; A527-V529 HydrophobicContact CB-CG2 4.27Å; A527-V529 WeakPolarHBondContact O-CG1 3.34Å; A527-V529 PolarHBondContact O-N 2.55Å
528	E	90.2	Very high	93.3	Very high	62 Å²	62	45.6 Å²	45.6	29%	0.29	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	13.5	175.3	-75.2	-99.6	134.8	0	0	115	K402 K406 I524 V525 R526	K402-E528 VanDerWaalsContact CE-O 3.27Å; K402-E528 WeakPolarHBondContact CE-O 3.37Å; K402-E528 WeakPolarHBondContact CE-OE2 3.21Å; K402-E528 PolarHBondContact NZ-O 3.43Å; K402-E528 IonicContact NZ-OE2 3.52Å; K402-E528 PolarHBondContact NZ-OE2 3.26Å; K406-E528 IonicContact NZ-OE1 3.32Å; K406-E528 PolarHBondContact NZ-OE1 3.17Å; I524-E528 PolarHBondContact O-N 2.89Å; V525-E528 PolarHBondContact O-N 2.87Å; R526-E528 PolarHBondContact O-N 3.49Å
529	V	91.6	Very high	93.4	Very high	44 Å²	44	46.5 Å²	46.5	27%	0.267	24%	0.235	S	C	.	.			trans	-85.8	172.2	-174.1	-63.6	0	0	0	0	113.6	V509 I524 A527 R531 L532	V509-V529 HydrophobicContact CB-CG2 4.44Å; V509-V529 HydrophobicContact CG2-CG1 3.85Å; V509-V529 HydrophobicContact CG2-CG2 4.27Å; I524-V529 HydrophobicContact CG1-CG2 3.83Å; I524-V529 PolarHBondContact O-N 2.9Å; A527-V529 HydrophobicContact CB-CG1 4.33Å; A527-V529 HydrophobicContact CB-CG2 4.27Å; A527-V529 WeakPolarHBondContact O-CG1 3.34Å; A527-V529 PolarHBondContact O-N 2.55Å; V529-R531 VanDerWaalsContact CG2-O 3.29Å; V529-R531 WeakPolarHBondContact CG2-O 3.5Å; V529-L532 HydrophobicContact CG2-CD2 3.88Å
530	H	91.5	Very high	93.4	Very high	46 Å²	46	45 Å²	45	21%	0.213	23%	0.227	C	C	.	.	S	Bend	trans	-99	-12.1	-177.9	-79.5	-110.9	0	0	0	114.7	R302 K402 L547	R302-H530 PolarHBondContact NH1-NE2 2.78Å; K402-H530 WeakPolarHBondContact CD-NE2 3.17Å; H530-L547 HydrophobicContact CB-CD1 4.36Å; H530-L547 PolarHBondContact O-N 3.5Å
531	R	94.7	Very high	93.4	Very high	26 Å²	26	46.6 Å²	46.6	10%	0.098	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	162.3	177.8	86.6	-154	80	-124.2	-1.2	109.5	S458 A459 I472 V529 I544 I545	S458-R531 PolarHBondContact O-NH2 3.33Å; S458-R531 PolarHBondContact OG-NH1 3.1Å; A459-R531 VanDerWaalsContact CB-NE 3.3Å; I472-R531 HydrophobicContact CD1-CG 3.97Å; V529-R531 VanDerWaalsContact CG2-O 3.29Å; V529-R531 WeakPolarHBondContact CG2-O 3.5Å; R531-I544 HydrophobicContact CB-CG2 4.12Å; R531-I544 HydrophobicContact CG-CG2 3.96Å; R531-I545 CarbonylContact C-O 3.6Å; R531-I545 WeakPolarHBondContact CA-O 3.41Å; R531-I545 VanDerWaalsContact CB-O 3.27Å; R531-I545 WeakPolarHBondContact CB-O 3.42Å
532	L	95.3	Very high	93.5	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	153.6	158.4	-50.6	-175.2	0	0	0	109.3	V509 C511 I520 R523 I524 V529 I545	V509-L532 HydrophobicContact CB-CD2 3.76Å; V509-L532 HydrophobicContact CG1-CD2 3.52Å; C511-L532 HydrophobicContact CB-CD1 3.89Å; I520-L532 HydrophobicContact CG2-CD1 3.97Å; R523-L532 HydrophobicContact CB-CD1 4.41Å; R523-L532 HydrophobicContact CG-CD1 4.29Å; I524-L532 HydrophobicContact CB-CD1 4.46Å; I524-L532 HydrophobicContact CB-CD2 4.12Å; I524-L532 HydrophobicContact CB-CG 4.19Å; I524-L532 HydrophobicContact CD1-CG 4.3Å; I524-L532 HydrophobicContact CG1-CD2 4.02Å; I524-L532 HydrophobicContact CG1-CG 4.18Å; V529-L532 HydrophobicContact CG2-CD2 3.88Å; L532-I545 HydrophobicContact CB-CG2 3.83Å; L532-I545 HydrophobicContact CG-CG2 4.42Å; L532-I545 PolarHBondContact N-O 2.86Å; L532-I545 PolarHBondContact O-N 3.25Å; L532-I545 VanDerWaalsContact O-N 3.09Å
533	V	96	Very high	93.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.7	167.3	-172.1	0	0	0	0	108	P461 V469 I472 V508 V509 K510 C511 V535 I541	P461-V533 HydrophobicContact CB-CG1 4.44Å; P461-V533 HydrophobicContact CB-CG2 4.36Å; P461-V533 HydrophobicContact CG-CG1 4.22Å; P461-V533 HydrophobicContact CG-CG2 3.97Å; V469-V533 HydrophobicContact CG1-CB 4.47Å; V469-V533 HydrophobicContact CG1-CG1 4.25Å; V469-V533 HydrophobicContact CG1-CG2 4.44Å; V469-V533 HydrophobicContact CG2-CG1 3.84Å; I472-V533 HydrophobicContact CD1-CG2 4.12Å; V508-V533 HydrophobicContact CG1-CB 4.39Å; V508-V533 HydrophobicContact CG1-CG2 3.8Å; V509-V533 PolarHBondContact O-N 3.23Å; K510-V533 CarbonylContact C-O 3.57Å; K510-V533 WeakPolarHBondContact CA-O 3.18Å; C511-V533 PolarHBondContact N-O 3.43Å; V533-V535 HydrophobicContact CG1-CG1 4.39Å; V533-I541 HydrophobicContact CG1-CD1 4.06Å; V533-I541 HydrophobicContact CG1-CG1 4Å
534	V	96.1	Very high	93.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.6	176	-163.2	0	0	0	0	108.6	L425 Y433 C511 K513 V542 G543 I545	L425-V534 HydrophobicContact CD1-CG2 4.45Å; Y433-V534 HydrophobicContact CE1-CB 4.18Å; Y433-V534 HydrophobicContact CE1-CG1 4.1Å; Y433-V534 HydrophobicContact CE1-CG2 4.03Å; C511-V534 CarbonylContact O-C 3.53Å; C511-V534 WeakPolarHBondContact O-CA 3.35Å; C511-V534 WeakPolarHBondContact O-CG1 3.32Å; K513-V534 HydrophobicContact CG-CG1 3.99Å; V534-V542 PolarHBondContact O-N 2.92Å; V534-G543 PolarHBondContact N-O 2.86Å; V534-G543 PolarHBondContact O-N 3.18Å; V534-I545 HydrophobicContact CG2-CB 4.46Å; V534-I545 HydrophobicContact CG2-CG2 4.13Å
535	V	95.7	Very high	93.8	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	169.5	-178	-61.3	0	0	0	0	112.3	V469 K510 C511 N512 V533 S540	V469-V535 HydrophobicContact CB-CG1 4.41Å; V469-V535 HydrophobicContact CG2-CG1 3.84Å; K510-V535 HydrophobicContact CB-CG2 4.13Å; K510-V535 HydrophobicContact CD-CG1 4.15Å; K510-V535 HydrophobicContact CD-CG2 4.29Å; K510-V535 HydrophobicContact CG-CG1 4.28Å; C511-V535 PolarHBondContact O-N 3.21Å; N512-V535 WeakPolarHBondContact OD1-CG2 3.34Å; V533-V535 HydrophobicContact CG1-CG1 4.39Å; V535-S540 WeakPolarHBondContact CA-O 3.31Å; V535-S540 WeakPolarHBondContact CB-O 3.47Å
536	N	94.3	Very high	93.9	Very high	66 Å²	66	44.2 Å²	44.2	35%	0.353	23%	0.23	S	C	.	.			trans	-97.5	-179.9	166.6	67.8	8.6	0	0	0	111.1	A538 D539 S540 V542	N536-A538 PolarHBondContact O-N 3.31Å; N536-A538 WeakPolarHBondContact OD1-CA 3.2Å; N536-A538 WeakPolarHBondContact OD1-CB 3.19Å; N536-A538 PolarHBondContact OD1-N 2.6Å; N536-D539 PolarHBondContact O-N 3Å; N536-D539 PolarHBondContact OD1-N 2.97Å; N536-D539 VanDerWaalsContact OD1-N 3.11Å; N536-S540 PolarHBondContact N-O 3.07Å; N536-S540 VanDerWaalsContact N-O 3.11Å; N536-S540 WeakPolarHBondContact OD1-CB 3.49Å; N536-S540 PolarHBondContact OD1-N 3.32Å; N536-S540 PolarHBondContact OD1-OG 3.46Å; N536-V542 HydrophobicContact CB-CG2 3.78Å
537	E	92.8	Very high	94.1	Very high	189 Å²	189	35.5 Å²	35.5	88%	0.883	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23	177	-58.3	178.8	164.9	0	0	114	D539	E537-D539 VanDerWaalsContact C-N 3.26Å
538	A	93	Very high	94.2	Very high	50 Å²	50	34.7 Å²	34.7	41%	0.413	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	3	175.7	0	0	0	0	0	113.4	K468 N536 S540	K468-A538 WeakPolarHBondContact CD-O 3.17Å; K468-A538 WeakPolarHBondContact CE-O 3.26Å; K468-A538 PolarHBondContact NZ-O 2.79Å; N536-A538 PolarHBondContact O-N 3.31Å; N536-A538 WeakPolarHBondContact OD1-CA 3.2Å; N536-A538 WeakPolarHBondContact OD1-CB 3.19Å; N536-A538 PolarHBondContact OD1-N 2.6Å; A538-S540 PolarHBondContact O-N 3.15Å
539	D	92.9	Very high	94.4	Very high	63 Å²	63	33.6 Å²	33.6	34%	0.337	19%	0.185	S	C	.	.	S	Bend	trans	69	14.6	-177.5	-138.6	-0.8	0	0	0	114.8	K468 V469 K510 N536 E537	K468-D539 WeakPolarHBondContact CA-O 3.04Å; K468-D539 HydrophobicContact CD-CB 4.44Å; K468-D539 HydrophobicContact CG-CB 4.48Å; V469-D539 PolarHBondContact N-O 2.92Å; V469-D539 VanDerWaalsContact N-O 3.08Å; K510-D539 WeakPolarHBondContact CD-OD1 3.5Å; K510-D539 WeakPolarHBondContact CE-OD1 3.27Å; K510-D539 IonicContact NZ-OD1 3.47Å; K510-D539 PolarHBondContact NZ-OD1 3.46Å; K510-D539 IonicContact NZ-OD2 2.87Å; K510-D539 PolarHBondContact NZ-OD2 3.45Å; N536-D539 PolarHBondContact O-N 3Å; N536-D539 PolarHBondContact OD1-N 2.97Å; N536-D539 VanDerWaalsContact OD1-N 3.11Å; E537-D539 VanDerWaalsContact C-N 3.26Å
540	S	94.6	Very high	94.5	Very high	27 Å²	27	31.5 Å²	31.5	19%	0.189	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-76.9	149.1	175	-41.3	0	0	0	0	112	G467 V535 N536 A538	G467-S540 WeakPolarHBondContact O-CA 3.38Å; V535-S540 WeakPolarHBondContact CA-O 3.31Å; V535-S540 WeakPolarHBondContact CB-O 3.47Å; N536-S540 PolarHBondContact N-O 3.07Å; N536-S540 VanDerWaalsContact N-O 3.11Å; N536-S540 WeakPolarHBondContact OD1-CB 3.49Å; N536-S540 PolarHBondContact OD1-N 3.32Å; N536-S540 PolarHBondContact OD1-OG 3.46Å; A538-S540 PolarHBondContact O-N 3.15Å
541	I	94.5	Very high	94.6	Very high	34 Å²	34	29.3 Å²	29.3	17%	0.174	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	132.4	178.7	-170.6	166.2	0	0	0	113	I436 P461 V463 G467 V469 V533	I436-I541 HydrophobicContact CG2-CD1 3.71Å; I436-I541 HydrophobicContact CG2-CG1 4.45Å; P461-I541 HydrophobicContact CB-CD1 3.74Å; P461-I541 HydrophobicContact CG-CD1 3.69Å; V463-I541 HydrophobicContact CG1-CB 4.33Å; V463-I541 HydrophobicContact CG1-CG2 4.09Å; G467-I541 PolarHBondContact O-N 3.49Å; V469-I541 HydrophobicContact CG2-CB 3.78Å; V469-I541 HydrophobicContact CG2-CG1 4.36Å; V533-I541 HydrophobicContact CG1-CD1 4.06Å; V533-I541 HydrophobicContact CG1-CG1 4Å
542	V	94.9	Very high	94.5	Very high	38 Å²	38	32.3 Å²	32.3	23%	0.23	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	-27.4	178.1	179.2	0	0	0	0	112.4	Y433 I436 K513 V534 N536	Y433-V542 HydrophobicContact CD1-CG1 4.4Å; I436-V542 VanDerWaalsContact CD1-O 3.28Å; I436-V542 WeakPolarHBondContact CD1-O 3.41Å; K513-V542 HydrophobicContact CD-CG1 3.88Å; K513-V542 HydrophobicContact CG-CG1 4.26Å; V534-V542 PolarHBondContact O-N 2.92Å; N536-V542 HydrophobicContact CB-CG2 3.78Å
543	G	95.2	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	180	-177.4	0	0	0	0	0	114.2	T432 V534	T432-G543 CarbonylContact O-C 3.55Å; T432-G543 WeakPolarHBondContact O-CA 3.21Å; V534-G543 PolarHBondContact N-O 2.86Å; V534-G543 PolarHBondContact O-N 3.18Å
544	I	95.6	Very high	94	Very high	24 Å²	24	32.8 Å²	32.8	12%	0.123	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.4	168.9	-57.7	177.9	0	0	0	108.2	T432 I436 P461 R531	T432-I544 PolarHBondContact N-O 3.46Å; T432-I544 PolarHBondContact O-N 3.36Å; I436-I544 HydrophobicContact CG2-CD1 3.91Å; I436-I544 HydrophobicContact CG2-CG1 4.1Å; P461-I544 HydrophobicContact CG-CD1 3.7Å; P461-I544 HydrophobicContact CG-CG1 4.19Å; R531-I544 HydrophobicContact CB-CG2 4.12Å; R531-I544 HydrophobicContact CG-CG2 3.96Å
545	I	95.6	Very high	93.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.1	171.2	-177.3	170.1	0	0	0	109.7	L425 I430 I520 R531 L532 V534 D549 I550	L425-I545 HydrophobicContact CD2-CD1 3.6Å; I430-I545 HydrophobicContact CB-CD1 4.27Å; I430-I545 HydrophobicContact CG2-CD1 3.61Å; I430-I545 HydrophobicContact CG2-CG1 4.17Å; I520-I545 HydrophobicContact CG2-CD1 4.18Å; R531-I545 CarbonylContact C-O 3.6Å; R531-I545 WeakPolarHBondContact CA-O 3.41Å; R531-I545 VanDerWaalsContact CB-O 3.27Å; R531-I545 WeakPolarHBondContact CB-O 3.42Å; L532-I545 HydrophobicContact CB-CG2 3.83Å; L532-I545 HydrophobicContact CG-CG2 4.42Å; L532-I545 PolarHBondContact N-O 2.86Å; L532-I545 PolarHBondContact O-N 3.25Å; L532-I545 VanDerWaalsContact O-N 3.09Å; V534-I545 HydrophobicContact CG2-CB 4.46Å; V534-I545 HydrophobicContact CG2-CG2 4.13Å; I545-D549 HydrophobicContact CG1-CB 4.49Å; I545-I550 HydrophobicContact CD1-CD1 4.11Å; I545-I550 HydrophobicContact CD1-CG1 3.72Å; I545-I550 HydrophobicContact CG1-CD1 4.12Å; I545-I550 HydrophobicContact CG1-CG1 3.84Å
546	S	94.9	Very high	92.7	Very high	22 Å²	22	34.4 Å²	34.4	15%	0.154	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	163.9	-178.7	79.6	0	0	0	0	112.7	S548 D549 I550	S546-S548 PolarHBondContact O-N 3.01Å; S546-S548 VanDerWaalsContact O-N 3.16Å; S546-S548 PolarHBondContact OG-N 3.28Å; S546-D549 WeakPolarHBondContact CA-OD2 3.33Å; S546-D549 WeakPolarHBondContact CB-OD2 3.35Å; S546-D549 PolarHBondContact N-OD2 2.65Å; S546-D549 PolarHBondContact O-N 3.49Å; S546-D549 VanDerWaalsContact O-N 3.15Å; S546-D549 VanDerWaalsContact OG-CG 3.27Å; S546-D549 PolarHBondContact OG-N 2.6Å; S546-D549 PolarHBondContact OG-OD2 3.06Å; S546-I550 WeakPolarHBondContact O-CG1 3.42Å; S546-I550 PolarHBondContact O-N 3.05Å; S546-I550 VanDerWaalsContact O-N 3.11Å
547	L	95.2	Very high	92	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-57.4	-25.8	171.9	-66.9	168.8	0	0	0	113.4	H401 K402 L405 I524 H530 L551	H401-L547 HydrophobicContact CB-CB 3.78Å; H401-L547 HydrophobicContact CB-CD1 4.33Å; K402-L547 HydrophobicContact CB-CD1 3.71Å; L405-L547 HydrophobicContact CB-CD2 4.31Å; L405-L547 HydrophobicContact CD2-CD2 3.44Å; L405-L547 VanDerWaalsContact CD2-CD2 3.44Å; I524-L547 HydrophobicContact CD1-CD2 3.72Å; I524-L547 HydrophobicContact CD1-CG 3.97Å; I524-L547 HydrophobicContact CG1-CD2 4.12Å; I524-L547 HydrophobicContact CG2-CD2 4.23Å; H530-L547 HydrophobicContact CB-CD1 4.36Å; H530-L547 PolarHBondContact O-N 3.5Å; L547-L551 WeakPolarHBondContact O-CB 3.37Å; L547-L551 WeakPolarHBondContact O-CD1 3.48Å; L547-L551 VanDerWaalsContact O-CG 3.26Å; L547-L551 WeakPolarHBondContact O-CG 3.2Å; L547-L551 PolarHBondContact O-N 3.42Å; L547-L551 VanDerWaalsContact O-N 3.08Å
548	S	93.9	Very high	90.7	Very high	25 Å²	25	25 Å²	25	18%	0.175	15%	0.148	C	C	.	.	H	α-helix	trans	-74.3	-41.5	177	-64.1	0	0	0	0	111.5	H401 S546 L551 Q552	H401-S548 PolarHBondContact CE1-OG 2.84Å; H401-S548 PolarHBondContact ND1-OG 3.12Å; H401-S548 PolarHBondContact NE2-OG 2.84Å; S546-S548 PolarHBondContact O-N 3.01Å; S546-S548 VanDerWaalsContact O-N 3.16Å; S546-S548 PolarHBondContact OG-N 3.28Å; S548-L551 PolarHBondContact O-N 3.24Å; S548-Q552 WeakPolarHBondContact O-CB 3.37Å; S548-Q552 PolarHBondContact O-N 3.43Å
549	D	94.3	Very high	89	Confident	39 Å²	39	23.4 Å²	23.4	21%	0.209	13%	0.134	C	C	.	.	H	α-helix	trans	-65.3	-42.9	177.8	-46	-56.8	0	0	0	110.5	I430 I545 S546 Q552 A553	I430-D549 HydrophobicContact CG2-CB 4.08Å; I545-D549 HydrophobicContact CG1-CB 4.49Å; S546-D549 WeakPolarHBondContact CA-OD2 3.33Å; S546-D549 WeakPolarHBondContact CB-OD2 3.35Å; S546-D549 PolarHBondContact N-OD2 2.65Å; S546-D549 PolarHBondContact O-N 3.49Å; S546-D549 VanDerWaalsContact O-N 3.15Å; S546-D549 VanDerWaalsContact OG-CG 3.27Å; S546-D549 PolarHBondContact OG-N 2.6Å; S546-D549 PolarHBondContact OG-OD2 3.06Å; D549-Q552 PolarHBondContact O-N 2.65Å; D549-A553 WeakPolarHBondContact O-CB 3.49Å; D549-A553 PolarHBondContact O-N 3.43Å
550	I	94.1	Very high	86.9	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-51.7	174.7	-66.5	170.8	0	0	0	110.7	L405 I520 V521 I524 I545 S546 Q552 A553 L554	L405-I550 HydrophobicContact CD1-CG2 3.94Å; L405-I550 HydrophobicContact CD2-CG2 4.03Å; I520-I550 HydrophobicContact CG2-CD1 4.38Å; V521-I550 HydrophobicContact CG2-CG2 3.96Å; I524-I550 HydrophobicContact CD1-CD1 3.92Å; I524-I550 HydrophobicContact CG2-CD1 3.95Å; I545-I550 HydrophobicContact CD1-CD1 4.11Å; I545-I550 HydrophobicContact CD1-CG1 3.72Å; I545-I550 HydrophobicContact CG1-CD1 4.12Å; I545-I550 HydrophobicContact CG1-CG1 3.84Å; S546-I550 WeakPolarHBondContact O-CG1 3.42Å; S546-I550 PolarHBondContact O-N 3.05Å; S546-I550 VanDerWaalsContact O-N 3.11Å; I550-Q552 VanDerWaalsContact C-N 3.28Å; I550-Q552 PolarHBondContact O-N 3.02Å; I550-A553 PolarHBondContact O-N 2.68Å; I550-L554 HydrophobicContact CG2-CD1 3.7Å; I550-L554 HydrophobicContact CG2-CG 4.11Å; I550-L554 WeakPolarHBondContact O-CB 3.06Å; I550-L554 VanDerWaalsContact O-CG 3.28Å; I550-L554 WeakPolarHBondContact O-CG 3.08Å; I550-L554 PolarHBondContact O-N 2.82Å
551	L	93.6	Very high	84.6	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.9	-29.5	-179	-72.3	167.9	0	0	0	112.8	V374 H401 I404 L405 L547 S548 I555	V374-L551 HydrophobicContact CG1-CB 4.27Å; H401-L551 HydrophobicContact CB-CD1 3.77Å; I404-L551 HydrophobicContact CB-CD1 4.3Å; I404-L551 HydrophobicContact CG2-CD1 4.22Å; I404-L551 HydrophobicContact CG2-CD2 3.84Å; L405-L551 HydrophobicContact CB-CD2 4.25Å; L405-L551 HydrophobicContact CD1-CD2 3.96Å; L547-L551 WeakPolarHBondContact O-CB 3.37Å; L547-L551 WeakPolarHBondContact O-CD1 3.48Å; L547-L551 VanDerWaalsContact O-CG 3.26Å; L547-L551 WeakPolarHBondContact O-CG 3.2Å; L547-L551 PolarHBondContact O-N 3.42Å; L547-L551 VanDerWaalsContact O-N 3.08Å; S548-L551 PolarHBondContact O-N 3.24Å; L551-I555 HydrophobicContact CB-CD1 4.49Å; L551-I555 HydrophobicContact CD2-CD1 3.62Å; L551-I555 WeakPolarHBondContact O-CB 3.22Å; L551-I555 PolarHBondContact O-N 2.91Å
552	Q	92.7	Very high	82.5	Confident	89 Å²	89	27 Å²	27	42%	0.416	16%	0.155	S	C	.	.	I	π-helix	trans	-64.5	-49.4	171.1	-170.9	171.8	-25.6	0	0	111	I378 S548 D549 I550 L554 L556 T557	I378-Q552 HydrophobicContact CD1-CB 3.93Å; S548-Q552 WeakPolarHBondContact O-CB 3.37Å; S548-Q552 PolarHBondContact O-N 3.43Å; D549-Q552 PolarHBondContact O-N 2.65Å; I550-Q552 VanDerWaalsContact C-N 3.28Å; I550-Q552 PolarHBondContact O-N 3.02Å; Q552-L554 PolarHBondContact O-N 2.67Å; Q552-L556 HydrophobicContact CG-CB 4.43Å; Q552-L556 PolarHBondContact O-N 3.22Å; Q552-T557 PolarHBondContact O-N 3.28Å
553	A	90.8	Very high	79.9	Confident	11 Å²	11	29 Å²	29	9%	0.091	16%	0.162	C	C	.	.	I	π-helix	trans	-72	-24.2	-177.5	0	0	0	0	0	114.7	I430 D549 I550 T557 P558 A559	I430-A553 HydrophobicContact CD1-CB 3.53Å; I430-A553 HydrophobicContact CG1-CB 3.69Å; I430-A553 HydrophobicContact CG2-CB 4.17Å; D549-A553 WeakPolarHBondContact O-CB 3.49Å; D549-A553 PolarHBondContact O-N 3.43Å; I550-A553 PolarHBondContact O-N 2.68Å; A553-T557 WeakPolarHBondContact CA-O 3.48Å; A553-P558 WeakPolarHBondContact O-CA 3.49Å; A553-A559 PolarHBondContact O-N 3.11Å
554	L	89	Confident	77.2	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-85.1	-27.6	176	-68.8	-177	0	0	0	113.5	Y261 L405 L408 F420 M421 L517 V521 I550 Q552	Y261-L554 WeakPolarHBondContact CB-O 3.37Å; Y261-L554 HydrophobicContact CD2-CB 4.49Å; Y261-L554 HydrophobicContact CD2-CD2 4.09Å; Y261-L554 HydrophobicContact CE2-CD2 4.12Å; L405-L554 HydrophobicContact CD1-CD1 3.82Å; L408-L554 HydrophobicContact CD2-CD1 4.03Å; F420-L554 HydrophobicContact CE2-CD2 3.86Å; M421-L554 HydrophobicContact SD-CD2 3.66Å; L517-L554 HydrophobicContact CD2-CD2 3.94Å; V521-L554 HydrophobicContact CG2-CD1 4.42Å; I550-L554 HydrophobicContact CG2-CD1 3.7Å; I550-L554 HydrophobicContact CG2-CG 4.11Å; I550-L554 WeakPolarHBondContact O-CB 3.06Å; I550-L554 VanDerWaalsContact O-CG 3.28Å; I550-L554 WeakPolarHBondContact O-CG 3.08Å; I550-L554 PolarHBondContact O-N 2.82Å; Q552-L554 PolarHBondContact O-N 2.67Å
555	I	85.9	Confident	74.6	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	I	π-helix	trans	-129.2	-44	-162.2	-57	166.2	0	0	0	113.7	M262 M265 F371 V374 L551	M262-I555 WeakPolarHBondContact CE-O 3.26Å; M265-I555 HydrophobicContact CB-CG2 4.22Å; M265-I555 HydrophobicContact CE-CD1 3.67Å; M265-I555 HydrophobicContact CG-CD1 3.87Å; M265-I555 HydrophobicContact CG-CG1 4.14Å; M265-I555 HydrophobicContact CG-CG2 4.38Å; M265-I555 HydrophobicContact SD-CD1 4.39Å; F371-I555 HydrophobicContact CD2-CG2 3.6Å; F371-I555 HydrophobicContact CE2-CG2 4.12Å; V374-I555 HydrophobicContact CB-CD1 4.46Å; V374-I555 HydrophobicContact CG1-CB 4.34Å; V374-I555 HydrophobicContact CG1-CD1 4.12Å; V374-I555 HydrophobicContact CG1-CG2 4.31Å; V374-I555 HydrophobicContact CG2-CD1 3.91Å; L551-I555 HydrophobicContact CB-CD1 4.49Å; L551-I555 HydrophobicContact CD2-CD1 3.62Å; L551-I555 WeakPolarHBondContact O-CB 3.22Å; L551-I555 PolarHBondContact O-N 2.91Å
556	L	78.8	Confident	72.1	Confident	39 Å²	39	47.3 Å²	47.3	20%	0.204	25%	0.253	C	S	.	.	I	π-helix	trans	-95.3	-35.5	-173.7	-60.5	-174.3	0	0	0	112.9	F371 V374 Y375 I378 Q552	F371-L556 HydrophobicContact CD2-CD2 4.37Å; F371-L556 HydrophobicContact CE2-CD2 3.79Å; F371-L556 HydrophobicContact CZ-CD2 4.02Å; V374-L556 HydrophobicContact CG1-CD1 4.43Å; V374-L556 HydrophobicContact CG1-CD2 4.36Å; V374-L556 HydrophobicContact CG1-CG 4.17Å; Y375-L556 HydrophobicContact CD2-CD1 4.42Å; Y375-L556 HydrophobicContact CD2-CD2 4.2Å; I378-L556 HydrophobicContact CB-CD1 4.08Å; I378-L556 HydrophobicContact CD1-CD1 3.6Å; I378-L556 HydrophobicContact CD1-CG 4.35Å; I378-L556 HydrophobicContact CG1-CD1 4.43Å; I378-L556 HydrophobicContact CG2-CD1 4.11Å; Q552-L556 HydrophobicContact CG-CB 4.43Å; Q552-L556 PolarHBondContact O-N 3.22Å
557	T	79.3	Confident	69.7	Low	55 Å²	55	54.1 Å²	54.1	34%	0.337	28%	0.282	S	S	.	.	S	Bend	trans	-137.8	82.3	175.6	-49.1	0	0	0	0	107	Q552 A553 A559 K562	Q552-T557 PolarHBondContact O-N 3.28Å; A553-T557 WeakPolarHBondContact CA-O 3.48Å; T557-A559 PolarHBondContact O-N 2.74Å; T557-A559 VanDerWaalsContact O-N 3.08Å; T557-K562 HydrophobicContact CG2-CG 4.45Å
558	P	65.5	Low	67	Low	4 Å²	4	59.3 Å²	59.3	3%	0.026	31%	0.314	C	S	.	.			trans	-50	118.4	176.4	-26.6	35.5	0	0	0	109.2	M262 F420 A553 G560 A561	M262-P558 HydrophobicContact CE-CG 4.27Å; F420-P558 HydrophobicContact CE1-CB 4.04Å; A553-P558 WeakPolarHBondContact O-CA 3.49Å; P558-G560 PolarHBondContact O-N 3.23Å; P558-A561 VanDerWaalsContact O-CB 3.23Å; P558-A561 WeakPolarHBondContact O-CB 3.15Å; P558-A561 PolarHBondContact O-N 3.25Å
559	A	57.9	Low	64	Low	15 Å²	15	70.5 Å²	70.5	12%	0.124	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-56.9	-32.8	-160.3	0	0	0	0	0	114.6	L428 I430 A553 T557 A561	L428-A559 HydrophobicContact CB-CB 4.48Å; L428-A559 HydrophobicContact CD2-CB 3.53Å; I430-A559 HydrophobicContact CD1-CB 4.43Å; A553-A559 PolarHBondContact O-N 3.11Å; T557-A559 PolarHBondContact O-N 2.74Å; T557-A559 VanDerWaalsContact O-N 3.08Å; A559-A561 VanDerWaalsContact C-N 3.26Å; A559-A561 PolarHBondContact O-N 2.96Å
560	G	48.1	Very low	62.5	Low	21 Å²	21	72.1 Å²	72.1	22%	0.216	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-70.8	-6.9	175.2	0	0	0	0	0	116.1	P558	P558-G560 PolarHBondContact O-N 3.23Å
561	A	47.7	Very low	60.8	Low	38 Å²	38	75.8 Å²	75.8	31%	0.314	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-67.1	-42.8	176.6	0	0	0	0	0	111.7	P558 A559 Q563 K564	P558-A561 VanDerWaalsContact O-CB 3.23Å; P558-A561 WeakPolarHBondContact O-CB 3.15Å; P558-A561 PolarHBondContact O-N 3.25Å; A559-A561 VanDerWaalsContact C-N 3.26Å; A559-A561 PolarHBondContact O-N 2.96Å; A561-Q563 PolarHBondContact O-N 3Å; A561-Q563 VanDerWaalsContact O-N 3.16Å; A561-K564 PolarHBondContact O-N 2.96Å
562	K	48.7	Very low	59	Low	140 Å²	140	80.1 Å²	80.1	61%	0.609	41%	0.413	S	S	*	.	H	α-helix	trans	-63.1	-22.2	-176.8	-72.3	-170.3	171.8	-170.1	0	114.8	T557	T557-K562 HydrophobicContact CG2-CG 4.45Å
563	Q	41.4	Very low	57	Low	80 Å²	80	79.5 Å²	79.5	37%	0.374	41%	0.412	S	S	.	.	H	α-helix	trans	-75.6	-25	-179.1	-71.1	176.8	-20.4	0	0	112.2	A561 T566	A561-Q563 PolarHBondContact O-N 3Å; A561-Q563 VanDerWaalsContact O-N 3.16Å; Q563-T566 PolarHBondContact O-OG1 3.24Å
564	K	39.3	Very low	54.9	Low	149 Å²	149	83.8 Å²	83.8	65%	0.648	43%	0.433	S	S	*	.	H	α-helix	trans	-78.3	-30.2	-177.9	-76.6	-170.4	171.8	-175.7	0	114.6	A561 T566	A561-K564 PolarHBondContact O-N 2.96Å; K564-T566 VanDerWaalsContact C-N 3.26Å; K564-T566 PolarHBondContact O-N 3.35Å
565	E	40.4	Very low	52.7	Low	150 Å²	150	89.4 Å²	89.4	70%	0.701	46%	0.461	S	S	*	.	H	α-helix	trans	-70.3	-26.5	179.3	-66.2	170.9	169.7	0	0	111.7	T568	E565-T568 PolarHBondContact O-OG1 3.49Å
566	T	41.9	Very low	50.3	Low	111 Å²	111	95.8 Å²	95.8	68%	0.681	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	2.5	-178.6	46	0	0	0	0	115.3	Q563 K564	Q563-T566 PolarHBondContact O-OG1 3.24Å; K564-T566 VanDerWaalsContact C-N 3.26Å; K564-T566 PolarHBondContact O-N 3.35Å
567	E	44.8	Very low	48.1	Very low	164 Å²	164	100.2 Å²	100.2	77%	0.766	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	15.9	177.2	-66.2	-172.2	147.7	0	0	112.6
568	T	38.3	Very low	45.5	Very low	115 Å²	115	103.9 Å²	103.9	71%	0.706	53%	0.532	S	S	*	.			trans	-129.9	17.7	-172.1	46.9	0	0	0	0	116	E565	E565-T568 PolarHBondContact O-OG1 3.49Å
569	E	31.9	Very low	43.7	Very low	260 Å²	260	113 Å²	113	100%	1.215	58%	0.578	S	S	*	*			trans	-121.1	0	160.1	-73.5	-165.3	129.4	0	0	110.4

Retrieved 569 of 569 residues in 237.3 ms (Link to these results)

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